A0A3Q0KUK3_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KUK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 399 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.8	Low	74.5	Confident	192 Å²	192	114.4 Å²	114.4	95%	0.946	56%	0.562	S	S	*	*				0	-54.1	0	-122.7	171.4	80.4	0	0	112.7	M3 F4 I5	M1-M3 PolarHBondContact O-N 3.32Å; M1-F4 PolarHBondContact O-N 3.3Å; M1-F4 VanDerWaalsContact O-N 3.11Å; M1-I5 PolarHBondContact O-N 3.5Å
2	N	72.2	Confident	74.3	Confident	126 Å²	126	112.9 Å²	112.9	67%	0.674	56%	0.558	S	S	*	*	H	α-helix	trans	-56.9	-40	-175.2	-71.9	-0.3	0	0	0	115.4	F4 I5 I6	N2-F4 VanDerWaalsContact C-N 3.31Å; N2-F4 PolarHBondContact O-N 3.4Å; N2-I5 PolarHBondContact O-N 3.2Å; N2-I6 WeakPolarHBondContact O-CG1 3.28Å; N2-I6 PolarHBondContact O-N 2.79Å
3	M	72.6	Confident	74.2	Confident	134 Å²	134	119.4 Å²	119.4	66%	0.66	57%	0.572	S	S	*	*	H	α-helix	trans	-62.5	-36.2	177.9	-114.8	-77.6	-76.9	0	0	113.1	M1 I6 I7	M1-M3 PolarHBondContact O-N 3.32Å; M3-I6 PolarHBondContact O-N 2.91Å; M3-I7 HydrophobicContact CE-CD1 3.9Å; M3-I7 WeakPolarHBondContact O-CG1 3.44Å; M3-I7 PolarHBondContact O-N 2.95Å; M3-I7 VanDerWaalsContact O-N 3.14Å; M3-I7 HydrophobicContact SD-CD1 4.33Å
4	F	73.2	Confident	73.7	Confident	151 Å²	151	117.4 Å²	117.4	66%	0.662	57%	0.565	S	S	*	*	H	α-helix	trans	-71	-38.4	-178.7	-143	-93.9	0	0	0	111.5	M1 N2 I7 I8	M1-F4 PolarHBondContact O-N 3.3Å; M1-F4 VanDerWaalsContact O-N 3.11Å; N2-F4 VanDerWaalsContact C-N 3.31Å; N2-F4 PolarHBondContact O-N 3.4Å; F4-I7 PolarHBondContact O-N 3.42Å; F4-I8 HydrophobicContact CD1-CD1 3.72Å; F4-I8 HydrophobicContact CD1-CG1 4.41Å; F4-I8 HydrophobicContact CE1-CD1 4.03Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 2.77Å; F4-I8 VanDerWaalsContact O-N 3.08Å
5	I	78.1	Confident	72.9	Confident	79 Å²	79	119.3 Å²	119.3	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-64.7	-41.3	176.1	-62.8	171.5	0	0	0	110.6	M1 N2 I8 Q9	M1-I5 PolarHBondContact O-N 3.5Å; N2-I5 PolarHBondContact O-N 3.2Å; I5-I8 PolarHBondContact O-N 3.41Å; I5-Q9 HydrophobicContact CG2-CG 4.41Å; I5-Q9 WeakPolarHBondContact O-CB 3.39Å; I5-Q9 WeakPolarHBondContact O-CG 3.45Å; I5-Q9 PolarHBondContact O-N 3.06Å
6	I	78.9	Confident	72.4	Confident	87 Å²	87	122.1 Å²	122.1	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-64	-43.2	178.3	-66.8	165.9	0	0	0	111.2	N2 M3 Q9 L10	N2-I6 WeakPolarHBondContact O-CG1 3.28Å; N2-I6 PolarHBondContact O-N 2.79Å; M3-I6 PolarHBondContact O-N 2.91Å; I6-Q9 PolarHBondContact O-N 3.43Å; I6-L10 HydrophobicContact CG2-CD1 3.88Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.14Å; I6-L10 PolarHBondContact O-N 2.87Å
7	I	77.8	Confident	72	Confident	87 Å²	87	125.5 Å²	125.5	45%	0.446	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-45.4	177.4	-67.6	167.8	0	0	0	110.6	M3 F4 Q9 L10 F11	M3-I7 HydrophobicContact CE-CD1 3.9Å; M3-I7 WeakPolarHBondContact O-CG1 3.44Å; M3-I7 PolarHBondContact O-N 2.95Å; M3-I7 VanDerWaalsContact O-N 3.14Å; M3-I7 HydrophobicContact SD-CD1 4.33Å; F4-I7 PolarHBondContact O-N 3.42Å; I7-Q9 VanDerWaalsContact C-N 3.34Å; I7-Q9 PolarHBondContact O-N 3.38Å; I7-L10 PolarHBondContact O-N 3.22Å; I7-F11 WeakPolarHBondContact O-CB 3.48Å; I7-F11 PolarHBondContact O-N 2.8Å
8	I	77.5	Confident	70.9	Confident	85 Å²	85	129.4 Å²	129.4	44%	0.436	60%	0.599	S	S	.	*	H	α-helix	trans	-62.7	-41.3	177.5	-68.1	169.6	0	0	0	111.1	F4 I5 F11 N12	F4-I8 HydrophobicContact CD1-CD1 3.72Å; F4-I8 HydrophobicContact CD1-CG1 4.41Å; F4-I8 HydrophobicContact CE1-CD1 4.03Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 2.77Å; F4-I8 VanDerWaalsContact O-N 3.08Å; I5-I8 PolarHBondContact O-N 3.41Å; I8-F11 PolarHBondContact O-N 3.41Å; I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 3.25Å
9	Q	78.7	Confident	70	Confident	117 Å²	117	128.7 Å²	128.7	55%	0.547	61%	0.605	S	S	.	*	H	α-helix	trans	-66.4	-41.5	177.7	-76.7	179.2	-12.7	0	0	112.7	I5 I6 I7 F11 N12 R13	I5-Q9 HydrophobicContact CG2-CG 4.41Å; I5-Q9 WeakPolarHBondContact O-CB 3.39Å; I5-Q9 WeakPolarHBondContact O-CG 3.45Å; I5-Q9 PolarHBondContact O-N 3.06Å; I6-Q9 PolarHBondContact O-N 3.43Å; I7-Q9 VanDerWaalsContact C-N 3.34Å; I7-Q9 PolarHBondContact O-N 3.38Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-N12 PolarHBondContact O-N 2.81Å; Q9-R13 WeakPolarHBondContact O-CB 3.41Å; Q9-R13 PolarHBondContact O-N 2.85Å
10	L	77.6	Confident	69.1	Low	93 Å²	93	125.9 Å²	125.9	49%	0.487	59%	0.592	S	S	.	*	H	α-helix	trans	-62.1	-42.9	173.9	-77.7	166.5	0	0	0	110.8	I6 I7 R13 I14	I6-L10 HydrophobicContact CG2-CD1 3.88Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.14Å; I6-L10 PolarHBondContact O-N 2.87Å; I7-L10 PolarHBondContact O-N 3.22Å; L10-R13 PolarHBondContact O-N 2.9Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.46Å
11	F	71.6	Confident	68.2	Low	107 Å²	107	127.5 Å²	127.5	47%	0.469	60%	0.597	S	S	.	*	H	α-helix	trans	-64.4	-44.9	178.5	-148.3	-90	0	0	0	111.8	I7 I8 Q9 R13 I14 Y15	I7-F11 WeakPolarHBondContact O-CB 3.48Å; I7-F11 PolarHBondContact O-N 2.8Å; I8-F11 PolarHBondContact O-N 3.41Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.49Å; F11-I14 PolarHBondContact O-N 3.37Å; F11-Y15 WeakPolarHBondContact O-CB 3.49Å; F11-Y15 PolarHBondContact O-N 2.83Å
12	N	72.9	Confident	68	Low	97 Å²	97	127.6 Å²	127.6	52%	0.519	59%	0.593	S	S	.	*	H	α-helix	trans	-61.4	-39.9	174.7	-84.7	-11	0	0	0	112.2	I8 Q9 Y15 Q16	I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 3.25Å; Q9-N12 PolarHBondContact O-N 2.81Å; N12-Y15 PolarHBondContact O-N 3.09Å; N12-Q16 WeakPolarHBondContact O-CG 3.34Å; N12-Q16 PolarHBondContact O-N 2.96Å
13	R	72.8	Confident	67.3	Low	197 Å²	197	128 Å²	128	74%	0.743	59%	0.593	S	S	*	*	H	α-helix	trans	-64.5	-40.1	175.2	-87.7	-175.2	172	-179.7	-2.1	112.6	Q9 L10 F11	Q9-R13 WeakPolarHBondContact O-CB 3.41Å; Q9-R13 PolarHBondContact O-N 2.85Å; L10-R13 PolarHBondContact O-N 2.9Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.49Å
14	I	66.5	Low	66.7	Low	92 Å²	92	125.4 Å²	125.4	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-68.5	-41.7	177.4	-67.7	164.3	0	0	0	110.1	L10 F11 Q16 R17 M20	L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.46Å; F11-I14 PolarHBondContact O-N 3.37Å; I14-Q16 PolarHBondContact O-N 3.48Å; I14-R17 PolarHBondContact O-N 3.21Å; I14-M20 HydrophobicContact CG2-CE 4.31Å
15	Y	61.9	Low	66.4	Low	146 Å²	146	121.6 Å²	121.6	57%	0.573	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-33.9	-179.3	-169.6	-100.2	0	0	0	113.4	F11 N12 R17	F11-Y15 WeakPolarHBondContact O-CB 3.49Å; F11-Y15 PolarHBondContact O-N 2.83Å; N12-Y15 PolarHBondContact O-N 3.09Å; Y15-R17 PolarHBondContact O-N 2.86Å
16	Q	65.3	Low	66.2	Low	163 Å²	163	126.6 Å²	126.6	76%	0.762	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-11.9	178.6	-78.8	-165	-5.8	0	0	114.6	N12 I14 K18	N12-Q16 WeakPolarHBondContact O-CG 3.34Å; N12-Q16 PolarHBondContact O-N 2.96Å; I14-Q16 PolarHBondContact O-N 3.48Å; Q16-K18 PolarHBondContact O-N 2.89Å; Q16-K18 VanDerWaalsContact O-N 3.08Å
17	R	65.6	Low	66	Low	181 Å²	181	129.6 Å²	129.6	68%	0.683	59%	0.594	S	S	*	*	S	Bend	trans	-66.2	113.7	171.5	-72.6	-173.2	172.4	-172.2	-2	108.4	I14 Y15 T19 M20	I14-R17 PolarHBondContact O-N 3.21Å; Y15-R17 PolarHBondContact O-N 2.86Å; R17-T19 PolarHBondContact O-N 3.43Å; R17-M20 PolarHBondContact O-N 2.76Å
18	K	52.7	Low	66	Low	196 Å²	196	131.4 Å²	131.4	85%	0.852	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-48.5	-21.6	-178.2	-78.9	-178.3	174.1	179.4	0	114.4	Q16	Q16-K18 PolarHBondContact O-N 2.89Å; Q16-K18 VanDerWaalsContact O-N 3.08Å
19	T	53.1	Low	66.2	Low	115 Å²	115	130.4 Å²	130.4	71%	0.706	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-74.1	-18.7	176.7	49.7	0	0	0	0	114.7	R17	R17-T19 PolarHBondContact O-N 3.43Å
20	M	51.6	Low	66.3	Low	73 Å²	73	130.2 Å²	130.2	36%	0.36	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-85.5	-11.8	-179.2	-87	-76	-173.1	0	0	114.3	I14 R17 F22 I24	I14-M20 HydrophobicContact CG2-CE 4.31Å; R17-M20 PolarHBondContact O-N 2.76Å; M20-F22 PolarHBondContact O-N 3.46Å; M20-I24 HydrophobicContact CE-CD1 4Å; M20-I24 HydrophobicContact SD-CD1 3.46Å; M20-I24 WeakPolarHBondContact SD-CD1 3.47Å; M20-I24 HydrophobicContact SD-CG1 3.71Å
21	K	51.6	Low	66.6	Low	160 Å²	160	129.5 Å²	129.5	70%	0.696	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-61.8	-15.9	-178	-88.2	-173	173.9	-173.8	0	114.4
22	F	55.5	Low	67.2	Low	193 Å²	193	129.9 Å²	129.9	85%	0.846	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-124.6	-2.3	-170.9	-76.9	-78.5	0	0	0	116.4	M20	M20-F22 PolarHBondContact O-N 3.46Å
23	I	58	Low	68	Low	134 Å²	134	131.1 Å²	131.1	69%	0.687	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	-2.9	-165.9	-56.8	176.8	0	0	0	115.6	P25	I23-P25 WeakPolarHBondContact O-CD 3.14Å
24	I	59.5	Low	68.8	Low	80 Å²	80	127 Å²	127	41%	0.41	58%	0.577	S	S	.	*	S	Bend	trans	-97.9	105.3	165.1	-57.6	-179.7	0	0	0	107.8	M20 Y26 F28 I29	M20-I24 HydrophobicContact CE-CD1 4Å; M20-I24 HydrophobicContact SD-CD1 3.46Å; M20-I24 WeakPolarHBondContact SD-CD1 3.47Å; M20-I24 HydrophobicContact SD-CG1 3.71Å; I24-Y26 PolarHBondContact O-N 3.3Å; I24-F28 HydrophobicContact CG2-CB 3.87Å; I24-I29 HydrophobicContact CG2-CD1 4.22Å; I24-I29 HydrophobicContact CG2-CG1 3.79Å
25	P	66.5	Low	70	Confident	72 Å²	72	126.8 Å²	126.8	47%	0.468	58%	0.576	S	S	.	*			trans	-52.1	130.4	171.5	-21.1	28	0	0	0	108.5	I23 Y27 F28	I23-P25 WeakPolarHBondContact O-CD 3.14Å; P25-Y27 CarbonylContact O-C 3.58Å; P25-Y27 PolarHBondContact O-N 3.35Å; P25-F28 HydrophobicContact CB-CD2 4.11Å; P25-F28 HydrophobicContact CG-CD2 3.8Å; P25-F28 HydrophobicContact CG-CE2 4.1Å; P25-F28 PolarHBondContact O-N 3Å
26	Y	73.9	Confident	71.5	Confident	183 Å²	183	122.3 Å²	122.3	72%	0.718	57%	0.565	S	S	*	*	H	α-helix	trans	-40.7	-31.9	170.7	170.8	-97.4	0	0	0	112.9	I24 F28 I29 K30	I24-Y26 PolarHBondContact O-N 3.3Å; Y26-F28 PolarHBondContact O-N 3.19Å; Y26-I29 PolarHBondContact O-N 3.2Å; Y26-K30 HydrophobicContact CE1-CD 4.38Å; Y26-K30 PolarHBondContact O-N 3.28Å
27	Y	74.6	Confident	72.8	Confident	150 Å²	150	119.3 Å²	119.3	59%	0.588	55%	0.553	S	S	*	*	H	α-helix	trans	-52.2	-49	171	-174.3	-96.2	0	0	0	114.6	P25 I29 K30 Q31	P25-Y27 CarbonylContact O-C 3.58Å; P25-Y27 PolarHBondContact O-N 3.35Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.38Å; Y27-K30 PolarHBondContact O-N 3.34Å; Y27-Q31 VanDerWaalsContact CE1-OE1 3.3Å; Y27-Q31 WeakPolarHBondContact O-CB 3.41Å; Y27-Q31 PolarHBondContact O-N 3.16Å
28	F	78.9	Confident	74.2	Confident	126 Å²	126	115.3 Å²	115.3	55%	0.553	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-37.7	179.6	-83	-82.6	0	0	0	112	I24 P25 Y26 Q31 F32	I24-F28 HydrophobicContact CG2-CB 3.87Å; P25-F28 HydrophobicContact CB-CD2 4.11Å; P25-F28 HydrophobicContact CG-CD2 3.8Å; P25-F28 HydrophobicContact CG-CE2 4.1Å; P25-F28 PolarHBondContact O-N 3Å; Y26-F28 PolarHBondContact O-N 3.19Å; F28-Q31 PolarHBondContact O-N 3.27Å; F28-F32 VanDerWaalsContact O-CB 3.3Å; F28-F32 WeakPolarHBondContact O-CB 3.09Å; F28-F32 PolarHBondContact O-N 2.96Å
29	I	80.5	Confident	76.1	Confident	63 Å²	63	110.3 Å²	110.3	32%	0.323	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-48.1	175.4	-62.9	174.9	0	0	0	109.5	I24 Y26 Y27 Q31 F32 F33	I24-I29 HydrophobicContact CG2-CD1 4.22Å; I24-I29 HydrophobicContact CG2-CG1 3.79Å; Y26-I29 PolarHBondContact O-N 3.2Å; Y27-I29 VanDerWaalsContact C-N 3.33Å; Y27-I29 PolarHBondContact O-N 3.38Å; I29-Q31 PolarHBondContact O-N 3.27Å; I29-F32 PolarHBondContact O-N 2.99Å; I29-F33 HydrophobicContact CG2-CD2 3.68Å; I29-F33 HydrophobicContact CG2-CE2 3.66Å; I29-F33 VanDerWaalsContact O-CD2 3.27Å; I29-F33 WeakPolarHBondContact O-CD2 3.46Å; I29-F33 PolarHBondContact O-N 2.79Å
30	K	81.5	Confident	78.1	Confident	113 Å²	113	110.4 Å²	110.4	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-59.9	-43.6	178	-173.4	177.3	177.9	-179.1	0	112.2	Y26 Y27 F33 Q34	Y26-K30 HydrophobicContact CE1-CD 4.38Å; Y26-K30 PolarHBondContact O-N 3.28Å; Y27-K30 PolarHBondContact O-N 3.34Å; K30-F33 PolarHBondContact O-N 2.81Å; K30-Q34 PolarHBondContact O-N 3.28Å
31	Q	83.4	Confident	80.2	Confident	78 Å²	78	111.5 Å²	111.5	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-40.9	178.6	-165.1	173.4	10.1	0	0	111.6	Y27 F28 I29 Q34 I35	Y27-Q31 VanDerWaalsContact CE1-OE1 3.3Å; Y27-Q31 WeakPolarHBondContact O-CB 3.41Å; Y27-Q31 PolarHBondContact O-N 3.16Å; F28-Q31 PolarHBondContact O-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.27Å; Q31-Q34 PolarHBondContact O-N 3.36Å; Q31-I35 HydrophobicContact CG-CD1 4.3Å; Q31-I35 VanDerWaalsContact O-CG1 3.31Å; Q31-I35 WeakPolarHBondContact O-CG1 3.48Å; Q31-I35 PolarHBondContact O-N 2.63Å
32	F	86.1	Confident	82.3	Confident	115 Å²	115	108.9 Å²	108.9	50%	0.504	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-47	173.9	-178.5	-97.4	0	0	0	111.8	F28 I29 Q34 I35 C36	F28-F32 VanDerWaalsContact O-CB 3.3Å; F28-F32 WeakPolarHBondContact O-CB 3.09Å; F28-F32 PolarHBondContact O-N 2.96Å; I29-F32 PolarHBondContact O-N 2.99Å; F32-Q34 PolarHBondContact O-N 3.36Å; F32-I35 PolarHBondContact O-N 2.85Å; F32-C36 PolarHBondContact O-N 2.92Å; F32-C36 PolarHBondContact O-SG 3.03Å; F32-C36 VanDerWaalsContact O-SG 3.37Å
33	F	88.6	Confident	84.2	Confident	123 Å²	123	104.1 Å²	104.1	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-40.4	176.4	-87.6	-76	0	0	0	112.6	I29 K30 C36 I37	I29-F33 HydrophobicContact CG2-CD2 3.68Å; I29-F33 HydrophobicContact CG2-CE2 3.66Å; I29-F33 VanDerWaalsContact O-CD2 3.27Å; I29-F33 WeakPolarHBondContact O-CD2 3.46Å; I29-F33 PolarHBondContact O-N 2.79Å; K30-F33 PolarHBondContact O-N 2.81Å; F33-C36 PolarHBondContact O-N 3.06Å; F33-I37 VanDerWaalsContact O-CG1 3.29Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.04Å
34	Q	89.3	Confident	85.9	Confident	112 Å²	112	101.2 Å²	101.2	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-44.6	174.2	-83.5	179.1	-48.6	0	0	112.1	K30 Q31 F32 C36 I37 I38	K30-Q34 PolarHBondContact O-N 3.28Å; Q31-Q34 PolarHBondContact O-N 3.36Å; F32-Q34 PolarHBondContact O-N 3.36Å; Q34-C36 PolarHBondContact O-N 3.18Å; Q34-I37 PolarHBondContact O-N 2.93Å; Q34-I38 VanDerWaalsContact O-CG1 3.28Å; Q34-I38 WeakPolarHBondContact O-CG1 3.34Å; Q34-I38 PolarHBondContact O-N 3.4Å
35	I	92.2	Very high	87.6	Confident	86 Å²	86	101.8 Å²	101.8	44%	0.441	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.2	-67.8	164.9	0	0	0	110.6	Q31 F32 I37 I38 I39	Q31-I35 HydrophobicContact CG-CD1 4.3Å; Q31-I35 VanDerWaalsContact O-CG1 3.31Å; Q31-I35 WeakPolarHBondContact O-CG1 3.48Å; Q31-I35 PolarHBondContact O-N 2.63Å; F32-I35 PolarHBondContact O-N 2.85Å; I35-I37 VanDerWaalsContact C-N 3.35Å; I35-I37 PolarHBondContact O-N 2.82Å; I35-I38 PolarHBondContact O-N 3.22Å; I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.44Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.48Å
36	C	92.5	Very high	89	Confident	52 Å²	52	104.3 Å²	104.3	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-41.7	176.4	-70.3	0	0	0	0	112.6	F32 F33 Q34 I39 L40	F32-C36 PolarHBondContact O-N 2.92Å; F32-C36 PolarHBondContact O-SG 3.03Å; F32-C36 VanDerWaalsContact O-SG 3.37Å; F33-C36 PolarHBondContact O-N 3.06Å; Q34-C36 PolarHBondContact O-N 3.18Å; C36-I39 PolarHBondContact O-N 2.98Å; C36-L40 WeakPolarHBondContact O-CB 3.41Å; C36-L40 PolarHBondContact O-N 2.98Å
37	I	93.2	Very high	89.9	Confident	101 Å²	101	99.4 Å²	99.4	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.6	-70	165.7	0	0	0	110.6	F33 Q34 I35 L40 L41	F33-I37 VanDerWaalsContact O-CG1 3.29Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.04Å; Q34-I37 PolarHBondContact O-N 2.93Å; I35-I37 VanDerWaalsContact C-N 3.35Å; I35-I37 PolarHBondContact O-N 2.82Å; I37-L40 PolarHBondContact O-N 3.43Å; I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.36Å; I37-L41 WeakPolarHBondContact O-CG 3.09Å; I37-L41 PolarHBondContact O-N 3.27Å
38	I	94.2	Very high	90.8	Very high	96 Å²	96	96.8 Å²	96.8	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-61	-46.5	176.9	-68.5	164.4	0	0	0	110.7	Q34 I35 L40 L41 L42	Q34-I38 VanDerWaalsContact O-CG1 3.28Å; Q34-I38 WeakPolarHBondContact O-CG1 3.34Å; Q34-I38 PolarHBondContact O-N 3.4Å; I35-I38 PolarHBondContact O-N 3.22Å; I38-L40 VanDerWaalsContact C-N 3.29Å; I38-L40 PolarHBondContact O-N 3.1Å; I38-L41 PolarHBondContact O-N 3.27Å; I38-L42 HydrophobicContact CG2-CD1 3.97Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 WeakPolarHBondContact O-CB 3.15Å; I38-L42 VanDerWaalsContact O-CG 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 3.17Å
39	I	94.2	Very high	91.4	Very high	91 Å²	91	95.5 Å²	95.5	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176.7	-68.3	167.7	0	0	0	110.6	I35 C36 L42 N43	I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.44Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.48Å; C36-I39 PolarHBondContact O-N 2.98Å; I39-L42 PolarHBondContact O-N 3.42Å; I39-N43 PolarHBondContact O-N 3.27Å; I39-N43 PolarHBondContact O-ND2 3Å
40	L	94.8	Very high	91.8	Very high	117 Å²	117	96 Å²	96	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-65.3	-43.5	178.7	-158.3	119.1	0	0	0	111.5	C36 I37 I38 N43 V44	C36-L40 WeakPolarHBondContact O-CB 3.41Å; C36-L40 PolarHBondContact O-N 2.98Å; I37-L40 PolarHBondContact O-N 3.43Å; I38-L40 VanDerWaalsContact C-N 3.29Å; I38-L40 PolarHBondContact O-N 3.1Å; L40-N43 PolarHBondContact O-N 2.93Å; L40-V44 WeakPolarHBondContact O-CG2 3.44Å; L40-V44 PolarHBondContact O-N 3.33Å
41	L	95.4	Very high	92.2	Very high	97 Å²	97	96.7 Å²	96.7	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-42.6	175.8	-72.1	170	0	0	0	112.1	I37 I38 N43 V44 I45	I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.36Å; I37-L41 WeakPolarHBondContact O-CG 3.09Å; I37-L41 PolarHBondContact O-N 3.27Å; I38-L41 PolarHBondContact O-N 3.27Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.95Å; L41-V44 PolarHBondContact O-N 3.09Å; L41-I45 WeakPolarHBondContact O-CG1 3.19Å; L41-I45 PolarHBondContact O-N 2.8Å
42	L	95.6	Very high	92.4	Very high	105 Å²	105	97.5 Å²	97.5	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-40.3	175.5	-72.9	171.8	0	0	0	111.8	I38 I39 I45 F46	I38-L42 HydrophobicContact CG2-CD1 3.97Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 WeakPolarHBondContact O-CB 3.15Å; I38-L42 VanDerWaalsContact O-CG 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 3.17Å; I39-L42 PolarHBondContact O-N 3.42Å; L42-I45 PolarHBondContact O-N 2.98Å; L42-F46 WeakPolarHBondContact O-CB 3.5Å; L42-F46 PolarHBondContact O-N 2.65Å
43	N	94.6	Very high	92.1	Very high	92 Å²	92	97.4 Å²	97.4	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-38.7	175	-77.3	-61.9	0	0	0	112.2	I39 L40 L41 F46 C47	I39-N43 PolarHBondContact O-N 3.27Å; I39-N43 PolarHBondContact O-ND2 3Å; L40-N43 PolarHBondContact O-N 2.93Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.95Å; N43-F46 PolarHBondContact O-N 3.43Å; N43-C47 WeakPolarHBondContact O-CB 3.35Å; N43-C47 PolarHBondContact O-N 3.23Å; N43-C47 PolarHBondContact O-SG 3.16Å
44	V	95.4	Very high	91.4	Very high	74 Å²	74	94.9 Å²	94.9	45%	0.448	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-44.8	174.8	173.8	0	0	0	0	111	L40 L41 F46 C47 L48	L40-V44 WeakPolarHBondContact O-CG2 3.44Å; L40-V44 PolarHBondContact O-N 3.33Å; L41-V44 PolarHBondContact O-N 3.09Å; V44-F46 VanDerWaalsContact C-N 3.34Å; V44-F46 PolarHBondContact O-N 3.07Å; V44-C47 PolarHBondContact O-N 3.33Å; V44-L48 HydrophobicContact CG1-CD1 4.11Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.42Å
45	I	95.2	Very high	90.8	Very high	91 Å²	91	93.4 Å²	93.4	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-44.7	175.8	-68.5	166	0	0	0	110.6	L41 L42 C47 L48 I49	L41-I45 WeakPolarHBondContact O-CG1 3.19Å; L41-I45 PolarHBondContact O-N 2.8Å; L42-I45 PolarHBondContact O-N 2.98Å; I45-C47 PolarHBondContact O-N 3.47Å; I45-L48 PolarHBondContact O-N 3.14Å; I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 WeakPolarHBondContact O-CG1 3.25Å; I45-I49 PolarHBondContact O-N 3.44Å
46	F	94.7	Very high	89.8	Confident	126 Å²	126	92.8 Å²	92.8	55%	0.553	48%	0.482	S	S	*	.	H	α-helix	trans	-60.8	-43.5	176.8	-174.9	-107.5	0	0	0	112.1	L42 N43 V44 L48 I49 I50	L42-F46 WeakPolarHBondContact O-CB 3.5Å; L42-F46 PolarHBondContact O-N 2.65Å; N43-F46 PolarHBondContact O-N 3.43Å; V44-F46 VanDerWaalsContact C-N 3.34Å; V44-F46 PolarHBondContact O-N 3.07Å; F46-L48 PolarHBondContact O-N 2.87Å; F46-I49 PolarHBondContact O-N 3.15Å; F46-I50 HydrophobicContact CD1-CD1 3.73Å; F46-I50 HydrophobicContact CE1-CD1 3.35Å; F46-I50 HydrophobicContact CE1-CG1 4.43Å; F46-I50 HydrophobicContact CE2-CD1 4.48Å; F46-I50 HydrophobicContact CG-CD1 4.45Å; F46-I50 HydrophobicContact CZ-CD1 3.77Å; F46-I50 WeakPolarHBondContact O-CG1 3.12Å; F46-I50 PolarHBondContact O-N 3.23Å
47	C	93.3	Very high	88.3	Confident	80 Å²	80	94.2 Å²	94.2	54%	0.541	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-39.9	173.4	-74	0	0	0	0	112.7	N43 V44 I45 I50 F51	N43-C47 WeakPolarHBondContact O-CB 3.35Å; N43-C47 PolarHBondContact O-N 3.23Å; N43-C47 PolarHBondContact O-SG 3.16Å; V44-C47 PolarHBondContact O-N 3.33Å; I45-C47 PolarHBondContact O-N 3.47Å; C47-I50 PolarHBondContact O-N 2.74Å; C47-F51 WeakPolarHBondContact O-CB 3.3Å; C47-F51 PolarHBondContact O-N 3.23Å
48	L	93.5	Very high	86.5	Confident	94 Å²	94	93 Å²	93	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175.8	-73.9	170	0	0	0	111.6	V44 I45 F46 F51 I52	V44-L48 HydrophobicContact CG1-CD1 4.11Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.42Å; I45-L48 PolarHBondContact O-N 3.14Å; F46-L48 PolarHBondContact O-N 2.87Å; L48-F51 PolarHBondContact O-N 2.95Å; L48-I52 WeakPolarHBondContact O-CB 3.35Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.45Å; L48-I52 PolarHBondContact O-N 3.2Å
49	I	92.1	Very high	84.7	Confident	100 Å²	100	91.6 Å²	91.6	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-46	174.7	-68.9	166.4	0	0	0	110.3	I45 F46 F51 I52 H53	I45-I49 HydrophobicContact CG2-CD1 3.9Å; I45-I49 HydrophobicContact CG2-CG1 4.45Å; I45-I49 WeakPolarHBondContact O-CG1 3.25Å; I45-I49 PolarHBondContact O-N 3.44Å; F46-I49 PolarHBondContact O-N 3.15Å; I49-F51 VanDerWaalsContact C-N 3.31Å; I49-F51 PolarHBondContact O-N 3.19Å; I49-I52 PolarHBondContact O-N 2.9Å; I49-H53 VanDerWaalsContact O-CB 3.31Å; I49-H53 WeakPolarHBondContact O-CB 3.37Å; I49-H53 PolarHBondContact O-N 3.2Å
50	I	89.1	Confident	82.6	Confident	74 Å²	74	91.7 Å²	91.7	38%	0.379	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-41.3	175.7	-70	169.1	0	0	0	111	F46 C47 H53 N54	F46-I50 HydrophobicContact CD1-CD1 3.73Å; F46-I50 HydrophobicContact CE1-CD1 3.35Å; F46-I50 HydrophobicContact CE1-CG1 4.43Å; F46-I50 HydrophobicContact CE2-CD1 4.48Å; F46-I50 HydrophobicContact CG-CD1 4.45Å; F46-I50 HydrophobicContact CZ-CD1 3.77Å; F46-I50 WeakPolarHBondContact O-CG1 3.12Å; F46-I50 PolarHBondContact O-N 3.23Å; C47-I50 PolarHBondContact O-N 2.74Å; I50-H53 PolarHBondContact O-N 3.45Å; I50-N54 WeakPolarHBondContact CG2-ND2 3.14Å; I50-N54 WeakPolarHBondContact O-CB 3.29Å; I50-N54 PolarHBondContact O-N 3.27Å; I50-N54 PolarHBondContact O-ND2 3.03Å
51	F	89.4	Confident	80.4	Confident	127 Å²	127	90.1 Å²	90.1	56%	0.557	47%	0.468	S	S	*	.	H	α-helix	trans	-65.7	-45.9	178.9	-175.3	-105.1	0	0	0	111.9	C47 L48 I49 N54 I55	C47-F51 WeakPolarHBondContact O-CB 3.3Å; C47-F51 PolarHBondContact O-N 3.23Å; L48-F51 PolarHBondContact O-N 2.95Å; I49-F51 VanDerWaalsContact C-N 3.31Å; I49-F51 PolarHBondContact O-N 3.19Å; F51-N54 PolarHBondContact O-N 3.44Å; F51-I55 HydrophobicContact CD1-CD1 3.76Å; F51-I55 HydrophobicContact CE1-CD1 3.25Å; F51-I55 HydrophobicContact CE1-CG1 4.3Å; F51-I55 HydrophobicContact CE2-CD1 4.4Å; F51-I55 HydrophobicContact CZ-CD1 3.62Å; F51-I55 HydrophobicContact CZ-CG1 4.41Å; F51-I55 WeakPolarHBondContact O-CG1 3.23Å; F51-I55 PolarHBondContact O-N 3.35Å
52	I	86.7	Confident	77.7	Confident	95 Å²	95	91.1 Å²	91.1	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-62.1	-43.7	175.5	-68.9	166	0	0	0	110.4	L48 I49 N54 I55 I56	L48-I52 WeakPolarHBondContact O-CB 3.35Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.45Å; L48-I52 PolarHBondContact O-N 3.2Å; I49-I52 PolarHBondContact O-N 2.9Å; I52-N54 VanDerWaalsContact C-N 3.35Å; I52-N54 PolarHBondContact O-N 2.87Å; I52-I55 PolarHBondContact O-N 3.31Å; I52-I56 HydrophobicContact CG2-CD1 3.68Å; I52-I56 HydrophobicContact CG2-CG1 4.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.36Å
53	H	80.1	Confident	74.7	Confident	113 Å²	113	94.5 Å²	94.5	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-44	177.7	-162.4	58.1	0	0	0	111.5	I49 I50 I55 I56 D57	I49-H53 VanDerWaalsContact O-CB 3.31Å; I49-H53 WeakPolarHBondContact O-CB 3.37Å; I49-H53 PolarHBondContact O-N 3.2Å; I50-H53 PolarHBondContact O-N 3.45Å; H53-I55 VanDerWaalsContact C-N 3.34Å; H53-I55 PolarHBondContact O-N 3.1Å; H53-I56 PolarHBondContact O-N 3.07Å; H53-D57 IonicContact CD2-OD2 2.73Å; H53-D57 PolarHBondContact O-N 3.24Å
54	N	74.5	Confident	71.9	Confident	69 Å²	69	97.7 Å²	97.7	37%	0.369	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-35.8	174.7	-77.1	-51.2	0	0	0	113.1	I50 F51 I52 L58	I50-N54 WeakPolarHBondContact CG2-ND2 3.14Å; I50-N54 WeakPolarHBondContact O-CB 3.29Å; I50-N54 PolarHBondContact O-N 3.27Å; I50-N54 PolarHBondContact O-ND2 3.03Å; F51-N54 PolarHBondContact O-N 3.44Å; I52-N54 VanDerWaalsContact C-N 3.35Å; I52-N54 PolarHBondContact O-N 2.87Å; N54-L58 WeakPolarHBondContact O-CD1 3.06Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 VanDerWaalsContact O-N 3.17Å
55	I	75.4	Confident	68.9	Low	81 Å²	81	98.6 Å²	98.6	42%	0.415	50%	0.499	S	S	.	.	H	α-helix	trans	-68.7	-42	174.8	-73.8	176.9	0	0	0	111.1	F51 I52 H53 L58 S59	F51-I55 HydrophobicContact CD1-CD1 3.76Å; F51-I55 HydrophobicContact CE1-CD1 3.25Å; F51-I55 HydrophobicContact CE1-CG1 4.3Å; F51-I55 HydrophobicContact CE2-CD1 4.4Å; F51-I55 HydrophobicContact CZ-CD1 3.62Å; F51-I55 HydrophobicContact CZ-CG1 4.41Å; F51-I55 WeakPolarHBondContact O-CG1 3.23Å; F51-I55 PolarHBondContact O-N 3.35Å; I52-I55 PolarHBondContact O-N 3.31Å; H53-I55 VanDerWaalsContact C-N 3.34Å; H53-I55 PolarHBondContact O-N 3.1Å; I55-L58 WeakPolarHBondContact O-CB 3.39Å; I55-L58 PolarHBondContact O-N 3.39Å; I55-S59 PolarHBondContact O-N 3.29Å; I55-S59 PolarHBondContact O-OG 3.08Å
56	I	72.4	Confident	65.8	Low	74 Å²	74	102.6 Å²	102.6	38%	0.379	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-41.8	178.1	-69.4	168.9	0	0	0	110.5	I52 H53 L58 S59 I60	I52-I56 HydrophobicContact CG2-CD1 3.68Å; I52-I56 HydrophobicContact CG2-CG1 4.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.36Å; H53-I56 PolarHBondContact O-N 3.07Å; I56-L58 PolarHBondContact O-N 3.29Å; I56-S59 WeakPolarHBondContact CA-OG 3.4Å; I56-S59 PolarHBondContact O-N 2.91Å; I56-S59 PolarHBondContact O-OG 2.88Å; I56-S59 VanDerWaalsContact O-OG 3.1Å; I56-I60 HydrophobicContact CG2-CD1 3.52Å; I56-I60 HydrophobicContact CG2-CG1 4.14Å; I56-I60 WeakPolarHBondContact O-CB 3.04Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 3.21Å
57	D	61.7	Low	62.7	Low	82 Å²	82	103.4 Å²	103.4	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-34.8	174.4	-74.5	-22.3	0	0	0	111.8	H53	H53-D57 IonicContact CD2-OD2 2.73Å; H53-D57 PolarHBondContact O-N 3.24Å
58	L	55.3	Low	59.8	Low	76 Å²	76	106.4 Å²	106.4	40%	0.398	54%	0.535	S	S	.	.	H	α-helix	trans	-70	-38.7	173.7	-90.2	156.1	0	0	0	113	N54 I55 I56	N54-L58 WeakPolarHBondContact O-CD1 3.06Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 VanDerWaalsContact O-N 3.17Å; I55-L58 WeakPolarHBondContact O-CB 3.39Å; I55-L58 PolarHBondContact O-N 3.39Å; I56-L58 PolarHBondContact O-N 3.29Å
59	S	54.5	Low	56.8	Low	66 Å²	66	109 Å²	109	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-78.4	-32.3	-178.8	64.9	0	0	0	0	113	I55 I56 E61 Y62	I55-S59 PolarHBondContact O-N 3.29Å; I55-S59 PolarHBondContact O-OG 3.08Å; I56-S59 WeakPolarHBondContact CA-OG 3.4Å; I56-S59 PolarHBondContact O-N 2.91Å; I56-S59 PolarHBondContact O-OG 2.88Å; I56-S59 VanDerWaalsContact O-OG 3.1Å; S59-E61 PolarHBondContact O-N 3.38Å; S59-Y62 CarbonylContact O-C 3.59Å; S59-Y62 PolarHBondContact O-N 3.41Å; S59-Y62 VanDerWaalsContact O-N 3.13Å
60	I	50.8	Low	53.7	Low	93 Å²	93	113.5 Å²	113.5	48%	0.477	57%	0.567	S	S	.	*	H	α-helix	trans	-67.1	-23.7	175.5	-67.7	170.4	0	0	0	111.6	I56 Y62	I56-I60 HydrophobicContact CG2-CD1 3.52Å; I56-I60 HydrophobicContact CG2-CG1 4.14Å; I56-I60 WeakPolarHBondContact O-CB 3.04Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 3.21Å; I60-Y62 VanDerWaalsContact C-N 3.3Å
61	E	48.2	Very low	51	Low	83 Å²	83	118.8 Å²	118.8	39%	0.388	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-10.7	175.6	-128.9	162.7	-150.9	0	0	113.4	S59 W294	S59-E61 PolarHBondContact O-N 3.38Å; E61-W294 HydrophobicContact CG-CH2 4.45Å
62	Y	38.6	Very low	48.3	Very low	119 Å²	119	117.7 Å²	117.7	47%	0.467	60%	0.596	S	S	.	*			trans	-133.9	81.3	-177.1	-87.2	-92.3	0	0	0	112.3	S59 I60	S59-Y62 CarbonylContact O-C 3.59Å; S59-Y62 PolarHBondContact O-N 3.41Å; S59-Y62 VanDerWaalsContact O-N 3.13Å; I60-Y62 VanDerWaalsContact C-N 3.3Å
63	E	33.2	Very low	45.8	Very low	175 Å²	175	118 Å²	118	82%	0.818	61%	0.607	S	S	*	*			trans	-99.2	94.7	143.4	-85.7	-175.1	168.1	0	0	107.3
64	E	35.8	Very low	43.7	Very low	159 Å²	159	121.3 Å²	121.3	74%	0.743	62%	0.622	S	S	*	*			trans	-67.2	126.1	162.9	-153.9	175.9	-164.6	0	0	107	E66	E64-E66 PolarHBondContact O-N 2.89Å
65	P	32.2	Very low	42.2	Very low	94 Å²	94	122.2 Å²	122.2	61%	0.61	63%	0.63	S	S	*	*			trans	-65.1	105.7	177.9	23.4	-30.1	0	0	0	109.2
66	E	30.6	Very low	40.6	Very low	175 Å²	175	122.6 Å²	122.6	82%	0.818	64%	0.636	S	S	*	*			trans	-49.6	140.3	168.3	-82.1	-176.4	157.7	0	0	110.8	E64	E64-E66 PolarHBondContact O-N 2.89Å
67	N	29	Very low	39.7	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	66%	0.655	S	S	*	*			trans	79.3	88.4	167.6	-59.1	-46.4	0	0	0	118.1
68	I	33.1	Very low	39.6	Very low	143 Å²	143	130.3 Å²	130.3	73%	0.733	67%	0.665	S	S	*	*			trans	-128.7	85.1	137.9	-56.1	-179	0	0	0	109.4
69	L	30.3	Very low	39.9	Very low	150 Å²	150	129.6 Å²	129.6	79%	0.785	66%	0.662	S	S	*	*			trans	30.7	112	143.9	-71.4	157.7	0	0	0	118.2	F71	L69-F71 PolarHBondContact O-N 3.5Å
70	E	26.9	Very low	40.1	Very low	194 Å²	194	130.4 Å²	130.4	91%	0.907	66%	0.661	S	S	*	*			trans	-43.6	122.3	160.4	-71.1	174.7	145.2	0	0	112	S72	E70-S72 PolarHBondContact O-N 3.23Å
71	F	32.4	Very low	40.7	Very low	184 Å²	184	132.5 Å²	132.5	81%	0.807	67%	0.666	S	S	*	*			trans	-81.3	95.2	166.8	-102.7	-92.6	0	0	0	108.2	L69	L69-F71 PolarHBondContact O-N 3.5Å
72	S	32	Very low	41.5	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	68%	0.681	S	S	*	*			trans	-73.9	139.2	168.2	71.3	0	0	0	0	110.8	E70 H74	E70-S72 PolarHBondContact O-N 3.23Å; S72-H74 PolarHBondContact O-N 2.99Å
73	S	34.1	Very low	42.9	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	68%	0.679	S	S	*	*	S	Bend	trans	-97.8	69.5	-168.2	50.4	0	0	0	0	112.3
74	H	36.2	Very low	44.4	Very low	182 Å²	182	132.4 Å²	132.4	84%	0.843	67%	0.669	S	S	*	*			trans	-150.2	96.7	159.7	-74.6	-65	0	0	0	109.5	S72	S72-H74 PolarHBondContact O-N 2.99Å
75	T	42.6	Very low	46	Very low	87 Å²	87	129.2 Å²	129.2	53%	0.534	66%	0.658	S	S	.	*			trans	-116.4	122	177.6	53.3	0	0	0	0	111	D79	T75-D79 WeakPolarHBondContact CA-OD2 3.37Å; T75-D79 HydrophobicContact CG2-CB 4.07Å
76	T	42.6	Very low	47.6	Very low	90 Å²	90	131.3 Å²	131.3	55%	0.552	66%	0.657	S	S	*	*			trans	-82.6	170.3	173.7	63.1	0	0	0	0	111.8	N78 D79 N80	T76-N78 PolarHBondContact O-N 3.15Å; T76-D79 PolarHBondContact N-OD2 3.02Å; T76-D79 WeakPolarHBondContact O-CA 3.3Å; T76-D79 VanDerWaalsContact O-CB 3.28Å; T76-D79 WeakPolarHBondContact O-CB 3.41Å; T76-D79 PolarHBondContact O-N 3.14Å; T76-D79 PolarHBondContact OG1-OD2 2.89Å; T76-N80 PolarHBondContact O-N 2.78Å
77	Y	53.6	Low	49	Very low	195 Å²	195	127.1 Å²	127.1	77%	0.765	64%	0.64	S	S	*	*	H	α-helix	trans	-55.4	-34.7	179.7	-179.1	-98.5	0	0	0	113.8	D79 N80 K81	Y77-D79 VanDerWaalsContact C-N 3.33Å; Y77-D79 PolarHBondContact O-N 3.17Å; Y77-N80 PolarHBondContact O-N 3.06Å; Y77-K81 PolarHBondContact O-N 2.72Å
78	N	60.2	Low	50.4	Low	122 Å²	122	126.6 Å²	126.6	65%	0.652	63%	0.631	S	S	*	*	H	α-helix	trans	-67.9	-32.3	174.2	-81.9	-20.4	0	0	0	112.6	T76 N80 K81 K82	T76-N78 PolarHBondContact O-N 3.15Å; N78-N80 VanDerWaalsContact C-N 3.33Å; N78-K81 PolarHBondContact O-N 3.4Å; N78-K82 WeakPolarHBondContact O-CB 3.38Å; N78-K82 PolarHBondContact O-N 3.45Å
79	D	61	Low	51.4	Low	61 Å²	61	127.1 Å²	127.1	33%	0.326	63%	0.625	S	S	.	*	H	α-helix	trans	-67.7	-35.3	174.9	-60.3	-47	0	0	0	111.3	T75 T76 Y77 K82 K83	T75-D79 WeakPolarHBondContact CA-OD2 3.37Å; T75-D79 HydrophobicContact CG2-CB 4.07Å; T76-D79 PolarHBondContact N-OD2 3.02Å; T76-D79 WeakPolarHBondContact O-CA 3.3Å; T76-D79 VanDerWaalsContact O-CB 3.28Å; T76-D79 WeakPolarHBondContact O-CB 3.41Å; T76-D79 PolarHBondContact O-N 3.14Å; T76-D79 PolarHBondContact OG1-OD2 2.89Å; Y77-D79 VanDerWaalsContact C-N 3.33Å; Y77-D79 PolarHBondContact O-N 3.17Å; D79-K82 PolarHBondContact O-N 2.97Å; D79-K83 WeakPolarHBondContact O-CB 3.15Å; D79-K83 PolarHBondContact O-N 3.34Å
