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Gamma-aminobutyric acid receptor subunit pi

Pi subunit of the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA). GABA-gated chloride channels, also named GABA(A) receptors (GABAAR), consist of five subunits arranged around a central pore and contain GABA active binding site(s) located at the alpha and beta subunit interfaces. When activated by GABA, GABAARs selectively allow the flow of chloride anions across the cell membrane down their electrochemical gradient. Pi-containing GABAARs are mostly located in peripheral tissues. In the uterus, pi subunits modulate uterus contraction by altering the sensitivity of GABAARs to pregnanolone. In the lungs, pi-containing GABAARs contribute to pulmonary fluid transport via luminal secretion of chloride.

AlphaFold DB (A0A2I3MQF3), UniProt , Accession A0A096ND13, Species PAPAN (Papio anubis, Olive baboon), Gene GABRP, Length 440 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	48.2	Very low	46.6	Very low	236 Å²	236	145.3 Å²	145.3	100%	1.163	76%	0.762	S	S	*	*				0	72.6	0	-79.1	157.4	62	0	0	110.1
2	N	47.2	Very low	46.4	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	76%	0.761	S	S	*	*			trans	-159.3	38.3	177.5	-106.7	-3.5	0	0	0	113.4
3	Y	43.7	Very low	46	Very low	226 Å²	226	139.7 Å²	139.7	89%	0.886	74%	0.743	S	S	*	*	S	Bend	trans	-129.9	9.8	179.9	-79.6	-77.6	0	0	0	114.8
4	S	48.3	Very low	45.5	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	74%	0.742	S	S	*	*	S	Bend	trans	-102.6	-5	-178.3	-161.5	0	0	0	0	115.1
5	L	49.1	Very low	45	Very low	146 Å²	146	143.4 Å²	143.4	76%	0.764	75%	0.749	S	S	*	*	S	Bend	trans	-93.4	-17.8	-176.6	-100.2	120.7	0	0	0	114.7
6	H	46.8	Very low	44.8	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.755	75%	0.746	S	S	*	*	H	α-helix	trans	-82.8	-21.1	-179.7	-91.2	-65.3	0	0	0	114.5
7	L	47.5	Very low	44.3	Very low	142 Å²	142	143.7 Å²	143.7	74%	0.743	75%	0.751	S	S	*	*	H	α-helix	trans	-78	-25.7	179.9	-112.7	85.4	0	0	0	113.6
8	A	47.4	Very low	43.8	Very low	65 Å²	65	149.3 Å²	149.3	54%	0.537	76%	0.761	S	S	.	*	H	α-helix	trans	-77.1	-26.4	-178.6	0	0	0	0	0	113
9	F	46.8	Very low	43	Very low	173 Å²	173	151.4 Å²	151.4	76%	0.759	77%	0.77	S	S	*	*	H	α-helix	trans	-80.3	-21.7	-179.4	-112.3	-87.7	0	0	0	113.8
10	V	47	Very low	42.4	Very low	93 Å²	93	149.9 Å²	149.9	56%	0.564	77%	0.772	S	S	*	*	H	α-helix	trans	-85.5	-21.9	-177.6	179.1	0	0	0	0	112.6	S13	V10-S13 PolarHBondContact O-OG 3.37Å
11	C	40.9	Very low	42.1	Very low	99 Å²	99	150 Å²	150	67%	0.669	77%	0.773	S	S	*	*	S	Bend	trans	-79.6	-15.7	176	-80.7	0	0	0	0	114.2
12	L	43.4	Very low	41.2	Very low	144 Å²	144	147.4 Å²	147.4	75%	0.754	76%	0.758	S	S	*	*	S	Bend	trans	-92.8	-14.1	-178.2	-97.8	134.5	0	0	0	114.2
13	S	41.7	Very low	40.8	Very low	74 Å²	74	144 Å²	144	52%	0.517	76%	0.757	S	S	.	*	S	Bend	trans	-91.1	-4.8	178.2	58.3	0	0	0	0	114.4	V10	V10-S13 PolarHBondContact O-OG 3.37Å
14	L	38.9	Very low	40	Very low	141 Å²	141	140.4 Å²	140.4	74%	0.738	75%	0.754	S	S	*	*	S	Bend	trans	-96.7	0.7	-178.4	-79.7	165.4	0	0	0	114.3
15	F	37.8	Very low	39.5	Very low	194 Å²	194	144 Å²	144	85%	0.851	76%	0.759	S	S	*	*	S	Bend	trans	-102.4	2.7	176.5	-98.8	-81.3	0	0	0	114.6
16	T	41.5	Very low	38.5	Very low	114 Å²	114	144 Å²	144	70%	0.699	76%	0.758	S	S	*	*	S	Bend	trans	-107.3	0.7	-174.7	44.2	0	0	0	0	115.9
17	E	37.5	Very low	37.6	Very low	178 Å²	178	143 Å²	143	83%	0.832	76%	0.759	S	S	*	*	S	Bend	trans	-134.1	85	178.9	-72.9	-169.4	172.1	0	0	112.7
18	R	35	Very low	36.7	Very low	245 Å²	245	141.4 Å²	141.4	93%	0.925	76%	0.755	S	S	*	*			trans	161.6	97.5	141.8	-93.8	175	179.8	-145.2	0.5	109.6
19	M	28.3	Very low	35.8	Very low	188 Å²	188	146.6 Å²	146.6	93%	0.926	77%	0.768	S	S	*	*			trans	-158.6	77.8	136.7	-82.4	-122.4	80.5	0	0	107.4
20	C	31.1	Very low	35.2	Very low	121 Å²	121	145.1 Å²	145.1	82%	0.818	77%	0.772	S	S	*	*			trans	-103	134.6	154.8	-100.3	0	0	0	0	107.7
21	I	35.2	Very low	34.3	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	77%	0.772	S	S	*	*			trans	132.7	95.3	157.2	-66.3	158.8	0	0	0	109
22	Q	29.1	Very low	34.3	Very low	181 Å²	181	149.4 Å²	149.4	85%	0.846	78%	0.781	S	S	*	*				-171.8	113.3	101.9	-158.1	128.3	-11.3	0	0	108	N24	Q22-N24 PolarHBondContact O-N 3.37Å
23	G	38.8	Very low	34.3	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	78%	0.776	S	S	*	*			trans	-63.8	120	173.2	0	0	0	0	0	110.1
24	N	27.9	Very low	34.1	Very low	151 Å²	151	151.6 Å²	151.6	81%	0.807	80%	0.795	S	S	*	*			trans	-126.4	116.6	150.2	-118.6	2.2	0	0	0	105.9	Q22 L26	Q22-N24 PolarHBondContact O-N 3.37Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.42Å
25	Q	37	Very low	34.4	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	78%	0.784	S	S	*	*			trans	-60.6	96.6	169	-76.7	177	-38.2	0	0	108.2
26	L	28.7	Very low	34.7	Very low	145 Å²	145	147 Å²	147	76%	0.759	77%	0.774	S	S	*	*			trans	-95.1	96.7	149.7	-118	96	0	0	0	106	N24 V28	N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.42Å; L26-V28 HydrophobicContact CD2-CG2 4.21Å; L26-V28 PolarHBondContact O-N 2.98Å
27	N	27	Very low	34.7	Very low	142 Å²	142	146 Å²	146	76%	0.759	77%	0.772	S	S	*	*			trans	-59.1	89.3	156	-77.4	-20.2	0	0	0	106.7	E29	N27-E29 PolarHBondContact O-N 3.09Å
28	V	29.8	Very low	35.4	Very low	109 Å²	109	141.1 Å²	141.1	66%	0.661	75%	0.751	S	S	*	*			trans	-76.7	85.3	155.9	-178.7	0	0	0	0	104.2	L26 V30	L26-V28 HydrophobicContact CD2-CG2 4.21Å; L26-V28 PolarHBondContact O-N 2.98Å; V28-V30 PolarHBondContact O-N 3.03Å
29	E	28.2	Very low	36.2	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	75%	0.749	S	S	*	*			trans	-43.7	115.1	148.9	-77.3	179.5	148.3	0	0	105.4	N27 G31	N27-E29 PolarHBondContact O-N 3.09Å; E29-G31 PolarHBondContact O-N 3.21Å
30	V	33.6	Very low	38	Very low	141 Å²	141	129.3 Å²	129.3	86%	0.855	73%	0.729	S	S	*	*			trans	-65.3	84.6	164.7	174.9	0	0	0	0	104.6	V28 R32	V28-V30 PolarHBondContact O-N 3.03Å; V30-R32 PolarHBondContact O-N 2.83Å
31	G	29.6	Very low	40	Very low	54 Å²	54	124.6 Å²	124.6	56%	0.557	70%	0.695	S	S	*	*			trans	-54.7	114.4	173.5	0	0	0	0	0	106.5	E29 S33	E29-G31 PolarHBondContact O-N 3.21Å; G31-S33 PolarHBondContact O-N 2.93Å
32	R	40.1	Very low	41.8	Very low	228 Å²	228	119.9 Å²	119.9	86%	0.86	67%	0.67	S	S	*	*	S	Bend	trans	-53.2	73.8	156.7	-177.7	-173.3	-173.6	163.5	1.6	108.9	V30	V30-R32 PolarHBondContact O-N 2.83Å
33	S	43.3	Very low	44.1	Very low	92 Å²	92	118 Å²	118	64%	0.643	67%	0.665	S	S	*	*			trans	-162.5	62.3	-179.9	-166.7	0	0	0	0	111.8	G31	G31-S33 PolarHBondContact O-N 2.93Å
34	D	38.3	Very low	46	Very low	173 Å²	173	115.9 Å²	115.9	93%	0.925	64%	0.636	S	S	*	*			trans	-125	54.1	142.4	-81.8	-33.7	0	0	0	107.7	L36	D34-L36 PolarHBondContact O-N 3.13Å
35	K	44.6	Very low	48.5	Very low	116 Å²	116	110.2 Å²	110.2	50%	0.504	61%	0.607	S	S	.	*			trans	-75.7	112	156.9	-64.8	-172.4	-176.1	178.5	0	105.9	S37 E42	K35-S37 PolarHBondContact O-N 3.48Å; K35-E42 WeakPolarHBondContact CB-OE1 3.48Å; K35-E42 HydrophobicContact CD-CG 4.28Å; K35-E42 WeakPolarHBondContact CD-OE2 3.41Å; K35-E42 IonicContact NZ-OE2 3.1Å; K35-E42 PolarHBondContact NZ-OE2 3.2Å; K35-E42 VanDerWaalsContact NZ-OE2 3.1Å
36	L	44.5	Very low	50.7	Low	122 Å²	122	105.1 Å²	105.1	64%	0.639	60%	0.596	S	S	*	*			trans	-60.6	94.3	165.3	-169.3	75	0	0	0	107	D34 L38	D34-L36 PolarHBondContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 2.68Å
37	S	42	Very low	53.3	Low	93 Å²	93	102.3 Å²	102.3	65%	0.65	60%	0.602	S	S	*	*			trans	-76.8	81.7	-167	48.7	0	0	0	0	111.2	K35 P39 E42	K35-S37 PolarHBondContact O-N 3.48Å; S37-P39 WeakPolarHBondContact O-CD 3.43Å; S37-E42 WeakPolarHBondContact CA-OE1 3.22Å; S37-E42 VanDerWaalsContact CB-OE1 3.28Å; S37-E42 WeakPolarHBondContact CB-OE1 3.38Å
38	L	51.2	Low	56.4	Low	76 Å²	76	97.1 Å²	97.1	40%	0.398	57%	0.572	S	S	.	*			trans	-75	114.6	166.2	-76.1	154.4	0	0	0	108.2	L36 G40 F41 L111	L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 2.68Å; L38-G40 PolarHBondContact O-N 3.04Å; L38-G40 VanDerWaalsContact O-N 3.07Å; L38-F41 HydrophobicContact CB-CB 4.03Å; L38-F41 PolarHBondContact O-N 3.3Å; L38-F41 VanDerWaalsContact O-N 3.14Å; L38-L111 HydrophobicContact CD1-CD1 3.46Å; L38-L111 VanDerWaalsContact CD1-CD1 3.46Å; L38-L111 HydrophobicContact CD1-CD2 4.26Å; L38-L111 HydrophobicContact CD1-CG 4.41Å
39	P	51.3	Low	59.3	Low	134 Å²	134	95.2 Å²	95.2	87%	0.87	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	118.5	179.7	22	-30.5	0	0	0	109.5	S37	S37-P39 WeakPolarHBondContact O-CD 3.43Å
40	G	65.8	Low	62.2	Low	51 Å²	51	90.7 Å²	90.7	53%	0.526	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.9	-36.6	-178.5	0	0	0	0	0	115.3	L38 L44	L38-G40 PolarHBondContact O-N 3.04Å; L38-G40 VanDerWaalsContact O-N 3.07Å; G40-L44 PolarHBondContact O-N 3.49Å
41	F	74.2	Confident	65	Low	21 Å²	21	91.5 Å²	91.5	9%	0.092	53%	0.529	C	S	.	.	H	α-helix	trans	-74.3	-35.5	-178.1	-174	-103.9	0	0	0	112.6	L38 L44 T45 L107 L111 L115 L142	L38-F41 HydrophobicContact CB-CB 4.03Å; L38-F41 PolarHBondContact O-N 3.3Å; L38-F41 VanDerWaalsContact O-N 3.14Å; F41-L44 PolarHBondContact O-N 3.27Å; F41-T45 HydrophobicContact CD1-CG2 4.28Å; F41-T45 HydrophobicContact CD2-CG2 4.47Å; F41-T45 HydrophobicContact CE1-CG2 3.75Å; F41-T45 HydrophobicContact CE2-CG2 3.95Å; F41-T45 HydrophobicContact CZ-CG2 3.58Å; F41-T45 PolarHBondContact O-N 3.4Å; F41-T45 PolarHBondContact O-OG1 3.45Å; F41-L107 HydrophobicContact CD2-CD1 3.94Å; F41-L107 HydrophobicContact CD2-CD2 3.97Å; F41-L107 HydrophobicContact CE2-CD1 3.41Å; F41-L107 VanDerWaalsContact CE2-CD1 3.41Å; F41-L107 HydrophobicContact CE2-CD2 4.27Å; F41-L107 HydrophobicContact CE2-CG 4.49Å; F41-L107 HydrophobicContact CZ-CD1 4.21Å; F41-L111 HydrophobicContact CD1-CD1 4.47Å; F41-L111 HydrophobicContact CD1-CD2 4.15Å; F41-L111 HydrophobicContact CE1-CB 4.31Å; F41-L111 HydrophobicContact CE1-CD1 4.43Å; F41-L111 HydrophobicContact CE1-CD2 3.83Å; F41-L111 HydrophobicContact CE1-CG 4.41Å; F41-L111 HydrophobicContact CZ-CB 4.18Å; F41-L115 HydrophobicContact CE2-CD1 4.44Å; F41-L115 HydrophobicContact CZ-CD1 4.4Å; F41-L115 HydrophobicContact CZ-CD2 4.42Å; F41-L115 HydrophobicContact CZ-CG 4.4Å; F41-L142 HydrophobicContact CE2-CD1 4.45Å
42	E	72.6	Confident	68	Low	54 Å²	54	92 Å²	92	25%	0.252	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-38.6	175.3	-74	-160.8	-153.7	0	0	113	K35 S37 L44 T45 A46	K35-E42 WeakPolarHBondContact CB-OE1 3.48Å; K35-E42 HydrophobicContact CD-CG 4.28Å; K35-E42 WeakPolarHBondContact CD-OE2 3.41Å; K35-E42 IonicContact NZ-OE2 3.1Å; K35-E42 PolarHBondContact NZ-OE2 3.2Å; K35-E42 VanDerWaalsContact NZ-OE2 3.1Å; S37-E42 WeakPolarHBondContact CA-OE1 3.22Å; S37-E42 VanDerWaalsContact CB-OE1 3.28Å; S37-E42 WeakPolarHBondContact CB-OE1 3.38Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-T45 PolarHBondContact O-N 3.46Å; E42-T45 PolarHBondContact O-OG1 3.3Å; E42-A46 PolarHBondContact O-N 2.97Å
43	N	77.2	Confident	70.6	Confident	142 Å²	142	81.5 Å²	81.5	76%	0.759	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-37.5	174.6	-84.7	1.6	0	0	0	111.1	T45 A46	N43-T45 VanDerWaalsContact C-N 3.3Å; N43-T45 PolarHBondContact O-N 3.05Å; N43-A46 PolarHBondContact O-N 2.97Å
44	L	78.9	Confident	73	Confident	31 Å²	31	77.1 Å²	77.1	16%	0.162	45%	0.448	C	S	.	.	H	α-helix	trans	-68.2	-29.6	178	-168.3	62.9	0	0	0	112.9	G40 F41 E42 L97 F99 L142	G40-L44 PolarHBondContact O-N 3.49Å; F41-L44 PolarHBondContact O-N 3.27Å; E42-L44 VanDerWaalsContact C-N 3.31Å; L44-L97 HydrophobicContact CD2-CD2 4.46Å; L44-L97 HydrophobicContact CG-CD2 4.16Å; L44-F99 HydrophobicContact CD1-CB 4.06Å; L44-F99 HydrophobicContact CD1-CD1 4.48Å; L44-F99 HydrophobicContact CD2-CD1 4.18Å; L44-L142 HydrophobicContact CD2-CD1 3.78Å
45	T	81.6	Confident	75.6	Confident	33 Å²	33	71.7 Å²	71.7	20%	0.202	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.5	-178.9	52.6	0	0	0	0	113.4	F41 E42 N43 G47 Y48 L115	F41-T45 HydrophobicContact CD1-CG2 4.28Å; F41-T45 HydrophobicContact CD2-CG2 4.47Å; F41-T45 HydrophobicContact CE1-CG2 3.75Å; F41-T45 HydrophobicContact CE2-CG2 3.95Å; F41-T45 HydrophobicContact CZ-CG2 3.58Å; F41-T45 PolarHBondContact O-N 3.4Å; F41-T45 PolarHBondContact O-OG1 3.45Å; E42-T45 PolarHBondContact O-N 3.46Å; E42-T45 PolarHBondContact O-OG1 3.3Å; N43-T45 VanDerWaalsContact C-N 3.3Å; N43-T45 PolarHBondContact O-N 3.05Å; T45-G47 PolarHBondContact O-N 2.69Å; T45-G47 VanDerWaalsContact O-N 3.15Å; T45-Y48 WeakPolarHBondContact O-CB 3.49Å; T45-Y48 PolarHBondContact O-N 3.05Å; T45-L115 HydrophobicContact CG2-CD2 4.15Å
46	A	83.1	Confident	77.8	Confident	77 Å²	77	72.9 Å²	72.9	64%	0.636	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	114.9	177.3	0	0	0	0	0	110.5	E42 N43 Y48	E42-A46 PolarHBondContact O-N 2.97Å; N43-A46 PolarHBondContact O-N 2.97Å; A46-Y48 VanDerWaalsContact C-N 3.27Å; A46-Y48 PolarHBondContact O-N 2.9Å
47	G	83.4	Confident	80	Confident	86 Å²	86	70.8 Å²	70.8	89%	0.887	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	6.1	-176.2	0	0	0	0	0	114.6	T45 N49	T45-G47 PolarHBondContact O-N 2.69Å; T45-G47 VanDerWaalsContact O-N 3.15Å; G47-N49 PolarHBondContact O-N 3Å
48	Y	90.6	Very high	82.4	Confident	32 Å²	32	68.4 Å²	68.4	13%	0.125	42%	0.422	C	S	.	.			trans	-71.7	117.2	176.9	-172.7	-91.2	0	0	0	111.1	T45 A46 K50 D94 R96 L97 F114 L115 W116	T45-Y48 WeakPolarHBondContact O-CB 3.49Å; T45-Y48 PolarHBondContact O-N 3.05Å; A46-Y48 VanDerWaalsContact C-N 3.27Å; A46-Y48 PolarHBondContact O-N 2.9Å; Y48-K50 HydrophobicContact CD1-CB 4.26Å; Y48-K50 HydrophobicContact CE1-CB 3.94Å; Y48-D94 WeakPolarHBondContact CE2-OD2 3.12Å; Y48-D94 PolarHBondContact OH-OD2 3.18Å; Y48-R96 HydrophobicContact CD2-CB 3.96Å; Y48-R96 HydrophobicContact CE2-CB 4.02Å; Y48-R96 PolarHBondContact OH-NH2 3.4Å; Y48-L97 HydrophobicContact CD2-CD2 3.89Å; Y48-L97 HydrophobicContact CD2-CG 4.47Å; Y48-L97 HydrophobicContact CE2-CD1 4.3Å; Y48-L97 HydrophobicContact CE2-CD2 3.78Å; Y48-L97 HydrophobicContact CE2-CG 3.94Å; Y48-F114 WeakPolarHBondContact CD1-O 3.23Å; Y48-L115 HydrophobicContact CD1-CD2 4.41Å; Y48-L115 HydrophobicContact CE1-CD2 4.05Å; Y48-W116 WeakPolarHBondContact OH-CB 3.43Å; Y48-W116 PolarHBondContact OH-N 2.98Å; Y48-W116 VanDerWaalsContact OH-N 3.11Å
49	N	90.3	Very high	84.5	Confident	70 Å²	70	72 Å²	72	37%	0.374	44%	0.437	S	S	.	.			trans	-95	104.3	172.3	-172.6	-7.4	0	0	0	110.6	G47 F51 L52 R96	G47-N49 PolarHBondContact O-N 3Å; N49-F51 VanDerWaalsContact C-N 3.25Å; N49-F51 PolarHBondContact O-N 3.04Å; N49-F51 WeakPolarHBondContact OD1-CB 3.42Å; N49-F51 WeakPolarHBondContact OD1-CD2 3.28Å; N49-F51 PolarHBondContact OD1-N 2.9Å; N49-L52 HydrophobicContact CB-CD1 4.46Å; N49-L52 PolarHBondContact O-N 2.9Å; N49-R96 PolarHBondContact O-NH1 3.39Å
50	K	90.7	Very high	86.6	Confident	78 Å²	78	67.1 Å²	67.1	34%	0.339	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.4	-179.8	73.9	179	-171.6	-179.5	0	114.9	Y48 L52 E113 W116	Y48-K50 HydrophobicContact CD1-CB 4.26Å; Y48-K50 HydrophobicContact CE1-CB 3.94Å; K50-L52 PolarHBondContact O-N 3.45Å; K50-E113 WeakPolarHBondContact CD-O 3.18Å; K50-E113 PolarHBondContact NZ-O 3.34Å; K50-W116 WeakPolarHBondContact O-CB 3.5Å
51	F	91.3	Very high	88.1	Confident	159 Å²	159	64.9 Å²	64.9	70%	0.697	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.5	-178.4	-57.5	-69.9	0	0	0	112.7	N49	N49-F51 VanDerWaalsContact C-N 3.25Å; N49-F51 PolarHBondContact O-N 3.04Å; N49-F51 WeakPolarHBondContact OD1-CB 3.42Å; N49-F51 WeakPolarHBondContact OD1-CD2 3.28Å; N49-F51 PolarHBondContact OD1-N 2.9Å
52	L	93.1	Very high	89.1	Confident	64 Å²	64	68.1 Å²	68.1	34%	0.335	40%	0.397	S	S	.	.	S	Bend	trans	-110.8	130.9	178.8	-61.8	176.5	0	0	0	110.4	N49 K50 F56 R96	N49-L52 HydrophobicContact CB-CD1 4.46Å; N49-L52 PolarHBondContact O-N 2.9Å; K50-L52 PolarHBondContact O-N 3.45Å; L52-F56 HydrophobicContact CB-CB 4.48Å; L52-F56 HydrophobicContact CD2-CD1 4.39Å; L52-F56 HydrophobicContact CD2-CD2 4.15Å; L52-F56 HydrophobicContact CD2-CE1 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CG 4.23Å; L52-F56 HydrophobicContact CD2-CZ 4.37Å; L52-R96 PolarHBondContact O-NH1 3.31Å; L52-R96 VanDerWaalsContact O-NH1 3.11Å; L52-R96 PolarHBondContact O-NH2 3.07Å
53	R	94.4	Very high	90.3	Very high	8 Å²	8	65.5 Å²	65.5	3%	0.03	39%	0.385	C	S	.	.			trans	-58.1	151.7	171.6	71.1	172.3	-177.5	97.6	-8	111	F56 G58 E59 V61 W116 Y183 D187	R53-F56 HydrophobicContact CG-CB 4.49Å; R53-F56 HydrophobicContact CG-CD2 4.23Å; R53-F56 PolarHBondContact O-N 2.85Å; R53-G58 PolarHBondContact NH2-O 3.08Å; R53-E59 PolarHBondContact NH1-O 2.6Å; R53-V61 HydrophobicContact CB-CG2 4.47Å; R53-W116 HydrophobicContact CB-CD2 4.5Å; R53-W116 HydrophobicContact CB-CH2 4.35Å; R53-W116 HydrophobicContact CB-CZ2 3.62Å; R53-Y183 HydrophobicContact CB-CE1 4.28Å; R53-Y183 HydrophobicContact CG-CE1 4.5Å; R53-D187 VanDerWaalsContact CZ-O 3.32Å; R53-D187 IonicContact CZ-OD1 3.7Å; R53-D187 IonicContact NE-OD1 2.9Å; R53-D187 PolarHBondContact NE-OD1 3.1Å; R53-D187 PolarHBondContact NH1-O 3.38Å; R53-D187 VanDerWaalsContact NH1-O 3.15Å; R53-D187 IonicContact NH2-OD1 3.62Å; R53-D187 PolarHBondContact NH2-OD1 3.14Å
54	P	94.1	Very high	91.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	144.5	167	-21.4	29.7	0	0	0	110.7	F56 V61 D94 W116	P54-F56 VanDerWaalsContact C-N 3.26Å; P54-F56 PolarHBondContact O-N 3.17Å; P54-V61 HydrophobicContact CB-CG2 4.06Å; P54-V61 HydrophobicContact CG-CG2 4.35Å; P54-V61 WeakPolarHBondContact O-CG2 3.26Å; P54-D94 HydrophobicContact CB-CB 4.38Å; P54-D94 HydrophobicContact CG-CB 3.99Å; P54-W116 HydrophobicContact CG-CE3 3.91Å; P54-W116 HydrophobicContact CG-CZ3 4.01Å
55	N	91.8	Very high	92.2	Very high	59 Å²	59	58.1 Å²	58.1	32%	0.316	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.7	-179.5	-53.6	-20.9	0	0	0	114	G57 G58	N55-G57 PolarHBondContact O-N 2.68Å; N55-G58 WeakPolarHBondContact O-CA 3.42Å; N55-G58 PolarHBondContact O-N 3.38Å
56	F	92.4	Very high	92.9	Very high	141 Å²	141	57.4 Å²	57.4	62%	0.618	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	127	176.9	-174.6	-99.9	0	0	0	111.7	L52 R53 P54 G58	L52-F56 HydrophobicContact CB-CB 4.48Å; L52-F56 HydrophobicContact CD2-CD1 4.39Å; L52-F56 HydrophobicContact CD2-CD2 4.15Å; L52-F56 HydrophobicContact CD2-CE1 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CG 4.23Å; L52-F56 HydrophobicContact CD2-CZ 4.37Å; R53-F56 HydrophobicContact CG-CB 4.49Å; R53-F56 HydrophobicContact CG-CD2 4.23Å; R53-F56 PolarHBondContact O-N 2.85Å; P54-F56 VanDerWaalsContact C-N 3.26Å; P54-F56 PolarHBondContact O-N 3.17Å; F56-G58 VanDerWaalsContact C-N 3.3Å
57	G	89.8	Confident	93.5	Very high	77 Å²	77	53.8 Å²	53.8	79%	0.794	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	2.3	-174.8	0	0	0	0	0	115.1	N55	N55-G57 PolarHBondContact O-N 2.68Å
58	G	93.3	Very high	94.1	Very high	44 Å²	44	51.4 Å²	51.4	45%	0.454	28%	0.28	S	S	.	.	S	Bend	trans	-120.8	-150.2	173.4	0	0	0	0	0	112.3	R53 N55 F56	R53-G58 PolarHBondContact NH2-O 3.08Å; N55-G58 WeakPolarHBondContact O-CA 3.42Å; N55-G58 PolarHBondContact O-N 3.38Å; F56-G58 VanDerWaalsContact C-N 3.3Å
59	E	94.9	Very high	94.4	Very high	150 Å²	150	50.2 Å²	50.2	70%	0.701	28%	0.276	S	S	*	.	S	Bend	trans	-54.9	150.4	-176.8	-64.6	-62.2	139	0	0	113.7	R53	R53-E59 PolarHBondContact NH1-O 2.6Å
60	P	95.5	Very high	94.6	Very high	32 Å²	32	48.9 Å²	48.9	21%	0.208	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-60	142.6	174.9	22	-31.2	0	0	0	111.4	Q62 N186 D187	P60-Q62 PolarHBondContact O-N 3.3Å; P60-N186 WeakPolarHBondContact CB-O 3.31Å; P60-D187 CarbonylContact C-O 3.55Å; P60-D187 WeakPolarHBondContact CA-O 3.3Å
61	V	96.5	Very high	94.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.2	173.6	-174.9	0	0	0	0	108.7	R53 P54 I63 W92 W116 D187 E189	R53-V61 HydrophobicContact CB-CG2 4.47Å; P54-V61 HydrophobicContact CB-CG2 4.06Å; P54-V61 HydrophobicContact CG-CG2 4.35Å; P54-V61 WeakPolarHBondContact O-CG2 3.26Å; V61-I63 HydrophobicContact CG1-CD1 4.36Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; V61-I63 PolarHBondContact O-N 2.92Å; V61-W92 HydrophobicContact CG1-CB 4.04Å; V61-W116 HydrophobicContact CG1-CH2 4.42Å; V61-D187 PolarHBondContact N-O 2.96Å; V61-E189 PolarHBondContact O-N 3.46Å
62	Q	96.3	Very high	94.9	Very high	89 Å²	89	40.6 Å²	40.6	42%	0.416	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.8	174.3	-64.8	-65.8	-26.8	0	0	109.8	P60 E189	P60-Q62 PolarHBondContact O-N 3.3Å; Q62-E189 PolarHBondContact NE2-OE2 3.18Å
63	I	97.4	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.6	179.3	-46.5	-166.9	0	0	0	108.6	V61 L65 Q90 R91 W92 W116 P118 V188 E189 F190 T191	V61-I63 HydrophobicContact CG1-CD1 4.36Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; V61-I63 PolarHBondContact O-N 2.92Å; I63-L65 HydrophobicContact CB-CD1 4.26Å; I63-L65 HydrophobicContact CG2-CD1 3.82Å; I63-L65 VanDerWaalsContact O-CD1 3.25Å; I63-L65 WeakPolarHBondContact O-CD1 3.43Å; I63-Q90 HydrophobicContact CG2-CB 4.14Å; I63-R91 CarbonylContact C-O 3.56Å; I63-R91 WeakPolarHBondContact CA-O 3.4Å; I63-W92 HydrophobicContact CG1-CB 4.15Å; I63-W116 HydrophobicContact CD1-CH2 3.97Å; I63-W116 HydrophobicContact CD1-CZ3 4.43Å; I63-P118 HydrophobicContact CD1-CB 3.35Å; I63-P118 HydrophobicContact CD1-CG 3.66Å; I63-P118 HydrophobicContact CG2-CG 4.44Å; I63-V188 HydrophobicContact CD1-CG1 3.61Å; I63-V188 HydrophobicContact CG1-CG1 3.94Å; I63-E189 PolarHBondContact N-O 2.59Å; I63-F190 HydrophobicContact CB-CD1 3.88Å; I63-F190 HydrophobicContact CB-CE1 4.12Å; I63-F190 HydrophobicContact CD1-CE1 4.02Å; I63-F190 HydrophobicContact CG1-CD1 4.42Å; I63-F190 HydrophobicContact CG1-CE1 4.39Å; I63-F190 HydrophobicContact CG2-CE1 4.47Å; I63-F190 WeakPolarHBondContact O-CA 3.48Å; I63-T191 PolarHBondContact O-N 3.45Å
64	A	97.5	Very high	94.5	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.4	178.8	0	0	0	0	0	110.3	Q90 R91 T191 L193	A64-Q90 CarbonylContact O-C 3.51Å; A64-R91 HydrophobicContact CB-CB 4.42Å; A64-R91 PolarHBondContact N-O 2.93Å; A64-R91 PolarHBondContact O-N 3.44Å; A64-T191 CarbonylContact C-O 3.57Å; A64-T191 WeakPolarHBondContact CA-O 3.25Å; A64-L193 HydrophobicContact CB-CB 4.22Å; A64-L193 HydrophobicContact CB-CD1 3.62Å
65	L	97.4	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.3	-177	-75.5	79.2	0	0	0	111.4	I63 L88 R89 Q90 T120 L178 F190 T191 L193 L232	I63-L65 HydrophobicContact CB-CD1 4.26Å; I63-L65 HydrophobicContact CG2-CD1 3.82Å; I63-L65 VanDerWaalsContact O-CD1 3.25Å; I63-L65 WeakPolarHBondContact O-CD1 3.43Å; L65-L88 HydrophobicContact CD2-CD1 3.8Å; L65-L88 HydrophobicContact CG-CD1 4.39Å; L65-R89 CarbonylContact C-O 3.58Å; L65-R89 WeakPolarHBondContact CA-O 3.49Å; L65-Q90 HydrophobicContact CG-CG 4.28Å; L65-T120 HydrophobicContact CD2-CG2 4.3Å; L65-L178 HydrophobicContact CD2-CD1 3.93Å; L65-F190 HydrophobicContact CD1-CB 4.26Å; L65-F190 HydrophobicContact CD1-CD1 4.07Å; L65-F190 HydrophobicContact CD1-CG 4.1Å; L65-T191 PolarHBondContact N-O 3.05Å; L65-L193 PolarHBondContact O-N 3.19Å; L65-L193 VanDerWaalsContact O-N 3.11Å; L65-L232 HydrophobicContact CB-CD1 3.81Å; L65-L232 HydrophobicContact CD1-CD1 3.95Å; L65-L232 HydrophobicContact CD2-CD1 3.98Å; L65-L232 HydrophobicContact CG-CD1 4.1Å
66	T	97.3	Very high	94.4	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.1	165.3	60.8	0	0	0	0	109.2	R89 L193 S198	T66-R89 PolarHBondContact N-O 2.9Å; T66-R89 PolarHBondContact O-N 3.44Å; T66-R89 WeakPolarHBondContact OG1-CB 3.47Å; T66-L193 HydrophobicContact CG2-CB 3.58Å; T66-L193 HydrophobicContact CG2-CD2 3.57Å; T66-L193 HydrophobicContact CG2-CG 4.22Å; T66-S198 CarbonylContact C-O 3.58Å; T66-S198 WeakPolarHBondContact CA-O 3.22Å; T66-S198 WeakPolarHBondContact CB-O 3.47Å
67	L	96.5	Very high	94.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.1	178.3	-71.8	178.4	0	0	0	110.1	I86 L88 L176 L178 W192 S198 V199 R200 L234	L67-I86 HydrophobicContact CD2-CD1 4.28Å; L67-L88 HydrophobicContact CD2-CB 4.2Å; L67-L88 HydrophobicContact CD2-CD1 3.6Å; L67-L88 HydrophobicContact CD2-CG 4.49Å; L67-L176 HydrophobicContact CD1-CD2 3.96Å; L67-L178 HydrophobicContact CD1-CD1 4.06Å; L67-L178 HydrophobicContact CD2-CD1 4.13Å; L67-L178 HydrophobicContact CG-CD1 4.37Å; L67-W192 HydrophobicContact CD1-CH2 3.6Å; L67-W192 HydrophobicContact CD1-CZ3 3.89Å; L67-W192 HydrophobicContact CG-CH2 4.19Å; L67-W192 HydrophobicContact CG-CZ3 3.96Å; L67-S198 PolarHBondContact N-O 3.36Å; L67-S198 VanDerWaalsContact O-O 3.08Å; L67-V199 HydrophobicContact CB-CG2 4.33Å; L67-V199 CarbonylContact O-C 3.6Å; L67-V199 VanDerWaalsContact O-CA 3.27Å; L67-V199 WeakPolarHBondContact O-CA 3.44Å; L67-R200 PolarHBondContact O-N 3.09Å; L67-L234 HydrophobicContact CD1-CD2 4.22Å
68	D	95.8	Very high	93.9	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	110	174.7	-177.5	9.9	0	0	0	107.7	A70 Y87 R89 R200	D68-A70 PolarHBondContact O-N 3.4Å; D68-Y87 PolarHBondContact N-O 2.95Å; D68-Y87 PolarHBondContact O-N 2.77Å; D68-R89 IonicContact OD2-CZ 2.72Å; D68-R89 IonicContact OD2-NH1 2.86Å; D68-R89 IonicContact OD2-NH2 3.5Å; D68-R89 PolarHBondContact OD2-NH2 2.88Å; D68-R200 WeakPolarHBondContact CA-O 3.24Å; D68-R200 HydrophobicContact CB-CB 4.49Å
69	I	95.8	Very high	93.7	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.5	-168.2	-62.1	-177.4	0	0	0	107.6	I72 I86 V199 R200 L202 L205 L234	I69-I72 HydrophobicContact CG2-CG1 4.36Å; I69-I86 HydrophobicContact CG1-CG2 3.97Å; I69-I86 HydrophobicContact CG2-CG2 4.47Å; I69-V199 HydrophobicContact CD1-CG1 4.4Å; I69-R200 PolarHBondContact N-O 3.07Å; I69-L202 HydrophobicContact CB-CD1 3.52Å; I69-L202 HydrophobicContact CD1-CD1 3.15Å; I69-L202 HydrophobicContact CG1-CD1 3.69Å; I69-L202 HydrophobicContact CG2-CD1 3.86Å; I69-L205 HydrophobicContact CG2-CD1 3.82Å; I69-L234 HydrophobicContact CD1-CD2 3.37Å
70	A	93.9	Very high	93.5	Very high	42 Å²	42	32 Å²	32	35%	0.347	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-44.3	-174.9	0	0	0	0	0	111.5	D68 T85 Y87 L205	D68-A70 PolarHBondContact O-N 3.4Å; A70-T85 HydrophobicContact CB-CG2 4.11Å; A70-T85 WeakPolarHBondContact CB-O 3.02Å; A70-T85 PolarHBondContact N-O 3.16Å; A70-Y87 HydrophobicContact CB-CD2 4.05Å; A70-Y87 HydrophobicContact CB-CE2 3.56Å; A70-L205 WeakPolarHBondContact O-CD2 3.38Å
71	S	93.8	Very high	93.5	Very high	46 Å²	46	31.1 Å²	31.1	32%	0.322	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	155.7	178.9	61.3	0	0	0	0	111.6	A84 T85	S71-A84 CarbonylContact O-C 3.56Å; S71-A84 WeakPolarHBondContact O-CA 3.44Å; S71-T85 PolarHBondContact N-O 2.99Å; S71-T85 PolarHBondContact O-N 3.33Å
72	I	94.6	Very high	93.5	Very high	17 Å²	17	31 Å²	31	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.5	162.6	-63.8	168.9	0	0	0	105.2	I69 I75 T83 A84 L205 L207 I212 F236	I69-I72 HydrophobicContact CG2-CG1 4.36Å; I72-I75 HydrophobicContact CG2-CD1 4.24Å; I72-I75 HydrophobicContact CG2-CG1 4Å; I72-T83 CarbonylContact C-O 3.57Å; I72-T83 WeakPolarHBondContact CA-O 3.36Å; I72-A84 HydrophobicContact CG1-CB 4.16Å; I72-L205 HydrophobicContact CD1-CD1 4.05Å; I72-L205 HydrophobicContact CG1-CD1 4.18Å; I72-L207 HydrophobicContact CB-CD2 3.87Å; I72-L207 HydrophobicContact CD1-CD1 4.46Å; I72-L207 HydrophobicContact CG2-CD2 3.87Å; I72-L207 WeakPolarHBondContact O-CD2 3.44Å; I72-I212 HydrophobicContact CD1-CD1 4.3Å; I72-F236 HydrophobicContact CD1-CE2 4.22Å
73	S	89.7	Confident	93.5	Very high	79 Å²	79	27.6 Å²	27.6	55%	0.552	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	-39.5	-167.6	57.1	0	0	0	0	113	T83	S73-T83 PolarHBondContact N-O 3.42Å; S73-T83 WeakPolarHBondContact OG-CB 3.36Å; S73-T83 WeakPolarHBondContact OG-CG2 3.44Å; S73-T83 PolarHBondContact OG-O 3.46Å
74	S	89.6	Confident	93.4	Very high	57 Å²	57	27.8 Å²	27.8	40%	0.399	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.3	-177.9	55.9	0	0	0	0	110.1	Y82 T83	S74-Y82 CarbonylContact O-C 3.21Å; S74-Y82 WeakPolarHBondContact O-CA 3.36Å; S74-T83 PolarHBondContact O-N 2.98Å; S74-T83 WeakPolarHBondContact OG-CB 3.4Å; S74-T83 PolarHBondContact OG-OG1 3.02Å
75	I	92.6	Very high	93.3	Very high	20 Å²	20	27.5 Å²	27.5	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.1	170.9	-62.9	163.3	0	0	0	104.1	I72 M162 L207 Y210 L238	I72-I75 HydrophobicContact CG2-CD1 4.24Å; I72-I75 HydrophobicContact CG2-CG1 4Å; I75-M162 HydrophobicContact CG2-CE 3.59Å; I75-M162 HydrophobicContact CG2-SD 4.28Å; I75-L207 HydrophobicContact CD1-CD2 4.12Å; I75-Y210 HydrophobicContact CB-CE2 4.05Å; I75-Y210 HydrophobicContact CD1-CD2 3.41Å; I75-Y210 VanDerWaalsContact CD1-CD2 3.41Å; I75-Y210 HydrophobicContact CD1-CE2 3.75Å; I75-Y210 HydrophobicContact CD1-CG 3.96Å; I75-Y210 HydrophobicContact CG2-CE2 3.88Å; I75-L238 HydrophobicContact CD1-CD1 3.92Å
76	S	90.9	Very high	93.2	Very high	28 Å²	28	27.6 Å²	27.6	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.4	-179.5	-170.3	0	0	0	0	109.6	S78 N79 M80 D81	S76-S78 PolarHBondContact O-N 3.33Å; S76-N79 PolarHBondContact O-N 3.02Å; S76-N79 PolarHBondContact OG-N 3.47Å; S76-N79 PolarHBondContact OG-ND2 3.47Å; S76-M80 WeakPolarHBondContact O-CA 3.32Å; S76-M80 PolarHBondContact O-N 3.32Å; S76-D81 VanDerWaalsContact CB-OD1 3.26Å; S76-D81 WeakPolarHBondContact CB-OD1 3.45Å; S76-D81 PolarHBondContact N-O 3.49Å; S76-D81 PolarHBondContact O-N 2.91Å; S76-D81 VanDerWaalsContact O-N 3.16Å
77	E	88.1	Confident	93.2	Very high	28 Å²	28	30.8 Å²	30.8	13%	0.131	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.2	172.7	-59.8	87.6	167.1	0	0	111.5	M162 L164 Y210 R240 L296	E77-M162 HydrophobicContact CG-SD 4.33Å; E77-L164 HydrophobicContact CB-CD1 4.16Å; E77-L164 HydrophobicContact CB-CD2 4.5Å; E77-L164 HydrophobicContact CG-CD2 4.29Å; E77-Y210 PolarHBondContact OE1-OH 2.95Å; E77-R240 IonicContact OE1-CZ 2.75Å; E77-R240 IonicContact OE1-NH1 3.75Å; E77-R240 PolarHBondContact OE1-NH1 2.9Å; E77-R240 IonicContact OE1-NH2 2.91Å; E77-L296 HydrophobicContact CB-CD2 4.17Å