80	N	59.7	Low	52.3	Low	84 Å²	84	124.8 Å²	124.8	45%	0.449	61%	0.611	S	S	.	*	H	α-helix	trans	-65	-42.5	175.7	-74.8	-27.2	0	0	0	112.3	T76 Y77 N78 K83 L84	T76-N80 PolarHBondContact O-N 2.78Å; Y77-N80 PolarHBondContact O-N 3.06Å; N78-N80 VanDerWaalsContact C-N 3.33Å; N80-K83 PolarHBondContact O-N 3.17Å; N80-L84 WeakPolarHBondContact O-CB 3.37Å; N80-L84 PolarHBondContact O-N 2.95Å
81	K	63.5	Low	53.5	Low	136 Å²	136	122.4 Å²	122.4	59%	0.591	60%	0.598	S	S	*	*	H	α-helix	trans	-66.6	-41	176.3	-166.7	173.7	-176	175.8	0	111.7	Y77 N78 L84 N85	Y77-K81 PolarHBondContact O-N 2.72Å; N78-K81 PolarHBondContact O-N 3.4Å; K81-L84 PolarHBondContact O-N 3.24Å; K81-N85 WeakPolarHBondContact O-CB 3.48Å; K81-N85 PolarHBondContact O-N 3.26Å
82	K	63.6	Low	54.3	Low	160 Å²	160	118.9 Å²	118.9	70%	0.696	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-38.7	175.4	-155.5	174	-173.6	177.5	0	111.6	N78 D79 K86	N78-K82 WeakPolarHBondContact O-CB 3.38Å; N78-K82 PolarHBondContact O-N 3.45Å; D79-K82 PolarHBondContact O-N 2.97Å; K82-K86 VanDerWaalsContact O-CB 3.24Å; K82-K86 WeakPolarHBondContact O-CB 3.42Å; K82-K86 PolarHBondContact O-N 3.15Å
83	K	67.7	Low	55.1	Low	99 Å²	99	116.3 Å²	116.3	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-66.9	-41.5	174.9	-167.7	174.7	-174.2	177.4	0	111.8	D79 N80 K86 L87	D79-K83 WeakPolarHBondContact O-CB 3.15Å; D79-K83 PolarHBondContact O-N 3.34Å; N80-K83 PolarHBondContact O-N 3.17Å; K83-K86 PolarHBondContact O-N 2.8Å; K83-L87 HydrophobicContact CG-CD1 4.22Å; K83-L87 WeakPolarHBondContact O-CB 3.46Å; K83-L87 WeakPolarHBondContact O-CD1 3.38Å; K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 2.89Å
84	L	66.4	Low	56	Low	116 Å²	116	116.9 Å²	116.9	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-66.1	-44.9	176.2	-166.2	75.7	0	0	0	111.6	N80 K81 K86 L87 K88	N80-L84 WeakPolarHBondContact O-CB 3.37Å; N80-L84 PolarHBondContact O-N 2.95Å; K81-L84 PolarHBondContact O-N 3.24Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.21Å; L84-L87 WeakPolarHBondContact O-CB 3.46Å; L84-L87 PolarHBondContact O-N 3.26Å; L84-K88 WeakPolarHBondContact O-CB 3.26Å; L84-K88 PolarHBondContact O-N 3.49Å
85	N	68.8	Low	56.6	Low	93 Å²	93	113.6 Å²	113.6	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-39.9	175.2	-74.2	-9.6	0	0	0	111.6	K81 K88 Y89	K81-N85 WeakPolarHBondContact O-CB 3.48Å; K81-N85 PolarHBondContact O-N 3.26Å; N85-K88 PolarHBondContact O-N 2.98Å; N85-Y89 VanDerWaalsContact O-CB 3.26Å; N85-Y89 WeakPolarHBondContact O-CB 3.36Å; N85-Y89 PolarHBondContact O-N 3.02Å
86	K	65.1	Low	57.1	Low	138 Å²	138	117.8 Å²	117.8	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-64.3	-42.5	173.3	-171.7	175.2	-179.3	178.9	0	111.5	K82 K83 L84 M90	K82-K86 VanDerWaalsContact O-CB 3.24Å; K82-K86 WeakPolarHBondContact O-CB 3.42Å; K82-K86 PolarHBondContact O-N 3.15Å; K83-K86 PolarHBondContact O-N 2.8Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.21Å; K86-M90 HydrophobicContact CG-CG 4.3Å; K86-M90 HydrophobicContact CG-SD 3.92Å; K86-M90 WeakPolarHBondContact O-CB 3.2Å; K86-M90 WeakPolarHBondContact O-CG 3.44Å; K86-M90 PolarHBondContact O-N 2.81Å
87	L	61.3	Low	57.8	Low	87 Å²	87	117.1 Å²	117.1	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-42	174.5	-86.4	156.3	0	0	0	111.9	K83 L84 M90 K91	K83-L87 HydrophobicContact CG-CD1 4.22Å; K83-L87 WeakPolarHBondContact O-CB 3.46Å; K83-L87 WeakPolarHBondContact O-CD1 3.38Å; K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 2.89Å; L84-L87 WeakPolarHBondContact O-CB 3.46Å; L84-L87 PolarHBondContact O-N 3.26Å; L87-M90 PolarHBondContact O-N 3Å; L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.07Å
88	K	57.6	Low	58.4	Low	130 Å²	130	108.1 Å²	108.1	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-66.8	-48.1	178	-161.4	178.2	-179.9	-176.5	0	111.2	L84 N85 M90 K91 E92	L84-K88 WeakPolarHBondContact O-CB 3.26Å; L84-K88 PolarHBondContact O-N 3.49Å; N85-K88 PolarHBondContact O-N 2.98Å; K88-M90 VanDerWaalsContact C-N 3.34Å; K88-M90 PolarHBondContact O-N 3.23Å; K88-K91 PolarHBondContact O-N 3.21Å; K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 WeakPolarHBondContact O-CB 3.4Å; K88-E92 WeakPolarHBondContact O-CG 3.32Å; K88-E92 PolarHBondContact O-N 2.96Å
89	Y	54	Low	59.4	Low	155 Å²	155	106.4 Å²	106.4	61%	0.608	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-38.4	173.5	-176.4	-97.5	0	0	0	112.7	N85 N93	N85-Y89 VanDerWaalsContact O-CB 3.26Å; N85-Y89 WeakPolarHBondContact O-CB 3.36Å; N85-Y89 PolarHBondContact O-N 3.02Å; Y89-N93 WeakPolarHBondContact CD1-ND2 3.44Å; Y89-N93 WeakPolarHBondContact CD2-ND2 3.34Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.47Å; Y89-N93 WeakPolarHBondContact CE2-ND2 3.4Å; Y89-N93 WeakPolarHBondContact O-CB 3.45Å; Y89-N93 PolarHBondContact O-N 3.34Å; Y89-N93 PolarHBondContact O-ND2 3.37Å; Y89-N93 VanDerWaalsContact O-ND2 3.09Å; Y89-N93 PolarHBondContact OH-ND2 2.76Å
90	M	49.2	Very low	60.9	Low	101 Å²	101	107.2 Å²	107.2	50%	0.498	50%	0.496	S	S	.	.	H	α-helix	trans	-67.4	-40.6	175.1	-77	178.1	96.6	0	0	111.2	K86 L87 K88 H94	K86-M90 HydrophobicContact CG-CG 4.3Å; K86-M90 HydrophobicContact CG-SD 3.92Å; K86-M90 WeakPolarHBondContact O-CB 3.2Å; K86-M90 WeakPolarHBondContact O-CG 3.44Å; K86-M90 PolarHBondContact O-N 2.81Å; L87-M90 PolarHBondContact O-N 3Å; K88-M90 VanDerWaalsContact C-N 3.34Å; K88-M90 PolarHBondContact O-N 3.23Å; M90-H94 WeakPolarHBondContact O-CA 3.34Å; M90-H94 WeakPolarHBondContact O-CB 3.44Å; M90-H94 PolarHBondContact O-N 3.19Å
91	K	52.3	Low	62.5	Low	144 Å²	144	104.4 Å²	104.4	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-64.6	-47.4	174.4	-79.1	-179.1	176.7	-174.2	0	111.8	L87 K88 N93 H94 H95	L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.07Å; K88-K91 PolarHBondContact O-N 3.21Å; K91-N93 PolarHBondContact O-N 3.25Å; K91-H94 PolarHBondContact O-N 3.23Å; K91-H95 PolarHBondContact O-CD2 3.38Å; K91-H95 PolarHBondContact O-N 3.46Å
92	E	48.7	Very low	64	Low	110 Å²	110	98.8 Å²	98.8	51%	0.514	45%	0.454	S	S	.	.	H	α-helix	trans	-63.2	-40.6	179.6	-73.3	170.2	-172	0	0	112.1	K88	K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 WeakPolarHBondContact O-CB 3.4Å; K88-E92 WeakPolarHBondContact O-CG 3.32Å; K88-E92 PolarHBondContact O-N 2.96Å
93	N	48.1	Very low	65.5	Low	50 Å²	50	94.3 Å²	94.3	27%	0.267	44%	0.436	S	S	.	.	H	α-helix	trans	-82	-21.1	175.3	-74.2	-54.8	0	0	0	114.5	Y89 K91 N97	Y89-N93 WeakPolarHBondContact CD1-ND2 3.44Å; Y89-N93 WeakPolarHBondContact CD2-ND2 3.34Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.47Å; Y89-N93 WeakPolarHBondContact CE2-ND2 3.4Å; Y89-N93 WeakPolarHBondContact O-CB 3.45Å; Y89-N93 PolarHBondContact O-N 3.34Å; Y89-N93 PolarHBondContact O-ND2 3.37Å; Y89-N93 VanDerWaalsContact O-ND2 3.09Å; Y89-N93 PolarHBondContact OH-ND2 2.76Å; K91-N93 PolarHBondContact O-N 3.25Å; N93-N97 WeakPolarHBondContact O-CB 3.17Å; N93-N97 PolarHBondContact O-N 3.27Å; N93-N97 PolarHBondContact O-ND2 3.02Å
94	H	52.9	Low	66.8	Low	114 Å²	114	93.5 Å²	93.5	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-47.9	171	-121.2	-84.6	0	0	0	109.8	M90 K91 K96 N97 S98	M90-H94 WeakPolarHBondContact O-CA 3.34Å; M90-H94 WeakPolarHBondContact O-CB 3.44Å; M90-H94 PolarHBondContact O-N 3.19Å; K91-H94 PolarHBondContact O-N 3.23Å; H94-K96 VanDerWaalsContact C-N 3.33Å; H94-K96 PolarHBondContact O-N 3.2Å; H94-N97 CarbonylContact O-C 3.51Å; H94-N97 PolarHBondContact O-N 3.32Å; H94-S98 WeakPolarHBondContact O-CB 3.36Å; H94-S98 PolarHBondContact O-N 3.4Å; H94-S98 PolarHBondContact O-OG 3.24Å
95	H	49.7	Very low	68.2	Low	114 Å²	114	88.2 Å²	88.2	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-39.3	178.9	-80.4	-66.9	0	0	0	112.8	K91 N97 S98	K91-H95 PolarHBondContact O-CD2 3.38Å; K91-H95 PolarHBondContact O-N 3.46Å; H95-N97 VanDerWaalsContact C-N 3.26Å; H95-N97 PolarHBondContact O-N 2.6Å; H95-S98 PolarHBondContact O-OG 2.89Å
96	K	52.1	Low	69.4	Low	174 Å²	174	88.8 Å²	88.8	76%	0.757	40%	0.401	S	S	*	.	H	α-helix	trans	-66.9	-24.4	173.8	-79.1	-176.4	177.3	177.5	0	113.7	H94	H94-K96 VanDerWaalsContact C-N 3.33Å; H94-K96 PolarHBondContact O-N 3.2Å
97	N	57.4	Low	70.9	Confident	76 Å²	76	83.9 Å²	83.9	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-98	-23.1	-179.1	-84.9	-66.5	0	0	0	114.3	N93 H94 H95 E99 K100	N93-N97 WeakPolarHBondContact O-CB 3.17Å; N93-N97 PolarHBondContact O-N 3.27Å; N93-N97 PolarHBondContact O-ND2 3.02Å; H94-N97 CarbonylContact O-C 3.51Å; H94-N97 PolarHBondContact O-N 3.32Å; H95-N97 VanDerWaalsContact C-N 3.26Å; H95-N97 PolarHBondContact O-N 2.6Å; N97-E99 PolarHBondContact O-N 3.2Å; N97-K100 WeakPolarHBondContact O-CG 3.36Å; N97-K100 PolarHBondContact O-N 2.86Å; N97-K100 PolarHBondContact OD1-NZ 3.13Å
98	S	66.1	Low	72.3	Confident	7 Å²	7	86.1 Å²	86.1	5%	0.049	40%	0.4	C	S	.	.	S	Bend	trans	-72.6	-13.3	-170.5	60.7	0	0	0	0	113.9	H94 H95 D347 K348	H94-S98 WeakPolarHBondContact O-CB 3.36Å; H94-S98 PolarHBondContact O-N 3.4Å; H94-S98 PolarHBondContact O-OG 3.24Å; H95-S98 PolarHBondContact O-OG 2.89Å; S98-D347 VanDerWaalsContact CA-OD2 3.25Å; S98-D347 WeakPolarHBondContact CA-OD2 3.29Å; S98-D347 CarbonylContact O-C 3.53Å; S98-K348 PolarHBondContact O-N 3.46Å
99	E	81.5	Confident	74	Confident	85 Å²	85	85.3 Å²	85.3	40%	0.397	40%	0.402	S	S	.	.	S	Bend	trans	-99.1	-24.2	-179	-52.8	-159	134.1	0	0	112.9	N97 Y101 Y102 E103 K348	N97-E99 PolarHBondContact O-N 3.2Å; E99-Y101 PolarHBondContact O-N 3.49Å; E99-Y102 PolarHBondContact O-N 3.25Å; E99-E103 HydrophobicContact CB-CG 4.16Å; E99-E103 WeakPolarHBondContact O-CG 3.47Å; E99-E103 PolarHBondContact O-N 3.4Å; E99-K348 HydrophobicContact CB-CD 4Å; E99-K348 HydrophobicContact CG-CD 3.88Å; E99-K348 IonicContact OE1-NZ 2.85Å; E99-K348 PolarHBondContact OE1-NZ 2.95Å; E99-K348 IonicContact OE2-NZ 2.69Å; E99-K348 PolarHBondContact OE2-NZ 3.1Å; E99-K348 VanDerWaalsContact OE2-NZ 3.16Å
100	K	92.2	Very high	75.9	Confident	78 Å²	78	81.4 Å²	81.4	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-57.7	-33.1	-166.6	77	-170	173.5	-171.8	0	113.5	N97 Y104 F303	N97-K100 WeakPolarHBondContact O-CG 3.36Å; N97-K100 PolarHBondContact O-N 2.86Å; N97-K100 PolarHBondContact OD1-NZ 3.13Å; K100-Y104 PolarHBondContact O-N 3.03Å; K100-F303 HydrophobicContact CB-CE1 4.41Å; K100-F303 HydrophobicContact CD-CD1 4.33Å; K100-F303 HydrophobicContact CD-CE1 4.07Å; K100-F303 HydrophobicContact CG-CD1 4.44Å; K100-F303 HydrophobicContact CG-CE1 3.87Å; K100-F303 HydrophobicContact CG-CZ 4.27Å; K100-F303 WeakPolarHBondContact O-CZ 3.49Å
101	Y	94.6	Very high	78.1	Confident	26 Å²	26	77.7 Å²	77.7	10%	0.102	38%	0.376	C	S	.	.	H	α-helix	trans	-68	-52.7	178.7	-55.5	-73.4	0	0	0	110.3	E99 E103 Y104 F105 Y301 F303 Y305 P307 D347	E99-Y101 PolarHBondContact O-N 3.49Å; Y101-E103 VanDerWaalsContact C-N 3.34Å; Y101-E103 PolarHBondContact O-N 2.71Å; Y101-Y104 WeakPolarHBondContact O-CB 3.49Å; Y101-Y104 PolarHBondContact O-N 2.92Å; Y101-F105 VanDerWaalsContact O-CD2 3.26Å; Y101-F105 WeakPolarHBondContact O-CD2 3.49Å; Y101-F105 PolarHBondContact O-N 2.87Å; Y101-Y301 HydrophobicContact CD1-CE2 4.38Å; Y101-Y301 WeakPolarHBondContact CD1-OH 3.37Å; Y101-Y301 WeakPolarHBondContact CE1-OH 3.17Å; Y101-F303 HydrophobicContact CD1-CB 4.27Å; Y101-F303 HydrophobicContact CD1-CD1 4.31Å; Y101-F303 AromaticContact CD1-CD2 3.47Å; Y101-F303 HydrophobicContact CD1-CD2 3.47Å; Y101-F303 VanDerWaalsContact CD1-CD2 3.47Å; Y101-F303 AromaticContact CD1-CE2 3.77Å; Y101-F303 HydrophobicContact CD1-CE2 3.77Å; Y101-F303 AromaticContact CD1-CG 3.76Å; Y101-F303 HydrophobicContact CD1-CG 3.76Å; Y101-F303 HydrophobicContact CD1-CZ 4.3Å; Y101-F303 HydrophobicContact CE1-CB 3.73Å; Y101-F303 HydrophobicContact CE1-CD1 4.15Å; Y101-F303 AromaticContact CE1-CD2 3.84Å; Y101-F303 HydrophobicContact CE1-CD2 3.84Å; Y101-F303 HydrophobicContact CE1-CE2 4.48Å; Y101-F303 AromaticContact CE1-CG 3.64Å; Y101-F303 HydrophobicContact CE1-CG 3.64Å; Y101-Y305 WeakPolarHBondContact CE1-O 3.34Å; Y101-P307 HydrophobicContact CD2-CB 4.08Å; Y101-P307 HydrophobicContact CD2-CG 4.08Å; Y101-P307 HydrophobicContact CE2-CB 3.97Å; Y101-P307 HydrophobicContact CE2-CG 4.31Å; Y101-P307 HydrophobicContact CG-CG 4.32Å; Y101-D347 VanDerWaalsContact CD2-OD2 3.23Å; Y101-D347 WeakPolarHBondContact CD2-OD2 3.36Å
102	Y	95.3	Very high	80	Confident	18 Å²	18	77.8 Å²	77.8	7%	0.071	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-42.3	179.3	-176.2	-95.1	0	0	0	111.3	E99 Y104 F105 K106 L328 I332 V345 K348	E99-Y102 PolarHBondContact O-N 3.25Å; Y102-Y104 PolarHBondContact O-N 2.91Å; Y102-F105 CarbonylContact O-C 3.51Å; Y102-F105 PolarHBondContact O-N 3.15Å; Y102-K106 HydrophobicContact CD1-CB 4.34Å; Y102-K106 HydrophobicContact CE1-CB 3.93Å; Y102-K106 PolarHBondContact O-N 2.85Å; Y102-L328 HydrophobicContact CE1-CD2 4.2Å; Y102-L328 HydrophobicContact CE2-CB 3.74Å; Y102-L328 HydrophobicContact CE2-CD2 4.28Å; Y102-L328 HydrophobicContact CE2-CG 4.4Å; Y102-L328 WeakPolarHBondContact OH-CD2 3.41Å; Y102-L328 PolarHBondContact OH-O 3.08Å; Y102-I332 HydrophobicContact CD2-CD1 4.06Å; Y102-I332 HydrophobicContact CE2-CD1 4.05Å; Y102-V345 HydrophobicContact CD2-CG2 4.2Å; Y102-V345 HydrophobicContact CE2-CG2 4.27Å; Y102-K348 HydrophobicContact CD1-CD 4.13Å; Y102-K348 HydrophobicContact CD1-CG 3.89Å; Y102-K348 HydrophobicContact CG-CB 3.99Å; Y102-K348 HydrophobicContact CG-CD 4.39Å; Y102-K348 HydrophobicContact CG-CG 3.86Å
103	E	95.1	Very high	82.2	Confident	66 Å²	66	73.2 Å²	73.2	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-30.1	177.8	-64.1	-54.4	135.6	0	0	113.2	E99 Y101 K106 K348	E99-E103 HydrophobicContact CB-CG 4.16Å; E99-E103 WeakPolarHBondContact O-CG 3.47Å; E99-E103 PolarHBondContact O-N 3.4Å; Y101-E103 VanDerWaalsContact C-N 3.34Å; Y101-E103 PolarHBondContact O-N 2.71Å; E103-K106 WeakPolarHBondContact O-CG 3.4Å; E103-K106 VanDerWaalsContact OE2-CD 3.3Å; E103-K106 WeakPolarHBondContact OE2-CD 3.39Å; E103-K106 WeakPolarHBondContact OE2-CE 3.44Å; E103-K106 IonicContact OE2-NZ 3.16Å; E103-K106 PolarHBondContact OE2-NZ 2.86Å; E103-K348 IonicContact OE1-NZ 2.63Å; E103-K348 PolarHBondContact OE1-NZ 3.22Å
104	Y	95.1	Very high	84.6	Confident	81 Å²	81	75.7 Å²	75.7	32%	0.318	36%	0.363	S	S	.	.	H	α-helix	trans	-72.5	-39.1	173.9	-177.6	-96.2	0	0	0	112.6	K100 Y101 Y102 Y299 P302 F303 K333	K100-Y104 PolarHBondContact O-N 3.03Å; Y101-Y104 WeakPolarHBondContact O-CB 3.49Å; Y101-Y104 PolarHBondContact O-N 2.92Å; Y102-Y104 PolarHBondContact O-N 2.91Å; Y104-Y299 PolarHBondContact OH-O 2.76Å; Y104-P302 HydrophobicContact CD2-CG 4.1Å; Y104-P302 HydrophobicContact CE1-CG 4.12Å; Y104-P302 HydrophobicContact CE2-CG 3.69Å; Y104-P302 HydrophobicContact CG-CG 4.49Å; Y104-P302 VanDerWaalsContact CZ-CD 3.49Å; Y104-F303 HydrophobicContact CD1-CE2 4.27Å; Y104-F303 HydrophobicContact CG-CE2 4.04Å; Y104-F303 HydrophobicContact CG-CZ 4.16Å; Y104-K333 PolarHBondContact O-NZ 2.94Å
105	F	94.7	Very high	86.7	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-90	-14.6	-176.5	-73.8	-73.4	0	0	0	114	Y101 Y102 K300 Y301 I332 K333 F335 I344	Y101-F105 VanDerWaalsContact O-CD2 3.26Å; Y101-F105 WeakPolarHBondContact O-CD2 3.49Å; Y101-F105 PolarHBondContact O-N 2.87Å; Y102-F105 CarbonylContact O-C 3.51Å; Y102-F105 PolarHBondContact O-N 3.15Å; F105-K300 WeakPolarHBondContact CZ-O 3.45Å; F105-Y301 AromaticContact CE2-CD2 3.63Å; F105-Y301 HydrophobicContact CE2-CD2 3.63Å; F105-Y301 AromaticContact CE2-CE2 3.86Å; F105-Y301 HydrophobicContact CE2-CE2 3.86Å; F105-Y301 AromaticContact CZ-CD2 3.62Å; F105-Y301 HydrophobicContact CZ-CD2 3.62Å; F105-Y301 HydrophobicContact CZ-CE2 4.32Å; F105-I332 HydrophobicContact CB-CD1 4.04Å; F105-I332 HydrophobicContact CB-CG1 3.62Å; F105-I332 CarbonylContact O-C 3.56Å; F105-K333 HydrophobicContact CD1-CB 4.24Å; F105-K333 WeakPolarHBondContact O-CB 3.5Å; F105-K333 VanDerWaalsContact O-CG 3.28Å; F105-K333 WeakPolarHBondContact O-CG 3.42Å; F105-K333 PolarHBondContact O-N 2.89Å; F105-F335 AromaticContact CE1-CD2 3.63Å; F105-F335 HydrophobicContact CE1-CD2 3.63Å; F105-F335 HydrophobicContact CE1-CE2 4.3Å; F105-F335 HydrophobicContact CE1-CG 4.47Å; F105-F335 AromaticContact CZ-CD2 3.72Å; F105-F335 HydrophobicContact CZ-CD2 3.72Å; F105-F335 AromaticContact CZ-CE2 3.93Å; F105-F335 HydrophobicContact CZ-CE2 3.93Å; F105-I344 HydrophobicContact CD2-CD1 3.87Å; F105-I344 HydrophobicContact CE2-CD1 3.9Å
106	K	95.1	Very high	88.9	Confident	104 Å²	104	68.8 Å²	68.8	45%	0.452	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-58.9	148	178.6	76.5	-178.8	179.4	-179.9	0	111.2	Y102 E103 K333	Y102-K106 HydrophobicContact CD1-CB 4.34Å; Y102-K106 HydrophobicContact CE1-CB 3.93Å; Y102-K106 PolarHBondContact O-N 2.85Å; E103-K106 WeakPolarHBondContact O-CG 3.4Å; E103-K106 VanDerWaalsContact OE2-CD 3.3Å; E103-K106 WeakPolarHBondContact OE2-CD 3.39Å; E103-K106 WeakPolarHBondContact OE2-CE 3.44Å; E103-K106 IonicContact OE2-NZ 3.16Å; E103-K106 PolarHBondContact OE2-NZ 2.86Å; K106-K333 WeakPolarHBondContact O-CE 3.41Å
107	T	94.7	Very high	91.1	Very high	35 Å²	35	61 Å²	61	22%	0.215	30%	0.302	C	S	.	.			trans	-142.4	152.2	176.5	177.7	0	0	0	0	109.5	N109 H331 I332 K333	T107-N109 HydrophobicContact CG2-CB 4.47Å; T107-N109 WeakPolarHBondContact CG2-O 3.4Å; T107-N109 PolarHBondContact OG1-N 2.99Å; T107-N109 VanDerWaalsContact OG1-N 3.16Å; T107-H331 VanDerWaalsContact CG2-C 3.45Å; T107-H331 WeakPolarHBondContact CG2-O 3.43Å; T107-H331 PolarHBondContact N-O 3.19Å; T107-I332 VanDerWaalsContact CG2-C 3.41Å; T107-K333 HydrophobicContact CG2-CG 4.44Å
108	T	92.7	Very high	92.9	Very high	135 Å²	135	60 Å²	60	83%	0.828	30%	0.296	S	S	*	.	S	Bend	trans	-75.3	-18.7	171.8	52.3	0	0	0	0	112
109	N	93.2	Very high	94.2	Very high	112 Å²	112	59.7 Å²	59.7	60%	0.599	29%	0.294	S	S	*	.	S	Bend	trans	-75.5	134.5	179.6	-63.5	-7.7	0	0	0	110.3	T107	T107-N109 HydrophobicContact CG2-CB 4.47Å; T107-N109 WeakPolarHBondContact CG2-O 3.4Å; T107-N109 PolarHBondContact OG1-N 2.99Å; T107-N109 VanDerWaalsContact OG1-N 3.16Å
110	T	94	Very high	94.4	Very high	73 Å²	73	60 Å²	60	45%	0.448	31%	0.306	S	S	.	.			trans	-84.8	120.1	170.9	-53.2	0	0	0	0	109.2	Y112 R330 H331	T110-Y112 PolarHBondContact O-N 3.45Å; T110-R330 CarbonylContact C-O 3.49Å; T110-R330 WeakPolarHBondContact CA-O 3.35Å; T110-H331 PolarHBondContact OG1-CE1 3.29Å; T110-H331 VanDerWaalsContact OG1-CE1 3.23Å
111	N	93.5	Very high	93.8	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.128	31%	0.312	C	S	.	.			trans	-72.2	111.7	167.6	-62.2	-46.3	0	0	0	108.5	I230 L329 R330 I332	N111-I230 HydrophobicContact CB-CD1 3.9Å; N111-I230 HydrophobicContact CB-CG2 4.46Å; N111-L329 PolarHBondContact ND2-O 2.83Å; N111-R330 PolarHBondContact N-O 3Å; N111-I332 PolarHBondContact ND2-O 3.45Å
112	Y	93	Very high	92.8	Very high	146 Å²	146	60.8 Å²	60.8	57%	0.573	32%	0.319	S	S	*	.			trans	-111.6	133.2	166.7	175.2	-107.7	0	0	0	108.6	T110 E114 P115 E234	T110-Y112 PolarHBondContact O-N 3.45Å; Y112-E114 HydrophobicContact CE1-CB 4.05Å; Y112-P115 WeakPolarHBondContact OH-CD 3.4Å; Y112-E234 WeakPolarHBondContact CE2-OE1 3.47Å
113	I	96.1	Very high	92.2	Very high	13 Å²	13	60 Å²	60	7%	0.067	32%	0.316	C	S	.	.			trans	-115.5	100.9	-177.8	-53.1	-58.9	0	0	0	107.5	F216 F218 R227 I230	I113-F216 HydrophobicContact CG2-CB 3.66Å; I113-F216 HydrophobicContact CG2-CD1 3.89Å; I113-F216 HydrophobicContact CG2-CG 3.89Å; I113-F218 HydrophobicContact CG2-CD1 4Å; I113-R227 HydrophobicContact CD1-CB 3.76Å; I113-R227 HydrophobicContact CD1-CG 3.79Å; I113-R227 HydrophobicContact CG1-CB 4.43Å; I113-I230 HydrophobicContact CG1-CB 4.13Å; I113-I230 HydrophobicContact CG1-CG2 3.93Å
114	E	96.6	Very high	91.1	Very high	103 Å²	103	58.6 Å²	58.6	48%	0.481	31%	0.311	S	S	.	.			trans	-58.5	127.1	-176.8	179.2	-175.3	-160.9	0	0	111.3	Y112 F216 N217	Y112-E114 HydrophobicContact CE1-CB 4.05Å; E114-F216 CarbonylContact O-C 3.58Å; E114-F216 WeakPolarHBondContact O-CA 3.46Å; E114-N217 HydrophobicContact CB-CB 4.09Å; E114-N217 HydrophobicContact CG-CB 4.31Å; E114-N217 PolarHBondContact O-N 2.82Å; E114-N217 PolarHBondContact OE2-ND2 3.06Å
115	P	97	Very high	89.4	Confident	43 Å²	43	60.3 Å²	60.3	28%	0.279	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	148.9	174.7	31.6	-33.4	0	0	0	112	Y112 L118 F216	Y112-P115 WeakPolarHBondContact OH-CD 3.4Å; P115-L118 HydrophobicContact CB-CD1 3.8Å; P115-L118 HydrophobicContact CB-CD2 3.81Å; P115-L118 HydrophobicContact CB-CG 3.73Å; P115-L118 HydrophobicContact CG-CD1 3.99Å; P115-L118 HydrophobicContact CG-CG 4.45Å; P115-F216 HydrophobicContact CB-CD1 4.41Å
116	I	97.5	Very high	87.4	Confident	39 Å²	39	64.6 Å²	64.6	20%	0.2	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-48.9	171.9	-60.7	164.5	0	0	0	109.9	R188 W194 Q215 N217	I116-R188 HydrophobicContact CD1-CB 4.31Å; I116-W194 HydrophobicContact CD1-CH2 3.25Å; I116-W194 HydrophobicContact CD1-CZ2 4.15Å; I116-W194 HydrophobicContact CD1-CZ3 3.55Å; I116-W194 HydrophobicContact CG1-CH2 3.86Å; I116-W194 HydrophobicContact CG1-CZ3 4.44Å; I116-W194 HydrophobicContact CG2-CH2 4.23Å; I116-W194 HydrophobicContact CG2-CZ3 4.32Å; I116-Q215 HydrophobicContact CB-CB 4.24Å; I116-Q215 HydrophobicContact CB-CG 4.16Å; I116-Q215 HydrophobicContact CD1-CG 4.05Å; I116-Q215 PolarHBondContact N-O 2.96Å; I116-N217 HydrophobicContact CD1-CB 3.93Å; I116-N217 HydrophobicContact CG1-CB 3.9Å
117	L	97.4	Very high	85.1	Confident	11 Å²	11	64 Å²	64	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	177.5	-64.9	175.1	0	0	0	108.5	L203 F204 H207 L213 L214 Q215	L117-L203 HydrophobicContact CD1-CB 4.4Å; L117-F204 HydrophobicContact CD2-CD1 3.59Å; L117-F204 HydrophobicContact CD2-CE1 3.5Å; L117-F204 HydrophobicContact CG-CE1 4.39Å; L117-H207 HydrophobicContact CD1-CB 3.94Å; L117-H207 HydrophobicContact CD2-CB 4.43Å; L117-L213 HydrophobicContact CD1-CD1 4.45Å; L117-L214 WeakPolarHBondContact O-CA 3.47Å; L117-Q215 HydrophobicContact CB-CB 3.76Å; L117-Q215 HydrophobicContact CD1-CB 4.19Å; L117-Q215 VanDerWaalsContact CD1-OE1 3.27Å; L117-Q215 HydrophobicContact CG-CB 4.11Å; L117-Q215 PolarHBondContact N-O 3.03Å; L117-Q215 PolarHBondContact O-N 2.94Å
118	L	96.2	Very high	82.6	Confident	54 Å²	54	68.6 Å²	68.6	28%	0.283	37%	0.367	S	S	.	.			trans	-129.9	139.7	172.5	-64.6	178.7	0	0	0	108.8	P115 S120 H207 L214 Y235	P115-L118 HydrophobicContact CB-CD1 3.8Å; P115-L118 HydrophobicContact CB-CD2 3.81Å; P115-L118 HydrophobicContact CB-CG 3.73Å; P115-L118 HydrophobicContact CG-CD1 3.99Å; P115-L118 HydrophobicContact CG-CG 4.45Å; L118-S120 PolarHBondContact O-N 3.18Å; L118-H207 PolarHBondContact O-CE1 2.91Å; L118-H207 VanDerWaalsContact O-CE1 3.26Å; L118-H207 PolarHBondContact O-NE2 2.79Å; L118-L214 HydrophobicContact CD2-CD2 3.45Å; L118-L214 VanDerWaalsContact CD2-CD2 3.45Å; L118-Y235 HydrophobicContact CD2-CD2 3.8Å; L118-Y235 HydrophobicContact CD2-CE2 4.1Å
119	P	93.5	Very high	80.1	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	36%	0.361	C	S	.	.			trans	-50.9	129.5	171.1	-27.3	35.5	0	0	0	111.4	H122 Y183 N211 L213 L214	P119-H122 PolarHBondContact O-CE1 2.9Å; P119-H122 PolarHBondContact O-ND1 3.1Å; P119-Y183 HydrophobicContact CB-CD1 4.39Å; P119-Y183 HydrophobicContact CB-CE1 3.79Å; P119-Y183 HydrophobicContact CG-CD1 3.5Å; P119-Y183 HydrophobicContact CG-CE1 3.36Å; P119-N211 WeakPolarHBondContact CA-OD1 3.46Å; P119-N211 VanDerWaalsContact CB-O 3.32Å; P119-N211 WeakPolarHBondContact CB-O 3.49Å; P119-L213 WeakPolarHBondContact CD-O 3.28Å; P119-L214 HydrophobicContact CG-CD2 4.06Å; P119-L214 HydrophobicContact CG-CG 4.32Å
120	S	85.7	Confident	77.5	Confident	91 Å²	91	69.2 Å²	69.2	64%	0.636	37%	0.365	S	S	*	.	S	Bend	trans	-72.9	-28.9	176.2	62.8	0	0	0	0	112.7	L118 N211	L118-S120 PolarHBondContact O-N 3.18Å; S120-N211 PolarHBondContact N-ND2 3.05Å; S120-N211 PolarHBondContact N-OD1 2.96Å; S120-N211 PolarHBondContact OG-ND2 2.94Å; S120-N211 PolarHBondContact OG-OD1 3.32Å
121	S	78.5	Confident	75	Confident	68 Å²	68	71.7 Å²	71.7	48%	0.476	38%	0.38	S	S	.	.	S	Bend	trans	-95	98.2	170.5	51.7	0	0	0	0	109.7	N211	S121-N211 PolarHBondContact N-ND2 3.27Å; S121-N211 PolarHBondContact OG-ND2 2.99Å; S121-N211 VanDerWaalsContact OG-ND2 3.12Å
122	H	73.9	Confident	72.3	Confident	53 Å²	53	75.9 Å²	75.9	25%	0.245	41%	0.407	C	S	.	.			trans	-64.8	145.1	171.7	-57.9	-42.6	0	0	0	111.7	P119 D124 H125 Y235 H239	P119-H122 PolarHBondContact O-CE1 2.9Å; P119-H122 PolarHBondContact O-ND1 3.1Å; H122-D124 PolarHBondContact O-N 3.42Å; H122-H125 PolarHBondContact N-CD2 3.44Å; H122-H125 PolarHBondContact O-N 3.34Å; H122-Y235 PolarHBondContact ND1-OH 3.2Å; H122-H239 HydrophobicContact CB-CB 4.36Å; H122-H239 AromaticContact CD2-ND1 3.65Å; H122-H239 AromaticContact CE1-CE1 3.76Å; H122-H239 AromaticContact CE1-CG 3.97Å; H122-H239 AromaticContact CE1-ND1 3.14Å; H122-H239 PolarHBondContact CE1-ND1 3.34Å; H122-H239 AromaticContact CG-ND1 3.78Å; H122-H239 AromaticContact ND1-CG 3.91Å; H122-H239 AromaticContact ND1-ND1 3.47Å; H122-H239 PolarHBondContact ND1-ND1 3.49Å; H122-H239 AromaticContact NE2-CE1 3.82Å; H122-H239 AromaticContact NE2-ND1 3.21Å; H122-H239 PolarHBondContact NE2-ND1 3.2Å
123	C	81.9	Confident	69.6	Low	1 Å²	1	76.9 Å²	76.9	1%	0.007	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-11.4	166.8	32.6	0	0	0	0	115.1	Y181 Y183 H239 C240 T243	C123-Y181 HydrophobicContact CB-CD1 3.75Å; C123-Y181 HydrophobicContact CB-CD2 3.84Å; C123-Y181 HydrophobicContact CB-CE1 4.06Å; C123-Y181 HydrophobicContact CB-CE2 4.14Å; C123-Y181 HydrophobicContact CB-CG 3.63Å; C123-Y181 VanDerWaalsContact O-CZ 3.26Å; C123-Y181 PolarHBondContact O-OH 3.13Å; C123-Y183 PolarHBondContact N-OH 2.77Å; C123-H239 PolarHBondContact SG-O 3.14Å; C123-C240 HydrophobicContact CB-CB 3.82Å; C123-C240 WeakPolarHBondContact CB-SG 3.44Å; C123-C240 WeakPolarHBondContact SG-CA 3.41Å; C123-C240 WeakPolarHBondContact SG-CB 3.17Å; C123-C240 CovalentContact SG-SG 1.98Å; C123-C240 PolarHBondContact SG-SG 2.96Å; C123-T243 HydrophobicContact CB-CG2 4.34Å
124	D	72.8	Confident	66.8	Low	38 Å²	38	84.5 Å²	84.5	20%	0.203	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.8	175.5	-74.1	-23.7	0	0	0	115.2	H122 I126 C240 I241 H242	H122-D124 PolarHBondContact O-N 3.42Å; D124-I126 PolarHBondContact O-N 3.49Å; D124-C240 VanDerWaalsContact OD1-CA 3.28Å; D124-C240 WeakPolarHBondContact OD1-CA 3.26Å; D124-C240 PolarHBondContact OD2-N 3.49Å; D124-I241 PolarHBondContact OD1-N 3.33Å; D124-I241 WeakPolarHBondContact OD2-CG1 3.22Å; D124-I241 PolarHBondContact OD2-N 2.74Å; D124-H242 IonicContact OD1-CD2 2.6Å; D124-H242 PolarHBondContact OD1-N 3.45Å
125	H	59.6	Low	63.9	Low	117 Å²	117	85 Å²	85	54%	0.542	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.9	-169.2	-87.1	-76	0	0	0	115.7	H122	H122-H125 PolarHBondContact N-CD2 3.44Å; H122-H125 PolarHBondContact O-N 3.34Å
126	I	52.1	Low	61.2	Low	95 Å²	95	89.7 Å²	89.7	49%	0.487	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.7	-168.1	-63	179.3	0	0	0	113.2	D124 Y181	D124-I126 PolarHBondContact O-N 3.49Å; I126-Y181 HydrophobicContact CD1-CE1 4.24Å
127	M	47.9	Very low	58.4	Low	92 Å²	92	93.6 Å²	93.6	45%	0.453	52%	0.517	S	S	.	.	S	Bend	trans	-87.3	-19.7	-177.5	-79.6	-69.8	-176.6	0	0	115.2
128	N	41.9	Very low	55.8	Low	131 Å²	131	101.1 Å²	101.1	70%	0.701	56%	0.557	S	S	*	*	S	Bend	trans	-91	-14.9	-174.8	-93.2	5.8	0	0	0	115.7
129	N	39.6	Very low	53.2	Low	132 Å²	132	105.8 Å²	105.8	71%	0.706	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	1.6	-175.5	-79.1	3.6	0	0	0	115.1
130	N	39.1	Very low	50.9	Low	129 Å²	129	111.3 Å²	111.3	69%	0.69	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	12.6	178	-79.2	-3.2	0	0	0	114.7	T132	N130-T132 VanDerWaalsContact C-N 3.33Å
131	T	40.3	Very low	49.3	Very low	124 Å²	124	114 Å²	114	76%	0.761	62%	0.619	S	S	*	*	S	Bend	trans	-88.6	8.7	171.8	51.1	0	0	0	0	114.5
132	T	38.2	Very low	48.8	Very low	113 Å²	113	117.4 Å²	117.4	69%	0.693	63%	0.632	S	S	*	*	S	Bend	trans	-131.5	55.2	172.2	60.5	0	0	0	0	112.5	N130	N130-T132 VanDerWaalsContact C-N 3.33Å
133	H	36.7	Very low	49.1	Very low	167 Å²	167	118.5 Å²	118.5	77%	0.773	64%	0.639	S	S	*	*			trans	-142.9	112	152.4	-89.2	-66	0	0	0	110.2	T135	H133-T135 PolarHBondContact O-N 2.87Å
134	N	37.1	Very low	49.3	Very low	172 Å²	172	119.2 Å²	119.2	92%	0.92	64%	0.643	S	S	*	*			trans	-57.3	93.9	166.5	-75.1	-25.8	0	0	0	110
135	T	35.4	Very low	50.2	Low	114 Å²	114	117.8 Å²	117.8	70%	0.699	64%	0.635	S	S	*	*			trans	-143.1	126.5	151.4	48.6	0	0	0	0	109.1	H133 D137	H133-T135 PolarHBondContact O-N 2.87Å; T135-D137 VanDerWaalsContact C-N 3.27Å; T135-D137 PolarHBondContact O-N 3.4Å
136	T	40.1	Very low	52	Low	142 Å²	142	112.2 Å²	112.2	87%	0.871	61%	0.61	S	S	*	*			trans	-63.2	81.8	173.9	44.8	0	0	0	0	110.6
137	D	39.5	Very low	54.1	Low	120 Å²	120	107.7 Å²	107.7	64%	0.642	59%	0.587	S	S	*	*			trans	-133.7	83.3	161.5	-87.9	-32.8	0	0	0	108.2	T135 N139	T135-D137 VanDerWaalsContact C-N 3.27Å; T135-D137 PolarHBondContact O-N 3.4Å; D137-N139 PolarHBondContact O-N 2.79Å
138	N	41	Very low	56.5	Low	169 Å²	169	103.3 Å²	103.3	90%	0.904	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	22.9	179.2	-96.5	-15.2	0	0	0	114.4
139	N	43	Very low	59.2	Low	153 Å²	153	97.1 Å²	97.1	82%	0.818	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	2.6	179.8	-85.9	-14.9	0	0	0	115.1	D137 N141	D137-N139 PolarHBondContact O-N 2.79Å; N139-N141 VanDerWaalsContact C-N 3.25Å; N139-N141 PolarHBondContact O-N 3.49Å; N139-N141 VanDerWaalsContact O-N 3.15Å
140	N	44.7	Very low	62	Low	116 Å²	116	90.8 Å²	90.8	62%	0.62	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	5.9	-177	-87.4	-13.5	0	0	0	116.4
141	N	51.9	Low	64.8	Low	148 Å²	148	85.4 Å²	85.4	79%	0.791	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	8.8	-170.6	-83.1	-7.1	0	0	0	117.5	N139	N139-N141 VanDerWaalsContact C-N 3.25Å; N139-N141 PolarHBondContact O-N 3.49Å; N139-N141 VanDerWaalsContact O-N 3.15Å
142	N	68.1	Low	67.6	Low	140 Å²	140	79.5 Å²	79.5	75%	0.749	43%	0.432	S	S	*	.			trans	-118.1	19.5	-177.2	-91.9	-7.1	0	0	0	116.4	T144	N142-T144 PolarHBondContact O-N 2.9Å
143	I	81.3	Confident	70.4	Confident	75 Å²	75	75.6 Å²	75.6	39%	0.385	41%	0.409	S	S	.	.			trans	-62.4	130.4	172	-57.2	176	0	0	0	109.2	N145 Q179	I143-N145 WeakPolarHBondContact CG2-OD1 3.18Å; I143-Q179 HydrophobicContact CG2-CB 3.55Å
144	T	85.5	Confident	73.3	Confident	16 Å²	16	70 Å²	70	10%	0.098	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.9	174.7	-69.6	0	0	0	0	109.5	N142 G177 I178 Q179 K244 F245	N142-T144 PolarHBondContact O-N 2.9Å; T144-G177 PolarHBondContact N-O 3.28Å; T144-I178 HydrophobicContact CG2-CD1 3.88Å; T144-I178 WeakPolarHBondContact O-CA 3.37Å; T144-Q179 PolarHBondContact O-N 3.34Å; T144-K244 HydrophobicContact CG2-CD 4.21Å; T144-F245 HydrophobicContact CG2-CD2 3.71Å; T144-F245 HydrophobicContact CG2-CE2 3.7Å
145	N	92.5	Very high	76.2	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.4	-176.4	-63.5	9.4	0	0	0	110.2	I143 Q179 Y181 T243 K244 F245	I143-N145 WeakPolarHBondContact CG2-OD1 3.18Å; N145-Q179 WeakPolarHBondContact CA-O 3.32Å; N145-Y181 HydrophobicContact CB-CE2 4.28Å; N145-T243 HydrophobicContact CB-CG2 4.36Å; N145-K244 PolarHBondContact O-N 3.13Å; N145-F245 PolarHBondContact O-N 2.87Å
146	I	96.2	Very high	79.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.4	175.6	-177	164.9	0	0	0	110.5	I148 I178 Q179 P180 Y181 F245 L247 L264	I146-I148 HydrophobicContact CG1-CG1 4.29Å; I146-I178 HydrophobicContact CG2-CG2 3.68Å; I146-Q179 PolarHBondContact N-O 2.56Å; I146-P180 HydrophobicContact CG2-CB 4.13Å; I146-P180 CarbonylContact O-C 3.59Å; I146-P180 WeakPolarHBondContact O-CA 3.26Å; I146-Y181 PolarHBondContact O-N 3.11Å; I146-F245 CarbonylContact C-O 3.17Å; I146-F245 VanDerWaalsContact CA-O 3.3Å; I146-F245 WeakPolarHBondContact CA-O 3.43Å; I146-F245 HydrophobicContact CB-CB 4.23Å; I146-F245 HydrophobicContact CD1-CB 4.04Å; I146-F245 HydrophobicContact CG1-CB 3.94Å; I146-L247 HydrophobicContact CD1-CB 4.06Å; I146-L264 HydrophobicContact CD1-CD1 3.67Å; I146-L264 HydrophobicContact CD1-CD2 4.14Å