78	S	85.5	Confident	93.2	Very high	30 Å²	30	31 Å²	31	21%	0.21	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-52.8	174.4	176.2	0	0	0	0	112.3	S76 P297 T299	S76-S78 PolarHBondContact O-N 3.33Å; S78-P297 WeakPolarHBondContact OG-CG 3.4Å; S78-T299 PolarHBondContact O-OG1 3.48Å
79	N	88.8	Confident	93.2	Very high	90 Å²	90	32.9 Å²	32.9	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.6	-170	-60.7	-23.2	0	0	0	111.5	S76 D81 K126	S76-N79 PolarHBondContact O-N 3.02Å; S76-N79 PolarHBondContact OG-N 3.47Å; S76-N79 PolarHBondContact OG-ND2 3.47Å; N79-D81 VanDerWaalsContact C-N 3.32Å; N79-D81 VanDerWaalsContact CB-OD2 3.27Å; N79-D81 WeakPolarHBondContact CB-OD2 3.21Å; N79-D81 PolarHBondContact O-N 3.29Å; N79-K126 PolarHBondContact O-NZ 2.95Å
80	M	91.2	Very high	93.3	Very high	29 Å²	29	32.7 Å²	32.7	14%	0.143	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	51.5	-174.3	-58.5	-62	-135.7	0	0	110.7	S76 A159 C160 M162 N300	S76-M80 WeakPolarHBondContact O-CA 3.32Å; S76-M80 PolarHBondContact O-N 3.32Å; M80-A159 WeakPolarHBondContact O-CA 3.36Å; M80-C160 CarbonylContact C-O 3.57Å; M80-C160 WeakPolarHBondContact CA-O 3.28Å; M80-C160 WeakPolarHBondContact CB-O 3.42Å; M80-C160 CarbonylContact O-C 3.58Å; M80-C160 PolarHBondContact O-N 2.86Å; M80-M162 HydrophobicContact CE-CB 4.39Å; M80-M162 WeakPolarHBondContact CE-O 3.42Å; M80-M162 HydrophobicContact SD-CB 3.85Å; M80-M162 HydrophobicContact SD-CG 4.42Å; M80-N300 WeakPolarHBondContact CE-ND2 3.05Å
81	D	95	Very high	93.4	Very high	14 Å²	14	35.2 Å²	35.2	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.2	178.3	57.9	40.1	0	0	0	113	S76 N79 K126 T157 V158	S76-D81 VanDerWaalsContact CB-OD1 3.26Å; S76-D81 WeakPolarHBondContact CB-OD1 3.45Å; S76-D81 PolarHBondContact N-O 3.49Å; S76-D81 PolarHBondContact O-N 2.91Å; S76-D81 VanDerWaalsContact O-N 3.16Å; N79-D81 VanDerWaalsContact C-N 3.32Å; N79-D81 VanDerWaalsContact CB-OD2 3.27Å; N79-D81 WeakPolarHBondContact CB-OD2 3.21Å; N79-D81 PolarHBondContact O-N 3.29Å; D81-K126 HydrophobicContact CB-CD 4.35Å; D81-K126 WeakPolarHBondContact OD2-CD 3.45Å; D81-K126 IonicContact OD2-NZ 3.68Å; D81-K126 PolarHBondContact OD2-NZ 2.79Å; D81-T157 HydrophobicContact CB-CG2 3.97Å; D81-V158 VanDerWaalsContact CA-O 3.26Å; D81-V158 WeakPolarHBondContact CA-O 3.37Å; D81-V158 VanDerWaalsContact CB-O 3.23Å; D81-V158 WeakPolarHBondContact CB-O 3.26Å
82	Y	95.4	Very high	93.6	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149	171.3	68.4	-83.5	0	0	0	109.7	S74 A84 T157 V158 C160 C174 K175 F236	S74-Y82 CarbonylContact O-C 3.21Å; S74-Y82 WeakPolarHBondContact O-CA 3.36Å; Y82-A84 HydrophobicContact CD2-CB 4.22Å; Y82-A84 HydrophobicContact CE2-CB 4.16Å; Y82-T157 CarbonylContact O-C 3.47Å; Y82-T157 WeakPolarHBondContact O-CA 3.38Å; Y82-V158 HydrophobicContact CD1-CB 4.5Å; Y82-V158 HydrophobicContact CE1-CB 3.85Å; Y82-V158 HydrophobicContact CE1-CG1 4.07Å; Y82-V158 HydrophobicContact CE2-CB 4.34Å; Y82-V158 PolarHBondContact N-O 2.94Å; Y82-V158 PolarHBondContact O-N 2.96Å; Y82-C160 HydrophobicContact CD1-CB 3.64Å; Y82-C160 HydrophobicContact CE1-CB 3.91Å; Y82-C174 HydrophobicContact CD1-CB 4.16Å; Y82-C174 HydrophobicContact CE1-CB 3.88Å; Y82-K175 PolarHBondContact OH-O 3.41Å; Y82-F236 HydrophobicContact CD2-CZ 4.2Å; Y82-F236 HydrophobicContact CE1-CZ 4.21Å; Y82-F236 HydrophobicContact CE2-CE1 4.25Å; Y82-F236 AromaticContact CE2-CZ 3.72Å; Y82-F236 HydrophobicContact CE2-CZ 3.72Å; Y82-F236 AromaticContact CZ-CZ 3.73Å
83	T	96.3	Very high	93.6	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.104	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.5	175.7	-56.2	0	0	0	0	109.8	I72 S73 S74 T155 T156 T157	I72-T83 CarbonylContact C-O 3.57Å; I72-T83 WeakPolarHBondContact CA-O 3.36Å; S73-T83 PolarHBondContact N-O 3.42Å; S73-T83 WeakPolarHBondContact OG-CB 3.36Å; S73-T83 WeakPolarHBondContact OG-CG2 3.44Å; S73-T83 PolarHBondContact OG-O 3.46Å; S74-T83 PolarHBondContact O-N 2.98Å; S74-T83 WeakPolarHBondContact OG-CB 3.4Å; S74-T83 PolarHBondContact OG-OG1 3.02Å; T83-T155 HydrophobicContact CG2-CG2 3.66Å; T83-T156 CarbonylContact C-O 3.51Å; T83-T156 VanDerWaalsContact CA-O 3.31Å; T83-T156 WeakPolarHBondContact CA-O 3.32Å; T83-T157 PolarHBondContact OG1-OG1 3.1Å
84	A	95.8	Very high	93.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144	179.5	0	0	0	0	0	111.3	S71 I72 Y82 I86 T155 T156	S71-A84 CarbonylContact O-C 3.56Å; S71-A84 WeakPolarHBondContact O-CA 3.44Å; I72-A84 HydrophobicContact CG1-CB 4.16Å; Y82-A84 HydrophobicContact CD2-CB 4.22Å; Y82-A84 HydrophobicContact CE2-CB 4.16Å; A84-I86 HydrophobicContact CB-CG2 4.22Å; A84-T155 WeakPolarHBondContact O-CA 3.5Å; A84-T156 PolarHBondContact N-O 3.31Å; A84-T156 PolarHBondContact O-N 3.3Å
85	T	95.5	Very high	93.9	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.6	166.8	-60.3	0	0	0	0	108.7	A70 S71 R153 I154 T155	A70-T85 HydrophobicContact CB-CG2 4.11Å; A70-T85 WeakPolarHBondContact CB-O 3.02Å; A70-T85 PolarHBondContact N-O 3.16Å; S71-T85 PolarHBondContact N-O 2.99Å; S71-T85 PolarHBondContact O-N 3.33Å; T85-R153 HydrophobicContact CG2-CG 4.13Å; T85-I154 CarbonylContact C-O 3.56Å; T85-I154 WeakPolarHBondContact CA-O 3.11Å; T85-T155 PolarHBondContact OG1-OG1 3.12Å
86	I	95.9	Very high	93.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.8	-175.7	67.6	176.9	0	0	0	110.6	L67 I69 A84 I122 R153 I154 T156 L176	L67-I86 HydrophobicContact CD2-CD1 4.28Å; I69-I86 HydrophobicContact CG1-CG2 3.97Å; I69-I86 HydrophobicContact CG2-CG2 4.47Å; A84-I86 HydrophobicContact CB-CG2 4.22Å; I86-I122 HydrophobicContact CD1-CD1 4.47Å; I86-R153 WeakPolarHBondContact O-CA 3.41Å; I86-I154 HydrophobicContact CG1-CB 4.04Å; I86-I154 PolarHBondContact N-O 3.43Å; I86-I154 PolarHBondContact O-N 2.96Å; I86-T156 HydrophobicContact CD1-CG2 4.47Å; I86-L176 HydrophobicContact CD1-CD2 4.09Å; I86-L176 HydrophobicContact CG2-CD2 4.47Å
87	Y	95.9	Very high	93.8	Very high	86 Å²	86	38.5 Å²	38.5	34%	0.337	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.9	163.3	-61.7	-77.7	0	0	0	108.2	D68 A70 L152 R153	D68-Y87 PolarHBondContact N-O 2.95Å; D68-Y87 PolarHBondContact O-N 2.77Å; A70-Y87 HydrophobicContact CB-CD2 4.05Å; A70-Y87 HydrophobicContact CB-CE2 3.56Å; Y87-L152 CarbonylContact C-O 3.58Å; Y87-L152 VanDerWaalsContact CA-O 3.29Å; Y87-L152 WeakPolarHBondContact CA-O 3.24Å; Y87-R153 HydrophobicContact CD1-CB 3.81Å; Y87-R153 HydrophobicContact CD1-CG 3.89Å; Y87-R153 HydrophobicContact CE1-CB 3.74Å; Y87-R153 HydrophobicContact CE1-CG 3.54Å
88	L	96.4	Very high	93.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.9	175.3	173.4	61.4	0	0	0	108.4	L65 L67 Q90 T120 A151 L152 I154 L178	L65-L88 HydrophobicContact CD2-CD1 3.8Å; L65-L88 HydrophobicContact CG-CD1 4.39Å; L67-L88 HydrophobicContact CD2-CB 4.2Å; L67-L88 HydrophobicContact CD2-CD1 3.6Å; L67-L88 HydrophobicContact CD2-CG 4.49Å; L88-Q90 HydrophobicContact CD1-CG 4.25Å; L88-Q90 HydrophobicContact CD2-CG 4.41Å; L88-Q90 HydrophobicContact CG-CG 4.06Å; L88-T120 HydrophobicContact CD2-CG2 4.27Å; L88-A151 CarbonylContact O-C 3.54Å; L88-A151 VanDerWaalsContact O-CA 3.25Å; L88-A151 WeakPolarHBondContact O-CA 3.48Å; L88-L152 PolarHBondContact N-O 3.4Å; L88-L152 PolarHBondContact O-N 3.49Å; L88-I154 HydrophobicContact CB-CD1 4.32Å; L88-I154 HydrophobicContact CD2-CD1 4.12Å; L88-L178 HydrophobicContact CD1-CD1 4.16Å
89	R	96.9	Very high	94	Very high	77 Å²	77	41.1 Å²	41.1	29%	0.291	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.8	171.2	-35.7	179.1	174	111	5.6	109.8	L65 T66 D68 L149 Y150 A151	L65-R89 CarbonylContact C-O 3.58Å; L65-R89 WeakPolarHBondContact CA-O 3.49Å; T66-R89 PolarHBondContact N-O 2.9Å; T66-R89 PolarHBondContact O-N 3.44Å; T66-R89 WeakPolarHBondContact OG1-CB 3.47Å; D68-R89 IonicContact OD2-CZ 2.72Å; D68-R89 IonicContact OD2-NH1 2.86Å; D68-R89 IonicContact OD2-NH2 3.5Å; D68-R89 PolarHBondContact OD2-NH2 2.88Å; R89-L149 HydrophobicContact CB-CD1 4.08Å; R89-Y150 CarbonylContact C-O 3.54Å; R89-Y150 VanDerWaalsContact CA-O 3.31Å; R89-Y150 WeakPolarHBondContact CA-O 3.41Å; R89-A151 HydrophobicContact CB-CB 4.17Å; R89-A151 HydrophobicContact CG-CB 3.9Å
90	Q	97.3	Very high	93.7	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.2	-178	-48.9	-171.2	31.4	0	0	109	I63 A64 L65 L88 W92 T120 L149 Y150	I63-Q90 HydrophobicContact CG2-CB 4.14Å; A64-Q90 CarbonylContact O-C 3.51Å; L65-Q90 HydrophobicContact CG-CG 4.28Å; L88-Q90 HydrophobicContact CD1-CG 4.25Å; L88-Q90 HydrophobicContact CD2-CG 4.41Å; L88-Q90 HydrophobicContact CG-CG 4.06Å; Q90-W92 HydrophobicContact CB-CE3 4.44Å; Q90-W92 HydrophobicContact CB-CZ3 4.25Å; Q90-T120 PolarHBondContact NE2-OG1 3.1Å; Q90-T120 PolarHBondContact OE1-OG1 3.09Å; Q90-T120 VanDerWaalsContact OE1-OG1 3.08Å; Q90-L149 WeakPolarHBondContact O-CA 3.45Å; Q90-Y150 PolarHBondContact N-O 3.27Å; Q90-Y150 PolarHBondContact O-N 3.49Å
91	R	97.2	Very high	93.3	Very high	95 Å²	95	47.5 Å²	47.5	36%	0.358	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.8	178.3	-66.7	-179.1	-177.8	-171.4	-2.7	109.8	I63 A64 V148 L149	I63-R91 CarbonylContact C-O 3.56Å; I63-R91 WeakPolarHBondContact CA-O 3.4Å; A64-R91 HydrophobicContact CB-CB 4.42Å; A64-R91 PolarHBondContact N-O 2.93Å; A64-R91 PolarHBondContact O-N 3.44Å; R91-V148 VanDerWaalsContact CA-O 3.3Å; R91-V148 WeakPolarHBondContact CA-O 3.36Å; R91-L149 HydrophobicContact CG-CB 4.47Å; R91-L149 HydrophobicContact CG-CD1 3.71Å
92	W	96.8	Very high	92.4	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.2	171.7	68.8	96.7	0	0	0	109.6	V61 I63 Q90 W116 P118 T147 V148 Y150	V61-W92 HydrophobicContact CG1-CB 4.04Å; I63-W92 HydrophobicContact CG1-CB 4.15Å; Q90-W92 HydrophobicContact CB-CE3 4.44Å; Q90-W92 HydrophobicContact CB-CZ3 4.25Å; W92-W116 AromaticContact CD1-CZ3 4Å; W92-W116 HydrophobicContact CD2-CZ3 4.43Å; W92-W116 HydrophobicContact CG-CZ3 4.34Å; W92-W116 WeakPolarHBondContact CZ2-O 3.16Å; W92-W116 AromaticContact NE1-CE3 3.88Å; W92-W116 AromaticContact NE1-CZ3 3.87Å; W92-P118 HydrophobicContact CE3-CG 4.42Å; W92-P118 HydrophobicContact CZ3-CG 4.28Å; W92-T147 CarbonylContact O-C 3.58Å; W92-T147 WeakPolarHBondContact O-CA 3.36Å; W92-V148 HydrophobicContact CD2-CB 4Å; W92-V148 HydrophobicContact CE3-CB 4.43Å; W92-V148 HydrophobicContact CH2-CB 4.18Å; W92-V148 HydrophobicContact CH2-CG1 3.61Å; W92-V148 HydrophobicContact CZ2-CB 3.7Å; W92-V148 HydrophobicContact CZ2-CG1 3.42Å; W92-V148 VanDerWaalsContact CZ2-CG1 3.42Å; W92-V148 HydrophobicContact CZ2-CG2 4.2Å; W92-V148 HydrophobicContact CZ3-CG1 4.23Å; W92-V148 PolarHBondContact N-O 3.23Å; W92-V148 PolarHBondContact O-N 2.88Å; W92-Y150 HydrophobicContact CH2-CG 4.28Å; W92-Y150 VanDerWaalsContact CZ3-CB 3.48Å; W92-Y150 HydrophobicContact CZ3-CG 4.36Å
93	M	95.4	Very high	91.8	Very high	97 Å²	97	61.9 Å²	61.9	48%	0.478	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.7	176.4	-173.3	175.9	67.3	0	0	109.3
94	D	94.8	Very high	91.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.308	C	S	.	.			trans	-119.4	109.1	172.4	-168.3	-17.5	0	0	0	108.9	Y48 P54 R96 L97 G146 V148	Y48-D94 WeakPolarHBondContact CE2-OD2 3.12Å; Y48-D94 PolarHBondContact OH-OD2 3.18Å; P54-D94 HydrophobicContact CB-CB 4.38Å; P54-D94 HydrophobicContact CG-CB 3.99Å; D94-R96 PolarHBondContact O-N 2.96Å; D94-R96 VanDerWaalsContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 WeakPolarHBondContact OD1-CG 3.37Å; D94-R96 IonicContact OD1-CZ 3.53Å; D94-R96 PolarHBondContact OD1-N 3.48Å; D94-R96 IonicContact OD1-NE 3.4Å; D94-R96 PolarHBondContact OD1-NE 3.03Å; D94-R96 IonicContact OD1-NH2 2.83Å; D94-R96 IonicContact OD2-CZ 3.65Å; D94-R96 IonicContact OD2-NE 3.57Å; D94-R96 PolarHBondContact OD2-NE 2.74Å; D94-R96 IonicContact OD2-NH2 2.86Å; D94-R96 PolarHBondContact OD2-NH2 3.02Å; D94-L97 HydrophobicContact CB-CD1 4.05Å; D94-L97 HydrophobicContact CB-CG 4.23Å; D94-L97 PolarHBondContact O-N 3.34Å; D94-L97 VanDerWaalsContact O-N 3.13Å; D94-G146 PolarHBondContact N-O 3.32Å; D94-G146 WeakPolarHBondContact O-CA 3.37Å; D94-V148 HydrophobicContact CB-CG2 4.41Å
95	Q	91.2	Very high	90.8	Very high	122 Å²	122	67.9 Å²	67.9	57%	0.57	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-62.6	-22.5	-178.6	-65.5	-179.1	-14.9	0	0	112.6	L97 V98	Q95-L97 PolarHBondContact O-N 2.9Å; Q95-V98 WeakPolarHBondContact O-CG2 3.29Å
96	R	91.4	Very high	90.5	Very high	86 Å²	86	71.1 Å²	71.1	33%	0.325	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-74.2	-16.3	179.8	-57	170.2	-67.4	-177.1	4.3	112.7	Y48 N49 L52 D94	Y48-R96 HydrophobicContact CD2-CB 3.96Å; Y48-R96 HydrophobicContact CE2-CB 4.02Å; Y48-R96 PolarHBondContact OH-NH2 3.4Å; N49-R96 PolarHBondContact O-NH1 3.39Å; L52-R96 PolarHBondContact O-NH1 3.31Å; L52-R96 VanDerWaalsContact O-NH1 3.11Å; L52-R96 PolarHBondContact O-NH2 3.07Å; D94-R96 PolarHBondContact O-N 2.96Å; D94-R96 VanDerWaalsContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 WeakPolarHBondContact OD1-CG 3.37Å; D94-R96 IonicContact OD1-CZ 3.53Å; D94-R96 PolarHBondContact OD1-N 3.48Å; D94-R96 IonicContact OD1-NE 3.4Å; D94-R96 PolarHBondContact OD1-NE 3.03Å; D94-R96 IonicContact OD1-NH2 2.83Å; D94-R96 IonicContact OD2-CZ 3.65Å; D94-R96 IonicContact OD2-NE 3.57Å; D94-R96 PolarHBondContact OD2-NE 2.74Å; D94-R96 IonicContact OD2-NH2 2.86Å; D94-R96 PolarHBondContact OD2-NH2 3.02Å
97	L	89.7	Confident	90	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.016	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-106.8	21.1	-176.4	-59.3	176.8	0	0	0	112.6	L44 Y48 D94 Q95 L115 L142 V148	L44-L97 HydrophobicContact CD2-CD2 4.46Å; L44-L97 HydrophobicContact CG-CD2 4.16Å; Y48-L97 HydrophobicContact CD2-CD2 3.89Å; Y48-L97 HydrophobicContact CD2-CG 4.47Å; Y48-L97 HydrophobicContact CE2-CD1 4.3Å; Y48-L97 HydrophobicContact CE2-CD2 3.78Å; Y48-L97 HydrophobicContact CE2-CG 3.94Å; D94-L97 HydrophobicContact CB-CD1 4.05Å; D94-L97 HydrophobicContact CB-CG 4.23Å; D94-L97 PolarHBondContact O-N 3.34Å; D94-L97 VanDerWaalsContact O-N 3.13Å; Q95-L97 PolarHBondContact O-N 2.9Å; L97-L115 HydrophobicContact CD1-CD2 3.95Å; L97-L115 HydrophobicContact CD2-CD2 3.82Å; L97-L142 HydrophobicContact CD1-CD2 4.14Å; L97-V148 HydrophobicContact CD1-CG2 3.89Å
98	V	89.6	Confident	89.5	Confident	79 Å²	79	71.2 Å²	71.2	48%	0.479	36%	0.356	S	S	.	.			trans	-75.3	134.5	175.3	174.9	0	0	0	0	109.6	Q95	Q95-V98 WeakPolarHBondContact O-CG2 3.29Å
99	F	87.3	Confident	88.8	Confident	34 Å²	34	71.8 Å²	71.8	15%	0.149	36%	0.36	C	S	.	.			trans	-140.4	153	178.5	61.4	-92.8	0	0	0	111.2	L44 K103 F105 L142 F143 S144	L44-F99 HydrophobicContact CD1-CB 4.06Å; L44-F99 HydrophobicContact CD1-CD1 4.48Å; L44-F99 HydrophobicContact CD2-CD1 4.18Å; F99-K103 VanDerWaalsContact CE2-O 3.31Å; F99-K103 WeakPolarHBondContact CE2-O 3.49Å; F99-K103 WeakPolarHBondContact CZ-O 3.15Å; F99-F105 HydrophobicContact CD2-CD2 4.37Å; F99-F105 AromaticContact CD2-CE2 3.87Å; F99-F105 HydrophobicContact CD2-CE2 3.87Å; F99-F105 HydrophobicContact CE1-CD2 4.25Å; F99-F105 AromaticContact CE2-CD2 3.61Å; F99-F105 HydrophobicContact CE2-CD2 3.61Å; F99-F105 AromaticContact CE2-CE2 3.31Å; F99-F105 HydrophobicContact CE2-CE2 3.31Å; F99-F105 HydrophobicContact CE2-CZ 4.46Å; F99-F105 AromaticContact CZ-CD2 3.53Å; F99-F105 HydrophobicContact CZ-CD2 3.53Å; F99-F105 AromaticContact CZ-CE2 3.78Å; F99-F105 HydrophobicContact CZ-CE2 3.78Å; F99-L142 HydrophobicContact CE1-CB 4.05Å; F99-F143 WeakPolarHBondContact CE1-O 3.4Å; F99-S144 VanDerWaalsContact CZ-CA 3.49Å; F99-S144 PolarHBondContact N-O 3.22Å; F99-S144 WeakPolarHBondContact O-CB 3.43Å
100	E	83.1	Confident	88.2	Confident	199 Å²	199	75.5 Å²	75.5	93%	0.93	37%	0.374	S	S	*	.	S	Bend	trans	-71.3	134.3	-179.8	-63.8	-163.7	155	0	0	112.2
101	G	81.3	Confident	87.7	Confident	54 Å²	54	75.9 Å²	75.9	56%	0.557	38%	0.377	S	S	*	.	S	Bend	trans	130.1	174.9	177.3	0	0	0	0	0	113.5	S144	G101-S144 WeakPolarHBondContact O-CB 3.44Å; G101-S144 PolarHBondContact O-OG 3.01Å
102	N	77.6	Confident	87.1	Confident	158 Å²	158	71.7 Å²	71.7	85%	0.845	36%	0.362	S	S	*	.	S	Bend	trans	-115.8	13.7	178.5	-161.5	13.3	0	0	0	112.8
103	K	81.8	Confident	86.6	Confident	160 Å²	160	77.4 Å²	77.4	70%	0.696	39%	0.389	S	S	*	.			trans	-104.4	137.7	-179.1	-67	-175.9	-179.6	178.5	0	109.7	F99	F99-K103 VanDerWaalsContact CE2-O 3.31Å; F99-K103 WeakPolarHBondContact CE2-O 3.49Å; F99-K103 WeakPolarHBondContact CZ-O 3.15Å
104	S	86.9	Confident	86.3	Confident	36 Å²	36	78.3 Å²	78.3	25%	0.252	39%	0.39	S	S	.	.			trans	-85.2	140.3	168.9	66.8	0	0	0	0	110.1	R141 L142	S104-R141 PolarHBondContact OG-NE 3.31Å; S104-R141 PolarHBondContact OG-NH2 3.05Å; S104-L142 CarbonylContact C-O 3.55Å; S104-L142 VanDerWaalsContact CA-O 3.23Å; S104-L142 WeakPolarHBondContact CA-O 3.32Å; S104-L142 WeakPolarHBondContact CB-O 3.2Å
105	F	85.5	Confident	86.2	Confident	111 Å²	111	78.7 Å²	78.7	49%	0.487	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.2	173	-59	-69.7	0	0	0	110.5	F99 R141 L142	F99-F105 HydrophobicContact CD2-CD2 4.37Å; F99-F105 AromaticContact CD2-CE2 3.87Å; F99-F105 HydrophobicContact CD2-CE2 3.87Å; F99-F105 HydrophobicContact CE1-CD2 4.25Å; F99-F105 AromaticContact CE2-CD2 3.61Å; F99-F105 HydrophobicContact CE2-CD2 3.61Å; F99-F105 AromaticContact CE2-CE2 3.31Å; F99-F105 HydrophobicContact CE2-CE2 3.31Å; F99-F105 HydrophobicContact CE2-CZ 4.46Å; F99-F105 AromaticContact CZ-CD2 3.53Å; F99-F105 HydrophobicContact CZ-CD2 3.53Å; F99-F105 AromaticContact CZ-CE2 3.78Å; F99-F105 HydrophobicContact CZ-CE2 3.78Å; F105-R141 WeakPolarHBondContact O-CA 3.14Å; F105-L142 PolarHBondContact N-O 3.14Å; F105-L142 PolarHBondContact O-N 3Å
106	T	87.6	Confident	86.3	Confident	80 Å²	80	73.2 Å²	73.2	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.8	168.8	-59.8	0	0	0	0	107.9	L139	T106-L139 HydrophobicContact CG2-CD1 3.35Å
107	L	85.6	Confident	86.5	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.131	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	153	-179.6	-59.1	174.1	0	0	0	110.6	F41 L111 L115 I140 L142	F41-L107 HydrophobicContact CD2-CD1 3.94Å; F41-L107 HydrophobicContact CD2-CD2 3.97Å; F41-L107 HydrophobicContact CE2-CD1 3.41Å; F41-L107 VanDerWaalsContact CE2-CD1 3.41Å; F41-L107 HydrophobicContact CE2-CD2 4.27Å; F41-L107 HydrophobicContact CE2-CG 4.49Å; F41-L107 HydrophobicContact CZ-CD1 4.21Å; L107-L111 HydrophobicContact CB-CB 4.47Å; L107-L111 HydrophobicContact CB-CD1 4.1Å; L107-L111 HydrophobicContact CD2-CD1 4.09Å; L107-L115 HydrophobicContact CD1-CD1 4.29Å; L107-I140 HydrophobicContact CB-CG2 3.68Å; L107-I140 PolarHBondContact N-O 2.92Å; L107-L142 HydrophobicContact CD1-CD1 3.58Å; L107-L142 HydrophobicContact CD1-CG 3.87Å; L107-L142 HydrophobicContact CG-CD1 4.47Å
108	D	85.4	Confident	86.7	Confident	64 Å²	64	71.1 Å²	71.1	34%	0.342	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.5	146.5	171.7	-174.5	-74.3	0	0	0	110.7	R110 L111	D108-R110 PolarHBondContact O-N 2.74Å; D108-R110 VanDerWaalsContact O-N 3.11Å; D108-R110 WeakPolarHBondContact OD1-CB 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.28Å; D108-R110 IonicContact OD1-CZ 3.55Å; D108-R110 PolarHBondContact OD1-N 2.85Å; D108-R110 IonicContact OD1-NE 2.81Å; D108-R110 PolarHBondContact OD1-NE 2.82Å; D108-R110 IonicContact OD1-NH2 2.81Å; D108-R110 IonicContact OD2-CZ 3.65Å; D108-R110 IonicContact OD2-NE 2.83Å; D108-R110 IonicContact OD2-NH2 3.59Å; D108-R110 PolarHBondContact OD2-NH2 2.86Å; D108-L111 PolarHBondContact O-N 2.99Å
109	A	83.3	Confident	86.9	Confident	15 Å²	15	69.6 Å²	69.6	12%	0.124	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-55.4	-29.8	-178.7	0	0	0	0	0	113.7	L111 V112 V135 R138	A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.93Å; A109-V112 VanDerWaalsContact O-CB 3.3Å; A109-V112 WeakPolarHBondContact O-CB 3.27Å; A109-V112 VanDerWaalsContact O-CG2 3.25Å; A109-V112 WeakPolarHBondContact O-CG2 3.37Å; A109-V112 PolarHBondContact O-N 2.96Å; A109-V135 HydrophobicContact CB-CG1 4.23Å; A109-R138 HydrophobicContact CB-CB 4.02Å; A109-R138 WeakPolarHBondContact CB-O 3.36Å
110	R	84.3	Confident	87.3	Confident	155 Å²	155	69.5 Å²	69.5	59%	0.585	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.9	-28.1	179.1	-67.4	170.6	-72.1	175.8	-2.6	112.9	D108 V112 E113	D108-R110 PolarHBondContact O-N 2.74Å; D108-R110 VanDerWaalsContact O-N 3.11Å; D108-R110 WeakPolarHBondContact OD1-CB 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.28Å; D108-R110 IonicContact OD1-CZ 3.55Å; D108-R110 PolarHBondContact OD1-N 2.85Å; D108-R110 IonicContact OD1-NE 2.81Å; D108-R110 PolarHBondContact OD1-NE 2.82Å; D108-R110 IonicContact OD1-NH2 2.81Å; D108-R110 IonicContact OD2-CZ 3.65Å; D108-R110 IonicContact OD2-NE 2.83Å; D108-R110 IonicContact OD2-NH2 3.59Å; D108-R110 PolarHBondContact OD2-NH2 2.86Å; R110-V112 PolarHBondContact O-N 3.47Å; R110-E113 PolarHBondContact O-N 3.02Å
111	L	85.3	Confident	87.9	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-75.2	-14.1	-178.7	-64.3	171.4	0	0	0	113.1	L38 F41 L107 D108 A109 E113 F114	L38-L111 HydrophobicContact CD1-CD1 3.46Å; L38-L111 VanDerWaalsContact CD1-CD1 3.46Å; L38-L111 HydrophobicContact CD1-CD2 4.26Å; L38-L111 HydrophobicContact CD1-CG 4.41Å; F41-L111 HydrophobicContact CD1-CD1 4.47Å; F41-L111 HydrophobicContact CD1-CD2 4.15Å; F41-L111 HydrophobicContact CE1-CB 4.31Å; F41-L111 HydrophobicContact CE1-CD1 4.43Å; F41-L111 HydrophobicContact CE1-CD2 3.83Å; F41-L111 HydrophobicContact CE1-CG 4.41Å; F41-L111 HydrophobicContact CZ-CB 4.18Å; L107-L111 HydrophobicContact CB-CB 4.47Å; L107-L111 HydrophobicContact CB-CD1 4.1Å; L107-L111 HydrophobicContact CD2-CD1 4.09Å; D108-L111 PolarHBondContact O-N 2.99Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.93Å; L111-E113 PolarHBondContact O-N 2.99Å; L111-F114 HydrophobicContact CD2-CD2 4.15Å; L111-F114 HydrophobicContact CD2-CE2 4.25Å; L111-F114 PolarHBondContact O-N 2.9Å; L111-F114 VanDerWaalsContact O-N 3.16Å
112	V	86.1	Confident	88.6	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.042	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.4	-31.3	174.7	177.9	0	0	0	0	111.2	A109 R110 F114 L115 V117 I140 Y150	A109-V112 VanDerWaalsContact O-CB 3.3Å; A109-V112 WeakPolarHBondContact O-CB 3.27Å; A109-V112 VanDerWaalsContact O-CG2 3.25Å; A109-V112 WeakPolarHBondContact O-CG2 3.37Å; A109-V112 PolarHBondContact O-N 2.96Å; R110-V112 PolarHBondContact O-N 3.47Å; V112-F114 PolarHBondContact O-N 3.4Å; V112-F114 VanDerWaalsContact O-N 3.17Å; V112-L115 PolarHBondContact O-N 3.49Å; V112-L115 VanDerWaalsContact O-N 3.12Å; V112-V117 HydrophobicContact CG1-CG2 3.72Å; V112-I140 HydrophobicContact CG2-CB 3.96Å; V112-I140 HydrophobicContact CG2-CD1 4.31Å; V112-I140 HydrophobicContact CG2-CG2 3.47Å; V112-I140 VanDerWaalsContact CG2-CG2 3.47Å; V112-Y150 HydrophobicContact CG1-CE2 3.75Å; V112-Y150 HydrophobicContact CG2-CE2 4.13Å
113	E	86.4	Confident	89.4	Confident	126 Å²	126	54.6 Å²	54.6	59%	0.589	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16	-178.6	-62.5	-175.5	179.2	0	0	114.1	K50 R110 L111	K50-E113 WeakPolarHBondContact CD-O 3.18Å; K50-E113 PolarHBondContact NZ-O 3.34Å; R110-E113 PolarHBondContact O-N 3.02Å; L111-E113 PolarHBondContact O-N 2.99Å
114	F	88.6	Confident	90	Very high	116 Å²	116	51.6 Å²	51.6	51%	0.509	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-94.8	-8.4	177.1	-59.1	-74.6	0	0	0	113.3	Y48 L111 V112	Y48-F114 WeakPolarHBondContact CD1-O 3.23Å; L111-F114 HydrophobicContact CD2-CD2 4.15Å; L111-F114 HydrophobicContact CD2-CE2 4.25Å; L111-F114 PolarHBondContact O-N 2.9Å; L111-F114 VanDerWaalsContact O-N 3.16Å; V112-F114 PolarHBondContact O-N 3.4Å; V112-F114 VanDerWaalsContact O-N 3.17Å
115	L	91.7	Very high	90.4	Very high	9 Å²	9	52 Å²	52	5%	0.047	26%	0.258	C	S	.	.	S	Bend	trans	-108.9	152.6	-177.3	-62.9	176.2	0	0	0	110.7	F41 T45 Y48 L97 L107 V112 I140	F41-L115 HydrophobicContact CE2-CD1 4.44Å; F41-L115 HydrophobicContact CZ-CD1 4.4Å; F41-L115 HydrophobicContact CZ-CD2 4.42Å; F41-L115 HydrophobicContact CZ-CG 4.4Å; T45-L115 HydrophobicContact CG2-CD2 4.15Å; Y48-L115 HydrophobicContact CD1-CD2 4.41Å; Y48-L115 HydrophobicContact CE1-CD2 4.05Å; L97-L115 HydrophobicContact CD1-CD2 3.95Å; L97-L115 HydrophobicContact CD2-CD2 3.82Å; L107-L115 HydrophobicContact CD1-CD1 4.29Å; V112-L115 PolarHBondContact O-N 3.49Å; V112-L115 VanDerWaalsContact O-N 3.12Å; L115-I140 HydrophobicContact CD1-CD1 3.52Å; L115-I140 HydrophobicContact CD1-CG1 4.49Å
116	W	94.5	Very high	90.8	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.027	26%	0.258	C	S	.	.			trans	-71.6	134.7	169.3	177.5	89.5	0	0	0	109	Y48 K50 R53 P54 V61 I63 W92 P118 Y183	Y48-W116 WeakPolarHBondContact OH-CB 3.43Å; Y48-W116 PolarHBondContact OH-N 2.98Å; Y48-W116 VanDerWaalsContact OH-N 3.11Å; K50-W116 WeakPolarHBondContact O-CB 3.5Å; R53-W116 HydrophobicContact CB-CD2 4.5Å; R53-W116 HydrophobicContact CB-CH2 4.35Å; R53-W116 HydrophobicContact CB-CZ2 3.62Å; P54-W116 HydrophobicContact CG-CE3 3.91Å; P54-W116 HydrophobicContact CG-CZ3 4.01Å; V61-W116 HydrophobicContact CG1-CH2 4.42Å; I63-W116 HydrophobicContact CD1-CH2 3.97Å; I63-W116 HydrophobicContact CD1-CZ3 4.43Å; W92-W116 AromaticContact CD1-CZ3 4Å; W92-W116 HydrophobicContact CD2-CZ3 4.43Å; W92-W116 HydrophobicContact CG-CZ3 4.34Å; W92-W116 WeakPolarHBondContact CZ2-O 3.16Å; W92-W116 AromaticContact NE1-CE3 3.88Å; W92-W116 AromaticContact NE1-CZ3 3.87Å; W116-P118 HydrophobicContact CH2-CB 4Å; W116-P118 HydrophobicContact CZ2-CB 4.42Å; W116-P118 HydrophobicContact CZ3-CB 4.46Å; W116-Y183 HydrophobicContact CZ2-CE2 4.07Å; W116-Y183 AromaticContact NE1-CZ 3.8Å; W116-Y183 PolarHBondContact NE1-OH 3.45Å
117	V	94.1	Very high	91.1	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.23	27%	0.265	C	S	.	.			trans	-131.6	135.7	176	179.5	0	0	0	0	107.3	V112 Y150	V112-V117 HydrophobicContact CG1-CG2 3.72Å; V117-Y150 HydrophobicContact CG1-CD1 3.73Å; V117-Y150 HydrophobicContact CG1-CE1 3.38Å; V117-Y150 HydrophobicContact CG1-CG 4.43Å
118	P	95.4	Very high	91.5	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.052	28%	0.276	C	S	.	.			trans	-63.2	146	175.5	29.1	-39.3	0	0	0	112.5	I63 W92 W116 T120	I63-P118 HydrophobicContact CD1-CB 3.35Å; I63-P118 HydrophobicContact CD1-CG 3.66Å; I63-P118 HydrophobicContact CG2-CG 4.44Å; W92-P118 HydrophobicContact CE3-CG 4.42Å; W92-P118 HydrophobicContact CZ3-CG 4.28Å; W116-P118 HydrophobicContact CH2-CB 4Å; W116-P118 HydrophobicContact CZ2-CB 4.42Å; W116-P118 HydrophobicContact CZ3-CB 4.46Å; P118-T120 VanDerWaalsContact C-N 3.28Å; P118-T120 PolarHBondContact O-N 3.35Å; P118-T120 VanDerWaalsContact O-N 3.09Å
119	D	93.6	Very high	91.8	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.251	28%	0.28	S	S	.	.			trans	-86.4	57.9	-177.7	61.6	-10.2	0	0	0	112.2	Y121 S180 W181 G182 Y183	D119-Y121 PolarHBondContact O-N 3.14Å; D119-S180 PolarHBondContact OD1-OG 3.05Å; D119-W181 HydrophobicContact CB-CB 4.42Å; D119-W181 PolarHBondContact O-N 3.23Å; D119-W181 VanDerWaalsContact O-N 3.15Å; D119-W181 PolarHBondContact OD2-N 2.94Å; D119-G182 WeakPolarHBondContact OD2-CA 3.29Å; D119-G182 PolarHBondContact OD2-N 3.19Å; D119-Y183 VanDerWaalsContact OD1-CD2 3.26Å; D119-Y183 WeakPolarHBondContact OD1-CD2 3.27Å
120	T	95.5	Very high	92.2	Very high	31 Å²	31	60.3 Å²	60.3	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.9	176.8	-44.9	0	0	0	0	111	L65 L88 Q90 P118 L178 E179 F190	L65-T120 HydrophobicContact CD2-CG2 4.3Å; L88-T120 HydrophobicContact CD2-CG2 4.27Å; Q90-T120 PolarHBondContact NE2-OG1 3.1Å; Q90-T120 PolarHBondContact OE1-OG1 3.09Å; Q90-T120 VanDerWaalsContact OE1-OG1 3.08Å; P118-T120 VanDerWaalsContact C-N 3.28Å; P118-T120 PolarHBondContact O-N 3.35Å; P118-T120 VanDerWaalsContact O-N 3.09Å; T120-L178 HydrophobicContact CG2-CB 4.21Å; T120-L178 HydrophobicContact CG2-CD2 4.08Å; T120-E179 WeakPolarHBondContact CA-O 3.33Å; T120-F190 HydrophobicContact CG2-CE2 4.05Å; T120-F190 HydrophobicContact CG2-CZ 4.26Å
121	Y	94.7	Very high	92.3	Very high	52 Å²	52	54.3 Å²	54.3	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.6	172.1	81.3	-75.1	0	0	0	111.6	D119 V123 L178 E179 S180 W181	D119-Y121 PolarHBondContact O-N 3.14Å; Y121-V123 HydrophobicContact CE2-CB 4.35Å; Y121-V123 HydrophobicContact CE2-CG2 4.1Å; Y121-L178 WeakPolarHBondContact O-CA 3.38Å; Y121-E179 HydrophobicContact CD1-CB 4.35Å; Y121-E179 WeakPolarHBondContact CD1-O 3.35Å; Y121-E179 HydrophobicContact CE1-CB 3.66Å; Y121-E179 HydrophobicContact CE1-CG 3.97Å; Y121-E179 PolarHBondContact N-O 3.48Å; Y121-E179 PolarHBondContact O-N 3.18Å; Y121-E179 VanDerWaalsContact O-N 3.13Å; Y121-E179 PolarHBondContact OH-OE2 3.39Å; Y121-S180 WeakPolarHBondContact CE1-O 3.39Å; Y121-W181 HydrophobicContact CD1-CB 3.78Å; Y121-W181 AromaticContact CD1-CE3 3.88Å; Y121-W181 HydrophobicContact CD1-CE3 3.88Å; Y121-W181 AromaticContact CD2-CE3 3.85Å; Y121-W181 HydrophobicContact CD2-CE3 3.85Å; Y121-W181 HydrophobicContact CD2-CZ3 4.2Å; Y121-W181 HydrophobicContact CE1-CB 4.18Å; Y121-W181 AromaticContact CE1-CE3 3.8Å; Y121-W181 HydrophobicContact CE1-CE3 3.8Å; Y121-W181 AromaticContact CE2-CE3 3.74Å; Y121-W181 HydrophobicContact CE2-CE3 3.74Å; Y121-W181 AromaticContact CE2-CZ3 3.88Å; Y121-W181 HydrophobicContact CE2-CZ3 3.88Å; Y121-W181 HydrophobicContact CG-CB 4.49Å; Y121-W181 AromaticContact CG-CE3 3.92Å; Y121-W181 HydrophobicContact CG-CE3 3.92Å; Y121-W181 AromaticContact CZ-CE3 3.73Å