147	I	97	Very high	81.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	165.1	-46.4	163.4	0	0	0	108.7	F149 Y181 Y183 A236 C240 T243 F245 I246 L247	I147-F149 HydrophobicContact CB-CE2 4.08Å; I147-F149 HydrophobicContact CB-CZ 4.27Å; I147-F149 HydrophobicContact CD1-CE2 4.23Å; I147-F149 HydrophobicContact CD1-CZ 4.17Å; I147-F149 HydrophobicContact CG2-CD1 4.03Å; I147-F149 HydrophobicContact CG2-CD2 3.97Å; I147-F149 HydrophobicContact CG2-CE1 3.6Å; I147-F149 HydrophobicContact CG2-CE2 3.56Å; I147-F149 HydrophobicContact CG2-CG 4.2Å; I147-F149 HydrophobicContact CG2-CZ 3.37Å; I147-Y181 CarbonylContact C-O 3.53Å; I147-Y181 VanDerWaalsContact CA-O 3.3Å; I147-Y181 WeakPolarHBondContact CA-O 3.31Å; I147-Y181 WeakPolarHBondContact CG2-O 3.45Å; I147-Y183 HydrophobicContact CG2-CD2 3.65Å; I147-Y183 HydrophobicContact CG2-CE2 3.94Å; I147-A236 HydrophobicContact CD1-CB 3.71Å; I147-C240 HydrophobicContact CD1-CB 3.49Å; I147-C240 VanDerWaalsContact CD1-CB 3.49Å; I147-C240 WeakPolarHBondContact CD1-SG 3.5Å; I147-C240 HydrophobicContact CG1-CB 4.29Å; I147-T243 HydrophobicContact CD1-CG2 3.94Å; I147-T243 HydrophobicContact CG1-CG2 3.53Å; I147-F245 PolarHBondContact N-O 2.96Å; I147-I246 HydrophobicContact CD1-CG1 4.14Å; I147-I246 CarbonylContact O-C 3.57Å; I147-I246 WeakPolarHBondContact O-CA 3.31Å; I147-L247 PolarHBondContact O-N 3.43Å
148	I	97.9	Very high	84.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.2	174	-55.5	179.3	0	0	0	107.8	I146 I150 W167 P180 Y181 I182 Y183 L247 I249 I255	I146-I148 HydrophobicContact CG1-CG1 4.29Å; I148-I150 HydrophobicContact CG2-CG1 4.11Å; I148-W167 HydrophobicContact CG2-CZ3 4.1Å; I148-P180 HydrophobicContact CD1-CB 4.27Å; I148-Y181 PolarHBondContact N-O 2.92Å; I148-I182 HydrophobicContact CB-CG1 4.25Å; I148-I182 HydrophobicContact CD1-CG1 4.33Å; I148-I182 WeakPolarHBondContact O-CA 3.49Å; I148-Y183 PolarHBondContact O-N 3.32Å; I148-L247 CarbonylContact C-O 3.45Å; I148-L247 WeakPolarHBondContact CA-O 3.49Å; I148-L247 HydrophobicContact CG1-CB 4.37Å; I148-L247 HydrophobicContact CG1-CD2 4.25Å; I148-L247 HydrophobicContact CG2-CD2 4.01Å; I148-L247 HydrophobicContact CG2-CG 4.28Å; I148-I249 HydrophobicContact CG2-CG2 4.23Å; I148-I255 HydrophobicContact CG2-CD1 4.48Å
149	F	98.4	Very high	87.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.8	173.6	-64.9	-63.4	0	0	0	110.3	I147 Y183 T185 L214 T232 Y235 A236 I246 L247 I248 I249	I147-F149 HydrophobicContact CB-CE2 4.08Å; I147-F149 HydrophobicContact CB-CZ 4.27Å; I147-F149 HydrophobicContact CD1-CE2 4.23Å; I147-F149 HydrophobicContact CD1-CZ 4.17Å; I147-F149 HydrophobicContact CG2-CD1 4.03Å; I147-F149 HydrophobicContact CG2-CD2 3.97Å; I147-F149 HydrophobicContact CG2-CE1 3.6Å; I147-F149 HydrophobicContact CG2-CE2 3.56Å; I147-F149 HydrophobicContact CG2-CG 4.2Å; I147-F149 HydrophobicContact CG2-CZ 3.37Å; F149-Y183 WeakPolarHBondContact CA-O 3.28Å; F149-Y183 HydrophobicContact CD1-CD2 4.25Å; F149-Y183 AromaticContact CE1-CD2 3.75Å; F149-Y183 HydrophobicContact CE1-CD2 3.75Å; F149-Y183 HydrophobicContact CE1-CG 4.39Å; F149-T185 HydrophobicContact CB-CG2 4.11Å; F149-T185 HydrophobicContact CD1-CG2 3.85Å; F149-T185 HydrophobicContact CG-CG2 4.34Å; F149-L214 HydrophobicContact CD1-CD1 3.82Å; F149-L214 HydrophobicContact CE1-CD1 3.4Å; F149-L214 VanDerWaalsContact CE1-CD1 3.4Å; F149-T232 HydrophobicContact CB-CG2 3.66Å; F149-T232 HydrophobicContact CD1-CG2 3.46Å; F149-T232 VanDerWaalsContact CD1-CG2 3.46Å; F149-T232 HydrophobicContact CD2-CG2 3.29Å; F149-T232 HydrophobicContact CE1-CG2 3.8Å; F149-T232 HydrophobicContact CE2-CG2 3.64Å; F149-T232 HydrophobicContact CG-CG2 3.17Å; F149-T232 HydrophobicContact CZ-CG2 3.87Å; F149-Y235 HydrophobicContact CE1-CD1 4.09Å; F149-Y235 HydrophobicContact CZ-CD1 4.19Å; F149-A236 HydrophobicContact CE2-CB 3.77Å; F149-A236 HydrophobicContact CZ-CB 3.78Å; F149-I246 HydrophobicContact CD2-CG2 3.66Å; F149-I246 HydrophobicContact CE2-CG2 3.69Å; F149-L247 PolarHBondContact N-O 2.96Å; F149-I248 HydrophobicContact CB-CG1 4.41Å; F149-I248 HydrophobicContact CD2-CG1 4.3Å; F149-I248 WeakPolarHBondContact O-CA 3.24Å; F149-I249 PolarHBondContact O-N 3.47Å
150	I	98.5	Very high	90	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111	178.2	-51.7	179.5	0	0	0	108.2	I148 S152 L163 W167 A168 I182 Y183 F184 T185 I249 Q251	I148-I150 HydrophobicContact CG2-CG1 4.11Å; I150-S152 PolarHBondContact O-N 3.08Å; I150-L163 HydrophobicContact CG2-CD1 4.18Å; I150-W167 HydrophobicContact CD1-CH2 3.43Å; I150-W167 VanDerWaalsContact CD1-CH2 3.43Å; I150-W167 HydrophobicContact CD1-CZ2 4.27Å; I150-W167 HydrophobicContact CD1-CZ3 3.68Å; I150-W167 HydrophobicContact CG1-CH2 3.74Å; I150-W167 HydrophobicContact CG1-CZ3 4.15Å; I150-W167 HydrophobicContact CG2-CH2 4.39Å; I150-A168 HydrophobicContact CD1-CB 3.63Å; I150-I182 HydrophobicContact CD1-CG2 3.85Å; I150-I182 HydrophobicContact CG1-CG2 4.49Å; I150-Y183 PolarHBondContact N-O 2.77Å; I150-F184 HydrophobicContact CB-CD1 3.76Å; I150-F184 HydrophobicContact CB-CE1 4.05Å; I150-F184 HydrophobicContact CD1-CD1 4.13Å; I150-F184 HydrophobicContact CD1-CE1 3.57Å; I150-F184 HydrophobicContact CD1-CZ 4.02Å; I150-F184 HydrophobicContact CG1-CD1 4.45Å; I150-F184 HydrophobicContact CG1-CE1 4.35Å; I150-F184 HydrophobicContact CG2-CD1 3.94Å; I150-F184 HydrophobicContact CG2-CE1 4.03Å; I150-T185 PolarHBondContact O-N 2.95Å; I150-T185 PolarHBondContact O-OG1 3.28Å; I150-I249 CarbonylContact C-O 3.51Å; I150-I249 WeakPolarHBondContact CA-O 3.11Å; I150-I249 HydrophobicContact CB-CG2 4.47Å; I150-I249 HydrophobicContact CG1-CG2 4.03Å; I150-Q251 HydrophobicContact CG2-CB 3.93Å
151	K	98.2	Very high	92.5	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	96.4	175	-70.6	-174.1	-81.4	156.1	0	109.4	T185 K228 I248 I249 D250 Q251 G312 D338	K151-T185 WeakPolarHBondContact CA-OG1 3.31Å; K151-K228 HydrophobicContact CB-CD 4.47Å; K151-K228 HydrophobicContact CG-CD 4.26Å; K151-I248 HydrophobicContact CD-CG2 4.14Å; K151-I248 HydrophobicContact CG-CG2 4.17Å; K151-I249 PolarHBondContact N-O 2.9Å; K151-D250 WeakPolarHBondContact CB-OD1 3.28Å; K151-D250 WeakPolarHBondContact CD-OD1 3.36Å; K151-D250 WeakPolarHBondContact CE-OD1 3.35Å; K151-D250 VanDerWaalsContact NZ-CG 3.34Å; K151-D250 IonicContact NZ-OD1 3.71Å; K151-D250 PolarHBondContact NZ-OD1 3.46Å; K151-D250 IonicContact NZ-OD2 3.28Å; K151-D250 PolarHBondContact NZ-OD2 3.45Å; K151-Q251 WeakPolarHBondContact O-CB 3.36Å; K151-Q251 PolarHBondContact O-N 2.83Å; K151-G312 WeakPolarHBondContact CE-O 3.38Å; K151-G312 PolarHBondContact NZ-O 3.32Å; K151-D338 IonicContact NZ-OD2 2.69Å; K151-D338 PolarHBondContact NZ-OD2 3.29Å
152	S	98	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.			trans	-111.1	-177.7	178.3	-171.6	0	0	0	0	111.3	I150 R160 T185 K228 Q251	I150-S152 PolarHBondContact O-N 3.08Å; S152-R160 PolarHBondContact OG-NH1 2.87Å; S152-T185 CarbonylContact C-O 3.38Å; S152-T185 PolarHBondContact N-O 2.81Å; S152-T185 VanDerWaalsContact N-O 3.1Å; S152-K228 PolarHBondContact O-NZ 2.87Å; S152-Q251 PolarHBondContact OG-OE1 2.87Å
153	T	97.7	Very high	96.1	Very high	32 Å²	32	29.5 Å²	29.5	20%	0.196	14%	0.14	C	C	.	.			trans	-128.9	154.4	176	64.3	0	0	0	0	110.9	N155 K156 R160 E220	T153-N155 PolarHBondContact O-N 2.85Å; T153-N155 PolarHBondContact OG1-OD1 2.8Å; T153-K156 PolarHBondContact O-N 3.44Å; T153-K156 VanDerWaalsContact O-N 3.09Å; T153-K156 WeakPolarHBondContact OG1-CG 3.37Å; T153-R160 PolarHBondContact O-NH1 2.94Å; T153-E220 HydrophobicContact CG2-CG 3.89Å
154	Y	97.7	Very high	96.9	Very high	49 Å²	49	26.9 Å²	26.9	19%	0.192	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-30	-174	64.7	-100.3	0	0	0	114.5	F157 E189 I199 E220	Y154-F157 WeakPolarHBondContact O-CE2 3.46Å; Y154-F157 WeakPolarHBondContact O-CZ 3.3Å; Y154-E189 HydrophobicContact CD1-CG 4.29Å; Y154-E189 HydrophobicContact CD2-CG 3.54Å; Y154-E189 HydrophobicContact CE1-CG 4.03Å; Y154-E189 HydrophobicContact CE2-CB 4.49Å; Y154-E189 HydrophobicContact CE2-CG 3.21Å; Y154-E189 HydrophobicContact CG-CG 4.06Å; Y154-E189 VanDerWaalsContact CZ-CG 3.48Å; Y154-I199 HydrophobicContact CD2-CG2 3.61Å; Y154-I199 HydrophobicContact CE2-CD1 4.2Å; Y154-I199 HydrophobicContact CE2-CG2 4.26Å; Y154-E220 HydrophobicContact CD1-CB 3.53Å; Y154-E220 HydrophobicContact CD1-CG 3.89Å; Y154-E220 HydrophobicContact CE1-CB 3.76Å; Y154-E220 HydrophobicContact CE1-CG 4.19Å
155	N	97.1	Very high	97.3	Very high	79 Å²	79	29.8 Å²	29.8	42%	0.422	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.6	-174.6	59.6	-11.9	0	0	0	115.8	T153 F157	T153-N155 PolarHBondContact O-N 2.85Å; T153-N155 PolarHBondContact OG1-OD1 2.8Å; N155-F157 VanDerWaalsContact C-N 3.34Å; N155-F157 PolarHBondContact O-N 3.2Å
156	K	97.5	Very high	97.5	Very high	68 Å²	68	29.4 Å²	29.4	30%	0.296	14%	0.139	S	C	.	.			trans	-92.2	42.9	-173.1	-68.1	-83.6	178.4	160.2	0	114.6	T153 K158 L159 R160 D379	T153-K156 PolarHBondContact O-N 3.44Å; T153-K156 VanDerWaalsContact O-N 3.09Å; T153-K156 WeakPolarHBondContact OG1-CG 3.37Å; K156-K158 PolarHBondContact O-N 2.86Å; K156-L159 HydrophobicContact CB-CB 4.22Å; K156-L159 HydrophobicContact CB-CD2 4.35Å; K156-L159 WeakPolarHBondContact O-CB 3.44Å; K156-L159 PolarHBondContact O-N 3.39Å; K156-R160 PolarHBondContact O-N 3.13Å; K156-D379 WeakPolarHBondContact CE-OD2 3.35Å; K156-D379 IonicContact NZ-OD2 3.76Å; K156-D379 PolarHBondContact NZ-OD2 2.98Å
157	F	98.2	Very high	97.4	Very high	51 Å²	51	29.4 Å²	29.4	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-53.3	-52.7	-177.6	-60.7	-88.5	0	0	0	113.7	Y154 N155 L159 R160 Q161 I199 K202 L203 E206	Y154-F157 WeakPolarHBondContact O-CE2 3.46Å; Y154-F157 WeakPolarHBondContact O-CZ 3.3Å; N155-F157 VanDerWaalsContact C-N 3.34Å; N155-F157 PolarHBondContact O-N 3.2Å; F157-L159 PolarHBondContact O-N 3.29Å; F157-R160 VanDerWaalsContact CD1-NH2 3.28Å; F157-R160 PolarHBondContact O-N 3.32Å; F157-Q161 PolarHBondContact O-N 2.92Å; F157-I199 HydrophobicContact CE2-CG2 4.44Å; F157-I199 HydrophobicContact CZ-CG2 4.37Å; F157-K202 HydrophobicContact CE1-CB 3.75Å; F157-K202 HydrophobicContact CZ-CB 3.71Å; F157-L203 HydrophobicContact CE1-CD2 3.68Å; F157-L203 HydrophobicContact CE1-CG 3.92Å; F157-L203 HydrophobicContact CZ-CD2 3.89Å; F157-L203 HydrophobicContact CZ-CG 3.8Å; F157-E206 WeakPolarHBondContact CD1-OE2 3.3Å; F157-E206 WeakPolarHBondContact CE1-OE2 3.45Å
158	K	97.8	Very high	97.4	Very high	153 Å²	153	29.8 Å²	29.8	67%	0.665	14%	0.141	S	C	*	.	H	α-helix	trans	-62	-35.1	-177.7	-176.5	60.3	178.5	-175.9	0	112.2	K156 T162	K156-K158 PolarHBondContact O-N 2.86Å; K158-T162 PolarHBondContact O-N 2.89Å; K158-T162 PolarHBondContact O-OG1 3.13Å
159	L	97.6	Very high	97.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-69.7	-48.8	177.7	-175.7	81.8	0	0	0	111	K156 F157 Q161 T162 L163 Q251 Y377 D379	K156-L159 HydrophobicContact CB-CB 4.22Å; K156-L159 HydrophobicContact CB-CD2 4.35Å; K156-L159 WeakPolarHBondContact O-CB 3.44Å; K156-L159 PolarHBondContact O-N 3.39Å; F157-L159 PolarHBondContact O-N 3.29Å; L159-Q161 PolarHBondContact O-N 3.1Å; L159-T162 CarbonylContact O-C 3.49Å; L159-T162 WeakPolarHBondContact O-CA 3.34Å; L159-T162 WeakPolarHBondContact O-CB 3.33Å; L159-T162 PolarHBondContact O-N 3.31Å; L159-L163 HydrophobicContact CD2-CD1 4.03Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 HydrophobicContact CG-CG 4.34Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.16Å; L159-Q251 HydrophobicContact CD2-CB 3.64Å; L159-Q251 HydrophobicContact CD2-CG 3.55Å; L159-Q251 VanDerWaalsContact CD2-OE1 3.29Å; L159-Y377 WeakPolarHBondContact CD1-OH 3.32Å; L159-D379 WeakPolarHBondContact CD1-OD1 3.35Å; L159-D379 WeakPolarHBondContact CD2-OD1 3.27Å
160	R	98.2	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54	-44.7	175.4	-70.2	-168.9	-70.4	-84.9	6	111.4	S152 T153 K156 F157 T162 L163 R164 F184 E206	S152-R160 PolarHBondContact OG-NH1 2.87Å; T153-R160 PolarHBondContact O-NH1 2.94Å; K156-R160 PolarHBondContact O-N 3.13Å; F157-R160 VanDerWaalsContact CD1-NH2 3.28Å; F157-R160 PolarHBondContact O-N 3.32Å; R160-T162 VanDerWaalsContact C-N 3.3Å; R160-T162 PolarHBondContact O-N 3.19Å; R160-L163 WeakPolarHBondContact O-CB 3.05Å; R160-L163 PolarHBondContact O-N 2.77Å; R160-L163 VanDerWaalsContact O-N 3.16Å; R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.14Å; R160-F184 HydrophobicContact CB-CD1 4.27Å; R160-F184 HydrophobicContact CB-CE1 4.03Å; R160-F184 HydrophobicContact CB-CE2 4.3Å; R160-F184 HydrophobicContact CB-CG 4.49Å; R160-F184 HydrophobicContact CB-CZ 4.05Å; R160-F184 HydrophobicContact CG-CB 4.47Å; R160-F184 HydrophobicContact CG-CD1 3.58Å; R160-F184 HydrophobicContact CG-CD2 4.36Å; R160-F184 HydrophobicContact CG-CE1 3.79Å; R160-F184 HydrophobicContact CG-CG 3.89Å; R160-F184 HydrophobicContact CG-CZ 4.27Å; R160-E206 WeakPolarHBondContact CD-OE1 3.19Å; R160-E206 IonicContact CZ-OE1 3.32Å; R160-E206 IonicContact CZ-OE2 3.23Å; R160-E206 VanDerWaalsContact CZ-OE2 3.28Å; R160-E206 VanDerWaalsContact NE-CD 3.34Å; R160-E206 IonicContact NE-OE1 2.84Å; R160-E206 PolarHBondContact NE-OE1 2.9Å; R160-E206 IonicContact NE-OE2 2.92Å; R160-E206 PolarHBondContact NE-OE2 2.84Å; R160-E206 IonicContact NH2-OE1 2.84Å; R160-E206 IonicContact NH2-OE2 3.94Å; R160-E206 PolarHBondContact NH2-OE2 3.06Å
161	Q	98	Very high	96.6	Very high	59 Å²	59	39.6 Å²	39.6	28%	0.276	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-38.2	174.2	-166.6	58.2	28.9	0	0	113.2	F157 L159 N165 H210	F157-Q161 PolarHBondContact O-N 2.92Å; L159-Q161 PolarHBondContact O-N 3.1Å; Q161-N165 VanDerWaalsContact O-CG 3.27Å; Q161-N165 PolarHBondContact O-N 3.48Å; Q161-N165 PolarHBondContact O-ND2 2.91Å; Q161-H210 PolarHBondContact OE1-NE2 3.43Å; Q161-H210 VanDerWaalsContact OE1-NE2 3.11Å
162	T	97.6	Very high	96.4	Very high	9 Å²	9	39 Å²	39	6%	0.055	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-38.7	176.4	-55	0	0	0	0	111.5	K158 L159 R160 N165 T166 S381 L384 M385	K158-T162 PolarHBondContact O-N 2.89Å; K158-T162 PolarHBondContact O-OG1 3.13Å; L159-T162 CarbonylContact O-C 3.49Å; L159-T162 WeakPolarHBondContact O-CA 3.34Å; L159-T162 WeakPolarHBondContact O-CB 3.33Å; L159-T162 PolarHBondContact O-N 3.31Å; R160-T162 VanDerWaalsContact C-N 3.3Å; R160-T162 PolarHBondContact O-N 3.19Å; T162-N165 PolarHBondContact O-N 3.43Å; T162-T166 WeakPolarHBondContact O-CG2 3.19Å; T162-T166 PolarHBondContact O-N 2.88Å; T162-T166 PolarHBondContact O-OG1 2.73Å; T162-S381 WeakPolarHBondContact CG2-O 3.39Å; T162-S381 WeakPolarHBondContact OG1-CB 3.44Å; T162-L384 HydrophobicContact CG2-CB 4.4Å; T162-L384 HydrophobicContact CG2-CD2 3.86Å; T162-L384 HydrophobicContact CG2-CG 4.25Å; T162-M385 HydrophobicContact CG2-CE 4.17Å
163	L	97.7	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-47	175.7	-69.5	165.8	0	0	0	110.7	I150 L159 R160 N165 T166 W167 A168 F184 Q251 L384	I150-L163 HydrophobicContact CG2-CD1 4.18Å; L159-L163 HydrophobicContact CD2-CD1 4.03Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 HydrophobicContact CG-CG 4.34Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.16Å; R160-L163 WeakPolarHBondContact O-CB 3.05Å; R160-L163 PolarHBondContact O-N 2.77Å; R160-L163 VanDerWaalsContact O-N 3.16Å; L163-N165 PolarHBondContact O-N 2.64Å; L163-T166 WeakPolarHBondContact CA-OG1 3.28Å; L163-T166 CarbonylContact O-C 3.53Å; L163-T166 PolarHBondContact O-N 3.09Å; L163-T166 PolarHBondContact O-OG1 3.38Å; L163-W167 HydrophobicContact CD2-CD2 4.46Å; L163-W167 VanDerWaalsContact CD2-CE2 3.41Å; L163-W167 HydrophobicContact CD2-CH2 4.46Å; L163-W167 HydrophobicContact CD2-CZ2 3.44Å; L163-W167 VanDerWaalsContact CD2-CZ2 3.44Å; L163-A168 HydrophobicContact CB-CB 4Å; L163-A168 WeakPolarHBondContact O-CA 3.37Å; L163-A168 VanDerWaalsContact O-CB 3.27Å; L163-A168 WeakPolarHBondContact O-CB 3.41Å; L163-A168 PolarHBondContact O-N 3.41Å; L163-A168 VanDerWaalsContact O-N 3.08Å; L163-F184 HydrophobicContact CB-CE1 4.02Å; L163-F184 HydrophobicContact CB-CZ 4Å; L163-F184 HydrophobicContact CD1-CE1 3.76Å; L163-Q251 HydrophobicContact CD1-CB 4.18Å; L163-L384 HydrophobicContact CD2-CD2 3.59Å; L163-L384 HydrophobicContact CG-CD2 4.14Å
164	R	96.9	Very high	95.9	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-34	174	-69.2	-179.7	-171.7	106.3	6.4	113.1	R160 T166 N169 F184 E206 H210 D212	R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.14Å; R164-T166 VanDerWaalsContact C-N 3.33Å; R164-N169 WeakPolarHBondContact O-CB 3.43Å; R164-N169 PolarHBondContact O-ND2 3.32Å; R164-F184 HydrophobicContact CG-CE2 3.94Å; R164-F184 HydrophobicContact CG-CZ 4.1Å; R164-E206 IonicContact CZ-OE1 3.28Å; R164-E206 VanDerWaalsContact CZ-OE1 3.32Å; R164-E206 IonicContact NH1-OE1 3.05Å; R164-E206 PolarHBondContact NH1-OE1 3.33Å; R164-E206 IonicContact NH2-OE1 2.7Å; R164-E206 PolarHBondContact NH2-OE1 3.18Å; R164-H210 PolarHBondContact NH1-CD2 2.92Å; R164-H210 VanDerWaalsContact NH1-CD2 3.26Å; R164-D212 IonicContact CZ-OD1 3.81Å; R164-D212 IonicContact CZ-OD2 3.34Å; R164-D212 IonicContact NE-OD1 2.83Å; R164-D212 IonicContact NE-OD2 2.73Å; R164-D212 PolarHBondContact NE-OD2 2.91Å; R164-D212 VanDerWaalsContact NH2-CG 3.34Å; R164-D212 IonicContact NH2-OD1 3.93Å; R164-D212 PolarHBondContact NH2-OD1 3.27Å; R164-D212 IonicContact NH2-OD2 3.13Å; R164-D212 PolarHBondContact NH2-OD2 3.21Å; R164-D212 VanDerWaalsContact NH2-OD2 3.13Å
165	N	95.3	Very high	95.5	Very high	77 Å²	77	43.4 Å²	43.4	41%	0.412	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.9	178.3	-68.7	-14.4	0	0	0	114.1	Q161 T162 L163 M385 Y398	Q161-N165 VanDerWaalsContact O-CG 3.27Å; Q161-N165 PolarHBondContact O-N 3.48Å; Q161-N165 PolarHBondContact O-ND2 2.91Å; T162-N165 PolarHBondContact O-N 3.43Å; L163-N165 PolarHBondContact O-N 2.64Å; N165-M385 HydrophobicContact CB-CE 4.26Å; N165-Y398 PolarHBondContact O-OH 2.88Å
166	T	95.7	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-121.7	-176.5	57	0	0	0	0	110.9	T162 L163 R164 A168 N169 L384 M385 W388	T162-T166 WeakPolarHBondContact O-CG2 3.19Å; T162-T166 PolarHBondContact O-N 2.88Å; T162-T166 PolarHBondContact O-OG1 2.73Å; L163-T166 WeakPolarHBondContact CA-OG1 3.28Å; L163-T166 CarbonylContact O-C 3.53Å; L163-T166 PolarHBondContact O-N 3.09Å; L163-T166 PolarHBondContact O-OG1 3.38Å; R164-T166 VanDerWaalsContact C-N 3.33Å; T166-A168 VanDerWaalsContact C-N 3.29Å; T166-A168 PolarHBondContact O-N 3.19Å; T166-N169 VanDerWaalsContact O-CB 3.31Å; T166-N169 WeakPolarHBondContact O-CB 3.46Å; T166-L384 HydrophobicContact CG2-CG 4.37Å; T166-M385 HydrophobicContact CG2-CE 3.83Å; T166-M385 HydrophobicContact CG2-SD 4.19Å; T166-W388 HydrophobicContact CG2-CB 3.92Å; T166-W388 HydrophobicContact CG2-CD2 4.14Å; T166-W388 HydrophobicContact CG2-CG 3.67Å
167	W	95.2	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.2	-173	62.3	-96.5	0	0	0	113.5	I148 I150 L163 N169 Y173 I249 F253 I254 I255 W388	I148-W167 HydrophobicContact CG2-CZ3 4.1Å; I150-W167 HydrophobicContact CD1-CH2 3.43Å; I150-W167 VanDerWaalsContact CD1-CH2 3.43Å; I150-W167 HydrophobicContact CD1-CZ2 4.27Å; I150-W167 HydrophobicContact CD1-CZ3 3.68Å; I150-W167 HydrophobicContact CG1-CH2 3.74Å; I150-W167 HydrophobicContact CG1-CZ3 4.15Å; I150-W167 HydrophobicContact CG2-CH2 4.39Å; L163-W167 HydrophobicContact CD2-CD2 4.46Å; L163-W167 VanDerWaalsContact CD2-CE2 3.41Å; L163-W167 HydrophobicContact CD2-CH2 4.46Å; L163-W167 HydrophobicContact CD2-CZ2 3.44Å; L163-W167 VanDerWaalsContact CD2-CZ2 3.44Å; W167-N169 PolarHBondContact O-N 3.02Å; W167-Y173 WeakPolarHBondContact O-CE2 3.47Å; W167-Y173 PolarHBondContact O-OH 2.95Å; W167-I249 HydrophobicContact CH2-CD1 4.13Å; W167-I249 HydrophobicContact CH2-CG2 3.71Å; W167-I249 HydrophobicContact CZ2-CD1 4.45Å; W167-I249 HydrophobicContact CZ3-CG2 4.31Å; W167-F253 VanDerWaalsContact CE2-O 3.31Å; W167-F253 WeakPolarHBondContact CZ2-O 3.42Å; W167-F253 PolarHBondContact NE1-O 3.39Å; W167-I254 HydrophobicContact CG-CG1 4.42Å; W167-I255 HydrophobicContact CB-CB 4.2Å; W167-I255 HydrophobicContact CD2-CB 4.02Å; W167-I255 HydrophobicContact CD2-CD1 4.21Å; W167-I255 HydrophobicContact CD2-CG1 3.86Å; W167-I255 HydrophobicContact CE3-CB 3.9Å; W167-I255 HydrophobicContact CE3-CD1 3.36Å; W167-I255 HydrophobicContact CE3-CG1 3.53Å; W167-I255 HydrophobicContact CG-CB 4.19Å; W167-I255 HydrophobicContact CH2-CD1 4Å; W167-I255 HydrophobicContact CH2-CG1 4.19Å; W167-I255 HydrophobicContact CZ2-CG1 4.47Å; W167-I255 HydrophobicContact CZ3-CD1 3.25Å; W167-I255 HydrophobicContact CZ3-CG1 3.73Å; W167-W388 HydrophobicContact CB-CE3 4.2Å; W167-W388 HydrophobicContact CB-CH2 3.9Å; W167-W388 HydrophobicContact CB-CZ3 3.49Å; W167-W388 VanDerWaalsContact CB-CZ3 3.49Å
168	A	96.5	Very high	94.5	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	37.8	176.3	0	0	0	0	0	111.2	I150 L163 T166 I182	I150-A168 HydrophobicContact CD1-CB 3.63Å; L163-A168 HydrophobicContact CB-CB 4Å; L163-A168 WeakPolarHBondContact O-CA 3.37Å; L163-A168 VanDerWaalsContact O-CB 3.27Å; L163-A168 WeakPolarHBondContact O-CB 3.41Å; L163-A168 PolarHBondContact O-N 3.41Å; L163-A168 VanDerWaalsContact O-N 3.08Å; T166-A168 VanDerWaalsContact C-N 3.29Å; T166-A168 PolarHBondContact O-N 3.19Å; A168-I182 VanDerWaalsContact C-CD1 3.44Å; A168-I182 HydrophobicContact CB-CD1 4.43Å; A168-I182 HydrophobicContact CB-CG2 4.05Å; A168-I182 WeakPolarHBondContact O-CD1 3.31Å
169	N	94.2	Very high	94.3	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	18%	0.177	C	C	.	.			trans	-112	126.4	176.8	-166.1	-65.3	0	0	0	109.9	R164 T166 W167 K171 C172 Y173	R164-N169 WeakPolarHBondContact O-CB 3.43Å; R164-N169 PolarHBondContact O-ND2 3.32Å; T166-N169 VanDerWaalsContact O-CB 3.31Å; T166-N169 WeakPolarHBondContact O-CB 3.46Å; W167-N169 PolarHBondContact O-N 3.02Å; N169-K171 PolarHBondContact O-N 2.85Å; N169-K171 VanDerWaalsContact OD1-CB 3.31Å; N169-K171 WeakPolarHBondContact OD1-CB 3.15Å; N169-K171 WeakPolarHBondContact OD1-CG 3.25Å; N169-K171 PolarHBondContact OD1-N 2.96Å; N169-C172 WeakPolarHBondContact O-CB 3.5Å; N169-C172 PolarHBondContact O-N 3.36Å; N169-Y173 WeakPolarHBondContact O-CD2 3.31Å; N169-Y173 WeakPolarHBondContact O-CE2 3.4Å
170	S	92.6	Very high	94.2	Very high	47 Å²	47	34.7 Å²	34.7	33%	0.329	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.2	-176.3	57.7	0	0	0	0	113.6	C172 Y173 L174	S170-C172 PolarHBondContact O-N 3.36Å; S170-C172 VanDerWaalsContact O-N 3.14Å; S170-Y173 PolarHBondContact O-N 3.23Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 3.49Å
171	K	91.9	Very high	94.1	Very high	128 Å²	128	35.8 Å²	35.8	56%	0.557	18%	0.182	S	C	*	.	H	α-helix	trans	-58.8	-28.7	179.6	-64.1	-177.4	178.2	-177.2	0	113.1	N169 Y173 Y398	N169-K171 PolarHBondContact O-N 2.85Å; N169-K171 VanDerWaalsContact OD1-CB 3.31Å; N169-K171 WeakPolarHBondContact OD1-CB 3.15Å; N169-K171 WeakPolarHBondContact OD1-CG 3.25Å; N169-K171 PolarHBondContact OD1-N 2.96Å; K171-Y173 PolarHBondContact O-N 2.72Å; K171-Y173 VanDerWaalsContact O-N 3.13Å; K171-Y398 HydrophobicContact CD-CD1 4.32Å
172	C	92.6	Very high	94	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-20.7	176	-71.4	0	0	0	0	114	N169 S170 P257 C397	N169-C172 WeakPolarHBondContact O-CB 3.5Å; N169-C172 PolarHBondContact O-N 3.36Å; S170-C172 PolarHBondContact O-N 3.36Å; S170-C172 VanDerWaalsContact O-N 3.14Å; C172-P257 HydrophobicContact CB-CB 3.97Å; C172-P257 HydrophobicContact CB-CG 3.91Å; C172-C397 VanDerWaalsContact CA-SG 3.5Å; C172-C397 HydrophobicContact CB-CB 3.94Å; C172-C397 WeakPolarHBondContact CB-SG 3.29Å; C172-C397 WeakPolarHBondContact SG-CB 3.24Å; C172-C397 CovalentContact SG-SG 2.03Å; C172-C397 PolarHBondContact SG-SG 3.19Å
173	Y	94.1	Very high	94	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-118.1	-38.4	-168.8	-54	-85.9	0	0	0	112.6	W167 N169 S170 K171 K175 Y176 I178 P180 P257 L260 I261	W167-Y173 WeakPolarHBondContact O-CE2 3.47Å; W167-Y173 PolarHBondContact O-OH 2.95Å; N169-Y173 WeakPolarHBondContact O-CD2 3.31Å; N169-Y173 WeakPolarHBondContact O-CE2 3.4Å; S170-Y173 PolarHBondContact O-N 3.23Å; K171-Y173 PolarHBondContact O-N 2.72Å; K171-Y173 VanDerWaalsContact O-N 3.13Å; Y173-K175 VanDerWaalsContact C-N 3.33Å; Y173-K175 PolarHBondContact O-N 3.36Å; Y173-Y176 PolarHBondContact O-N 3.39Å; Y173-I178 CarbonylContact C-O 3.56Å; Y173-I178 PolarHBondContact O-N 3.14Å; Y173-P180 HydrophobicContact CD2-CB 4.13Å; Y173-P180 HydrophobicContact CD2-CG 3.69Å; Y173-P180 HydrophobicContact CG-CB 4.32Å; Y173-P180 HydrophobicContact CG-CG 3.98Å; Y173-P257 HydrophobicContact CD1-CB 4.25Å; Y173-P257 HydrophobicContact CE1-CB 3.73Å; Y173-P257 HydrophobicContact CE1-CG 4.46Å; Y173-L260 HydrophobicContact CE1-CD2 4.11Å; Y173-I261 HydrophobicContact CD1-CD1 4.24Å; Y173-I261 HydrophobicContact CD1-CG1 4.18Å
174	L	91.7	Very high	94.1	Very high	77 Å²	77	34.3 Å²	34.3	40%	0.403	17%	0.174	S	C	.	.	H	α-helix	trans	-55.5	-44	-173	-72.1	171	0	0	0	113.3	S170 Y176 G177 I178	S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 3.49Å; L174-Y176 PolarHBondContact O-N 3.36Å; L174-G177 PolarHBondContact O-N 3.36Å; L174-I178 VanDerWaalsContact CA-O 3.3Å; L174-I178 WeakPolarHBondContact CA-O 3.38Å; L174-I178 PolarHBondContact N-O 3.48Å
175	K	88.4	Confident	94.1	Very high	97 Å²	97	33.3 Å²	33.3	42%	0.422	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.5	179.9	68.3	177.7	-176.1	165.1	0	114.6	Y173 L396 N399	Y173-K175 VanDerWaalsContact C-N 3.33Å; Y173-K175 PolarHBondContact O-N 3.36Å; K175-L396 WeakPolarHBondContact CE-O 3.49Å; K175-L396 PolarHBondContact NZ-O 2.88Å; K175-N399 PolarHBondContact NZ-OXT 3.45Å
176	Y	90.6	Very high	94.3	Very high	91 Å²	91	29.6 Å²	29.6	36%	0.357	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	16.4	175.7	-59.3	-73.5	0	0	0	112.6	Y173 L174 I178 L258 I261	Y173-Y176 PolarHBondContact O-N 3.39Å; L174-Y176 PolarHBondContact O-N 3.36Å; Y176-I178 VanDerWaalsContact C-N 3.28Å; Y176-I178 PolarHBondContact O-N 2.96Å; Y176-L258 HydrophobicContact CD2-CD2 4.25Å; Y176-L258 HydrophobicContact CE1-CD2 4.14Å; Y176-L258 HydrophobicContact CE2-CD2 3.42Å; Y176-L258 VanDerWaalsContact CE2-CD2 3.42Å; Y176-L258 WeakPolarHBondContact OH-CD2 3.46Å; Y176-I261 HydrophobicContact CD2-CD1 3.43Å; Y176-I261 VanDerWaalsContact CD2-CD1 3.43Å; Y176-I261 HydrophobicContact CE2-CD1 4.23Å; Y176-I261 HydrophobicContact CG-CD1 3.81Å
177	G	89.6	Confident	94.4	Very high	36 Å²	36	29.6 Å²	29.6	37%	0.371	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	16.3	178.2	0	0	0	0	0	114.4	T144 L174	T144-G177 PolarHBondContact N-O 3.28Å; L174-G177 PolarHBondContact O-N 3.36Å
178	I	93.1	Very high	94.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.3	174.5	-56.7	-52.6	0	0	0	109.1	T144 I146 Y173 L174 Y176 P180 I261 L265	T144-I178 HydrophobicContact CG2-CD1 3.88Å; T144-I178 WeakPolarHBondContact O-CA 3.37Å; I146-I178 HydrophobicContact CG2-CG2 3.68Å; Y173-I178 CarbonylContact C-O 3.56Å; Y173-I178 PolarHBondContact O-N 3.14Å; L174-I178 VanDerWaalsContact CA-O 3.3Å; L174-I178 WeakPolarHBondContact CA-O 3.38Å; L174-I178 PolarHBondContact N-O 3.48Å; Y176-I178 VanDerWaalsContact C-N 3.28Å; Y176-I178 PolarHBondContact O-N 2.96Å; I178-P180 WeakPolarHBondContact O-CD 3.45Å; I178-I261 HydrophobicContact CG1-CB 4.4Å; I178-I261 HydrophobicContact CG1-CG1 3.88Å; I178-I261 HydrophobicContact CG1-CG2 4Å; I178-L265 HydrophobicContact CD1-CD2 4.05Å; I178-L265 HydrophobicContact CD1-CG 4.47Å
179	Q	93.6	Very high	94.6	Very high	39 Å²	39	33 Å²	33	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	104.7	172	175	64.1	60	0	0	109.6	I143 T144 N145 I146 Y181	I143-Q179 HydrophobicContact CG2-CB 3.55Å; T144-Q179 PolarHBondContact O-N 3.34Å; N145-Q179 WeakPolarHBondContact CA-O 3.32Å; I146-Q179 PolarHBondContact N-O 2.56Å; Q179-Y181 HydrophobicContact CG-CE1 4.45Å; Q179-Y181 HydrophobicContact CG-CE2 3.78Å
180	P	95	Very high	94.8	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.9	174.5	36.5	-36.6	0	0	0	111.1	I146 I148 Y173 I178 I182	I146-P180 HydrophobicContact CG2-CB 4.13Å; I146-P180 CarbonylContact O-C 3.59Å; I146-P180 WeakPolarHBondContact O-CA 3.26Å; I148-P180 HydrophobicContact CD1-CB 4.27Å; Y173-P180 HydrophobicContact CD2-CB 4.13Å; Y173-P180 HydrophobicContact CD2-CG 3.69Å; Y173-P180 HydrophobicContact CG-CB 4.32Å; Y173-P180 HydrophobicContact CG-CG 3.98Å; I178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-I182 HydrophobicContact CB-CD1 4.37Å; P180-I182 HydrophobicContact CB-CG1 4.12Å
181	Y	95.4	Very high	94.9	Very high	23 Å²	23	37.9 Å²	37.9	9%	0.09	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113	162.6	-60	-81.3	0	0	0	107.4	C123 I126 N145 I146 I147 I148 Q179 T243	C123-Y181 HydrophobicContact CB-CD1 3.75Å; C123-Y181 HydrophobicContact CB-CD2 3.84Å; C123-Y181 HydrophobicContact CB-CE1 4.06Å; C123-Y181 HydrophobicContact CB-CE2 4.14Å; C123-Y181 HydrophobicContact CB-CG 3.63Å; C123-Y181 VanDerWaalsContact O-CZ 3.26Å; C123-Y181 PolarHBondContact O-OH 3.13Å; I126-Y181 HydrophobicContact CD1-CE1 4.24Å; N145-Y181 HydrophobicContact CB-CE2 4.28Å; I146-Y181 PolarHBondContact O-N 3.11Å; I147-Y181 CarbonylContact C-O 3.53Å; I147-Y181 VanDerWaalsContact CA-O 3.3Å; I147-Y181 WeakPolarHBondContact CA-O 3.31Å; I147-Y181 WeakPolarHBondContact CG2-O 3.45Å; I148-Y181 PolarHBondContact N-O 2.92Å; Q179-Y181 HydrophobicContact CG-CE1 4.45Å; Q179-Y181 HydrophobicContact CG-CE2 3.78Å; Y181-T243 HydrophobicContact CD2-CG2 4.05Å; Y181-T243 HydrophobicContact CE2-CG2 4.23Å
182	I	96.6	Very high	95.1	Very high	24 Å²	24	37.5 Å²	37.5	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.9	-169.7	-58.2	174.6	0	0	0	107.9	I148 I150 A168 P180	I148-I182 HydrophobicContact CB-CG1 4.25Å; I148-I182 HydrophobicContact CD1-CG1 4.33Å; I148-I182 WeakPolarHBondContact O-CA 3.49Å; I150-I182 HydrophobicContact CD1-CG2 3.85Å; I150-I182 HydrophobicContact CG1-CG2 4.49Å; A168-I182 VanDerWaalsContact C-CD1 3.44Å; A168-I182 HydrophobicContact CB-CD1 4.43Å; A168-I182 HydrophobicContact CB-CG2 4.05Å; A168-I182 WeakPolarHBondContact O-CD1 3.31Å; P180-I182 HydrophobicContact CB-CD1 4.37Å; P180-I182 HydrophobicContact CB-CG1 4.12Å
183	Y	97.9	Very high	95.2	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.4	-178.5	-57.9	-62.8	0	0	0	111.6	P119 C123 I147 I148 F149 I150 D212 L214 Y235	P119-Y183 HydrophobicContact CB-CD1 4.39Å; P119-Y183 HydrophobicContact CB-CE1 3.79Å; P119-Y183 HydrophobicContact CG-CD1 3.5Å; P119-Y183 HydrophobicContact CG-CE1 3.36Å; C123-Y183 PolarHBondContact N-OH 2.77Å; I147-Y183 HydrophobicContact CG2-CD2 3.65Å; I147-Y183 HydrophobicContact CG2-CE2 3.94Å; I148-Y183 PolarHBondContact O-N 3.32Å; F149-Y183 WeakPolarHBondContact CA-O 3.28Å; F149-Y183 HydrophobicContact CD1-CD2 4.25Å; F149-Y183 AromaticContact CE1-CD2 3.75Å; F149-Y183 HydrophobicContact CE1-CD2 3.75Å; F149-Y183 HydrophobicContact CE1-CG 4.39Å; I150-Y183 PolarHBondContact N-O 2.77Å; Y183-D212 CarbonylContact C-O 3.52Å; Y183-D212 VanDerWaalsContact CA-O 3.28Å; Y183-D212 WeakPolarHBondContact CA-O 3.39Å; Y183-L214 VanDerWaalsContact CB-CD1 3.49Å; Y183-L214 HydrophobicContact CD2-CD1 4.13Å; Y183-L214 HydrophobicContact CG-CD1 3.84Å; Y183-L214 HydrophobicContact CG-CG 4.34Å; Y183-Y235 HydrophobicContact CD2-CE1 4.11Å; Y183-Y235 AromaticContact CE2-CE1 3.77Å; Y183-Y235 HydrophobicContact CE2-CE1 3.77Å
184	F	98.6	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119	173.4	-63.5	-80.7	0	0	0	110.1	I150 R160 L163 R164 D212 L213 L214	I150-F184 HydrophobicContact CB-CD1 3.76Å; I150-F184 HydrophobicContact CB-CE1 4.05Å; I150-F184 HydrophobicContact CD1-CD1 4.13Å; I150-F184 HydrophobicContact CD1-CE1 3.57Å; I150-F184 HydrophobicContact CD1-CZ 4.02Å; I150-F184 HydrophobicContact CG1-CD1 4.45Å; I150-F184 HydrophobicContact CG1-CE1 4.35Å; I150-F184 HydrophobicContact CG2-CD1 3.94Å; I150-F184 HydrophobicContact CG2-CE1 4.03Å; R160-F184 HydrophobicContact CB-CD1 4.27Å; R160-F184 HydrophobicContact CB-CE1 4.03Å; R160-F184 HydrophobicContact CB-CE2 4.3Å; R160-F184 HydrophobicContact CB-CG 4.49Å; R160-F184 HydrophobicContact CB-CZ 4.05Å; R160-F184 HydrophobicContact CG-CB 4.47Å; R160-F184 HydrophobicContact CG-CD1 3.58Å; R160-F184 HydrophobicContact CG-CD2 4.36Å; R160-F184 HydrophobicContact CG-CE1 3.79Å; R160-F184 HydrophobicContact CG-CG 3.89Å; R160-F184 HydrophobicContact CG-CZ 4.27Å; L163-F184 HydrophobicContact CB-CE1 4.02Å; L163-F184 HydrophobicContact CB-CZ 4Å; L163-F184 HydrophobicContact CD1-CE1 3.76Å; R164-F184 HydrophobicContact CG-CE2 3.94Å; R164-F184 HydrophobicContact CG-CZ 4.1Å; F184-D212 WeakPolarHBondContact CE2-OD2 3.47Å; F184-D212 PolarHBondContact N-O 3.24Å; F184-L213 HydrophobicContact CB-CD2 3.84Å; F184-L213 HydrophobicContact CD2-CD2 4.22Å; F184-L213 HydrophobicContact CG-CD2 4.41Å; F184-L214 PolarHBondContact O-N 3.14Å