122	I	97	Very high	92.3	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.9	178.1	-60.6	160.6	0	0	0	107.8	I86 E124 S125 T156 V158 L176 Q177 L178	I86-I122 HydrophobicContact CD1-CD1 4.47Å; I122-E124 PolarHBondContact O-N 3.27Å; I122-S125 WeakPolarHBondContact O-CB 3.32Å; I122-S125 PolarHBondContact O-N 2.96Å; I122-S125 PolarHBondContact O-OG 3.12Å; I122-T156 HydrophobicContact CD1-CG2 3.88Å; I122-V158 HydrophobicContact CG2-CG2 3.94Å; I122-L176 HydrophobicContact CG2-CD1 3.81Å; I122-Q177 WeakPolarHBondContact CA-O 3.38Å; I122-L178 HydrophobicContact CG1-CD2 3.62Å
123	V	93.8	Very high	91.8	Very high	35 Å²	35	64.9 Å²	64.9	21%	0.212	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-52.3	-166.5	-178	0	0	0	0	112.9	Y121 S125 Q177 E179	Y121-V123 HydrophobicContact CE2-CB 4.35Å; Y121-V123 HydrophobicContact CE2-CG2 4.1Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.15Å; V123-Q177 HydrophobicContact CB-CB 4.08Å; V123-Q177 HydrophobicContact CG2-CB 3.99Å; V123-Q177 PolarHBondContact N-O 3.19Å; V123-E179 HydrophobicContact CG2-CB 3.81Å; V123-E179 VanDerWaalsContact CG2-OE2 3.28Å; V123-E179 WeakPolarHBondContact CG2-OE2 3.42Å
124	E	94.1	Very high	91.4	Very high	97 Å²	97	66 Å²	66	45%	0.453	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	26.1	-175.4	-67.7	-67.1	164.5	0	0	112.3	I122 V158 A159	I122-E124 PolarHBondContact O-N 3.27Å; E124-V158 HydrophobicContact CB-CG1 3.95Å; E124-V158 WeakPolarHBondContact O-CA 3.48Å; E124-A159 HydrophobicContact CB-CB 4.33Å; E124-A159 PolarHBondContact O-N 3.35Å
125	S	95.8	Very high	91	Very high	46 Å²	46	64.2 Å²	64.2	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.1	180	67.8	0	0	0	0	111.7	I122 V123 S128	I122-S125 WeakPolarHBondContact O-CB 3.32Å; I122-S125 PolarHBondContact O-N 2.96Å; I122-S125 PolarHBondContact O-OG 3.12Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.15Å; S125-S128 WeakPolarHBondContact CB-OG 3.46Å
126	K	94.3	Very high	90.4	Very high	112 Å²	112	65 Å²	65	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-38.6	172.4	-63.6	-175	-175.7	175.9	0	111.5	N79 D81 T157	N79-K126 PolarHBondContact O-NZ 2.95Å; D81-K126 HydrophobicContact CB-CD 4.35Å; D81-K126 WeakPolarHBondContact OD2-CD 3.45Å; D81-K126 IonicContact OD2-NZ 3.68Å; D81-K126 PolarHBondContact OD2-NZ 2.79Å; K126-T157 PolarHBondContact N-O 3.03Å
127	K	93.6	Very high	89.7	Confident	147 Å²	147	67.7 Å²	67.7	64%	0.639	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.7	130	179.4	-174.4	175.1	-179.4	177.3	0	109.3	T156 T157	K127-T156 WeakPolarHBondContact O-CA 3.48Å; K127-T157 PolarHBondContact N-O 3.07Å; K127-T157 PolarHBondContact O-N 3.35Å
128	S	94.4	Very high	89.4	Confident	52 Å²	52	69.7 Å²	69.7	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.3	177.1	-60.6	0	0	0	0	109.6	S125 T155 T156	S125-S128 WeakPolarHBondContact CB-OG 3.46Å; S128-T155 WeakPolarHBondContact CA-O 3.39Å; S128-T156 WeakPolarHBondContact OG-CB 3.43Å; S128-T156 PolarHBondContact OG-OG1 2.62Å
129	F	92.4	Very high	89.1	Confident	99 Å²	99	72.8 Å²	72.8	43%	0.434	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.3	174	63.2	-88.2	0	0	0	111.4	H131 T155	F129-H131 AromaticContact CE2-CE1 3.88Å; F129-H131 AromaticContact CE2-NE2 3.98Å; F129-T155 HydrophobicContact CD1-CG2 4.36Å; F129-T155 HydrophobicContact CE1-CG2 3.49Å; F129-T155 VanDerWaalsContact CE1-CG2 3.49Å; F129-T155 HydrophobicContact CE2-CG2 4.42Å; F129-T155 VanDerWaalsContact CZ-CB 3.41Å; F129-T155 HydrophobicContact CZ-CG2 3.54Å; F129-T155 PolarHBondContact N-O 3.43Å; F129-T155 PolarHBondContact O-N 3.33Å
130	L	91	Very high	89	Confident	59 Å²	59	70.6 Å²	70.6	31%	0.309	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	142.2	171.1	-63.6	175.2	0	0	0	109	L152 I154	L130-L152 HydrophobicContact CD2-CB 4.49Å; L130-L152 HydrophobicContact CD2-CD1 4.49Å; L130-I154 HydrophobicContact CD2-CB 4.41Å; L130-I154 HydrophobicContact CD2-CD1 4.27Å; L130-I154 HydrophobicContact CD2-CG1 3.72Å; L130-I154 HydrophobicContact CD2-CG2 4.47Å
131	H	86.9	Confident	88.9	Confident	29 Å²	29	73.6 Å²	73.6	13%	0.134	38%	0.377	C	S	.	.			trans	-80.2	122.8	178.1	-70.8	-100.7	0	0	0	110.6	F129 N137 R153 T155	F129-H131 AromaticContact CE2-CE1 3.88Å; F129-H131 AromaticContact CE2-NE2 3.98Å; H131-N137 HydrophobicContact CB-CB 4.43Å; H131-N137 WeakPolarHBondContact CB-ND2 3.39Å; H131-N137 WeakPolarHBondContact O-CB 3.34Å; H131-N137 PolarHBondContact O-N 3.17Å; H131-N137 PolarHBondContact O-ND2 2.98Å; H131-R153 PolarHBondContact N-O 3.5Å; H131-T155 PolarHBondContact CE1-OG1 2.79Å; H131-T155 PolarHBondContact NE2-OG1 3.5Å
132	E	84.3	Confident	88.7	Confident	142 Å²	142	71.3 Å²	71.3	66%	0.664	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-120.7	67.6	179.4	-61.1	-177.4	172.8	0	0	110.3
133	V	76.7	Confident	88.5	Confident	99 Å²	99	74 Å²	74	60%	0.6	38%	0.379	S	S	*	.	S	Bend	trans	-98.7	111.3	176.7	-176.7	0	0	0	0	107.9	V135	V133-V135 PolarHBondContact O-N 2.85Å
134	T	78.1	Confident	88.4	Confident	149 Å²	149	73.6 Å²	73.6	91%	0.914	38%	0.378	S	S	*	.	S	Bend	trans	65.4	-46.3	-169.4	68.4	0	0	0	0	115.2
135	V	79.8	Confident	88.2	Confident	80 Å²	80	73.4 Å²	73.4	49%	0.485	38%	0.38	S	S	.	.	S	Bend	trans	-143.4	155.4	173.5	-176	0	0	0	0	108.2	A109 V133 N137	A109-V135 HydrophobicContact CB-CG1 4.23Å; V133-V135 PolarHBondContact O-N 2.85Å; V135-N137 PolarHBondContact O-N 2.84Å
136	G	77.6	Confident	88	Confident	24 Å²	24	71.2 Å²	71.2	25%	0.247	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-57.2	127.1	172.5	0	0	0	0	0	111.3	R138	G136-R138 PolarHBondContact O-N 3.41Å
137	N	81.6	Confident	88	Confident	64 Å²	64	67.4 Å²	67.4	34%	0.342	35%	0.352	S	S	.	.			trans	-74.2	68.2	-179.5	-74	-48.7	0	0	0	111.7	H131 V135 R153	H131-N137 HydrophobicContact CB-CB 4.43Å; H131-N137 WeakPolarHBondContact CB-ND2 3.39Å; H131-N137 WeakPolarHBondContact O-CB 3.34Å; H131-N137 PolarHBondContact O-N 3.17Å; H131-N137 PolarHBondContact O-ND2 2.98Å; V135-N137 PolarHBondContact O-N 2.84Å; N137-R153 HydrophobicContact CB-CB 4Å; N137-R153 PolarHBondContact O-N 2.92Å
138	R	87.1	Confident	88	Confident	80 Å²	80	60.5 Å²	60.5	30%	0.302	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.1	174.9	-42.7	-168.6	172.3	158	-1.2	108.3	A109 G136 Y150 A151 L152	A109-R138 HydrophobicContact CB-CB 4.02Å; A109-R138 WeakPolarHBondContact CB-O 3.36Å; G136-R138 PolarHBondContact O-N 3.41Å; R138-Y150 HydrophobicContact CB-CE2 4.37Å; R138-A151 WeakPolarHBondContact CA-O 3.41Å; R138-L152 HydrophobicContact CB-CD2 3.76Å; R138-L152 HydrophobicContact CG-CD2 3.43Å; R138-L152 VanDerWaalsContact CG-CD2 3.43Å
139	L	89.2	Confident	88.1	Confident	74 Å²	74	58.8 Å²	58.8	39%	0.387	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	173.8	172.4	72	0	0	0	107.5	T106 Y150 A151	T106-L139 HydrophobicContact CG2-CD1 3.35Å; L139-Y150 CarbonylContact O-C 3.53Å; L139-Y150 WeakPolarHBondContact O-CA 2.83Å; L139-A151 HydrophobicContact CB-CB 4.22Å; L139-A151 HydrophobicContact CD2-CB 4.44Å; L139-A151 PolarHBondContact N-O 3.49Å; L139-A151 PolarHBondContact O-N 3.4Å
140	I	91.2	Very high	88.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.6	169.8	-179.8	154	0	0	0	109.4	L107 V112 L115 L142 V148 L149 Y150	L107-I140 HydrophobicContact CB-CG2 3.68Å; L107-I140 PolarHBondContact N-O 2.92Å; V112-I140 HydrophobicContact CG2-CB 3.96Å; V112-I140 HydrophobicContact CG2-CD1 4.31Å; V112-I140 HydrophobicContact CG2-CG2 3.47Å; V112-I140 VanDerWaalsContact CG2-CG2 3.47Å; L115-I140 HydrophobicContact CD1-CD1 3.52Å; L115-I140 HydrophobicContact CD1-CG1 4.49Å; I140-L142 HydrophobicContact CG1-CD2 4.5Å; I140-V148 HydrophobicContact CD1-CG1 3.91Å; I140-V148 HydrophobicContact CG1-CG1 4.01Å; I140-L149 CarbonylContact C-O 3.55Å; I140-L149 WeakPolarHBondContact CA-O 3.46Å; I140-Y150 HydrophobicContact CB-CD2 4.44Å
141	R	92.6	Very high	88.4	Confident	94 Å²	94	52.7 Å²	52.7	36%	0.355	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.6	-179.7	-171.7	177.9	-162.6	151.9	5.5	109.2	S104 F105 F143 L149	S104-R141 PolarHBondContact OG-NE 3.31Å; S104-R141 PolarHBondContact OG-NH2 3.05Å; F105-R141 WeakPolarHBondContact O-CA 3.14Å; R141-F143 HydrophobicContact CG-CE2 4.38Å; R141-F143 HydrophobicContact CG-CZ 4.46Å; R141-L149 HydrophobicContact CB-CB 4.25Å; R141-L149 HydrophobicContact CB-CD2 4.48Å; R141-L149 PolarHBondContact N-O 3.02Å; R141-L149 PolarHBondContact O-N 3.33Å
142	L	91.8	Very high	88.7	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.1	176.8	-58.1	-177.2	0	0	0	109.4	F41 L44 L97 F99 S104 F105 L107 I140 V148	F41-L142 HydrophobicContact CE2-CD1 4.45Å; L44-L142 HydrophobicContact CD2-CD1 3.78Å; L97-L142 HydrophobicContact CD1-CD2 4.14Å; F99-L142 HydrophobicContact CE1-CB 4.05Å; S104-L142 CarbonylContact C-O 3.55Å; S104-L142 VanDerWaalsContact CA-O 3.23Å; S104-L142 WeakPolarHBondContact CA-O 3.32Å; S104-L142 WeakPolarHBondContact CB-O 3.2Å; F105-L142 PolarHBondContact N-O 3.14Å; F105-L142 PolarHBondContact O-N 3Å; L107-L142 HydrophobicContact CD1-CD1 3.58Å; L107-L142 HydrophobicContact CD1-CG 3.87Å; L107-L142 HydrophobicContact CG-CD1 4.47Å; I140-L142 HydrophobicContact CG1-CD2 4.5Å; L142-V148 HydrophobicContact CD2-CB 4.22Å; L142-V148 HydrophobicContact CD2-CG1 3.91Å; L142-V148 HydrophobicContact CD2-CG2 3.68Å
143	F	93.1	Very high	89.2	Confident	67 Å²	67	49 Å²	49	29%	0.294	26%	0.262	S	S	.	.			trans	-101.1	150.6	170.9	-64.6	-91.4	0	0	0	109.3	F99 R141 N145 G146 T147 L149	F99-F143 WeakPolarHBondContact CE1-O 3.4Å; R141-F143 HydrophobicContact CG-CE2 4.38Å; R141-F143 HydrophobicContact CG-CZ 4.46Å; F143-N145 WeakPolarHBondContact CB-OD1 3.33Å; F143-N145 PolarHBondContact O-N 2.97Å; F143-N145 VanDerWaalsContact O-N 3.16Å; F143-G146 PolarHBondContact O-N 3.41Å; F143-T147 HydrophobicContact CD2-CG2 4.11Å; F143-T147 WeakPolarHBondContact CD2-O 3.26Å; F143-T147 PolarHBondContact N-O 3.33Å; F143-L149 HydrophobicContact CE2-CB 3.91Å
144	S	90.2	Very high	90.1	Very high	27 Å²	27	45.2 Å²	45.2	19%	0.189	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.9	-175.2	51.1	0	0	0	0	113.9	F99 G101 G146	F99-S144 VanDerWaalsContact CZ-CA 3.49Å; F99-S144 PolarHBondContact N-O 3.22Å; F99-S144 WeakPolarHBondContact O-CB 3.43Å; G101-S144 WeakPolarHBondContact O-CB 3.44Å; G101-S144 PolarHBondContact O-OG 3.01Å; S144-G146 PolarHBondContact O-N 3.05Å
145	N	90.7	Very high	90.9	Very high	93 Å²	93	38.6 Å²	38.6	50%	0.497	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	7.1	173.9	71.9	-20.1	0	0	0	114.2	F143 T147	F143-N145 WeakPolarHBondContact CB-OD1 3.33Å; F143-N145 PolarHBondContact O-N 2.97Å; F143-N145 VanDerWaalsContact O-N 3.16Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact ND2-OG1 3.05Å; N145-T147 PolarHBondContact O-N 2.95Å; N145-T147 VanDerWaalsContact OD1-CB 3.25Å; N145-T147 WeakPolarHBondContact OD1-CB 3.47Å; N145-T147 PolarHBondContact OD1-N 3.31Å; N145-T147 PolarHBondContact OD1-OG1 3.02Å
146	G	90.8	Very high	91.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	79.7	6	-176.7	0	0	0	0	0	114.3	D94 F143 S144	D94-G146 PolarHBondContact N-O 3.32Å; D94-G146 WeakPolarHBondContact O-CA 3.37Å; F143-G146 PolarHBondContact O-N 3.41Å; S144-G146 PolarHBondContact O-N 3.05Å
147	T	94.5	Very high	92.6	Very high	32 Å²	32	34.9 Å²	34.9	20%	0.196	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.7	171.2	-58.5	0	0	0	0	109.7	W92 F143 N145	W92-T147 CarbonylContact O-C 3.58Å; W92-T147 WeakPolarHBondContact O-CA 3.36Å; F143-T147 HydrophobicContact CD2-CG2 4.11Å; F143-T147 WeakPolarHBondContact CD2-O 3.26Å; F143-T147 PolarHBondContact N-O 3.33Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact ND2-OG1 3.05Å; N145-T147 PolarHBondContact O-N 2.95Å; N145-T147 VanDerWaalsContact OD1-CB 3.25Å; N145-T147 WeakPolarHBondContact OD1-CB 3.47Å; N145-T147 PolarHBondContact OD1-N 3.31Å; N145-T147 PolarHBondContact OD1-OG1 3.02Å
148	V	94.9	Very high	93.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.5	174.8	-173.8	0	0	0	0	108.3	R91 W92 D94 L97 I140 L142	R91-V148 VanDerWaalsContact CA-O 3.3Å; R91-V148 WeakPolarHBondContact CA-O 3.36Å; W92-V148 HydrophobicContact CD2-CB 4Å; W92-V148 HydrophobicContact CE3-CB 4.43Å; W92-V148 HydrophobicContact CH2-CB 4.18Å; W92-V148 HydrophobicContact CH2-CG1 3.61Å; W92-V148 HydrophobicContact CZ2-CB 3.7Å; W92-V148 HydrophobicContact CZ2-CG1 3.42Å; W92-V148 VanDerWaalsContact CZ2-CG1 3.42Å; W92-V148 HydrophobicContact CZ2-CG2 4.2Å; W92-V148 HydrophobicContact CZ3-CG1 4.23Å; W92-V148 PolarHBondContact N-O 3.23Å; W92-V148 PolarHBondContact O-N 2.88Å; D94-V148 HydrophobicContact CB-CG2 4.41Å; L97-V148 HydrophobicContact CD1-CG2 3.89Å; I140-V148 HydrophobicContact CD1-CG1 3.91Å; I140-V148 HydrophobicContact CG1-CG1 4.01Å; L142-V148 HydrophobicContact CD2-CB 4.22Å; L142-V148 HydrophobicContact CD2-CG1 3.91Å; L142-V148 HydrophobicContact CD2-CG2 3.68Å
149	L	95.5	Very high	93.8	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.4	167.2	168.5	66.7	0	0	0	108.3	R89 Q90 R91 I140 R141 F143	R89-L149 HydrophobicContact CB-CD1 4.08Å; Q90-L149 WeakPolarHBondContact O-CA 3.45Å; R91-L149 HydrophobicContact CG-CB 4.47Å; R91-L149 HydrophobicContact CG-CD1 3.71Å; I140-L149 CarbonylContact C-O 3.55Å; I140-L149 WeakPolarHBondContact CA-O 3.46Å; R141-L149 HydrophobicContact CB-CB 4.25Å; R141-L149 HydrophobicContact CB-CD2 4.48Å; R141-L149 PolarHBondContact N-O 3.02Å; R141-L149 PolarHBondContact O-N 3.33Å; F143-L149 HydrophobicContact CE2-CB 3.91Å
150	Y	95.3	Very high	94.1	Very high	16 Å²	16	26.3 Å²	26.3	6%	0.063	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128	174.3	-177.7	-125.2	0	0	0	109.4	R89 Q90 W92 V112 V117 R138 L139 I140 L152	R89-Y150 CarbonylContact C-O 3.54Å; R89-Y150 VanDerWaalsContact CA-O 3.31Å; R89-Y150 WeakPolarHBondContact CA-O 3.41Å; Q90-Y150 PolarHBondContact N-O 3.27Å; Q90-Y150 PolarHBondContact O-N 3.49Å; W92-Y150 HydrophobicContact CH2-CG 4.28Å; W92-Y150 VanDerWaalsContact CZ3-CB 3.48Å; W92-Y150 HydrophobicContact CZ3-CG 4.36Å; V112-Y150 HydrophobicContact CG1-CE2 3.75Å; V112-Y150 HydrophobicContact CG2-CE2 4.13Å; V117-Y150 HydrophobicContact CG1-CD1 3.73Å; V117-Y150 HydrophobicContact CG1-CE1 3.38Å; V117-Y150 HydrophobicContact CG1-CG 4.43Å; R138-Y150 HydrophobicContact CB-CE2 4.37Å; L139-Y150 CarbonylContact O-C 3.53Å; L139-Y150 WeakPolarHBondContact O-CA 2.83Å; I140-Y150 HydrophobicContact CB-CD2 4.44Å; Y150-L152 HydrophobicContact CD1-CD1 4.26Å; Y150-L152 HydrophobicContact CD1-CG 4.26Å; Y150-L152 HydrophobicContact CE1-CD1 3.35Å; Y150-L152 HydrophobicContact CE1-CD2 4.09Å; Y150-L152 HydrophobicContact CE1-CG 3.59Å; Y150-L152 HydrophobicContact CE2-CD2 4.05Å; Y150-L152 HydrophobicContact CE2-CG 4.3Å; Y150-L152 WeakPolarHBondContact OH-CD2 3.41Å
151	A	94.5	Very high	94.1	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140	178.2	0	0	0	0	0	111.5	L88 R89 R138 L139	L88-A151 CarbonylContact O-C 3.54Å; L88-A151 VanDerWaalsContact O-CA 3.25Å; L88-A151 WeakPolarHBondContact O-CA 3.48Å; R89-A151 HydrophobicContact CB-CB 4.17Å; R89-A151 HydrophobicContact CG-CB 3.9Å; R138-A151 WeakPolarHBondContact CA-O 3.41Å; L139-A151 HydrophobicContact CB-CB 4.22Å; L139-A151 HydrophobicContact CD2-CB 4.44Å; L139-A151 PolarHBondContact N-O 3.49Å; L139-A151 PolarHBondContact O-N 3.4Å
152	L	93.4	Very high	94	Very high	17 Å²	17	29 Å²	29	9%	0.089	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.4	-175.5	-68.4	175.9	0	0	0	110.4	Y87 L88 L130 R138 Y150 I154	Y87-L152 CarbonylContact C-O 3.58Å; Y87-L152 VanDerWaalsContact CA-O 3.29Å; Y87-L152 WeakPolarHBondContact CA-O 3.24Å; L88-L152 PolarHBondContact N-O 3.4Å; L88-L152 PolarHBondContact O-N 3.49Å; L130-L152 HydrophobicContact CD2-CB 4.49Å; L130-L152 HydrophobicContact CD2-CD1 4.49Å; R138-L152 HydrophobicContact CB-CD2 3.76Å; R138-L152 HydrophobicContact CG-CD2 3.43Å; R138-L152 VanDerWaalsContact CG-CD2 3.43Å; Y150-L152 HydrophobicContact CD1-CD1 4.26Å; Y150-L152 HydrophobicContact CD1-CG 4.26Å; Y150-L152 HydrophobicContact CE1-CD1 3.35Å; Y150-L152 HydrophobicContact CE1-CD2 4.09Å; Y150-L152 HydrophobicContact CE1-CG 3.59Å; Y150-L152 HydrophobicContact CE2-CD2 4.05Å; Y150-L152 HydrophobicContact CE2-CG 4.3Å; Y150-L152 WeakPolarHBondContact OH-CD2 3.41Å; L152-I154 HydrophobicContact CB-CD1 4.42Å; L152-I154 HydrophobicContact CB-CG1 4.15Å
153	R	94.4	Very high	93.9	Very high	77 Å²	77	33.8 Å²	33.8	29%	0.291	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117	166.3	-172.6	-173.1	177.6	-175.2	-1.8	109.8	T85 I86 Y87 H131 N137	T85-R153 HydrophobicContact CG2-CG 4.13Å; I86-R153 WeakPolarHBondContact O-CA 3.41Å; Y87-R153 HydrophobicContact CD1-CB 3.81Å; Y87-R153 HydrophobicContact CD1-CG 3.89Å; Y87-R153 HydrophobicContact CE1-CB 3.74Å; Y87-R153 HydrophobicContact CE1-CG 3.54Å; H131-R153 PolarHBondContact N-O 3.5Å; N137-R153 HydrophobicContact CB-CB 4Å; N137-R153 PolarHBondContact O-N 2.92Å
154	I	94.9	Very high	93.7	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.2	-176.2	-41.9	-172.7	0	0	0	108.4	T85 I86 L88 L130 L152	T85-I154 CarbonylContact C-O 3.56Å; T85-I154 WeakPolarHBondContact CA-O 3.11Å; I86-I154 HydrophobicContact CG1-CB 4.04Å; I86-I154 PolarHBondContact N-O 3.43Å; I86-I154 PolarHBondContact O-N 2.96Å; L88-I154 HydrophobicContact CB-CD1 4.32Å; L88-I154 HydrophobicContact CD2-CD1 4.12Å; L130-I154 HydrophobicContact CD2-CB 4.41Å; L130-I154 HydrophobicContact CD2-CD1 4.27Å; L130-I154 HydrophobicContact CD2-CG1 3.72Å; L130-I154 HydrophobicContact CD2-CG2 4.47Å; L152-I154 HydrophobicContact CB-CD1 4.42Å; L152-I154 HydrophobicContact CB-CG1 4.15Å
155	T	96.1	Very high	93.6	Very high	10 Å²	10	32.5 Å²	32.5	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.1	158	-72.6	0	0	0	0	108.2	T83 A84 T85 S128 F129 H131	T83-T155 HydrophobicContact CG2-CG2 3.66Å; A84-T155 WeakPolarHBondContact O-CA 3.5Å; T85-T155 PolarHBondContact OG1-OG1 3.12Å; S128-T155 WeakPolarHBondContact CA-O 3.39Å; F129-T155 HydrophobicContact CD1-CG2 4.36Å; F129-T155 HydrophobicContact CE1-CG2 3.49Å; F129-T155 VanDerWaalsContact CE1-CG2 3.49Å; F129-T155 HydrophobicContact CE2-CG2 4.42Å; F129-T155 VanDerWaalsContact CZ-CB 3.41Å; F129-T155 HydrophobicContact CZ-CG2 3.54Å; F129-T155 PolarHBondContact N-O 3.43Å; F129-T155 PolarHBondContact O-N 3.33Å; H131-T155 PolarHBondContact CE1-OG1 2.79Å; H131-T155 PolarHBondContact NE2-OG1 3.5Å
156	T	96.6	Very high	93.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.6	-177.6	-173.6	0	0	0	0	110.1	T83 A84 I86 I122 K127 S128 V158	T83-T156 CarbonylContact C-O 3.51Å; T83-T156 VanDerWaalsContact CA-O 3.31Å; T83-T156 WeakPolarHBondContact CA-O 3.32Å; A84-T156 PolarHBondContact N-O 3.31Å; A84-T156 PolarHBondContact O-N 3.3Å; I86-T156 HydrophobicContact CD1-CG2 4.47Å; I122-T156 HydrophobicContact CD1-CG2 3.88Å; K127-T156 WeakPolarHBondContact O-CA 3.48Å; S128-T156 WeakPolarHBondContact OG-CB 3.43Å; S128-T156 PolarHBondContact OG-OG1 2.62Å; T156-V158 HydrophobicContact CG2-CG2 3.71Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.28Å
157	T	97.3	Very high	93.6	Very high	25 Å²	25	32 Å²	32	15%	0.153	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.3	167.2	-56.1	0	0	0	0	107.4	D81 Y82 T83 K126 K127	D81-T157 HydrophobicContact CB-CG2 3.97Å; Y82-T157 CarbonylContact O-C 3.47Å; Y82-T157 WeakPolarHBondContact O-CA 3.38Å; T83-T157 PolarHBondContact OG1-OG1 3.1Å; K126-T157 PolarHBondContact N-O 3.03Å; K127-T157 PolarHBondContact N-O 3.07Å; K127-T157 PolarHBondContact O-N 3.35Å
158	V	97.3	Very high	93.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.9	-171.9	-177.3	0	0	0	0	109.2	D81 Y82 I122 E124 T156 C160 L176	D81-V158 VanDerWaalsContact CA-O 3.26Å; D81-V158 WeakPolarHBondContact CA-O 3.37Å; D81-V158 VanDerWaalsContact CB-O 3.23Å; D81-V158 WeakPolarHBondContact CB-O 3.26Å; Y82-V158 HydrophobicContact CD1-CB 4.5Å; Y82-V158 HydrophobicContact CE1-CB 3.85Å; Y82-V158 HydrophobicContact CE1-CG1 4.07Å; Y82-V158 HydrophobicContact CE2-CB 4.34Å; Y82-V158 PolarHBondContact N-O 2.94Å; Y82-V158 PolarHBondContact O-N 2.96Å; I122-V158 HydrophobicContact CG2-CG2 3.94Å; E124-V158 HydrophobicContact CB-CG1 3.95Å; E124-V158 WeakPolarHBondContact O-CA 3.48Å; T156-V158 HydrophobicContact CG2-CG2 3.71Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.28Å; V158-C160 PolarHBondContact O-N 3.02Å; V158-L176 HydrophobicContact CG2-CD1 3.92Å
159	A	96.4	Very high	93.2	Very high	30 Å²	30	31.5 Å²	31.5	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134	174.7	0	0	0	0	0	110.7	M80 E124	M80-A159 WeakPolarHBondContact O-CA 3.36Å; E124-A159 HydrophobicContact CB-CB 4.33Å; E124-A159 PolarHBondContact O-N 3.35Å
160	C	95	Very high	93.1	Very high	7 Å²	7	30.9 Å²	30.9	5%	0.047	17%	0.165	C	C	.	.			trans	-138.4	108.9	172.5	176.6	0	0	0	0	108	M80 Y82 V158 M162 C174	M80-C160 CarbonylContact C-O 3.57Å; M80-C160 WeakPolarHBondContact CA-O 3.28Å; M80-C160 WeakPolarHBondContact CB-O 3.42Å; M80-C160 CarbonylContact O-C 3.58Å; M80-C160 PolarHBondContact O-N 2.86Å; Y82-C160 HydrophobicContact CD1-CB 3.64Å; Y82-C160 HydrophobicContact CE1-CB 3.91Å; V158-C160 PolarHBondContact O-N 3.02Å; C160-M162 HydrophobicContact CB-CE 4.2Å; C160-M162 PolarHBondContact O-N 3.09Å; C160-C174 HydrophobicContact CB-CB 3.91Å; C160-C174 WeakPolarHBondContact CB-SG 3.31Å; C160-C174 WeakPolarHBondContact SG-CA 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.42Å; C160-C174 CovalentContact SG-SG 2.05Å; C160-C174 PolarHBondContact SG-SG 2.85Å
161	N	91.6	Very high	93	Very high	142 Å²	142	33.4 Å²	33.4	76%	0.759	18%	0.182	S	C	*	.			trans	-73.8	109.9	177.4	-166.3	19.4	0	0	0	109.5
162	M	90.3	Very high	92.9	Very high	8 Å²	8	33 Å²	33	4%	0.039	18%	0.177	C	C	.	.			trans	-98.2	141.2	-175.2	-64.2	173.5	-157.8	0	0	110.8	I75 E77 M80 C160 L164 Q172	I75-M162 HydrophobicContact CG2-CE 3.59Å; I75-M162 HydrophobicContact CG2-SD 4.28Å; E77-M162 HydrophobicContact CG-SD 4.33Å; M80-M162 HydrophobicContact CE-CB 4.39Å; M80-M162 WeakPolarHBondContact CE-O 3.42Å; M80-M162 HydrophobicContact SD-CB 3.85Å; M80-M162 HydrophobicContact SD-CG 4.42Å; C160-M162 HydrophobicContact CB-CE 4.2Å; C160-M162 PolarHBondContact O-N 3.09Å; M162-L164 HydrophobicContact CB-CD2 4.29Å; M162-Q172 HydrophobicContact CB-CG 4.21Å; M162-Q172 VanDerWaalsContact CB-OE1 3.26Å; M162-Q172 HydrophobicContact CG-CB 4.34Å; M162-Q172 HydrophobicContact CG-CG 4.06Å; M162-Q172 HydrophobicContact SD-CG 4.39Å
163	D	89.8	Confident	93	Very high	104 Å²	104	35 Å²	35	56%	0.556	19%	0.19	S	C	*	.			trans	-95.5	104.5	170.8	179.8	12.2	0	0	0	110.3	S165 Q172	D163-S165 VanDerWaalsContact CG-OG 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.31Å; D163-S165 PolarHBondContact OD1-N 3.38Å; D163-S165 PolarHBondContact OD1-OG 2.87Å; D163-S165 PolarHBondContact OD2-OG 2.99Å; D163-S165 VanDerWaalsContact OD2-OG 3.05Å; D163-Q172 PolarHBondContact O-NE2 3.41Å
164	L	88.9	Confident	93.1	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.11	18%	0.176	C	C	.	.			trans	-91.9	9.3	-177.8	-57.6	176.2	0	0	0	113.3	E77 M162 K166 Y167	E77-L164 HydrophobicContact CB-CD1 4.16Å; E77-L164 HydrophobicContact CB-CD2 4.5Å; E77-L164 HydrophobicContact CG-CD2 4.29Å; M162-L164 HydrophobicContact CB-CD2 4.29Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.18Å; L164-Y167 HydrophobicContact CD2-CD2 4.41Å; L164-Y167 WeakPolarHBondContact O-CB 3.43Å; L164-Y167 PolarHBondContact O-N 3.47Å
165	S	88	Confident	93.2	Very high	46 Å²	46	34.8 Å²	34.8	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-43.3	179.8	60	0	0	0	0	112.6	D163 Y167 A305	D163-S165 VanDerWaalsContact CG-OG 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.31Å; D163-S165 PolarHBondContact OD1-N 3.38Å; D163-S165 PolarHBondContact OD1-OG 2.87Å; D163-S165 PolarHBondContact OD2-OG 2.99Å; D163-S165 VanDerWaalsContact OD2-OG 3.05Å; S165-Y167 VanDerWaalsContact C-N 3.35Å; S165-Y167 PolarHBondContact O-N 3.34Å; S165-A305 PolarHBondContact O-N 2.05Å
166	K	90.2	Very high	93.2	Very high	76 Å²	76	34.6 Å²	34.6	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10.1	179.3	-62.3	-169.7	-176.8	-170.5	0	114.8	L164 M169 D170 F440	L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.18Å; K166-M169 CarbonylContact O-C 3.57Å; K166-M169 WeakPolarHBondContact O-CA 3.46Å; K166-M169 PolarHBondContact O-N 2.81Å; K166-D170 HydrophobicContact CB-CB 4.39Å; K166-F440 WeakPolarHBondContact CE-OXT 3.17Å; K166-F440 PolarHBondContact NZ-O 2.91Å; K166-F440 PolarHBondContact NZ-OXT 3.25Å
167	Y	90	Very high	93.2	Very high	8 Å²	8	36 Å²	36	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.7	-177.3	178.6	-84.6	0	0	0	112.3	L164 S165 F245 L296 K304 A305 I306	L164-Y167 HydrophobicContact CD2-CD2 4.41Å; L164-Y167 WeakPolarHBondContact O-CB 3.43Å; L164-Y167 PolarHBondContact O-N 3.47Å; S165-Y167 VanDerWaalsContact C-N 3.35Å; S165-Y167 PolarHBondContact O-N 3.34Å; Y167-F245 HydrophobicContact CE1-CE1 4.48Å; Y167-F245 AromaticContact CZ-CE1 3.85Å; Y167-F245 WeakPolarHBondContact OH-CE1 3.2Å; Y167-F245 WeakPolarHBondContact OH-CZ 3.41Å; Y167-L296 HydrophobicContact CD1-CD1 3.98Å; Y167-L296 HydrophobicContact CE1-CD1 3.42Å; Y167-L296 VanDerWaalsContact CE1-CD1 3.42Å; Y167-L296 HydrophobicContact CE2-CD1 4.05Å; Y167-L296 HydrophobicContact CE2-CD2 3.89Å; Y167-L296 VanDerWaalsContact CZ-CD1 3.43Å; Y167-K304 HydrophobicContact CD1-CD 4.14Å; Y167-K304 HydrophobicContact CG-CD 4.23Å; Y167-A305 WeakPolarHBondContact O-CB 3.34Å; Y167-I306 HydrophobicContact CD1-CB 4.44Å; Y167-I306 HydrophobicContact CD1-CG2 3.8Å; Y167-I306 HydrophobicContact CE1-CD1 4.42Å; Y167-I306 HydrophobicContact CE1-CG2 4.18Å; Y167-I306 PolarHBondContact O-N 3.35Å
168	P	91.1	Very high	93.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	10.6	7	38.2	-37	0	0	0	115.2	D170 R240 V242 F245 Y250	P168-D170 WeakPolarHBondContact CA-OD1 3.16Å; P168-D170 PolarHBondContact O-N 3.39Å; P168-R240 WeakPolarHBondContact O-CD 3.26Å; P168-V242 HydrophobicContact CG-CG1 4.29Å; P168-F245 HydrophobicContact CB-CB 4.17Å; P168-F245 HydrophobicContact CB-CD1 4.28Å; P168-F245 HydrophobicContact CB-CD2 3.59Å; P168-F245 HydrophobicContact CB-CE2 4.05Å; P168-F245 HydrophobicContact CB-CG 3.72Å; P168-F245 HydrophobicContact CG-CB 3.78Å; P168-F245 HydrophobicContact CG-CD2 4.14Å; P168-F245 HydrophobicContact CG-CG 3.9Å; P168-Y250 HydrophobicContact CG-CE2 4.26Å
169	M	91.8	Very high	93.1	Very high	23 Å²	23	34.8 Å²	34.8	11%	0.113	19%	0.189	C	C	.	.	S	Bend	trans	-89.6	30	179.1	-67.9	174.4	-89.9	0	0	111.9	K166 V242 Y433 W434 Y437 L438	K166-M169 CarbonylContact O-C 3.57Å; K166-M169 WeakPolarHBondContact O-CA 3.46Å; K166-M169 PolarHBondContact O-N 2.81Å; M169-V242 HydrophobicContact CG-CG1 3.93Å; M169-V242 HydrophobicContact CG-CG2 3.98Å; M169-Y433 HydrophobicContact CE-CE1 3.9Å; M169-W434 HydrophobicContact CE-CE3 4.4Å; M169-W434 HydrophobicContact CE-CZ3 4.07Å; M169-W434 HydrophobicContact SD-CE3 4.05Å; M169-W434 HydrophobicContact SD-CZ3 3.72Å; M169-Y437 HydrophobicContact CE-CG 4.3Å; M169-L438 HydrophobicContact CG-CD2 4.48Å; M169-L438 HydrophobicContact SD-CD2 3.66Å; M169-L438 HydrophobicContact SD-CG 4.08Å
170	D	91.6	Very high	93.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.178	C	C	.	.			trans	-87.5	151.7	-173.4	57	-49.3	0	0	0	113.1	K166 P168 Q172 R240	K166-D170 HydrophobicContact CB-CB 4.39Å; P168-D170 WeakPolarHBondContact CA-OD1 3.16Å; P168-D170 PolarHBondContact O-N 3.39Å; D170-Q172 PolarHBondContact OD2-NE2 3.14Å; D170-R240 PolarHBondContact O-N 2.94Å; D170-R240 IonicContact OD1-CZ 3.63Å; D170-R240 IonicContact OD1-NE 3.19Å; D170-R240 PolarHBondContact OD1-NE 2.98Å; D170-R240 IonicContact OD1-NH2 3.87Å; D170-R240 IonicContact OD2-CZ 3.09Å; D170-R240 IonicContact OD2-NE 3.51Å; D170-R240 IonicContact OD2-NH2 3.7Å; D170-R240 PolarHBondContact OD2-NH2 3.4Å
171	T	93.1	Very high	92.9	Very high	69 Å²	69	41.8 Å²	41.8	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122	167.8	-57	0	0	0	0	108	E237 L238	T171-E237 HydrophobicContact CG2-CB 4.43Å; T171-L238 CarbonylContact C-O 3.48Å; T171-L238 WeakPolarHBondContact CA-O 3.41Å
172	Q	94.1	Very high	92.9	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.5	-176	-57.8	-55.9	-23.9	0	0	110.8	M162 D163 D170 E237 L238	M162-Q172 HydrophobicContact CB-CG 4.21Å; M162-Q172 VanDerWaalsContact CB-OE1 3.26Å; M162-Q172 HydrophobicContact CG-CB 4.34Å; M162-Q172 HydrophobicContact CG-CG 4.06Å; M162-Q172 HydrophobicContact SD-CG 4.39Å; D163-Q172 PolarHBondContact O-NE2 3.41Å; D170-Q172 PolarHBondContact OD2-NE2 3.14Å; Q172-E237 CarbonylContact O-C 3.52Å; Q172-E237 WeakPolarHBondContact O-CA 3.35Å; Q172-L238 HydrophobicContact CB-CB 4.35Å; Q172-L238 PolarHBondContact N-O 3.44Å; Q172-L238 PolarHBondContact O-N 3.24Å
173	T	95.4	Very high	93.1	Very high	59 Å²	59	39.3 Å²	39.3	36%	0.362	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106.5	176.2	-62.6	0	0	0	0	109.3	Q235	T173-Q235 VanDerWaalsContact CG2-CD 3.48Å; T173-Q235 HydrophobicContact CG2-CG 3.6Å
174	C	96.1	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	152.1	177.3	-66.3	0	0	0	0	111.5	Y82 C160 Q235 F236	Y82-C174 HydrophobicContact CD1-CB 4.16Å; Y82-C174 HydrophobicContact CE1-CB 3.88Å; C160-C174 HydrophobicContact CB-CB 3.91Å; C160-C174 WeakPolarHBondContact CB-SG 3.31Å; C160-C174 WeakPolarHBondContact SG-CA 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.42Å; C160-C174 CovalentContact SG-SG 2.05Å; C160-C174 PolarHBondContact SG-SG 2.85Å; C174-Q235 WeakPolarHBondContact O-CA 3.43Å; C174-F236 HydrophobicContact CB-CD2 4.39Å; C174-F236 HydrophobicContact CB-CE1 4.17Å; C174-F236 HydrophobicContact CB-CE2 3.75Å; C174-F236 HydrophobicContact CB-CZ 3.62Å; C174-F236 PolarHBondContact N-O 2.83Å; C174-F236 PolarHBondContact O-N 2.84Å
175	K	96.3	Very high	93.4	Very high	93 Å²	93	36 Å²	36	40%	0.404	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.7	-178.4	-59.3	177.6	-173.4	178.3	0	110	Y82 Q177 I233 L234 Q235	Y82-K175 PolarHBondContact OH-O 3.41Å; K175-Q177 HydrophobicContact CB-CG 4.39Å; K175-I233 HydrophobicContact CB-CG2 4.22Å; K175-I233 HydrophobicContact CD-CG2 4.34Å; K175-I233 HydrophobicContact CG-CG2 4.36Å; K175-L234 CarbonylContact C-O 3.44Å; K175-L234 VanDerWaalsContact CA-O 3.31Å; K175-L234 WeakPolarHBondContact CA-O 3.44Å; K175-Q235 VanDerWaalsContact CE-OE1 3.29Å; K175-Q235 HydrophobicContact CG-CB 4.34Å; K175-Q235 HydrophobicContact CG-CG 4.21Å
176	L	96.7	Very high	93.7	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.4	166.3	178.4	66.1	0	0	0	107.5	L67 I86 I122 V158 I233 L234	L67-L176 HydrophobicContact CD1-CD2 3.96Å; I86-L176 HydrophobicContact CD1-CD2 4.09Å; I86-L176 HydrophobicContact CG2-CD2 4.47Å; I122-L176 HydrophobicContact CG2-CD1 3.81Å; V158-L176 HydrophobicContact CG2-CD1 3.92Å; L176-I233 WeakPolarHBondContact O-CA 2.9Å; L176-L234 HydrophobicContact CB-CB 4.31Å; L176-L234 PolarHBondContact N-O 3.45Å; L176-L234 PolarHBondContact O-N 3.28Å
177	Q	96.6	Very high	93.9	Very high	29 Å²	29	38.2 Å²	38.2	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.8	-173	-60	-179.7	60.2	0	0	109.8	I122 V123 K175 R231 L232 I233	I122-Q177 WeakPolarHBondContact CA-O 3.38Å; V123-Q177 HydrophobicContact CB-CB 4.08Å; V123-Q177 HydrophobicContact CG2-CB 3.99Å; V123-Q177 PolarHBondContact N-O 3.19Å; K175-Q177 HydrophobicContact CB-CG 4.39Å; Q177-R231 HydrophobicContact CB-CG 4.42Å; Q177-L232 CarbonylContact C-O 3.51Å; Q177-L232 WeakPolarHBondContact CA-O 3.45Å; Q177-I233 HydrophobicContact CG-CG1 4.11Å; Q177-I233 HydrophobicContact CG-CG2 4.19Å
178	L	96.6	Very high	94.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.4	178.5	-62.5	166.4	0	0	0	109.6	L65 L67 L88 T120 Y121 I122 R231 L232	L65-L178 HydrophobicContact CD2-CD1 3.93Å; L67-L178 HydrophobicContact CD1-CD1 4.06Å; L67-L178 HydrophobicContact CD2-CD1 4.13Å; L67-L178 HydrophobicContact CG-CD1 4.37Å; L88-L178 HydrophobicContact CD1-CD1 4.16Å; T120-L178 HydrophobicContact CG2-CB 4.21Å; T120-L178 HydrophobicContact CG2-CD2 4.08Å; Y121-L178 WeakPolarHBondContact O-CA 3.38Å; I122-L178 HydrophobicContact CG1-CD2 3.62Å; L178-R231 WeakPolarHBondContact O-CA 3.5Å; L178-L232 HydrophobicContact CB-CB 4.37Å; L178-L232 PolarHBondContact N-O 3.43Å; L178-L232 PolarHBondContact O-N 3.01Å
179	E	95.8	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.8	-175.6	-170.2	167.5	-172.6	0	0	109.9	T120 Y121 V123 S222 Q224 Y229 R231	T120-E179 WeakPolarHBondContact CA-O 3.33Å; Y121-E179 HydrophobicContact CD1-CB 4.35Å; Y121-E179 WeakPolarHBondContact CD1-O 3.35Å; Y121-E179 HydrophobicContact CE1-CB 3.66Å; Y121-E179 HydrophobicContact CE1-CG 3.97Å; Y121-E179 PolarHBondContact N-O 3.48Å; Y121-E179 PolarHBondContact O-N 3.18Å; Y121-E179 VanDerWaalsContact O-N 3.13Å; Y121-E179 PolarHBondContact OH-OE2 3.39Å; V123-E179 HydrophobicContact CG2-CB 3.81Å; V123-E179 VanDerWaalsContact CG2-OE2 3.28Å; V123-E179 WeakPolarHBondContact CG2-OE2 3.42Å; E179-S222 WeakPolarHBondContact OE1-CB 3.47Å; E179-Q224 PolarHBondContact OE1-NE2 3Å; E179-Y229 WeakPolarHBondContact OE1-CB 3.24Å; E179-R231 IonicContact OE1-NH2 3.15Å; E179-R231 IonicContact OE2-CZ 3.6Å; E179-R231 IonicContact OE2-NE 3.64Å; E179-R231 PolarHBondContact OE2-NE 3.05Å; E179-R231 IonicContact OE2-NH2 2.94Å; E179-R231 PolarHBondContact OE2-NH2 3.29Å
180	S	95.4	Very high	94.6	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.7	172.3	171.1	0	0	0	0	109.2	D119 Y121 Y183 Y229	D119-S180 PolarHBondContact OD1-OG 3.05Å; Y121-S180 WeakPolarHBondContact CE1-O 3.39Å; S180-Y183 WeakPolarHBondContact OG-CB 3.25Å; S180-Y183 PolarHBondContact OG-N 3.23Å; S180-Y183 VanDerWaalsContact OG-N 3.14Å; S180-Y183 PolarHBondContact OG-O 3.42Å; S180-Y229 WeakPolarHBondContact O-CD1 3.27Å
181	W	92.1	Very high	94.8	Very high	179 Å²	179	41.3 Å²	41.3	68%	0.678	22%	0.22	S	C	*	.	S	Bend	trans	-76.5	-43	-176.7	-177.4	-99.2	0	0	0	113.1	D119 Y121	D119-W181 HydrophobicContact CB-CB 4.42Å; D119-W181 PolarHBondContact O-N 3.23Å; D119-W181 VanDerWaalsContact O-N 3.15Å; D119-W181 PolarHBondContact OD2-N 2.94Å; Y121-W181 HydrophobicContact CD1-CB 3.78Å; Y121-W181 AromaticContact CD1-CE3 3.88Å; Y121-W181 HydrophobicContact CD1-CE3 3.88Å; Y121-W181 AromaticContact CD2-CE3 3.85Å; Y121-W181 HydrophobicContact CD2-CE3 3.85Å; Y121-W181 HydrophobicContact CD2-CZ3 4.2Å; Y121-W181 HydrophobicContact CE1-CB 4.18Å; Y121-W181 AromaticContact CE1-CE3 3.8Å; Y121-W181 HydrophobicContact CE1-CE3 3.8Å; Y121-W181 AromaticContact CE2-CE3 3.74Å; Y121-W181 HydrophobicContact CE2-CE3 3.74Å; Y121-W181 AromaticContact CE2-CZ3 3.88Å; Y121-W181 HydrophobicContact CE2-CZ3 3.88Å; Y121-W181 HydrophobicContact CG-CB 4.49Å; Y121-W181 AromaticContact CG-CE3 3.92Å; Y121-W181 HydrophobicContact CG-CE3 3.92Å; Y121-W181 AromaticContact CZ-CE3 3.73Å
182	G	91.6	Very high	95	Very high	47 Å²	47	39.2 Å²	39.2	49%	0.485	20%	0.204	S	C	.	.	S	Bend	trans	-119.4	-16.3	-171.8	0	0	0	0	0	115.4	D119	D119-G182 WeakPolarHBondContact OD2-CA 3.29Å; D119-G182 PolarHBondContact OD2-N 3.19Å
183	Y	93.9	Very high	95.1	Very high	51 Å²	51	41.8 Å²	41.8	20%	0.2	22%	0.218	C	C	.	.			trans	-98.9	123.7	178.7	-58.6	-75.4	0	0	0	110.9	R53 W116 D119 S180 D187 V188 Y229	R53-Y183 HydrophobicContact CB-CE1 4.28Å; R53-Y183 HydrophobicContact CG-CE1 4.5Å; W116-Y183 HydrophobicContact CZ2-CE2 4.07Å; W116-Y183 AromaticContact NE1-CZ 3.8Å; W116-Y183 PolarHBondContact NE1-OH 3.45Å; D119-Y183 VanDerWaalsContact OD1-CD2 3.26Å; D119-Y183 WeakPolarHBondContact OD1-CD2 3.27Å; S180-Y183 WeakPolarHBondContact OG-CB 3.25Å; S180-Y183 PolarHBondContact OG-N 3.23Å; S180-Y183 VanDerWaalsContact OG-N 3.14Å; S180-Y183 PolarHBondContact OG-O 3.42Å; Y183-D187 HydrophobicContact CD1-CB 3.86Å; Y183-D187 HydrophobicContact CG-CB 4.29Å; Y183-V188 HydrophobicContact CD1-CG2 4.28Å; Y183-V188 HydrophobicContact CD2-CG2 3.93Å; Y183-V188 HydrophobicContact CG-CB 4.43Å; Y183-V188 HydrophobicContact CG-CG2 3.65Å; Y183-Y229 WeakPolarHBondContact O-CD1 3.34Å; Y183-Y229 WeakPolarHBondContact O-CE1 3.23Å
184	D	93.8	Very high	95	Very high	34 Å²	34	46.7 Å²	46.7	18%	0.182	23%	0.23	C	C	.	.			trans	-72.8	177.5	172.7	81.5	-10.4	0	0	0	111.2	N186 D187 V188	D184-N186 PolarHBondContact O-N 3.12Å; D184-N186 WeakPolarHBondContact OD1-CA 3.37Å; D184-N186 WeakPolarHBondContact OD1-CB 3.36Å; D184-N186 PolarHBondContact OD1-N 2.84Å; D184-N186 PolarHBondContact OD2-ND2 2.96Å; D184-D187 PolarHBondContact O-N 3.35Å; D184-D187 VanDerWaalsContact O-N 3.07Å; D184-D187 PolarHBondContact OD1-N 3.38Å; D184-V188 PolarHBondContact O-N 3.43Å
185	G	92.4	Very high	94.9	Very high	21 Å²	21	48.1 Å²	48.1	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.5	178.7	0	0	0	0	0	114.9	N228	G185-N228 PolarHBondContact N-O 3Å
186	N	92.9	Very high	94.6	Very high	119 Å²	119	47 Å²	47	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.8	172.7	-57.1	-53.7	0	0	0	111.3	P60 D184	P60-N186 WeakPolarHBondContact CB-O 3.31Å; D184-N186 PolarHBondContact O-N 3.12Å; D184-N186 WeakPolarHBondContact OD1-CA 3.37Å; D184-N186 WeakPolarHBondContact OD1-CB 3.36Å; D184-N186 PolarHBondContact OD1-N 2.84Å; D184-N186 PolarHBondContact OD2-ND2 2.96Å
187	D	94.2	Very high	94.4	Very high	50 Å²	50	52.3 Å²	52.3	27%	0.267	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-44.8	178.4	-79.6	-32.2	0	0	0	113.6	R53 P60 V61 Y183 D184	R53-D187 VanDerWaalsContact CZ-O 3.32Å; R53-D187 IonicContact CZ-OD1 3.7Å; R53-D187 IonicContact NE-OD1 2.9Å; R53-D187 PolarHBondContact NE-OD1 3.1Å; R53-D187 PolarHBondContact NH1-O 3.38Å; R53-D187 VanDerWaalsContact NH1-O 3.15Å; R53-D187 IonicContact NH2-OD1 3.62Å; R53-D187 PolarHBondContact NH2-OD1 3.14Å; P60-D187 CarbonylContact C-O 3.55Å; P60-D187 WeakPolarHBondContact CA-O 3.3Å; V61-D187 PolarHBondContact N-O 2.96Å; Y183-D187 HydrophobicContact CD1-CB 3.86Å; Y183-D187 HydrophobicContact CG-CB 4.29Å; D184-D187 PolarHBondContact O-N 3.35Å; D184-D187 VanDerWaalsContact O-N 3.07Å; D184-D187 PolarHBondContact OD1-N 3.38Å
188	V	95.4	Very high	94.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.7	-175.5	175	0	0	0	0	110.5	I63 Y183 D184 F190	I63-V188 HydrophobicContact CD1-CG1 3.61Å; I63-V188 HydrophobicContact CG1-CG1 3.94Å; Y183-V188 HydrophobicContact CD1-CG2 4.28Å; Y183-V188 HydrophobicContact CD2-CG2 3.93Å; Y183-V188 HydrophobicContact CG-CB 4.43Å; Y183-V188 HydrophobicContact CG-CG2 3.65Å; D184-V188 PolarHBondContact O-N 3.43Å; V188-F190 HydrophobicContact CG1-CD1 3.72Å; V188-F190 HydrophobicContact CG1-CE1 3.44Å; V188-F190 VanDerWaalsContact CG1-CE1 3.44Å; V188-F190 HydrophobicContact CG1-CZ 4.41Å
189	E	95.8	Very high	94.3	Very high	50 Å²	50	51.1 Å²	51.1	23%	0.234	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.2	175.5	-170.6	165.8	-146.3	0	0	110.4	V61 Q62 I63 T191 R221 T230	V61-E189 PolarHBondContact O-N 3.46Å; Q62-E189 PolarHBondContact NE2-OE2 3.18Å; I63-E189 PolarHBondContact N-O 2.59Å; E189-T191 HydrophobicContact CG-CG2 4.5Å; E189-R221 IonicContact OE1-NH2 3.7Å; E189-T230 HydrophobicContact CG-CG2 4.42Å
190	F	96.8	Very high	94.2	Very high	1 Å²	1	58 Å²	58	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.8	177.6	-72	-9.4	0	0	0	111.1	I63 L65 T120 V188 T230 L232	I63-F190 HydrophobicContact CB-CD1 3.88Å; I63-F190 HydrophobicContact CB-CE1 4.12Å; I63-F190 HydrophobicContact CD1-CE1 4.02Å; I63-F190 HydrophobicContact CG1-CD1 4.42Å; I63-F190 HydrophobicContact CG1-CE1 4.39Å; I63-F190 HydrophobicContact CG2-CE1 4.47Å; I63-F190 WeakPolarHBondContact O-CA 3.48Å; L65-F190 HydrophobicContact CD1-CB 4.26Å; L65-F190 HydrophobicContact CD1-CD1 4.07Å; L65-F190 HydrophobicContact CD1-CG 4.1Å; T120-F190 HydrophobicContact CG2-CE2 4.05Å; T120-F190 HydrophobicContact CG2-CZ 4.26Å; V188-F190 HydrophobicContact CG1-CD1 3.72Å; V188-F190 HydrophobicContact CG1-CE1 3.44Å; V188-F190 VanDerWaalsContact CG1-CE1 3.44Å; V188-F190 HydrophobicContact CG1-CZ 4.41Å; F190-T230 HydrophobicContact CB-CG2 4.09Å; F190-T230 VanDerWaalsContact O-CG2 3.3Å; F190-T230 WeakPolarHBondContact O-CG2 3.48Å; F190-L232 HydrophobicContact CB-CD1 3.93Å; F190-L232 HydrophobicContact CB-CD2 4.18Å; F190-L232 HydrophobicContact CB-CG 3.76Å
191	T	96.8	Very high	94	Very high	47 Å²	47	58.9 Å²	58.9	29%	0.288	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.3	178.6	57.1	0	0	0	0	111.5	I63 A64 L65 E189	I63-T191 PolarHBondContact O-N 3.45Å; A64-T191 CarbonylContact C-O 3.57Å; A64-T191 WeakPolarHBondContact CA-O 3.25Å; L65-T191 PolarHBondContact N-O 3.05Å; E189-T191 HydrophobicContact CG-CG2 4.5Å
192	W	97.3	Very high	93.8	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.7	168.5	-68.1	112.2	0	0	0	109.4	L67 R194 V199 T217 L218 L232 L234	L67-W192 HydrophobicContact CD1-CH2 3.6Å; L67-W192 HydrophobicContact CD1-CZ3 3.89Å; L67-W192 HydrophobicContact CG-CH2 4.19Å; L67-W192 HydrophobicContact CG-CZ3 3.96Å; W192-R194 PolarHBondContact O-N 3.33Å; W192-R194 VanDerWaalsContact O-N 3.11Å; W192-V199 HydrophobicContact CH2-CG2 4.29Å; W192-V199 HydrophobicContact CZ3-CG2 4.02Å; W192-T217 HydrophobicContact CD2-CG2 4.1Å; W192-T217 HydrophobicContact CE3-CG2 4.45Å; W192-T217 HydrophobicContact CH2-CG2 4.44Å; W192-T217 HydrophobicContact CZ2-CG2 4.09Å; W192-L218 PolarHBondContact NE1-O 3.23Å; W192-L232 HydrophobicContact CD2-CD1 4.18Å; W192-L232 HydrophobicContact CE3-CD1 4.43Å; W192-L232 HydrophobicContact CG-CD2 4.37Å; W192-L232 HydrophobicContact CH2-CB 4.38Å; W192-L232 HydrophobicContact CZ2-CB 3.7Å; W192-L232 HydrophobicContact CZ2-CD1 4.42Å; W192-L234 HydrophobicContact CH2-CB 4.4Å
193	L	95.4	Very high	93.6	Very high	60 Å²	60	55.1 Å²	55.1	31%	0.314	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.6	-174.9	-174.5	69.8	0	0	0	113.4	A64 L65 T66 S198	A64-L193 HydrophobicContact CB-CB 4.22Å; A64-L193 HydrophobicContact CB-CD1 3.62Å; L65-L193 PolarHBondContact O-N 3.19Å; L65-L193 VanDerWaalsContact O-N 3.11Å; T66-L193 HydrophobicContact CG2-CB 3.58Å; T66-L193 HydrophobicContact CG2-CD2 3.57Å; T66-L193 HydrophobicContact CG2-CG 4.22Å; L193-S198 PolarHBondContact N-OG 2.92Å
194	R	94.3	Very high	93.1	Very high	161 Å²	161	60.1 Å²	60.1	61%	0.608	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.6	39.3	-178.4	-60	-174.4	-178.4	177.9	-2.2	112.1	W192 N196 D197 S198	W192-R194 PolarHBondContact O-N 3.33Å; W192-R194 VanDerWaalsContact O-N 3.11Å; R194-N196 PolarHBondContact O-N 3.31Å; R194-D197 HydrophobicContact CB-CB 3.95Å; R194-D197 PolarHBondContact O-N 3.24Å; R194-D197 VanDerWaalsContact O-N 3.08Å; R194-S198 VanDerWaalsContact C-OG 3.28Å; R194-S198 WeakPolarHBondContact CA-OG 3.42Å; R194-S198 PolarHBondContact N-OG 3.17Å
195	G	92.6	Very high	92.8	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	53	-128	-177	0	0	0	0	0	112	D197 S198 T217	G195-D197 VanDerWaalsContact C-N 3.3Å; G195-D197 PolarHBondContact O-N 3.28Å; G195-S198 PolarHBondContact N-OG 2.89Å; G195-S198 WeakPolarHBondContact O-CB 3.33Å; G195-S198 PolarHBondContact O-N 3.45Å; G195-S198 VanDerWaalsContact O-N 3.1Å; G195-S198 PolarHBondContact O-OG 2.66Å; G195-T217 PolarHBondContact O-OG1 3.39Å
196	N	91.1	Very high	92.3	Very high	71 Å²	71	70.9 Å²	70.9	38%	0.38	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-60.7	-33.1	179.3	-78.3	2	0	0	0	113.8	R194 S198 V199 T217	R194-N196 PolarHBondContact O-N 3.31Å; N196-S198 PolarHBondContact O-N 3.02Å; N196-S198 VanDerWaalsContact O-N 3.11Å; N196-V199 PolarHBondContact O-N 3.27Å; N196-V199 VanDerWaalsContact O-N 3.09Å; N196-T217 PolarHBondContact N-OG1 3.48Å; N196-T217 WeakPolarHBondContact OD1-CB 3.49Å; N196-T217 PolarHBondContact OD1-N 3.15Å; N196-T217 PolarHBondContact OD1-OG1 3.28Å
197	D	92.9	Very high	92	Very high	116 Å²	116	66.7 Å²	66.7	62%	0.62	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-69.9	-8.7	179.5	-64.2	-17.3	0	0	0	113	R194 G195 V199	R194-D197 HydrophobicContact CB-CB 3.95Å; R194-D197 PolarHBondContact O-N 3.24Å; R194-D197 VanDerWaalsContact O-N 3.08Å; G195-D197 VanDerWaalsContact C-N 3.3Å; G195-D197 PolarHBondContact O-N 3.28Å; D197-V199 PolarHBondContact O-N 2.89Å
198	S	94.6	Very high	91.4	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.028	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-70	-18.3	172.5	-44.4	0	0	0	0	112.3	T66 L67 L193 R194 G195 N196	T66-S198 CarbonylContact C-O 3.58Å; T66-S198 WeakPolarHBondContact CA-O 3.22Å; T66-S198 WeakPolarHBondContact CB-O 3.47Å; L67-S198 PolarHBondContact N-O 3.36Å; L67-S198 VanDerWaalsContact O-O 3.08Å; L193-S198 PolarHBondContact N-OG 2.92Å; R194-S198 VanDerWaalsContact C-OG 3.28Å; R194-S198 WeakPolarHBondContact CA-OG 3.42Å; R194-S198 PolarHBondContact N-OG 3.17Å; G195-S198 PolarHBondContact N-OG 2.89Å; G195-S198 WeakPolarHBondContact O-CB 3.33Å; G195-S198 PolarHBondContact O-N 3.45Å; G195-S198 VanDerWaalsContact O-N 3.1Å; G195-S198 PolarHBondContact O-OG 2.66Å; N196-S198 PolarHBondContact O-N 3.02Å; N196-S198 VanDerWaalsContact O-N 3.11Å
199	V	95.4	Very high	90.9	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	-179.3	-178	0	0	0	0	109.2	L67 I69 W192 N196 D197 L202 Y215 T217 L234	L67-V199 HydrophobicContact CB-CG2 4.33Å; L67-V199 CarbonylContact O-C 3.6Å; L67-V199 VanDerWaalsContact O-CA 3.27Å; L67-V199 WeakPolarHBondContact O-CA 3.44Å; I69-V199 HydrophobicContact CD1-CG1 4.4Å; W192-V199 HydrophobicContact CH2-CG2 4.29Å; W192-V199 HydrophobicContact CZ3-CG2 4.02Å; N196-V199 PolarHBondContact O-N 3.27Å; N196-V199 VanDerWaalsContact O-N 3.09Å; D197-V199 PolarHBondContact O-N 2.89Å; V199-L202 HydrophobicContact CG1-CD1 4.41Å; V199-Y215 HydrophobicContact CB-CE2 4.3Å; V199-Y215 HydrophobicContact CG1-CD2 4.46Å; V199-Y215 HydrophobicContact CG1-CE2 4.37Å; V199-T217 HydrophobicContact CB-CG2 4.49Å; V199-T217 HydrophobicContact CG2-CG2 3.47Å; V199-T217 VanDerWaalsContact CG2-CG2 3.47Å; V199-L234 HydrophobicContact CG1-CD1 4.05Å; V199-L234 HydrophobicContact CG1-CD2 3.81Å; V199-L234 HydrophobicContact CG2-CD1 4.13Å; V199-L234 HydrophobicContact CG2-CD2 4.35Å
200	R	93.9	Very high	90.7	Very high	144 Å²	144	71.4 Å²	71.4	54%	0.543	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	167	179.2	-62.7	-175	-179.3	-169.4	-6.1	111.2	L67 D68 I69 L202	L67-R200 PolarHBondContact O-N 3.09Å; D68-R200 WeakPolarHBondContact CA-O 3.24Å; D68-R200 HydrophobicContact CB-CB 4.49Å; I69-R200 PolarHBondContact N-O 3.07Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.59Å
201	G	90.4	Very high	90.5	Very high	22 Å²	22	74.3 Å²	74.3	23%	0.227	37%	0.371	C	S	.	.	S	Bend	trans	94.1	-36.7	176.7	0	0	0	0	0	113.8	E203 H204 L205	G201-E203 VanDerWaalsContact C-N 3.29Å; G201-E203 PolarHBondContact O-N 3.11Å; G201-H204 PolarHBondContact O-N 3.24Å; G201-L205 WeakPolarHBondContact O-CG 3.37Å; G201-L205 PolarHBondContact O-N 3.34Å
202	L	89.1	Confident	90.3	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.016	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-52.8	-41.4	-176.7	-103.1	65.6	0	0	0	114.3	I69 V199 R200 H204 L205 I212 Y215 F236	I69-L202 HydrophobicContact CB-CD1 3.52Å; I69-L202 HydrophobicContact CD1-CD1 3.15Å; I69-L202 HydrophobicContact CG1-CD1 3.69Å; I69-L202 HydrophobicContact CG2-CD1 3.86Å; V199-L202 HydrophobicContact CG1-CD1 4.41Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 2.59Å; L202-H204 PolarHBondContact O-N 3.44Å; L202-L205 HydrophobicContact CD1-CD1 4.19Å; L202-L205 HydrophobicContact CG-CD1 4.39Å; L202-L205 PolarHBondContact O-N 3.3Å; L202-I212 HydrophobicContact CD2-CG2 4.37Å; L202-I212 HydrophobicContact CG-CD1 4.01Å; L202-Y215 HydrophobicContact CB-CD1 4.04Å; L202-Y215 HydrophobicContact CB-CE1 4.05Å; L202-Y215 HydrophobicContact CD2-CD1 3.76Å; L202-Y215 HydrophobicContact CD2-CD2 4.22Å; L202-Y215 HydrophobicContact CD2-CG 3.58Å; L202-F236 HydrophobicContact CD2-CB 3.9Å; L202-F236 HydrophobicContact CD2-CG 4.4Å
203	E	86	Confident	89.9	Confident	144 Å²	144	76.7 Å²	76.7	67%	0.673	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.1	-177.3	-59.6	179.5	176.8	0	0	113.7	G201 Y215	G201-E203 VanDerWaalsContact C-N 3.29Å; G201-E203 PolarHBondContact O-N 3.11Å; E203-Y215 HydrophobicContact CG-CE1 4.14Å; E203-Y215 PolarHBondContact OE1-OH 2.82Å
204	H	84.8	Confident	89.8	Confident	157 Å²	157	82 Å²	82	73%	0.727	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-105.6	-0.7	-176.5	-58	-38	0	0	0	113	G201 L202 R206	G201-H204 PolarHBondContact O-N 3.24Å; L202-H204 PolarHBondContact O-N 3.44Å; H204-R206 PolarHBondContact O-N 3.13Å
205	L	87.7	Confident	89.8	Confident	35 Å²	35	76.7 Å²	76.7	18%	0.183	38%	0.377	C	S	.	.			trans	-71.6	122.5	-179.1	-69.8	177.1	0	0	0	110.8	I69 A70 I72 G201 L202 I212	I69-L205 HydrophobicContact CG2-CD1 3.82Å; A70-L205 WeakPolarHBondContact O-CD2 3.38Å; I72-L205 HydrophobicContact CD1-CD1 4.05Å; I72-L205 HydrophobicContact CG1-CD1 4.18Å; G201-L205 WeakPolarHBondContact O-CG 3.37Å; G201-L205 PolarHBondContact O-N 3.34Å; L202-L205 HydrophobicContact CD1-CD1 4.19Å; L202-L205 HydrophobicContact CG-CD1 4.39Å; L202-L205 PolarHBondContact O-N 3.3Å; L205-I212 HydrophobicContact CB-CD1 3.96Å; L205-I212 HydrophobicContact CD1-CD1 3.86Å; L205-I212 HydrophobicContact CG-CD1 4.5Å
206	R	80.4	Confident	90	Very high	245 Å²	245	78.3 Å²	78.3	93%	0.925	38%	0.375	S	S	*	.			trans	-104.3	103.9	169.5	-66.7	-172.3	178.1	180	-0.2	109.2	H204	H204-R206 PolarHBondContact O-N 3.13Å
207	L	86.9	Confident	90.2	Very high	32 Å²	32	75.7 Å²	75.7	17%	0.168	36%	0.362	C	S	.	.			trans	-88.6	146.3	171.9	-76.3	155.9	0	0	0	109.1	I72 I75 Y210 I212 L238	I72-L207 HydrophobicContact CB-CD2 3.87Å; I72-L207 HydrophobicContact CD1-CD1 4.46Å; I72-L207 HydrophobicContact CG2-CD2 3.87Å; I72-L207 WeakPolarHBondContact O-CD2 3.44Å; I75-L207 HydrophobicContact CD1-CD2 4.12Å; L207-Y210 WeakPolarHBondContact CB-O 3.34Å; L207-I212 HydrophobicContact CD1-CD1 4.23Å; L207-I212 HydrophobicContact CD1-CG1 3.99Å; L207-L238 HydrophobicContact CD1-CD2 3.85Å
208	A	81.3	Confident	90.4	Very high	100 Å²	100	73.6 Å²	73.6	83%	0.826	35%	0.35	S	S	*	.	S	Bend	trans	-71.6	-45.2	-178.7	0	0	0	0	0	112.3
209	Q	86.3	Confident	90.4	Very high	98 Å²	98	77.2 Å²	77.2	46%	0.458	37%	0.372	S	S	.	.	S	Bend	trans	-101.3	-17.9	-173.8	-70	176	-32.6	0	0	113.9	N241	Q209-N241 PolarHBondContact O-N 3.12Å
210	Y	91.3	Very high	90.4	Very high	3 Å²	3	79.5 Å²	79.5	1%	0.012	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.4	-172.8	-66.4	-92.8	0	0	0	111.3	I75 E77 L207 L238 R239 R240	I75-Y210 HydrophobicContact CB-CE2 4.05Å; I75-Y210 HydrophobicContact CD1-CD2 3.41Å; I75-Y210 VanDerWaalsContact CD1-CD2 3.41Å; I75-Y210 HydrophobicContact CD1-CE2 3.75Å; I75-Y210 HydrophobicContact CD1-CG 3.96Å; I75-Y210 HydrophobicContact CG2-CE2 3.88Å; E77-Y210 PolarHBondContact OE1-OH 2.95Å; L207-Y210 WeakPolarHBondContact CB-O 3.34Å; Y210-L238 HydrophobicContact CD1-CB 3.94Å; Y210-R239 CarbonylContact C-O 3.59Å; Y210-R239 VanDerWaalsContact CA-O 3.29Å; Y210-R239 WeakPolarHBondContact CA-O 3.16Å; Y210-R240 HydrophobicContact CD1-CB 4.17Å; Y210-R240 HydrophobicContact CE1-CB 4.13Å; Y210-R240 HydrophobicContact CE1-CG 4.43Å; Y210-R240 VanDerWaalsContact CZ-NH1 3.33Å; Y210-R240 PolarHBondContact OH-NH1 3.44Å; Y210-R240 PolarHBondContact OH-NH2 3.44Å
211	T	91.8	Very high	90.4	Very high	61 Å²	61	80.8 Å²	80.8	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	170	50.5	0	0	0	0	108.1	L238 R239 N241	T211-L238 CarbonylContact O-C 3.58Å; T211-L238 WeakPolarHBondContact O-CA 3.44Å; T211-R239 PolarHBondContact N-O 2.77Å; T211-R239 PolarHBondContact O-N 2.97Å; T211-R239 PolarHBondContact OG1-O 3.49Å; T211-N241 WeakPolarHBondContact CG2-OD1 3.16Å
212	I	92.3	Very high	90.4	Very high	37 Å²	37	80.7 Å²	80.7	19%	0.19	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.2	176.8	-60.5	175.3	0	0	0	106.8	I72 L202 L205 L207 E237 L238	I72-I212 HydrophobicContact CD1-CD1 4.3Å; L202-I212 HydrophobicContact CD2-CG2 4.37Å; L202-I212 HydrophobicContact CG-CD1 4.01Å; L205-I212 HydrophobicContact CB-CD1 3.96Å; L205-I212 HydrophobicContact CD1-CD1 3.86Å; L205-I212 HydrophobicContact CG-CD1 4.5Å; L207-I212 HydrophobicContact CD1-CD1 4.23Å; L207-I212 HydrophobicContact CD1-CG1 3.99Å; I212-E237 WeakPolarHBondContact CA-O 3.4Å; I212-L238 HydrophobicContact CG1-CD2 3.91Å
213	E	90.3	Very high	90.6	Very high	85 Å²	85	89 Å²	89	40%	0.397	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-53.8	178.7	-74.2	-160.2	148.5	0	0	111.5	E237 R239	E213-E237 PolarHBondContact N-O 3.33Å; E213-R239 HydrophobicContact CG-CB 3.86Å; E213-R239 WeakPolarHBondContact OE1-CD 3.4Å; E213-R239 IonicContact OE1-CZ 3.71Å; E213-R239 IonicContact OE1-NE 3.8Å; E213-R239 IonicContact OE1-NH1 3.6Å; E213-R239 PolarHBondContact OE1-NH1 3.02Å
214	R	92.7	Very high	90.8	Very high	170 Å²	170	85.2 Å²	85.2	64%	0.642	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	153	-173.9	-64.5	178.9	178.7	154	0.6	110.9	F236 E237	R214-F236 CarbonylContact O-C 3.01Å; R214-F236 WeakPolarHBondContact O-CA 3.4Å; R214-E237 PolarHBondContact O-N 3.26Å
215	Y	94.8	Very high	91	Very high	50 Å²	50	87.6 Å²	87.6	20%	0.196	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.6	169.5	67.6	-88.2	0	0	0	110.8	V199 L202 E203 L234 Q235	V199-Y215 HydrophobicContact CB-CE2 4.3Å; V199-Y215 HydrophobicContact CG1-CD2 4.46Å; V199-Y215 HydrophobicContact CG1-CE2 4.37Å; L202-Y215 HydrophobicContact CB-CD1 4.04Å; L202-Y215 HydrophobicContact CB-CE1 4.05Å; L202-Y215 HydrophobicContact CD2-CD1 3.76Å; L202-Y215 HydrophobicContact CD2-CD2 4.22Å; L202-Y215 HydrophobicContact CD2-CG 3.58Å; E203-Y215 HydrophobicContact CG-CE1 4.14Å; E203-Y215 PolarHBondContact OE1-OH 2.82Å; Y215-L234 HydrophobicContact CD2-CD1 4.26Å; Y215-Q235 CarbonylContact C-O 3.59Å; Y215-Q235 WeakPolarHBondContact CA-O 3.49Å; Y215-Q235 WeakPolarHBondContact CB-O 3.28Å
216	F	95.4	Very high	91.2	Very high	64 Å²	64	90.9 Å²	90.9	28%	0.281	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.4	176.9	56.7	-89.7	0	0	0	111.3	L218 Q235	F216-L218 HydrophobicContact CD2-CD1 4.12Å; F216-L218 HydrophobicContact CD2-CD2 4.16Å; F216-L218 HydrophobicContact CD2-CG 3.85Å; F216-L218 HydrophobicContact CE2-CD1 3.65Å; F216-L218 HydrophobicContact CE2-CD2 4.26Å; F216-L218 HydrophobicContact CE2-CG 3.9Å; F216-Q235 HydrophobicContact CD1-CB 4.46Å; F216-Q235 HydrophobicContact CD2-CB 4.18Å; F216-Q235 HydrophobicContact CE1-CB 4.12Å; F216-Q235 HydrophobicContact CE1-CG 3.88Å; F216-Q235 HydrophobicContact CE2-CB 3.81Å; F216-Q235 HydrophobicContact CE2-CG 4.17Å; F216-Q235 HydrophobicContact CZ-CB 3.82Å; F216-Q235 HydrophobicContact CZ-CG 3.67Å; F216-Q235 PolarHBondContact N-O 2.71Å; F216-Q235 PolarHBondContact O-N 3.25Å
217	T	96.4	Very high	91.7	Very high	17 Å²	17	80.2 Å²	80.2	10%	0.104	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.3	179.1	60.5	0	0	0	0	110.3	W192 G195 N196 V199 I233 L234	W192-T217 HydrophobicContact CD2-CG2 4.1Å; W192-T217 HydrophobicContact CE3-CG2 4.45Å; W192-T217 HydrophobicContact CH2-CG2 4.44Å; W192-T217 HydrophobicContact CZ2-CG2 4.09Å; G195-T217 PolarHBondContact O-OG1 3.39Å; N196-T217 PolarHBondContact N-OG1 3.48Å; N196-T217 WeakPolarHBondContact OD1-CB 3.49Å; N196-T217 PolarHBondContact OD1-N 3.15Å; N196-T217 PolarHBondContact OD1-OG1 3.28Å; V199-T217 HydrophobicContact CB-CG2 4.49Å; V199-T217 HydrophobicContact CG2-CG2 3.47Å; V199-T217 VanDerWaalsContact CG2-CG2 3.47Å; T217-I233 CarbonylContact C-O 3.59Å; T217-I233 WeakPolarHBondContact CA-O 3.4Å; T217-L234 HydrophobicContact CG2-CD1 4.48Å
218	L	96.1	Very high	92.1	Very high	71 Å²	71	82 Å²	82	37%	0.372	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.1	175.7	-61.4	166.6	0	0	0	109.6	W192 F216 I233	W192-L218 PolarHBondContact NE1-O 3.23Å; F216-L218 HydrophobicContact CD2-CD1 4.12Å; F216-L218 HydrophobicContact CD2-CD2 4.16Å; F216-L218 HydrophobicContact CD2-CG 3.85Å; F216-L218 HydrophobicContact CE2-CD1 3.65Å; F216-L218 HydrophobicContact CE2-CD2 4.26Å; F216-L218 HydrophobicContact CE2-CG 3.9Å; L218-I233 HydrophobicContact CB-CB 4.21Å; L218-I233 PolarHBondContact N-O 2.82Å; L218-I233 PolarHBondContact O-N 3.4Å
219	V	95.8	Very high	92.8	Very high	80 Å²	80	77.8 Å²	77.8	49%	0.485	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.1	167.8	-173.2	0	0	0	0	106.8	T230 L232	V219-T230 HydrophobicContact CG1-CG2 3.96Å; V219-L232 HydrophobicContact CB-CD2 4.28Å; V219-L232 HydrophobicContact CG1-CD2 4.03Å; V219-L232 HydrophobicContact CG2-CD2 3.67Å
220	T	94.9	Very high	93.2	Very high	52 Å²	52	73.4 Å²	73.4	32%	0.319	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	168	-179.3	56.6	0	0	0	0	109.6	R231 I233	T220-R231 PolarHBondContact N-O 3.04Å; T220-R231 PolarHBondContact O-N 2.93Å; T220-R231 PolarHBondContact OG1-O 3.21Å; T220-I233 HydrophobicContact CG2-CD1 3.98Å; T220-I233 WeakPolarHBondContact OG1-CD1 3.12Å
221	R	93.4	Very high	93.4	Very high	171 Å²	171	75.5 Å²	75.5	65%	0.645	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	174.8	-73.9	-174.4	178.9	176.8	-2.5	109.1	E189 N228 Y229	E189-R221 IonicContact OE1-NH2 3.7Å; R221-N228 WeakPolarHBondContact CB-OD1 3.45Å; R221-Y229 CarbonylContact C-O 3.56Å; R221-Y229 WeakPolarHBondContact CA-O 3.4Å
222	S	91.1	Very high	93.6	Very high	19 Å²	19	72.6 Å²	72.6	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.5	178.8	-177.6	0	0	0	0	109.4	E179 Q224 N228 Y229 R231	E179-S222 WeakPolarHBondContact OE1-CB 3.47Å; S222-Q224 PolarHBondContact O-N 2.68Å; S222-N228 PolarHBondContact O-OD1 3.24Å; S222-Y229 PolarHBondContact N-O 2.87Å; S222-Y229 PolarHBondContact O-N 3.44Å; S222-R231 VanDerWaalsContact CB-NH2 3.29Å; S222-R231 PolarHBondContact OG-NH2 3.09Å
223	Q	92.6	Very high	93.9	Very high	178 Å²	178	71.5 Å²	71.5	83%	0.832	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	116.9	173.3	-170.5	172.1	10.4	0	0	109.1
224	Q	89.8	Confident	94.2	Very high	64 Å²	64	67.5 Å²	67.5	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	169	173.7	-54.2	-176.8	23.9	0	0	109	E179 S222 T226 G227 Y229	E179-Q224 PolarHBondContact OE1-NE2 3Å; S222-Q224 PolarHBondContact O-N 2.68Å; Q224-T226 PolarHBondContact O-N 3.23Å; Q224-G227 PolarHBondContact N-O 3.47Å; Q224-G227 PolarHBondContact O-N 3Å; Q224-G227 VanDerWaalsContact O-O 3.1Å; Q224-Y229 HydrophobicContact CB-CD2 4.05Å; Q224-Y229 HydrophobicContact CB-CE2 3.95Å; Q224-Y229 HydrophobicContact CG-CD2 3.79Å; Q224-Y229 HydrophobicContact CG-CE2 4.12Å
225	E	90.6	Very high	94.3	Very high	208 Å²	208	60.8 Å²	60.8	97%	0.972	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.1	177.7	-63.2	-174.7	168.3	0	0	112.4
226	T	90.7	Very high	94.4	Very high	103 Å²	103	58.6 Å²	58.6	63%	0.632	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.3	-177.9	50.4	0	0	0	0	113.7	Q224 Y229	Q224-T226 PolarHBondContact O-N 3.23Å; T226-Y229 WeakPolarHBondContact CB-OH 3.43Å; T226-Y229 VanDerWaalsContact OG1-CE2 3.25Å; T226-Y229 WeakPolarHBondContact OG1-CE2 3.32Å; T226-Y229 PolarHBondContact OG1-OH 3.3Å
227	G	92.2	Very high	94.4	Very high	22 Å²	22	57.5 Å²	57.5	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-171	-176	0	0	0	0	0	113.7	Q224 Y229	Q224-G227 PolarHBondContact N-O 3.47Å; Q224-G227 PolarHBondContact O-N 3Å; Q224-G227 VanDerWaalsContact O-O 3.1Å; G227-Y229 WeakPolarHBondContact O-CD2 3.33Å
228	N	94.8	Very high	94.2	Very high	69 Å²	69	56.7 Å²	56.7	37%	0.369	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.3	178.2	-168.8	8.4	0	0	0	110.1	G185 R221 S222	G185-N228 PolarHBondContact N-O 3Å; R221-N228 WeakPolarHBondContact CB-OD1 3.45Å; S222-N228 PolarHBondContact O-OD1 3.24Å