185	T	98.6	Very high	95.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.1	-176.7	62.8	0	0	0	0	111	F149 I150 K151 S152 L214 T232	F149-T185 HydrophobicContact CB-CG2 4.11Å; F149-T185 HydrophobicContact CD1-CG2 3.85Å; F149-T185 HydrophobicContact CG-CG2 4.34Å; I150-T185 PolarHBondContact O-N 2.95Å; I150-T185 PolarHBondContact O-OG1 3.28Å; K151-T185 WeakPolarHBondContact CA-OG1 3.31Å; S152-T185 CarbonylContact C-O 3.38Å; S152-T185 PolarHBondContact N-O 2.81Å; S152-T185 VanDerWaalsContact N-O 3.1Å; T185-L214 CarbonylContact C-O 3.53Å; T185-L214 VanDerWaalsContact CA-O 3.29Å; T185-L214 WeakPolarHBondContact CA-O 3.34Å; T185-L214 HydrophobicContact CG2-CB 4.2Å; T185-L214 HydrophobicContact CG2-CD1 4.22Å; T185-T232 HydrophobicContact CG2-CG2 3.86Å; T185-T232 VanDerWaalsContact CG2-OG1 3.31Å; T185-T232 WeakPolarHBondContact CG2-OG1 3.47Å
186	L	98.5	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.4	-167.1	-50.5	172.4	0	0	0	111.6	L203 L213 L214 Q215 F216	L186-L203 HydrophobicContact CD1-CD2 3.84Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 4.05Å; L186-L213 HydrophobicContact CD1-CD2 4.11Å; L186-L213 HydrophobicContact CD1-CG 4.41Å; L186-L214 PolarHBondContact N-O 3.47Å; L186-Q215 HydrophobicContact CB-CB 4.31Å; L186-Q215 HydrophobicContact CB-CG 4.11Å; L186-Q215 WeakPolarHBondContact O-CA 3.46Å; L186-F216 PolarHBondContact O-N 2.92Å
187	G	98.4	Very high	96.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-162.2	158.4	0	0	0	0	0	111.8	Q215 F218 E220	G187-Q215 PolarHBondContact O-NE2 2.83Å; G187-F218 WeakPolarHBondContact CA-O 3.27Å; G187-E220 PolarHBondContact N-OE2 2.73Å
188	R	98.2	Very high	96.8	Very high	45 Å²	45	48.8 Å²	48.8	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	168	176.4	59.3	160.3	179	98.9	-8.8	112.8	I116 W194 N217 F218 E220	I116-R188 HydrophobicContact CD1-CB 4.31Å; R188-W194 HydrophobicContact CB-CD2 4.02Å; R188-W194 HydrophobicContact CB-CE3 3.72Å; R188-W194 HydrophobicContact CB-CZ3 4.09Å; R188-W194 HydrophobicContact CG-CD2 4.26Å; R188-W194 HydrophobicContact CG-CE3 4.42Å; R188-N217 WeakPolarHBondContact CD-OD1 3.36Å; R188-N217 PolarHBondContact NE-OD1 3.33Å; R188-F218 WeakPolarHBondContact CG-O 3.3Å; R188-F218 PolarHBondContact N-O 2.94Å; R188-E220 WeakPolarHBondContact O-CB 3.48Å; R188-E220 PolarHBondContact O-N 3Å
189	E	97.8	Very high	97	Very high	35 Å²	35	51 Å²	51	16%	0.164	27%	0.271	C	S	.	.			trans	-60.6	149.4	173.4	-76.9	-177.5	96.4	0	0	113.2	Y154 S191 W194 S197 I199	Y154-E189 HydrophobicContact CD1-CG 4.29Å; Y154-E189 HydrophobicContact CD2-CG 3.54Å; Y154-E189 HydrophobicContact CE1-CG 4.03Å; Y154-E189 HydrophobicContact CE2-CB 4.49Å; Y154-E189 HydrophobicContact CE2-CG 3.21Å; Y154-E189 HydrophobicContact CG-CG 4.06Å; Y154-E189 VanDerWaalsContact CZ-CG 3.48Å; E189-S191 PolarHBondContact O-N 2.93Å; E189-W194 HydrophobicContact CB-CB 3.96Å; E189-S197 WeakPolarHBondContact OE2-CB 3.37Å; E189-S197 PolarHBondContact OE2-OG 3.06Å; E189-I199 HydrophobicContact CG-CG2 4.37Å; E189-I199 WeakPolarHBondContact OE1-CD1 3.4Å; E189-I199 VanDerWaalsContact OE2-CB 3.3Å; E189-I199 WeakPolarHBondContact OE2-CB 2.97Å; E189-I199 WeakPolarHBondContact OE2-CG2 3.29Å
190	N	97.1	Very high	97.3	Very high	127 Å²	127	49.2 Å²	49.2	68%	0.679	26%	0.263	S	S	*	.	S	Bend	trans	-82.1	66.7	169.1	-167.1	16	0	0	0	110.8	I219	N190-I219 HydrophobicContact CB-CG2 3.57Å; N190-I219 WeakPolarHBondContact OD1-CD1 3.45Å
191	S	96.2	Very high	97.4	Very high	53 Å²	53	53 Å²	53	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	-140.6	148.4	176.2	174.5	0	0	0	0	109.3	E189 Q193 W194	E189-S191 PolarHBondContact O-N 2.93Å; S191-Q193 VanDerWaalsContact C-N 3.28Å; S191-Q193 PolarHBondContact OG-N 2.78Å; S191-W194 WeakPolarHBondContact O-CB 3.41Å; S191-W194 PolarHBondContact O-N 2.87Å
192	S	94.9	Very high	97.6	Very high	121 Å²	121	57 Å²	57	85%	0.846	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.2	172	51.4	0	0	0	0	112.1
193	Q	95.6	Very high	97.7	Very high	148 Å²	148	55.9 Å²	55.9	69%	0.692	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	18.1	179	-63.5	179.6	-12.2	0	0	113	S191 F195 N196 S197	S191-Q193 VanDerWaalsContact C-N 3.28Å; S191-Q193 PolarHBondContact OG-N 2.78Å; Q193-F195 PolarHBondContact O-N 3.38Å; Q193-N196 PolarHBondContact O-N 3.18Å; Q193-N196 VanDerWaalsContact O-N 3.07Å; Q193-S197 PolarHBondContact O-N 3.28Å
194	W	97.3	Very high	97.7	Very high	32 Å²	32	58.4 Å²	58.4	12%	0.121	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-51.2	-36.3	-173.8	69.4	-87.3	0	0	0	113.4	I116 R188 E189 S191 N196 S197 Q200	I116-W194 HydrophobicContact CD1-CH2 3.25Å; I116-W194 HydrophobicContact CD1-CZ2 4.15Å; I116-W194 HydrophobicContact CD1-CZ3 3.55Å; I116-W194 HydrophobicContact CG1-CH2 3.86Å; I116-W194 HydrophobicContact CG1-CZ3 4.44Å; I116-W194 HydrophobicContact CG2-CH2 4.23Å; I116-W194 HydrophobicContact CG2-CZ3 4.32Å; R188-W194 HydrophobicContact CB-CD2 4.02Å; R188-W194 HydrophobicContact CB-CE3 3.72Å; R188-W194 HydrophobicContact CB-CZ3 4.09Å; R188-W194 HydrophobicContact CG-CD2 4.26Å; R188-W194 HydrophobicContact CG-CE3 4.42Å; E189-W194 HydrophobicContact CB-CB 3.96Å; S191-W194 WeakPolarHBondContact O-CB 3.41Å; S191-W194 PolarHBondContact O-N 2.87Å; W194-N196 VanDerWaalsContact C-N 3.32Å; W194-N196 PolarHBondContact O-N 2.96Å; W194-S197 VanDerWaalsContact O-CB 3.26Å; W194-S197 WeakPolarHBondContact O-CB 3.34Å; W194-S197 PolarHBondContact O-N 3.27Å; W194-S197 PolarHBondContact O-OG 3.43Å; W194-Q200 HydrophobicContact CE3-CG 4.28Å; W194-Q200 HydrophobicContact CZ3-CG 4.21Å; W194-Q200 WeakPolarHBondContact O-CB 3.26Å
195	F	97	Very high	97.7	Very high	110 Å²	110	64.2 Å²	64.2	48%	0.482	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64	-35.3	-176.6	-170.5	-95.7	0	0	0	112.8	Q193 Q200 F204	Q193-F195 PolarHBondContact O-N 3.38Å; F195-Q200 WeakPolarHBondContact O-CG 3.3Å; F195-F204 HydrophobicContact CE2-CE2 4.43Å; F195-F204 AromaticContact CE2-CZ 3.98Å; F195-F204 HydrophobicContact CE2-CZ 3.98Å; F195-F204 HydrophobicContact CZ-CE2 4.49Å; F195-F204 HydrophobicContact CZ-CZ 4.16Å
196	N	97.1	Very high	97.7	Very high	127 Å²	127	65 Å²	65	68%	0.679	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-97.1	8.2	179.2	-66.4	-27.2	0	0	0	112.8	Q193 W194	Q193-N196 PolarHBondContact O-N 3.18Å; Q193-N196 VanDerWaalsContact O-N 3.07Å; W194-N196 VanDerWaalsContact C-N 3.32Å; W194-N196 PolarHBondContact O-N 2.96Å
197	S	97.8	Very high	97.6	Very high	24 Å²	24	65.6 Å²	65.6	17%	0.168	34%	0.339	C	S	.	.	S	Bend	trans	-68.1	152.9	-179.6	69.6	0	0	0	0	111.5	E189 Q193 W194 I199 Q200 I201	E189-S197 WeakPolarHBondContact OE2-CB 3.37Å; E189-S197 PolarHBondContact OE2-OG 3.06Å; Q193-S197 PolarHBondContact O-N 3.28Å; W194-S197 VanDerWaalsContact O-CB 3.26Å; W194-S197 WeakPolarHBondContact O-CB 3.34Å; W194-S197 PolarHBondContact O-N 3.27Å; W194-S197 PolarHBondContact O-OG 3.43Å; S197-I199 PolarHBondContact O-N 3.01Å; S197-Q200 PolarHBondContact O-N 3.36Å; S197-Q200 VanDerWaalsContact OG-CB 3.25Å; S197-Q200 WeakPolarHBondContact OG-CB 3.47Å; S197-Q200 PolarHBondContact OG-N 2.94Å; S197-I201 WeakPolarHBondContact O-CG1 2.85Å; S197-I201 PolarHBondContact O-N 3.21Å
198	T	97.9	Very high	97.6	Very high	99 Å²	99	73.1 Å²	73.1	61%	0.607	37%	0.374	S	S	*	.	H	α-helix	trans	-57	-32.7	171.9	-51.4	0	0	0	0	112.3	K202	T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 2.81Å; T198-K202 VanDerWaalsContact O-N 3.11Å
199	I	98.2	Very high	97.5	Very high	47 Å²	47	77.9 Å²	77.9	24%	0.241	40%	0.398	C	S	.	.	H	α-helix	trans	-70.1	-45.5	178.8	-76.6	170.6	0	0	0	110.6	Y154 F157 E189 S197 I201 K202 L203	Y154-I199 HydrophobicContact CD2-CG2 3.61Å; Y154-I199 HydrophobicContact CE2-CD1 4.2Å; Y154-I199 HydrophobicContact CE2-CG2 4.26Å; F157-I199 HydrophobicContact CE2-CG2 4.44Å; F157-I199 HydrophobicContact CZ-CG2 4.37Å; E189-I199 HydrophobicContact CG-CG2 4.37Å; E189-I199 WeakPolarHBondContact OE1-CD1 3.4Å; E189-I199 VanDerWaalsContact OE2-CB 3.3Å; E189-I199 WeakPolarHBondContact OE2-CB 2.97Å; E189-I199 WeakPolarHBondContact OE2-CG2 3.29Å; S197-I199 PolarHBondContact O-N 3.01Å; I199-I201 VanDerWaalsContact C-N 3.35Å; I199-I201 PolarHBondContact O-N 2.76Å; I199-K202 WeakPolarHBondContact O-CB 3.45Å; I199-K202 PolarHBondContact O-N 3.03Å; I199-L203 PolarHBondContact O-N 2.8Å
200	Q	98.5	Very high	97.5	Very high	2 Å²	2	78.6 Å²	78.6	1%	0.009	40%	0.401	C	S	.	.	H	α-helix	trans	-65.5	-38.8	178	-173.1	62.2	44.1	0	0	111.6	W194 F195 S197 K202 L203 F204	W194-Q200 HydrophobicContact CE3-CG 4.28Å; W194-Q200 HydrophobicContact CZ3-CG 4.21Å; W194-Q200 WeakPolarHBondContact O-CB 3.26Å; F195-Q200 WeakPolarHBondContact O-CG 3.3Å; S197-Q200 PolarHBondContact O-N 3.36Å; S197-Q200 VanDerWaalsContact OG-CB 3.25Å; S197-Q200 WeakPolarHBondContact OG-CB 3.47Å; S197-Q200 PolarHBondContact OG-N 2.94Å; Q200-K202 VanDerWaalsContact C-N 3.31Å; Q200-K202 PolarHBondContact O-N 3.16Å; Q200-L203 WeakPolarHBondContact O-CB 3.2Å; Q200-L203 PolarHBondContact O-N 3.12Å; Q200-L203 VanDerWaalsContact O-N 3.12Å; Q200-F204 HydrophobicContact CG-CD2 4.03Å; Q200-F204 HydrophobicContact CG-CE2 3.58Å; Q200-F204 HydrophobicContact CG-CZ 4.38Å; Q200-F204 WeakPolarHBondContact O-CD2 3.28Å; Q200-F204 PolarHBondContact O-N 3.28Å
201	I	98.3	Very high	97.4	Very high	85 Å²	85	74.2 Å²	74.2	44%	0.436	38%	0.378	S	S	.	.	H	α-helix	trans	-58	-43.7	172.1	-66.2	166.1	0	0	0	111	S197 I199 L203 F204 Q205	S197-I201 WeakPolarHBondContact O-CG1 2.85Å; S197-I201 PolarHBondContact O-N 3.21Å; I199-I201 VanDerWaalsContact C-N 3.35Å; I199-I201 PolarHBondContact O-N 2.76Å; I201-L203 VanDerWaalsContact C-N 3.35Å; I201-L203 PolarHBondContact O-N 2.83Å; I201-F204 WeakPolarHBondContact O-CB 3.3Å; I201-F204 PolarHBondContact O-N 2.61Å; I201-Q205 WeakPolarHBondContact O-CG 3.43Å; I201-Q205 PolarHBondContact O-N 3.22Å
202	K	98.5	Very high	97.4	Very high	107 Å²	107	72.6 Å²	72.6	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-35.4	175.1	-74.3	175.7	178.8	-177.9	0	112.9	F157 T198 I199 Q200 Q205 E206	F157-K202 HydrophobicContact CE1-CB 3.75Å; F157-K202 HydrophobicContact CZ-CB 3.71Å; T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 2.81Å; T198-K202 VanDerWaalsContact O-N 3.11Å; I199-K202 WeakPolarHBondContact O-CB 3.45Å; I199-K202 PolarHBondContact O-N 3.03Å; Q200-K202 VanDerWaalsContact C-N 3.31Å; Q200-K202 PolarHBondContact O-N 3.16Å; K202-Q205 PolarHBondContact O-N 3Å; K202-E206 WeakPolarHBondContact O-CB 3.45Å; K202-E206 PolarHBondContact O-N 3.27Å
203	L	98.7	Very high	97.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-41.2	173.5	-76.2	172.7	0	0	0	111.6	L117 F157 L186 I199 Q200 I201 Q205 E206 H207 L213	L117-L203 HydrophobicContact CD1-CB 4.4Å; F157-L203 HydrophobicContact CE1-CD2 3.68Å; F157-L203 HydrophobicContact CE1-CG 3.92Å; F157-L203 HydrophobicContact CZ-CD2 3.89Å; F157-L203 HydrophobicContact CZ-CG 3.8Å; L186-L203 HydrophobicContact CD1-CD2 3.84Å; I199-L203 PolarHBondContact O-N 2.8Å; Q200-L203 WeakPolarHBondContact O-CB 3.2Å; Q200-L203 PolarHBondContact O-N 3.12Å; Q200-L203 VanDerWaalsContact O-N 3.12Å; I201-L203 VanDerWaalsContact C-N 3.35Å; I201-L203 PolarHBondContact O-N 2.83Å; L203-Q205 VanDerWaalsContact C-N 3.32Å; L203-Q205 PolarHBondContact O-N 2.98Å; L203-E206 PolarHBondContact O-N 2.86Å; L203-H207 VanDerWaalsContact O-CB 3.27Å; L203-H207 WeakPolarHBondContact O-CB 3.24Å; L203-H207 PolarHBondContact O-N 3.18Å; L203-L213 HydrophobicContact CD2-CD1 3.91Å
204	F	98.3	Very high	97.7	Very high	64 Å²	64	59.8 Å²	59.8	28%	0.281	29%	0.292	S	S	.	.	H	α-helix	trans	-58.9	-44.9	172.9	-76.2	-64.9	0	0	0	111.1	L117 F195 Q200 I201 H207 Q208	L117-F204 HydrophobicContact CD2-CD1 3.59Å; L117-F204 HydrophobicContact CD2-CE1 3.5Å; L117-F204 HydrophobicContact CG-CE1 4.39Å; F195-F204 HydrophobicContact CE2-CE2 4.43Å; F195-F204 AromaticContact CE2-CZ 3.98Å; F195-F204 HydrophobicContact CE2-CZ 3.98Å; F195-F204 HydrophobicContact CZ-CE2 4.49Å; F195-F204 HydrophobicContact CZ-CZ 4.16Å; Q200-F204 HydrophobicContact CG-CD2 4.03Å; Q200-F204 HydrophobicContact CG-CE2 3.58Å; Q200-F204 HydrophobicContact CG-CZ 4.38Å; Q200-F204 WeakPolarHBondContact O-CD2 3.28Å; Q200-F204 PolarHBondContact O-N 3.28Å; I201-F204 WeakPolarHBondContact O-CB 3.3Å; I201-F204 PolarHBondContact O-N 2.61Å; F204-H207 PolarHBondContact O-N 2.63Å; F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.23Å
205	Q	98.4	Very high	97.8	Very high	123 Å²	123	58.2 Å²	58.2	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-61.7	-48.1	176.1	-69.2	171.6	-22.1	0	0	112.4	I201 K202 L203 H207 Q208 E209	I201-Q205 WeakPolarHBondContact O-CG 3.43Å; I201-Q205 PolarHBondContact O-N 3.22Å; K202-Q205 PolarHBondContact O-N 3Å; L203-Q205 VanDerWaalsContact C-N 3.32Å; L203-Q205 PolarHBondContact O-N 2.98Å; Q205-H207 VanDerWaalsContact C-N 3.27Å; Q205-H207 PolarHBondContact O-N 3.17Å; Q205-Q208 PolarHBondContact O-N 3.35Å; Q205-E209 PolarHBondContact O-N 3.13Å
206	E	98.5	Very high	97.8	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-40.1	176.4	-175.5	-175.8	-179.6	0	0	111.6	F157 R160 R164 K202 L203 E209 H210 L213	F157-E206 WeakPolarHBondContact CD1-OE2 3.3Å; F157-E206 WeakPolarHBondContact CE1-OE2 3.45Å; R160-E206 WeakPolarHBondContact CD-OE1 3.19Å; R160-E206 IonicContact CZ-OE1 3.32Å; R160-E206 IonicContact CZ-OE2 3.23Å; R160-E206 VanDerWaalsContact CZ-OE2 3.28Å; R160-E206 VanDerWaalsContact NE-CD 3.34Å; R160-E206 IonicContact NE-OE1 2.84Å; R160-E206 PolarHBondContact NE-OE1 2.9Å; R160-E206 IonicContact NE-OE2 2.92Å; R160-E206 PolarHBondContact NE-OE2 2.84Å; R160-E206 IonicContact NH2-OE1 2.84Å; R160-E206 IonicContact NH2-OE2 3.94Å; R160-E206 PolarHBondContact NH2-OE2 3.06Å; R164-E206 IonicContact CZ-OE1 3.28Å; R164-E206 VanDerWaalsContact CZ-OE1 3.32Å; R164-E206 IonicContact NH1-OE1 3.05Å; R164-E206 PolarHBondContact NH1-OE1 3.33Å; R164-E206 IonicContact NH2-OE1 2.7Å; R164-E206 PolarHBondContact NH2-OE1 3.18Å; K202-E206 WeakPolarHBondContact O-CB 3.45Å; K202-E206 PolarHBondContact O-N 3.27Å; L203-E206 PolarHBondContact O-N 2.86Å; E206-E209 PolarHBondContact O-N 3.27Å; E206-H210 PolarHBondContact O-N 3.18Å; E206-L213 HydrophobicContact CB-CD1 4.2Å; E206-L213 HydrophobicContact CG-CD1 4.13Å
207	H	97.9	Very high	97.8	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-40	177.6	-176.2	69.7	0	0	0	112.4	L117 L118 L203 F204 Q205 E209 N211 L213	L117-H207 HydrophobicContact CD1-CB 3.94Å; L117-H207 HydrophobicContact CD2-CB 4.43Å; L118-H207 PolarHBondContact O-CE1 2.91Å; L118-H207 VanDerWaalsContact O-CE1 3.26Å; L118-H207 PolarHBondContact O-NE2 2.79Å; L203-H207 VanDerWaalsContact O-CB 3.27Å; L203-H207 WeakPolarHBondContact O-CB 3.24Å; L203-H207 PolarHBondContact O-N 3.18Å; F204-H207 PolarHBondContact O-N 2.63Å; Q205-H207 VanDerWaalsContact C-N 3.27Å; Q205-H207 PolarHBondContact O-N 3.17Å; H207-E209 VanDerWaalsContact C-N 3.29Å; H207-E209 PolarHBondContact O-N 2.88Å; H207-N211 WeakPolarHBondContact O-CA 3.41Å; H207-N211 PolarHBondContact O-N 3.18Å; H207-L213 HydrophobicContact CB-CB 4.46Å; H207-L213 HydrophobicContact CB-CD1 4.09Å; H207-L213 HydrophobicContact CB-CG 4.35Å
208	Q	97.3	Very high	97.8	Very high	158 Å²	158	49 Å²	49	74%	0.738	24%	0.239	S	C	*	.	H	α-helix	trans	-64.2	-35.4	173.7	-68.3	-60.9	-56.2	0	0	111.9	F204 Q205	F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.23Å; Q205-Q208 PolarHBondContact O-N 3.35Å
209	E	97	Very high	97.8	Very high	145 Å²	145	46.6 Å²	46.6	68%	0.678	22%	0.222	S	C	*	.	H	α-helix	trans	-74.8	-42.8	-179.6	-172.1	-179.1	169.9	0	0	113.1	Q205 E206 H207	Q205-E209 PolarHBondContact O-N 3.13Å; E206-E209 PolarHBondContact O-N 3.27Å; H207-E209 VanDerWaalsContact C-N 3.29Å; H207-E209 PolarHBondContact O-N 2.88Å
210	H	96.4	Very high	97.8	Very high	50 Å²	50	45.7 Å²	45.7	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-112.8	-21	-170.6	-60.6	-49.8	0	0	0	114.9	Q161 R164 E206 D212	Q161-H210 PolarHBondContact OE1-NE2 3.43Å; Q161-H210 VanDerWaalsContact OE1-NE2 3.11Å; R164-H210 PolarHBondContact NH1-CD2 2.92Å; R164-H210 VanDerWaalsContact NH1-CD2 3.26Å; E206-H210 PolarHBondContact O-N 3.18Å; H210-D212 WeakPolarHBondContact CB-OD1 3.11Å; H210-D212 PolarHBondContact O-N 3.16Å; H210-D212 VanDerWaalsContact O-N 3.15Å
211	N	96	Very high	97.5	Very high	35 Å²	35	49 Å²	49	19%	0.187	24%	0.235	C	C	.	.			trans	51.6	34	179.8	-160.3	36.6	0	0	0	114.6	P119 S120 S121 H207	P119-N211 WeakPolarHBondContact CA-OD1 3.46Å; P119-N211 VanDerWaalsContact CB-O 3.32Å; P119-N211 WeakPolarHBondContact CB-O 3.49Å; S120-N211 PolarHBondContact N-ND2 3.05Å; S120-N211 PolarHBondContact N-OD1 2.96Å; S120-N211 PolarHBondContact OG-ND2 2.94Å; S120-N211 PolarHBondContact OG-OD1 3.32Å; S121-N211 PolarHBondContact N-ND2 3.27Å; S121-N211 PolarHBondContact OG-ND2 2.99Å; S121-N211 VanDerWaalsContact OG-ND2 3.12Å; H207-N211 WeakPolarHBondContact O-CA 3.41Å; H207-N211 PolarHBondContact O-N 3.18Å
212	D	96.8	Very high	97.1	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.102	23%	0.231	C	C	.	.			trans	-125.3	9.1	-173.5	65.8	-1.1	0	0	0	113.5	R164 Y183 F184 H210	R164-D212 IonicContact CZ-OD1 3.81Å; R164-D212 IonicContact CZ-OD2 3.34Å; R164-D212 IonicContact NE-OD1 2.83Å; R164-D212 IonicContact NE-OD2 2.73Å; R164-D212 PolarHBondContact NE-OD2 2.91Å; R164-D212 VanDerWaalsContact NH2-CG 3.34Å; R164-D212 IonicContact NH2-OD1 3.93Å; R164-D212 PolarHBondContact NH2-OD1 3.27Å; R164-D212 IonicContact NH2-OD2 3.13Å; R164-D212 PolarHBondContact NH2-OD2 3.21Å; R164-D212 VanDerWaalsContact NH2-OD2 3.13Å; Y183-D212 CarbonylContact C-O 3.52Å; Y183-D212 VanDerWaalsContact CA-O 3.28Å; Y183-D212 WeakPolarHBondContact CA-O 3.39Å; F184-D212 WeakPolarHBondContact CE2-OD2 3.47Å; F184-D212 PolarHBondContact N-O 3.24Å; H210-D212 WeakPolarHBondContact CB-OD1 3.11Å; H210-D212 PolarHBondContact O-N 3.16Å; H210-D212 VanDerWaalsContact O-N 3.15Å
213	L	98.2	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.1	178.1	-55.1	-169.1	0	0	0	111.3	L117 P119 F184 L186 L203 E206 H207	L117-L213 HydrophobicContact CD1-CD1 4.45Å; P119-L213 WeakPolarHBondContact CD-O 3.28Å; F184-L213 HydrophobicContact CB-CD2 3.84Å; F184-L213 HydrophobicContact CD2-CD2 4.22Å; F184-L213 HydrophobicContact CG-CD2 4.41Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 4.05Å; L186-L213 HydrophobicContact CD1-CD2 4.11Å; L186-L213 HydrophobicContact CD1-CG 4.41Å; L203-L213 HydrophobicContact CD2-CD1 3.91Å; E206-L213 HydrophobicContact CB-CD1 4.2Å; E206-L213 HydrophobicContact CG-CD1 4.13Å; H207-L213 HydrophobicContact CB-CB 4.46Å; H207-L213 HydrophobicContact CB-CD1 4.09Å; H207-L213 HydrophobicContact CB-CG 4.35Å
214	L	98	Very high	96.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	92.7	167.7	-72.3	171.3	0	0	0	108.6	L117 L118 P119 F149 Y183 F184 T185 L186 F216 Y235	L117-L214 WeakPolarHBondContact O-CA 3.47Å; L118-L214 HydrophobicContact CD2-CD2 3.45Å; L118-L214 VanDerWaalsContact CD2-CD2 3.45Å; P119-L214 HydrophobicContact CG-CD2 4.06Å; P119-L214 HydrophobicContact CG-CG 4.32Å; F149-L214 HydrophobicContact CD1-CD1 3.82Å; F149-L214 HydrophobicContact CE1-CD1 3.4Å; F149-L214 VanDerWaalsContact CE1-CD1 3.4Å; Y183-L214 VanDerWaalsContact CB-CD1 3.49Å; Y183-L214 HydrophobicContact CD2-CD1 4.13Å; Y183-L214 HydrophobicContact CG-CD1 3.84Å; Y183-L214 HydrophobicContact CG-CG 4.34Å; F184-L214 PolarHBondContact O-N 3.14Å; T185-L214 CarbonylContact C-O 3.53Å; T185-L214 VanDerWaalsContact CA-O 3.29Å; T185-L214 WeakPolarHBondContact CA-O 3.34Å; T185-L214 HydrophobicContact CG2-CB 4.2Å; T185-L214 HydrophobicContact CG2-CD1 4.22Å; L186-L214 PolarHBondContact N-O 3.47Å; L214-F216 HydrophobicContact CB-CE2 4.25Å; L214-F216 HydrophobicContact CB-CZ 4.41Å; L214-Y235 HydrophobicContact CD1-CD1 3.64Å; L214-Y235 HydrophobicContact CD1-CE1 3.96Å; L214-Y235 HydrophobicContact CD1-CG 4.09Å; L214-Y235 HydrophobicContact CD2-CD1 3.82Å; L214-Y235 HydrophobicContact CD2-CD2 3.57Å; L214-Y235 HydrophobicContact CD2-CE1 3.89Å; L214-Y235 HydrophobicContact CD2-CE2 3.63Å; L214-Y235 HydrophobicContact CD2-CG 3.66Å; L214-Y235 HydrophobicContact CG-CD1 4.41Å; L214-Y235 HydrophobicContact CG-CE1 4.5Å
215	Q	98.5	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.2	180	-167.9	-175.8	14.3	0	0	110.5	I116 L117 L186 G187	I116-Q215 HydrophobicContact CB-CB 4.24Å; I116-Q215 HydrophobicContact CB-CG 4.16Å; I116-Q215 HydrophobicContact CD1-CG 4.05Å; I116-Q215 PolarHBondContact N-O 2.96Å; L117-Q215 HydrophobicContact CB-CB 3.76Å; L117-Q215 HydrophobicContact CD1-CB 4.19Å; L117-Q215 VanDerWaalsContact CD1-OE1 3.27Å; L117-Q215 HydrophobicContact CG-CB 4.11Å; L117-Q215 PolarHBondContact N-O 3.03Å; L117-Q215 PolarHBondContact O-N 2.94Å; L186-Q215 HydrophobicContact CB-CB 4.31Å; L186-Q215 HydrophobicContact CB-CG 4.11Å; L186-Q215 WeakPolarHBondContact O-CA 3.46Å; G187-Q215 PolarHBondContact O-NE2 2.83Å
216	F	98.3	Very high	96.3	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.2	179.5	-60.2	-75.4	0	0	0	112	I113 E114 P115 L186 L214 F218 G231	I113-F216 HydrophobicContact CG2-CB 3.66Å; I113-F216 HydrophobicContact CG2-CD1 3.89Å; I113-F216 HydrophobicContact CG2-CG 3.89Å; E114-F216 CarbonylContact O-C 3.58Å; E114-F216 WeakPolarHBondContact O-CA 3.46Å; P115-F216 HydrophobicContact CB-CD1 4.41Å; L186-F216 PolarHBondContact O-N 2.92Å; L214-F216 HydrophobicContact CB-CE2 4.25Å; L214-F216 HydrophobicContact CB-CZ 4.41Å; F216-F218 HydrophobicContact CB-CD1 3.62Å; F216-F218 HydrophobicContact CB-CE1 3.57Å; F216-F218 HydrophobicContact CD2-CE1 4.19Å; F216-F218 HydrophobicContact CG-CE1 4.28Å; F216-F218 PolarHBondContact O-N 3.04Å; F216-G231 VanDerWaalsContact CZ-O 3.26Å; F216-G231 WeakPolarHBondContact CZ-O 3.33Å
217	N	97.3	Very high	96.2	Very high	51 Å²	51	46.4 Å²	46.4	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	64.6	-178.6	-169.5	9	0	0	0	112.6	E114 I116 R188	E114-N217 HydrophobicContact CB-CB 4.09Å; E114-N217 HydrophobicContact CG-CB 4.31Å; E114-N217 PolarHBondContact O-N 2.82Å; E114-N217 PolarHBondContact OE2-ND2 3.06Å; I116-N217 HydrophobicContact CD1-CB 3.93Å; I116-N217 HydrophobicContact CG1-CB 3.9Å; R188-N217 WeakPolarHBondContact CD-OD1 3.36Å; R188-N217 PolarHBondContact NE-OD1 3.33Å
218	F	97	Very high	96.2	Very high	10 Å²	10	46 Å²	46	4%	0.044	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.6	166.2	68.9	-95.9	0	0	0	110.3	I113 G187 R188 F216 E220 N224 R227 K228	I113-F218 HydrophobicContact CG2-CD1 4Å; G187-F218 WeakPolarHBondContact CA-O 3.27Å; R188-F218 WeakPolarHBondContact CG-O 3.3Å; R188-F218 PolarHBondContact N-O 2.94Å; F216-F218 HydrophobicContact CB-CD1 3.62Å; F216-F218 HydrophobicContact CB-CE1 3.57Å; F216-F218 HydrophobicContact CD2-CE1 4.19Å; F216-F218 HydrophobicContact CG-CE1 4.28Å; F216-F218 PolarHBondContact O-N 3.04Å; F218-E220 PolarHBondContact O-N 3.49Å; F218-N224 HydrophobicContact CD2-CB 3.83Å; F218-N224 HydrophobicContact CE2-CB 4.22Å; F218-R227 HydrophobicContact CB-CB 4.39Å; F218-R227 HydrophobicContact CD1-CB 3.92Å; F218-R227 HydrophobicContact CD2-CB 4.42Å; F218-R227 HydrophobicContact CE1-CB 4.35Å; F218-R227 HydrophobicContact CG-CB 3.98Å; F218-K228 HydrophobicContact CE1-CB 4.01Å; F218-K228 HydrophobicContact CE2-CB 4.45Å; F218-K228 HydrophobicContact CZ-CB 3.57Å; F218-K228 HydrophobicContact CZ-CD 4.47Å; F218-K228 HydrophobicContact CZ-CG 4.05Å
219	I	97.9	Very high	96.2	Very high	50 Å²	50	38.8 Å²	38.8	26%	0.256	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	120	176.8	-65.7	162.6	0	0	0	109.3	N190 N221 N224	N190-I219 HydrophobicContact CB-CG2 3.57Å; N190-I219 WeakPolarHBondContact OD1-CD1 3.45Å; I219-N221 PolarHBondContact O-N 3.33Å; I219-N224 PolarHBondContact O-ND2 2.87Å
220	E	97.2	Very high	96.2	Very high	28 Å²	28	31.9 Å²	31.9	13%	0.131	15%	0.146	C	C	.	.			trans	-61.1	111.4	176.3	-172.3	69.6	-97.8	0	0	109.8	T153 Y154 G187 R188 F218 K228	T153-E220 HydrophobicContact CG2-CG 3.89Å; Y154-E220 HydrophobicContact CD1-CB 3.53Å; Y154-E220 HydrophobicContact CD1-CG 3.89Å; Y154-E220 HydrophobicContact CE1-CB 3.76Å; Y154-E220 HydrophobicContact CE1-CG 4.19Å; G187-E220 PolarHBondContact N-OE2 2.73Å; R188-E220 WeakPolarHBondContact O-CB 3.48Å; R188-E220 PolarHBondContact O-N 3Å; F218-E220 PolarHBondContact O-N 3.49Å; E220-K228 WeakPolarHBondContact OE1-CE 3.28Å; E220-K228 IonicContact OE1-NZ 3.67Å; E220-K228 PolarHBondContact OE1-NZ 2.86Å; E220-K228 IonicContact OE2-NZ 3.69Å; E220-K228 PolarHBondContact OE2-NZ 3.2Å
221	N	94	Very high	96.2	Very high	71 Å²	71	29.6 Å²	29.6	38%	0.38	14%	0.136	S	C	.	.			trans	-159.1	145	-177.3	-172.3	-62	0	0	0	108	I219 Y223 N224	I219-N221 PolarHBondContact O-N 3.33Å; N221-Y223 PolarHBondContact O-N 1.98Å; N221-Y223 VanDerWaalsContact OD1-CD2 3.24Å; N221-Y223 WeakPolarHBondContact OD1-CD2 3.34Å; N221-Y223 PolarHBondContact OD1-N 3.41Å; N221-N224 HydrophobicContact CB-CB 4.4Å; N221-N224 WeakPolarHBondContact O-CA 3.38Å; N221-N224 WeakPolarHBondContact O-CB 3.31Å; N221-N224 PolarHBondContact O-N 3.22Å
222	Y	88.5	Confident	96.3	Very high	94 Å²	94	28 Å²	28	37%	0.369	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-51.4	-39.1	175.2	-174.7	-103.7	0	0	0	113.1	N224 L225 W294 F337	Y222-N224 PolarHBondContact O-N 2.71Å; Y222-L225 HydrophobicContact CD2-CD1 3.59Å; Y222-L225 HydrophobicContact CD2-CG 4.47Å; Y222-L225 HydrophobicContact CE2-CD1 3.56Å; Y222-L225 HydrophobicContact CG-CD1 4.36Å; Y222-L225 VanDerWaalsContact O-CG 3.22Å; Y222-L225 WeakPolarHBondContact O-CG 3.11Å; Y222-L225 PolarHBondContact O-N 3.07Å; Y222-W294 PolarHBondContact OH-NE1 3.4Å; Y222-F337 AromaticContact CE1-CD1 3.99Å; Y222-F337 HydrophobicContact CE1-CD1 3.99Å; Y222-F337 AromaticContact CE1-CE1 3.89Å; Y222-F337 HydrophobicContact CE1-CE1 3.89Å
223	Y	90.8	Very high	96.3	Very high	113 Å²	113	27.1 Å²	27.1	44%	0.443	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-73.1	-5.6	178.2	-63	-78.8	0	0	0	114.2	N221 P336	N221-Y223 PolarHBondContact O-N 1.98Å; N221-Y223 VanDerWaalsContact OD1-CD2 3.24Å; N221-Y223 WeakPolarHBondContact OD1-CD2 3.34Å; N221-Y223 PolarHBondContact OD1-N 3.41Å; Y223-P336 HydrophobicContact CD1-CB 3.69Å; Y223-P336 HydrophobicContact CD1-CG 3.84Å; Y223-P336 HydrophobicContact CE1-CB 4.4Å
224	N	95.8	Very high	96.2	Very high	29 Å²	29	28.5 Å²	28.5	16%	0.155	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-107.4	8	178.3	-70.4	-30	0	0	0	113.3	F218 I219 N221 Y222 T226 R227 K228	F218-N224 HydrophobicContact CD2-CB 3.83Å; F218-N224 HydrophobicContact CE2-CB 4.22Å; I219-N224 PolarHBondContact O-ND2 2.87Å; N221-N224 HydrophobicContact CB-CB 4.4Å; N221-N224 WeakPolarHBondContact O-CA 3.38Å; N221-N224 WeakPolarHBondContact O-CB 3.31Å; N221-N224 PolarHBondContact O-N 3.22Å; Y222-N224 PolarHBondContact O-N 2.71Å; N224-T226 PolarHBondContact O-N 3.38Å; N224-R227 WeakPolarHBondContact O-CB 3.27Å; N224-R227 PolarHBondContact O-N 2.95Å; N224-R227 PolarHBondContact OD1-NH1 3.34Å; N224-K228 PolarHBondContact O-N 3.18Å
225	L	95.4	Very high	96.1	Very high	20 Å²	20	28.7 Å²	28.7	11%	0.105	13%	0.13	C	C	.	.	H	α-helix	trans	-55.2	-35.5	178.9	-73	175	0	0	0	113.1	Y222 R227 K228 L229 D338	Y222-L225 HydrophobicContact CD2-CD1 3.59Å; Y222-L225 HydrophobicContact CD2-CG 4.47Å; Y222-L225 HydrophobicContact CE2-CD1 3.56Å; Y222-L225 HydrophobicContact CG-CD1 4.36Å; Y222-L225 VanDerWaalsContact O-CG 3.22Å; Y222-L225 WeakPolarHBondContact O-CG 3.11Å; Y222-L225 PolarHBondContact O-N 3.07Å; L225-R227 VanDerWaalsContact C-N 3.3Å; L225-R227 PolarHBondContact O-N 2.65Å; L225-K228 CarbonylContact O-C 3.57Å; L225-K228 WeakPolarHBondContact O-CA 3.15Å; L225-K228 VanDerWaalsContact O-CB 3.22Å; L225-K228 WeakPolarHBondContact O-CB 3.31Å; L225-K228 PolarHBondContact O-N 3.18Å; L225-L229 PolarHBondContact O-N 3.31Å; L225-D338 HydrophobicContact CB-CB 4.17Å
226	T	94.8	Very high	95.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-35.9	174.9	-65.1	0	0	0	0	113.5	N224 K228 L229 I230 L334 F335 L341	N224-T226 PolarHBondContact O-N 3.38Å; T226-K228 VanDerWaalsContact C-N 3.31Å; T226-L229 PolarHBondContact O-N 3.33Å; T226-I230 HydrophobicContact CG2-CD1 3.9Å; T226-I230 HydrophobicContact CG2-CG1 4.42Å; T226-I230 VanDerWaalsContact O-CG1 3.31Å; T226-I230 WeakPolarHBondContact O-CG1 3.49Å; T226-I230 PolarHBondContact O-N 2.86Å; T226-L334 HydrophobicContact CG2-CD2 3.87Å; T226-F335 VanDerWaalsContact CB-O 3.26Å; T226-F335 WeakPolarHBondContact CB-O 3.03Å; T226-F335 PolarHBondContact OG1-O 3.06Å; T226-L341 HydrophobicContact CG2-CD1 3.23Å; T226-L341 WeakPolarHBondContact OG1-CD1 3.38Å
227	R	97	Very high	95.7	Very high	82 Å²	82	29.5 Å²	29.5	31%	0.309	13%	0.134	S	C	.	.	H	α-helix	trans	-63.9	-42.5	174.6	-68.3	-177.5	167.7	85.5	-2.6	110.2	I113 F218 N224 L225 I230 G231 L334	I113-R227 HydrophobicContact CD1-CB 3.76Å; I113-R227 HydrophobicContact CD1-CG 3.79Å; I113-R227 HydrophobicContact CG1-CB 4.43Å; F218-R227 HydrophobicContact CB-CB 4.39Å; F218-R227 HydrophobicContact CD1-CB 3.92Å; F218-R227 HydrophobicContact CD2-CB 4.42Å; F218-R227 HydrophobicContact CE1-CB 4.35Å; F218-R227 HydrophobicContact CG-CB 3.98Å; N224-R227 WeakPolarHBondContact O-CB 3.27Å; N224-R227 PolarHBondContact O-N 2.95Å; N224-R227 PolarHBondContact OD1-NH1 3.34Å; L225-R227 VanDerWaalsContact C-N 3.3Å; L225-R227 PolarHBondContact O-N 2.65Å; R227-I230 PolarHBondContact O-N 2.8Å; R227-G231 PolarHBondContact O-N 2.91Å; R227-L334 HydrophobicContact CG-CD1 4.12Å; R227-L334 HydrophobicContact CG-CD2 4.39Å
228	K	97.7	Very high	95.5	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-48.2	173.5	-166.9	174.9	-70.9	-177.1	0	111.3	K151 S152 F218 E220 N224 L225 T226 I230 G231 T232	K151-K228 HydrophobicContact CB-CD 4.47Å; K151-K228 HydrophobicContact CG-CD 4.26Å; S152-K228 PolarHBondContact O-NZ 2.87Å; F218-K228 HydrophobicContact CE1-CB 4.01Å; F218-K228 HydrophobicContact CE2-CB 4.45Å; F218-K228 HydrophobicContact CZ-CB 3.57Å; F218-K228 HydrophobicContact CZ-CD 4.47Å; F218-K228 HydrophobicContact CZ-CG 4.05Å; E220-K228 WeakPolarHBondContact OE1-CE 3.28Å; E220-K228 IonicContact OE1-NZ 3.67Å; E220-K228 PolarHBondContact OE1-NZ 2.86Å; E220-K228 IonicContact OE2-NZ 3.69Å; E220-K228 PolarHBondContact OE2-NZ 3.2Å; N224-K228 PolarHBondContact O-N 3.18Å; L225-K228 CarbonylContact O-C 3.57Å; L225-K228 WeakPolarHBondContact O-CA 3.15Å; L225-K228 VanDerWaalsContact O-CB 3.22Å; L225-K228 WeakPolarHBondContact O-CB 3.31Å; L225-K228 PolarHBondContact O-N 3.18Å; T226-K228 VanDerWaalsContact C-N 3.31Å; K228-I230 PolarHBondContact O-N 3.07Å; K228-G231 PolarHBondContact O-N 3Å; K228-T232 WeakPolarHBondContact O-CB 3.21Å; K228-T232 PolarHBondContact O-N 3.17Å; K228-T232 PolarHBondContact O-OG1 3.13Å
229	L	97.6	Very high	95.3	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-49.6	177.4	176.3	65.6	0	0	0	111.8	L225 T226 T232 I233 I248 L329 D338 I342	L225-L229 PolarHBondContact O-N 3.31Å; T226-L229 PolarHBondContact O-N 3.33Å; L229-T232 PolarHBondContact O-N 3.13Å; L229-I233 HydrophobicContact CD1-CD1 3.5Å; L229-I233 VanDerWaalsContact CD1-CD1 3.5Å; L229-I233 HydrophobicContact CD1-CG1 4.05Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 WeakPolarHBondContact O-CB 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.4Å; L229-I248 HydrophobicContact CD1-CD1 3.56Å; L229-L329 HydrophobicContact CD2-CD1 3.77Å; L229-L329 HydrophobicContact CG-CD1 4.09Å; L229-D338 HydrophobicContact CB-CB 4.13Å; L229-D338 HydrophobicContact CD2-CB 3.96Å; L229-I342 HydrophobicContact CD1-CD1 4.04Å; L229-I342 HydrophobicContact CD2-CD1 3.82Å; L229-I342 HydrophobicContact CD2-CG1 3.67Å
230	I	97.1	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-52.2	-178.9	-69.1	167.4	0	0	0	110.6	N111 I113 T226 R227 K228 T232 I233 E234 L329 L334	N111-I230 HydrophobicContact CB-CD1 3.9Å; N111-I230 HydrophobicContact CB-CG2 4.46Å; I113-I230 HydrophobicContact CG1-CB 4.13Å; I113-I230 HydrophobicContact CG1-CG2 3.93Å; T226-I230 HydrophobicContact CG2-CD1 3.9Å; T226-I230 HydrophobicContact CG2-CG1 4.42Å; T226-I230 VanDerWaalsContact O-CG1 3.31Å; T226-I230 WeakPolarHBondContact O-CG1 3.49Å; T226-I230 PolarHBondContact O-N 2.86Å; R227-I230 PolarHBondContact O-N 2.8Å; K228-I230 PolarHBondContact O-N 3.07Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 3.2Å; I230-I233 PolarHBondContact O-N 3.08Å; I230-E234 VanDerWaalsContact O-CB 3.3Å; I230-E234 WeakPolarHBondContact O-CB 3.32Å; I230-E234 PolarHBondContact O-N 3.13Å; I230-L329 HydrophobicContact CG1-CB 4.2Å; I230-L334 HydrophobicContact CD1-CD2 3.9Å
231	G	97	Very high	94.7	Very high	1 Å²	1	35 Å²	35	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-37.7	179.2	0	0	0	0	0	112.8	F216 R227 K228 E234 Y235	F216-G231 VanDerWaalsContact CZ-O 3.26Å; F216-G231 WeakPolarHBondContact CZ-O 3.33Å; R227-G231 PolarHBondContact O-N 2.91Å; K228-G231 PolarHBondContact O-N 3Å; G231-E234 WeakPolarHBondContact O-CB 3.45Å; G231-E234 PolarHBondContact O-N 2.03Å; G231-Y235 PolarHBondContact O-N 3.14Å
232	T	97.2	Very high	94.5	Very high	3 Å²	3	36 Å²	36	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-48.5	178.1	-61.5	0	0	0	0	112.1	F149 T185 K228 L229 I230 E234 Y235 A236	F149-T232 HydrophobicContact CB-CG2 3.66Å; F149-T232 HydrophobicContact CD1-CG2 3.46Å; F149-T232 VanDerWaalsContact CD1-CG2 3.46Å; F149-T232 HydrophobicContact CD2-CG2 3.29Å; F149-T232 HydrophobicContact CE1-CG2 3.8Å; F149-T232 HydrophobicContact CE2-CG2 3.64Å; F149-T232 HydrophobicContact CG-CG2 3.17Å; F149-T232 HydrophobicContact CZ-CG2 3.87Å; T185-T232 HydrophobicContact CG2-CG2 3.86Å; T185-T232 VanDerWaalsContact CG2-OG1 3.31Å; T185-T232 WeakPolarHBondContact CG2-OG1 3.47Å; K228-T232 WeakPolarHBondContact O-CB 3.21Å; K228-T232 PolarHBondContact O-N 3.17Å; K228-T232 PolarHBondContact O-OG1 3.13Å; L229-T232 PolarHBondContact O-N 3.13Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 3.2Å; T232-E234 VanDerWaalsContact C-N 3.34Å; T232-Y235 PolarHBondContact O-N 3.44Å; T232-A236 PolarHBondContact O-N 3.18Å; T232-A236 VanDerWaalsContact O-N 3.14Å
233	I	96.7	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-37.3	178.6	-72.6	179.2	0	0	0	110.6	L229 I230 Y235 A236 K237 I248 M322 L325 Y326 L329	L229-I233 HydrophobicContact CD1-CD1 3.5Å; L229-I233 VanDerWaalsContact CD1-CD1 3.5Å; L229-I233 HydrophobicContact CD1-CG1 4.05Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 WeakPolarHBondContact O-CB 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.4Å; I230-I233 PolarHBondContact O-N 3.08Å; I233-Y235 VanDerWaalsContact C-N 3.34Å; I233-Y235 PolarHBondContact O-N 3.19Å; I233-A236 PolarHBondContact O-N 2.81Å; I233-K237 WeakPolarHBondContact O-CB 3.45Å; I233-K237 PolarHBondContact O-N 3.4Å; I233-I248 HydrophobicContact CD1-CD1 4.44Å; I233-I248 HydrophobicContact CG1-CD1 4.33Å; I233-M322 HydrophobicContact CG2-CG 3.95Å; I233-M322 HydrophobicContact CG2-SD 3.71Å; I233-L325 HydrophobicContact CD1-CD2 3.57Å; I233-L325 HydrophobicContact CD1-CG 4.03Å; I233-Y326 HydrophobicContact CG2-CD2 3.86Å; I233-Y326 HydrophobicContact CG2-CG 4.11Å; I233-L329 HydrophobicContact CD1-CD1 3.89Å
234	E	95.8	Very high	94.9	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.131	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-48.9	173.8	-171.8	162.7	110	0	0	111.4	Y112 I230 G231 T232 A236 K237 F238 Y326	Y112-E234 WeakPolarHBondContact CE2-OE1 3.47Å; I230-E234 VanDerWaalsContact O-CB 3.3Å; I230-E234 WeakPolarHBondContact O-CB 3.32Å; I230-E234 PolarHBondContact O-N 3.13Å; G231-E234 WeakPolarHBondContact O-CB 3.45Å; G231-E234 PolarHBondContact O-N 2.03Å; T232-E234 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 3.18Å; E234-K237 WeakPolarHBondContact O-CB 3.49Å; E234-K237 PolarHBondContact O-N 2.84Å; E234-K237 VanDerWaalsContact O-N 3.14Å; E234-F238 HydrophobicContact CG-CD2 3.63Å; E234-F238 HydrophobicContact CG-CE2 3.7Å; E234-F238 VanDerWaalsContact O-CD2 3.32Å; E234-F238 WeakPolarHBondContact O-CD2 3.3Å; E234-F238 PolarHBondContact O-N 3.2Å; E234-F238 VanDerWaalsContact O-N 3.09Å; E234-Y326 HydrophobicContact CB-CD2 4.23Å; E234-Y326 HydrophobicContact CB-CE2 3.54Å; E234-Y326 HydrophobicContact CG-CE2 3.75Å; E234-Y326 WeakPolarHBondContact OE2-CE2 3.45Å; E234-Y326 PolarHBondContact OE2-OH 3.35Å
235	Y	95.9	Very high	95	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-47.5	176.8	-179.9	-96.2	0	0	0	111.6	L118 H122 F149 Y183 L214 G231 T232 I233 K237 F238 H239	L118-Y235 HydrophobicContact CD2-CD2 3.8Å; L118-Y235 HydrophobicContact CD2-CE2 4.1Å; H122-Y235 PolarHBondContact ND1-OH 3.2Å; F149-Y235 HydrophobicContact CE1-CD1 4.09Å; F149-Y235 HydrophobicContact CZ-CD1 4.19Å; Y183-Y235 HydrophobicContact CD2-CE1 4.11Å; Y183-Y235 AromaticContact CE2-CE1 3.77Å; Y183-Y235 HydrophobicContact CE2-CE1 3.77Å; L214-Y235 HydrophobicContact CD1-CD1 3.64Å; L214-Y235 HydrophobicContact CD1-CE1 3.96Å; L214-Y235 HydrophobicContact CD1-CG 4.09Å; L214-Y235 HydrophobicContact CD2-CD1 3.82Å; L214-Y235 HydrophobicContact CD2-CD2 3.57Å; L214-Y235 HydrophobicContact CD2-CE1 3.89Å; L214-Y235 HydrophobicContact CD2-CE2 3.63Å; L214-Y235 HydrophobicContact CD2-CG 3.66Å; L214-Y235 HydrophobicContact CG-CD1 4.41Å; L214-Y235 HydrophobicContact CG-CE1 4.5Å; G231-Y235 PolarHBondContact O-N 3.14Å; T232-Y235 PolarHBondContact O-N 3.44Å; I233-Y235 VanDerWaalsContact C-N 3.34Å; I233-Y235 PolarHBondContact O-N 3.19Å; Y235-K237 VanDerWaalsContact C-N 3.27Å; Y235-K237 PolarHBondContact O-N 3.48Å; Y235-F238 PolarHBondContact O-N 3.21Å; Y235-H239 HydrophobicContact CD2-CB 4.13Å; Y235-H239 AromaticContact CD2-CD2 3.48Å; Y235-H239 VanDerWaalsContact CD2-CD2 3.48Å; Y235-H239 WeakPolarHBondContact CD2-CD2 3.48Å; Y235-H239 AromaticContact CD2-CG 3.89Å; Y235-H239 HydrophobicContact CE1-CB 4.43Å; Y235-H239 HydrophobicContact CE2-CB 3.82Å; Y235-H239 AromaticContact CE2-CD2 3.79Å; Y235-H239 AromaticContact CE2-CG 3.73Å; Y235-H239 WeakPolarHBondContact O-CB 3.46Å; Y235-H239 PolarHBondContact O-N 3.23Å
236	A	95.3	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-35.9	176.9	0	0	0	0	0	113.3	I147 F149 T232 I233 E234 C240 R319 M322	I147-A236 HydrophobicContact CD1-CB 3.71Å; F149-A236 HydrophobicContact CE2-CB 3.77Å; F149-A236 HydrophobicContact CZ-CB 3.78Å; T232-A236 PolarHBondContact O-N 3.18Å; T232-A236 VanDerWaalsContact O-N 3.14Å; I233-A236 PolarHBondContact O-N 2.81Å; E234-A236 PolarHBondContact O-N 3.18Å; A236-C240 WeakPolarHBondContact O-CB 3.36Å; A236-R319 PolarHBondContact O-NH1 2.71Å; A236-M322 HydrophobicContact CB-CE 4.01Å; A236-M322 HydrophobicContact CB-SD 4.19Å
237	K	94.3	Very high	95.3	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.096	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-50.6	179.4	179.1	-177.9	169.8	-165.6	0	111.1	I233 E234 Y235 R319 M322 Y323 Y326 E327	I233-K237 WeakPolarHBondContact O-CB 3.45Å; I233-K237 PolarHBondContact O-N 3.4Å; E234-K237 WeakPolarHBondContact O-CB 3.49Å; E234-K237 PolarHBondContact O-N 2.84Å; E234-K237 VanDerWaalsContact O-N 3.14Å; Y235-K237 VanDerWaalsContact C-N 3.27Å; Y235-K237 PolarHBondContact O-N 3.48Å; K237-R319 PolarHBondContact O-NH2 2.84Å; K237-R319 VanDerWaalsContact O-NH2 3.1Å; K237-M322 HydrophobicContact CB-CE 4.47Å; K237-M322 HydrophobicContact CB-SD 4.25Å; K237-Y323 HydrophobicContact CD-CD2 4.34Å; K237-Y323 HydrophobicContact CD-CE2 4.35Å; K237-Y323 HydrophobicContact CG-CD2 4.25Å; K237-Y323 HydrophobicContact CG-CE2 4.48Å; K237-Y326 HydrophobicContact CD-CD1 3.18Å; K237-Y326 HydrophobicContact CD-CE1 3.51Å; K237-Y326 HydrophobicContact CD-CG 3.81Å; K237-E327 WeakPolarHBondContact CE-OE1 3.39Å; K237-E327 IonicContact NZ-OE1 3.95Å; K237-E327 PolarHBondContact NZ-OE1 3.45Å
238	F	92.7	Very high	95.4	Very high	111 Å²	111	23.9 Å²	23.9	49%	0.487	11%	0.111	S	C	.	.	H	α-helix	trans	-91.7	-26.2	-168.2	-67.4	-62.1	0	0	0	114.9	E234 Y235 Y326	E234-F238 HydrophobicContact CG-CD2 3.63Å; E234-F238 HydrophobicContact CG-CE2 3.7Å; E234-F238 VanDerWaalsContact O-CD2 3.32Å; E234-F238 WeakPolarHBondContact O-CD2 3.3Å; E234-F238 PolarHBondContact O-N 3.2Å; E234-F238 VanDerWaalsContact O-N 3.09Å; Y235-F238 PolarHBondContact O-N 3.21Å; F238-Y326 HydrophobicContact CE2-CE1 4.21Å; F238-Y326 AromaticContact CE2-CZ 3.98Å; F238-Y326 HydrophobicContact CZ-CE1 4.33Å
239	H	92.6	Very high	95.4	Very high	53 Å²	53	23.7 Å²	23.7	25%	0.245	11%	0.11	C	C	.	.	H	α-helix	trans	-111.4	-6.9	-175.4	-62.2	-89.1	0	0	0	114.5	H122 C123 Y235	H122-H239 HydrophobicContact CB-CB 4.36Å; H122-H239 AromaticContact CD2-ND1 3.65Å; H122-H239 AromaticContact CE1-CE1 3.76Å; H122-H239 AromaticContact CE1-CG 3.97Å; H122-H239 AromaticContact CE1-ND1 3.14Å; H122-H239 PolarHBondContact CE1-ND1 3.34Å; H122-H239 AromaticContact CG-ND1 3.78Å; H122-H239 AromaticContact ND1-CG 3.91Å; H122-H239 AromaticContact ND1-ND1 3.47Å; H122-H239 PolarHBondContact ND1-ND1 3.49Å; H122-H239 AromaticContact NE2-CE1 3.82Å; H122-H239 AromaticContact NE2-ND1 3.21Å; H122-H239 PolarHBondContact NE2-ND1 3.2Å; C123-H239 PolarHBondContact SG-O 3.14Å; Y235-H239 HydrophobicContact CD2-CB 4.13Å; Y235-H239 AromaticContact CD2-CD2 3.48Å; Y235-H239 VanDerWaalsContact CD2-CD2 3.48Å; Y235-H239 WeakPolarHBondContact CD2-CD2 3.48Å; Y235-H239 AromaticContact CD2-CG 3.89Å; Y235-H239 HydrophobicContact CE1-CB 4.43Å; Y235-H239 HydrophobicContact CE2-CB 3.82Å; Y235-H239 AromaticContact CE2-CD2 3.79Å; Y235-H239 AromaticContact CE2-CG 3.73Å; Y235-H239 WeakPolarHBondContact O-CB 3.46Å; Y235-H239 PolarHBondContact O-N 3.23Å
240	C	92.4	Very high	95.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.			trans	-129	55.9	-177.4	-54.3	0	0	0	0	112.6	C123 D124 I147 A236 H242 T243 R319	C123-C240 HydrophobicContact CB-CB 3.82Å; C123-C240 WeakPolarHBondContact CB-SG 3.44Å; C123-C240 WeakPolarHBondContact SG-CA 3.41Å; C123-C240 WeakPolarHBondContact SG-CB 3.17Å; C123-C240 CovalentContact SG-SG 1.98Å; C123-C240 PolarHBondContact SG-SG 2.96Å; D124-C240 VanDerWaalsContact OD1-CA 3.28Å; D124-C240 WeakPolarHBondContact OD1-CA 3.26Å; D124-C240 PolarHBondContact OD2-N 3.49Å; I147-C240 HydrophobicContact CD1-CB 3.49Å; I147-C240 VanDerWaalsContact CD1-CB 3.49Å; I147-C240 WeakPolarHBondContact CD1-SG 3.5Å; I147-C240 HydrophobicContact CG1-CB 4.29Å; A236-C240 WeakPolarHBondContact O-CB 3.36Å; C240-H242 PolarHBondContact O-N 2.83Å; C240-T243 HydrophobicContact CB-CG2 3.7Å; C240-T243 PolarHBondContact O-N 3.3Å; C240-T243 PolarHBondContact O-OG1 3.19Å; C240-R319 PolarHBondContact O-NH1 2.83Å
241	I	89.5	Confident	95.4	Very high	91 Å²	91	25.9 Å²	25.9	47%	0.467	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.2	-176.1	74	172.9	0	0	0	114.5	D124 R319	D124-I241 PolarHBondContact OD1-N 3.33Å; D124-I241 WeakPolarHBondContact OD2-CG1 3.22Å; D124-I241 PolarHBondContact OD2-N 2.74Å; I241-R319 PolarHBondContact O-NE 3.09Å; I241-R319 VanDerWaalsContact O-NE 3.08Å
242	H	90.1	Very high	95.3	Very high	91 Å²	91	27.7 Å²	27.7	42%	0.421	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.7	-174.6	-63	-61.5	0	0	0	115.3	D124 C240	D124-H242 IonicContact OD1-CD2 2.6Å; D124-H242 PolarHBondContact OD1-N 3.45Å; C240-H242 PolarHBondContact O-N 2.83Å
243	T	93.4	Very high	95.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	13%	0.132	C	C	.	.			trans	-76.6	133.1	-176.7	58.9	0	0	0	0	111.6	C123 N145 I147 Y181 C240 R319	C123-T243 HydrophobicContact CB-CG2 4.34Å; N145-T243 HydrophobicContact CB-CG2 4.36Å; I147-T243 HydrophobicContact CD1-CG2 3.94Å; I147-T243 HydrophobicContact CG1-CG2 3.53Å; Y181-T243 HydrophobicContact CD2-CG2 4.05Å; Y181-T243 HydrophobicContact CE2-CG2 4.23Å; C240-T243 HydrophobicContact CB-CG2 3.7Å; C240-T243 PolarHBondContact O-N 3.3Å; C240-T243 PolarHBondContact O-OG1 3.19Å; T243-R319 VanDerWaalsContact O-CB 3.28Å; T243-R319 WeakPolarHBondContact O-CB 3.41Å; T243-R319 WeakPolarHBondContact O-CD 3.41Å
244	K	95.4	Very high	95.1	Very high	72 Å²	72	28.1 Å²	28.1	31%	0.313	13%	0.132	S	C	.	.			trans	-83.2	-38.8	-179.1	-68.7	-176.7	-179.9	168.7	0	112.4	T144 N145 Y272 R319	T144-K244 HydrophobicContact CG2-CD 4.21Å; N145-K244 PolarHBondContact O-N 3.13Å; K244-Y272 WeakPolarHBondContact CA-OH 3Å; K244-Y272 HydrophobicContact CB-CE2 4.17Å; K244-Y272 WeakPolarHBondContact O-CE2 3.35Å; K244-Y272 PolarHBondContact O-OH 3.5Å; K244-Y272 VanDerWaalsContact O-OH 3.08Å; K244-R319 PolarHBondContact O-N 2.92Å
245	F	97.8	Very high	95	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.7	-175.2	-60.4	-74.1	0	0	0	112	T144 N145 I146 I147 L264 I267 Y272 M317	T144-F245 HydrophobicContact CG2-CD2 3.71Å; T144-F245 HydrophobicContact CG2-CE2 3.7Å; N145-F245 PolarHBondContact O-N 2.87Å; I146-F245 CarbonylContact C-O 3.17Å; I146-F245 VanDerWaalsContact CA-O 3.3Å; I146-F245 WeakPolarHBondContact CA-O 3.43Å; I146-F245 HydrophobicContact CB-CB 4.23Å; I146-F245 HydrophobicContact CD1-CB 4.04Å; I146-F245 HydrophobicContact CG1-CB 3.94Å; I147-F245 PolarHBondContact N-O 2.96Å; F245-L264 HydrophobicContact CB-CD2 3.97Å; F245-L264 HydrophobicContact CD1-CD2 4.03Å; F245-L264 HydrophobicContact CD2-CD2 3.79Å; F245-L264 HydrophobicContact CE1-CD2 4.49Å; F245-L264 HydrophobicContact CE2-CB 4.42Å; F245-L264 HydrophobicContact CE2-CD2 4.25Å; F245-L264 HydrophobicContact CG-CD2 3.65Å; F245-I267 HydrophobicContact CD1-CD1 4.18Å; F245-I267 HydrophobicContact CE1-CD1 3.42Å; F245-I267 VanDerWaalsContact CE1-CD1 3.42Å; F245-I267 HydrophobicContact CE1-CG2 4.35Å; F245-I267 HydrophobicContact CZ-CB 4.25Å; F245-I267 HydrophobicContact CZ-CD1 3.71Å; F245-I267 HydrophobicContact CZ-CG2 4.37Å; F245-Y272 HydrophobicContact CD1-CE2 4.33Å; F245-Y272 AromaticContact CE1-CD2 3.72Å; F245-Y272 HydrophobicContact CE1-CD2 3.72Å; F245-Y272 AromaticContact CE1-CE2 3.76Å; F245-Y272 HydrophobicContact CE1-CE2 3.76Å; F245-Y272 HydrophobicContact CE2-CE2 4.49Å; F245-Y272 AromaticContact CZ-CD2 3.79Å; F245-Y272 HydrophobicContact CZ-CD2 3.79Å; F245-Y272 AromaticContact CZ-CE2 3.86Å; F245-Y272 HydrophobicContact CZ-CE2 3.86Å; F245-M317 CarbonylContact C-O 3.48Å; F245-M317 WeakPolarHBondContact CA-O 3.28Å
246	I	98.1	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.5	175.2	-57.8	86.2	0	0	0	107	I147 F149 I248 I316 M317 R319 M322	I147-I246 HydrophobicContact CD1-CG1 4.14Å; I147-I246 CarbonylContact O-C 3.57Å; I147-I246 WeakPolarHBondContact O-CA 3.31Å; F149-I246 HydrophobicContact CD2-CG2 3.66Å; F149-I246 HydrophobicContact CE2-CG2 3.69Å; I246-I248 HydrophobicContact CG2-CG1 4.27Å; I246-I316 CarbonylContact O-C 3.6Å; I246-I316 WeakPolarHBondContact O-CA 3.22Å; I246-M317 HydrophobicContact CB-CG 3.97Å; I246-M317 PolarHBondContact N-O 2.79Å; I246-M317 PolarHBondContact O-N 3.46Å; I246-R319 HydrophobicContact CD1-CB 4.18Å; I246-M322 HydrophobicContact CD1-CB 3.7Å; I246-M322 HydrophobicContact CD1-CE 4.15Å; I246-M322 HydrophobicContact CD1-CG 3.97Å; I246-M322 HydrophobicContact CG1-CB 4.35Å; I246-M322 HydrophobicContact CG1-CG 4.14Å
247	L	98.5	Very high	94.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125	169.8	166.3	61	0	0	0	108.2	I146 I147 I148 F149 I249 I255 L260 T314 I315 I316	I146-L247 HydrophobicContact CD1-CB 4.06Å; I147-L247 PolarHBondContact O-N 3.43Å; I148-L247 CarbonylContact C-O 3.45Å; I148-L247 WeakPolarHBondContact CA-O 3.49Å; I148-L247 HydrophobicContact CG1-CB 4.37Å; I148-L247 HydrophobicContact CG1-CD2 4.25Å; I148-L247 HydrophobicContact CG2-CD2 4.01Å; I148-L247 HydrophobicContact CG2-CG 4.28Å; F149-L247 PolarHBondContact N-O 2.96Å; L247-I249 HydrophobicContact CD1-CB 4.21Å; L247-I249 HydrophobicContact CG-CB 4.34Å; L247-I255 HydrophobicContact CD2-CD1 3.45Å; L247-I255 VanDerWaalsContact CD2-CD1 3.45Å; L247-L260 HydrophobicContact CD2-CD2 3.91Å; L247-T314 HydrophobicContact CD1-CG2 3.91Å; L247-I315 WeakPolarHBondContact CA-O 3.42Å; L247-I316 HydrophobicContact CB-CG1 4.5Å; L247-I316 HydrophobicContact CD1-CG1 3.63Å
248	I	98.5	Very high	94.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	168.2	-56	177.5	0	0	0	107	F149 K151 L229 I233 I246 I315 M317	F149-I248 HydrophobicContact CB-CG1 4.41Å; F149-I248 HydrophobicContact CD2-CG1 4.3Å; F149-I248 WeakPolarHBondContact O-CA 3.24Å; K151-I248 HydrophobicContact CD-CG2 4.14Å; K151-I248 HydrophobicContact CG-CG2 4.17Å; L229-I248 HydrophobicContact CD1-CD1 3.56Å; I233-I248 HydrophobicContact CD1-CD1 4.44Å; I233-I248 HydrophobicContact CG1-CD1 4.33Å; I246-I248 HydrophobicContact CG2-CG1 4.27Å; I248-I315 PolarHBondContact N-O 2.73Å; I248-I315 PolarHBondContact O-N 3.33Å; I248-M317 HydrophobicContact CD1-CE 4.17Å
249	I	98.1	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.9	-174	-165.7	174.8	0	0	0	110.6	I148 F149 I150 K151 W167 L247 F253 I255 G313 T374	I148-I249 HydrophobicContact CG2-CG2 4.23Å; F149-I249 PolarHBondContact O-N 3.47Å; I150-I249 CarbonylContact C-O 3.51Å; I150-I249 WeakPolarHBondContact CA-O 3.11Å; I150-I249 HydrophobicContact CB-CG2 4.47Å; I150-I249 HydrophobicContact CG1-CG2 4.03Å; K151-I249 PolarHBondContact N-O 2.9Å; W167-I249 HydrophobicContact CH2-CD1 4.13Å; W167-I249 HydrophobicContact CH2-CG2 3.71Å; W167-I249 HydrophobicContact CZ2-CD1 4.45Å; W167-I249 HydrophobicContact CZ3-CG2 4.31Å; L247-I249 HydrophobicContact CD1-CB 4.21Å; L247-I249 HydrophobicContact CG-CB 4.34Å; I249-F253 HydrophobicContact CD1-CB 3.71Å; I249-F253 HydrophobicContact CG1-CB 3.75Å; I249-F253 HydrophobicContact CG1-CG 4.4Å; I249-I255 HydrophobicContact CD1-CD1 3.66Å; I249-I255 HydrophobicContact CD1-CG1 3.38Å; I249-G313 WeakPolarHBondContact CA-O 3.33Å; I249-G313 VanDerWaalsContact CG1-O 3.24Å; I249-G313 WeakPolarHBondContact CG1-O 3.42Å; I249-T374 HydrophobicContact CD1-CG2 3.9Å
250	D	97.1	Very high	95.1	Very high	38 Å²	38	22.3 Å²	22.3	20%	0.203	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.4	171.4	-74.4	-39.2	0	0	0	111.3	K151 D252 F253 G313	K151-D250 WeakPolarHBondContact CB-OD1 3.28Å; K151-D250 WeakPolarHBondContact CD-OD1 3.36Å; K151-D250 WeakPolarHBondContact CE-OD1 3.35Å; K151-D250 VanDerWaalsContact NZ-CG 3.34Å; K151-D250 IonicContact NZ-OD1 3.71Å; K151-D250 PolarHBondContact NZ-OD1 3.46Å; K151-D250 IonicContact NZ-OD2 3.28Å; K151-D250 PolarHBondContact NZ-OD2 3.45Å; D250-D252 WeakPolarHBondContact CB-OD1 3.22Å; D250-D252 PolarHBondContact O-N 2.86Å; D250-D252 VanDerWaalsContact O-N 3.13Å; D250-F253 HydrophobicContact CB-CD2 3.92Å; D250-F253 HydrophobicContact CB-CE2 4.31Å; D250-F253 PolarHBondContact O-N 2.93Å; D250-F253 VanDerWaalsContact O-N 3.13Å; D250-G313 PolarHBondContact N-O 2.83Å; D250-G313 WeakPolarHBondContact OD2-CA 3.36Å
251	Q	96.7	Very high	95.3	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.065	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	-178.8	68.7	-179.6	6.1	0	0	113.9	I150 K151 S152 L159 L163 F253 Y377 D379	I150-Q251 HydrophobicContact CG2-CB 3.93Å; K151-Q251 WeakPolarHBondContact O-CB 3.36Å; K151-Q251 PolarHBondContact O-N 2.83Å; S152-Q251 PolarHBondContact OG-OE1 2.87Å; L159-Q251 HydrophobicContact CD2-CB 3.64Å; L159-Q251 HydrophobicContact CD2-CG 3.55Å; L159-Q251 VanDerWaalsContact CD2-OE1 3.29Å; L163-Q251 HydrophobicContact CD1-CB 4.18Å; Q251-F253 VanDerWaalsContact C-N 3.32Å; Q251-Y377 PolarHBondContact O-OH 2.92Å; Q251-D379 PolarHBondContact NE2-OD2 3.25Å
252	D	95.1	Very high	95.5	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	11.5	178.6	61.1	4.3	0	0	0	113.8	D250 H376 Y377 D379	D250-D252 WeakPolarHBondContact CB-OD1 3.22Å; D250-D252 PolarHBondContact O-N 2.86Å; D250-D252 VanDerWaalsContact O-N 3.13Å; D252-H376 VanDerWaalsContact CG-CD2 3.49Å; D252-H376 PolarHBondContact O-CD2 3.08Å; D252-H376 IonicContact OD1-CD2 3.33Å; D252-H376 IonicContact OD2-CD2 2.73Å; D252-H376 IonicContact OD2-NE2 3.63Å; D252-H376 PolarHBondContact OD2-NE2 3.4Å; D252-Y377 VanDerWaalsContact C-CD1 3.41Å; D252-Y377 WeakPolarHBondContact O-CD1 3.39Å; D252-Y377 VanDerWaalsContact O-CE1 3.31Å; D252-Y377 WeakPolarHBondContact O-CE1 3.44Å; D252-Y377 PolarHBondContact O-N 3.34Å; D252-D379 HydrophobicContact CB-CB 3.76Å
253	F	95.3	Very high	95.8	Very high	12 Å²	12	21.6 Å²	21.6	5%	0.053	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.1	169	-78.3	-108.7	0	0	0	112.5	W167 I249 D250 Q251 G313 I359 A375 H376 Y377	W167-F253 VanDerWaalsContact CE2-O 3.31Å; W167-F253 WeakPolarHBondContact CZ2-O 3.42Å; W167-F253 PolarHBondContact NE1-O 3.39Å; I249-F253 HydrophobicContact CD1-CB 3.71Å; I249-F253 HydrophobicContact CG1-CB 3.75Å; I249-F253 HydrophobicContact CG1-CG 4.4Å; D250-F253 HydrophobicContact CB-CD2 3.92Å; D250-F253 HydrophobicContact CB-CE2 4.31Å; D250-F253 PolarHBondContact O-N 2.93Å; D250-F253 VanDerWaalsContact O-N 3.13Å; Q251-F253 VanDerWaalsContact C-N 3.32Å; F253-G313 VanDerWaalsContact CE2-CA 3.48Å; F253-I359 HydrophobicContact CE1-CG2 4.48Å; F253-A375 CarbonylContact C-O 3.58Å; F253-A375 VanDerWaalsContact CA-O 3.27Å; F253-A375 WeakPolarHBondContact CA-O 3.32Å; F253-H376 HydrophobicContact CD1-CB 4.38Å; F253-H376 HydrophobicContact CE1-CB 3.95Å; F253-H376 HydrophobicContact CE2-CB 4.11Å; F253-H376 AromaticContact CE2-CD2 3.7Å; F253-H376 HydrophobicContact CZ-CB 3.79Å; F253-Y377 VanDerWaalsContact C-CD1 3.5Å; F253-Y377 WeakPolarHBondContact O-CE1 3.46Å
254	I	93.9	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143	167.9	-175.8	169.8	0	0	0	109.4	W167 I365 F372 T374 A375 Y377 L384 L387 W388 L391	W167-I254 HydrophobicContact CG-CG1 4.42Å; I254-I365 HydrophobicContact CG2-CD1 4.02Å; I254-F372 HydrophobicContact CG2-CE2 4.02Å; I254-F372 HydrophobicContact CG2-CZ 4.44Å; I254-T374 CarbonylContact O-C 3.55Å; I254-T374 WeakPolarHBondContact O-CA 3.46Å; I254-T374 WeakPolarHBondContact O-CB 3.15Å; I254-A375 HydrophobicContact CG2-CB 3.87Å; I254-A375 VanDerWaalsContact CG2-O 3.3Å; I254-A375 WeakPolarHBondContact CG2-O 3.25Å; I254-A375 PolarHBondContact N-O 2.94Å; I254-A375 PolarHBondContact O-N 3.37Å; I254-Y377 HydrophobicContact CB-CD1 4.13Å; I254-L384 HydrophobicContact CB-CD1 4.14Å; I254-L384 HydrophobicContact CD1-CD1 3.91Å; I254-L384 HydrophobicContact CG1-CD1 4.07Å; I254-L387 HydrophobicContact CB-CD2 4.43Å; I254-L387 HydrophobicContact CD1-CD2 3.71Å; I254-L387 HydrophobicContact CD1-CG 3.89Å; I254-L387 HydrophobicContact CG2-CD2 3.87Å; I254-W388 HydrophobicContact CD1-CE3 4.18Å; I254-L391 HydrophobicContact CD1-CD1 4.21Å
255	I	95.3	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.7	171.4	-57	-174.8	0	0	0	109.6	I148 W167 L247 I249 P257 L260 T374	I148-I255 HydrophobicContact CG2-CD1 4.48Å; W167-I255 HydrophobicContact CB-CB 4.2Å; W167-I255 HydrophobicContact CD2-CB 4.02Å; W167-I255 HydrophobicContact CD2-CD1 4.21Å; W167-I255 HydrophobicContact CD2-CG1 3.86Å; W167-I255 HydrophobicContact CE3-CB 3.9Å; W167-I255 HydrophobicContact CE3-CD1 3.36Å; W167-I255 HydrophobicContact CE3-CG1 3.53Å; W167-I255 HydrophobicContact CG-CB 4.19Å; W167-I255 HydrophobicContact CH2-CD1 4Å; W167-I255 HydrophobicContact CH2-CG1 4.19Å; W167-I255 HydrophobicContact CZ2-CG1 4.47Å; W167-I255 HydrophobicContact CZ3-CD1 3.25Å; W167-I255 HydrophobicContact CZ3-CG1 3.73Å; L247-I255 HydrophobicContact CD2-CD1 3.45Å; L247-I255 VanDerWaalsContact CD2-CD1 3.45Å; I249-I255 HydrophobicContact CD1-CD1 3.66Å; I249-I255 HydrophobicContact CD1-CG1 3.38Å; I255-P257 WeakPolarHBondContact O-CD 3.42Å; I255-L260 HydrophobicContact CD1-CD2 4.39Å; I255-L260 HydrophobicContact CG2-CB 4.07Å; I255-L260 HydrophobicContact CG2-CD2 3.86Å; I255-T374 HydrophobicContact CG1-CG2 4.03Å
256	N	94.3	Very high	95.8	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.141	C	C	.	.			trans	-88.7	105.6	158.6	179.3	-25	0	0	0	108.7	L258 N259 L260 F372 I373 F393	N256-L258 VanDerWaalsContact C-N 3.31Å; N256-L258 PolarHBondContact O-N 3.45Å; N256-L258 PolarHBondContact OD1-N 2.91Å; N256-N259 HydrophobicContact CB-CB 4.24Å; N256-N259 PolarHBondContact ND2-ND2 3.27Å; N256-N259 PolarHBondContact O-N 2.93Å; N256-N259 PolarHBondContact OD1-N 3.12Å; N256-L260 PolarHBondContact O-N 2.79Å; N256-L260 VanDerWaalsContact O-N 3.08Å; N256-F372 HydrophobicContact CB-CD2 4.16Å; N256-F372 HydrophobicContact CB-CE1 4.35Å; N256-F372 HydrophobicContact CB-CE2 3.79Å; N256-F372 HydrophobicContact CB-CZ 3.92Å; N256-F372 VanDerWaalsContact CB-O 3.24Å; N256-F372 WeakPolarHBondContact CB-O 3.28Å; N256-F372 PolarHBondContact ND2-O 3.19Å; N256-I373 PolarHBondContact N-O 3.24Å; N256-F393 HydrophobicContact CB-CE2 4.23Å; N256-F393 HydrophobicContact CB-CZ 3.81Å; N256-F393 VanDerWaalsContact CG-CZ 3.41Å; N256-F393 WeakPolarHBondContact ND2-CZ 3.46Å
257	P	94.5	Very high	95.7	Very high	3 Å²	3	29 Å²	29	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-41	-173.3	-25.7	35.9	0	0	0	112.8	C172 Y173 I255 N259 L260 I261 W388	C172-P257 HydrophobicContact CB-CB 3.97Å; C172-P257 HydrophobicContact CB-CG 3.91Å; Y173-P257 HydrophobicContact CD1-CB 4.25Å; Y173-P257 HydrophobicContact CE1-CB 3.73Å; Y173-P257 HydrophobicContact CE1-CG 4.46Å; I255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-N259 PolarHBondContact O-N 2.77Å; P257-L260 PolarHBondContact O-N 3.04Å; P257-I261 WeakPolarHBondContact O-CB 3.47Å; P257-I261 VanDerWaalsContact O-CD1 3.25Å; P257-I261 WeakPolarHBondContact O-CD1 3.46Å; P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 2.85Å; P257-W388 HydrophobicContact CG-CH2 4Å; P257-W388 HydrophobicContact CG-CZ3 4.4Å
258	L	93	Very high	95.6	Very high	55 Å²	55	32.3 Å²	32.3	29%	0.288	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-41.5	-176.6	-59.2	-177.9	0	0	0	112.2	Y176 N256 I261 K262 L396	Y176-L258 HydrophobicContact CD2-CD2 4.25Å; Y176-L258 HydrophobicContact CE1-CD2 4.14Å; Y176-L258 HydrophobicContact CE2-CD2 3.42Å; Y176-L258 VanDerWaalsContact CE2-CD2 3.42Å; Y176-L258 WeakPolarHBondContact OH-CD2 3.46Å; N256-L258 VanDerWaalsContact C-N 3.31Å; N256-L258 PolarHBondContact O-N 3.45Å; N256-L258 PolarHBondContact OD1-N 2.91Å; L258-I261 PolarHBondContact O-N 2.84Å; L258-K262 WeakPolarHBondContact O-CB 3.39Å; L258-K262 PolarHBondContact O-N 2.87Å; L258-L396 HydrophobicContact CD1-CD1 4Å
259	N	94.7	Very high	95.4	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.171	21%	0.206	C	C	.	.	H	α-helix	trans	-74.7	-33.9	179.5	-73	-12.7	0	0	0	112	N256 P257 L263 K370 Q371 F372 I373	N256-N259 HydrophobicContact CB-CB 4.24Å; N256-N259 PolarHBondContact ND2-ND2 3.27Å; N256-N259 PolarHBondContact O-N 2.93Å; N256-N259 PolarHBondContact OD1-N 3.12Å; P257-N259 PolarHBondContact O-N 2.77Å; N259-L263 WeakPolarHBondContact O-CB 3.42Å; N259-L263 PolarHBondContact O-N 2.92Å; N259-K370 PolarHBondContact ND2-O 3.06Å; N259-Q371 VanDerWaalsContact ND2-C 3.31Å; N259-Q371 PolarHBondContact ND2-O 3.38Å; N259-F372 PolarHBondContact ND2-O 3.38Å; N259-I373 HydrophobicContact CB-CG1 4.17Å
260	L	96.6	Very high	95.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-48.1	170	178.3	59.8	0	0	0	110.8	Y173 L247 I255 N256 P257 K262 L263 L264 I316 I373	Y173-L260 HydrophobicContact CE1-CD2 4.11Å; L247-L260 HydrophobicContact CD2-CD2 3.91Å; I255-L260 HydrophobicContact CD1-CD2 4.39Å; I255-L260 HydrophobicContact CG2-CB 4.07Å; I255-L260 HydrophobicContact CG2-CD2 3.86Å; N256-L260 PolarHBondContact O-N 2.79Å; N256-L260 VanDerWaalsContact O-N 3.08Å; P257-L260 PolarHBondContact O-N 3.04Å; L260-K262 PolarHBondContact O-N 2.75Å; L260-L263 WeakPolarHBondContact O-CB 3.13Å; L260-L263 PolarHBondContact O-N 2.69Å; L260-L264 HydrophobicContact CD1-CD1 4.09Å; L260-L264 HydrophobicContact CD1-CG 4.18Å; L260-L264 HydrophobicContact CG-CD1 3.98Å; L260-L264 HydrophobicContact CG-CG 4.5Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.13Å; L260-L264 PolarHBondContact O-N 3.1Å; L260-I316 HydrophobicContact CD1-CD1 3.74Å; L260-I316 HydrophobicContact CD1-CG1 4.46Å; L260-I373 HydrophobicContact CB-CG2 4.42Å; L260-I373 HydrophobicContact CD1-CG2 4.5Å
261	I	95.1	Very high	95.2	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-50	177	-67.5	156.1	0	0	0	110.6	Y173 Y176 I178 P257 L258 L263 L264 L265	Y173-I261 HydrophobicContact CD1-CD1 4.24Å; Y173-I261 HydrophobicContact CD1-CG1 4.18Å; Y176-I261 HydrophobicContact CD2-CD1 3.43Å; Y176-I261 VanDerWaalsContact CD2-CD1 3.43Å; Y176-I261 HydrophobicContact CE2-CD1 4.23Å; Y176-I261 HydrophobicContact CG-CD1 3.81Å; I178-I261 HydrophobicContact CG1-CB 4.4Å; I178-I261 HydrophobicContact CG1-CG1 3.88Å; I178-I261 HydrophobicContact CG1-CG2 4Å; P257-I261 WeakPolarHBondContact O-CB 3.47Å; P257-I261 VanDerWaalsContact O-CD1 3.25Å; P257-I261 WeakPolarHBondContact O-CD1 3.46Å; P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 2.85Å; L258-I261 PolarHBondContact O-N 2.84Å; I261-L263 VanDerWaalsContact C-N 3.28Å; I261-L263 PolarHBondContact O-N 2.71Å; I261-L264 PolarHBondContact O-N 2.95Å; I261-L264 VanDerWaalsContact O-N 3.15Å; I261-L265 HydrophobicContact CG2-CD1 3.72Å; I261-L265 HydrophobicContact CG2-CG 4.23Å; I261-L265 WeakPolarHBondContact O-CG 3.35Å; I261-L265 PolarHBondContact O-N 2.92Å
262	K	94.8	Very high	95.3	Very high	133 Å²	133	52.5 Å²	52.5	58%	0.578	26%	0.259	S	S	*	.	H	α-helix	trans	-57.9	-41.3	178.4	-177.6	178.7	178.4	-179.1	0	112	L258 L260 N266	L258-K262 WeakPolarHBondContact O-CB 3.39Å; L258-K262 PolarHBondContact O-N 2.87Å; L260-K262 PolarHBondContact O-N 2.75Å; K262-N266 WeakPolarHBondContact O-CB 3.39Å; K262-N266 PolarHBondContact O-N 2.98Å; K262-N266 PolarHBondContact O-ND2 3.21Å; K262-N266 VanDerWaalsContact O-ND2 3.14Å
263	L	95.9	Very high	95.4	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-50.4	175.4	173.6	146.6	0	0	0	110.7	N259 L260 I261 L265 N266 I267 Y275 I316 I356 I373	N259-L263 WeakPolarHBondContact O-CB 3.42Å; N259-L263 PolarHBondContact O-N 2.92Å; L260-L263 WeakPolarHBondContact O-CB 3.13Å; L260-L263 PolarHBondContact O-N 2.69Å; I261-L263 VanDerWaalsContact C-N 3.28Å; I261-L263 PolarHBondContact O-N 2.71Å; L263-L265 PolarHBondContact O-N 2.66Å; L263-N266 PolarHBondContact O-N 2.94Å; L263-I267 HydrophobicContact CD2-CD1 4.2Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 2.95Å; L263-Y275 WeakPolarHBondContact CD2-OH 3.31Å; L263-I316 HydrophobicContact CD1-CD1 4.38Å; L263-I316 HydrophobicContact CD2-CD1 3.99Å; L263-I316 HydrophobicContact CD2-CG2 4.42Å; L263-I356 HydrophobicContact CD1-CD1 3.55Å; L263-I356 HydrophobicContact CD1-CG1 4.38Å; L263-I373 HydrophobicContact CB-CD1 4.17Å; L263-I373 HydrophobicContact CD1-CD1 3.39Å; L263-I373 HydrophobicContact CG-CD1 4.41Å
264	L	96.2	Very high	95.5	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-42.6	-175.5	-64.6	167.8	0	0	0	112.3	I146 F245 L260 I261 N266 I267 I316	I146-L264 HydrophobicContact CD1-CD1 3.67Å; I146-L264 HydrophobicContact CD1-CD2 4.14Å; F245-L264 HydrophobicContact CB-CD2 3.97Å; F245-L264 HydrophobicContact CD1-CD2 4.03Å; F245-L264 HydrophobicContact CD2-CD2 3.79Å; F245-L264 HydrophobicContact CE1-CD2 4.49Å; F245-L264 HydrophobicContact CE2-CB 4.42Å; F245-L264 HydrophobicContact CE2-CD2 4.25Å; F245-L264 HydrophobicContact CG-CD2 3.65Å; L260-L264 HydrophobicContact CD1-CD1 4.09Å; L260-L264 HydrophobicContact CD1-CG 4.18Å; L260-L264 HydrophobicContact CG-CD1 3.98Å; L260-L264 HydrophobicContact CG-CG 4.5Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.13Å; L260-L264 PolarHBondContact O-N 3.1Å; I261-L264 PolarHBondContact O-N 2.95Å; I261-L264 VanDerWaalsContact O-N 3.15Å; L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 3.19Å; L264-I267 HydrophobicContact CD2-CD1 4.31Å; L264-I267 PolarHBondContact O-N 3.16Å; L264-I316 HydrophobicContact CD2-CG2 4.04Å
265	L	94.1	Very high	95.7	Very high	101 Å²	101	59 Å²	59	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-69.3	-24	179.8	-66.2	178.3	0	0	0	113.3	I178 I261 L263	I178-L265 HydrophobicContact CD1-CD2 4.05Å; I178-L265 HydrophobicContact CD1-CG 4.47Å; I261-L265 HydrophobicContact CG2-CD1 3.72Å; I261-L265 HydrophobicContact CG2-CG 4.23Å; I261-L265 WeakPolarHBondContact O-CG 3.35Å; I261-L265 PolarHBondContact O-N 2.92Å; L263-L265 PolarHBondContact O-N 2.66Å
266	N	95.4	Very high	95.9	Very high	108 Å²	108	59 Å²	59	58%	0.578	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.6	178.5	-74.2	-19.7	0	0	0	113.7	K262 L263 L264 T268	K262-N266 WeakPolarHBondContact O-CB 3.39Å; K262-N266 PolarHBondContact O-N 2.98Å; K262-N266 PolarHBondContact O-ND2 3.21Å; K262-N266 VanDerWaalsContact O-ND2 3.14Å; L263-N266 PolarHBondContact O-N 2.94Å; L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 3.19Å; N266-T268 PolarHBondContact O-N 2.81Å
267	I	96.5	Very high	96.1	Very high	22 Å²	22	58.7 Å²	58.7	11%	0.113	30%	0.295	C	S	.	.			trans	-71.3	115.8	176	-63.8	165.4	0	0	0	108.5	F245 L263 L264 Q271 Y275	F245-I267 HydrophobicContact CD1-CD1 4.18Å; F245-I267 HydrophobicContact CE1-CD1 3.42Å; F245-I267 VanDerWaalsContact CE1-CD1 3.42Å; F245-I267 HydrophobicContact CE1-CG2 4.35Å; F245-I267 HydrophobicContact CZ-CB 4.25Å; F245-I267 HydrophobicContact CZ-CD1 3.71Å; F245-I267 HydrophobicContact CZ-CG2 4.37Å; L263-I267 HydrophobicContact CD2-CD1 4.2Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 2.95Å; L264-I267 HydrophobicContact CD2-CD1 4.31Å; L264-I267 PolarHBondContact O-N 3.16Å; I267-Q271 HydrophobicContact CG2-CB 4.14Å; I267-Y275 HydrophobicContact CD1-CD1 3.65Å; I267-Y275 HydrophobicContact CD1-CD2 4.14Å; I267-Y275 HydrophobicContact CD1-CE1 3.33Å; I267-Y275 HydrophobicContact CD1-CE2 3.85Å; I267-Y275 HydrophobicContact CD1-CG 4.03Å; I267-Y275 VanDerWaalsContact CD1-CZ 3.41Å; I267-Y275 HydrophobicContact CG1-CD1 4.46Å; I267-Y275 HydrophobicContact CG1-CD2 4.06Å; I267-Y275 HydrophobicContact CG1-CE1 4.14Å; I267-Y275 HydrophobicContact CG1-CE2 3.69Å; I267-Y275 HydrophobicContact CG1-CG 4.4Å; I267-Y275 HydrophobicContact CG2-CD2 3.96Å; I267-Y275 HydrophobicContact CG2-CE2 4.44Å; I267-Y275 HydrophobicContact CG2-CG 4.1Å