229	Y	95	Very high	94.1	Very high	11 Å²	11	59.3 Å²	59.3	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.2	-172.6	-68	-97	0	0	0	111.2	E179 S180 Y183 R221 S222 Q224 T226 G227	E179-Y229 WeakPolarHBondContact OE1-CB 3.24Å; S180-Y229 WeakPolarHBondContact O-CD1 3.27Å; Y183-Y229 WeakPolarHBondContact O-CD1 3.34Å; Y183-Y229 WeakPolarHBondContact O-CE1 3.23Å; R221-Y229 CarbonylContact C-O 3.56Å; R221-Y229 WeakPolarHBondContact CA-O 3.4Å; S222-Y229 PolarHBondContact N-O 2.87Å; S222-Y229 PolarHBondContact O-N 3.44Å; Q224-Y229 HydrophobicContact CB-CD2 4.05Å; Q224-Y229 HydrophobicContact CB-CE2 3.95Å; Q224-Y229 HydrophobicContact CG-CD2 3.79Å; Q224-Y229 HydrophobicContact CG-CE2 4.12Å; T226-Y229 WeakPolarHBondContact CB-OH 3.43Å; T226-Y229 VanDerWaalsContact OG1-CE2 3.25Å; T226-Y229 WeakPolarHBondContact OG1-CE2 3.32Å; T226-Y229 PolarHBondContact OG1-OH 3.3Å; G227-Y229 WeakPolarHBondContact O-CD2 3.33Å
230	T	94.9	Very high	93.9	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.2	175.2	-55.5	0	0	0	0	110	E189 F190 V219	E189-T230 HydrophobicContact CG-CG2 4.42Å; F190-T230 HydrophobicContact CB-CG2 4.09Å; F190-T230 VanDerWaalsContact O-CG2 3.3Å; F190-T230 WeakPolarHBondContact O-CG2 3.48Å; V219-T230 HydrophobicContact CG1-CG2 3.96Å
231	R	95.8	Very high	93.7	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.177	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.8	-177.6	-175.4	179.2	-69.1	162.2	5.5	111.5	Q177 L178 E179 T220 S222 I233	Q177-R231 HydrophobicContact CB-CG 4.42Å; L178-R231 WeakPolarHBondContact O-CA 3.5Å; E179-R231 IonicContact OE1-NH2 3.15Å; E179-R231 IonicContact OE2-CZ 3.6Å; E179-R231 IonicContact OE2-NE 3.64Å; E179-R231 PolarHBondContact OE2-NE 3.05Å; E179-R231 IonicContact OE2-NH2 2.94Å; E179-R231 PolarHBondContact OE2-NH2 3.29Å; T220-R231 PolarHBondContact N-O 3.04Å; T220-R231 PolarHBondContact O-N 2.93Å; T220-R231 PolarHBondContact OG1-O 3.21Å; S222-R231 VanDerWaalsContact CB-NH2 3.29Å; S222-R231 PolarHBondContact OG-NH2 3.09Å; R231-I233 HydrophobicContact CG-CG1 4.11Å
232	L	96.9	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.3	171.3	-61.2	-172.6	0	0	0	110	L65 Q177 L178 F190 W192 V219	L65-L232 HydrophobicContact CB-CD1 3.81Å; L65-L232 HydrophobicContact CD1-CD1 3.95Å; L65-L232 HydrophobicContact CD2-CD1 3.98Å; L65-L232 HydrophobicContact CG-CD1 4.1Å; Q177-L232 CarbonylContact C-O 3.51Å; Q177-L232 WeakPolarHBondContact CA-O 3.45Å; L178-L232 HydrophobicContact CB-CB 4.37Å; L178-L232 PolarHBondContact N-O 3.43Å; L178-L232 PolarHBondContact O-N 3.01Å; F190-L232 HydrophobicContact CB-CD1 3.93Å; F190-L232 HydrophobicContact CB-CD2 4.18Å; F190-L232 HydrophobicContact CB-CG 3.76Å; W192-L232 HydrophobicContact CD2-CD1 4.18Å; W192-L232 HydrophobicContact CE3-CD1 4.43Å; W192-L232 HydrophobicContact CG-CD2 4.37Å; W192-L232 HydrophobicContact CH2-CB 4.38Å; W192-L232 HydrophobicContact CZ2-CB 3.7Å; W192-L232 HydrophobicContact CZ2-CD1 4.42Å; V219-L232 HydrophobicContact CB-CD2 4.28Å; V219-L232 HydrophobicContact CG1-CD2 4.03Å; V219-L232 HydrophobicContact CG2-CD2 3.67Å
233	I	97.1	Very high	93.5	Very high	15 Å²	15	54.8 Å²	54.8	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	-178.8	-50.4	-178.3	0	0	0	108.7	K175 L176 Q177 T217 L218 T220 R231	K175-I233 HydrophobicContact CB-CG2 4.22Å; K175-I233 HydrophobicContact CD-CG2 4.34Å; K175-I233 HydrophobicContact CG-CG2 4.36Å; L176-I233 WeakPolarHBondContact O-CA 2.9Å; Q177-I233 HydrophobicContact CG-CG1 4.11Å; Q177-I233 HydrophobicContact CG-CG2 4.19Å; T217-I233 CarbonylContact C-O 3.59Å; T217-I233 WeakPolarHBondContact CA-O 3.4Å; L218-I233 HydrophobicContact CB-CB 4.21Å; L218-I233 PolarHBondContact N-O 2.82Å; L218-I233 PolarHBondContact O-N 3.4Å; T220-I233 HydrophobicContact CG2-CD1 3.98Å; T220-I233 WeakPolarHBondContact OG1-CD1 3.12Å; R231-I233 HydrophobicContact CG-CG1 4.11Å
234	L	96.9	Very high	93.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.5	161.8	166.2	60.4	0	0	0	107.7	L67 I69 K175 L176 W192 V199 Y215 T217 F236	L67-L234 HydrophobicContact CD1-CD2 4.22Å; I69-L234 HydrophobicContact CD1-CD2 3.37Å; K175-L234 CarbonylContact C-O 3.44Å; K175-L234 VanDerWaalsContact CA-O 3.31Å; K175-L234 WeakPolarHBondContact CA-O 3.44Å; L176-L234 HydrophobicContact CB-CB 4.31Å; L176-L234 PolarHBondContact N-O 3.45Å; L176-L234 PolarHBondContact O-N 3.28Å; W192-L234 HydrophobicContact CH2-CB 4.4Å; V199-L234 HydrophobicContact CG1-CD1 4.05Å; V199-L234 HydrophobicContact CG1-CD2 3.81Å; V199-L234 HydrophobicContact CG2-CD1 4.13Å; V199-L234 HydrophobicContact CG2-CD2 4.35Å; Y215-L234 HydrophobicContact CD2-CD1 4.26Å; T217-L234 HydrophobicContact CG2-CD1 4.48Å; L234-F236 HydrophobicContact CG-CD1 4.32Å
235	Q	96.4	Very high	93.4	Very high	29 Å²	29	50.5 Å²	50.5	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.4	174.3	-178.5	168.1	-37.5	0	0	109.4	T173 C174 K175 Y215 F216	T173-Q235 VanDerWaalsContact CG2-CD 3.48Å; T173-Q235 HydrophobicContact CG2-CG 3.6Å; C174-Q235 WeakPolarHBondContact O-CA 3.43Å; K175-Q235 VanDerWaalsContact CE-OE1 3.29Å; K175-Q235 HydrophobicContact CG-CB 4.34Å; K175-Q235 HydrophobicContact CG-CG 4.21Å; Y215-Q235 CarbonylContact C-O 3.59Å; Y215-Q235 WeakPolarHBondContact CA-O 3.49Å; Y215-Q235 WeakPolarHBondContact CB-O 3.28Å; F216-Q235 HydrophobicContact CD1-CB 4.46Å; F216-Q235 HydrophobicContact CD2-CB 4.18Å; F216-Q235 HydrophobicContact CE1-CB 4.12Å; F216-Q235 HydrophobicContact CE1-CG 3.88Å; F216-Q235 HydrophobicContact CE2-CB 3.81Å; F216-Q235 HydrophobicContact CE2-CG 4.17Å; F216-Q235 HydrophobicContact CZ-CB 3.82Å; F216-Q235 HydrophobicContact CZ-CG 3.67Å; F216-Q235 PolarHBondContact N-O 2.71Å; F216-Q235 PolarHBondContact O-N 3.25Å
236	F	95.4	Very high	93.5	Very high	5 Å²	5	43 Å²	43	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145	177.2	59.5	-87.1	0	0	0	111.5	I72 Y82 C174 L202 R214 L234 L238	I72-F236 HydrophobicContact CD1-CE2 4.22Å; Y82-F236 HydrophobicContact CD2-CZ 4.2Å; Y82-F236 HydrophobicContact CE1-CZ 4.21Å; Y82-F236 HydrophobicContact CE2-CE1 4.25Å; Y82-F236 AromaticContact CE2-CZ 3.72Å; Y82-F236 HydrophobicContact CE2-CZ 3.72Å; Y82-F236 AromaticContact CZ-CZ 3.73Å; C174-F236 HydrophobicContact CB-CD2 4.39Å; C174-F236 HydrophobicContact CB-CE1 4.17Å; C174-F236 HydrophobicContact CB-CE2 3.75Å; C174-F236 HydrophobicContact CB-CZ 3.62Å; C174-F236 PolarHBondContact N-O 2.83Å; C174-F236 PolarHBondContact O-N 2.84Å; L202-F236 HydrophobicContact CD2-CB 3.9Å; L202-F236 HydrophobicContact CD2-CG 4.4Å; R214-F236 CarbonylContact O-C 3.01Å; R214-F236 WeakPolarHBondContact O-CA 3.4Å; L234-F236 HydrophobicContact CG-CD1 4.32Å; F236-L238 HydrophobicContact CD2-CD1 4.44Å; F236-L238 HydrophobicContact CD2-CD2 4.11Å; F236-L238 HydrophobicContact CD2-CG 3.96Å; F236-L238 HydrophobicContact CE2-CD1 3.91Å; F236-L238 HydrophobicContact CE2-CD2 4.14Å; F236-L238 HydrophobicContact CE2-CG 3.93Å
237	E	95.1	Very high	93.5	Very high	40 Å²	40	43.3 Å²	43.3	19%	0.187	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.7	-177.5	-68.6	174.5	-177.5	0	0	110	T171 Q172 I212 E213 R214	T171-E237 HydrophobicContact CG2-CB 4.43Å; Q172-E237 CarbonylContact O-C 3.52Å; Q172-E237 WeakPolarHBondContact O-CA 3.35Å; I212-E237 WeakPolarHBondContact CA-O 3.4Å; E213-E237 PolarHBondContact N-O 3.33Å; R214-E237 PolarHBondContact O-N 3.26Å
238	L	93.8	Very high	93.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.3	178.3	-66.1	171.9	0	0	0	109.5	I75 T171 Q172 L207 Y210 T211 I212 F236	I75-L238 HydrophobicContact CD1-CD1 3.92Å; T171-L238 CarbonylContact C-O 3.48Å; T171-L238 WeakPolarHBondContact CA-O 3.41Å; Q172-L238 HydrophobicContact CB-CB 4.35Å; Q172-L238 PolarHBondContact N-O 3.44Å; Q172-L238 PolarHBondContact O-N 3.24Å; L207-L238 HydrophobicContact CD1-CD2 3.85Å; Y210-L238 HydrophobicContact CD1-CB 3.94Å; T211-L238 CarbonylContact O-C 3.58Å; T211-L238 WeakPolarHBondContact O-CA 3.44Å; I212-L238 HydrophobicContact CG1-CD2 3.91Å; F236-L238 HydrophobicContact CD2-CD1 4.44Å; F236-L238 HydrophobicContact CD2-CD2 4.11Å; F236-L238 HydrophobicContact CD2-CG 3.96Å; F236-L238 HydrophobicContact CE2-CD1 3.91Å; F236-L238 HydrophobicContact CE2-CD2 4.14Å; F236-L238 HydrophobicContact CE2-CG 3.93Å
239	R	92.8	Very high	93.3	Very high	125 Å²	125	43.9 Å²	43.9	47%	0.472	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.2	173.3	-179.6	168.2	-176.7	169.9	6.1	111	Y210 T211 E213	Y210-R239 CarbonylContact C-O 3.59Å; Y210-R239 VanDerWaalsContact CA-O 3.29Å; Y210-R239 WeakPolarHBondContact CA-O 3.16Å; T211-R239 PolarHBondContact N-O 2.77Å; T211-R239 PolarHBondContact O-N 2.97Å; T211-R239 PolarHBondContact OG1-O 3.49Å; E213-R239 HydrophobicContact CG-CB 3.86Å; E213-R239 WeakPolarHBondContact OE1-CD 3.4Å; E213-R239 IonicContact OE1-CZ 3.71Å; E213-R239 IonicContact OE1-NE 3.8Å; E213-R239 IonicContact OE1-NH1 3.6Å; E213-R239 PolarHBondContact OE1-NH1 3.02Å
240	R	92	Very high	93.3	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.5	179.8	-167.5	-178.8	-55	-85.6	-2.5	111.9	E77 P168 D170 Y210 V242 F245	E77-R240 IonicContact OE1-CZ 2.75Å; E77-R240 IonicContact OE1-NH1 3.75Å; E77-R240 PolarHBondContact OE1-NH1 2.9Å; E77-R240 IonicContact OE1-NH2 2.91Å; P168-R240 WeakPolarHBondContact O-CD 3.26Å; D170-R240 PolarHBondContact O-N 2.94Å; D170-R240 IonicContact OD1-CZ 3.63Å; D170-R240 IonicContact OD1-NE 3.19Å; D170-R240 PolarHBondContact OD1-NE 2.98Å; D170-R240 IonicContact OD1-NH2 3.87Å; D170-R240 IonicContact OD2-CZ 3.09Å; D170-R240 IonicContact OD2-NE 3.51Å; D170-R240 IonicContact OD2-NH2 3.7Å; D170-R240 PolarHBondContact OD2-NH2 3.4Å; Y210-R240 HydrophobicContact CD1-CB 4.17Å; Y210-R240 HydrophobicContact CE1-CB 4.13Å; Y210-R240 HydrophobicContact CE1-CG 4.43Å; Y210-R240 VanDerWaalsContact CZ-NH1 3.33Å; Y210-R240 PolarHBondContact OH-NH1 3.44Å; Y210-R240 PolarHBondContact OH-NH2 3.44Å; R240-V242 PolarHBondContact O-N 3.49Å; R240-F245 HydrophobicContact CG-CE2 4.06Å
241	N	90.6	Very high	93.3	Very high	67 Å²	67	45.7 Å²	45.7	36%	0.358	22%	0.217	S	C	.	.			trans	-78.9	104.2	171	-70.1	-25.3	0	0	0	110.2	Q209 T211 L243	Q209-N241 PolarHBondContact O-N 3.12Å; T211-N241 WeakPolarHBondContact CG2-OD1 3.16Å; N241-L243 PolarHBondContact O-N 3.08Å
242	V	90.8	Very high	93.2	Very high	33 Å²	33	45.7 Å²	45.7	20%	0.2	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.8	-171.3	-171.3	0	0	0	0	113.3	P168 M169 R240 Y244 F245 I246	P168-V242 HydrophobicContact CG-CG1 4.29Å; M169-V242 HydrophobicContact CG-CG1 3.93Å; M169-V242 HydrophobicContact CG-CG2 3.98Å; R240-V242 PolarHBondContact O-N 3.49Å; V242-Y244 VanDerWaalsContact C-N 3.3Å; V242-Y244 PolarHBondContact O-N 2.75Å; V242-F245 PolarHBondContact O-N 3.5Å; V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 HydrophobicContact CG1-CG1 4Å; V242-I246 PolarHBondContact O-N 3.11Å; V242-I246 VanDerWaalsContact O-N 3.12Å
243	L	90.3	Very high	93.2	Very high	122 Å²	122	45.7 Å²	45.7	64%	0.639	22%	0.223	S	C	*	.	H	α-helix	trans	-55.4	-40.6	-170.2	-178.4	63.1	0	0	0	113.8	N241 F245 I246 L247	N241-L243 PolarHBondContact O-N 3.08Å; L243-F245 PolarHBondContact O-N 3.37Å; L243-I246 WeakPolarHBondContact O-CB 3.23Å; L243-I246 PolarHBondContact O-N 3.19Å; L243-L247 HydrophobicContact CD1-CD1 4.4Å; L243-L247 HydrophobicContact CD1-CG 4.47Å; L243-L247 HydrophobicContact CG-CD1 4.37Å; L243-L247 PolarHBondContact O-N 2.93Å; L243-L247 VanDerWaalsContact O-N 3.17Å
244	Y	88.9	Confident	93.1	Very high	137 Å²	137	46.8 Å²	46.8	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-47.8	178.2	173	-99.6	0	0	0	111.5	V242 I246 L247 E248	V242-Y244 VanDerWaalsContact C-N 3.3Å; V242-Y244 PolarHBondContact O-N 2.75Å; Y244-I246 VanDerWaalsContact C-N 3.31Å; Y244-I246 PolarHBondContact O-N 3.17Å; Y244-L247 PolarHBondContact O-N 3.23Å; Y244-E248 WeakPolarHBondContact CE1-OE2 3.36Å; Y244-E248 WeakPolarHBondContact O-CB 3.15Å; Y244-E248 PolarHBondContact O-N 3.16Å; Y244-E248 PolarHBondContact OH-OE1 3.26Å; Y244-E248 VanDerWaalsContact OH-OE1 3.05Å; Y244-E248 PolarHBondContact OH-OE2 3.36Å
245	F	90.4	Very high	93	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-32.8	179.2	-59.1	-77.5	0	0	0	112.6	Y167 P168 R240 V242 L243 T249 Y250	Y167-F245 HydrophobicContact CE1-CE1 4.48Å; Y167-F245 AromaticContact CZ-CE1 3.85Å; Y167-F245 WeakPolarHBondContact OH-CE1 3.2Å; Y167-F245 WeakPolarHBondContact OH-CZ 3.41Å; P168-F245 HydrophobicContact CB-CB 4.17Å; P168-F245 HydrophobicContact CB-CD1 4.28Å; P168-F245 HydrophobicContact CB-CD2 3.59Å; P168-F245 HydrophobicContact CB-CE2 4.05Å; P168-F245 HydrophobicContact CB-CG 3.72Å; P168-F245 HydrophobicContact CG-CB 3.78Å; P168-F245 HydrophobicContact CG-CD2 4.14Å; P168-F245 HydrophobicContact CG-CG 3.9Å; R240-F245 HydrophobicContact CG-CE2 4.06Å; V242-F245 PolarHBondContact O-N 3.5Å; L243-F245 PolarHBondContact O-N 3.37Å; F245-T249 WeakPolarHBondContact O-CB 3.44Å; F245-T249 PolarHBondContact O-N 3.44Å; F245-Y250 WeakPolarHBondContact O-CD2 3.2Å; F245-Y250 PolarHBondContact O-N 3.46Å
246	I	92.4	Very high	93	Very high	50 Å²	50	52.7 Å²	52.7	26%	0.256	26%	0.257	S	S	.	.	I	π-helix	trans	-60.3	-50.8	174.6	-68.7	170.4	0	0	0	110.3	V242 L243 Y244 Y250 V251 W434	V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 HydrophobicContact CG1-CG1 4Å; V242-I246 PolarHBondContact O-N 3.11Å; V242-I246 VanDerWaalsContact O-N 3.12Å; L243-I246 WeakPolarHBondContact O-CB 3.23Å; L243-I246 PolarHBondContact O-N 3.19Å; Y244-I246 VanDerWaalsContact C-N 3.31Å; Y244-I246 PolarHBondContact O-N 3.17Å; I246-Y250 HydrophobicContact CG1-CD2 4.34Å; I246-Y250 PolarHBondContact O-N 2.98Å; I246-V251 HydrophobicContact CG2-CG2 4.17Å; I246-V251 WeakPolarHBondContact O-CG2 3.42Å; I246-V251 PolarHBondContact O-N 2.84Å; I246-W434 HydrophobicContact CD1-CH2 4.17Å; I246-W434 HydrophobicContact CG1-CH2 4.07Å
247	L	91.9	Very high	93	Very high	111 Å²	111	52.5 Å²	52.5	58%	0.581	26%	0.256	S	S	*	.	I	π-helix	trans	-71.9	-36.5	-176.8	-64.7	175.8	0	0	0	112.6	L243 Y244 P252	L243-L247 HydrophobicContact CD1-CD1 4.4Å; L243-L247 HydrophobicContact CD1-CG 4.47Å; L243-L247 HydrophobicContact CG-CD1 4.37Å; L243-L247 PolarHBondContact O-N 2.93Å; L243-L247 VanDerWaalsContact O-N 3.17Å; Y244-L247 PolarHBondContact O-N 3.23Å; L247-P252 VanDerWaalsContact O-CD 3.31Å; L247-P252 WeakPolarHBondContact O-CD 3.45Å
248	E	89.8	Confident	92.9	Very high	95 Å²	95	53.6 Å²	53.6	44%	0.444	27%	0.265	S	S	.	.	I	π-helix	trans	-81.1	-37.9	-177.4	-172.3	-178.9	-156.1	0	0	113.1	Y244 P252	Y244-E248 WeakPolarHBondContact CE1-OE2 3.36Å; Y244-E248 WeakPolarHBondContact O-CB 3.15Å; Y244-E248 PolarHBondContact O-N 3.16Å; Y244-E248 PolarHBondContact OH-OE1 3.26Å; Y244-E248 VanDerWaalsContact OH-OE1 3.05Å; Y244-E248 PolarHBondContact OH-OE2 3.36Å; E248-P252 WeakPolarHBondContact O-CG 3.42Å
249	T	92.2	Very high	92.9	Very high	7 Å²	7	58 Å²	58	4%	0.043	29%	0.288	C	S	.	.	I	π-helix	trans	-116.4	-51.3	-171.5	-54.6	0	0	0	0	113.4	F245 S253 I306 L310	F245-T249 WeakPolarHBondContact O-CB 3.44Å; F245-T249 PolarHBondContact O-N 3.44Å; T249-S253 WeakPolarHBondContact O-CB 3.43Å; T249-S253 PolarHBondContact O-N 2.88Å; T249-S253 VanDerWaalsContact O-N 3.13Å; T249-S253 PolarHBondContact O-OG 2.98Å; T249-I306 HydrophobicContact CG2-CD1 3.9Å; T249-I306 HydrophobicContact CG2-CG1 4.25Å; T249-L310 HydrophobicContact CG2-CD1 4.12Å; T249-L310 HydrophobicContact CG2-CD2 3.86Å; T249-L310 HydrophobicContact CG2-CG 4.34Å
250	Y	93.9	Very high	92.9	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.02	27%	0.266	C	S	.	.	I	π-helix	trans	-70.8	-41.9	-173.3	-70.9	-93.5	0	0	0	112.8	P168 F245 I246 S253 T254 I306 Y309 Y433 W434	P168-Y250 HydrophobicContact CG-CE2 4.26Å; F245-Y250 WeakPolarHBondContact O-CD2 3.2Å; F245-Y250 PolarHBondContact O-N 3.46Å; I246-Y250 HydrophobicContact CG1-CD2 4.34Å; I246-Y250 PolarHBondContact O-N 2.98Å; Y250-S253 WeakPolarHBondContact CA-OG 3.39Å; Y250-S253 PolarHBondContact O-OG 3.42Å; Y250-T254 WeakPolarHBondContact O-CB 3.35Å; Y250-T254 PolarHBondContact O-N 2.91Å; Y250-T254 PolarHBondContact O-OG1 2.68Å; Y250-I306 HydrophobicContact CE2-CD1 4.45Å; Y250-I306 HydrophobicContact CE2-CG1 4.42Å; Y250-Y309 AromaticContact CD1-CD1 3.44Å; Y250-Y309 HydrophobicContact CD1-CD1 3.44Å; Y250-Y309 VanDerWaalsContact CD1-CD1 3.44Å; Y250-Y309 HydrophobicContact CD1-CD2 4.12Å; Y250-Y309 AromaticContact CD1-CE1 3.44Å; Y250-Y309 HydrophobicContact CD1-CE1 3.44Å; Y250-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y250-Y309 HydrophobicContact CD1-CE2 4.11Å; Y250-Y309 AromaticContact CD1-CG 3.8Å; Y250-Y309 HydrophobicContact CD1-CG 3.8Å; Y250-Y309 AromaticContact CD1-CZ 3.79Å; Y250-Y309 AromaticContact CE1-CD1 3.6Å; Y250-Y309 HydrophobicContact CE1-CD1 3.6Å; Y250-Y309 AromaticContact CE1-CD2 3.94Å; Y250-Y309 HydrophobicContact CE1-CD2 3.94Å; Y250-Y309 HydrophobicContact CE1-CE1 4.08Å; Y250-Y309 HydrophobicContact CE1-CE2 4.38Å; Y250-Y309 AromaticContact CE1-CG 3.53Å; Y250-Y309 HydrophobicContact CE1-CG 3.53Å; Y250-Y309 HydrophobicContact CG-CD1 4.42Å; Y250-Y309 HydrophobicContact CG-CE1 4.28Å; Y250-Y433 AromaticContact CE1-CE1 3.68Å; Y250-Y433 HydrophobicContact CE1-CE1 3.68Å; Y250-Y433 AromaticContact CE1-CZ 4Å; Y250-Y433 PolarHBondContact OH-OH 2.83Å; Y250-W434 HydrophobicContact CD1-CH2 4.23Å; Y250-W434 AromaticContact CD1-CZ2 3.78Å; Y250-W434 HydrophobicContact CD1-CZ2 3.78Å; Y250-W434 HydrophobicContact CE1-CH2 4.3Å; Y250-W434 HydrophobicContact CE1-CZ2 4.12Å; Y250-W434 HydrophobicContact CG-CH2 4.43Å; Y250-W434 HydrophobicContact CG-CZ2 4.2Å
251	V	95	Very high	92.9	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-50.6	179.8	168	0	0	0	0	111.3	I246 S253 T254 F255	I246-V251 HydrophobicContact CG2-CG2 4.17Å; I246-V251 WeakPolarHBondContact O-CG2 3.42Å; I246-V251 PolarHBondContact O-N 2.84Å; V251-S253 PolarHBondContact O-N 3.14Å; V251-T254 PolarHBondContact O-N 2.75Å; V251-F255 HydrophobicContact CG1-CD2 3.85Å; V251-F255 HydrophobicContact CG1-CE2 3.37Å; V251-F255 HydrophobicContact CG1-CZ 3.93Å; V251-F255 PolarHBondContact O-N 3.13Å
252	P	95.4	Very high	92.9	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-42.4	176.5	-28.8	39.2	0	0	0	114	L247 E248 T254 F255 L256 L288	L247-P252 VanDerWaalsContact O-CD 3.31Å; L247-P252 WeakPolarHBondContact O-CD 3.45Å; E248-P252 WeakPolarHBondContact O-CG 3.42Å; P252-T254 VanDerWaalsContact C-N 3.32Å; P252-T254 PolarHBondContact O-N 2.88Å; P252-F255 PolarHBondContact O-N 3.46Å; P252-L256 WeakPolarHBondContact O-CG 3.36Å; P252-L256 PolarHBondContact O-N 3.43Å; P252-L288 HydrophobicContact CB-CD2 4.41Å
253	S	95.4	Very high	92.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-39.3	177.5	50.9	0	0	0	0	112.2	T249 Y250 V251 L256 V257 Y309	T249-S253 WeakPolarHBondContact O-CB 3.43Å; T249-S253 PolarHBondContact O-N 2.88Å; T249-S253 VanDerWaalsContact O-N 3.13Å; T249-S253 PolarHBondContact O-OG 2.98Å; Y250-S253 WeakPolarHBondContact CA-OG 3.39Å; Y250-S253 PolarHBondContact O-OG 3.42Å; V251-S253 PolarHBondContact O-N 3.14Å; S253-L256 PolarHBondContact O-N 2.9Å; S253-V257 WeakPolarHBondContact O-CG2 3.31Å; S253-V257 PolarHBondContact O-N 3.18Å; S253-V257 VanDerWaalsContact O-N 3.09Å; S253-Y309 WeakPolarHBondContact OG-CE1 3.13Å
254	T	95.1	Very high	92.7	Very high	38 Å²	38	46.5 Å²	46.5	23%	0.233	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-43	174.4	-56.5	0	0	0	0	111.5	Y250 V251 P252 L256 V257 V258 Y309 F426	Y250-T254 WeakPolarHBondContact O-CB 3.35Å; Y250-T254 PolarHBondContact O-N 2.91Å; Y250-T254 PolarHBondContact O-OG1 2.68Å; V251-T254 PolarHBondContact O-N 2.75Å; P252-T254 VanDerWaalsContact C-N 3.32Å; P252-T254 PolarHBondContact O-N 2.88Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.98Å; T254-V257 PolarHBondContact O-N 3.2Å; T254-V258 WeakPolarHBondContact O-CG2 3.29Å; T254-V258 PolarHBondContact O-N 3.32Å; T254-Y309 PolarHBondContact OG1-OH 2.84Å; T254-F426 HydrophobicContact CG2-CE1 4Å; T254-F426 HydrophobicContact CG2-CZ 4.24Å
255	F	95.4	Very high	92.6	Very high	128 Å²	128	49.3 Å²	49.3	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-64.1	-37.3	175.1	-70.2	-33.6	0	0	0	112.7	V251 P252 V257 V258 L259	V251-F255 HydrophobicContact CG1-CD2 3.85Å; V251-F255 HydrophobicContact CG1-CE2 3.37Å; V251-F255 HydrophobicContact CG1-CZ 3.93Å; V251-F255 PolarHBondContact O-N 3.13Å; P252-F255 PolarHBondContact O-N 3.46Å; F255-V257 VanDerWaalsContact C-N 3.32Å; F255-V257 PolarHBondContact O-N 2.92Å; F255-V258 PolarHBondContact O-N 3.42Å; F255-L259 WeakPolarHBondContact O-CB 3.44Å; F255-L259 VanDerWaalsContact O-CG 3.24Å; F255-L259 WeakPolarHBondContact O-CG 3.39Å; F255-L259 PolarHBondContact O-N 2.83Å
256	L	95.4	Very high	92.6	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-39.5	174	-70.7	177	0	0	0	112.2	P252 S253 T254 L259 S260 M285 L288	P252-L256 WeakPolarHBondContact O-CG 3.36Å; P252-L256 PolarHBondContact O-N 3.43Å; S253-L256 PolarHBondContact O-N 2.9Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.98Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L256-L259 PolarHBondContact O-N 2.94Å; L256-S260 PolarHBondContact O-N 2.66Å; L256-M285 HydrophobicContact CD1-CB 4.29Å; L256-M285 HydrophobicContact CD1-SD 4.2Å; L256-L288 HydrophobicContact CD1-CD2 4.42Å
257	V	95.8	Very high	92.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-46.8	174.3	175.2	0	0	0	0	110.7	S253 T254 F255 L259 S260 W261 C313 F316 V317 F426	S253-V257 WeakPolarHBondContact O-CG2 3.31Å; S253-V257 PolarHBondContact O-N 3.18Å; S253-V257 VanDerWaalsContact O-N 3.09Å; T254-V257 PolarHBondContact O-N 3.2Å; F255-V257 VanDerWaalsContact C-N 3.32Å; F255-V257 PolarHBondContact O-N 2.92Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 3.33Å; V257-S260 WeakPolarHBondContact O-CB 3.43Å; V257-S260 PolarHBondContact O-N 2.78Å; V257-S260 VanDerWaalsContact O-N 3.14Å; V257-S260 PolarHBondContact O-OG 2.91Å; V257-W261 HydrophobicContact CG1-CZ2 3.7Å; V257-W261 PolarHBondContact O-N 3.36Å; V257-W261 PolarHBondContact O-NE1 2.9Å; V257-C313 HydrophobicContact CG2-CB 3.7Å; V257-F316 HydrophobicContact CG1-CB 4.1Å; V257-V317 HydrophobicContact CG2-CG2 3.99Å; V257-F426 HydrophobicContact CB-CE2 4.25Å; V257-F426 HydrophobicContact CB-CZ 4.16Å; V257-F426 HydrophobicContact CG1-CD1 4.3Å; V257-F426 HydrophobicContact CG1-CD2 3.91Å; V257-F426 HydrophobicContact CG1-CE1 4.27Å; V257-F426 HydrophobicContact CG1-CE2 3.89Å; V257-F426 HydrophobicContact CG1-CG 4.12Å; V257-F426 HydrophobicContact CG1-CZ 4.06Å; V257-F426 HydrophobicContact CG2-CE2 4Å; V257-F426 HydrophobicContact CG2-CZ 4.2Å
258	V	94.1	Very high	91.7	Very high	64 Å²	64	47.2 Å²	47.2	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-40.6	177.3	175	0	0	0	0	111.5	T254 F255 S260 W261	T254-V258 WeakPolarHBondContact O-CG2 3.29Å; T254-V258 PolarHBondContact O-N 3.32Å; F255-V258 PolarHBondContact O-N 3.42Å; V258-S260 VanDerWaalsContact C-N 3.27Å; V258-S260 PolarHBondContact O-N 3.31Å; V258-W261 HydrophobicContact CB-CE3 4.39Å; V258-W261 HydrophobicContact CG1-CE3 4.33Å; V258-W261 HydrophobicContact CG2-CE3 4.24Å; V258-W261 HydrophobicContact CG2-CH2 4.2Å; V258-W261 HydrophobicContact CG2-CZ3 3.88Å; V258-W261 WeakPolarHBondContact O-CB 3.4Å; V258-W261 PolarHBondContact O-N 3.02Å; V258-W261 VanDerWaalsContact O-N 3.1Å
259	L	92.8	Very high	91.3	Very high	93 Å²	93	49.2 Å²	49.2	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-34.7	175.6	-75.2	172.7	0	0	0	112.1	F255 L256 V257 W261 V262 T281	F255-L259 WeakPolarHBondContact O-CB 3.44Å; F255-L259 VanDerWaalsContact O-CG 3.24Å; F255-L259 WeakPolarHBondContact O-CG 3.39Å; F255-L259 PolarHBondContact O-N 2.83Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L256-L259 PolarHBondContact O-N 2.94Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 3.33Å; L259-W261 PolarHBondContact O-N 3.27Å; L259-V262 WeakPolarHBondContact O-CB 3.42Å; L259-V262 WeakPolarHBondContact O-CG2 3.49Å; L259-V262 PolarHBondContact O-N 3.05Å; L259-T281 HydrophobicContact CB-CG2 4.25Å
260	S	93.8	Very high	91.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-31.6	175	80.9	0	0	0	0	112.3	L256 V257 V258 V262 S263	L256-S260 PolarHBondContact O-N 2.66Å; V257-S260 WeakPolarHBondContact O-CB 3.43Å; V257-S260 PolarHBondContact O-N 2.78Å; V257-S260 VanDerWaalsContact O-N 3.14Å; V257-S260 PolarHBondContact O-OG 2.91Å; V258-S260 VanDerWaalsContact C-N 3.27Å; V258-S260 PolarHBondContact O-N 3.31Å; S260-V262 VanDerWaalsContact C-N 3.29Å; S260-V262 PolarHBondContact O-N 2.99Å; S260-S263 WeakPolarHBondContact O-CB 3.37Å; S260-S263 PolarHBondContact O-N 3.19Å; S260-S263 PolarHBondContact O-OG 3.01Å
261	W	91.5	Very high	90.8	Very high	37 Å²	37	53.3 Å²	53.3	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-73	-19.3	179	-53.1	-18.7	0	0	0	113.6	V257 V258 L259 S263 F264 P423 F426	V257-W261 HydrophobicContact CG1-CZ2 3.7Å; V257-W261 PolarHBondContact O-N 3.36Å; V257-W261 PolarHBondContact O-NE1 2.9Å; V258-W261 HydrophobicContact CB-CE3 4.39Å; V258-W261 HydrophobicContact CG1-CE3 4.33Å; V258-W261 HydrophobicContact CG2-CE3 4.24Å; V258-W261 HydrophobicContact CG2-CH2 4.2Å; V258-W261 HydrophobicContact CG2-CZ3 3.88Å; V258-W261 WeakPolarHBondContact O-CB 3.4Å; V258-W261 PolarHBondContact O-N 3.02Å; V258-W261 VanDerWaalsContact O-N 3.1Å; L259-W261 PolarHBondContact O-N 3.27Å; W261-S263 PolarHBondContact O-N 3.49Å; W261-F264 HydrophobicContact CB-CD2 3.96Å; W261-F264 HydrophobicContact CB-CE2 4.05Å; W261-F264 AromaticContact CD1-CE2 3.81Å; W261-F264 HydrophobicContact CG-CE2 4.14Å; W261-F264 WeakPolarHBondContact O-CB 3.36Å; W261-F264 WeakPolarHBondContact O-CD2 3.38Å; W261-F264 PolarHBondContact O-N 3.22Å; W261-P423 HydrophobicContact CD2-CG 4.02Å; W261-P423 HydrophobicContact CE3-CB 4.23Å; W261-P423 HydrophobicContact CE3-CG 3.76Å; W261-P423 HydrophobicContact CH2-CB 3.73Å; W261-P423 HydrophobicContact CH2-CG 4.09Å; W261-P423 HydrophobicContact CZ2-CB 4.24Å; W261-P423 HydrophobicContact CZ2-CG 4.32Å; W261-P423 HydrophobicContact CZ3-CB 3.71Å; W261-P423 HydrophobicContact CZ3-CG 3.79Å; W261-F426 HydrophobicContact CH2-CB 4.37Å; W261-F426 AromaticContact CH2-CD1 3.89Å; W261-F426 HydrophobicContact CH2-CD1 3.89Å; W261-F426 HydrophobicContact CH2-CG 4.43Å; W261-F426 HydrophobicContact CZ2-CB 3.86Å; W261-F426 AromaticContact CZ2-CD1 3.87Å; W261-F426 HydrophobicContact CZ2-CD1 3.87Å; W261-F426 AromaticContact CZ2-CG 3.99Å; W261-F426 HydrophobicContact CZ2-CG 3.99Å
262	V	90.4	Very high	90.6	Very high	65 Å²	65	55.6 Å²	55.6	39%	0.394	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.6	175.1	179.8	0	0	0	0	110.4	L259 S260 F264 W265 I266	L259-V262 WeakPolarHBondContact O-CB 3.42Å; L259-V262 WeakPolarHBondContact O-CG2 3.49Å; L259-V262 PolarHBondContact O-N 3.05Å; S260-V262 VanDerWaalsContact C-N 3.29Å; S260-V262 PolarHBondContact O-N 2.99Å; V262-F264 PolarHBondContact O-N 2.97Å; V262-W265 PolarHBondContact O-N 3.38Å; V262-I266 HydrophobicContact CG1-CD1 4.44Å; V262-I266 PolarHBondContact O-N 2.92Å
263	S	88.7	Confident	90.4	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.042	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.1	-32.8	175.6	68.8	0	0	0	0	113.4	S260 W261 W265 R274	S260-S263 WeakPolarHBondContact O-CB 3.37Å; S260-S263 PolarHBondContact O-N 3.19Å; S260-S263 PolarHBondContact O-OG 3.01Å; W261-S263 PolarHBondContact O-N 3.49Å; S263-W265 VanDerWaalsContact C-N 3.26Å; S263-W265 PolarHBondContact O-N 2.75Å; S263-R274 PolarHBondContact O-NE 3.05Å; S263-R274 VanDerWaalsContact O-NE 3.15Å
264	F	88.8	Confident	90.1	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.6	-22.3	178.4	-51.7	-38.7	0	0	0	113	W261 V262 A320 E323 K419 F422	W261-F264 HydrophobicContact CB-CD2 3.96Å; W261-F264 HydrophobicContact CB-CE2 4.05Å; W261-F264 AromaticContact CD1-CE2 3.81Å; W261-F264 HydrophobicContact CG-CE2 4.14Å; W261-F264 WeakPolarHBondContact O-CB 3.36Å; W261-F264 WeakPolarHBondContact O-CD2 3.38Å; W261-F264 PolarHBondContact O-N 3.22Å; V262-F264 PolarHBondContact O-N 2.97Å; F264-A320 HydrophobicContact CE1-CB 4.17Å; F264-A320 HydrophobicContact CZ-CB 3.9Å; F264-E323 HydrophobicContact CE1-CB 4.35Å; F264-E323 HydrophobicContact CE1-CG 4.16Å; F264-E323 WeakPolarHBondContact CE1-OE2 2.99Å; F264-K419 HydrophobicContact CB-CG 3.86Å; F264-K419 WeakPolarHBondContact O-CE 3.38Å; F264-K419 PolarHBondContact O-NZ 3.48Å; F264-K419 VanDerWaalsContact O-NZ 3.15Å; F264-F422 HydrophobicContact CE2-CB 3.99Å; F264-F422 HydrophobicContact CE2-CD1 4.3Å; F264-F422 HydrophobicContact CE2-CD2 4.16Å; F264-F422 AromaticContact CE2-CG 3.92Å; F264-F422 HydrophobicContact CE2-CG 3.92Å; F264-F422 HydrophobicContact CZ-CB 4.46Å; F264-F422 AromaticContact CZ-CD1 3.99Å; F264-F422 HydrophobicContact CZ-CD1 3.99Å; F264-F422 AromaticContact CZ-CD2 3.94Å; F264-F422 HydrophobicContact CZ-CD2 3.94Å; F264-F422 HydrophobicContact CZ-CE1 4.15Å; F264-F422 HydrophobicContact CZ-CE2 4.09Å; F264-F422 AromaticContact CZ-CG 3.89Å; F264-F422 HydrophobicContact CZ-CG 3.89Å; F264-F422 HydrophobicContact CZ-CZ 4.2Å
265	W	87.3	Confident	89.9	Confident	195 Å²	195	56.2 Å²	56.2	74%	0.739	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-24.4	-177.8	-67.4	88.7	0	0	0	113.3	V262 S263	V262-W265 PolarHBondContact O-N 3.38Å; S263-W265 VanDerWaalsContact C-N 3.26Å; S263-W265 PolarHBondContact O-N 2.75Å
266	I	88.6	Confident	89.8	Confident	43 Å²	43	53.7 Å²	53.7	22%	0.221	30%	0.302	C	S	.	.	S	Bend	trans	-72.3	149.4	177.8	-64.9	170.9	0	0	0	108.9	V262 A273 R274 I277	V262-I266 HydrophobicContact CG1-CD1 4.44Å; V262-I266 PolarHBondContact O-N 2.92Å; I266-A273 HydrophobicContact CG2-CB 4.37Å; I266-R274 HydrophobicContact CB-CG 4.12Å; I266-R274 HydrophobicContact CG2-CG 3.95Å; I266-R274 PolarHBondContact O-NE 3.13Å; I266-R274 VanDerWaalsContact O-NE 3.1Å; I266-R274 PolarHBondContact O-NH2 3.18Å; I266-I277 HydrophobicContact CD1-CD1 3.46Å; I266-I277 VanDerWaalsContact CD1-CD1 3.46Å