268	T	96	Very high	96.3	Very high	70 Å²	70	58.6 Å²	58.6	43%	0.429	29%	0.294	S	S	.	.			trans	-71.6	156.7	179.5	63.8	0	0	0	0	111.7	N266 L270 Q271 Y272	N266-T268 PolarHBondContact O-N 2.81Å; T268-L270 PolarHBondContact O-N 2.69Å; T268-Q271 PolarHBondContact O-N 2.64Å; T268-Q271 VanDerWaalsContact OG1-CD 3.31Å; T268-Q271 VanDerWaalsContact OG1-CG 3.29Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.45Å; T268-Q271 PolarHBondContact OG1-N 2.85Å; T268-Q271 PolarHBondContact OG1-OE1 3.04Å; T268-Y272 PolarHBondContact O-N 3.21Å
269	K	94.2	Very high	96.5	Very high	196 Å²	196	58.2 Å²	58.2	85%	0.852	29%	0.289	S	S	*	.	H	α-helix	trans	-55.5	-33.7	173.5	-171.2	176.9	-179.1	179.7	0	112.7
270	L	95.1	Very high	96.7	Very high	160 Å²	160	57.3 Å²	57.3	84%	0.838	29%	0.285	S	S	*	.	H	α-helix	trans	-68.8	-38.7	177.3	-69	173.5	0	0	0	112.4	T268	T268-L270 PolarHBondContact O-N 2.69Å
271	Q	97.3	Very high	96.7	Very high	71 Å²	71	59.2 Å²	59.2	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-75.2	-34.8	178.4	-72.7	164.3	-37.1	0	0	112.1	I267 T268 N273 T274 Y275	I267-Q271 HydrophobicContact CG2-CB 4.14Å; T268-Q271 PolarHBondContact O-N 2.64Å; T268-Q271 VanDerWaalsContact OG1-CD 3.31Å; T268-Q271 VanDerWaalsContact OG1-CG 3.29Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.45Å; T268-Q271 PolarHBondContact OG1-N 2.85Å; T268-Q271 PolarHBondContact OG1-OE1 3.04Å; Q271-N273 VanDerWaalsContact C-N 3.32Å; Q271-N273 PolarHBondContact O-N 3.13Å; Q271-N273 VanDerWaalsContact O-N 3.17Å; Q271-T274 CarbonylContact O-C 3.21Å; Q271-T274 PolarHBondContact O-N 3.12Å; Q271-T274 VanDerWaalsContact O-N 3.07Å; Q271-Y275 HydrophobicContact CB-CD2 4.4Å; Q271-Y275 WeakPolarHBondContact O-CB 3.35Å; Q271-Y275 PolarHBondContact O-N 2.98Å
272	Y	97.8	Very high	96.7	Very high	53 Å²	53	65.2 Å²	65.2	21%	0.208	32%	0.32	C	S	.	.	H	α-helix	trans	-49.3	-47	-169.2	179	-101.7	0	0	0	113.7	K244 F245 T268 T274 Y275 S318 P320	K244-Y272 WeakPolarHBondContact CA-OH 3Å; K244-Y272 HydrophobicContact CB-CE2 4.17Å; K244-Y272 WeakPolarHBondContact O-CE2 3.35Å; K244-Y272 PolarHBondContact O-OH 3.5Å; K244-Y272 VanDerWaalsContact O-OH 3.08Å; F245-Y272 HydrophobicContact CD1-CE2 4.33Å; F245-Y272 AromaticContact CE1-CD2 3.72Å; F245-Y272 HydrophobicContact CE1-CD2 3.72Å; F245-Y272 AromaticContact CE1-CE2 3.76Å; F245-Y272 HydrophobicContact CE1-CE2 3.76Å; F245-Y272 HydrophobicContact CE2-CE2 4.49Å; F245-Y272 AromaticContact CZ-CD2 3.79Å; F245-Y272 HydrophobicContact CZ-CD2 3.79Å; F245-Y272 AromaticContact CZ-CE2 3.86Å; F245-Y272 HydrophobicContact CZ-CE2 3.86Å; T268-Y272 PolarHBondContact O-N 3.21Å; Y272-T274 PolarHBondContact O-N 3.48Å; Y272-T274 VanDerWaalsContact O-N 3.09Å; Y272-Y275 PolarHBondContact O-N 3.04Å; Y272-Y275 VanDerWaalsContact O-N 3.16Å; Y272-S318 WeakPolarHBondContact O-CB 2.96Å; Y272-S318 PolarHBondContact O-OG 2.88Å; Y272-P320 HydrophobicContact CD1-CG 4.34Å; Y272-P320 HydrophobicContact CE1-CG 3.83Å
273	N	97.5	Very high	96.6	Very high	101 Å²	101	64.9 Å²	64.9	54%	0.54	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23	-175	-71.1	-13.2	0	0	0	114.4	Q271	Q271-N273 VanDerWaalsContact C-N 3.32Å; Q271-N273 PolarHBondContact O-N 3.13Å; Q271-N273 VanDerWaalsContact O-N 3.17Å
274	T	97.8	Very high	96.5	Very high	72 Å²	72	64.1 Å²	64.1	44%	0.442	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	16.7	179.5	60.6	0	0	0	0	112	Q271 Y272 I276	Q271-T274 CarbonylContact O-C 3.21Å; Q271-T274 PolarHBondContact O-N 3.12Å; Q271-T274 VanDerWaalsContact O-N 3.07Å; Y272-T274 PolarHBondContact O-N 3.48Å; Y272-T274 VanDerWaalsContact O-N 3.09Å; T274-I276 PolarHBondContact O-N 3.32Å
275	Y	98.6	Very high	96.5	Very high	14 Å²	14	69 Å²	69	6%	0.055	34%	0.342	C	S	.	.			trans	-76.6	120.6	-171.8	-173	-92.3	0	0	0	111.6	L263 I267 Q271 Y272 S277 I316 M317 S318 V321	L263-Y275 WeakPolarHBondContact CD2-OH 3.31Å; I267-Y275 HydrophobicContact CD1-CD1 3.65Å; I267-Y275 HydrophobicContact CD1-CD2 4.14Å; I267-Y275 HydrophobicContact CD1-CE1 3.33Å; I267-Y275 HydrophobicContact CD1-CE2 3.85Å; I267-Y275 HydrophobicContact CD1-CG 4.03Å; I267-Y275 VanDerWaalsContact CD1-CZ 3.41Å; I267-Y275 HydrophobicContact CG1-CD1 4.46Å; I267-Y275 HydrophobicContact CG1-CD2 4.06Å; I267-Y275 HydrophobicContact CG1-CE1 4.14Å; I267-Y275 HydrophobicContact CG1-CE2 3.69Å; I267-Y275 HydrophobicContact CG1-CG 4.4Å; I267-Y275 HydrophobicContact CG2-CD2 3.96Å; I267-Y275 HydrophobicContact CG2-CE2 4.44Å; I267-Y275 HydrophobicContact CG2-CG 4.1Å; Q271-Y275 HydrophobicContact CB-CD2 4.4Å; Q271-Y275 WeakPolarHBondContact O-CB 3.35Å; Q271-Y275 PolarHBondContact O-N 2.98Å; Y272-Y275 PolarHBondContact O-N 3.04Å; Y272-Y275 VanDerWaalsContact O-N 3.16Å; Y275-S277 WeakPolarHBondContact CE1-OG 3.24Å; Y275-S277 PolarHBondContact OH-OG 3.45Å; Y275-I316 HydrophobicContact CE1-CG2 4.17Å; Y275-M317 WeakPolarHBondContact O-CA 3.47Å; Y275-S318 PolarHBondContact O-N 3.38Å; Y275-S318 PolarHBondContact O-OG 3.31Å; Y275-S318 VanDerWaalsContact O-OG 3.14Å; Y275-V321 WeakPolarHBondContact O-CG2 3.33Å
276	I	98.7	Very high	96.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.7	163.4	-179.2	157.2	0	0	0	109	T274 I315 I316 M317 V321 I342 L346 I351 I353 H354	T274-I276 PolarHBondContact O-N 3.32Å; I276-I315 HydrophobicContact CD1-CG2 3.98Å; I276-I315 HydrophobicContact CG1-CG2 4.16Å; I276-I316 CarbonylContact C-O 3.38Å; I276-I316 VanDerWaalsContact CA-O 3.29Å; I276-I316 WeakPolarHBondContact CA-O 3.47Å; I276-M317 HydrophobicContact CB-CB 4.06Å; I276-M317 HydrophobicContact CD1-CB 3.96Å; I276-M317 HydrophobicContact CD1-CE 3.94Å; I276-M317 HydrophobicContact CD1-SD 4.48Å; I276-M317 HydrophobicContact CG1-CB 3.96Å; I276-V321 HydrophobicContact CB-CG1 4.09Å; I276-V321 HydrophobicContact CD1-CG1 4.21Å; I276-V321 HydrophobicContact CG2-CG1 4.29Å; I276-I342 HydrophobicContact CD1-CG2 4.14Å; I276-L346 HydrophobicContact CD1-CD1 3.79Å; I276-L346 HydrophobicContact CD1-CD2 4.28Å; I276-L346 HydrophobicContact CG2-CD1 4.12Å; I276-L346 HydrophobicContact CG2-CD2 4.13Å; I276-I351 HydrophobicContact CG2-CG2 3.78Å; I276-I353 HydrophobicContact CG2-CG1 4.31Å; I276-H354 PolarHBondContact O-CD2 3.38Å; I276-H354 PolarHBondContact O-N 2.97Å
277	S	98.5	Very high	96.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.8	-173.9	66.1	0	0	0	0	112.4	Y275 I316 H354 I356	Y275-S277 WeakPolarHBondContact CE1-OG 3.24Å; Y275-S277 PolarHBondContact OH-OG 3.45Å; S277-I316 PolarHBondContact N-O 3.15Å; S277-I316 PolarHBondContact O-N 3.46Å; S277-H354 WeakPolarHBondContact CA-O 3Å; S277-H354 WeakPolarHBondContact CB-O 3.37Å; S277-I356 WeakPolarHBondContact OG-CD1 3.26Å
278	G	98.1	Very high	96.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-173.2	179.1	0	0	0	0	0	110.8	V280 H354 H355 I356	G278-V280 PolarHBondContact O-N 3.11Å; G278-H354 PolarHBondContact N-O 3.35Å; G278-H355 CarbonylContact O-C 3.51Å; G278-H355 WeakPolarHBondContact O-CA 3.36Å; G278-I356 PolarHBondContact O-N 2.86Å
279	Y	97.6	Very high	96.7	Very high	47 Å²	47	67.5 Å²	67.5	18%	0.184	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105	168.8	-170.6	-86.2	0	0	0	108.8	I281 P310 L311 H355 L361	Y279-I281 HydrophobicContact CD1-CD1 3.83Å; Y279-I281 HydrophobicContact CE1-CD1 3.75Å; Y279-I281 PolarHBondContact O-N 3.38Å; Y279-P310 CarbonylContact O-C 3.53Å; Y279-L311 HydrophobicContact CD1-CB 4.46Å; Y279-L311 PolarHBondContact O-N 3.38Å; Y279-H355 AromaticContact CD2-CE1 3.61Å; Y279-H355 AromaticContact CD2-NE2 3.93Å; Y279-H355 AromaticContact CE2-CE1 3.64Å; Y279-H355 AromaticContact CE2-NE2 3.88Å; Y279-H355 AromaticContact CG-CE1 3.95Å; Y279-L361 HydrophobicContact CD1-CD1 4.05Å; Y279-L361 HydrophobicContact CE1-CD1 3.85Å; Y279-L361 HydrophobicContact CE2-CD1 4.46Å; Y279-L361 HydrophobicContact CG-CD1 4.43Å; Y279-L361 HydrophobicContact CG-CD2 4.31Å
280	V	98.2	Very high	96.7	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.085	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.2	-172.3	180	0	0	0	0	111.7	G278 K282 N308 Y309 I353 H355	G278-V280 PolarHBondContact O-N 3.11Å; V280-K282 HydrophobicContact CG1-CG 4.21Å; V280-N308 HydrophobicContact CG1-CB 4.13Å; V280-Y309 WeakPolarHBondContact CA-O 3.44Å; V280-I353 HydrophobicContact CG2-CB 3.75Å; V280-I353 HydrophobicContact CG2-CG2 3.44Å; V280-I353 VanDerWaalsContact CG2-CG2 3.44Å; V280-H355 HydrophobicContact CB-CB 4.2Å; V280-H355 HydrophobicContact CG2-CB 3.98Å; V280-H355 PolarHBondContact N-ND1 3.47Å
281	I	97.3	Very high	96.6	Very high	41 Å²	41	65.4 Å²	65.4	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.6	166	-53.3	-56.4	0	0	0	108.7	Y279 N308 Y309 L311	Y279-I281 HydrophobicContact CD1-CD1 3.83Å; Y279-I281 HydrophobicContact CE1-CD1 3.75Å; Y279-I281 PolarHBondContact O-N 3.38Å; I281-N308 WeakPolarHBondContact O-CA 3.47Å; I281-Y309 HydrophobicContact CB-CD1 4.17Å; I281-Y309 HydrophobicContact CB-CD2 4.39Å; I281-Y309 HydrophobicContact CB-CE1 3.71Å; I281-Y309 HydrophobicContact CB-CE2 3.97Å; I281-Y309 HydrophobicContact CB-CG 4.49Å; I281-Y309 HydrophobicContact CG1-CD2 4.42Å; I281-Y309 HydrophobicContact CG1-CE1 4.41Å; I281-Y309 HydrophobicContact CG1-CE2 3.8Å; I281-Y309 HydrophobicContact CG2-CE1 3.71Å; I281-Y309 PolarHBondContact N-O 3.34Å; I281-Y309 PolarHBondContact O-N 3.33Å; I281-L311 HydrophobicContact CD1-CD1 4.36Å; I281-L311 HydrophobicContact CG1-CB 4.35Å; I281-L311 HydrophobicContact CG1-CD1 4.13Å
282	K	96.1	Very high	96.4	Very high	135 Å²	135	63.6 Å²	63.6	59%	0.587	31%	0.31	S	S	*	.	S	Bend	trans	-95.5	127.5	178.4	-65.2	176.3	-173.4	163.7	0	110	V280 G284 N308	V280-K282 HydrophobicContact CG1-CG 4.21Å; K282-G284 PolarHBondContact O-N 3.44Å; K282-N308 WeakPolarHBondContact CA-OD1 3.31Å
283	K	90.9	Very high	96	Very high	126 Å²	126	67.1 Å²	67.1	55%	0.548	33%	0.327	S	S	.	.	S	Bend	trans	48	43.6	178.6	-61.2	179.8	176.2	176	0	113.2	I285 Y305 N308	K283-I285 PolarHBondContact O-N 3.41Å; K283-Y305 HydrophobicContact CB-CD1 4.12Å; K283-Y305 HydrophobicContact CB-CG 4.33Å; K283-Y305 VanDerWaalsContact O-CD1 3.3Å; K283-Y305 WeakPolarHBondContact O-CD1 3.38Å; K283-N308 PolarHBondContact N-OD1 2.94Å
284	G	94.9	Very high	95.8	Very high	10 Å²	10	65.1 Å²	65.1	10%	0.103	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.6	179.7	0	0	0	0	0	111.5	K282 Y305 Y306	K282-G284 PolarHBondContact O-N 3.44Å; G284-Y305 CarbonylContact O-C 3.53Å; G284-Y305 WeakPolarHBondContact O-CA 3.33Å; G284-Y306 WeakPolarHBondContact O-CD2 3.22Å; G284-Y306 PolarHBondContact O-N 3.27Å
285	I	96.5	Very high	95.7	Very high	107 Å²	107	64.1 Å²	64.1	55%	0.549	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-94.1	124.8	-178.5	-61.5	173.3	0	0	0	108.4	K283 F287 Y305	K283-I285 PolarHBondContact O-N 3.41Å; I285-F287 PolarHBondContact O-N 3.39Å; I285-Y305 HydrophobicContact CD1-CE1 4.14Å; I285-Y305 HydrophobicContact CG1-CD1 3.79Å; I285-Y305 HydrophobicContact CG1-CE1 3.77Å
286	P	96.9	Very high	95.5	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.019	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-63.2	123.1	176.1	-18.5	29.6	0	0	0	111.1	R288 I296 Y301 K304 Y306	P286-R288 WeakPolarHBondContact O-CD 3.28Å; P286-R288 WeakPolarHBondContact O-CG 3.46Å; P286-R288 PolarHBondContact O-N 3Å; P286-R288 PolarHBondContact O-NE 2.88Å; P286-I296 HydrophobicContact CB-CG2 3.63Å; P286-Y301 HydrophobicContact CB-CD1 4.28Å; P286-Y301 HydrophobicContact CG-CD1 3.58Å; P286-Y301 HydrophobicContact CG-CE1 3.61Å; P286-K304 WeakPolarHBondContact CD-O 3.28Å; P286-Y306 HydrophobicContact CB-CE1 4.09Å; P286-Y306 HydrophobicContact CB-CE2 4.01Å; P286-Y306 WeakPolarHBondContact CB-OH 2.82Å; P286-Y306 HydrophobicContact CG-CD1 4.16Å; P286-Y306 HydrophobicContact CG-CD2 4.33Å; P286-Y306 HydrophobicContact CG-CE1 3.71Å; P286-Y306 HydrophobicContact CG-CE2 3.93Å; P286-Y306 HydrophobicContact CG-CG 4.46Å
287	F	96.8	Very high	95.3	Very high	74 Å²	74	65.7 Å²	65.7	33%	0.325	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-65.5	125.2	176.4	-66.8	-83.8	0	0	0	110.8	I285 N292 W294 F295 I296	I285-F287 PolarHBondContact O-N 3.39Å; F287-N292 HydrophobicContact CB-CB 4.28Å; F287-N292 VanDerWaalsContact CD1-ND2 3.29Å; F287-N292 WeakPolarHBondContact CD1-ND2 3.47Å; F287-W294 HydrophobicContact CB-CB 4.5Å; F287-W294 HydrophobicContact CD2-CB 3.67Å; F287-W294 HydrophobicContact CD2-CD2 4.49Å; F287-W294 AromaticContact CD2-CE3 3.96Å; F287-W294 HydrophobicContact CD2-CE3 3.96Å; F287-W294 HydrophobicContact CD2-CG 4.46Å; F287-W294 HydrophobicContact CE2-CB 4.31Å; F287-W294 HydrophobicContact CE2-CD2 4.29Å; F287-W294 AromaticContact CE2-CE3 3.48Å; F287-W294 HydrophobicContact CE2-CE3 3.48Å; F287-W294 VanDerWaalsContact CE2-CE3 3.48Å; F287-W294 HydrophobicContact CE2-CZ3 4.14Å; F287-W294 HydrophobicContact CG-CB 4.37Å; F287-W294 AromaticContact CZ-CE3 3.92Å; F287-W294 HydrophobicContact CZ-CE3 3.92Å; F287-W294 HydrophobicContact CZ-CZ3 4.23Å; F287-F295 WeakPolarHBondContact O-CA 3.33Å; F287-I296 PolarHBondContact O-N 3.33Å
288	R	96.4	Very high	95.2	Very high	78 Å²	78	73.1 Å²	73.1	29%	0.294	35%	0.346	S	S	.	.			trans	-109.7	3.5	-176.4	-53.8	-52.4	-173.6	164.4	3.8	114.1	P286 F295 I296 S297 Y301 F303	P286-R288 WeakPolarHBondContact O-CD 3.28Å; P286-R288 WeakPolarHBondContact O-CG 3.46Å; P286-R288 PolarHBondContact O-N 3Å; P286-R288 PolarHBondContact O-NE 2.88Å; R288-F295 VanDerWaalsContact C-CD2 3.5Å; R288-F295 VanDerWaalsContact O-CE2 3.28Å; R288-F295 WeakPolarHBondContact O-CE2 3.38Å; R288-I296 WeakPolarHBondContact CD-O 3.4Å; R288-I296 PolarHBondContact NH1-O 3.44Å; R288-S297 PolarHBondContact NH1-O 2.89Å; R288-Y301 PolarHBondContact NH1-O 3.23Å; R288-Y301 PolarHBondContact NH2-O 2.76Å; R288-F303 PolarHBondContact NH2-O 2.9Å; R288-F303 VanDerWaalsContact NH2-O 3.17Å
289	I	95.4	Very high	95	Very high	116 Å²	116	82.8 Å²	82.8	60%	0.595	38%	0.384	S	S	*	.			trans	-90.5	122.4	177.3	-58.9	173.9	0	0	0	108.5	T291 N292 F295	I289-T291 VanDerWaalsContact CG2-OG1 3.31Å; I289-T291 WeakPolarHBondContact CG2-OG1 3.44Å; I289-T291 PolarHBondContact O-N 2.95Å; I289-T291 VanDerWaalsContact O-N 3.16Å; I289-N292 WeakPolarHBondContact O-CB 3.31Å; I289-N292 PolarHBondContact O-N 3.46Å; I289-F295 VanDerWaalsContact C-CD2 3.49Å; I289-F295 WeakPolarHBondContact O-CB 3.42Å; I289-F295 WeakPolarHBondContact O-CD2 3.37Å
290	K	93.7	Very high	94.8	Very high	179 Å²	179	84.5 Å²	84.5	78%	0.778	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	-173.1	-71	-176.4	179.9	178.8	0	114.7	N292 F295	K290-N292 VanDerWaalsContact C-N 3.31Å; K290-F295 HydrophobicContact CG-CD2 4.31Å; K290-F295 HydrophobicContact CG-CE1 4.21Å; K290-F295 HydrophobicContact CG-CE2 3.89Å; K290-F295 HydrophobicContact CG-CZ 3.83Å
291	T	93.6	Very high	94.7	Very high	133 Å²	133	83.8 Å²	83.8	82%	0.816	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.5	178.4	53.7	0	0	0	0	113.1	I289	I289-T291 VanDerWaalsContact CG2-OG1 3.31Å; I289-T291 WeakPolarHBondContact CG2-OG1 3.44Å; I289-T291 PolarHBondContact O-N 2.95Å; I289-T291 VanDerWaalsContact O-N 3.16Å
292	N	92.7	Very high	94.7	Very high	33 Å²	33	84.8 Å²	84.8	18%	0.176	40%	0.397	C	S	.	.	S	Bend	trans	-77.1	133.5	177.7	-170.7	-60.3	0	0	0	110	F287 I289 K290 W294 F295	F287-N292 HydrophobicContact CB-CB 4.28Å; F287-N292 VanDerWaalsContact CD1-ND2 3.29Å; F287-N292 WeakPolarHBondContact CD1-ND2 3.47Å; I289-N292 WeakPolarHBondContact O-CB 3.31Å; I289-N292 PolarHBondContact O-N 3.46Å; K290-N292 VanDerWaalsContact C-N 3.31Å; N292-W294 PolarHBondContact O-N 3.27Å; N292-W294 VanDerWaalsContact O-N 3.12Å; N292-W294 WeakPolarHBondContact OD1-CA 3.45Å; N292-W294 WeakPolarHBondContact OD1-CB 3.24Å; N292-W294 PolarHBondContact OD1-N 3.5Å; N292-F295 WeakPolarHBondContact O-CB 3.34Å; N292-F295 PolarHBondContact O-N 3.19Å
293	K	90.2	Very high	94.7	Very high	127 Å²	127	80.2 Å²	80.2	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.2	178.8	69.8	-175.6	-175.4	-174	0	113.5
294	W	93.1	Very high	94.9	Very high	58 Å²	58	81.5 Å²	81.5	22%	0.22	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	19.5	177.1	-54.4	-50.8	0	0	0	113.1	E61 Y222 F287 N292 I296 F337	E61-W294 HydrophobicContact CG-CH2 4.45Å; Y222-W294 PolarHBondContact OH-NE1 3.4Å; F287-W294 HydrophobicContact CB-CB 4.5Å; F287-W294 HydrophobicContact CD2-CB 3.67Å; F287-W294 HydrophobicContact CD2-CD2 4.49Å; F287-W294 AromaticContact CD2-CE3 3.96Å; F287-W294 HydrophobicContact CD2-CE3 3.96Å; F287-W294 HydrophobicContact CD2-CG 4.46Å; F287-W294 HydrophobicContact CE2-CB 4.31Å; F287-W294 HydrophobicContact CE2-CD2 4.29Å; F287-W294 AromaticContact CE2-CE3 3.48Å; F287-W294 HydrophobicContact CE2-CE3 3.48Å; F287-W294 VanDerWaalsContact CE2-CE3 3.48Å; F287-W294 HydrophobicContact CE2-CZ3 4.14Å; F287-W294 HydrophobicContact CG-CB 4.37Å; F287-W294 AromaticContact CZ-CE3 3.92Å; F287-W294 HydrophobicContact CZ-CE3 3.92Å; F287-W294 HydrophobicContact CZ-CZ3 4.23Å; N292-W294 PolarHBondContact O-N 3.27Å; N292-W294 VanDerWaalsContact O-N 3.12Å; N292-W294 WeakPolarHBondContact OD1-CA 3.45Å; N292-W294 WeakPolarHBondContact OD1-CB 3.24Å; N292-W294 PolarHBondContact OD1-N 3.5Å; W294-I296 PolarHBondContact O-N 2.88Å; W294-F337 HydrophobicContact CB-CZ 4.41Å; W294-F337 VanDerWaalsContact O-CZ 3.3Å; W294-F337 WeakPolarHBondContact O-CZ 3.33Å
295	F	95.1	Very high	95	Very high	52 Å²	52	84.9 Å²	84.9	23%	0.228	39%	0.393	C	S	.	.			trans	-56.1	135.3	177.4	170.7	-105.8	0	0	0	112.2	F287 R288 I289 K290 N292	F287-F295 WeakPolarHBondContact O-CA 3.33Å; R288-F295 VanDerWaalsContact C-CD2 3.5Å; R288-F295 VanDerWaalsContact O-CE2 3.28Å; R288-F295 WeakPolarHBondContact O-CE2 3.38Å; I289-F295 VanDerWaalsContact C-CD2 3.49Å; I289-F295 WeakPolarHBondContact O-CB 3.42Å; I289-F295 WeakPolarHBondContact O-CD2 3.37Å; K290-F295 HydrophobicContact CG-CD2 4.31Å; K290-F295 HydrophobicContact CG-CE1 4.21Å; K290-F295 HydrophobicContact CG-CE2 3.89Å; K290-F295 HydrophobicContact CG-CZ 3.83Å; N292-F295 WeakPolarHBondContact O-CB 3.34Å; N292-F295 PolarHBondContact O-N 3.19Å
296	I	94.8	Very high	95	Very high	3 Å²	3	80.2 Å²	80.2	2%	0.015	37%	0.369	C	S	.	.			trans	-143.5	135	167.7	-168.2	160.6	0	0	0	111.8	P286 F287 R288 W294 K300 Y306 F335 F337	P286-I296 HydrophobicContact CB-CG2 3.63Å; F287-I296 PolarHBondContact O-N 3.33Å; R288-I296 WeakPolarHBondContact CD-O 3.4Å; R288-I296 PolarHBondContact NH1-O 3.44Å; W294-I296 PolarHBondContact O-N 2.88Å; I296-K300 HydrophobicContact CD1-CB 4.17Å; I296-K300 HydrophobicContact CD1-CD 4.09Å; I296-K300 HydrophobicContact CD1-CG 4.02Å; I296-K300 HydrophobicContact CG1-CB 3.82Å; I296-K300 HydrophobicContact CG1-CD 4.19Å; I296-K300 HydrophobicContact CG1-CG 4.17Å; I296-Y306 WeakPolarHBondContact CG2-OH 3.27Å; I296-F335 HydrophobicContact CD1-CD2 3.91Å; I296-F335 HydrophobicContact CD1-CE1 4.47Å; I296-F335 HydrophobicContact CD1-CE2 3.08Å; I296-F335 HydrophobicContact CD1-CZ 3.42Å; I296-F335 VanDerWaalsContact CD1-CZ 3.42Å; I296-F337 HydrophobicContact CB-CE2 4.08Å; I296-F337 HydrophobicContact CB-CZ 4.33Å; I296-F337 HydrophobicContact CD1-CE2 4.07Å; I296-F337 HydrophobicContact CG2-CE2 4.25Å
297	S	95.5	Very high	94.9	Very high	44 Å²	44	80.5 Å²	80.5	31%	0.308	37%	0.37	S	S	.	.			trans	-75	154.4	179.9	71.9	0	0	0	0	112.2	R288 Y299 K300 Y301	R288-S297 PolarHBondContact NH1-O 2.89Å; S297-Y299 PolarHBondContact O-N 3.47Å; S297-K300 PolarHBondContact O-N 2.83Å; S297-K300 VanDerWaalsContact O-N 3.1Å; S297-K300 PolarHBondContact OG-N 3.27Å; S297-Y301 PolarHBondContact O-N 2.77Å
298	K	96.2	Very high	95	Very high	156 Å²	156	80.7 Å²	80.7	68%	0.678	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.5	173.6	-74.4	-174.8	178.5	178.6	0	112.3	Y301 P302	K298-Y301 WeakPolarHBondContact CA-O 3.32Å; K298-Y301 CarbonylContact O-C 3.38Å; K298-P302 WeakPolarHBondContact O-CA 3.44Å
299	Y	94.2	Very high	95	Very high	203 Å²	203	78.3 Å²	78.3	80%	0.796	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-44.7	173.4	177.6	-99.2	0	0	0	112	Y104 S297	Y104-Y299 PolarHBondContact OH-O 2.76Å; S297-Y299 PolarHBondContact O-N 3.47Å
300	K	93.4	Very high	95.1	Very high	82 Å²	82	72.8 Å²	72.8	36%	0.357	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-33.4	-179.8	-163.7	170.1	-163.8	174	0	112.7	F105 I296 S297 P336	F105-K300 WeakPolarHBondContact CZ-O 3.45Å; I296-K300 HydrophobicContact CD1-CB 4.17Å; I296-K300 HydrophobicContact CD1-CD 4.09Å; I296-K300 HydrophobicContact CD1-CG 4.02Å; I296-K300 HydrophobicContact CG1-CB 3.82Å; I296-K300 HydrophobicContact CG1-CD 4.19Å; I296-K300 HydrophobicContact CG1-CG 4.17Å; S297-K300 PolarHBondContact O-N 2.83Å; S297-K300 VanDerWaalsContact O-N 3.1Å; S297-K300 PolarHBondContact OG-N 3.27Å; K300-P336 HydrophobicContact CD-CG 4.27Å; K300-P336 VanDerWaalsContact NZ-CG 3.28Å
301	Y	95.6	Very high	95.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.313	C	S	.	.			trans	-141.8	104.3	175.9	-171.1	-90.7	0	0	0	109.8	Y101 F105 P286 R288 S297 K298 F303 Y305 Y306 F335 I344	Y101-Y301 HydrophobicContact CD1-CE2 4.38Å; Y101-Y301 WeakPolarHBondContact CD1-OH 3.37Å; Y101-Y301 WeakPolarHBondContact CE1-OH 3.17Å; F105-Y301 AromaticContact CE2-CD2 3.63Å; F105-Y301 HydrophobicContact CE2-CD2 3.63Å; F105-Y301 AromaticContact CE2-CE2 3.86Å; F105-Y301 HydrophobicContact CE2-CE2 3.86Å; F105-Y301 AromaticContact CZ-CD2 3.62Å; F105-Y301 HydrophobicContact CZ-CD2 3.62Å; F105-Y301 HydrophobicContact CZ-CE2 4.32Å; P286-Y301 HydrophobicContact CB-CD1 4.28Å; P286-Y301 HydrophobicContact CG-CD1 3.58Å; P286-Y301 HydrophobicContact CG-CE1 3.61Å; R288-Y301 PolarHBondContact NH1-O 3.23Å; R288-Y301 PolarHBondContact NH2-O 2.76Å; S297-Y301 PolarHBondContact O-N 2.77Å; K298-Y301 WeakPolarHBondContact CA-O 3.32Å; K298-Y301 CarbonylContact O-C 3.38Å; Y301-F303 HydrophobicContact CD1-CB 4.27Å; Y301-F303 HydrophobicContact CD1-CD2 4.46Å; Y301-F303 WeakPolarHBondContact CD1-O 3.29Å; Y301-F303 HydrophobicContact CD2-CD2 4.35Å; Y301-F303 HydrophobicContact CE1-CB 3.53Å; Y301-F303 HydrophobicContact CE1-CD2 4.03Å; Y301-F303 HydrophobicContact CE1-CG 4.29Å; Y301-F303 WeakPolarHBondContact CE1-O 3.44Å; Y301-F303 AromaticContact CE2-CD2 3.85Å; Y301-F303 HydrophobicContact CE2-CD2 3.85Å; Y301-F303 AromaticContact CZ-CD2 3.67Å; Y301-Y305 PolarHBondContact OH-O 2.94Å; Y301-Y306 HydrophobicContact CD1-CD1 4.3Å; Y301-Y306 AromaticContact CD1-CE1 3.88Å; Y301-Y306 HydrophobicContact CD1-CE1 3.88Å; Y301-Y306 HydrophobicContact CD2-CD1 4.26Å; Y301-Y306 AromaticContact CD2-CE1 3.9Å; Y301-Y306 HydrophobicContact CD2-CE1 3.9Å; Y301-Y306 AromaticContact CE1-CD1 3.67Å; Y301-Y306 HydrophobicContact CE1-CD1 3.67Å; Y301-Y306 AromaticContact CE1-CE1 3.73Å; Y301-Y306 HydrophobicContact CE1-CE1 3.73Å; Y301-Y306 AromaticContact CE2-CD1 3.68Å; Y301-Y306 HydrophobicContact CE2-CD1 3.68Å; Y301-Y306 AromaticContact CE2-CE1 3.81Å; Y301-Y306 HydrophobicContact CE2-CE1 3.81Å; Y301-Y306 AromaticContact CG-CE1 3.97Å; Y301-Y306 HydrophobicContact CG-CE1 3.97Å; Y301-Y306 AromaticContact CZ-CD1 3.35Å; Y301-Y306 AromaticContact CZ-CE1 3.73Å; Y301-Y306 WeakPolarHBondContact OH-CA 3.45Å; Y301-F335 AromaticContact CD2-CE2 3.82Å; Y301-F335 HydrophobicContact CD2-CE2 3.82Å; Y301-F335 HydrophobicContact CD2-CZ 4.25Å; Y301-F335 HydrophobicContact CG-CE2 4.37Å; Y301-I344 HydrophobicContact CE2-CD1 4.25Å
302	P	96.1	Very high	95.1	Very high	61 Å²	61	60.4 Å²	60.4	40%	0.396	28%	0.276	S	S	.	.			trans	-83.2	-16.1	-171.9	31.4	-36.3	0	0	0	113.9	Y104 K298	Y104-P302 HydrophobicContact CD2-CG 4.1Å; Y104-P302 HydrophobicContact CE1-CG 4.12Å; Y104-P302 HydrophobicContact CE2-CG 3.69Å; Y104-P302 HydrophobicContact CG-CG 4.49Å; Y104-P302 VanDerWaalsContact CZ-CD 3.49Å; K298-P302 WeakPolarHBondContact O-CA 3.44Å
303	F	95.9	Very high	95.2	Very high	40 Å²	40	59.1 Å²	59.1	18%	0.175	27%	0.27	C	S	.	.	S	Bend	trans	-78.2	155.9	-173.6	-45.7	-81	0	0	0	112.7	K100 Y101 Y104 R288 Y301	K100-F303 HydrophobicContact CB-CE1 4.41Å; K100-F303 HydrophobicContact CD-CD1 4.33Å; K100-F303 HydrophobicContact CD-CE1 4.07Å; K100-F303 HydrophobicContact CG-CD1 4.44Å; K100-F303 HydrophobicContact CG-CE1 3.87Å; K100-F303 HydrophobicContact CG-CZ 4.27Å; K100-F303 WeakPolarHBondContact O-CZ 3.49Å; Y101-F303 HydrophobicContact CD1-CB 4.27Å; Y101-F303 HydrophobicContact CD1-CD1 4.31Å; Y101-F303 AromaticContact CD1-CD2 3.47Å; Y101-F303 HydrophobicContact CD1-CD2 3.47Å; Y101-F303 VanDerWaalsContact CD1-CD2 3.47Å; Y101-F303 AromaticContact CD1-CE2 3.77Å; Y101-F303 HydrophobicContact CD1-CE2 3.77Å; Y101-F303 AromaticContact CD1-CG 3.76Å; Y101-F303 HydrophobicContact CD1-CG 3.76Å; Y101-F303 HydrophobicContact CD1-CZ 4.3Å; Y101-F303 HydrophobicContact CE1-CB 3.73Å; Y101-F303 HydrophobicContact CE1-CD1 4.15Å; Y101-F303 AromaticContact CE1-CD2 3.84Å; Y101-F303 HydrophobicContact CE1-CD2 3.84Å; Y101-F303 HydrophobicContact CE1-CE2 4.48Å; Y101-F303 AromaticContact CE1-CG 3.64Å; Y101-F303 HydrophobicContact CE1-CG 3.64Å; Y104-F303 HydrophobicContact CD1-CE2 4.27Å; Y104-F303 HydrophobicContact CG-CE2 4.04Å; Y104-F303 HydrophobicContact CG-CZ 4.16Å; R288-F303 PolarHBondContact NH2-O 2.9Å; R288-F303 VanDerWaalsContact NH2-O 3.17Å; Y301-F303 HydrophobicContact CD1-CB 4.27Å; Y301-F303 HydrophobicContact CD1-CD2 4.46Å; Y301-F303 WeakPolarHBondContact CD1-O 3.29Å; Y301-F303 HydrophobicContact CD2-CD2 4.35Å; Y301-F303 HydrophobicContact CE1-CB 3.53Å; Y301-F303 HydrophobicContact CE1-CD2 4.03Å; Y301-F303 HydrophobicContact CE1-CG 4.29Å; Y301-F303 WeakPolarHBondContact CE1-O 3.44Å; Y301-F303 AromaticContact CE2-CD2 3.85Å; Y301-F303 HydrophobicContact CE2-CD2 3.85Å; Y301-F303 AromaticContact CZ-CD2 3.67Å
304	K	95.9	Very high	95.5	Very high	152 Å²	152	53.1 Å²	53.1	66%	0.661	25%	0.245	S	C	*	.	S	Bend	trans	-71.7	-37.7	-179.7	-173.5	177.7	-179.9	-168	0	113.1	P286	P286-K304 WeakPolarHBondContact CD-O 3.28Å
305	Y	96.5	Very high	95.8	Very high	82 Å²	82	50.4 Å²	50.4	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-128	152.3	-178	-57.2	-72.4	0	0	0	109.7	Y101 K283 G284 I285 Y301	Y101-Y305 WeakPolarHBondContact CE1-O 3.34Å; K283-Y305 HydrophobicContact CB-CD1 4.12Å; K283-Y305 HydrophobicContact CB-CG 4.33Å; K283-Y305 VanDerWaalsContact O-CD1 3.3Å; K283-Y305 WeakPolarHBondContact O-CD1 3.38Å; G284-Y305 CarbonylContact O-C 3.53Å; G284-Y305 WeakPolarHBondContact O-CA 3.33Å; I285-Y305 HydrophobicContact CD1-CE1 4.14Å; I285-Y305 HydrophobicContact CG1-CD1 3.79Å; I285-Y305 HydrophobicContact CG1-CE1 3.77Å; Y301-Y305 PolarHBondContact OH-O 2.94Å
306	Y	96.3	Very high	96	Very high	9 Å²	9	48 Å²	48	4%	0.035	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-71.8	151.1	159.4	-60.5	-52.7	0	0	0	110.4	G284 P286 I296 Y301 Y309 F335 F337 V340	G284-Y306 WeakPolarHBondContact O-CD2 3.22Å; G284-Y306 PolarHBondContact O-N 3.27Å; P286-Y306 HydrophobicContact CB-CE1 4.09Å; P286-Y306 HydrophobicContact CB-CE2 4.01Å; P286-Y306 WeakPolarHBondContact CB-OH 2.82Å; P286-Y306 HydrophobicContact CG-CD1 4.16Å; P286-Y306 HydrophobicContact CG-CD2 4.33Å; P286-Y306 HydrophobicContact CG-CE1 3.71Å; P286-Y306 HydrophobicContact CG-CE2 3.93Å; P286-Y306 HydrophobicContact CG-CG 4.46Å; I296-Y306 WeakPolarHBondContact CG2-OH 3.27Å; Y301-Y306 HydrophobicContact CD1-CD1 4.3Å; Y301-Y306 AromaticContact CD1-CE1 3.88Å; Y301-Y306 HydrophobicContact CD1-CE1 3.88Å; Y301-Y306 HydrophobicContact CD2-CD1 4.26Å; Y301-Y306 AromaticContact CD2-CE1 3.9Å; Y301-Y306 HydrophobicContact CD2-CE1 3.9Å; Y301-Y306 AromaticContact CE1-CD1 3.67Å; Y301-Y306 HydrophobicContact CE1-CD1 3.67Å; Y301-Y306 AromaticContact CE1-CE1 3.73Å; Y301-Y306 HydrophobicContact CE1-CE1 3.73Å; Y301-Y306 AromaticContact CE2-CD1 3.68Å; Y301-Y306 HydrophobicContact CE2-CD1 3.68Å; Y301-Y306 AromaticContact CE2-CE1 3.81Å; Y301-Y306 HydrophobicContact CE2-CE1 3.81Å; Y301-Y306 AromaticContact CG-CE1 3.97Å; Y301-Y306 HydrophobicContact CG-CE1 3.97Å; Y301-Y306 AromaticContact CZ-CD1 3.35Å; Y301-Y306 AromaticContact CZ-CE1 3.73Å; Y301-Y306 WeakPolarHBondContact OH-CA 3.45Å; Y306-Y309 AromaticContact CD2-CE1 3.85Å; Y306-Y309 HydrophobicContact CD2-CE1 3.85Å; Y306-Y309 HydrophobicContact CG-CE1 4.22Å; Y306-F335 HydrophobicContact CE1-CZ 4.01Å; Y306-F337 WeakPolarHBondContact OH-CE2 3.38Å; Y306-V340 HydrophobicContact CD1-CG1 3.36Å; Y306-V340 HydrophobicContact CD1-CG2 4.35Å; Y306-V340 HydrophobicContact CD2-CG2 4.11Å; Y306-V340 HydrophobicContact CE1-CG1 3.67Å; Y306-V340 HydrophobicContact CE1-CG2 4.41Å; Y306-V340 HydrophobicContact CE2-CG2 4.14Å; Y306-V340 HydrophobicContact CG-CG1 3.84Å; Y306-V340 HydrophobicContact CG-CG2 4.21Å
307	P	96.3	Very high	96.1	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.052	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-60	169.6	159.4	28.9	-32.8	0	0	0	109.6	Y101 Y309 I344 D347	Y101-P307 HydrophobicContact CD2-CB 4.08Å; Y101-P307 HydrophobicContact CD2-CG 4.08Å; Y101-P307 HydrophobicContact CE2-CB 3.97Å; Y101-P307 HydrophobicContact CE2-CG 4.31Å; Y101-P307 HydrophobicContact CG-CG 4.32Å; P307-Y309 WeakPolarHBondContact O-CD1 3.45Å; P307-Y309 PolarHBondContact O-N 3.26Å; P307-I344 HydrophobicContact CG-CB 4.4Å; P307-I344 HydrophobicContact CG-CG1 3.71Å; P307-D347 HydrophobicContact CB-CB 3.85Å; P307-D347 HydrophobicContact CG-CB 4.45Å
308	N	97.3	Very high	96.3	Very high	78 Å²	78	45.8 Å²	45.8	42%	0.417	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-62.7	133.3	174.7	-63.8	-18.5	0	0	0	109.3	V280 I281 K282 K283 G343 I353	V280-N308 HydrophobicContact CG1-CB 4.13Å; I281-N308 WeakPolarHBondContact O-CA 3.47Å; K282-N308 WeakPolarHBondContact CA-OD1 3.31Å; K283-N308 PolarHBondContact N-OD1 2.94Å; N308-G343 WeakPolarHBondContact O-CA 3.46Å; N308-I353 HydrophobicContact CB-CD1 4.45Å; N308-I353 WeakPolarHBondContact O-CD1 3.43Å
309	Y	97.8	Very high	96.3	Very high	28 Å²	28	40.3 Å²	40.3	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150	179.4	66.2	-87.6	0	0	0	110.8	V280 I281 Y306 P307 D339 V340	V280-Y309 WeakPolarHBondContact CA-O 3.44Å; I281-Y309 HydrophobicContact CB-CD1 4.17Å; I281-Y309 HydrophobicContact CB-CD2 4.39Å; I281-Y309 HydrophobicContact CB-CE1 3.71Å; I281-Y309 HydrophobicContact CB-CE2 3.97Å; I281-Y309 HydrophobicContact CB-CG 4.49Å; I281-Y309 HydrophobicContact CG1-CD2 4.42Å; I281-Y309 HydrophobicContact CG1-CE1 4.41Å; I281-Y309 HydrophobicContact CG1-CE2 3.8Å; I281-Y309 HydrophobicContact CG2-CE1 3.71Å; I281-Y309 PolarHBondContact N-O 3.34Å; I281-Y309 PolarHBondContact O-N 3.33Å; Y306-Y309 AromaticContact CD2-CE1 3.85Å; Y306-Y309 HydrophobicContact CD2-CE1 3.85Å; Y306-Y309 HydrophobicContact CG-CE1 4.22Å; P307-Y309 WeakPolarHBondContact O-CD1 3.45Å; P307-Y309 PolarHBondContact O-N 3.26Å; Y309-D339 WeakPolarHBondContact CB-O 3.31Å; Y309-D339 HydrophobicContact CD2-CB 4.02Å; Y309-V340 HydrophobicContact CD1-CG2 4.13Å; Y309-V340 HydrophobicContact CD2-CG2 4.11Å; Y309-V340 HydrophobicContact CE1-CG2 4.02Å; Y309-V340 HydrophobicContact CE2-CG2 3.98Å; Y309-V340 HydrophobicContact CG-CG2 4.18Å
310	P	97.7	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.3	171.5	31.9	-28.4	0	0	0	108.9	Y279 G312 I315 D339 I342 I353	Y279-P310 CarbonylContact O-C 3.53Å; P310-G312 PolarHBondContact O-N 2.85Å; P310-I315 HydrophobicContact CB-CD1 4.42Å; P310-I315 HydrophobicContact CB-CG1 4.09Å; P310-I315 HydrophobicContact CB-CG2 4.41Å; P310-I315 HydrophobicContact CG-CD1 3.89Å; P310-I315 HydrophobicContact CG-CG1 4.04Å; P310-I315 HydrophobicContact CG-CG2 4.03Å; P310-D339 WeakPolarHBondContact O-CB 3.38Å; P310-I342 HydrophobicContact CG-CG2 4.04Å; P310-I353 HydrophobicContact CB-CG2 4.16Å; P310-I353 HydrophobicContact CG-CD1 4.49Å
311	L	95.8	Very high	96.7	Very high	48 Å²	48	28.4 Å²	28.4	25%	0.251	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	136.3	177.2	-168.2	72.6	0	0	0	110.9	Y279 I281 G313 L361	Y279-L311 HydrophobicContact CD1-CB 4.46Å; Y279-L311 PolarHBondContact O-N 3.38Å; I281-L311 HydrophobicContact CD1-CD1 4.36Å; I281-L311 HydrophobicContact CG1-CB 4.35Å; I281-L311 HydrophobicContact CG1-CD1 4.13Å; L311-G313 PolarHBondContact O-N 3.2Å; L311-L361 HydrophobicContact CD2-CD1 3.87Å; L311-L361 HydrophobicContact CD2-CD2 3.38Å; L311-L361 HydrophobicContact CD2-CG 4.25Å
312	G	91.2	Very high	96.8	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	-11.9	-167.5	0	0	0	0	0	117.8	K151 P310 D339	K151-G312 WeakPolarHBondContact CE-O 3.38Å; K151-G312 PolarHBondContact NZ-O 3.32Å; P310-G312 PolarHBondContact O-N 2.85Å; G312-D339 PolarHBondContact N-OD2 2.93Å; G312-D339 VanDerWaalsContact N-OD2 3.11Å
313	G	93.9	Very high	96.9	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-28.4	-177	0	0	0	0	0	114.9	I249 D250 F253 L311	I249-G313 WeakPolarHBondContact CA-O 3.33Å; I249-G313 VanDerWaalsContact CG1-O 3.24Å; I249-G313 WeakPolarHBondContact CG1-O 3.42Å; D250-G313 PolarHBondContact N-O 2.83Å; D250-G313 WeakPolarHBondContact OD2-CA 3.36Å; F253-G313 VanDerWaalsContact CE2-CA 3.48Å; L311-G313 PolarHBondContact O-N 3.2Å
314	T	98	Very high	96.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	117.9	178.7	-63.2	0	0	0	0	110.5	L247 I359 T374	L247-T314 HydrophobicContact CD1-CG2 3.91Å; T314-I359 HydrophobicContact CG2-CD1 3.79Å; T314-I359 HydrophobicContact CG2-CG1 4.24Å; T314-T374 WeakPolarHBondContact CB-OG1 3.32Å; T314-T374 HydrophobicContact CG2-CG2 3.57Å; T314-T374 WeakPolarHBondContact OG1-CB 3Å; T314-T374 PolarHBondContact OG1-OG1 3.28Å
315	I	98.6	Very high	97	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.1	179.6	-50.1	176.1	0	0	0	108.8	L247 I248 I276 P310 M317 I342	L247-I315 WeakPolarHBondContact CA-O 3.42Å; I248-I315 PolarHBondContact N-O 2.73Å; I248-I315 PolarHBondContact O-N 3.33Å; I276-I315 HydrophobicContact CD1-CG2 3.98Å; I276-I315 HydrophobicContact CG1-CG2 4.16Å; P310-I315 HydrophobicContact CB-CD1 4.42Å; P310-I315 HydrophobicContact CB-CG1 4.09Å; P310-I315 HydrophobicContact CB-CG2 4.41Å; P310-I315 HydrophobicContact CG-CD1 3.89Å; P310-I315 HydrophobicContact CG-CG1 4.04Å; P310-I315 HydrophobicContact CG-CG2 4.03Å; I315-M317 HydrophobicContact CG2-CE 3.65Å; I315-I342 HydrophobicContact CD1-CD1 3.49Å; I315-I342 VanDerWaalsContact CD1-CD1 3.49Å
316	I	98.6	Very high	97	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	177.1	-55.8	161	0	0	0	107.9	I246 L247 L260 L263 L264 Y275 I276 S277 I356	I246-I316 CarbonylContact O-C 3.6Å; I246-I316 WeakPolarHBondContact O-CA 3.22Å; L247-I316 HydrophobicContact CB-CG1 4.5Å; L247-I316 HydrophobicContact CD1-CG1 3.63Å; L260-I316 HydrophobicContact CD1-CD1 3.74Å; L260-I316 HydrophobicContact CD1-CG1 4.46Å; L263-I316 HydrophobicContact CD1-CD1 4.38Å; L263-I316 HydrophobicContact CD2-CD1 3.99Å; L263-I316 HydrophobicContact CD2-CG2 4.42Å; L264-I316 HydrophobicContact CD2-CG2 4.04Å; Y275-I316 HydrophobicContact CE1-CG2 4.17Å; I276-I316 CarbonylContact C-O 3.38Å; I276-I316 VanDerWaalsContact CA-O 3.29Å; I276-I316 WeakPolarHBondContact CA-O 3.47Å; S277-I316 PolarHBondContact N-O 3.15Å; S277-I316 PolarHBondContact O-N 3.46Å; I316-I356 HydrophobicContact CD1-CD1 4.43Å
317	M	98.4	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.3	178.7	65.7	-171.6	77.3	0	0	111.8	F245 I246 I248 Y275 I276 I315 V321 M322 L325	F245-M317 CarbonylContact C-O 3.48Å; F245-M317 WeakPolarHBondContact CA-O 3.28Å; I246-M317 HydrophobicContact CB-CG 3.97Å; I246-M317 PolarHBondContact N-O 2.79Å; I246-M317 PolarHBondContact O-N 3.46Å; I248-M317 HydrophobicContact CD1-CE 4.17Å; Y275-M317 WeakPolarHBondContact O-CA 3.47Å; I276-M317 HydrophobicContact CB-CB 4.06Å; I276-M317 HydrophobicContact CD1-CB 3.96Å; I276-M317 HydrophobicContact CD1-CE 3.94Å; I276-M317 HydrophobicContact CD1-SD 4.48Å; I276-M317 HydrophobicContact CG1-CB 3.96Å; I315-M317 HydrophobicContact CG2-CE 3.65Å; M317-V321 HydrophobicContact CB-CB 4.48Å; M317-V321 HydrophobicContact CB-CG1 4.42Å; M317-M322 HydrophobicContact CG-CB 4.17Å; M317-M322 HydrophobicContact SD-CB 3.8Å; M317-M322 HydrophobicContact SD-CG 4.31Å; M317-L325 HydrophobicContact CE-CD2 4Å; M317-L325 HydrophobicContact SD-CD2 3.89Å
318	S	98.3	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	159.7	169.5	62.4	0	0	0	0	111.2	Y272 Y275 V321 M322	Y272-S318 WeakPolarHBondContact O-CB 2.96Å; Y272-S318 PolarHBondContact O-OG 2.88Å; Y275-S318 PolarHBondContact O-N 3.38Å; Y275-S318 PolarHBondContact O-OG 3.31Å; Y275-S318 VanDerWaalsContact O-OG 3.14Å; S318-V321 PolarHBondContact O-N 2.7Å; S318-V321 WeakPolarHBondContact OG-CG2 3.32Å; S318-M322 PolarHBondContact O-N 3.13Å
319	R	97	Very high	96.9	Very high	42 Å²	42	21.5 Å²	21.5	16%	0.158	10%	0.102	C	C	.	.	H	α-helix	trans	-57.2	-44.2	175.6	179	170.6	-178.9	73.8	6.1	114	A236 K237 C240 I241 T243 K244 I246 V321 M322 Y323	A236-R319 PolarHBondContact O-NH1 2.71Å; K237-R319 PolarHBondContact O-NH2 2.84Å; K237-R319 VanDerWaalsContact O-NH2 3.1Å; C240-R319 PolarHBondContact O-NH1 2.83Å; I241-R319 PolarHBondContact O-NE 3.09Å; I241-R319 VanDerWaalsContact O-NE 3.08Å; T243-R319 VanDerWaalsContact O-CB 3.28Å; T243-R319 WeakPolarHBondContact O-CB 3.41Å; T243-R319 WeakPolarHBondContact O-CD 3.41Å; K244-R319 PolarHBondContact O-N 2.92Å; I246-R319 HydrophobicContact CD1-CB 4.18Å; R319-V321 VanDerWaalsContact C-N 3.32Å; R319-V321 PolarHBondContact O-N 3.29Å; R319-M322 HydrophobicContact CG-CE 4.16Å; R319-M322 VanDerWaalsContact NH1-CE 3.33Å; R319-M322 PolarHBondContact O-N 2.73Å; R319-Y323 PolarHBondContact O-N 3.26Å
320	P	97.5	Very high	96.8	Very high	34 Å²	34	23.2 Å²	23.2	22%	0.221	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-42.4	177.2	-26.8	37	0	0	0	112.9	Y272 Y323 H324	Y272-P320 HydrophobicContact CD1-CG 4.34Å; Y272-P320 HydrophobicContact CE1-CG 3.83Å; P320-Y323 WeakPolarHBondContact O-CB 3.47Å; P320-Y323 PolarHBondContact O-N 2.84Å; P320-H324 PolarHBondContact O-CD2 3.19Å; P320-H324 PolarHBondContact O-N 3.26Å; P320-H324 VanDerWaalsContact O-N 3.1Å
321	V	98.4	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-44	176.7	177.1	0	0	0	0	111.3	Y275 I276 M317 S318 R319 Y323 H324 L325 L346 I351	Y275-V321 WeakPolarHBondContact O-CG2 3.33Å; I276-V321 HydrophobicContact CB-CG1 4.09Å; I276-V321 HydrophobicContact CD1-CG1 4.21Å; I276-V321 HydrophobicContact CG2-CG1 4.29Å; M317-V321 HydrophobicContact CB-CB 4.48Å; M317-V321 HydrophobicContact CB-CG1 4.42Å; S318-V321 PolarHBondContact O-N 2.7Å; S318-V321 WeakPolarHBondContact OG-CG2 3.32Å; R319-V321 VanDerWaalsContact C-N 3.32Å; R319-V321 PolarHBondContact O-N 3.29Å; V321-Y323 VanDerWaalsContact C-N 3.28Å; V321-Y323 PolarHBondContact O-N 3.05Å; V321-H324 PolarHBondContact O-N 3.4Å; V321-L325 WeakPolarHBondContact O-CB 3.4Å; V321-L325 PolarHBondContact O-N 3.41Å; V321-L346 HydrophobicContact CG1-CD2 4.01Å; V321-I351 HydrophobicContact CG2-CD1 4.33Å
322	M	97.8	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-42.1	175.2	179.1	-78.7	-68	0	0	111.7	I233 A236 K237 I246 M317 S318 R319 L325 Y326	I233-M322 HydrophobicContact CG2-CG 3.95Å; I233-M322 HydrophobicContact CG2-SD 3.71Å; A236-M322 HydrophobicContact CB-CE 4.01Å; A236-M322 HydrophobicContact CB-SD 4.19Å; K237-M322 HydrophobicContact CB-CE 4.47Å; K237-M322 HydrophobicContact CB-SD 4.25Å; I246-M322 HydrophobicContact CD1-CB 3.7Å; I246-M322 HydrophobicContact CD1-CE 4.15Å; I246-M322 HydrophobicContact CD1-CG 3.97Å; I246-M322 HydrophobicContact CG1-CB 4.35Å; I246-M322 HydrophobicContact CG1-CG 4.14Å; M317-M322 HydrophobicContact CG-CB 4.17Å; M317-M322 HydrophobicContact SD-CB 3.8Å; M317-M322 HydrophobicContact SD-CG 4.31Å; S318-M322 PolarHBondContact O-N 3.13Å; R319-M322 HydrophobicContact CG-CE 4.16Å; R319-M322 VanDerWaalsContact NH1-CE 3.33Å; R319-M322 PolarHBondContact O-N 2.73Å; M322-L325 WeakPolarHBondContact O-CB 3.39Å; M322-L325 PolarHBondContact O-N 3.18Å; M322-Y326 PolarHBondContact O-N 3.3Å
323	Y	97.3	Very high	96.7	Very high	105 Å²	105	28.3 Å²	28.3	41%	0.412	13%	0.127	S	C	.	.	H	α-helix	trans	-61.5	-50.7	177.6	-174.6	-84.2	0	0	0	111.8	K237 R319 P320 V321 L325 Y326 E327	K237-Y323 HydrophobicContact CD-CD2 4.34Å; K237-Y323 HydrophobicContact CD-CE2 4.35Å; K237-Y323 HydrophobicContact CG-CD2 4.25Å; K237-Y323 HydrophobicContact CG-CE2 4.48Å; R319-Y323 PolarHBondContact O-N 3.26Å; P320-Y323 WeakPolarHBondContact O-CB 3.47Å; P320-Y323 PolarHBondContact O-N 2.84Å; V321-Y323 VanDerWaalsContact C-N 3.28Å; V321-Y323 PolarHBondContact O-N 3.05Å; Y323-L325 VanDerWaalsContact C-N 3.29Å; Y323-L325 PolarHBondContact O-N 2.76Å; Y323-Y326 WeakPolarHBondContact O-CB 3.38Å; Y323-Y326 PolarHBondContact O-N 3.02Å; Y323-E327 HydrophobicContact CD1-CG 4.32Å; Y323-E327 HydrophobicContact CE1-CG 3.98Å; Y323-E327 PolarHBondContact O-N 2.91Å
324	H	97.4	Very high	96.6	Very high	87 Å²	87	30.5 Å²	30.5	40%	0.403	14%	0.138	S	C	.	.	H	α-helix	trans	-63.2	-36.9	177.5	-66.2	-55.2	0	0	0	112.6	P320 V321 E327 L328 L349	P320-H324 PolarHBondContact O-CD2 3.19Å; P320-H324 PolarHBondContact O-N 3.26Å; P320-H324 VanDerWaalsContact O-N 3.1Å; V321-H324 PolarHBondContact O-N 3.4Å; H324-E327 PolarHBondContact O-N 3.27Å; H324-L328 PolarHBondContact O-N 2.73Å; H324-L349 HydrophobicContact CB-CD1 3.72Å; H324-L349 HydrophobicContact CB-CD2 4.25Å
325	L	97.2	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-44.2	176	-178.7	62.1	0	0	0	111	I233 M317 V321 M322 Y323 L328 L329 I342 V345	I233-L325 HydrophobicContact CD1-CD2 3.57Å; I233-L325 HydrophobicContact CD1-CG 4.03Å; M317-L325 HydrophobicContact CE-CD2 4Å; M317-L325 HydrophobicContact SD-CD2 3.89Å; V321-L325 WeakPolarHBondContact O-CB 3.4Å; V321-L325 PolarHBondContact O-N 3.41Å; M322-L325 WeakPolarHBondContact O-CB 3.39Å; M322-L325 PolarHBondContact O-N 3.18Å; Y323-L325 VanDerWaalsContact C-N 3.29Å; Y323-L325 PolarHBondContact O-N 2.76Å; L325-L328 PolarHBondContact O-N 3.02Å; L325-L329 HydrophobicContact CD1-CD1 3.73Å; L325-L329 HydrophobicContact CD1-CD2 4.48Å; L325-L329 HydrophobicContact CD1-CG 3.87Å; L325-L329 HydrophobicContact CD2-CD1 4.27Å; L325-L329 HydrophobicContact CG-CD1 3.6Å; L325-L329 HydrophobicContact CG-CG 4.15Å; L325-L329 VanDerWaalsContact O-CB 3.31Å; L325-L329 WeakPolarHBondContact O-CB 3.16Å; L325-L329 VanDerWaalsContact O-CG 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.9Å; L325-I342 HydrophobicContact CD1-CG1 4.31Å; L325-I342 HydrophobicContact CD1-CG2 4.44Å; L325-I342 HydrophobicContact CD2-CG1 4.14Å; L325-I342 HydrophobicContact CD2-CG2 4.41Å; L325-V345 HydrophobicContact CD1-CB 3.73Å; L325-V345 HydrophobicContact CD1-CG1 3.58Å; L325-V345 HydrophobicContact CD1-CG2 4.32Å
326	Y	96.8	Very high	95.8	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-50.1	176.2	179.2	-104.4	0	0	0	112.8	I233 E234 K237 F238 M322 Y323 L328 L329 R330	I233-Y326 HydrophobicContact CG2-CD2 3.86Å; I233-Y326 HydrophobicContact CG2-CG 4.11Å; E234-Y326 HydrophobicContact CB-CD2 4.23Å; E234-Y326 HydrophobicContact CB-CE2 3.54Å; E234-Y326 HydrophobicContact CG-CE2 3.75Å; E234-Y326 WeakPolarHBondContact OE2-CE2 3.45Å; E234-Y326 PolarHBondContact OE2-OH 3.35Å; K237-Y326 HydrophobicContact CD-CD1 3.18Å; K237-Y326 HydrophobicContact CD-CE1 3.51Å; K237-Y326 HydrophobicContact CD-CG 3.81Å; F238-Y326 HydrophobicContact CE2-CE1 4.21Å; F238-Y326 AromaticContact CE2-CZ 3.98Å; F238-Y326 HydrophobicContact CZ-CE1 4.33Å; M322-Y326 PolarHBondContact O-N 3.3Å; Y323-Y326 WeakPolarHBondContact O-CB 3.38Å; Y323-Y326 PolarHBondContact O-N 3.02Å; Y326-L328 PolarHBondContact O-N 3.43Å; Y326-L328 VanDerWaalsContact O-N 3.13Å; Y326-L329 PolarHBondContact O-N 3.03Å; Y326-R330 HydrophobicContact CE2-CB 4.43Å; Y326-R330 WeakPolarHBondContact O-CG 3.48Å; Y326-R330 PolarHBondContact O-N 3.19Å
327	E	96.2	Very high	95.6	Very high	56 Å²	56	30.8 Å²	30.8	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-56.9	-32.4	-176.5	-69.2	-50	131.2	0	0	112.4	K237 Y323 H324 R330 H331	K237-E327 WeakPolarHBondContact CE-OE1 3.39Å; K237-E327 IonicContact NZ-OE1 3.95Å; K237-E327 PolarHBondContact NZ-OE1 3.45Å; Y323-E327 HydrophobicContact CD1-CG 4.32Å; Y323-E327 HydrophobicContact CE1-CG 3.98Å; Y323-E327 PolarHBondContact O-N 2.91Å; H324-E327 PolarHBondContact O-N 3.27Å; E327-R330 WeakPolarHBondContact O-CG 3.43Å; E327-R330 IonicContact OE2-NH1 3.19Å; E327-H331 PolarHBondContact O-CD2 3.43Å
328	L	95.8	Very high	95.5	Very high	35 Å²	35	31.1 Å²	31.1	18%	0.183	14%	0.141	C	C	.	.	H	α-helix	trans	-91.5	-35.4	179.3	-65.2	-177.5	0	0	0	113.2	Y102 H324 L325 Y326 H331 V345 K348 L349	Y102-L328 HydrophobicContact CE1-CD2 4.2Å; Y102-L328 HydrophobicContact CE2-CB 3.74Å; Y102-L328 HydrophobicContact CE2-CD2 4.28Å; Y102-L328 HydrophobicContact CE2-CG 4.4Å; Y102-L328 WeakPolarHBondContact OH-CD2 3.41Å; Y102-L328 PolarHBondContact OH-O 3.08Å; H324-L328 PolarHBondContact O-N 2.73Å; L325-L328 PolarHBondContact O-N 3.02Å; Y326-L328 PolarHBondContact O-N 3.43Å; Y326-L328 VanDerWaalsContact O-N 3.13Å; L328-H331 PolarHBondContact O-N 3.31Å; L328-V345 HydrophobicContact CB-CG1 3.6Å; L328-V345 HydrophobicContact CB-CG2 4.19Å; L328-V345 HydrophobicContact CD1-CG1 3.7Å; L328-V345 HydrophobicContact CG-CG1 4.24Å; L328-K348 HydrophobicContact CD1-CG 4.3Å; L328-L349 HydrophobicContact CD1-CD1 4.05Å; L328-L349 HydrophobicContact CD1-CD2 3.55Å; L328-L349 HydrophobicContact CD1-CG 3.61Å
329	L	95.6	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-32.4	178	-77.4	178.2	0	0	0	113	N111 L229 I230 I233 L325 Y326 H331 I332 L341 V345	N111-L329 PolarHBondContact ND2-O 2.83Å; L229-L329 HydrophobicContact CD2-CD1 3.77Å; L229-L329 HydrophobicContact CG-CD1 4.09Å; I230-L329 HydrophobicContact CG1-CB 4.2Å; I233-L329 HydrophobicContact CD1-CD1 3.89Å; L325-L329 HydrophobicContact CD1-CD1 3.73Å; L325-L329 HydrophobicContact CD1-CD2 4.48Å; L325-L329 HydrophobicContact CD1-CG 3.87Å; L325-L329 HydrophobicContact CD2-CD1 4.27Å; L325-L329 HydrophobicContact CG-CD1 3.6Å; L325-L329 HydrophobicContact CG-CG 4.15Å; L325-L329 VanDerWaalsContact O-CB 3.31Å; L325-L329 WeakPolarHBondContact O-CB 3.16Å; L325-L329 VanDerWaalsContact O-CG 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.9Å; Y326-L329 PolarHBondContact O-N 3.03Å; L329-H331 PolarHBondContact O-N 3.04Å; L329-I332 HydrophobicContact CD2-CG2 4.35Å; L329-I332 WeakPolarHBondContact O-CG2 3.15Å; L329-I332 PolarHBondContact O-N 2.89Å; L329-L341 HydrophobicContact CD2-CB 4.23Å; L329-V345 HydrophobicContact CD2-CG2 3.81Å; L329-V345 HydrophobicContact CG-CG2 4.16Å
330	R	94.8	Very high	95.4	Very high	63 Å²	63	30 Å²	30	24%	0.238	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.3	177.6	71.4	-177.6	-63.3	-162.5	0.1	113.1	T110 N111 Y326 E327	T110-R330 CarbonylContact C-O 3.49Å; T110-R330 WeakPolarHBondContact CA-O 3.35Å; N111-R330 PolarHBondContact N-O 3Å; Y326-R330 HydrophobicContact CE2-CB 4.43Å; Y326-R330 WeakPolarHBondContact O-CG 3.48Å; Y326-R330 PolarHBondContact O-N 3.19Å; E327-R330 WeakPolarHBondContact O-CG 3.43Å; E327-R330 IonicContact OE2-NH1 3.19Å
331	H	95.6	Very high	95.3	Very high	55 Å²	55	28.4 Å²	28.4	26%	0.255	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	33.9	179.7	-62	-61.5	0	0	0	112.5	T107 T110 E327 L328 L329	T107-H331 VanDerWaalsContact CG2-C 3.45Å; T107-H331 WeakPolarHBondContact CG2-O 3.43Å; T107-H331 PolarHBondContact N-O 3.19Å; T110-H331 PolarHBondContact OG1-CE1 3.29Å; T110-H331 VanDerWaalsContact OG1-CE1 3.23Å; E327-H331 PolarHBondContact O-CD2 3.43Å; L328-H331 PolarHBondContact O-N 3.31Å; L329-H331 PolarHBondContact O-N 3.04Å
332	I	93.9	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-114.6	143.4	-178.5	-150.8	156.5	0	0	0	112.7	Y102 F105 T107 N111 L329 L334 L341 I344 V345	Y102-I332 HydrophobicContact CD2-CD1 4.06Å; Y102-I332 HydrophobicContact CE2-CD1 4.05Å; F105-I332 HydrophobicContact CB-CD1 4.04Å; F105-I332 HydrophobicContact CB-CG1 3.62Å; F105-I332 CarbonylContact O-C 3.56Å; T107-I332 VanDerWaalsContact CG2-C 3.41Å; N111-I332 PolarHBondContact ND2-O 3.45Å; L329-I332 HydrophobicContact CD2-CG2 4.35Å; L329-I332 WeakPolarHBondContact O-CG2 3.15Å; L329-I332 PolarHBondContact O-N 2.89Å; I332-L334 PolarHBondContact O-N 3.5Å; I332-L341 HydrophobicContact CD1-CD2 3.64Å; I332-L341 HydrophobicContact CG1-CD2 4.18Å; I332-L341 HydrophobicContact CG2-CD1 4.23Å; I332-I344 HydrophobicContact CD1-CG2 4.47Å; I332-V345 HydrophobicContact CD1-CG2 4.03Å
333	K	94	Very high	95.3	Very high	105 Å²	105	28.4 Å²	28.4	46%	0.457	13%	0.128	S	C	.	.			trans	-63.3	129.5	170	-70	171.4	-168.6	162.4	0	108.1	Y104 F105 K106 T107 F335	Y104-K333 PolarHBondContact O-NZ 2.94Å; F105-K333 HydrophobicContact CD1-CB 4.24Å; F105-K333 WeakPolarHBondContact O-CB 3.5Å; F105-K333 VanDerWaalsContact O-CG 3.28Å; F105-K333 WeakPolarHBondContact O-CG 3.42Å; F105-K333 PolarHBondContact O-N 2.89Å; K106-K333 WeakPolarHBondContact O-CE 3.41Å; T107-K333 HydrophobicContact CG2-CG 4.44Å; K333-F335 PolarHBondContact O-N 3.27Å
334	L	90.9	Very high	95.2	Very high	52 Å²	52	23.4 Å²	23.4	27%	0.272	11%	0.108	S	C	.	.			trans	-61.8	122.8	-177.4	-61.4	177.4	0	0	0	111.1	T226 R227 I230 I332	T226-L334 HydrophobicContact CG2-CD2 3.87Å; R227-L334 HydrophobicContact CG-CD1 4.12Å; R227-L334 HydrophobicContact CG-CD2 4.39Å; I230-L334 HydrophobicContact CD1-CD2 3.9Å; I332-L334 PolarHBondContact O-N 3.5Å
335	F	89	Confident	95.2	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.089	C	C	.	.			trans	-120.4	148.2	-178.1	178.8	-90	0	0	0	108.7	F105 T226 I296 Y301 Y306 K333 F337 V340 L341	F105-F335 AromaticContact CE1-CD2 3.63Å; F105-F335 HydrophobicContact CE1-CD2 3.63Å; F105-F335 HydrophobicContact CE1-CE2 4.3Å; F105-F335 HydrophobicContact CE1-CG 4.47Å; F105-F335 AromaticContact CZ-CD2 3.72Å; F105-F335 HydrophobicContact CZ-CD2 3.72Å; F105-F335 AromaticContact CZ-CE2 3.93Å; F105-F335 HydrophobicContact CZ-CE2 3.93Å; T226-F335 VanDerWaalsContact CB-O 3.26Å; T226-F335 WeakPolarHBondContact CB-O 3.03Å; T226-F335 PolarHBondContact OG1-O 3.06Å; I296-F335 HydrophobicContact CD1-CD2 3.91Å; I296-F335 HydrophobicContact CD1-CE1 4.47Å; I296-F335 HydrophobicContact CD1-CE2 3.08Å; I296-F335 HydrophobicContact CD1-CZ 3.42Å; I296-F335 VanDerWaalsContact CD1-CZ 3.42Å; Y301-F335 AromaticContact CD2-CE2 3.82Å; Y301-F335 HydrophobicContact CD2-CE2 3.82Å; Y301-F335 HydrophobicContact CD2-CZ 4.25Å; Y301-F335 HydrophobicContact CG-CE2 4.37Å; Y306-F335 HydrophobicContact CE1-CZ 4.01Å; K333-F335 PolarHBondContact O-N 3.27Å; F335-F337 HydrophobicContact CD1-CB 4.24Å; F335-F337 HydrophobicContact CD1-CD2 4.4Å; F335-F337 WeakPolarHBondContact CD1-O 3.46Å; F335-F337 HydrophobicContact CE1-CB 3.73Å; F335-F337 AromaticContact CE1-CD2 3.37Å; F335-F337 HydrophobicContact CE1-CD2 3.37Å; F335-F337 HydrophobicContact CE1-CE2 4.25Å; F335-F337 AromaticContact CE1-CG 3.83Å; F335-F337 HydrophobicContact CE1-CG 3.83Å; F335-F337 AromaticContact CZ-CD2 3.64Å; F335-F337 HydrophobicContact CZ-CD2 3.64Å; F335-F337 HydrophobicContact CZ-CE2 4.14Å; F335-V340 HydrophobicContact CE1-CB 3.78Å; F335-V340 HydrophobicContact CE1-CG1 3.73Å; F335-V340 HydrophobicContact CE1-CG2 4.49Å; F335-V340 HydrophobicContact CZ-CB 4.44Å; F335-V340 HydrophobicContact CZ-CG1 3.95Å; F335-L341 HydrophobicContact CB-CD1 3.76Å; F335-L341 HydrophobicContact CB-CD2 3.64Å; F335-L341 HydrophobicContact CB-CG 3.65Å; F335-L341 HydrophobicContact CD1-CD2 4.26Å; F335-L341 HydrophobicContact CD1-CG 3.86Å; F335-L341 HydrophobicContact CG-CD2 4.1Å; F335-L341 HydrophobicContact CG-CG 4.09Å
336	P	90.2	Very high	95.2	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.019	9%	0.089	C	C	.	.	S	Bend	trans	-67.2	-38.8	-170.7	-27.7	40.2	0	0	0	115.3	Y223 K300	Y223-P336 HydrophobicContact CD1-CB 3.69Å; Y223-P336 HydrophobicContact CD1-CG 3.84Å; Y223-P336 HydrophobicContact CE1-CB 4.4Å; K300-P336 HydrophobicContact CD-CG 4.27Å; K300-P336 VanDerWaalsContact NZ-CG 3.28Å
337	F	95.4	Very high	95.2	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.026	10%	0.098	C	C	.	.			trans	-97.3	106.6	-171.5	-33.7	-54.1	0	0	0	109.2	Y222 W294 I296 Y306 F335 D339 V340 L341	Y222-F337 AromaticContact CE1-CD1 3.99Å; Y222-F337 HydrophobicContact CE1-CD1 3.99Å; Y222-F337 AromaticContact CE1-CE1 3.89Å; Y222-F337 HydrophobicContact CE1-CE1 3.89Å; W294-F337 HydrophobicContact CB-CZ 4.41Å; W294-F337 VanDerWaalsContact O-CZ 3.3Å; W294-F337 WeakPolarHBondContact O-CZ 3.33Å; I296-F337 HydrophobicContact CB-CE2 4.08Å; I296-F337 HydrophobicContact CB-CZ 4.33Å; I296-F337 HydrophobicContact CD1-CE2 4.07Å; I296-F337 HydrophobicContact CG2-CE2 4.25Å; Y306-F337 WeakPolarHBondContact OH-CE2 3.38Å; F335-F337 HydrophobicContact CD1-CB 4.24Å; F335-F337 HydrophobicContact CD1-CD2 4.4Å; F335-F337 WeakPolarHBondContact CD1-O 3.46Å; F335-F337 HydrophobicContact CE1-CB 3.73Å; F335-F337 AromaticContact CE1-CD2 3.37Å; F335-F337 HydrophobicContact CE1-CD2 3.37Å; F335-F337 HydrophobicContact CE1-CE2 4.25Å; F335-F337 AromaticContact CE1-CG 3.83Å; F335-F337 HydrophobicContact CE1-CG 3.83Å; F335-F337 AromaticContact CZ-CD2 3.64Å; F335-F337 HydrophobicContact CZ-CD2 3.64Å; F335-F337 HydrophobicContact CZ-CE2 4.14Å; F337-D339 VanDerWaalsContact C-N 3.3Å; F337-D339 VanDerWaalsContact CB-OD1 3.27Å; F337-D339 WeakPolarHBondContact CB-OD1 3.39Å; F337-D339 PolarHBondContact O-N 2.95Å; F337-V340 HydrophobicContact CB-CB 4.12Å; F337-V340 HydrophobicContact CB-CG2 3.96Å; F337-V340 HydrophobicContact CD2-CG2 4.29Å; F337-V340 PolarHBondContact O-N 3.33Å; F337-L341 PolarHBondContact O-N 2.86Å; F337-L341 VanDerWaalsContact O-N 3.13Å
338	D	95.7	Very high	95.1	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.032	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-40.2	-178.1	57.8	-34.1	0	0	0	111.5	K151 L225 L229 L341 I342	K151-D338 IonicContact NZ-OD2 2.69Å; K151-D338 PolarHBondContact NZ-OD2 3.29Å; L225-D338 HydrophobicContact CB-CB 4.17Å; L229-D338 HydrophobicContact CB-CB 4.13Å; L229-D338 HydrophobicContact CD2-CB 3.96Å; D338-L341 PolarHBondContact O-N 3.37Å; D338-I342 WeakPolarHBondContact O-CG1 3.42Å; D338-I342 PolarHBondContact O-N 2.91Å
339	D	97.3	Very high	95.1	Very high	18 Å²	18	21.4 Å²	21.4	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-48.8	175.5	56.1	-3.1	0	0	0	114	Y309 P310 G312 F337 L341 I342 G343	Y309-D339 WeakPolarHBondContact CB-O 3.31Å; Y309-D339 HydrophobicContact CD2-CB 4.02Å; P310-D339 WeakPolarHBondContact O-CB 3.38Å; G312-D339 PolarHBondContact N-OD2 2.93Å; G312-D339 VanDerWaalsContact N-OD2 3.11Å; F337-D339 VanDerWaalsContact C-N 3.3Å; F337-D339 VanDerWaalsContact CB-OD1 3.27Å; F337-D339 WeakPolarHBondContact CB-OD1 3.39Å; F337-D339 PolarHBondContact O-N 2.95Å; D339-L341 VanDerWaalsContact C-N 3.3Å; D339-L341 PolarHBondContact O-N 3.49Å; D339-I342 WeakPolarHBondContact O-CB 3.34Å; D339-I342 PolarHBondContact O-N 3.46Å; D339-G343 PolarHBondContact O-N 3.31Å
340	V	96.8	Very high	95.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.9	173.4	0	0	0	0	110.8	Y306 Y309 F335 F337 I342 G343 I344	Y306-V340 HydrophobicContact CD1-CG1 3.36Å; Y306-V340 HydrophobicContact CD1-CG2 4.35Å; Y306-V340 HydrophobicContact CD2-CG2 4.11Å; Y306-V340 HydrophobicContact CE1-CG1 3.67Å; Y306-V340 HydrophobicContact CE1-CG2 4.41Å; Y306-V340 HydrophobicContact CE2-CG2 4.14Å; Y306-V340 HydrophobicContact CG-CG1 3.84Å; Y306-V340 HydrophobicContact CG-CG2 4.21Å; Y309-V340 HydrophobicContact CD1-CG2 4.13Å; Y309-V340 HydrophobicContact CD2-CG2 4.11Å; Y309-V340 HydrophobicContact CE1-CG2 4.02Å; Y309-V340 HydrophobicContact CE2-CG2 3.98Å; Y309-V340 HydrophobicContact CG-CG2 4.18Å; F335-V340 HydrophobicContact CE1-CB 3.78Å; F335-V340 HydrophobicContact CE1-CG1 3.73Å; F335-V340 HydrophobicContact CE1-CG2 4.49Å; F335-V340 HydrophobicContact CZ-CB 4.44Å; F335-V340 HydrophobicContact CZ-CG1 3.95Å; F337-V340 HydrophobicContact CB-CB 4.12Å; F337-V340 HydrophobicContact CB-CG2 3.96Å; F337-V340 HydrophobicContact CD2-CG2 4.29Å; F337-V340 PolarHBondContact O-N 3.33Å; V340-I342 VanDerWaalsContact C-N 3.34Å; V340-G343 WeakPolarHBondContact O-CA 3.49Å; V340-G343 PolarHBondContact O-N 3.47Å; V340-G343 VanDerWaalsContact O-N 3.15Å; V340-I344 HydrophobicContact CG1-CD1 4.01Å; V340-I344 HydrophobicContact CG1-CG1 4.46Å; V340-I344 WeakPolarHBondContact O-CG1 3.42Å; V340-I344 PolarHBondContact O-N 3.02Å
341	L	95.5	Very high	95.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-40.6	174.9	-85.6	-173	0	0	0	112.6	T226 L329 I332 F335 F337 D338 D339 G343 I344 V345	T226-L341 HydrophobicContact CG2-CD1 3.23Å; T226-L341 WeakPolarHBondContact OG1-CD1 3.38Å; L329-L341 HydrophobicContact CD2-CB 4.23Å; I332-L341 HydrophobicContact CD1-CD2 3.64Å; I332-L341 HydrophobicContact CG1-CD2 4.18Å; I332-L341 HydrophobicContact CG2-CD1 4.23Å; F335-L341 HydrophobicContact CB-CD1 3.76Å; F335-L341 HydrophobicContact CB-CD2 3.64Å; F335-L341 HydrophobicContact CB-CG 3.65Å; F335-L341 HydrophobicContact CD1-CD2 4.26Å; F335-L341 HydrophobicContact CD1-CG 3.86Å; F335-L341 HydrophobicContact CG-CD2 4.1Å; F335-L341 HydrophobicContact CG-CG 4.09Å; F337-L341 PolarHBondContact O-N 2.86Å; F337-L341 VanDerWaalsContact O-N 3.13Å; D338-L341 PolarHBondContact O-N 3.37Å; D339-L341 VanDerWaalsContact C-N 3.3Å; D339-L341 PolarHBondContact O-N 3.49Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.12Å; L341-I344 HydrophobicContact CD2-CD1 4.13Å; L341-I344 PolarHBondContact O-N 3.22Å; L341-V345 WeakPolarHBondContact O-CG2 3.27Å; L341-V345 PolarHBondContact O-N 2.94Å
342	I	97.7	Very high	95.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.2	-48.1	171.4	-69.2	167.6	0	0	0	109.2	L229 I276 P310 I315 L325 D338 D339 V340 I344 V345 L346	L229-I342 HydrophobicContact CD1-CD1 4.04Å; L229-I342 HydrophobicContact CD2-CD1 3.82Å; L229-I342 HydrophobicContact CD2-CG1 3.67Å; I276-I342 HydrophobicContact CD1-CG2 4.14Å; P310-I342 HydrophobicContact CG-CG2 4.04Å; I315-I342 HydrophobicContact CD1-CD1 3.49Å; I315-I342 VanDerWaalsContact CD1-CD1 3.49Å; L325-I342 HydrophobicContact CD1-CG1 4.31Å; L325-I342 HydrophobicContact CD1-CG2 4.44Å; L325-I342 HydrophobicContact CD2-CG1 4.14Å; L325-I342 HydrophobicContact CD2-CG2 4.41Å; D338-I342 WeakPolarHBondContact O-CG1 3.42Å; D338-I342 PolarHBondContact O-N 2.91Å; D339-I342 WeakPolarHBondContact O-CB 3.34Å; D339-I342 PolarHBondContact O-N 3.46Å; V340-I342 VanDerWaalsContact C-N 3.34Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.37Å; I342-V345 PolarHBondContact O-N 2.9Å; I342-L346 HydrophobicContact CG2-CD1 3.6Å; I342-L346 HydrophobicContact CG2-CG 4.11Å; I342-L346 WeakPolarHBondContact O-CB 3.3Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 2.8Å
343	G	97.2	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-42.2	175.7	0	0	0	0	0	114.1	N308 D339 V340 L341 V345 L346 D347	N308-G343 WeakPolarHBondContact O-CA 3.46Å; D339-G343 PolarHBondContact O-N 3.31Å; V340-G343 WeakPolarHBondContact O-CA 3.49Å; V340-G343 PolarHBondContact O-N 3.47Å; V340-G343 VanDerWaalsContact O-N 3.15Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.12Å; G343-V345 PolarHBondContact O-N 3.11Å; G343-L346 PolarHBondContact O-N 3.39Å; G343-D347 WeakPolarHBondContact O-CB 3.48Å; G343-D347 PolarHBondContact O-N 3.43Å
344	I	96.3	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177	-71.2	166.6	0	0	0	111.5	F105 Y301 P307 I332 V340 L341 I342 K348	F105-I344 HydrophobicContact CD2-CD1 3.87Å; F105-I344 HydrophobicContact CE2-CD1 3.9Å; Y301-I344 HydrophobicContact CE2-CD1 4.25Å; P307-I344 HydrophobicContact CG-CB 4.4Å; P307-I344 HydrophobicContact CG-CG1 3.71Å; I332-I344 HydrophobicContact CD1-CG2 4.47Å; V340-I344 HydrophobicContact CG1-CD1 4.01Å; V340-I344 HydrophobicContact CG1-CG1 4.46Å; V340-I344 WeakPolarHBondContact O-CG1 3.42Å; V340-I344 PolarHBondContact O-N 3.02Å; L341-I344 HydrophobicContact CD2-CD1 4.13Å; L341-I344 PolarHBondContact O-N 3.22Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.37Å; I344-K348 PolarHBondContact O-N 2.94Å
345	V	96.8	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.4	-42.2	178.8	173.5	0	0	0	0	111.2	Y102 L325 L328 L329 I332 L341 I342 G343 D347 K348 L349	Y102-V345 HydrophobicContact CD2-CG2 4.2Å; Y102-V345 HydrophobicContact CE2-CG2 4.27Å; L325-V345 HydrophobicContact CD1-CB 3.73Å; L325-V345 HydrophobicContact CD1-CG1 3.58Å; L325-V345 HydrophobicContact CD1-CG2 4.32Å; L328-V345 HydrophobicContact CB-CG1 3.6Å; L328-V345 HydrophobicContact CB-CG2 4.19Å; L328-V345 HydrophobicContact CD1-CG1 3.7Å; L328-V345 HydrophobicContact CG-CG1 4.24Å; L329-V345 HydrophobicContact CD2-CG2 3.81Å; L329-V345 HydrophobicContact CG-CG2 4.16Å; I332-V345 HydrophobicContact CD1-CG2 4.03Å; L341-V345 WeakPolarHBondContact O-CG2 3.27Å; L341-V345 PolarHBondContact O-N 2.94Å; I342-V345 PolarHBondContact O-N 2.9Å; G343-V345 PolarHBondContact O-N 3.11Å; V345-D347 VanDerWaalsContact C-N 3.33Å; V345-D347 PolarHBondContact O-N 3.24Å; V345-K348 PolarHBondContact O-N 3.27Å; V345-L349 HydrophobicContact CG1-CD1 3.88Å; V345-L349 HydrophobicContact CG1-CG 4.43Å; V345-L349 WeakPolarHBondContact O-CG 3.43Å; V345-L349 PolarHBondContact O-N 3.42Å
346	L	97.3	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-36.1	177.8	-67.5	172.6	0	0	0	112.7	I276 V321 I342 G343 L349 N350 I351 I353	I276-L346 HydrophobicContact CD1-CD1 3.79Å; I276-L346 HydrophobicContact CD1-CD2 4.28Å; I276-L346 HydrophobicContact CG2-CD1 4.12Å; I276-L346 HydrophobicContact CG2-CD2 4.13Å; V321-L346 HydrophobicContact CG1-CD2 4.01Å; I342-L346 HydrophobicContact CG2-CD1 3.6Å; I342-L346 HydrophobicContact CG2-CG 4.11Å; I342-L346 WeakPolarHBondContact O-CB 3.3Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 2.8Å; G343-L346 PolarHBondContact O-N 3.39Å; L346-L349 CarbonylContact O-C 3.58Å; L346-L349 PolarHBondContact O-N 3.11Å; L346-N350 PolarHBondContact O-N 2.97Å; L346-I351 HydrophobicContact CD2-CB 3.93Å; L346-I351 HydrophobicContact CD2-CD1 4.44Å; L346-I351 HydrophobicContact CD2-CG2 3.89Å; L346-I351 PolarHBondContact O-N 3.26Å; L346-I353 HydrophobicContact CD1-CD1 3.91Å; L346-I353 HydrophobicContact CD1-CG1 3.5Å
347	D	96.2	Very high	96.4	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.5	-166.9	54.2	0	0	0	111	S98 Y101 P307 G343 V345 L349 N350	S98-D347 VanDerWaalsContact CA-OD2 3.25Å; S98-D347 WeakPolarHBondContact CA-OD2 3.29Å; S98-D347 CarbonylContact O-C 3.53Å; Y101-D347 VanDerWaalsContact CD2-OD2 3.23Å; Y101-D347 WeakPolarHBondContact CD2-OD2 3.36Å; P307-D347 HydrophobicContact CB-CB 3.85Å; P307-D347 HydrophobicContact CG-CB 4.45Å; G343-D347 WeakPolarHBondContact O-CB 3.48Å; G343-D347 PolarHBondContact O-N 3.43Å; V345-D347 VanDerWaalsContact C-N 3.33Å; V345-D347 PolarHBondContact O-N 3.24Å; D347-L349 VanDerWaalsContact C-N 3.33Å; D347-L349 PolarHBondContact O-N 3.28Å; D347-N350 PolarHBondContact O-N 3.5Å; D347-N350 VanDerWaalsContact O-N 3.1Å
348	K	96.1	Very high	96.3	Very high	50 Å²	50	39 Å²	39	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-39.6	173.4	177.6	64.3	178.3	-171.5	0	112.5	S98 E99 Y102 E103 L328 I344 V345 N350	S98-K348 PolarHBondContact O-N 3.46Å; E99-K348 HydrophobicContact CB-CD 4Å; E99-K348 HydrophobicContact CG-CD 3.88Å; E99-K348 IonicContact OE1-NZ 2.85Å; E99-K348 PolarHBondContact OE1-NZ 2.95Å; E99-K348 IonicContact OE2-NZ 2.69Å; E99-K348 PolarHBondContact OE2-NZ 3.1Å; E99-K348 VanDerWaalsContact OE2-NZ 3.16Å; Y102-K348 HydrophobicContact CD1-CD 4.13Å; Y102-K348 HydrophobicContact CD1-CG 3.89Å; Y102-K348 HydrophobicContact CG-CB 3.99Å; Y102-K348 HydrophobicContact CG-CD 4.39Å; Y102-K348 HydrophobicContact CG-CG 3.86Å; E103-K348 IonicContact OE1-NZ 2.63Å; E103-K348 PolarHBondContact OE1-NZ 3.22Å; L328-K348 HydrophobicContact CD1-CG 4.3Å; I344-K348 PolarHBondContact O-N 2.94Å; V345-K348 PolarHBondContact O-N 3.27Å; K348-N350 PolarHBondContact O-N 3.3Å
349	L	95.8	Very high	96.2	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.277	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.7	177.4	-67.3	170.7	0	0	0	113.5	H324 L328 V345 L346 D347 I351	H324-L349 HydrophobicContact CB-CD1 3.72Å; H324-L349 HydrophobicContact CB-CD2 4.25Å; L328-L349 HydrophobicContact CD1-CD1 4.05Å; L328-L349 HydrophobicContact CD1-CD2 3.55Å; L328-L349 HydrophobicContact CD1-CG 3.61Å; V345-L349 HydrophobicContact CG1-CD1 3.88Å; V345-L349 HydrophobicContact CG1-CG 4.43Å; V345-L349 WeakPolarHBondContact O-CG 3.43Å; V345-L349 PolarHBondContact O-N 3.42Å; L346-L349 CarbonylContact O-C 3.58Å; L346-L349 PolarHBondContact O-N 3.11Å; D347-L349 VanDerWaalsContact C-N 3.33Å; D347-L349 PolarHBondContact O-N 3.28Å; L349-I351 HydrophobicContact CB-CB 4.45Å; L349-I351 HydrophobicContact CB-CD1 3.8Å; L349-I351 HydrophobicContact CB-CG1 3.87Å; L349-I351 HydrophobicContact CD1-CD1 4Å; L349-I351 HydrophobicContact CG-CD1 4.5Å; L349-I351 PolarHBondContact O-N 3.38Å
350	N	96.1	Very high	96	Very high	112 Å²	112	38.9 Å²	38.9	60%	0.599	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.5	-171.9	-168.3	39.4	0	0	0	112.9	L346 D347 K348	L346-N350 PolarHBondContact O-N 2.97Å; D347-N350 PolarHBondContact O-N 3.5Å; D347-N350 VanDerWaalsContact O-N 3.1Å; K348-N350 PolarHBondContact O-N 3.3Å
351	I	97.2	Very high	95.5	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.108	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-97.3	124.1	177.2	-65.7	173.1	0	0	0	109	I276 V321 L346 L349	I276-I351 HydrophobicContact CG2-CG2 3.78Å; V321-I351 HydrophobicContact CG2-CD1 4.33Å; L346-I351 HydrophobicContact CD2-CB 3.93Å; L346-I351 HydrophobicContact CD2-CD1 4.44Å; L346-I351 HydrophobicContact CD2-CG2 3.89Å; L346-I351 PolarHBondContact O-N 3.26Å; L349-I351 HydrophobicContact CB-CB 4.45Å; L349-I351 HydrophobicContact CB-CD1 3.8Å; L349-I351 HydrophobicContact CB-CG1 3.87Å; L349-I351 HydrophobicContact CD1-CD1 4Å; L349-I351 HydrophobicContact CG-CD1 4.5Å; L349-I351 PolarHBondContact O-N 3.38Å