267	S	84.4	Confident	89.7	Confident	59 Å²	59	54.9 Å²	54.9	41%	0.413	31%	0.308	S	S	.	.			trans	-64.3	149	176.1	61.2	0	0	0	0	112.6	D269 S270 R274	S267-D269 PolarHBondContact O-N 2.96Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact OG-OG 3.42Å; S267-S270 VanDerWaalsContact OG-OG 3.07Å; S267-R274 PolarHBondContact O-NE 2.98Å
268	L	81.8	Confident	89.5	Confident	30 Å²	30	55.2 Å²	55.2	16%	0.157	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.6	175.4	-80.4	159	0	0	0	112.6	S270 R274 A327 P411	L268-S270 PolarHBondContact O-N 2.91Å; L268-R274 VanDerWaalsContact CD2-NH1 3.27Å; L268-A327 HydrophobicContact CD2-CB 3.84Å; L268-P411 HydrophobicContact CD1-CB 4.44Å
269	D	81.1	Confident	89.5	Confident	138 Å²	138	56.3 Å²	56.3	74%	0.738	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.9	-179.3	-51.1	-45.7	0	0	0	112.6	S267 V271	S267-D269 PolarHBondContact O-N 2.96Å; D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 3.16Å; D269-V271 VanDerWaalsContact O-N 3.07Å
270	S	88.6	Confident	89.6	Confident	46 Å²	46	55.1 Å²	55.1	32%	0.322	32%	0.315	S	S	.	.			trans	-88	57.8	-178.9	-57.3	0	0	0	0	112.1	S267 L268 P272 A273 R274	S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact OG-OG 3.42Å; S267-S270 VanDerWaalsContact OG-OG 3.07Å; L268-S270 PolarHBondContact O-N 2.91Å; S270-P272 VanDerWaalsContact C-CD 3.44Å; S270-A273 PolarHBondContact O-N 3.19Å; S270-A273 VanDerWaalsContact O-N 3.09Å; S270-R274 PolarHBondContact O-N 2.88Å
271	V	87.9	Confident	89.7	Confident	51 Å²	51	55.4 Å²	55.4	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-48.3	-45.8	-178.3	168.3	0	0	0	0	113.8	D269 A273 T275 Y324	D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 3.16Å; D269-V271 VanDerWaalsContact O-N 3.07Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 3.27Å; V271-T275 HydrophobicContact CG1-CG2 4.3Å; V271-T275 WeakPolarHBondContact O-CB 2.94Å; V271-T275 WeakPolarHBondContact O-CG2 3.49Å; V271-T275 PolarHBondContact O-N 2.83Å; V271-T275 VanDerWaalsContact O-N 3.08Å; V271-T275 PolarHBondContact O-OG1 3.46Å; V271-Y324 VanDerWaalsContact CG1-OH 3.25Å; V271-Y324 WeakPolarHBondContact CG1-OH 3.37Å; V271-Y324 WeakPolarHBondContact CG2-OH 3.46Å
272	P	90.8	Very high	89.9	Confident	100 Å²	100	54.9 Å²	54.9	65%	0.649	32%	0.317	S	S	*	.	H	α-helix	trans	-64.7	-34.5	-178.6	-22.4	34.9	0	0	0	113.3	S270 T275 C276	S270-P272 VanDerWaalsContact C-CD 3.44Å; P272-T275 PolarHBondContact O-OG1 3.17Å; P272-C276 WeakPolarHBondContact O-CB 3.35Å; P272-C276 PolarHBondContact O-N 3.02Å; P272-C276 VanDerWaalsContact O-N 3.11Å
273	A	90.4	Very high	90.1	Very high	43 Å²	43	57.1 Å²	57.1	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-72.2	-46.7	-178.7	0	0	0	0	0	111.4	I266 S270 V271 C276 I277	I266-A273 HydrophobicContact CG2-CB 4.37Å; S270-A273 PolarHBondContact O-N 3.19Å; S270-A273 VanDerWaalsContact O-N 3.09Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 3.27Å; A273-C276 PolarHBondContact O-N 2.8Å; A273-I277 WeakPolarHBondContact O-CG1 3.05Å; A273-I277 PolarHBondContact O-N 2.88Å; A273-I277 VanDerWaalsContact O-N 3.12Å
274	R	90.3	Very high	90.4	Very high	4 Å²	4	59 Å²	59	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-45.4	179.4	-72.4	-169.5	174.7	-155	7.7	112	S263 I266 S267 L268 S270 I277 G278 Y324 D415	S263-R274 PolarHBondContact O-NE 3.05Å; S263-R274 VanDerWaalsContact O-NE 3.15Å; I266-R274 HydrophobicContact CB-CG 4.12Å; I266-R274 HydrophobicContact CG2-CG 3.95Å; I266-R274 PolarHBondContact O-NE 3.13Å; I266-R274 VanDerWaalsContact O-NE 3.1Å; I266-R274 PolarHBondContact O-NH2 3.18Å; S267-R274 PolarHBondContact O-NE 2.98Å; L268-R274 VanDerWaalsContact CD2-NH1 3.27Å; S270-R274 PolarHBondContact O-N 2.88Å; R274-I277 PolarHBondContact O-N 3.3Å; R274-G278 PolarHBondContact O-N 3.12Å; R274-Y324 HydrophobicContact CB-CD2 3.85Å; R274-Y324 HydrophobicContact CB-CE2 3.75Å; R274-Y324 HydrophobicContact CB-CG 4.36Å; R274-Y324 VanDerWaalsContact CD-CD2 3.42Å; R274-Y324 HydrophobicContact CG-CD2 4.31Å; R274-Y324 HydrophobicContact CG-CE2 4.29Å; R274-D415 IonicContact CZ-OD1 3.51Å; R274-D415 IonicContact CZ-OD2 3.6Å; R274-D415 IonicContact NH1-OD1 3.14Å; R274-D415 PolarHBondContact NH1-OD1 3.4Å; R274-D415 VanDerWaalsContact NH1-OD1 3.09Å; R274-D415 IonicContact NH1-OD2 2.79Å; R274-D415 IonicContact NH2-OD1 3.5Å; R274-D415 PolarHBondContact NH2-OD1 3.27Å; R274-D415 IonicContact NH2-OD2 2.79Å; R274-D415 PolarHBondContact NH2-OD2 3.48Å
275	T	90.8	Very high	90.7	Very high	51 Å²	51	59 Å²	59	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.8	49.6	0	0	0	0	112.2	V271 P272 G278 V279 Y324	V271-T275 HydrophobicContact CG1-CG2 4.3Å; V271-T275 WeakPolarHBondContact O-CB 2.94Å; V271-T275 WeakPolarHBondContact O-CG2 3.49Å; V271-T275 PolarHBondContact O-N 2.83Å; V271-T275 VanDerWaalsContact O-N 3.08Å; V271-T275 PolarHBondContact O-OG1 3.46Å; P272-T275 PolarHBondContact O-OG1 3.17Å; T275-G278 PolarHBondContact O-N 3.05Å; T275-V279 WeakPolarHBondContact O-CB 3.33Å; T275-V279 WeakPolarHBondContact O-CG2 3.42Å; T275-V279 PolarHBondContact O-N 2.89Å; T275-Y324 HydrophobicContact CG2-CD1 4.26Å; T275-Y324 HydrophobicContact CG2-CE1 3.38Å
276	C	92.8	Very high	91	Very high	75 Å²	75	51.7 Å²	51.7	51%	0.507	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-47.3	177.6	-177.9	0	0	0	0	112	P272 A273 T280	P272-C276 WeakPolarHBondContact O-CB 3.35Å; P272-C276 PolarHBondContact O-N 3.02Å; P272-C276 VanDerWaalsContact O-N 3.11Å; A273-C276 PolarHBondContact O-N 2.8Å; C276-T280 WeakPolarHBondContact O-CB 3.16Å; C276-T280 PolarHBondContact O-N 2.96Å; C276-T280 PolarHBondContact O-OG1 2.75Å
277	I	92.6	Very high	91.2	Very high	49 Å²	49	53.8 Å²	53.8	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-44.4	177.7	-66.9	167.1	0	0	0	111.1	I266 A273 R274 T280 T281	I266-I277 HydrophobicContact CD1-CD1 3.46Å; I266-I277 VanDerWaalsContact CD1-CD1 3.46Å; A273-I277 WeakPolarHBondContact O-CG1 3.05Å; A273-I277 PolarHBondContact O-N 2.88Å; A273-I277 VanDerWaalsContact O-N 3.12Å; R274-I277 PolarHBondContact O-N 3.3Å; I277-T280 PolarHBondContact O-N 3.4Å; I277-T281 HydrophobicContact CG2-CG2 4.32Å; I277-T281 WeakPolarHBondContact O-CB 3.44Å; I277-T281 VanDerWaalsContact O-CG2 3.28Å; I277-T281 WeakPolarHBondContact O-CG2 2.83Å; I277-T281 PolarHBondContact O-N 2.76Å; I277-T281 PolarHBondContact O-OG1 2.81Å
278	G	92.3	Very high	91.5	Very high	8 Å²	8	52.8 Å²	52.8	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-47	179.8	0	0	0	0	0	113	R274 T275 T281 V282	R274-G278 PolarHBondContact O-N 3.12Å; T275-G278 PolarHBondContact O-N 3.05Å; G278-T281 PolarHBondContact O-OG1 2.76Å; G278-V282 WeakPolarHBondContact O-CG2 3.38Å; G278-V282 PolarHBondContact O-N 3.39Å
279	V	93.7	Very high	91.9	Very high	86 Å²	86	53 Å²	53	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-67.6	-42.2	178.1	173.9	0	0	0	0	111.2	T275 V282 L283	T275-V279 WeakPolarHBondContact O-CB 3.33Å; T275-V279 WeakPolarHBondContact O-CG2 3.42Å; T275-V279 PolarHBondContact O-N 2.89Å; V279-V282 PolarHBondContact O-N 3.38Å; V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 PolarHBondContact O-N 2.93Å
280	T	94.8	Very high	92.2	Very high	69 Å²	69	51.2 Å²	51.2	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-43.7	-179.7	-57	0	0	0	0	111.4	C276 I277 L283 S284	C276-T280 WeakPolarHBondContact O-CB 3.16Å; C276-T280 PolarHBondContact O-N 2.96Å; C276-T280 PolarHBondContact O-OG1 2.75Å; I277-T280 PolarHBondContact O-N 3.4Å; T280-L283 PolarHBondContact O-N 2.81Å; T280-S284 WeakPolarHBondContact O-CB 3.46Å; T280-S284 PolarHBondContact O-N 2.79Å; T280-S284 PolarHBondContact O-OG 2.94Å
281	T	95.1	Very high	92.1	Very high	8 Å²	8	51 Å²	51	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-40.3	178.4	49.9	0	0	0	0	112.5	L259 I277 G278 M285 V317	L259-T281 HydrophobicContact CB-CG2 4.25Å; I277-T281 HydrophobicContact CG2-CG2 4.32Å; I277-T281 WeakPolarHBondContact O-CB 3.44Å; I277-T281 VanDerWaalsContact O-CG2 3.28Å; I277-T281 WeakPolarHBondContact O-CG2 2.83Å; I277-T281 PolarHBondContact O-N 2.76Å; I277-T281 PolarHBondContact O-OG1 2.81Å; G278-T281 PolarHBondContact O-OG1 2.76Å; T281-M285 VanDerWaalsContact O-CB 3.26Å; T281-M285 WeakPolarHBondContact O-CB 3.16Å; T281-M285 PolarHBondContact O-N 3.4Å; T281-V317 WeakPolarHBondContact OG1-CG1 3.45Å
282	V	95.7	Very high	91.9	Very high	26 Å²	26	49.3 Å²	49.3	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-45.1	173.2	172.3	0	0	0	0	111.1	G278 V279 M285 T286 F314 V317 L321	G278-V282 WeakPolarHBondContact O-CG2 3.38Å; G278-V282 PolarHBondContact O-N 3.39Å; V279-V282 PolarHBondContact O-N 3.38Å; V282-M285 PolarHBondContact O-N 3.44Å; V282-T286 WeakPolarHBondContact O-CB 3.31Å; V282-T286 PolarHBondContact O-N 3.45Å; V282-T286 PolarHBondContact O-OG1 3.49Å; V282-F314 HydrophobicContact CG1-CE2 4.23Å; V282-V317 HydrophobicContact CB-CG1 4.43Å; V282-V317 HydrophobicContact CG2-CG1 3.73Å; V282-L321 HydrophobicContact CG2-CD2 4.19Å
283	L	95.4	Very high	91.3	Very high	112 Å²	112	49.9 Å²	49.9	59%	0.586	30%	0.296	S	S	*	.	H	α-helix	trans	-62.3	-50.6	178	179.2	61.8	0	0	0	111	V279 T280 M285 T286 T287	V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 PolarHBondContact O-N 2.93Å; T280-L283 PolarHBondContact O-N 2.81Å; L283-M285 VanDerWaalsContact C-N 3.3Å; L283-M285 PolarHBondContact O-N 3.12Å; L283-T286 WeakPolarHBondContact O-CB 3.07Å; L283-T286 PolarHBondContact O-N 2.89Å; L283-T286 VanDerWaalsContact O-N 3.13Å; L283-T287 PolarHBondContact O-N 3.34Å; L283-T287 PolarHBondContact O-OG1 3.49Å; L283-T287 VanDerWaalsContact O-OG1 3.06Å
284	S	95.6	Very high	90.5	Very high	46 Å²	46	53 Å²	53	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-40.6	177.8	-63	0	0	0	0	112.3	T280 T287 L288	T280-S284 WeakPolarHBondContact O-CB 3.46Å; T280-S284 PolarHBondContact O-N 2.79Å; T280-S284 PolarHBondContact O-OG 2.94Å; S284-T287 PolarHBondContact O-N 2.76Å; S284-L288 WeakPolarHBondContact O-CB 3.11Å; S284-L288 PolarHBondContact O-N 2.71Å
285	M	94.6	Very high	89.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-39.6	176.8	-171.8	62.6	-163.5	0	0	111.7	L256 T281 V282 L283 L288 M289 L310 C313 F314	L256-M285 HydrophobicContact CD1-CB 4.29Å; L256-M285 HydrophobicContact CD1-SD 4.2Å; T281-M285 VanDerWaalsContact O-CB 3.26Å; T281-M285 WeakPolarHBondContact O-CB 3.16Å; T281-M285 PolarHBondContact O-N 3.4Å; V282-M285 PolarHBondContact O-N 3.44Å; L283-M285 VanDerWaalsContact C-N 3.3Å; L283-M285 PolarHBondContact O-N 3.12Å; M285-L288 PolarHBondContact O-N 3.03Å; M285-L288 HydrophobicContact SD-CD2 4.46Å; M285-M289 WeakPolarHBondContact O-CB 3.41Å; M285-M289 PolarHBondContact O-N 3.43Å; M285-L310 HydrophobicContact CE-CB 3.93Å; M285-L310 HydrophobicContact CE-CD2 3.53Å; M285-L310 HydrophobicContact CE-CG 4.35Å; M285-L310 WeakPolarHBondContact CE-O 3.49Å; M285-C313 HydrophobicContact CE-CB 3.43Å; M285-C313 VanDerWaalsContact CE-CB 3.43Å; M285-C313 HydrophobicContact SD-CB 4.18Å; M285-F314 HydrophobicContact CE-CB 4.5Å; M285-F314 HydrophobicContact CG-CB 4.21Å; M285-F314 HydrophobicContact CG-CD2 4.1Å
286	T	93.2	Very high	88.3	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.258	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-43.6	174.9	-54.5	0	0	0	0	110.9	V282 L283 M289 I290	V282-T286 WeakPolarHBondContact O-CB 3.31Å; V282-T286 PolarHBondContact O-N 3.45Å; V282-T286 PolarHBondContact O-OG1 3.49Å; L283-T286 WeakPolarHBondContact O-CB 3.07Å; L283-T286 PolarHBondContact O-N 2.89Å; L283-T286 VanDerWaalsContact O-N 3.13Å; T286-M289 PolarHBondContact O-N 3.3Å; T286-I290 HydrophobicContact CG2-CD1 4.01Å; T286-I290 WeakPolarHBondContact O-CG1 3.36Å; T286-I290 PolarHBondContact O-N 3.06Å
287	T	93.2	Very high	86.7	Confident	87 Å²	87	54.3 Å²	54.3	53%	0.534	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-44.7	175.4	-57.1	0	0	0	0	111.6	L283 S284 M289 I290 G291	L283-T287 PolarHBondContact O-N 3.34Å; L283-T287 PolarHBondContact O-OG1 3.49Å; L283-T287 VanDerWaalsContact O-OG1 3.06Å; S284-T287 PolarHBondContact O-N 2.76Å; T287-M289 PolarHBondContact O-N 2.89Å; T287-I290 PolarHBondContact O-N 2.86Å; T287-G291 PolarHBondContact O-N 2.97Å
288	L	92	Very high	85	Confident	37 Å²	37	59.1 Å²	59.1	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-43.1	177.1	-173.7	67.4	0	0	0	111.6	P252 L256 S284 M285 I290 G291 S292 L310	P252-L288 HydrophobicContact CB-CD2 4.41Å; L256-L288 HydrophobicContact CD1-CD2 4.42Å; S284-L288 WeakPolarHBondContact O-CB 3.11Å; S284-L288 PolarHBondContact O-N 2.71Å; M285-L288 PolarHBondContact O-N 3.03Å; M285-L288 HydrophobicContact SD-CD2 4.46Å; L288-I290 PolarHBondContact O-N 3.23Å; L288-G291 PolarHBondContact O-N 3.33Å; L288-S292 PolarHBondContact O-N 3.32Å; L288-S292 PolarHBondContact O-OG 3.22Å; L288-L310 HydrophobicContact CD2-CD2 4.32Å
289	M	89.3	Confident	83.2	Confident	35 Å²	35	62.6 Å²	62.6	17%	0.172	37%	0.366	C	S	.	.	H	α-helix	trans	-65.5	-36.2	177.8	-174.7	176.6	68	0	0	113	M285 T286 T287 S292 R293	M285-M289 WeakPolarHBondContact O-CB 3.41Å; M285-M289 PolarHBondContact O-N 3.43Å; T286-M289 PolarHBondContact O-N 3.3Å; T287-M289 PolarHBondContact O-N 2.89Å; M289-S292 PolarHBondContact O-OG 2.82Å; M289-R293 WeakPolarHBondContact O-CG 3.43Å; M289-R293 PolarHBondContact O-N 2.72Å
290	I	88.3	Confident	81.3	Confident	101 Å²	101	60.7 Å²	60.7	52%	0.518	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-44.8	173.7	-67.1	167.1	0	0	0	109.9	T286 T287 L288 S292 R293 T294	T286-I290 HydrophobicContact CG2-CD1 4.01Å; T286-I290 WeakPolarHBondContact O-CG1 3.36Å; T286-I290 PolarHBondContact O-N 3.06Å; T287-I290 PolarHBondContact O-N 2.86Å; L288-I290 PolarHBondContact O-N 3.23Å; I290-S292 PolarHBondContact O-N 3.08Å; I290-R293 PolarHBondContact O-N 2.84Å; I290-R293 VanDerWaalsContact O-N 3.12Å; I290-T294 PolarHBondContact O-N 2.92Å
291	G	86.4	Confident	79.7	Confident	40 Å²	40	63.5 Å²	63.5	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-37.3	179.4	0	0	0	0	0	113.6	T287 L288 R293 T294	T287-G291 PolarHBondContact O-N 2.97Å; L288-G291 PolarHBondContact O-N 3.33Å; G291-R293 VanDerWaalsContact C-N 3.29Å; G291-R293 PolarHBondContact O-N 3.05Å; G291-T294 PolarHBondContact O-N 2.96Å; G291-T294 PolarHBondContact O-OG1 2.88Å
292	S	82.6	Confident	78.7	Confident	16 Å²	16	70.5 Å²	70.5	11%	0.112	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-33.2	174.5	66.7	0	0	0	0	111.8	L288 M289 I290 S295 L310	L288-S292 PolarHBondContact O-N 3.32Å; L288-S292 PolarHBondContact O-OG 3.22Å; M289-S292 PolarHBondContact O-OG 2.82Å; I290-S292 PolarHBondContact O-N 3.08Å; S292-S295 PolarHBondContact O-OG 3.26Å; S292-L310 VanDerWaalsContact OG-CD1 3.23Å; S292-L310 WeakPolarHBondContact OG-CD1 3.27Å
293	R	77.8	Confident	78.1	Confident	112 Å²	112	75.7 Å²	75.7	42%	0.423	43%	0.43	S	S	.	.	H	α-helix	trans	-77.4	-28.9	179	-73.3	178.3	177.6	176	3.6	113.7	M289 I290 G291 S295 L296 D307	M289-R293 WeakPolarHBondContact O-CG 3.43Å; M289-R293 PolarHBondContact O-N 2.72Å; I290-R293 PolarHBondContact O-N 2.84Å; I290-R293 VanDerWaalsContact O-N 3.12Å; G291-R293 VanDerWaalsContact C-N 3.29Å; G291-R293 PolarHBondContact O-N 3.05Å; R293-S295 PolarHBondContact O-N 2.98Å; R293-L296 CarbonylContact O-C 3.53Å; R293-L296 PolarHBondContact O-N 2.59Å; R293-D307 IonicContact CZ-OD1 2.98Å; R293-D307 IonicContact NE-OD1 2.76Å; R293-D307 PolarHBondContact NE-OD1 3.34Å; R293-D307 IonicContact NH2-OD1 3.78Å; R293-D307 PolarHBondContact NH2-OD1 2.89Å
294	T	74.6	Confident	77.8	Confident	110 Å²	110	71.8 Å²	71.8	68%	0.675	41%	0.408	S	S	*	.	H	α-helix	trans	-68.4	-23.5	177	52.9	0	0	0	0	112.8	I290 G291 L296	I290-T294 PolarHBondContact O-N 2.92Å; G291-T294 PolarHBondContact O-N 2.96Å; G291-T294 PolarHBondContact O-OG1 2.88Å; T294-L296 PolarHBondContact O-N 3Å
295	S	67.3	Low	77.6	Confident	76 Å²	76	69.6 Å²	69.6	53%	0.531	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.3	176.6	73.6	0	0	0	0	114	S292 R293	S292-S295 PolarHBondContact O-OG 3.26Å; R293-S295 PolarHBondContact O-N 2.98Å
296	L	68.1	Low	77.4	Confident	14 Å²	14	70 Å²	70	7%	0.073	40%	0.395	C	S	.	.	S	Bend	trans	-131.7	109.1	-178.9	-64.6	147	0	0	0	109	E77 Y167 R293 T294 K304	E77-L296 HydrophobicContact CB-CD2 4.17Å; Y167-L296 HydrophobicContact CD1-CD1 3.98Å; Y167-L296 HydrophobicContact CE1-CD1 3.42Å; Y167-L296 VanDerWaalsContact CE1-CD1 3.42Å; Y167-L296 HydrophobicContact CE2-CD1 4.05Å; Y167-L296 HydrophobicContact CE2-CD2 3.89Å; Y167-L296 VanDerWaalsContact CZ-CD1 3.43Å; R293-L296 CarbonylContact O-C 3.53Å; R293-L296 PolarHBondContact O-N 2.59Å; T294-L296 PolarHBondContact O-N 3Å; L296-K304 HydrophobicContact CD1-CD 4.29Å
297	P	59.3	Low	77.3	Confident	66 Å²	66	68.9 Å²	68.9	43%	0.429	39%	0.387	S	S	.	.			trans	-63.3	150.8	-178.6	23.7	-31.1	0	0	0	112.3	S78 T299	S78-P297 WeakPolarHBondContact OG-CG 3.4Å; P297-T299 PolarHBondContact O-N 2.81Å
298	N	56.5	Low	77.2	Confident	150 Å²	150	67.1 Å²	67.1	80%	0.802	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	26	-167.8	-61.6	-40.9	0	0	0	115.1	N300	N298-N300 PolarHBondContact O-N 2.92Å
299	T	53.3	Low	77.3	Confident	82 Å²	82	65.6 Å²	65.6	50%	0.503	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.2	-174	49	0	0	0	0	112.7	S78 P297	S78-T299 PolarHBondContact O-OG1 3.48Å; P297-T299 PolarHBondContact O-N 2.81Å
300	N	55.1	Low	77.5	Confident	45 Å²	45	63.9 Å²	63.9	24%	0.241	36%	0.36	C	S	.	.	S	Bend	trans	-121.8	108.7	-178.7	-58.3	-36	0	0	0	111.2	M80 N298 F302	M80-N300 WeakPolarHBondContact CE-ND2 3.05Å; N298-N300 PolarHBondContact O-N 2.92Å; N300-F302 HydrophobicContact CB-CD2 3.84Å; N300-F302 HydrophobicContact CB-CE2 4.19Å; N300-F302 PolarHBondContact O-N 2.81Å
301	C	60.6	Low	77.8	Confident	129 Å²	129	60.4 Å²	60.4	87%	0.872	35%	0.349	S	S	*	.			trans	-74.5	62.9	175.7	-169.9	0	0	0	0	110.9
302	F	73.8	Confident	78.2	Confident	154 Å²	154	60.8 Å²	60.8	68%	0.675	34%	0.341	S	S	*	.			trans	-127.9	143.4	174.3	-55.1	-67.5	0	0	0	110.3	N300 K304	N300-F302 HydrophobicContact CB-CD2 3.84Å; N300-F302 HydrophobicContact CB-CE2 4.19Å; N300-F302 PolarHBondContact O-N 2.81Å; F302-K304 PolarHBondContact O-N 2.8Å
303	I	83.4	Confident	78.8	Confident	135 Å²	135	60 Å²	60	69%	0.692	34%	0.336	S	S	*	.			trans	-72.9	121.2	175.6	-61.5	171.5	0	0	0	107.8	V308	I303-V308 HydrophobicContact CG2-CG2 3.53Å
304	K	88.9	Confident	79.7	Confident	31 Å²	31	57.8 Å²	57.8	14%	0.135	33%	0.329	C	S	.	.			trans	-90.1	154.6	177	-66.6	177.9	-87.1	-69.5	0	110.8	Y167 L296 F302 I306 D307 V308	Y167-K304 HydrophobicContact CD1-CD 4.14Å; Y167-K304 HydrophobicContact CG-CD 4.23Å; L296-K304 HydrophobicContact CD1-CD 4.29Å; F302-K304 PolarHBondContact O-N 2.8Å; K304-I306 HydrophobicContact CB-CG2 4.02Å; K304-I306 PolarHBondContact O-N 3.35Å; K304-D307 WeakPolarHBondContact CE-OD2 3.45Å; K304-D307 IonicContact NZ-OD2 2.68Å; K304-D307 WeakPolarHBondContact O-CB 3.43Å; K304-D307 PolarHBondContact O-N 3.3Å; K304-V308 PolarHBondContact O-N 3.49Å; K304-V308 VanDerWaalsContact O-N 3.17Å
305	A	90.9	Very high	80.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-54.1	-39.3	174.9	0	0	0	0	0	112.9	S165 Y167 V308 Y309 Y433 Y437	S165-A305 PolarHBondContact O-N 2.05Å; Y167-A305 WeakPolarHBondContact O-CB 3.34Å; A305-V308 PolarHBondContact O-N 3.04Å; A305-Y309 PolarHBondContact O-N 2.82Å; A305-Y309 VanDerWaalsContact O-N 3.16Å; A305-Y433 VanDerWaalsContact C-OH 3.24Å; A305-Y433 WeakPolarHBondContact O-CE2 3.32Å; A305-Y433 PolarHBondContact O-OH 3.1Å; A305-Y437 HydrophobicContact CB-CD1 3.47Å; A305-Y437 VanDerWaalsContact CB-CD1 3.47Å; A305-Y437 HydrophobicContact CB-CD2 4.19Å; A305-Y437 HydrophobicContact CB-CE1 3.23Å; A305-Y437 HydrophobicContact CB-CE2 4.01Å; A305-Y437 HydrophobicContact CB-CG 3.95Å
306	I	90.9	Very high	82	Confident	7 Å²	7	54 Å²	54	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-37.9	176.1	-162.5	169.6	0	0	0	113	Y167 T249 Y250 K304 V308 Y309 L310	Y167-I306 HydrophobicContact CD1-CB 4.44Å; Y167-I306 HydrophobicContact CD1-CG2 3.8Å; Y167-I306 HydrophobicContact CE1-CD1 4.42Å; Y167-I306 HydrophobicContact CE1-CG2 4.18Å; Y167-I306 PolarHBondContact O-N 3.35Å; T249-I306 HydrophobicContact CG2-CD1 3.9Å; T249-I306 HydrophobicContact CG2-CG1 4.25Å; Y250-I306 HydrophobicContact CE2-CD1 4.45Å; Y250-I306 HydrophobicContact CE2-CG1 4.42Å; K304-I306 HydrophobicContact CB-CG2 4.02Å; K304-I306 PolarHBondContact O-N 3.35Å; I306-V308 VanDerWaalsContact C-N 3.29Å; I306-V308 PolarHBondContact O-N 3.35Å; I306-Y309 PolarHBondContact O-N 2.86Å; I306-L310 HydrophobicContact CG1-CD1 4.27Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.23Å
307	D	90.1	Very high	83.3	Confident	20 Å²	20	53.4 Å²	53.4	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-36.4	177.5	-76.7	-57.8	0	0	0	110.7	R293 K304 G311	R293-D307 IonicContact CZ-OD1 2.98Å; R293-D307 IonicContact NE-OD1 2.76Å; R293-D307 PolarHBondContact NE-OD1 3.34Å; R293-D307 IonicContact NH2-OD1 3.78Å; R293-D307 PolarHBondContact NH2-OD1 2.89Å; K304-D307 WeakPolarHBondContact CE-OD2 3.45Å; K304-D307 IonicContact NZ-OD2 2.68Å; K304-D307 WeakPolarHBondContact O-CB 3.43Å; K304-D307 PolarHBondContact O-N 3.3Å; D307-G311 PolarHBondContact O-N 3.44Å
308	V	92.4	Very high	85	Confident	50 Å²	50	55 Å²	55	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-45.9	174.3	178.8	0	0	0	0	110.9	I303 K304 A305 I306 G311 I312	I303-V308 HydrophobicContact CG2-CG2 3.53Å; K304-V308 PolarHBondContact O-N 3.49Å; K304-V308 VanDerWaalsContact O-N 3.17Å; A305-V308 PolarHBondContact O-N 3.04Å; I306-V308 VanDerWaalsContact C-N 3.29Å; I306-V308 PolarHBondContact O-N 3.35Å; V308-G311 PolarHBondContact O-N 3.18Å; V308-I312 HydrophobicContact CG1-CD1 4.15Å; V308-I312 WeakPolarHBondContact O-CG1 3.49Å; V308-I312 PolarHBondContact O-N 3.28Å
309	Y	94.3	Very high	86.8	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-47	178.7	-172.7	-100.1	0	0	0	112.4	Y250 S253 T254 A305 I306 G311 I312 C313 N430 Y433	Y250-Y309 AromaticContact CD1-CD1 3.44Å; Y250-Y309 HydrophobicContact CD1-CD1 3.44Å; Y250-Y309 VanDerWaalsContact CD1-CD1 3.44Å; Y250-Y309 HydrophobicContact CD1-CD2 4.12Å; Y250-Y309 AromaticContact CD1-CE1 3.44Å; Y250-Y309 HydrophobicContact CD1-CE1 3.44Å; Y250-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y250-Y309 HydrophobicContact CD1-CE2 4.11Å; Y250-Y309 AromaticContact CD1-CG 3.8Å; Y250-Y309 HydrophobicContact CD1-CG 3.8Å; Y250-Y309 AromaticContact CD1-CZ 3.79Å; Y250-Y309 AromaticContact CE1-CD1 3.6Å; Y250-Y309 HydrophobicContact CE1-CD1 3.6Å; Y250-Y309 AromaticContact CE1-CD2 3.94Å; Y250-Y309 HydrophobicContact CE1-CD2 3.94Å; Y250-Y309 HydrophobicContact CE1-CE1 4.08Å; Y250-Y309 HydrophobicContact CE1-CE2 4.38Å; Y250-Y309 AromaticContact CE1-CG 3.53Å; Y250-Y309 HydrophobicContact CE1-CG 3.53Å; Y250-Y309 HydrophobicContact CG-CD1 4.42Å; Y250-Y309 HydrophobicContact CG-CE1 4.28Å; S253-Y309 WeakPolarHBondContact OG-CE1 3.13Å; T254-Y309 PolarHBondContact OG1-OH 2.84Å; A305-Y309 PolarHBondContact O-N 2.82Å; A305-Y309 VanDerWaalsContact O-N 3.16Å; I306-Y309 PolarHBondContact O-N 2.86Å; Y309-G311 VanDerWaalsContact C-N 3.28Å; Y309-G311 PolarHBondContact O-N 3.21Å; Y309-I312 PolarHBondContact O-N 2.86Å; Y309-C313 VanDerWaalsContact CE1-SG 3.52Å; Y309-C313 PolarHBondContact O-N 3.29Å; Y309-C313 PolarHBondContact O-SG 3.07Å; Y309-C313 VanDerWaalsContact O-SG 3.33Å; Y309-N430 WeakPolarHBondContact CE2-OD1 3.37Å; Y309-N430 PolarHBondContact OH-OD1 3.46Å; Y309-N430 VanDerWaalsContact OH-OD1 3.12Å; Y309-Y433 AromaticContact CD2-CD1 3.72Å; Y309-Y433 HydrophobicContact CD2-CD1 3.72Å; Y309-Y433 HydrophobicContact CD2-CD2 4.01Å; Y309-Y433 AromaticContact CD2-CE1 3.81Å; Y309-Y433 HydrophobicContact CD2-CE1 3.81Å; Y309-Y433 HydrophobicContact CD2-CE2 4.08Å; Y309-Y433 AromaticContact CD2-CG 3.84Å; Y309-Y433 HydrophobicContact CD2-CG 3.84Å; Y309-Y433 AromaticContact CD2-CZ 4Å; Y309-Y433 HydrophobicContact CE2-CD1 4.26Å; Y309-Y433 HydrophobicContact CG-CE1 4.3Å; Y309-Y433 HydrophobicContact CG-CE2 4.33Å
310	L	93.5	Very high	88.6	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-35.6	176.7	-67.3	173.7	0	0	0	111.2	T249 M285 L288 S292 I306 C313 F314	T249-L310 HydrophobicContact CG2-CD1 4.12Å; T249-L310 HydrophobicContact CG2-CD2 3.86Å; T249-L310 HydrophobicContact CG2-CG 4.34Å; M285-L310 HydrophobicContact CE-CB 3.93Å; M285-L310 HydrophobicContact CE-CD2 3.53Å; M285-L310 HydrophobicContact CE-CG 4.35Å; M285-L310 WeakPolarHBondContact CE-O 3.49Å; L288-L310 HydrophobicContact CD2-CD2 4.32Å; S292-L310 VanDerWaalsContact OG-CD1 3.23Å; S292-L310 WeakPolarHBondContact OG-CD1 3.27Å; I306-L310 HydrophobicContact CG1-CD1 4.27Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.23Å; L310-C313 PolarHBondContact O-N 3.21Å; L310-F314 VanDerWaalsContact O-CB 3.24Å; L310-F314 WeakPolarHBondContact O-CB 3.36Å; L310-F314 PolarHBondContact O-N 3.11Å
311	G	93.8	Very high	90.4	Very high	28 Å²	28	44.9 Å²	44.9	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-43.6	172.4	0	0	0	0	0	113.4	D307 V308 Y309 F314 S315	D307-G311 PolarHBondContact O-N 3.44Å; V308-G311 PolarHBondContact O-N 3.18Å; Y309-G311 VanDerWaalsContact C-N 3.28Å; Y309-G311 PolarHBondContact O-N 3.21Å; G311-F314 PolarHBondContact O-N 2.8Å; G311-S315 PolarHBondContact O-N 2.7Å; G311-S315 PolarHBondContact O-OG 3.38Å
312	I	94.9	Very high	91.8	Very high	48 Å²	48	43.4 Å²	43.4	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-52.7	174	-67.8	165.6	0	0	0	109.7	V308 Y309 F314 S315 F316 A429	V308-I312 HydrophobicContact CG1-CD1 4.15Å; V308-I312 WeakPolarHBondContact O-CG1 3.49Å; V308-I312 PolarHBondContact O-N 3.28Å; Y309-I312 PolarHBondContact O-N 2.86Å; I312-F314 VanDerWaalsContact C-N 3.3Å; I312-F314 PolarHBondContact O-N 3.45Å; I312-S315 WeakPolarHBondContact O-CB 3.3Å; I312-S315 PolarHBondContact O-N 3.34Å; I312-S315 VanDerWaalsContact O-N 3.13Å; I312-F316 HydrophobicContact CG2-CD2 3.87Å; I312-F316 HydrophobicContact CG2-CE2 3.7Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.33Å; I312-F316 PolarHBondContact O-N 3.29Å; I312-F316 VanDerWaalsContact O-N 3.11Å; I312-A429 HydrophobicContact CG2-CB 4.26Å
313	C	95.8	Very high	92.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-42.4	179	-67.1	0	0	0	0	112	V257 M285 Y309 L310 S315 F316 V317	V257-C313 HydrophobicContact CG2-CB 3.7Å; M285-C313 HydrophobicContact CE-CB 3.43Å; M285-C313 VanDerWaalsContact CE-CB 3.43Å; M285-C313 HydrophobicContact SD-CB 4.18Å; Y309-C313 VanDerWaalsContact CE1-SG 3.52Å; Y309-C313 PolarHBondContact O-N 3.29Å; Y309-C313 PolarHBondContact O-SG 3.07Å; Y309-C313 VanDerWaalsContact O-SG 3.33Å; L310-C313 PolarHBondContact O-N 3.21Å; C313-S315 PolarHBondContact O-N 3.27Å; C313-F316 PolarHBondContact O-N 3.1Å; C313-V317 WeakPolarHBondContact O-CG2 3.26Å; C313-V317 PolarHBondContact O-N 3.48Å
314	F	95.4	Very high	93	Very high	64 Å²	64	31.2 Å²	31.2	28%	0.281	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-41.9	176.6	-178.6	-93.8	0	0	0	112.1	V282 M285 L310 G311 I312 F316 V317 F318	V282-F314 HydrophobicContact CG1-CE2 4.23Å; M285-F314 HydrophobicContact CE-CB 4.5Å; M285-F314 HydrophobicContact CG-CB 4.21Å; M285-F314 HydrophobicContact CG-CD2 4.1Å; L310-F314 VanDerWaalsContact O-CB 3.24Å; L310-F314 WeakPolarHBondContact O-CB 3.36Å; L310-F314 PolarHBondContact O-N 3.11Å; G311-F314 PolarHBondContact O-N 2.8Å; I312-F314 VanDerWaalsContact C-N 3.3Å; I312-F314 PolarHBondContact O-N 3.45Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.11Å; F314-V317 PolarHBondContact O-N 2.9Å; F314-F318 VanDerWaalsContact O-CB 3.27Å; F314-F318 WeakPolarHBondContact O-CB 3.45Å; F314-F318 PolarHBondContact O-N 3.11Å
315	S	95.3	Very high	93	Very high	80 Å²	80	32.2 Å²	32.2	56%	0.559	19%	0.187	S	C	*	.	H	α-helix	trans	-62.9	-37.7	175.9	-67.7	0	0	0	0	112.7	G311 I312 C313 G319	G311-S315 PolarHBondContact O-N 2.7Å; G311-S315 PolarHBondContact O-OG 3.38Å; I312-S315 WeakPolarHBondContact O-CB 3.3Å; I312-S315 PolarHBondContact O-N 3.34Å; I312-S315 VanDerWaalsContact O-N 3.13Å; C313-S315 PolarHBondContact O-N 3.27Å; S315-G319 WeakPolarHBondContact O-CA 3.28Å; S315-G319 PolarHBondContact O-N 2.81Å
316	F	95.3	Very high	92.8	Very high	28 Å²	28	35.1 Å²	35.1	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-44.8	175.6	-83.5	-78.5	0	0	0	112.9	V257 I312 C313 F314 G319 A320 F422 I425 F426	V257-F316 HydrophobicContact CG1-CB 4.1Å; I312-F316 HydrophobicContact CG2-CD2 3.87Å; I312-F316 HydrophobicContact CG2-CE2 3.7Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.33Å; I312-F316 PolarHBondContact O-N 3.29Å; I312-F316 VanDerWaalsContact O-N 3.11Å; C313-F316 PolarHBondContact O-N 3.1Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.11Å; F316-G319 PolarHBondContact O-N 2.98Å; F316-A320 PolarHBondContact O-N 2.86Å; F316-F422 AromaticContact CD1-CD1 3.95Å; F316-F422 HydrophobicContact CD1-CD1 3.95Å; F316-F422 HydrophobicContact CD1-CE1 4.5Å; F316-I425 HydrophobicContact CE1-CB 4.15Å; F316-I425 HydrophobicContact CE1-CG2 4.15Å; F316-I425 HydrophobicContact CZ-CB 4.07Å; F316-I425 HydrophobicContact CZ-CG2 3.67Å; F316-F426 HydrophobicContact CD1-CB 4.42Å; F316-F426 AromaticContact CD2-CD2 3.69Å; F316-F426 HydrophobicContact CD2-CD2 3.69Å; F316-F426 HydrophobicContact CD2-CE2 4.42Å; F316-F426 HydrophobicContact CE1-CB 4.03Å; F316-F426 HydrophobicContact CE2-CB 4.29Å; F316-F426 AromaticContact CE2-CD2 3.8Å; F316-F426 HydrophobicContact CE2-CD2 3.8Å; F316-F426 HydrophobicContact CG-CD2 4.15Å; F316-F426 HydrophobicContact CZ-CB 3.96Å; F316-F426 HydrophobicContact CZ-CD2 4.33Å
317	V	95.6	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-44.7	178	175.5	0	0	0	0	110.7	V257 T281 V282 C313 F314 G319 A320 L321	V257-V317 HydrophobicContact CG2-CG2 3.99Å; T281-V317 WeakPolarHBondContact OG1-CG1 3.45Å; V282-V317 HydrophobicContact CB-CG1 4.43Å; V282-V317 HydrophobicContact CG2-CG1 3.73Å; C313-V317 WeakPolarHBondContact O-CG2 3.26Å; C313-V317 PolarHBondContact O-N 3.48Å; F314-V317 PolarHBondContact O-N 2.9Å; V317-G319 VanDerWaalsContact C-N 3.32Å; V317-G319 PolarHBondContact O-N 2.73Å; V317-A320 PolarHBondContact O-N 2.86Å; V317-L321 PolarHBondContact O-N 3.09Å
318	F	95	Very high	92.5	Very high	99 Å²	99	36.7 Å²	36.7	43%	0.434	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-38.9	174.6	-175.1	-99.7	0	0	0	111.9	F314 A320 L321 L322	F314-F318 VanDerWaalsContact O-CB 3.27Å; F314-F318 WeakPolarHBondContact O-CB 3.45Å; F314-F318 PolarHBondContact O-N 3.11Å; F318-A320 VanDerWaalsContact C-N 3.33Å; F318-A320 PolarHBondContact O-N 2.83Å; F318-L321 PolarHBondContact O-N 2.99Å; F318-L322 PolarHBondContact O-N 2.8Å
319	G	93.4	Very high	92.2	Very high	19 Å²	19	41.4 Å²	41.4	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-39.4	174.5	0	0	0	0	0	113	S315 F316 V317 L322 E323	S315-G319 WeakPolarHBondContact O-CA 3.28Å; S315-G319 PolarHBondContact O-N 2.81Å; F316-G319 PolarHBondContact O-N 2.98Å; V317-G319 VanDerWaalsContact C-N 3.32Å; V317-G319 PolarHBondContact O-N 2.73Å; G319-L322 PolarHBondContact O-N 2.93Å; G319-E323 WeakPolarHBondContact O-CB 3.26Å; G319-E323 PolarHBondContact O-N 3.48Å
320	A	92.2	Very high	91.7	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-38.3	175.4	0	0	0	0	0	112.2	F264 F316 V317 F318 Y324 F422	F264-A320 HydrophobicContact CE1-CB 4.17Å; F264-A320 HydrophobicContact CZ-CB 3.9Å; F316-A320 PolarHBondContact O-N 2.86Å; V317-A320 PolarHBondContact O-N 2.86Å; F318-A320 VanDerWaalsContact C-N 3.33Å; F318-A320 PolarHBondContact O-N 2.83Å; A320-Y324 PolarHBondContact O-N 3.44Å; A320-F422 HydrophobicContact CB-CE1 4.41Å
321	L	92	Very high	91.3	Very high	43 Å²	43	43 Å²	43	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-41.3	173.8	-179.3	66.8	0	0	0	111.9	V282 V317 F318 Y324 A325	V282-L321 HydrophobicContact CG2-CD2 4.19Å; V317-L321 PolarHBondContact O-N 3.09Å; F318-L321 PolarHBondContact O-N 2.99Å; L321-Y324 PolarHBondContact O-N 2.89Å; L321-A325 PolarHBondContact O-N 3.49Å; L321-A325 VanDerWaalsContact O-N 3.14Å
322	L	91.7	Very high	90.7	Very high	98 Å²	98	46 Å²	46	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-39.6	178	-171.8	68	0	0	0	111.6	F318 G319 Y324 A325 V326	F318-L322 PolarHBondContact O-N 2.8Å; G319-L322 PolarHBondContact O-N 2.93Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; L322-Y324 PolarHBondContact O-N 3.47Å; L322-A325 WeakPolarHBondContact O-CB 3.49Å; L322-A325 PolarHBondContact O-N 3.37Å; L322-V326 WeakPolarHBondContact O-CG2 3.23Å; L322-V326 PolarHBondContact O-N 2.99Å
323	E	91.2	Very high	90.1	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-47.7	174.5	-171.9	-87	-179.5	0	0	111	F264 G319 A325 V326 A327 V414 S418 F422	F264-E323 HydrophobicContact CE1-CB 4.35Å; F264-E323 HydrophobicContact CE1-CG 4.16Å; F264-E323 WeakPolarHBondContact CE1-OE2 2.99Å; G319-E323 WeakPolarHBondContact O-CB 3.26Å; G319-E323 PolarHBondContact O-N 3.48Å; E323-A325 VanDerWaalsContact C-N 3.34Å; E323-A325 PolarHBondContact O-N 2.82Å; E323-V326 PolarHBondContact O-N 3.16Å; E323-A327 WeakPolarHBondContact O-CB 3.41Å; E323-A327 PolarHBondContact O-N 2.97Å; E323-V414 HydrophobicContact CG-CG1 4.24Å; E323-V414 WeakPolarHBondContact OE1-CG1 3.27Å; E323-S418 WeakPolarHBondContact CG-OG 3.19Å; E323-S418 WeakPolarHBondContact OE1-CB 3.39Å; E323-S418 PolarHBondContact OE1-OG 3.27Å; E323-F422 HydrophobicContact CB-CZ 4.43Å
324	Y	89.3	Confident	89.2	Confident	17 Å²	17	52.2 Å²	52.2	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-43.5	175.6	168	-105	0	0	0	112.3	V271 R274 T275 A320 L321 L322 V326 A327 H328	V271-Y324 VanDerWaalsContact CG1-OH 3.25Å; V271-Y324 WeakPolarHBondContact CG1-OH 3.37Å; V271-Y324 WeakPolarHBondContact CG2-OH 3.46Å; R274-Y324 HydrophobicContact CB-CD2 3.85Å; R274-Y324 HydrophobicContact CB-CE2 3.75Å; R274-Y324 HydrophobicContact CB-CG 4.36Å; R274-Y324 VanDerWaalsContact CD-CD2 3.42Å; R274-Y324 HydrophobicContact CG-CD2 4.31Å; R274-Y324 HydrophobicContact CG-CE2 4.29Å; T275-Y324 HydrophobicContact CG2-CD1 4.26Å; T275-Y324 HydrophobicContact CG2-CE1 3.38Å; A320-Y324 PolarHBondContact O-N 3.44Å; L321-Y324 PolarHBondContact O-N 2.89Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; L322-Y324 PolarHBondContact O-N 3.47Å; Y324-V326 VanDerWaalsContact C-N 3.3Å; Y324-V326 PolarHBondContact O-N 3.44Å; Y324-A327 PolarHBondContact O-N 2.74Å; Y324-H328 HydrophobicContact CE2-CB 4.27Å; Y324-H328 VanDerWaalsContact O-CB 3.26Å; Y324-H328 WeakPolarHBondContact O-CB 3.03Å; Y324-H328 PolarHBondContact O-N 2.89Å
325	A	89.6	Confident	88.3	Confident	51 Å²	51	55 Å²	55	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-41.4	178.1	0	0	0	0	0	111.8	L321 L322 E323 Y329	L321-A325 PolarHBondContact O-N 3.49Å; L321-A325 VanDerWaalsContact O-N 3.14Å; L322-A325 WeakPolarHBondContact O-CB 3.49Å; L322-A325 PolarHBondContact O-N 3.37Å; E323-A325 VanDerWaalsContact C-N 3.34Å; E323-A325 PolarHBondContact O-N 2.82Å; A325-Y329 VanDerWaalsContact O-CB 3.28Å; A325-Y329 WeakPolarHBondContact O-CB 3.49Å; A325-Y329 PolarHBondContact O-N 2.79Å
326	V	87.8	Confident	87.5	Confident	61 Å²	61	53.7 Å²	53.7	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-69.5	-43.9	177	173.9	0	0	0	0	111.5	L322 E323 Y324 Y329 S330 I408	L322-V326 WeakPolarHBondContact O-CG2 3.23Å; L322-V326 PolarHBondContact O-N 2.99Å; E323-V326 PolarHBondContact O-N 3.16Å; Y324-V326 VanDerWaalsContact C-N 3.3Å; Y324-V326 PolarHBondContact O-N 3.44Å; V326-Y329 PolarHBondContact O-N 2.67Å; V326-S330 WeakPolarHBondContact O-CB 3.36Å; V326-S330 PolarHBondContact O-N 3.45Å; V326-S330 PolarHBondContact O-OG 2.68Å; V326-I408 HydrophobicContact CG1-CD1 4.07Å
327	A	86.6	Confident	86.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-41.7	178.2	0	0	0	0	0	111.7	L268 E323 Y324 S330 S331	L268-A327 HydrophobicContact CD2-CB 3.84Å; E323-A327 WeakPolarHBondContact O-CB 3.41Å; E323-A327 PolarHBondContact O-N 2.97Å; Y324-A327 PolarHBondContact O-N 2.74Å; A327-S330 WeakPolarHBondContact CA-OG 3.49Å; A327-S330 PolarHBondContact O-OG 2.76Å; A327-S331 WeakPolarHBondContact O-CB 3.4Å; A327-S331 PolarHBondContact O-N 3.44Å
328	H	86.9	Confident	85.5	Confident	61 Å²	61	62.6 Å²	62.6	28%	0.282	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-46.4	175.4	-177.1	-93.4	0	0	0	111.6	Y324 S330 S331 L332	Y324-H328 HydrophobicContact CE2-CB 4.27Å; Y324-H328 VanDerWaalsContact O-CB 3.26Å; Y324-H328 WeakPolarHBondContact O-CB 3.03Å; Y324-H328 PolarHBondContact O-N 2.89Å; H328-S330 PolarHBondContact O-N 2.91Å; H328-S331 PolarHBondContact O-N 2.81Å; H328-L332 WeakPolarHBondContact CE1-CD1 3.34Å; H328-L332 VanDerWaalsContact O-CD1 3.28Å; H328-L332 WeakPolarHBondContact O-CD1 3.36Å; H328-L332 PolarHBondContact O-N 3.26Å
329	Y	86.9	Confident	84.4	Confident	149 Å²	149	63.1 Å²	63.1	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-43.4	178.8	-177.8	-104.2	0	0	0	112.7	A325 V326 L332 Q333	A325-Y329 VanDerWaalsContact O-CB 3.28Å; A325-Y329 WeakPolarHBondContact O-CB 3.49Å; A325-Y329 PolarHBondContact O-N 2.79Å; V326-Y329 PolarHBondContact O-N 2.67Å; Y329-L332 PolarHBondContact O-N 2.87Å; Y329-Q333 HydrophobicContact CE1-CG 4.14Å; Y329-Q333 PolarHBondContact O-N 3.49Å; Y329-Q333 PolarHBondContact OH-NE2 3.45Å
330	S	84.5	Confident	83.1	Confident	14 Å²	14	71.2 Å²	71.2	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-39.3	176.5	55.1	0	0	0	0	112.5	V326 A327 H328 Q333 Q334	V326-S330 WeakPolarHBondContact O-CB 3.36Å; V326-S330 PolarHBondContact O-N 3.45Å; V326-S330 PolarHBondContact O-OG 2.68Å; A327-S330 WeakPolarHBondContact CA-OG 3.49Å; A327-S330 PolarHBondContact O-OG 2.76Å; H328-S330 PolarHBondContact O-N 2.91Å; S330-Q333 PolarHBondContact O-N 2.73Å; S330-Q334 WeakPolarHBondContact O-CG 3.44Å; S330-Q334 PolarHBondContact O-N 2.89Å
331	S	83.3	Confident	81.6	Confident	23 Å²	23	72.7 Å²	72.7	16%	0.161	38%	0.38	C	S	.	.	H	α-helix	trans	-58.8	-46.2	172.1	-177.3	0	0	0	0	111.9	A327 H328 Q333 Q334 M335	A327-S331 WeakPolarHBondContact O-CB 3.4Å; A327-S331 PolarHBondContact O-N 3.44Å; H328-S331 PolarHBondContact O-N 2.81Å; S331-Q333 VanDerWaalsContact C-N 3.35Å; S331-Q333 PolarHBondContact O-N 2.89Å; S331-Q334 PolarHBondContact O-N 3.25Å; S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.83Å
332	L	82.9	Confident	80	Confident	92 Å²	92	73.8 Å²	73.8	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176.4	-98	71	0	0	0	112.5	H328 Y329 M335 A336	H328-L332 WeakPolarHBondContact CE1-CD1 3.34Å; H328-L332 VanDerWaalsContact O-CD1 3.28Å; H328-L332 WeakPolarHBondContact O-CD1 3.36Å; H328-L332 PolarHBondContact O-N 3.26Å; Y329-L332 PolarHBondContact O-N 2.87Å; L332-M335 PolarHBondContact O-N 2.82Å; L332-A336 PolarHBondContact O-N 2.99Å
333	Q	82	Confident	78.4	Confident	106 Å²	106	72.5 Å²	72.5	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-40.3	177	-74.3	-165.4	-9.9	0	0	112.3	Y329 S330 S331 A336 A337	Y329-Q333 HydrophobicContact CE1-CG 4.14Å; Y329-Q333 PolarHBondContact O-N 3.49Å; Y329-Q333 PolarHBondContact OH-NE2 3.45Å; S330-Q333 PolarHBondContact O-N 2.73Å; S331-Q333 VanDerWaalsContact C-N 3.35Å; S331-Q333 PolarHBondContact O-N 2.89Å; Q333-A336 PolarHBondContact O-N 2.88Å; Q333-A337 WeakPolarHBondContact O-CB 3.47Å; Q333-A337 PolarHBondContact O-N 2.76Å
334	Q	76.8	Confident	76.8	Confident	71 Å²	71	78.5 Å²	78.5	33%	0.332	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-40.4	176.8	-71.2	-166.2	-7.2	0	0	112.3	S330 S331 A336 A337 K338 Q409 P411	S330-Q334 WeakPolarHBondContact O-CG 3.44Å; S330-Q334 PolarHBondContact O-N 2.89Å; S331-Q334 PolarHBondContact O-N 3.25Å; Q334-A336 VanDerWaalsContact C-N 3.34Å; Q334-A336 PolarHBondContact O-N 3.36Å; Q334-A337 PolarHBondContact O-N 2.88Å; Q334-K338 WeakPolarHBondContact O-CB 3.4Å; Q334-K338 PolarHBondContact O-N 2.84Å; Q334-Q409 PolarHBondContact NE2-O 2.84Å; Q334-P411 VanDerWaalsContact NE2-CD 3.31Å
335	M	77	Confident	75.2	Confident	123 Å²	123	83.9 Å²	83.9	61%	0.606	44%	0.436	S	S	*	.	H	α-helix	trans	-60.6	-44.4	174.2	-67.5	-65.9	-175.2	0	0	111.2	S331 L332 A337 K338 D339	S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.83Å; L332-M335 PolarHBondContact O-N 2.82Å; M335-A337 PolarHBondContact O-N 2.85Å; M335-K338 PolarHBondContact O-N 2.91Å; M335-D339 WeakPolarHBondContact O-CB 3.33Å; M335-D339 PolarHBondContact O-N 2.89Å
336	A	78.4	Confident	73.7	Confident	53 Å²	53	86.1 Å²	86.1	44%	0.438	44%	0.444	S	S	.	.	H	α-helix	trans	-66.4	-34.6	176.4	0	0	0	0	0	113.3	L332 Q333 Q334 R340	L332-A336 PolarHBondContact O-N 2.99Å; Q333-A336 PolarHBondContact O-N 2.88Å; Q334-A336 VanDerWaalsContact C-N 3.34Å; Q334-A336 PolarHBondContact O-N 3.36Å; A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 2.88Å; A336-R340 VanDerWaalsContact O-N 3.14Å
337	A	76.2	Confident	72.2	Confident	62 Å²	62	88.9 Å²	88.9	51%	0.512	45%	0.453	S	S	.	.	H	α-helix	trans	-69.6	-39.7	174.9	0	0	0	0	0	111.9	Q333 Q334 M335 R340 G341	Q333-A337 WeakPolarHBondContact O-CB 3.47Å; Q333-A337 PolarHBondContact O-N 2.76Å; Q334-A337 PolarHBondContact O-N 2.88Å; M335-A337 PolarHBondContact O-N 2.85Å; A337-R340 PolarHBondContact O-N 3.29Å; A337-G341 PolarHBondContact O-N 3.46Å
338	K	72.3	Confident	70.6	Confident	153 Å²	153	95.6 Å²	95.6	67%	0.665	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-41.9	176.3	-169	176.4	-179.2	-177.9	0	111.7	Q334 M335 R340 G341 T342	Q334-K338 WeakPolarHBondContact O-CB 3.4Å; Q334-K338 PolarHBondContact O-N 2.84Å; M335-K338 PolarHBondContact O-N 2.91Å; K338-R340 PolarHBondContact O-N 2.85Å; K338-G341 PolarHBondContact O-N 2.79Å; K338-T342 WeakPolarHBondContact O-CB 3.44Å; K338-T342 PolarHBondContact O-N 3.32Å; K338-T342 PolarHBondContact O-OG1 2.77Å
339	D	71.9	Confident	69.2	Low	109 Å²	109	96.9 Å²	96.9	58%	0.583	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-40.5	176.3	-164.6	43.2	0	0	0	111.8	M335 T342 T343	M335-D339 WeakPolarHBondContact O-CB 3.33Å; M335-D339 PolarHBondContact O-N 2.89Å; D339-T342 PolarHBondContact O-N 2.86Å; D339-T343 WeakPolarHBondContact O-CB 3.32Å; D339-T343 PolarHBondContact O-N 2.84Å; D339-T343 PolarHBondContact O-OG1 3.29Å
340	R	66.3	Low	67.6	Low	190 Å²	190	92.7 Å²	92.7	72%	0.717	49%	0.489	S	S	*	.	H	α-helix	trans	-65.6	-37.3	172.3	-76.3	178.4	179.5	-178.9	0.8	113.6	A336 A337 K338 K344	A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 2.88Å; A336-R340 VanDerWaalsContact O-N 3.14Å; A337-R340 PolarHBondContact O-N 3.29Å; K338-R340 PolarHBondContact O-N 2.85Å; R340-K344 WeakPolarHBondContact O-CG 3.25Å; R340-K344 PolarHBondContact O-N 2.99Å
341	G	59.6	Low	66.4	Low	34 Å²	34	96.5 Å²	96.5	35%	0.351	51%	0.507	S	S	.	.	H	α-helix	trans	-67	-44.1	175	0	0	0	0	0	112.2	A337 K338 K344 E345	A337-G341 PolarHBondContact O-N 3.46Å; K338-G341 PolarHBondContact O-N 2.79Å; G341-K344 PolarHBondContact O-N 2.88Å; G341-E345 PolarHBondContact O-N 3.13Å
342	T	58.7	Low	65.1	Low	66 Å²	66	99 Å²	99	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-38.5	179.2	-40.7	0	0	0	0	111.2	K338 D339 E345 V346	K338-T342 WeakPolarHBondContact O-CB 3.44Å; K338-T342 PolarHBondContact O-N 3.32Å; K338-T342 PolarHBondContact O-OG1 2.77Å; D339-T342 PolarHBondContact O-N 2.86Å; T342-E345 PolarHBondContact O-N 3.23Å; T342-V346 WeakPolarHBondContact O-CB 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.78Å
343	T	57.5	Low	63.9	Low	70 Å²	70	99.6 Å²	99.6	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.5	-52	0	0	0	0	111.8	D339 V346 E347	D339-T343 WeakPolarHBondContact O-CB 3.32Å; D339-T343 PolarHBondContact O-N 2.84Å; D339-T343 PolarHBondContact O-OG1 3.29Å; T343-V346 PolarHBondContact O-N 2.89Å; T343-E347 WeakPolarHBondContact O-CB 3.36Å; T343-E347 PolarHBondContact O-N 3.26Å
344	K	58	Low	62.7	Low	144 Å²	144	99 Å²	99	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-66.7	-41.6	174.6	-76	-178.8	177.6	-172.2	0	112.8	R340 G341 E347 E348	R340-K344 WeakPolarHBondContact O-CG 3.25Å; R340-K344 PolarHBondContact O-N 2.99Å; G341-K344 PolarHBondContact O-N 2.88Å; K344-E347 PolarHBondContact O-N 2.9Å; K344-E348 WeakPolarHBondContact O-CB 3.11Å; K344-E348 PolarHBondContact O-N 2.85Å
345	E	55.1	Low	61.7	Low	130 Å²	130	99.7 Å²	99.7	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-39.4	174.6	-77	-177	168	0	0	111.8	G341 T342 V349	G341-E345 PolarHBondContact O-N 3.13Å; T342-E345 PolarHBondContact O-N 3.23Å; E345-V349 WeakPolarHBondContact O-CB 3.38Å; E345-V349 WeakPolarHBondContact O-CG2 3.45Å; E345-V349 PolarHBondContact O-N 3Å
346	V	58.2	Low	60.5	Low	97 Å²	97	99.2 Å²	99.2	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-70.1	-37.9	176.7	174	0	0	0	0	112.1	T342 T343 S350	T342-V346 WeakPolarHBondContact O-CB 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.78Å; T343-V346 PolarHBondContact O-N 2.89Å; V346-S350 VanDerWaalsContact O-CB 3.31Å; V346-S350 WeakPolarHBondContact O-CB 3.41Å; V346-S350 PolarHBondContact O-N 3.07Å
347	E	56.3	Low	59.3	Low	120 Å²	120	100 Å²	100	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-67.1	-42.5	172.7	-84.9	-175.6	152	0	0	112.4	T343 K344 S350 I351	T343-E347 WeakPolarHBondContact O-CB 3.36Å; T343-E347 PolarHBondContact O-N 3.26Å; K344-E347 PolarHBondContact O-N 2.9Å; E347-S350 PolarHBondContact O-N 2.92Å; E347-I351 WeakPolarHBondContact O-CB 3.35Å; E347-I351 VanDerWaalsContact O-CG1 3.26Å; E347-I351 WeakPolarHBondContact O-CG1 3.48Å; E347-I351 PolarHBondContact O-N 3.21Å
348	E	54.8	Low	58	Low	140 Å²	140	100 Å²	100	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-39.3	177.5	-82.5	-173.3	169.1	0	0	112.6	K344 T352	K344-E348 WeakPolarHBondContact O-CB 3.11Å; K344-E348 PolarHBondContact O-N 2.85Å; E348-T352 WeakPolarHBondContact O-CB 3.48Å; E348-T352 PolarHBondContact O-N 3.48Å; E348-T352 PolarHBondContact O-OG1 3.43Å
349	V	56.5	Low	56.7	Low	88 Å²	88	96.9 Å²	96.9	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-69.3	-32.8	175.4	174.8	0	0	0	0	111.7	E345 T352 N353	E345-V349 WeakPolarHBondContact O-CB 3.38Å; E345-V349 WeakPolarHBondContact O-CG2 3.45Å; E345-V349 PolarHBondContact O-N 3Å; V349-T352 WeakPolarHBondContact CA-OG1 3.32Å; V349-T352 PolarHBondContact O-OG1 2.78Å; V349-N353 PolarHBondContact O-N 2.98Å; V349-N353 PolarHBondContact O-ND2 3.21Å
350	S	53.8	Low	55.5	Low	61 Å²	61	96 Å²	96	43%	0.427	52%	0.52	S	S	.	.	H	α-helix	trans	-70.4	-46.9	174.1	-179.5	0	0	0	0	112.2	V346 E347 T352 N353 I354	V346-S350 VanDerWaalsContact O-CB 3.31Å; V346-S350 WeakPolarHBondContact O-CB 3.41Å; V346-S350 PolarHBondContact O-N 3.07Å; E347-S350 PolarHBondContact O-N 2.92Å; S350-T352 PolarHBondContact O-N 3.3Å; S350-N353 PolarHBondContact O-N 3.01Å; S350-I354 VanDerWaalsContact O-CG1 3.3Å; S350-I354 WeakPolarHBondContact O-CG1 3.36Å; S350-I354 PolarHBondContact O-N 2.89Å
351	I	58.4	Low	54.2	Low	94 Å²	94	91.4 Å²	91.4	48%	0.482	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-40.4	-179.3	-69.4	172.2	0	0	0	111.4	E347 N353 I354 I355	E347-I351 WeakPolarHBondContact O-CB 3.35Å; E347-I351 VanDerWaalsContact O-CG1 3.26Å; E347-I351 WeakPolarHBondContact O-CG1 3.48Å; E347-I351 PolarHBondContact O-N 3.21Å; I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 PolarHBondContact O-N 3.02Å; I351-I354 PolarHBondContact O-N 2.76Å; I351-I355 HydrophobicContact CG2-CD1 3.52Å; I351-I355 HydrophobicContact CG2-CG1 4.21Å; I351-I355 WeakPolarHBondContact O-CB 3.49Å; I351-I355 VanDerWaalsContact O-CG1 3.23Å; I351-I355 WeakPolarHBondContact O-CG1 3.21Å; I351-I355 PolarHBondContact O-N 2.92Å
352	T	57	Low	53.1	Low	77 Å²	77	96.2 Å²	96.2	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-35.6	176.4	40.1	0	0	0	0	113.1	E348 V349 S350 N356	E348-T352 WeakPolarHBondContact O-CB 3.48Å; E348-T352 PolarHBondContact O-N 3.48Å; E348-T352 PolarHBondContact O-OG1 3.43Å; V349-T352 WeakPolarHBondContact CA-OG1 3.32Å; V349-T352 PolarHBondContact O-OG1 2.78Å; S350-T352 PolarHBondContact O-N 3.3Å; T352-N356 PolarHBondContact O-N 2.74Å; T352-N356 VanDerWaalsContact O-N 3.09Å
353	N	57.5	Low	52	Low	104 Å²	104	102.4 Å²	102.4	56%	0.556	55%	0.55	S	S	*	*	H	α-helix	trans	-71.7	-35	174.5	-74.6	-29	0	0	0	113	V349 S350 I351 S357	V349-N353 PolarHBondContact O-N 2.98Å; V349-N353 PolarHBondContact O-ND2 3.21Å; S350-N353 PolarHBondContact O-N 3.01Å; I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 PolarHBondContact O-N 3.02Å; N353-S357 PolarHBondContact O-N 3.39Å; N353-S357 PolarHBondContact O-OG 2.81Å
354	I	55.8	Low	51	Low	94 Å²	94	109.5 Å²	109.5	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-71	-38.9	175	-65.4	165.6	0	0	0	111.1	S350 I351 S357 S358	S350-I354 VanDerWaalsContact O-CG1 3.3Å; S350-I354 WeakPolarHBondContact O-CG1 3.36Å; S350-I354 PolarHBondContact O-N 2.89Å; I351-I354 PolarHBondContact O-N 2.76Å; I354-S357 WeakPolarHBondContact CA-OG 3.1Å; I354-S357 PolarHBondContact O-OG 2.82Å; I354-S358 VanDerWaalsContact O-CB 3.28Å; I354-S358 WeakPolarHBondContact O-CB 3.41Å; I354-S358 PolarHBondContact O-N 2.86Å; I354-S358 PolarHBondContact O-OG 2.9Å
355	I	56.3	Low	49.7	Very low	84 Å²	84	110.8 Å²	110.8	43%	0.431	58%	0.575	S	S	.	*	H	α-helix	trans	-68.6	-41.2	178	-69.4	170.2	0	0	0	111.1	I351 S357 S358 I359	I351-I355 HydrophobicContact CG2-CD1 3.52Å; I351-I355 HydrophobicContact CG2-CG1 4.21Å; I351-I355 WeakPolarHBondContact O-CB 3.49Å; I351-I355 VanDerWaalsContact O-CG1 3.23Å; I351-I355 WeakPolarHBondContact O-CG1 3.21Å; I351-I355 PolarHBondContact O-N 2.92Å; I355-S357 PolarHBondContact O-N 2.98Å; I355-S358 PolarHBondContact O-N 2.87Å; I355-I359 HydrophobicContact CG2-CD1 3.4Å; I355-I359 VanDerWaalsContact CG2-CD1 3.4Å; I355-I359 HydrophobicContact CG2-CG1 4.05Å; I355-I359 WeakPolarHBondContact O-CB 3.38Å; I355-I359 VanDerWaalsContact O-CG1 3.22Å; I355-I359 WeakPolarHBondContact O-CG1 3.42Å; I355-I359 PolarHBondContact O-N 2.83Å
356	N	52.7	Low	48.7	Very low	113 Å²	113	110.7 Å²	110.7	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-65.7	-36.2	177.3	-86	-17.3	0	0	0	113.4	T352	T352-N356 PolarHBondContact O-N 2.74Å; T352-N356 VanDerWaalsContact O-N 3.09Å
357	S	53	Low	47.4	Very low	71 Å²	71	111.8 Å²	111.8	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-73.9	-26.5	173.7	53.5	0	0	0	0	113.1	N353 I354 I355 S360	N353-S357 PolarHBondContact O-N 3.39Å; N353-S357 PolarHBondContact O-OG 2.81Å; I354-S357 WeakPolarHBondContact CA-OG 3.1Å; I354-S357 PolarHBondContact O-OG 2.82Å; I355-S357 PolarHBondContact O-N 2.98Å; S357-S360 PolarHBondContact O-OG 3.05Å
358	S	48.5	Very low	46.1	Very low	60 Å²	60	114.9 Å²	114.9	42%	0.42	60%	0.601	S	S	.	*	H	α-helix	trans	-81	-33.8	175.7	-57.1	0	0	0	0	112.8	I354 I355 S360 S361 F362	I354-S358 VanDerWaalsContact O-CB 3.28Å; I354-S358 WeakPolarHBondContact O-CB 3.41Å; I354-S358 PolarHBondContact O-N 2.86Å; I354-S358 PolarHBondContact O-OG 2.9Å; I355-S358 PolarHBondContact O-N 2.87Å; S358-S360 PolarHBondContact O-N 3.08Å; S358-S361 PolarHBondContact O-N 2.9Å; S358-S361 VanDerWaalsContact O-N 3.13Å; S358-F362 WeakPolarHBondContact O-CB 3.33Å; S358-F362 PolarHBondContact O-N 2.89Å
359	I	45.8	Very low	44.8	Very low	88 Å²	88	112.7 Å²	112.7	45%	0.451	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-29	179.1	-73.3	171.9	0	0	0	112.1	I355 S361 K363	I355-I359 HydrophobicContact CG2-CD1 3.4Å; I355-I359 VanDerWaalsContact CG2-CD1 3.4Å; I355-I359 HydrophobicContact CG2-CG1 4.05Å; I355-I359 WeakPolarHBondContact O-CB 3.38Å; I355-I359 VanDerWaalsContact O-CG1 3.22Å; I355-I359 WeakPolarHBondContact O-CG1 3.42Å; I355-I359 PolarHBondContact O-N 2.83Å; I359-S361 PolarHBondContact O-N 2.93Å; I359-K363 PolarHBondContact O-N 3.09Å
360	S	45.2	Very low	43.4	Very low	90 Å²	90	113.4 Å²	113.4	63%	0.629	62%	0.615	S	S	*	*	H	α-helix	trans	-68.1	-22.4	171.2	56.7	0	0	0	0	113.5	S357 S358	S357-S360 PolarHBondContact O-OG 3.05Å; S358-S360 PolarHBondContact O-N 3.08Å
361	S	38.9	Very low	42.1	Very low	95 Å²	95	117.7 Å²	117.7	66%	0.664	63%	0.632	S	S	*	*	H	α-helix	trans	-96.3	-26.6	176.9	-78.1	0	0	0	0	113.6	S358 I359	S358-S361 PolarHBondContact O-N 2.9Å; S358-S361 VanDerWaalsContact O-N 3.13Å; I359-S361 PolarHBondContact O-N 2.93Å
362	F	37.9	Very low	40.5	Very low	135 Å²	135	121.6 Å²	121.6	59%	0.592	65%	0.648	S	S	*	*	H	α-helix	trans	-90.5	-16.9	-174.7	-155.9	-101.5	0	0	0	114.6	S358 R364 K365 I366	S358-F362 WeakPolarHBondContact O-CB 3.33Å; S358-F362 PolarHBondContact O-N 2.89Å; F362-R364 PolarHBondContact O-N 3.15Å; F362-K365 PolarHBondContact O-N 3.29Å; F362-I366 HydrophobicContact CE1-CD1 4.39Å; F362-I366 HydrophobicContact CE2-CD1 3.87Å; F362-I366 HydrophobicContact CZ-CD1 3.51Å
363	K	34.3	Very low	39	Very low	195 Å²	195	125.7 Å²	125.7	85%	0.848	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	4.2	178.4	-130.8	178.9	-173.6	-178.5	0	115.2	I359	I359-K363 PolarHBondContact O-N 3.09Å
364	R	37.1	Very low	37.5	Very low	219 Å²	219	125.8 Å²	125.8	83%	0.826	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-0.8	-179.4	-143.2	-175	-55	158.1	7	114.7	F362	F362-R364 PolarHBondContact O-N 3.15Å
365	K	30.3	Very low	36.1	Very low	171 Å²	171	127 Å²	127	74%	0.743	69%	0.691	S	S	*	*	S	Bend	trans	-144.7	131.9	-178.5	-111.9	178.3	175.9	-177.7	0	109.6	F362	F362-K365 PolarHBondContact O-N 3.29Å
366	I	34.9	Very low	34.6	Very low	129 Å²	129	130.9 Å²	130.9	66%	0.662	71%	0.713	S	S	*	*			trans	94.9	59.7	171.4	-46	152.6	0	0	0	114	F362	F362-I366 HydrophobicContact CE1-CD1 4.39Å; F362-I366 HydrophobicContact CE2-CD1 3.87Å; F362-I366 HydrophobicContact CZ-CD1 3.51Å
367	S	30.6	Very low	33.3	Very low	119 Å²	119	133 Å²	133	83%	0.832	72%	0.724	S	S	*	*			trans	-91.1	87.8	130.1	153.2	0	0	0	0	106.3
368	F	28.1	Very low	32.1	Very low	186 Å²	186	136.7 Å²	136.7	82%	0.816	74%	0.743	S	S	*	*			trans	-178.7	146.2	155.6	-133.8	-107.8	0	0	0	111.6
369	A	27.7	Very low	31	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	76%	0.758	S	S	*	*			trans	88.3	110.3	161.1	0	0	0	0	0	118.8
370	S	26.7	Very low	30.1	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	78%	0.776	S	S	*	*			trans	-79.6	170.5	168.6	45.8	0	0	0	0	114.3
371	I	26.8	Very low	29.2	Very low	152 Å²	152	146.4 Å²	146.4	78%	0.779	78%	0.777	S	S	*	*			trans	128.6	137.2	141.9	-65.1	161.7	0	0	0	115.7
372	E	25.9	Very low	28.7	Very low	175 Å²	175	148.1 Å²	148.1	82%	0.818	78%	0.779	S	S	*	*			trans	-56.1	164.4	-178.6	-61.3	162.5	138.4	0	0	116.8
373	I	25.5	Very low	28.3	Very low	164 Å²	164	149.2 Å²	149.2	84%	0.841	79%	0.79	S	S	*	*				-174.1	144.1	121.7	-88.2	153.2	0	0	0	111.5
374	S	24.6	Very low	28.3	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	78%	0.784	S	S	*	*			trans	-64.9	161.9	-179.8	52.2	0	0	0	0	118.9
375	S	26.3	Very low	28	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	78%	0.781	S	S	*	*			trans	-159.6	150	145	65.9	0	0	0	0	113.9
376	D	25.1	Very low	28.1	Very low	166 Å²	166	142.3 Å²	142.3	89%	0.888	78%	0.78	S	S	*	*			trans	-74.4	167.7	-155.4	-66.4	-59	0	0	0	121.2
377	N	26.1	Very low	28.2	Very low	158 Å²	158	142.1 Å²	142.1	85%	0.845	79%	0.785	S	S	*	*			trans	-65.6	146.8	169	-76.6	-40.1	0	0	0	114.8
378	V	27.3	Very low	28.5	Very low	148 Å²	148	140.5 Å²	140.5	90%	0.897	77%	0.774	S	S	*	*			trans	-140.2	127.8	146.6	178.9	0	0	0	0	109.3
379	D	25.2	Very low	28.9	Very low	135 Å²	135	135 Å²	135	72%	0.722	75%	0.753	S	S	*	*			trans	-89.1	149.9	179.2	-175.8	22.4	0	0	0	111.8
380	Y	27.1	Very low	29.4	Very low	215 Å²	215	138.1 Å²	138.1	84%	0.843	75%	0.749	S	S	*	*			trans	-152.7	105.8	160.6	-140.5	-88.5	0	0	0	110.6
381	S	26.7	Very low	30.1	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	75%	0.747	S	S	*	*			trans	-80.9	129.4	167	55.9	0	0	0	0	111.9
382	D	28.7	Very low	30.7	Very low	132 Å²	132	140.7 Å²	140.7	71%	0.706	74%	0.742	S	S	*	*			trans	76.3	114	139.7	-145.9	14	0	0	0	120.6
383	L	29.1	Very low	31.2	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	73%	0.731	S	S	*	*			trans	-153.5	106.6	147.2	-115.4	132.4	0	0	0	110.7	M385	L383-M385 PolarHBondContact O-N 3.15Å
384	T	33.7	Very low	32	Very low	117 Å²	117	134.6 Å²	134.6	72%	0.718	71%	0.713	S	S	*	*			trans	-38.8	119.7	173	52.3	0	0	0	0	115
385	M	32.4	Very low	32.8	Very low	155 Å²	155	135.5 Å²	135.5	76%	0.764	70%	0.704	S	S	*	*			trans	-74.3	137	172.1	-81.7	176.8	69	0	0	112.8	L383 D389	L383-M385 PolarHBondContact O-N 3.15Å; M385-D389 HydrophobicContact CE-CB 3.7Å
386	K	31.1	Very low	33.3	Very low	167 Å²	167	139.1 Å²	139.1	73%	0.726	70%	0.699	S	S	*	*			trans	-69	145.4	177.2	-79.5	177.5	174.9	174.4	0	112.7	S388 D389	K386-S388 PolarHBondContact O-N 3.32Å; K386-D389 PolarHBondContact O-N 3.34Å
387	T	36.7	Very low	34	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	68%	0.679	S	S	*	*	H	α-helix	trans	-54.6	-20.7	179	-38.9	0	0	0	0	114.9
388	S	37.8	Very low	34.7	Very low	85 Å²	85	134.6 Å²	134.6	59%	0.594	67%	0.666	S	S	*	*	H	α-helix	trans	-65	-34.3	174.4	174.7	0	0	0	0	113.2	K386 F391 K392	K386-S388 PolarHBondContact O-N 3.32Å; S388-F391 PolarHBondContact O-N 3.28Å; S388-K392 PolarHBondContact O-N 2.72Å
389	D	37.2	Very low	35.2	Very low	71 Å²	71	132.9 Å²	132.9	38%	0.38	65%	0.65	S	S	.	*	H	α-helix	trans	-81.4	-25.1	-176.1	-66.6	-34.5	0	0	0	112.6	M385 K386 K392 F393	M385-D389 HydrophobicContact CE-CB 3.7Å; K386-D389 PolarHBondContact O-N 3.34Å; D389-K392 PolarHBondContact O-N 2.86Å; D389-F393 WeakPolarHBondContact O-CB 3.25Å; D389-F393 PolarHBondContact O-N 3.14Å
390	K	37.6	Very low	35.9	Very low	158 Å²	158	127.9 Å²	127.9	69%	0.687	63%	0.63	S	S	*	*	H	α-helix	trans	-64	-39.5	170.2	-82.5	-175.3	176.4	179	0	111.8	F393 V394	K390-F393 PolarHBondContact O-N 2.9Å; K390-V394 WeakPolarHBondContact O-CB 3.29Å; K390-V394 WeakPolarHBondContact O-CG2 3.38Å; K390-V394 PolarHBondContact O-N 2.57Å
391	F	40.9	Very low	36.5	Very low	152 Å²	152	125 Å²	125	67%	0.667	62%	0.617	S	S	*	*	H	α-helix	trans	-69.6	-40.2	179	-150.9	-92.4	0	0	0	111.4	S388 F395	S388-F391 PolarHBondContact O-N 3.28Å; F391-F395 HydrophobicContact CD1-CD2 4.49Å; F391-F395 AromaticContact CE1-CD2 4Å; F391-F395 HydrophobicContact CE1-CD2 4Å; F391-F395 HydrophobicContact CE1-CE2 4.41Å; F391-F395 VanDerWaalsContact O-CB 3.32Å; F391-F395 WeakPolarHBondContact O-CB 3.41Å; F391-F395 PolarHBondContact O-N 3.16Å
392	K	39.4	Very low	37.4	Very low	158 Å²	158	125.8 Å²	125.8	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-62.9	-39.6	173.4	-113.7	178.3	-178.9	176.7	0	112.7	S388 D389 R396	S388-K392 PolarHBondContact O-N 2.72Å; D389-K392 PolarHBondContact O-N 2.86Å; K392-R396 WeakPolarHBondContact O-CB 3.3Å; K392-R396 PolarHBondContact O-N 3.02Å
393	F	36.6	Very low	38.3	Very low	134 Å²	134	123.8 Å²	123.8	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-71	-44	178.7	-161.8	-91.8	0	0	0	112	D389 K390 F395 R396 E397	D389-F393 WeakPolarHBondContact O-CB 3.25Å; D389-F393 PolarHBondContact O-N 3.14Å; K390-F393 PolarHBondContact O-N 2.9Å; F393-F395 PolarHBondContact O-N 2.76Å; F393-R396 PolarHBondContact O-N 3.48Å; F393-E397 VanDerWaalsContact O-CB 3.32Å; F393-E397 WeakPolarHBondContact O-CB 3.49Å; F393-E397 PolarHBondContact O-N 2.86Å
394	V	42.3	Very low	38.9	Very low	76 Å²	76	121.2 Å²	121.2	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-66.9	-37	177	172.9	0	0	0	0	111.8	K390 E397 K398	K390-V394 WeakPolarHBondContact O-CB 3.29Å; K390-V394 WeakPolarHBondContact O-CG2 3.38Å; K390-V394 PolarHBondContact O-N 2.57Å; V394-E397 PolarHBondContact O-N 3.46Å; V394-K398 WeakPolarHBondContact O-CB 3.31Å; V394-K398 PolarHBondContact O-N 2.79Å
395	F	42.5	Very low	39.3	Very low	124 Å²	124	125.5 Å²	125.5	54%	0.544	60%	0.597	S	S	.	*	H	α-helix	trans	-69.7	-38.9	174.7	-137.5	-89.1	0	0	0	111.4	F391 F393 E397 K398 M399	F391-F395 HydrophobicContact CD1-CD2 4.49Å; F391-F395 AromaticContact CE1-CD2 4Å; F391-F395 HydrophobicContact CE1-CD2 4Å; F391-F395 HydrophobicContact CE1-CE2 4.41Å; F391-F395 VanDerWaalsContact O-CB 3.32Å; F391-F395 WeakPolarHBondContact O-CB 3.41Å; F391-F395 PolarHBondContact O-N 3.16Å; F393-F395 PolarHBondContact O-N 2.76Å; F395-E397 VanDerWaalsContact C-N 3.32Å; F395-E397 PolarHBondContact O-N 2.84Å; F395-K398 PolarHBondContact O-N 2.85Å; F395-M399 WeakPolarHBondContact O-CB 3.25Å; F395-M399 PolarHBondContact O-N 3.4Å
396	R	36.4	Very low	39.9	Very low	195 Å²	195	124.7 Å²	124.7	74%	0.736	59%	0.59	S	S	*	*	H	α-helix	trans	-65.1	-34.7	174.5	-172.5	176.8	178.4	-172.1	-1.3	112.3	K392 F393 G400	K392-R396 WeakPolarHBondContact O-CB 3.3Å; K392-R396 PolarHBondContact O-N 3.02Å; F393-R396 PolarHBondContact O-N 3.48Å; R396-G400 WeakPolarHBondContact O-CA 3.49Å; R396-G400 PolarHBondContact O-N 3.35Å
397	E	39.2	Very low	40.3	Very low	98 Å²	98	121.1 Å²	121.1	46%	0.458	58%	0.582	S	S	.	*	H	α-helix	trans	-80.4	-31.2	178.6	-161.6	-177.9	-151.4	0	0	112.9	F393 V394 F395 R401	F393-E397 VanDerWaalsContact O-CB 3.32Å; F393-E397 WeakPolarHBondContact O-CB 3.49Å; F393-E397 PolarHBondContact O-N 2.86Å; V394-E397 PolarHBondContact O-N 3.46Å; F395-E397 VanDerWaalsContact C-N 3.32Å; F395-E397 PolarHBondContact O-N 2.84Å; E397-R401 WeakPolarHBondContact O-CB 3.37Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 IonicContact OE2-NH2 4Å
398	K	40	Very low	40.9	Very low	132 Å²	132	117.1 Å²	117.1	57%	0.574	56%	0.555	S	S	*	*	H	α-helix	trans	-74.2	-40.7	169.1	-93.1	-173.5	173.4	-176	0	112.5	V394 F395 G400 R401 I402	V394-K398 WeakPolarHBondContact O-CB 3.31Å; V394-K398 PolarHBondContact O-N 2.79Å; F395-K398 PolarHBondContact O-N 2.85Å; K398-G400 VanDerWaalsContact C-N 3.34Å; K398-R401 PolarHBondContact O-N 2.9Å; K398-I402 WeakPolarHBondContact O-CG1 3.42Å; K398-I402 PolarHBondContact O-N 3.06Å
399	M	39	Very low	41.6	Very low	112 Å²	112	121.1 Å²	121.1	55%	0.552	57%	0.565	S	S	*	*	H	α-helix	trans	-66.2	-40.3	174.2	-154.6	84.1	135.7	0	0	110.1	F395 I402 V403	F395-M399 WeakPolarHBondContact O-CB 3.25Å; F395-M399 PolarHBondContact O-N 3.4Å; M399-I402 PolarHBondContact O-N 3.38Å; M399-V403 VanDerWaalsContact O-CB 3.29Å; M399-V403 WeakPolarHBondContact O-CB 3.5Å; M399-V403 WeakPolarHBondContact O-CG2 3.38Å; M399-V403 PolarHBondContact O-N 3.29Å
400	G	39.4	Very low	42.4	Very low	30 Å²	30	121.4 Å²	121.4	31%	0.309	57%	0.566	S	S	.	*	H	α-helix	trans	-59.9	-42.5	171.3	0	0	0	0	0	112.8	R396 K398 V403 D404	R396-G400 WeakPolarHBondContact O-CA 3.49Å; R396-G400 PolarHBondContact O-N 3.35Å; K398-G400 VanDerWaalsContact C-N 3.34Å; G400-V403 CarbonylContact O-C 3.58Å; G400-V403 PolarHBondContact O-N 3.13Å; G400-D404 WeakPolarHBondContact O-CB 3.39Å; G400-D404 PolarHBondContact O-N 3.11Å
401	R	40.4	Very low	43.5	Very low	153 Å²	153	114.5 Å²	114.5	58%	0.577	54%	0.537	S	S	*	.	H	α-helix	trans	-68.2	-33.7	174.9	-94.6	-176.8	-77.8	-175.8	-11.3	114.5	E397 K398 Y405	E397-R401 WeakPolarHBondContact O-CB 3.37Å; E397-R401 PolarHBondContact O-N 3.17Å; E397-R401 IonicContact OE2-NH2 4Å; K398-R401 PolarHBondContact O-N 2.9Å; R401-Y405 WeakPolarHBondContact O-CB 3.47Å; R401-Y405 PolarHBondContact O-N 2.94Å
402	I	45.8	Very low	44.5	Very low	110 Å²	110	110.8 Å²	110.8	56%	0.564	53%	0.531	S	S	*	.	H	α-helix	trans	-72.1	-37.8	173.5	-67.7	167.4	0	0	0	110.2	K398 M399 Y405 F406	K398-I402 WeakPolarHBondContact O-CG1 3.42Å; K398-I402 PolarHBondContact O-N 3.06Å; M399-I402 PolarHBondContact O-N 3.38Å; I402-Y405 PolarHBondContact O-N 2.99Å; I402-F406 PolarHBondContact O-N 3.42Å
403	V	47.3	Very low	46	Very low	89 Å²	89	106.2 Å²	106.2	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-68.4	-35.2	174.7	170.2	0	0	0	0	111.6	M399 G400 F406 T407	M399-V403 VanDerWaalsContact O-CB 3.29Å; M399-V403 WeakPolarHBondContact O-CB 3.5Å; M399-V403 WeakPolarHBondContact O-CG2 3.38Å; M399-V403 PolarHBondContact O-N 3.29Å; G400-V403 CarbonylContact O-C 3.58Å; G400-V403 PolarHBondContact O-N 3.13Å; V403-F406 CarbonylContact O-C 3.57Å; V403-F406 WeakPolarHBondContact O-CA 3.26Å; V403-F406 PolarHBondContact O-N 3.24Å; V403-T407 PolarHBondContact O-N 2.96Å
404	D	40.6	Very low	47.9	Very low	104 Å²	104	100.8 Å²	100.8	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-74.2	-32.4	173.4	-80.3	-18.4	0	0	0	112.2	G400 F406 T407	G400-D404 WeakPolarHBondContact O-CB 3.39Å; G400-D404 PolarHBondContact O-N 3.11Å; D404-F406 PolarHBondContact O-N 3.06Å; D404-T407 WeakPolarHBondContact O-CB 3.12Å; D404-T407 PolarHBondContact O-N 2.91Å; D404-T407 VanDerWaalsContact O-N 3.08Å; D404-T407 PolarHBondContact O-OG1 2.94Å
405	Y	43.3	Very low	49.7	Very low	207 Å²	207	97.9 Å²	97.9	81%	0.812	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-28	167	-169.7	-95.4	0	0	0	111.8	R401 I402	R401-Y405 WeakPolarHBondContact O-CB 3.47Å; R401-Y405 PolarHBondContact O-N 2.94Å; I402-Y405 PolarHBondContact O-N 2.99Å
406	F	44	Very low	51.6	Low	139 Å²	139	100.8 Å²	100.8	61%	0.61	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	23.4	170.9	-105.9	-85.8	0	0	0	113.2	I402 V403 D404 I408	I402-F406 PolarHBondContact O-N 3.42Å; V403-F406 CarbonylContact O-C 3.57Å; V403-F406 WeakPolarHBondContact O-CA 3.26Å; V403-F406 PolarHBondContact O-N 3.24Å; D404-F406 PolarHBondContact O-N 3.06Å; F406-I408 HydrophobicContact CD1-CD1 4Å; F406-I408 HydrophobicContact CD1-CG1 4.31Å; F406-I408 HydrophobicContact CE1-CD1 4.49Å; F406-I408 PolarHBondContact O-N 2.9Å
407	T	40.3	Very low	53.9	Low	91 Å²	91	99.5 Å²	99.5	56%	0.558	48%	0.477	S	S	*	.			trans	-70	83.3	165.2	44.8	0	0	0	0	108.4	V403 D404 Q409	V403-T407 PolarHBondContact O-N 2.96Å; D404-T407 WeakPolarHBondContact O-CB 3.12Å; D404-T407 PolarHBondContact O-N 2.91Å; D404-T407 VanDerWaalsContact O-N 3.08Å; D404-T407 PolarHBondContact O-OG1 2.94Å; T407-Q409 VanDerWaalsContact C-N 3.3Å; T407-Q409 PolarHBondContact O-N 2.9Å
408	I	49.3	Very low	56.2	Low	41 Å²	41	95.3 Å²	95.3	21%	0.21	46%	0.459	C	S	.	.			trans	-58.5	97.9	169.1	-70.7	157.9	0	0	0	106.2	V326 F406 N410 V414	V326-I408 HydrophobicContact CG1-CD1 4.07Å; F406-I408 HydrophobicContact CD1-CD1 4Å; F406-I408 HydrophobicContact CD1-CG1 4.31Å; F406-I408 HydrophobicContact CE1-CD1 4.49Å; F406-I408 PolarHBondContact O-N 2.9Å; I408-N410 VanDerWaalsContact CG2-O 3.24Å; I408-N410 WeakPolarHBondContact CG2-O 3.41Å; I408-N410 PolarHBondContact O-N 2.88Å; I408-N410 VanDerWaalsContact O-N 3.16Å; I408-V414 HydrophobicContact CB-CG2 4.19Å; I408-V414 HydrophobicContact CD1-CG2 3.7Å; I408-V414 HydrophobicContact CG1-CG2 3.96Å; I408-V414 HydrophobicContact CG2-CG2 3.2Å
409	Q	51.3	Low	58.5	Low	170 Å²	170	92.5 Å²	92.5	79%	0.794	45%	0.446	S	S	*	.	S	Bend	trans	-68.1	-13.2	-177	-146.7	157.6	-0.5	0	0	111.7	Q334 T407	Q334-Q409 PolarHBondContact NE2-O 2.84Å; T407-Q409 VanDerWaalsContact C-N 3.3Å; T407-Q409 PolarHBondContact O-N 2.9Å
410	N	55.4	Low	60.9	Low	76 Å²	76	93.2 Å²	93.2	41%	0.406	45%	0.452	S	S	.	.			trans	-151.6	121.2	174.1	-76.7	-54.8	0	0	0	112	I408 S412 N413	I408-N410 VanDerWaalsContact CG2-O 3.24Å; I408-N410 WeakPolarHBondContact CG2-O 3.41Å; I408-N410 PolarHBondContact O-N 2.88Å; I408-N410 VanDerWaalsContact O-N 3.16Å; N410-S412 PolarHBondContact O-N 2.76Å; N410-N413 HydrophobicContact CB-CB 4.2Å; N410-N413 WeakPolarHBondContact O-CB 3.46Å; N410-N413 PolarHBondContact O-N 3.29Å
411	P	59	Low	63.3	Low	13 Å²	13	96.3 Å²	96.3	8%	0.084	46%	0.46	C	S	.	.	H	α-helix	trans	-63	-28.7	176.2	23.4	-33	0	0	0	112.3	L268 Q334 N413 V414	L268-P411 HydrophobicContact CD1-CB 4.44Å; Q334-P411 VanDerWaalsContact NE2-CD 3.31Å; P411-N413 PolarHBondContact O-N 3Å; P411-V414 PolarHBondContact O-N 3Å
412	S	61.9	Low	65.8	Low	75 Å²	75	90.4 Å²	90.4	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-23.1	173.2	55.9	0	0	0	0	113.8	N410	N410-S412 PolarHBondContact O-N 2.76Å
413	N	71.2	Confident	68.1	Low	61 Å²	61	86.8 Å²	86.8	33%	0.326	42%	0.423	S	S	.	.	H	α-helix	trans	-78.5	-27.9	175.2	-75.3	-14	0	0	0	112	N410 P411 R416 Y417	N410-N413 HydrophobicContact CB-CB 4.2Å; N410-N413 WeakPolarHBondContact O-CB 3.46Å; N410-N413 PolarHBondContact O-N 3.29Å; P411-N413 PolarHBondContact O-N 3Å; N413-R416 WeakPolarHBondContact O-CB 3.19Å; N413-R416 PolarHBondContact O-N 2.86Å; N413-Y417 HydrophobicContact CB-CD2 4.33Å; N413-Y417 HydrophobicContact CB-CE2 4.12Å; N413-Y417 WeakPolarHBondContact O-CD2 3.5Å; N413-Y417 PolarHBondContact O-N 3.4Å
414	V	77.3	Confident	70.3	Confident	21 Å²	21	87 Å²	87	13%	0.127	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-56.1	178.7	-171.1	0	0	0	0	109.9	E323 I408 P411 R416 Y417 S418	E323-V414 HydrophobicContact CG-CG1 4.24Å; E323-V414 WeakPolarHBondContact OE1-CG1 3.27Å; I408-V414 HydrophobicContact CB-CG2 4.19Å; I408-V414 HydrophobicContact CD1-CG2 3.7Å; I408-V414 HydrophobicContact CG1-CG2 3.96Å; I408-V414 HydrophobicContact CG2-CG2 3.2Å; P411-V414 PolarHBondContact O-N 3Å; V414-R416 PolarHBondContact O-N 2.83Å; V414-R416 VanDerWaalsContact O-N 3.12Å; V414-Y417 PolarHBondContact O-N 3.24Å; V414-Y417 VanDerWaalsContact O-N 3.09Å; V414-S418 WeakPolarHBondContact O-CB 3.33Å; V414-S418 PolarHBondContact O-N 3.17Å; V414-S418 PolarHBondContact O-OG 3.42Å
415	D	80.6	Confident	72.9	Confident	14 Å²	14	85.6 Å²	85.6	8%	0.075	41%	0.412	C	S	.	.	H	α-helix	trans	-55.6	-35.4	176.9	-76.4	-24.2	0	0	0	111.1	R274 K419	R274-D415 IonicContact CZ-OD1 3.51Å; R274-D415 IonicContact CZ-OD2 3.6Å; R274-D415 IonicContact NH1-OD1 3.14Å; R274-D415 PolarHBondContact NH1-OD1 3.4Å; R274-D415 VanDerWaalsContact NH1-OD1 3.09Å; R274-D415 IonicContact NH1-OD2 2.79Å; R274-D415 IonicContact NH2-OD1 3.5Å; R274-D415 PolarHBondContact NH2-OD1 3.27Å; R274-D415 IonicContact NH2-OD2 2.79Å; R274-D415 PolarHBondContact NH2-OD2 3.48Å; D415-K419 WeakPolarHBondContact O-CB 3.31Å; D415-K419 WeakPolarHBondContact O-CD 3.48Å; D415-K419 WeakPolarHBondContact O-CG 3.25Å; D415-K419 PolarHBondContact O-N 3.34Å; D415-K419 VanDerWaalsContact O-N 3.1Å
416	R	82.5	Confident	75.4	Confident	186 Å²	186	76 Å²	76	70%	0.702	38%	0.375	S	S	*	.	H	α-helix	trans	-68.6	-42.5	179.3	-172.8	174.9	180	168.8	0.2	112.6	N413 V414	N413-R416 WeakPolarHBondContact O-CB 3.19Å; N413-R416 PolarHBondContact O-N 2.86Å; V414-R416 PolarHBondContact O-N 2.83Å; V414-R416 VanDerWaalsContact O-N 3.12Å
417	Y	84.8	Confident	77.8	Confident	168 Å²	168	75.2 Å²	75.2	66%	0.659	37%	0.374	S	S	*	.	H	α-helix	trans	-72.1	-40.8	175.3	-72.2	-64.3	0	0	0	111.5	N413 V414 K419 L420 L421	N413-Y417 HydrophobicContact CB-CD2 4.33Å; N413-Y417 HydrophobicContact CB-CE2 4.12Å; N413-Y417 WeakPolarHBondContact O-CD2 3.5Å; N413-Y417 PolarHBondContact O-N 3.4Å; V414-Y417 PolarHBondContact O-N 3.24Å; V414-Y417 VanDerWaalsContact O-N 3.09Å; Y417-K419 VanDerWaalsContact C-N 3.31Å; Y417-K419 PolarHBondContact O-N 3.11Å; Y417-L420 PolarHBondContact O-N 3.04Å; Y417-L420 VanDerWaalsContact O-N 3.14Å; Y417-L421 VanDerWaalsContact O-CB 3.27Å; Y417-L421 WeakPolarHBondContact O-CB 3.38Å; Y417-L421 PolarHBondContact O-N 3.41Å
418	S	87.3	Confident	80.4	Confident	10 Å²	10	75.1 Å²	75.1	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-57.6	-41.6	178.1	-59.9	0	0	0	0	112.1	E323 V414 L420 L421 F422	E323-S418 WeakPolarHBondContact CG-OG 3.19Å; E323-S418 WeakPolarHBondContact OE1-CB 3.39Å; E323-S418 PolarHBondContact OE1-OG 3.27Å; V414-S418 WeakPolarHBondContact O-CB 3.33Å; V414-S418 PolarHBondContact O-N 3.17Å; V414-S418 PolarHBondContact O-OG 3.42Å; S418-L420 VanDerWaalsContact C-N 3.25Å; S418-L420 PolarHBondContact O-N 2.91Å; S418-L421 PolarHBondContact O-N 3.11Å; S418-F422 WeakPolarHBondContact O-CB 3.43Å; S418-F422 WeakPolarHBondContact O-CD2 3.42Å; S418-F422 PolarHBondContact O-N 3.12Å; S418-F422 VanDerWaalsContact O-N 3.12Å
419	K	88.3	Confident	82.6	Confident	73 Å²	73	74.4 Å²	74.4	32%	0.317	37%	0.37	S	S	.	.	H	α-helix	trans	-57	-32.9	176.9	-79	166.3	-170	174.7	0	114.5	F264 D415 Y417 P423	F264-K419 HydrophobicContact CB-CG 3.86Å; F264-K419 WeakPolarHBondContact O-CE 3.38Å; F264-K419 PolarHBondContact O-NZ 3.48Å; F264-K419 VanDerWaalsContact O-NZ 3.15Å; D415-K419 WeakPolarHBondContact O-CB 3.31Å; D415-K419 WeakPolarHBondContact O-CD 3.48Å; D415-K419 WeakPolarHBondContact O-CG 3.25Å; D415-K419 PolarHBondContact O-N 3.34Å; D415-K419 VanDerWaalsContact O-N 3.1Å; Y417-K419 VanDerWaalsContact C-N 3.31Å; Y417-K419 PolarHBondContact O-N 3.11Å; K419-P423 WeakPolarHBondContact O-CD 3.23Å; K419-P423 WeakPolarHBondContact O-CG 2.95Å
420	L	88.7	Confident	84.7	Confident	127 Å²	127	67.3 Å²	67.3	67%	0.665	34%	0.338	S	S	*	.	H	α-helix	trans	-94.1	-42.6	-179.6	-173.3	69.3	0	0	0	111.4	Y417 S418 L424	Y417-L420 PolarHBondContact O-N 3.04Å; Y417-L420 VanDerWaalsContact O-N 3.14Å; S418-L420 VanDerWaalsContact C-N 3.25Å; S418-L420 PolarHBondContact O-N 2.91Å; L420-L424 VanDerWaalsContact O-CB 3.28Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 3.04Å
421	L	90.8	Very high	86.5	Confident	94 Å²	94	68.2 Å²	68.2	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-71.1	-46.2	-170.8	-171	68.7	0	0	0	112.2	Y417 S418 L424 I425	Y417-L421 VanDerWaalsContact O-CB 3.27Å; Y417-L421 WeakPolarHBondContact O-CB 3.38Å; Y417-L421 PolarHBondContact O-N 3.41Å; S418-L421 PolarHBondContact O-N 3.11Å; L421-L424 PolarHBondContact O-N 3.37Å; L421-I425 HydrophobicContact CD1-CD1 3.72Å; L421-I425 HydrophobicContact CD1-CG1 4.07Å; L421-I425 HydrophobicContact CD2-CD1 4.21Å; L421-I425 HydrophobicContact CG-CD1 3.6Å; L421-I425 HydrophobicContact CG-CG1 4.22Å; L421-I425 VanDerWaalsContact O-CG1 3.29Å; L421-I425 WeakPolarHBondContact O-CG1 3.31Å; L421-I425 PolarHBondContact O-N 3.22Å
422	F	92.5	Very high	88.2	Confident	30 Å²	30	74.7 Å²	74.7	13%	0.132	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-50.9	-176.6	-85.9	-109.3	0	0	0	112.4	F264 F316 A320 E323 S418 L424 F426	F264-F422 HydrophobicContact CE2-CB 3.99Å; F264-F422 HydrophobicContact CE2-CD1 4.3Å; F264-F422 HydrophobicContact CE2-CD2 4.16Å; F264-F422 AromaticContact CE2-CG 3.92Å; F264-F422 HydrophobicContact CE2-CG 3.92Å; F264-F422 HydrophobicContact CZ-CB 4.46Å; F264-F422 AromaticContact CZ-CD1 3.99Å; F264-F422 HydrophobicContact CZ-CD1 3.99Å; F264-F422 AromaticContact CZ-CD2 3.94Å; F264-F422 HydrophobicContact CZ-CD2 3.94Å; F264-F422 HydrophobicContact CZ-CE1 4.15Å; F264-F422 HydrophobicContact CZ-CE2 4.09Å; F264-F422 AromaticContact CZ-CG 3.89Å; F264-F422 HydrophobicContact CZ-CG 3.89Å; F264-F422 HydrophobicContact CZ-CZ 4.2Å; F316-F422 AromaticContact CD1-CD1 3.95Å; F316-F422 HydrophobicContact CD1-CD1 3.95Å; F316-F422 HydrophobicContact CD1-CE1 4.5Å; A320-F422 HydrophobicContact CB-CE1 4.41Å; E323-F422 HydrophobicContact CB-CZ 4.43Å; S418-F422 WeakPolarHBondContact O-CB 3.43Å; S418-F422 WeakPolarHBondContact O-CD2 3.42Å; S418-F422 PolarHBondContact O-N 3.12Å; S418-F422 VanDerWaalsContact O-N 3.12Å; F422-L424 VanDerWaalsContact C-N 3.34Å; F422-L424 PolarHBondContact O-N 3.45Å; F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.45Å; F422-F426 PolarHBondContact O-N 3.45Å
423	P	93.3	Very high	89.8	Confident	34 Å²	34	71.6 Å²	71.6	22%	0.221	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-38.9	177	-24.1	35.2	0	0	0	113.2	W261 K419 F426 M427	W261-P423 HydrophobicContact CD2-CG 4.02Å; W261-P423 HydrophobicContact CE3-CB 4.23Å; W261-P423 HydrophobicContact CE3-CG 3.76Å; W261-P423 HydrophobicContact CH2-CB 3.73Å; W261-P423 HydrophobicContact CH2-CG 4.09Å; W261-P423 HydrophobicContact CZ2-CB 4.24Å; W261-P423 HydrophobicContact CZ2-CG 4.32Å; W261-P423 HydrophobicContact CZ3-CB 3.71Å; W261-P423 HydrophobicContact CZ3-CG 3.79Å; K419-P423 WeakPolarHBondContact O-CD 3.23Å; K419-P423 WeakPolarHBondContact O-CG 2.95Å; P423-F426 PolarHBondContact O-N 2.91Å; P423-M427 WeakPolarHBondContact O-CB 3.48Å; P423-M427 VanDerWaalsContact O-CG 3.26Å; P423-M427 WeakPolarHBondContact O-CG 3.45Å; P423-M427 PolarHBondContact O-N 3.32Å
424	L	93.3	Very high	90.9	Very high	92 Å²	92	71.7 Å²	71.7	48%	0.482	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-46.8	-177.8	-170.3	150.6	0	0	0	111.7	L420 L421 F422 F426 M427 L428	L420-L424 VanDerWaalsContact O-CB 3.28Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 3.04Å; L421-L424 PolarHBondContact O-N 3.37Å; F422-L424 VanDerWaalsContact C-N 3.34Å; F422-L424 PolarHBondContact O-N 3.45Å; L424-F426 VanDerWaalsContact C-N 3.33Å; L424-F426 PolarHBondContact O-N 3.16Å; L424-M427 PolarHBondContact O-N 3.45Å; L424-L428 HydrophobicContact CD2-CD1 3.69Å; L424-L428 HydrophobicContact CD2-CG 4.44Å; L424-L428 WeakPolarHBondContact O-CG 3.36Å; L424-L428 PolarHBondContact O-N 2.86Å
425	I	94.9	Very high	91.6	Very high	76 Å²	76	72.8 Å²	72.8	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-40	176.9	-59.4	175.1	0	0	0	110.1	F316 L421 M427 L428 A429	F316-I425 HydrophobicContact CE1-CB 4.15Å; F316-I425 HydrophobicContact CE1-CG2 4.15Å; F316-I425 HydrophobicContact CZ-CB 4.07Å; F316-I425 HydrophobicContact CZ-CG2 3.67Å; L421-I425 HydrophobicContact CD1-CD1 3.72Å; L421-I425 HydrophobicContact CD1-CG1 4.07Å; L421-I425 HydrophobicContact CD2-CD1 4.21Å; L421-I425 HydrophobicContact CG-CD1 3.6Å; L421-I425 HydrophobicContact CG-CG1 4.22Å; L421-I425 VanDerWaalsContact O-CG1 3.29Å; L421-I425 WeakPolarHBondContact O-CG1 3.31Å; L421-I425 PolarHBondContact O-N 3.22Å; I425-M427 PolarHBondContact O-N 3.05Å; I425-L428 PolarHBondContact O-N 3.25Å; I425-A429 WeakPolarHBondContact O-CB 3.34Å; I425-A429 PolarHBondContact O-N 2.82Å
426	F	95.8	Very high	92.2	Very high	6 Å²	6	78.7 Å²	78.7	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-41.3	178.2	-176.7	-106.6	0	0	0	112.3	T254 V257 W261 F316 F422 P423 L424 A429 N430	T254-F426 HydrophobicContact CG2-CE1 4Å; T254-F426 HydrophobicContact CG2-CZ 4.24Å; V257-F426 HydrophobicContact CB-CE2 4.25Å; V257-F426 HydrophobicContact CB-CZ 4.16Å; V257-F426 HydrophobicContact CG1-CD1 4.3Å; V257-F426 HydrophobicContact CG1-CD2 3.91Å; V257-F426 HydrophobicContact CG1-CE1 4.27Å; V257-F426 HydrophobicContact CG1-CE2 3.89Å; V257-F426 HydrophobicContact CG1-CG 4.12Å; V257-F426 HydrophobicContact CG1-CZ 4.06Å; V257-F426 HydrophobicContact CG2-CE2 4Å; V257-F426 HydrophobicContact CG2-CZ 4.2Å; W261-F426 HydrophobicContact CH2-CB 4.37Å; W261-F426 AromaticContact CH2-CD1 3.89Å; W261-F426 HydrophobicContact CH2-CD1 3.89Å; W261-F426 HydrophobicContact CH2-CG 4.43Å; W261-F426 HydrophobicContact CZ2-CB 3.86Å; W261-F426 AromaticContact CZ2-CD1 3.87Å; W261-F426 HydrophobicContact CZ2-CD1 3.87Å; W261-F426 AromaticContact CZ2-CG 3.99Å; W261-F426 HydrophobicContact CZ2-CG 3.99Å; F316-F426 HydrophobicContact CD1-CB 4.42Å; F316-F426 AromaticContact CD2-CD2 3.69Å; F316-F426 HydrophobicContact CD2-CD2 3.69Å; F316-F426 HydrophobicContact CD2-CE2 4.42Å; F316-F426 HydrophobicContact CE1-CB 4.03Å; F316-F426 HydrophobicContact CE2-CB 4.29Å; F316-F426 AromaticContact CE2-CD2 3.8Å; F316-F426 HydrophobicContact CE2-CD2 3.8Å; F316-F426 HydrophobicContact CG-CD2 4.15Å; F316-F426 HydrophobicContact CZ-CB 3.96Å; F316-F426 HydrophobicContact CZ-CD2 4.33Å; F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.45Å; F422-F426 PolarHBondContact O-N 3.45Å; P423-F426 PolarHBondContact O-N 2.91Å; L424-F426 VanDerWaalsContact C-N 3.33Å; L424-F426 PolarHBondContact O-N 3.16Å; F426-A429 PolarHBondContact O-N 3.33Å; F426-N430 WeakPolarHBondContact CD1-ND2 3.25Å; F426-N430 WeakPolarHBondContact CE1-ND2 3.49Å; F426-N430 WeakPolarHBondContact CE2-ND2 3.32Å; F426-N430 WeakPolarHBondContact CZ-ND2 3.32Å; F426-N430 PolarHBondContact O-N 3.35Å; F426-N430 PolarHBondContact O-ND2 2.83Å
427	M	94.7	Very high	92.6	Very high	122 Å²	122	71.7 Å²	71.7	60%	0.601	35%	0.353	S	S	*	.	H	α-helix	trans	-62.5	-44.1	174.6	-74.9	-64.9	-70.8	0	0	111.8	P423 L424 I425 N430 V431	P423-M427 WeakPolarHBondContact O-CB 3.48Å; P423-M427 VanDerWaalsContact O-CG 3.26Å; P423-M427 WeakPolarHBondContact O-CG 3.45Å; P423-M427 PolarHBondContact O-N 3.32Å; L424-M427 PolarHBondContact O-N 3.45Å; I425-M427 PolarHBondContact O-N 3.05Å; M427-N430 PolarHBondContact O-N 2.75Å; M427-V431 WeakPolarHBondContact O-CG2 3.3Å; M427-V431 PolarHBondContact O-N 3.07Å
428	L	95.5	Very high	92.8	Very high	88 Å²	88	68.6 Å²	68.6	46%	0.461	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-46.6	174.6	-73.8	171.6	0	0	0	111.5	L424 I425 N430 V431 F432	L424-L428 HydrophobicContact CD2-CD1 3.69Å; L424-L428 HydrophobicContact CD2-CG 4.44Å; L424-L428 WeakPolarHBondContact O-CG 3.36Å; L424-L428 PolarHBondContact O-N 2.86Å; I425-L428 PolarHBondContact O-N 3.25Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 3.2Å; L428-V431 PolarHBondContact O-N 3.04Å; L428-F432 HydrophobicContact CB-CE2 4.48Å; L428-F432 WeakPolarHBondContact O-CD2 3.47Å; L428-F432 PolarHBondContact O-N 3.15Å
429	A	95.1	Very high	92.6	Very high	26 Å²	26	77.4 Å²	77.4	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-59.3	-39.7	178.2	0	0	0	0	0	112.1	I312 I425 F426 Y433	I312-A429 HydrophobicContact CG2-CB 4.26Å; I425-A429 WeakPolarHBondContact O-CB 3.34Å; I425-A429 PolarHBondContact O-N 2.82Å; F426-A429 PolarHBondContact O-N 3.33Å; A429-Y433 VanDerWaalsContact O-CB 3.23Å; A429-Y433 WeakPolarHBondContact O-CB 3.48Å; A429-Y433 PolarHBondContact O-N 2.89Å
430	N	95.1	Very high	91.9	Very high	22 Å²	22	82 Å²	82	12%	0.118	40%	0.401	C	S	.	.	H	α-helix	trans	-63.6	-47.5	174.4	-87	-84.6	0	0	0	112.1	Y309 F426 M427 L428 F432 Y433 W434	Y309-N430 WeakPolarHBondContact CE2-OD1 3.37Å; Y309-N430 PolarHBondContact OH-OD1 3.46Å; Y309-N430 VanDerWaalsContact OH-OD1 3.12Å; F426-N430 WeakPolarHBondContact CD1-ND2 3.25Å; F426-N430 WeakPolarHBondContact CE1-ND2 3.49Å; F426-N430 WeakPolarHBondContact CE2-ND2 3.32Å; F426-N430 WeakPolarHBondContact CZ-ND2 3.32Å; F426-N430 PolarHBondContact O-N 3.35Å; F426-N430 PolarHBondContact O-ND2 2.83Å; M427-N430 PolarHBondContact O-N 2.75Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 3.2Å; N430-F432 VanDerWaalsContact C-N 3.32Å; N430-F432 PolarHBondContact O-N 3.01Å; N430-Y433 PolarHBondContact O-N 3.14Å; N430-W434 PolarHBondContact O-N 3.37Å
431	V	94.7	Very high	92	Very high	95 Å²	95	79.8 Å²	79.8	58%	0.576	39%	0.388	S	S	*	.	H	α-helix	trans	-58.9	-46.2	178.5	172.1	0	0	0	0	110.6	M427 L428 A435	M427-V431 WeakPolarHBondContact O-CG2 3.3Å; M427-V431 PolarHBondContact O-N 3.07Å; L428-V431 PolarHBondContact O-N 3.04Å; V431-A435 WeakPolarHBondContact O-CB 3.37Å; V431-A435 PolarHBondContact O-N 3.46Å
432	F	94.9	Very high	92.1	Very high	149 Å²	149	79.1 Å²	79.1	65%	0.654	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-43.5	176.4	-77	-64	0	0	0	112.6	L428 N430 Y436	L428-F432 HydrophobicContact CB-CE2 4.48Å; L428-F432 WeakPolarHBondContact O-CD2 3.47Å; L428-F432 PolarHBondContact O-N 3.15Å; N430-F432 VanDerWaalsContact C-N 3.32Å; N430-F432 PolarHBondContact O-N 3.01Å; F432-Y436 VanDerWaalsContact O-CB 3.25Å; F432-Y436 WeakPolarHBondContact O-CB 3.34Å; F432-Y436 PolarHBondContact O-N 3.05Å
433	Y	94.7	Very high	92.1	Very high	10 Å²	10	81.8 Å²	81.8	4%	0.039	40%	0.396	C	S	.	.	H	α-helix	trans	-59.2	-54.3	179.2	178.2	-90.9	0	0	0	111.7	M169 Y250 A305 Y309 A429 N430 Y436 Y437	M169-Y433 HydrophobicContact CE-CE1 3.9Å; Y250-Y433 AromaticContact CE1-CE1 3.68Å; Y250-Y433 HydrophobicContact CE1-CE1 3.68Å; Y250-Y433 AromaticContact CE1-CZ 4Å; Y250-Y433 PolarHBondContact OH-OH 2.83Å; A305-Y433 VanDerWaalsContact C-OH 3.24Å; A305-Y433 WeakPolarHBondContact O-CE2 3.32Å; A305-Y433 PolarHBondContact O-OH 3.1Å; Y309-Y433 AromaticContact CD2-CD1 3.72Å; Y309-Y433 HydrophobicContact CD2-CD1 3.72Å; Y309-Y433 HydrophobicContact CD2-CD2 4.01Å; Y309-Y433 AromaticContact CD2-CE1 3.81Å; Y309-Y433 HydrophobicContact CD2-CE1 3.81Å; Y309-Y433 HydrophobicContact CD2-CE2 4.08Å; Y309-Y433 AromaticContact CD2-CG 3.84Å; Y309-Y433 HydrophobicContact CD2-CG 3.84Å; Y309-Y433 AromaticContact CD2-CZ 4Å; Y309-Y433 HydrophobicContact CE2-CD1 4.26Å; Y309-Y433 HydrophobicContact CG-CE1 4.3Å; Y309-Y433 HydrophobicContact CG-CE2 4.33Å; A429-Y433 VanDerWaalsContact O-CB 3.23Å; A429-Y433 WeakPolarHBondContact O-CB 3.48Å; A429-Y433 PolarHBondContact O-N 2.89Å; N430-Y433 PolarHBondContact O-N 3.14Å; Y433-Y436 PolarHBondContact O-N 2.68Å; Y433-Y437 HydrophobicContact CD1-CD2 4.36Å; Y433-Y437 AromaticContact CD2-CD2 3.63Å; Y433-Y437 HydrophobicContact CD2-CD2 3.63Å; Y433-Y437 AromaticContact CD2-CE2 3.56Å; Y433-Y437 HydrophobicContact CD2-CE2 3.56Å; Y433-Y437 HydrophobicContact CE1-CD2 4.12Å; Y433-Y437 AromaticContact CE2-CD2 3.36Å; Y433-Y437 HydrophobicContact CE2-CD2 3.36Å; Y433-Y437 AromaticContact CE2-CE2 3.23Å; Y433-Y437 HydrophobicContact CE2-CE2 3.23Å; Y433-Y437 HydrophobicContact CG-CD2 4.11Å; Y433-Y437 HydrophobicContact CG-CE2 4.45Å; Y433-Y437 AromaticContact CZ-CD2 3.61Å; Y433-Y437 AromaticContact CZ-CE2 3.92Å; Y433-Y437 WeakPolarHBondContact O-CD2 3.5Å; Y433-Y437 PolarHBondContact O-N 3.05Å
434	W	93.5	Very high	92	Very high	63 Å²	63	84.6 Å²	84.6	24%	0.239	41%	0.406	C	S	.	.	H	α-helix	trans	-67.7	-39.1	-178.1	-73.2	107.6	0	0	0	111.9	M169 I246 Y250 N430 L438	M169-W434 HydrophobicContact CE-CE3 4.4Å; M169-W434 HydrophobicContact CE-CZ3 4.07Å; M169-W434 HydrophobicContact SD-CE3 4.05Å; M169-W434 HydrophobicContact SD-CZ3 3.72Å; I246-W434 HydrophobicContact CD1-CH2 4.17Å; I246-W434 HydrophobicContact CG1-CH2 4.07Å; Y250-W434 HydrophobicContact CD1-CH2 4.23Å; Y250-W434 AromaticContact CD1-CZ2 3.78Å; Y250-W434 HydrophobicContact CD1-CZ2 3.78Å; Y250-W434 HydrophobicContact CE1-CH2 4.3Å; Y250-W434 HydrophobicContact CE1-CZ2 4.12Å; Y250-W434 HydrophobicContact CG-CH2 4.43Å; Y250-W434 HydrophobicContact CG-CZ2 4.2Å; N430-W434 PolarHBondContact O-N 3.37Å; W434-L438 HydrophobicContact CB-CD1 4.38Å; W434-L438 HydrophobicContact CE3-CD1 3.89Å; W434-L438 HydrophobicContact CE3-CG 4.14Å; W434-L438 WeakPolarHBondContact O-CB 3.21Å; W434-L438 VanDerWaalsContact O-CG 3.31Å; W434-L438 WeakPolarHBondContact O-CG 3.38Å; W434-L438 PolarHBondContact O-N 2.73Å
435	A	93.2	Very high	91.9	Very high	44 Å²	44	84.1 Å²	84.1	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.1	0	0	0	0	0	112	V431 Y439	V431-A435 WeakPolarHBondContact O-CB 3.37Å; V431-A435 PolarHBondContact O-N 3.46Å; A435-Y439 WeakPolarHBondContact O-CB 3.33Å; A435-Y439 WeakPolarHBondContact O-CD2 3.28Å; A435-Y439 PolarHBondContact O-N 2.83Å
436	Y	93.3	Very high	91.7	Very high	137 Å²	137	84.7 Å²	84.7	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-55.2	178.1	-176.2	-97.8	0	0	0	111.2	F432 Y433 L438 F440	F432-Y436 VanDerWaalsContact O-CB 3.25Å; F432-Y436 WeakPolarHBondContact O-CB 3.34Å; F432-Y436 PolarHBondContact O-N 3.05Å; Y433-Y436 PolarHBondContact O-N 2.68Å; Y436-L438 PolarHBondContact O-N 3.02Å; Y436-F440 HydrophobicContact CD2-CB 4.28Å; Y436-F440 HydrophobicContact CE2-CB 4.36Å; Y436-F440 CarbonylContact O-C 3.56Å; Y436-F440 WeakPolarHBondContact O-CA 3.22Å; Y436-F440 WeakPolarHBondContact O-CB 3.05Å; Y436-F440 PolarHBondContact O-N 3.43Å; Y436-F440 VanDerWaalsContact O-OXT 3.07Å
437	Y	91.1	Very high	91.5	Very high	40 Å²	40	90.3 Å²	90.3	16%	0.157	43%	0.429	C	S	.	.	H	α-helix	trans	-78.6	-17.8	-171.7	-72.7	-70.6	0	0	0	115.5	M169 A305 Y433	M169-Y437 HydrophobicContact CE-CG 4.3Å; A305-Y437 HydrophobicContact CB-CD1 3.47Å; A305-Y437 VanDerWaalsContact CB-CD1 3.47Å; A305-Y437 HydrophobicContact CB-CD2 4.19Å; A305-Y437 HydrophobicContact CB-CE1 3.23Å; A305-Y437 HydrophobicContact CB-CE2 4.01Å; A305-Y437 HydrophobicContact CB-CG 3.95Å; Y433-Y437 HydrophobicContact CD1-CD2 4.36Å; Y433-Y437 AromaticContact CD2-CD2 3.63Å; Y433-Y437 HydrophobicContact CD2-CD2 3.63Å; Y433-Y437 AromaticContact CD2-CE2 3.56Å; Y433-Y437 HydrophobicContact CD2-CE2 3.56Å; Y433-Y437 HydrophobicContact CE1-CD2 4.12Å; Y433-Y437 AromaticContact CE2-CD2 3.36Å; Y433-Y437 HydrophobicContact CE2-CD2 3.36Å; Y433-Y437 AromaticContact CE2-CE2 3.23Å; Y433-Y437 HydrophobicContact CE2-CE2 3.23Å; Y433-Y437 HydrophobicContact CG-CD2 4.11Å; Y433-Y437 HydrophobicContact CG-CE2 4.45Å; Y433-Y437 AromaticContact CZ-CD2 3.61Å; Y433-Y437 AromaticContact CZ-CE2 3.92Å; Y433-Y437 WeakPolarHBondContact O-CD2 3.5Å; Y433-Y437 PolarHBondContact O-N 3.05Å
438	L	87.3	Confident	91.2	Very high	103 Å²	103	87.8 Å²	87.8	54%	0.539	42%	0.416	S	S	.	.	H	α-helix	trans	-87.6	-29.9	174.8	-69.9	172.5	0	0	0	113.5	M169 W434 Y436	M169-L438 HydrophobicContact CG-CD2 4.48Å; M169-L438 HydrophobicContact SD-CD2 3.66Å; M169-L438 HydrophobicContact SD-CG 4.08Å; W434-L438 HydrophobicContact CB-CD1 4.38Å; W434-L438 HydrophobicContact CE3-CD1 3.89Å; W434-L438 HydrophobicContact CE3-CG 4.14Å; W434-L438 WeakPolarHBondContact O-CB 3.21Å; W434-L438 VanDerWaalsContact O-CG 3.31Å; W434-L438 WeakPolarHBondContact O-CG 3.38Å; W434-L438 PolarHBondContact O-N 2.73Å; Y436-L438 PolarHBondContact O-N 3.02Å
439	Y	84.6	Confident	90.8	Very high	195 Å²	195	87.8 Å²	87.8	77%	0.765	41%	0.412	S	S	*	.	H	α-helix	trans	-109.9	-32.6	-174	-68.2	-82	0	0	0	114.1	A435	A435-Y439 WeakPolarHBondContact O-CB 3.33Å; A435-Y439 WeakPolarHBondContact O-CD2 3.28Å; A435-Y439 PolarHBondContact O-N 2.83Å
440	F	72.8	Confident	90.5	Very high	170 Å²	170	93.5 Å²	93.5	75%	0.746	43%	0.43	S	S	*	.			trans	-106.6	0	-179.5	-70.2	-83.1	0	0	0	111.5	K166 Y436	K166-F440 WeakPolarHBondContact CE-OXT 3.17Å; K166-F440 PolarHBondContact NZ-O 2.91Å; K166-F440 PolarHBondContact NZ-OXT 3.25Å; Y436-F440 HydrophobicContact CD2-CB 4.28Å; Y436-F440 HydrophobicContact CE2-CB 4.36Å; Y436-F440 CarbonylContact O-C 3.56Å; Y436-F440 WeakPolarHBondContact O-CA 3.22Å; Y436-F440 WeakPolarHBondContact O-CB 3.05Å; Y436-F440 PolarHBondContact O-N 3.43Å; Y436-F440 VanDerWaalsContact O-OXT 3.07Å

Retrieved 440 of 440 residues in 212.5 ms (Link to these results)

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