352	K	97.1	Very high	94.9	Very high	173 Å²	173	41.5 Å²	41.5	75%	0.752	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-87.2	132.1	179.1	-175.4	-178.9	176.4	-174.5	0	111.1
353	I	98.2	Very high	93.6	Very high	15 Å²	15	44 Å²	44	8%	0.077	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.9	131.6	173.3	-48.9	145.4	0	0	0	110.1	I276 V280 N308 P310 L346	I276-I353 HydrophobicContact CG2-CG1 4.31Å; V280-I353 HydrophobicContact CG2-CB 3.75Å; V280-I353 HydrophobicContact CG2-CG2 3.44Å; V280-I353 VanDerWaalsContact CG2-CG2 3.44Å; N308-I353 HydrophobicContact CB-CD1 4.45Å; N308-I353 WeakPolarHBondContact O-CD1 3.43Å; P310-I353 HydrophobicContact CB-CG2 4.16Å; P310-I353 HydrophobicContact CG-CD1 4.49Å; L346-I353 HydrophobicContact CD1-CD1 3.91Å; L346-I353 HydrophobicContact CD1-CG1 3.5Å
354	H	97.9	Very high	92.6	Very high	70 Å²	70	51.2 Å²	51.2	32%	0.324	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.3	171.5	-67.2	-94	0	0	0	110.2	I276 S277 G278	I276-H354 PolarHBondContact O-CD2 3.38Å; I276-H354 PolarHBondContact O-N 2.97Å; S277-H354 WeakPolarHBondContact CA-O 3Å; S277-H354 WeakPolarHBondContact CB-O 3.37Å; G278-H354 PolarHBondContact N-O 3.35Å
355	H	97.5	Very high	91.4	Very high	68 Å²	68	51.2 Å²	51.2	32%	0.315	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138.3	175.7	-172.3	89.3	0	0	0	110.6	G278 Y279 V280 D357	G278-H355 CarbonylContact O-C 3.51Å; G278-H355 WeakPolarHBondContact O-CA 3.36Å; Y279-H355 AromaticContact CD2-CE1 3.61Å; Y279-H355 AromaticContact CD2-NE2 3.93Å; Y279-H355 AromaticContact CE2-CE1 3.64Å; Y279-H355 AromaticContact CE2-NE2 3.88Å; Y279-H355 AromaticContact CG-CE1 3.95Å; V280-H355 HydrophobicContact CB-CB 4.2Å; V280-H355 HydrophobicContact CG2-CB 3.98Å; V280-H355 PolarHBondContact N-ND1 3.47Å; H355-D357 IonicContact CD2-OD1 3.15Å; H355-D357 PolarHBondContact CD2-OD1 3.07Å; H355-D357 IonicContact NE2-OD1 2.82Å; H355-D357 PolarHBondContact NE2-OD1 3.05Å; H355-D357 VanDerWaalsContact NE2-OD1 3.15Å
356	I	95.8	Very high	90	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.087	27%	0.271	C	S	.	.			trans	-122.8	106.7	173.7	-60.2	172.7	0	0	0	108.3	L263 S277 G278 I316 N358 I359 I373	L263-I356 HydrophobicContact CD1-CD1 3.55Å; L263-I356 HydrophobicContact CD1-CG1 4.38Å; S277-I356 WeakPolarHBondContact OG-CD1 3.26Å; G278-I356 PolarHBondContact O-N 2.86Å; I316-I356 HydrophobicContact CD1-CD1 4.43Å; I356-N358 HydrophobicContact CG2-CB 4.13Å; I356-N358 PolarHBondContact O-N 3.22Å; I356-I359 HydrophobicContact CB-CD1 3.85Å; I356-I359 HydrophobicContact CB-CG1 4.1Å; I356-I359 HydrophobicContact CD1-CD1 4.08Å; I356-I359 HydrophobicContact CG1-CD1 4.5Å; I356-I359 HydrophobicContact CG2-CD1 4.1Å; I356-I359 HydrophobicContact CG2-CG1 3.83Å; I356-I359 PolarHBondContact O-N 3.34Å; I356-I373 HydrophobicContact CG2-CD1 3.76Å; I356-I373 HydrophobicContact CG2-CG1 4.39Å
357	D	91.6	Very high	88.7	Confident	118 Å²	118	62.8 Å²	62.8	63%	0.631	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.1	177.3	-56.4	-64.4	0	0	0	112	H355 I359	H355-D357 IonicContact CD2-OD1 3.15Å; H355-D357 PolarHBondContact CD2-OD1 3.07Å; H355-D357 IonicContact NE2-OD1 2.82Å; H355-D357 PolarHBondContact NE2-OD1 3.05Å; H355-D357 VanDerWaalsContact NE2-OD1 3.15Å; D357-I359 PolarHBondContact O-N 2.71Å
358	N	93	Very high	87.5	Confident	59 Å²	59	66.6 Å²	66.6	32%	0.316	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	11.1	-175.5	-66.2	14.9	0	0	0	113.5	I356 Q371 F372 I373	I356-N358 HydrophobicContact CG2-CB 4.13Å; I356-N358 PolarHBondContact O-N 3.22Å; N358-Q371 WeakPolarHBondContact CB-O 3.46Å; N358-Q371 PolarHBondContact ND2-O 3.14Å; N358-F372 CarbonylContact O-C 3.6Å; N358-F372 VanDerWaalsContact O-CA 3.31Å; N358-F372 WeakPolarHBondContact O-CA 3.1Å; N358-I373 HydrophobicContact CB-CG1 4.06Å; N358-I373 PolarHBondContact O-N 3Å
359	I	93.7	Very high	86.2	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.7	164.7	-69.2	170.2	0	0	0	106.8	F253 T314 I356 D357 L361	F253-I359 HydrophobicContact CE1-CG2 4.48Å; T314-I359 HydrophobicContact CG2-CD1 3.79Å; T314-I359 HydrophobicContact CG2-CG1 4.24Å; I356-I359 HydrophobicContact CB-CD1 3.85Å; I356-I359 HydrophobicContact CB-CG1 4.1Å; I356-I359 HydrophobicContact CD1-CD1 4.08Å; I356-I359 HydrophobicContact CG1-CD1 4.5Å; I356-I359 HydrophobicContact CG2-CD1 4.1Å; I356-I359 HydrophobicContact CG2-CG1 3.83Å; I356-I359 PolarHBondContact O-N 3.34Å; D357-I359 PolarHBondContact O-N 2.71Å; I359-L361 HydrophobicContact CG2-CD2 4.41Å
360	L	91.7	Very high	85.1	Confident	18 Å²	18	75.9 Å²	75.9	9%	0.094	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122	-174.3	-54.3	-179.4	0	0	0	110.6	T362 I365 Y368 F372 T374 A375 H376	L360-T362 PolarHBondContact O-N 2.89Å; L360-I365 HydrophobicContact CD1-CG1 4.18Å; L360-Y368 HydrophobicContact CD1-CD2 4.1Å; L360-Y368 HydrophobicContact CD1-CG 4.12Å; L360-Y368 HydrophobicContact CD2-CD2 4.31Å; L360-Y368 HydrophobicContact CD2-CG 4.25Å; L360-F372 HydrophobicContact CD1-CB 3.56Å; L360-F372 HydrophobicContact CD1-CG 4.26Å; L360-F372 HydrophobicContact CG-CB 3.81Å; L360-T374 PolarHBondContact N-O 3.34Å; L360-A375 HydrophobicContact CB-CB 3.83Å; L360-A375 HydrophobicContact CD1-CB 4.2Å; L360-A375 HydrophobicContact CG-CB 4.38Å; L360-A375 VanDerWaalsContact O-CA 3.31Å; L360-A375 WeakPolarHBondContact O-CA 3.49Å; L360-H376 PolarHBondContact O-N 3.44Å
361	L	87.9	Confident	84.6	Confident	21 Å²	21	76.2 Å²	76.2	11%	0.11	35%	0.354	C	S	.	.	S	Bend	trans	-78.9	4.6	176.2	-51.4	-172.9	0	0	0	113	Y279 L311 I359	Y279-L361 HydrophobicContact CD1-CD1 4.05Å; Y279-L361 HydrophobicContact CE1-CD1 3.85Å; Y279-L361 HydrophobicContact CE2-CD1 4.46Å; Y279-L361 HydrophobicContact CG-CD1 4.43Å; Y279-L361 HydrophobicContact CG-CD2 4.31Å; L311-L361 HydrophobicContact CD2-CD1 3.87Å; L311-L361 HydrophobicContact CD2-CD2 3.38Å; L311-L361 HydrophobicContact CD2-CG 4.25Å; I359-L361 HydrophobicContact CG2-CD2 4.41Å
362	T	82.4	Confident	84.4	Confident	35 Å²	35	75.2 Å²	75.2	22%	0.215	35%	0.349	C	S	.	.	S	Bend	trans	-135.9	158.3	-175.4	-174.1	0	0	0	0	111.5	L360 Y364 H376	L360-T362 PolarHBondContact O-N 2.89Å; T362-Y364 VanDerWaalsContact C-N 3.31Å; T362-Y364 HydrophobicContact CG2-CD2 4.39Å; T362-Y364 WeakPolarHBondContact OG1-CD2 3.47Å; T362-H376 CarbonylContact C-O 3.57Å
363	N	70.1	Confident	84.3	Confident	54 Å²	54	67.6 Å²	67.6	29%	0.289	32%	0.316	S	S	.	.	S	Bend	trans	-84.2	-0.8	177.7	69.6	-18.8	0	0	0	113.6	I365 H376	N363-I365 PolarHBondContact O-N 3.19Å; N363-H376 WeakPolarHBondContact CA-O 3.26Å; N363-H376 VanDerWaalsContact CB-O 3.27Å; N363-H376 WeakPolarHBondContact CB-O 3.36Å; N363-H376 PolarHBondContact N-O 3.38Å
364	Y	75.8	Confident	84.1	Confident	150 Å²	150	67 Å²	67	59%	0.588	31%	0.313	S	S	*	.			trans	-72.6	57.9	173.9	-66.4	-70.2	0	0	0	112.7	T362 M366	T362-Y364 VanDerWaalsContact C-N 3.31Å; T362-Y364 HydrophobicContact CG2-CD2 4.39Å; T362-Y364 WeakPolarHBondContact OG1-CD2 3.47Å; Y364-M366 VanDerWaalsContact C-N 3.25Å; Y364-M366 PolarHBondContact O-N 2.95Å
365	I	71.3	Confident	83.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-76.1	-15.8	-174.1	-60.5	159.1	0	0	0	111.7	I254 L360 N363 N367 Y368 R369 F372 A375 L387 L391	I254-I365 HydrophobicContact CG2-CD1 4.02Å; L360-I365 HydrophobicContact CD1-CG1 4.18Å; N363-I365 PolarHBondContact O-N 3.19Å; I365-N367 PolarHBondContact O-N 3.41Å; I365-N367 VanDerWaalsContact O-N 3.13Å; I365-Y368 CarbonylContact O-C 3.55Å; I365-Y368 PolarHBondContact O-N 3.5Å; I365-R369 WeakPolarHBondContact O-CG 3.3Å; I365-R369 PolarHBondContact O-N 3.2Å; I365-F372 HydrophobicContact CG2-CD1 3.51Å; I365-F372 HydrophobicContact CG2-CE1 3.38Å; I365-F372 HydrophobicContact CG2-CG 4.24Å; I365-F372 HydrophobicContact CG2-CZ 4.02Å; I365-A375 HydrophobicContact CD1-CB 3.38Å; I365-A375 HydrophobicContact CG1-CB 3.49Å; I365-A375 VanDerWaalsContact CG1-CB 3.49Å; I365-L387 HydrophobicContact CD1-CD1 4Å; I365-L387 HydrophobicContact CD1-CD2 3.44Å; I365-L387 VanDerWaalsContact CD1-CD2 3.44Å; I365-L387 HydrophobicContact CD1-CG 4.3Å; I365-L391 HydrophobicContact CG2-CD2 4.41Å
366	M	67.9	Low	83.7	Confident	96 Å²	96	62 Å²	62	47%	0.473	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61	-29.4	-170.6	-63.7	-61.7	-114	0	0	114	Y364 R369	Y364-M366 VanDerWaalsContact C-N 3.25Å; Y364-M366 PolarHBondContact O-N 2.95Å; M366-R369 WeakPolarHBondContact O-CG 3.32Å; M366-R369 PolarHBondContact O-NH1 3.19Å; M366-R369 VanDerWaalsContact O-NH1 3.13Å; M366-R369 PolarHBondContact SD-NE 3.11Å; M366-R369 PolarHBondContact SD-NH2 3.02Å
367	N	69.7	Low	83.3	Confident	147 Å²	147	61.2 Å²	61.2	79%	0.786	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-82.2	-20.5	175.7	-66.8	-8.2	0	0	0	112.6	I365	I365-N367 PolarHBondContact O-N 3.41Å; I365-N367 VanDerWaalsContact O-N 3.13Å
368	Y	70.4	Confident	83	Confident	116 Å²	116	60.8 Å²	60.8	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	11.7	-172.1	-60.1	-76.7	0	0	0	113.3	L360 I365 K370 Q371 F372	L360-Y368 HydrophobicContact CD1-CD2 4.1Å; L360-Y368 HydrophobicContact CD1-CG 4.12Å; L360-Y368 HydrophobicContact CD2-CD2 4.31Å; L360-Y368 HydrophobicContact CD2-CG 4.25Å; I365-Y368 CarbonylContact O-C 3.55Å; I365-Y368 PolarHBondContact O-N 3.5Å; Y368-K370 PolarHBondContact O-N 3.19Å; Y368-Q371 PolarHBondContact O-N 3.35Å; Y368-F372 PolarHBondContact O-N 3.43Å
369	R	68.5	Low	82.6	Confident	111 Å²	111	59.6 Å²	59.6	42%	0.419	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-38.8	-168.6	-70.2	-176	177.4	115.3	-23.7	114.6	I365 M366 F372 L391	I365-R369 WeakPolarHBondContact O-CG 3.3Å; I365-R369 PolarHBondContact O-N 3.2Å; M366-R369 WeakPolarHBondContact O-CG 3.32Å; M366-R369 PolarHBondContact O-NH1 3.19Å; M366-R369 VanDerWaalsContact O-NH1 3.13Å; M366-R369 PolarHBondContact SD-NE 3.11Å; M366-R369 PolarHBondContact SD-NH2 3.02Å; R369-F372 WeakPolarHBondContact O-CD1 3.29Å; R369-F372 WeakPolarHBondContact O-CE1 3.48Å; R369-L391 HydrophobicContact CB-CD2 3.85Å; R369-L391 HydrophobicContact CG-CD2 3.62Å
370	K	72.7	Confident	82.3	Confident	187 Å²	187	62.9 Å²	62.9	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.7	-175.8	-67	-172.7	177.5	-178.1	0	114.3	N259 Y368	N259-K370 PolarHBondContact ND2-O 3.06Å; Y368-K370 PolarHBondContact O-N 3.19Å
371	Q	86.5	Confident	82.3	Confident	118 Å²	118	63.3 Å²	63.3	55%	0.551	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-31.4	-168.2	-63.6	-177.8	16.5	0	0	112.9	N259 N358 Y368	N259-Q371 VanDerWaalsContact ND2-C 3.31Å; N259-Q371 PolarHBondContact ND2-O 3.38Å; N358-Q371 WeakPolarHBondContact CB-O 3.46Å; N358-Q371 PolarHBondContact ND2-O 3.14Å; Y368-Q371 PolarHBondContact O-N 3.35Å
372	F	92.8	Very high	82.5	Confident	1 Å²	1	69.6 Å²	69.6	0%	0.004	32%	0.317	C	S	.	.			trans	-60.2	144.3	-176.6	84.3	-87.6	0	0	0	112.2	I254 N256 N259 N358 L360 I365 Y368 R369 A375 L391 F393	I254-F372 HydrophobicContact CG2-CE2 4.02Å; I254-F372 HydrophobicContact CG2-CZ 4.44Å; N256-F372 HydrophobicContact CB-CD2 4.16Å; N256-F372 HydrophobicContact CB-CE1 4.35Å; N256-F372 HydrophobicContact CB-CE2 3.79Å; N256-F372 HydrophobicContact CB-CZ 3.92Å; N256-F372 VanDerWaalsContact CB-O 3.24Å; N256-F372 WeakPolarHBondContact CB-O 3.28Å; N256-F372 PolarHBondContact ND2-O 3.19Å; N259-F372 PolarHBondContact ND2-O 3.38Å; N358-F372 CarbonylContact O-C 3.6Å; N358-F372 VanDerWaalsContact O-CA 3.31Å; N358-F372 WeakPolarHBondContact O-CA 3.1Å; L360-F372 HydrophobicContact CD1-CB 3.56Å; L360-F372 HydrophobicContact CD1-CG 4.26Å; L360-F372 HydrophobicContact CG-CB 3.81Å; I365-F372 HydrophobicContact CG2-CD1 3.51Å; I365-F372 HydrophobicContact CG2-CE1 3.38Å; I365-F372 HydrophobicContact CG2-CG 4.24Å; I365-F372 HydrophobicContact CG2-CZ 4.02Å; Y368-F372 PolarHBondContact O-N 3.43Å; R369-F372 WeakPolarHBondContact O-CD1 3.29Å; R369-F372 WeakPolarHBondContact O-CE1 3.48Å; F372-A375 HydrophobicContact CD2-CB 3.91Å; F372-A375 HydrophobicContact CE2-CB 4.18Å; F372-A375 HydrophobicContact CG-CB 4.5Å; F372-L391 HydrophobicContact CE1-CD1 3.9Å; F372-L391 HydrophobicContact CE1-CD2 4.39Å; F372-L391 HydrophobicContact CZ-CD1 3.73Å; F372-F393 HydrophobicContact CE1-CE2 4.37Å; F372-F393 HydrophobicContact CE1-CZ 4.31Å; F372-F393 AromaticContact CZ-CE2 3.87Å; F372-F393 HydrophobicContact CZ-CE2 3.87Å; F372-F393 HydrophobicContact CZ-CZ 4.17Å
373	I	94.1	Very high	82.8	Confident	13 Å²	13	70.1 Å²	70.1	7%	0.067	32%	0.318	C	S	.	.	S	Bend	trans	-94.7	-51.3	170.9	-59.2	-169.6	0	0	0	108.5	N256 N259 L260 L263 I356 N358	N256-I373 PolarHBondContact N-O 3.24Å; N259-I373 HydrophobicContact CB-CG1 4.17Å; L260-I373 HydrophobicContact CB-CG2 4.42Å; L260-I373 HydrophobicContact CD1-CG2 4.5Å; L263-I373 HydrophobicContact CB-CD1 4.17Å; L263-I373 HydrophobicContact CD1-CD1 3.39Å; L263-I373 HydrophobicContact CG-CD1 4.41Å; I356-I373 HydrophobicContact CG2-CD1 3.76Å; I356-I373 HydrophobicContact CG2-CG1 4.39Å; N358-I373 HydrophobicContact CB-CG1 4.06Å; N358-I373 PolarHBondContact O-N 3Å
374	T	95.4	Very high	83.9	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.8	170.9	66.7	0	0	0	0	111.1	I249 I254 I255 T314 L360	I249-T374 HydrophobicContact CD1-CG2 3.9Å; I254-T374 CarbonylContact O-C 3.55Å; I254-T374 WeakPolarHBondContact O-CA 3.46Å; I254-T374 WeakPolarHBondContact O-CB 3.15Å; I255-T374 HydrophobicContact CG1-CG2 4.03Å; T314-T374 WeakPolarHBondContact CB-OG1 3.32Å; T314-T374 HydrophobicContact CG2-CG2 3.57Å; T314-T374 WeakPolarHBondContact OG1-CB 3Å; T314-T374 PolarHBondContact OG1-OG1 3.28Å; L360-T374 PolarHBondContact N-O 3.34Å
375	A	93.4	Very high	84.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.7	176.8	0	0	0	0	0	112	F253 I254 L360 I365 F372	F253-A375 CarbonylContact C-O 3.58Å; F253-A375 VanDerWaalsContact CA-O 3.27Å; F253-A375 WeakPolarHBondContact CA-O 3.32Å; I254-A375 HydrophobicContact CG2-CB 3.87Å; I254-A375 VanDerWaalsContact CG2-O 3.3Å; I254-A375 WeakPolarHBondContact CG2-O 3.25Å; I254-A375 PolarHBondContact N-O 2.94Å; I254-A375 PolarHBondContact O-N 3.37Å; L360-A375 HydrophobicContact CB-CB 3.83Å; L360-A375 HydrophobicContact CD1-CB 4.2Å; L360-A375 HydrophobicContact CG-CB 4.38Å; L360-A375 VanDerWaalsContact O-CA 3.31Å; L360-A375 WeakPolarHBondContact O-CA 3.49Å; I365-A375 HydrophobicContact CD1-CB 3.38Å; I365-A375 HydrophobicContact CG1-CB 3.49Å; I365-A375 VanDerWaalsContact CG1-CB 3.49Å; F372-A375 HydrophobicContact CD2-CB 3.91Å; F372-A375 HydrophobicContact CE2-CB 4.18Å; F372-A375 HydrophobicContact CG-CB 4.5Å
376	H	92.1	Very high	85.6	Confident	34 Å²	34	66.8 Å²	66.8	16%	0.157	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.5	176.3	-176.5	-113.7	0	0	0	111.6	D252 F253 L360 T362 N363	D252-H376 VanDerWaalsContact CG-CD2 3.49Å; D252-H376 PolarHBondContact O-CD2 3.08Å; D252-H376 IonicContact OD1-CD2 3.33Å; D252-H376 IonicContact OD2-CD2 2.73Å; D252-H376 IonicContact OD2-NE2 3.63Å; D252-H376 PolarHBondContact OD2-NE2 3.4Å; F253-H376 HydrophobicContact CD1-CB 4.38Å; F253-H376 HydrophobicContact CE1-CB 3.95Å; F253-H376 HydrophobicContact CE2-CB 4.11Å; F253-H376 AromaticContact CE2-CD2 3.7Å; F253-H376 HydrophobicContact CZ-CB 3.79Å; L360-H376 PolarHBondContact O-N 3.44Å; T362-H376 CarbonylContact C-O 3.57Å; N363-H376 WeakPolarHBondContact CA-O 3.26Å; N363-H376 VanDerWaalsContact CB-O 3.27Å; N363-H376 WeakPolarHBondContact CB-O 3.36Å; N363-H376 PolarHBondContact N-O 3.38Å
377	Y	88.2	Confident	86.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.292	C	S	.	.			trans	-129.4	9.5	-177.9	75.8	-90.5	0	0	0	115.4	L159 Q251 D252 F253 I254 L383 L384	L159-Y377 WeakPolarHBondContact CD1-OH 3.32Å; Q251-Y377 PolarHBondContact O-OH 2.92Å; D252-Y377 VanDerWaalsContact C-CD1 3.41Å; D252-Y377 WeakPolarHBondContact O-CD1 3.39Å; D252-Y377 VanDerWaalsContact O-CE1 3.31Å; D252-Y377 WeakPolarHBondContact O-CE1 3.44Å; D252-Y377 PolarHBondContact O-N 3.34Å; F253-Y377 VanDerWaalsContact C-CD1 3.5Å; F253-Y377 WeakPolarHBondContact O-CE1 3.46Å; I254-Y377 HydrophobicContact CB-CD1 4.13Å; Y377-L383 VanDerWaalsContact O-CD2 3.26Å; Y377-L383 WeakPolarHBondContact O-CD2 3.19Å; Y377-L384 HydrophobicContact CD1-CD1 4.32Å; Y377-L384 HydrophobicContact CD2-CB 3.94Å; Y377-L384 HydrophobicContact CE1-CD1 4.06Å; Y377-L384 HydrophobicContact CE1-CD2 4.39Å; Y377-L384 HydrophobicContact CE2-CB 3.56Å; Y377-L384 HydrophobicContact CE2-CD1 4.45Å; Y377-L384 HydrophobicContact CE2-CD2 4.28Å; Y377-L384 HydrophobicContact CE2-CG 4.3Å
378	K	85	Confident	87.7	Confident	108 Å²	108	56.3 Å²	56.3	47%	0.47	26%	0.255	S	S	.	.			trans	72.8	25.5	173.7	-46.6	-175.4	174.2	-166.8	0	117	I380	K378-I380 VanDerWaalsContact C-N 3.27Å; K378-I380 WeakPolarHBondContact O-CG1 3.32Å; K378-I380 PolarHBondContact O-N 3.42Å; K378-I380 VanDerWaalsContact O-N 3.13Å
379	D	84.4	Confident	88.7	Confident	35 Å²	35	56.3 Å²	56.3	19%	0.187	26%	0.258	C	S	.	.	S	Bend	trans	61.6	24.7	169	-156.9	10.8	0	0	0	116.2	K156 L159 Q251 D252	K156-D379 WeakPolarHBondContact CE-OD2 3.35Å; K156-D379 IonicContact NZ-OD2 3.76Å; K156-D379 PolarHBondContact NZ-OD2 2.98Å; L159-D379 WeakPolarHBondContact CD1-OD1 3.35Å; L159-D379 WeakPolarHBondContact CD2-OD1 3.27Å; Q251-D379 PolarHBondContact NE2-OD2 3.25Å; D252-D379 HydrophobicContact CB-CB 3.76Å
380	I	88	Confident	89.7	Confident	73 Å²	73	53.8 Å²	53.8	37%	0.374	26%	0.257	S	S	.	.			trans	-105.6	115.5	-179.1	-64.4	162.1	0	0	0	110.2	K378 Y382 L383 L384	K378-I380 VanDerWaalsContact C-N 3.27Å; K378-I380 WeakPolarHBondContact O-CG1 3.32Å; K378-I380 PolarHBondContact O-N 3.42Å; K378-I380 VanDerWaalsContact O-N 3.13Å; I380-Y382 HydrophobicContact CG2-CD1 3.28Å; I380-Y382 HydrophobicContact CG2-CE1 3.56Å; I380-Y382 HydrophobicContact CG2-CG 4.26Å; I380-Y382 PolarHBondContact O-N 2.91Å; I380-L383 HydrophobicContact CB-CB 3.91Å; I380-L383 HydrophobicContact CG2-CB 3.9Å; I380-L383 WeakPolarHBondContact O-CB 3.31Å; I380-L383 PolarHBondContact O-N 3.47Å; I380-L383 VanDerWaalsContact O-N 3.12Å; I380-L384 PolarHBondContact O-N 3.29Å
381	S	92.4	Very high	90.4	Very high	27 Å²	27	45.8 Å²	45.8	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-42.6	-175.3	-54.6	0	0	0	0	114.3	T162 L383 L384 M385	T162-S381 WeakPolarHBondContact CG2-O 3.39Å; T162-S381 WeakPolarHBondContact OG1-CB 3.44Å; S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact O-N 2.9Å; S381-L384 PolarHBondContact O-N 2.96Å; S381-M385 PolarHBondContact O-N 3.37Å
382	Y	91.5	Very high	90.6	Very high	154 Å²	154	48.1 Å²	48.1	60%	0.604	23%	0.227	S	C	*	.	H	α-helix	trans	-67.4	-36.8	179.3	100	-96.4	0	0	0	111.4	I380 M385 N386	I380-Y382 HydrophobicContact CG2-CD1 3.28Å; I380-Y382 HydrophobicContact CG2-CE1 3.56Å; I380-Y382 HydrophobicContact CG2-CG 4.26Å; I380-Y382 PolarHBondContact O-N 2.91Å; Y382-M385 PolarHBondContact O-N 3.46Å; Y382-N386 WeakPolarHBondContact CD2-ND2 3.34Å; Y382-N386 WeakPolarHBondContact O-CB 3.44Å; Y382-N386 VanDerWaalsContact O-CG 3.29Å; Y382-N386 PolarHBondContact O-N 2.89Å
383	L	89	Confident	90.4	Very high	45 Å²	45	48.6 Å²	48.6	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-43.2	179	-177.2	60.3	0	0	0	110.3	Y377 I380 S381 N386 L387	Y377-L383 VanDerWaalsContact O-CD2 3.26Å; Y377-L383 WeakPolarHBondContact O-CD2 3.19Å; I380-L383 HydrophobicContact CB-CB 3.91Å; I380-L383 HydrophobicContact CG2-CB 3.9Å; I380-L383 WeakPolarHBondContact O-CB 3.31Å; I380-L383 PolarHBondContact O-N 3.47Å; I380-L383 VanDerWaalsContact O-N 3.12Å; S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact O-N 2.9Å; L383-N386 PolarHBondContact O-N 3.43Å; L383-L387 VanDerWaalsContact O-CB 3.22Å; L383-L387 WeakPolarHBondContact O-CB 3.39Å; L383-L387 PolarHBondContact O-N 3.39Å
384	L	92.7	Very high	90.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-49.3	172.5	175.9	57.6	0	0	0	111.7	T162 L163 T166 I254 Y377 I380 S381 N386 L387 W388	T162-L384 HydrophobicContact CG2-CB 4.4Å; T162-L384 HydrophobicContact CG2-CD2 3.86Å; T162-L384 HydrophobicContact CG2-CG 4.25Å; L163-L384 HydrophobicContact CD2-CD2 3.59Å; L163-L384 HydrophobicContact CG-CD2 4.14Å; T166-L384 HydrophobicContact CG2-CG 4.37Å; I254-L384 HydrophobicContact CB-CD1 4.14Å; I254-L384 HydrophobicContact CD1-CD1 3.91Å; I254-L384 HydrophobicContact CG1-CD1 4.07Å; Y377-L384 HydrophobicContact CD1-CD1 4.32Å; Y377-L384 HydrophobicContact CD2-CB 3.94Å; Y377-L384 HydrophobicContact CE1-CD1 4.06Å; Y377-L384 HydrophobicContact CE1-CD2 4.39Å; Y377-L384 HydrophobicContact CE2-CB 3.56Å; Y377-L384 HydrophobicContact CE2-CD1 4.45Å; Y377-L384 HydrophobicContact CE2-CD2 4.28Å; Y377-L384 HydrophobicContact CE2-CG 4.3Å; I380-L384 PolarHBondContact O-N 3.29Å; S381-L384 PolarHBondContact O-N 2.96Å; L384-N386 PolarHBondContact O-N 2.96Å; L384-L387 PolarHBondContact O-N 2.92Å; L384-W388 VanDerWaalsContact O-CB 3.28Å; L384-W388 WeakPolarHBondContact O-CB 3.27Å; L384-W388 PolarHBondContact O-N 3.32Å
385	M	92.5	Very high	89.8	Confident	49 Å²	49	55.6 Å²	55.6	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-42	-179.5	-174.2	59.9	65.2	0	0	112	T162 N165 T166 S381 Y382 W388 K389	T162-M385 HydrophobicContact CG2-CE 4.17Å; N165-M385 HydrophobicContact CB-CE 4.26Å; T166-M385 HydrophobicContact CG2-CE 3.83Å; T166-M385 HydrophobicContact CG2-SD 4.19Å; S381-M385 PolarHBondContact O-N 3.37Å; Y382-M385 PolarHBondContact O-N 3.46Å; M385-W388 PolarHBondContact O-N 3.28Å; M385-K389 WeakPolarHBondContact O-CG 3.42Å; M385-K389 PolarHBondContact O-N 2.9Å; M385-K389 VanDerWaalsContact O-N 3.11Å
386	N	90.6	Very high	89.3	Confident	87 Å²	87	58.9 Å²	58.9	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-44.2	176.5	-76.1	-6.6	0	0	0	111.5	Y382 L383 L384 K389 S390	Y382-N386 WeakPolarHBondContact CD2-ND2 3.34Å; Y382-N386 WeakPolarHBondContact O-CB 3.44Å; Y382-N386 VanDerWaalsContact O-CG 3.29Å; Y382-N386 PolarHBondContact O-N 2.89Å; L383-N386 PolarHBondContact O-N 3.43Å; L384-N386 PolarHBondContact O-N 2.96Å; N386-K389 PolarHBondContact O-N 3.23Å; N386-S390 VanDerWaalsContact O-CB 3.28Å; N386-S390 WeakPolarHBondContact O-CB 3.3Å; N386-S390 PolarHBondContact O-N 3.42Å; N386-S390 PolarHBondContact O-OG 2.96Å
387	L	89.4	Confident	89	Confident	21 Å²	21	57.6 Å²	57.6	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-48.1	176.8	-179.2	62.4	0	0	0	110.8	I254 I365 L383 L384 K389 S390 L391	I254-L387 HydrophobicContact CB-CD2 4.43Å; I254-L387 HydrophobicContact CD1-CD2 3.71Å; I254-L387 HydrophobicContact CD1-CG 3.89Å; I254-L387 HydrophobicContact CG2-CD2 3.87Å; I365-L387 HydrophobicContact CD1-CD1 4Å; I365-L387 HydrophobicContact CD1-CD2 3.44Å; I365-L387 VanDerWaalsContact CD1-CD2 3.44Å; I365-L387 HydrophobicContact CD1-CG 4.3Å; L383-L387 VanDerWaalsContact O-CB 3.22Å; L383-L387 WeakPolarHBondContact O-CB 3.39Å; L383-L387 PolarHBondContact O-N 3.39Å; L384-L387 PolarHBondContact O-N 2.92Å; L387-K389 PolarHBondContact O-N 2.86Å; L387-S390 WeakPolarHBondContact CA-OG 3.39Å; L387-S390 PolarHBondContact O-N 3.35Å; L387-S390 VanDerWaalsContact O-N 3.13Å; L387-S390 PolarHBondContact O-OG 3.5Å; L387-L391 HydrophobicContact CD1-CD1 3.88Å; L387-L391 HydrophobicContact CD1-CG 4.17Å; L387-L391 HydrophobicContact CG-CD1 3.92Å; L387-L391 VanDerWaalsContact O-CG 3.3Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 2.79Å
388	W	91.3	Very high	88.6	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-53.9	-48.4	177.7	-175.3	-109.5	0	0	0	112.7	T166 W167 I254 P257 L384 M385 L391 R392 F393 C397	T166-W388 HydrophobicContact CG2-CB 3.92Å; T166-W388 HydrophobicContact CG2-CD2 4.14Å; T166-W388 HydrophobicContact CG2-CG 3.67Å; W167-W388 HydrophobicContact CB-CE3 4.2Å; W167-W388 HydrophobicContact CB-CH2 3.9Å; W167-W388 HydrophobicContact CB-CZ3 3.49Å; W167-W388 VanDerWaalsContact CB-CZ3 3.49Å; I254-W388 HydrophobicContact CD1-CE3 4.18Å; P257-W388 HydrophobicContact CG-CH2 4Å; P257-W388 HydrophobicContact CG-CZ3 4.4Å; L384-W388 VanDerWaalsContact O-CB 3.28Å; L384-W388 WeakPolarHBondContact O-CB 3.27Å; L384-W388 PolarHBondContact O-N 3.32Å; M385-W388 PolarHBondContact O-N 3.28Å; W388-L391 PolarHBondContact O-N 3.45Å; W388-R392 PolarHBondContact O-N 3.31Å; W388-F393 HydrophobicContact CD2-CB 3.66Å; W388-F393 HydrophobicContact CD2-CD2 4.42Å; W388-F393 HydrophobicContact CE3-CB 3.53Å; W388-F393 AromaticContact CE3-CD2 3.55Å; W388-F393 HydrophobicContact CE3-CD2 3.55Å; W388-F393 HydrophobicContact CE3-CG 4.02Å; W388-F393 HydrophobicContact CH2-CB 3.4Å; W388-F393 HydrophobicContact CH2-CD2 4.25Å; W388-F393 HydrophobicContact CH2-CG 4.13Å; W388-F393 HydrophobicContact CZ2-CB 3.54Å; W388-F393 HydrophobicContact CZ3-CB 3.36Å; W388-F393 AromaticContact CZ3-CD2 3.42Å; W388-F393 HydrophobicContact CZ3-CD2 3.42Å; W388-F393 VanDerWaalsContact CZ3-CD2 3.42Å; W388-F393 HydrophobicContact CZ3-CE2 4.42Å; W388-F393 AromaticContact CZ3-CG 3.74Å; W388-F393 HydrophobicContact CZ3-CG 3.74Å; W388-F393 PolarHBondContact O-N 3.47Å; W388-C397 VanDerWaalsContact CH2-SG 3.58Å; W388-C397 HydrophobicContact CZ2-CB 4.29Å; W388-C397 VanDerWaalsContact CZ2-SG 3.5Å
389	K	91.8	Very high	87.7	Confident	116 Å²	116	65 Å²	65	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-40.6	175.9	-69.7	178.2	179.3	-176.8	0	112.5	M385 N386 L387 L391 R392	M385-K389 WeakPolarHBondContact O-CG 3.42Å; M385-K389 PolarHBondContact O-N 2.9Å; M385-K389 VanDerWaalsContact O-N 3.11Å; N386-K389 PolarHBondContact O-N 3.23Å; L387-K389 PolarHBondContact O-N 2.86Å; K389-L391 PolarHBondContact O-N 2.86Å; K389-R392 WeakPolarHBondContact O-CA 3.48Å; K389-R392 PolarHBondContact O-N 2.93Å
390	S	89.1	Confident	87.9	Confident	57 Å²	57	66.5 Å²	66.5	40%	0.399	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-31.5	179.6	78.2	0	0	0	0	112.6	N386 L387 R392	N386-S390 VanDerWaalsContact O-CB 3.28Å; N386-S390 WeakPolarHBondContact O-CB 3.3Å; N386-S390 PolarHBondContact O-N 3.42Å; N386-S390 PolarHBondContact O-OG 2.96Å; L387-S390 WeakPolarHBondContact CA-OG 3.39Å; L387-S390 PolarHBondContact O-N 3.35Å; L387-S390 VanDerWaalsContact O-N 3.13Å; L387-S390 PolarHBondContact O-OG 3.5Å; S390-R392 VanDerWaalsContact C-N 3.27Å
391	L	88.7	Confident	87.8	Confident	19 Å²	19	66.2 Å²	66.2	10%	0.099	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.9	174.9	-64.7	172.7	0	0	0	112.7	I254 I365 R369 F372 L387 W388 K389 F393	I254-L391 HydrophobicContact CD1-CD1 4.21Å; I365-L391 HydrophobicContact CG2-CD2 4.41Å; R369-L391 HydrophobicContact CB-CD2 3.85Å; R369-L391 HydrophobicContact CG-CD2 3.62Å; F372-L391 HydrophobicContact CE1-CD1 3.9Å; F372-L391 HydrophobicContact CE1-CD2 4.39Å; F372-L391 HydrophobicContact CZ-CD1 3.73Å; L387-L391 HydrophobicContact CD1-CD1 3.88Å; L387-L391 HydrophobicContact CD1-CG 4.17Å; L387-L391 HydrophobicContact CG-CD1 3.92Å; L387-L391 VanDerWaalsContact O-CG 3.3Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 2.79Å; W388-L391 PolarHBondContact O-N 3.45Å; K389-L391 PolarHBondContact O-N 2.86Å; L391-F393 HydrophobicContact CB-CD1 4.45Å; L391-F393 HydrophobicContact CB-CD2 3.66Å; L391-F393 HydrophobicContact CB-CE1 4.46Å; L391-F393 HydrophobicContact CB-CE2 3.74Å; L391-F393 HydrophobicContact CB-CG 4.04Å; L391-F393 HydrophobicContact CB-CZ 4.11Å; L391-F393 HydrophobicContact CD1-CD2 3.9Å; L391-F393 HydrophobicContact CD1-CE2 3.45Å; L391-F393 VanDerWaalsContact CD1-CE2 3.45Å; L391-F393 HydrophobicContact CD1-CZ 4.19Å; L391-F393 HydrophobicContact CG-CD2 4.44Å; L391-F393 HydrophobicContact CG-CE2 4.18Å; L391-F393 PolarHBondContact O-N 3.2Å
392	R	89.5	Confident	87.6	Confident	168 Å²	168	68.3 Å²	68.3	63%	0.634	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	25.6	-176.4	-55.5	-176.7	175.2	-174.7	-0.6	113.6	W388 K389 S390 D394 K395 L396	W388-R392 PolarHBondContact O-N 3.31Å; K389-R392 WeakPolarHBondContact O-CA 3.48Å; K389-R392 PolarHBondContact O-N 2.93Å; S390-R392 VanDerWaalsContact C-N 3.27Å; R392-D394 VanDerWaalsContact C-N 3.29Å; R392-D394 VanDerWaalsContact C-OD1 3.24Å; R392-D394 WeakPolarHBondContact CA-OD1 3.47Å; R392-K395 PolarHBondContact O-N 3.03Å; R392-L396 PolarHBondContact O-N 3.29Å
393	F	90.1	Very high	87.4	Confident	11 Å²	11	63.3 Å²	63.3	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-73.1	-25	179.2	-69.1	-36.2	0	0	0	112.8	N256 F372 W388 L391 K395 L396 C397	N256-F393 HydrophobicContact CB-CE2 4.23Å; N256-F393 HydrophobicContact CB-CZ 3.81Å; N256-F393 VanDerWaalsContact CG-CZ 3.41Å; N256-F393 WeakPolarHBondContact ND2-CZ 3.46Å; F372-F393 HydrophobicContact CE1-CE2 4.37Å; F372-F393 HydrophobicContact CE1-CZ 4.31Å; F372-F393 AromaticContact CZ-CE2 3.87Å; F372-F393 HydrophobicContact CZ-CE2 3.87Å; F372-F393 HydrophobicContact CZ-CZ 4.17Å; W388-F393 HydrophobicContact CD2-CB 3.66Å; W388-F393 HydrophobicContact CD2-CD2 4.42Å; W388-F393 HydrophobicContact CE3-CB 3.53Å; W388-F393 AromaticContact CE3-CD2 3.55Å; W388-F393 HydrophobicContact CE3-CD2 3.55Å; W388-F393 HydrophobicContact CE3-CG 4.02Å; W388-F393 HydrophobicContact CH2-CB 3.4Å; W388-F393 HydrophobicContact CH2-CD2 4.25Å; W388-F393 HydrophobicContact CH2-CG 4.13Å; W388-F393 HydrophobicContact CZ2-CB 3.54Å; W388-F393 HydrophobicContact CZ3-CB 3.36Å; W388-F393 AromaticContact CZ3-CD2 3.42Å; W388-F393 HydrophobicContact CZ3-CD2 3.42Å; W388-F393 VanDerWaalsContact CZ3-CD2 3.42Å; W388-F393 HydrophobicContact CZ3-CE2 4.42Å; W388-F393 AromaticContact CZ3-CG 3.74Å; W388-F393 HydrophobicContact CZ3-CG 3.74Å; W388-F393 PolarHBondContact O-N 3.47Å; L391-F393 HydrophobicContact CB-CD1 4.45Å; L391-F393 HydrophobicContact CB-CD2 3.66Å; L391-F393 HydrophobicContact CB-CE1 4.46Å; L391-F393 HydrophobicContact CB-CE2 3.74Å; L391-F393 HydrophobicContact CB-CG 4.04Å; L391-F393 HydrophobicContact CB-CZ 4.11Å; L391-F393 HydrophobicContact CD1-CD2 3.9Å; L391-F393 HydrophobicContact CD1-CE2 3.45Å; L391-F393 VanDerWaalsContact CD1-CE2 3.45Å; L391-F393 HydrophobicContact CD1-CZ 4.19Å; L391-F393 HydrophobicContact CG-CD2 4.44Å; L391-F393 HydrophobicContact CG-CE2 4.18Å; L391-F393 PolarHBondContact O-N 3.2Å; F393-K395 VanDerWaalsContact C-N 3.31Å; F393-K395 PolarHBondContact O-N 3.31Å; F393-L396 HydrophobicContact CD1-CD1 3.84Å; F393-L396 HydrophobicContact CE1-CD1 4.33Å; F393-L396 CarbonylContact O-C 3.57Å; F393-L396 PolarHBondContact O-N 3.36Å; F393-C397 WeakPolarHBondContact O-CB 3.46Å; F393-C397 PolarHBondContact O-N 3.41Å; F393-C397 PolarHBondContact O-SG 3.08Å; F393-C397 VanDerWaalsContact O-SG 3.4Å
394	D	88.6	Confident	87.3	Confident	44 Å²	44	64.4 Å²	64.4	24%	0.235	31%	0.308	C	S	.	.	H	α-helix	trans	-53.7	-48.5	167.3	59.5	-33.6	0	0	0	111.4	R392 L396 C397 Y398	R392-D394 VanDerWaalsContact C-N 3.29Å; R392-D394 VanDerWaalsContact C-OD1 3.24Å; R392-D394 WeakPolarHBondContact CA-OD1 3.47Å; D394-L396 PolarHBondContact O-N 3.48Å; D394-C397 PolarHBondContact O-N 3.04Å; D394-Y398 HydrophobicContact CB-CD2 4.33Å; D394-Y398 HydrophobicContact CB-CE2 4.38Å; D394-Y398 WeakPolarHBondContact O-CB 3.25Å; D394-Y398 WeakPolarHBondContact O-CD2 3.45Å; D394-Y398 PolarHBondContact O-N 2.88Å; D394-Y398 VanDerWaalsContact O-N 3.14Å
395	K	87.2	Confident	86.9	Confident	118 Å²	118	68.7 Å²	68.7	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-38	176.4	-63.7	-176.6	177.6	-172.5	0	112.3	R392 F393 N399	R392-K395 PolarHBondContact O-N 3.03Å; F393-K395 VanDerWaalsContact C-N 3.31Å; F393-K395 PolarHBondContact O-N 3.31Å; K395-N399 VanDerWaalsContact O-CB 3.24Å; K395-N399 WeakPolarHBondContact O-CB 3.18Å; K395-N399 PolarHBondContact O-N 2.85Å
396	L	83.3	Confident	86.5	Confident	69 Å²	69	70.1 Å²	70.1	36%	0.361	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-23.5	-178.8	-71.7	167.2	0	0	0	113.5	K175 L258 R392 F393 D394	K175-L396 WeakPolarHBondContact CE-O 3.49Å; K175-L396 PolarHBondContact NZ-O 2.88Å; L258-L396 HydrophobicContact CD1-CD1 4Å; R392-L396 PolarHBondContact O-N 3.29Å; F393-L396 HydrophobicContact CD1-CD1 3.84Å; F393-L396 HydrophobicContact CE1-CD1 4.33Å; F393-L396 CarbonylContact O-C 3.57Å; F393-L396 PolarHBondContact O-N 3.36Å; D394-L396 PolarHBondContact O-N 3.48Å
397	C	85.7	Confident	86.2	Confident	7 Å²	7	68.8 Å²	68.8	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-93.6	-30.6	178.7	-71.5	0	0	0	0	113.6	C172 W388 F393 D394	C172-C397 VanDerWaalsContact CA-SG 3.5Å; C172-C397 HydrophobicContact CB-CB 3.94Å; C172-C397 WeakPolarHBondContact CB-SG 3.29Å; C172-C397 WeakPolarHBondContact SG-CB 3.24Å; C172-C397 CovalentContact SG-SG 2.03Å; C172-C397 PolarHBondContact SG-SG 3.19Å; W388-C397 VanDerWaalsContact CH2-SG 3.58Å; W388-C397 HydrophobicContact CZ2-CB 4.29Å; W388-C397 VanDerWaalsContact CZ2-SG 3.5Å; F393-C397 WeakPolarHBondContact O-CB 3.46Å; F393-C397 PolarHBondContact O-N 3.41Å; F393-C397 PolarHBondContact O-SG 3.08Å; F393-C397 VanDerWaalsContact O-SG 3.4Å; D394-C397 PolarHBondContact O-N 3.04Å
398	Y	79.7	Confident	85.9	Confident	104 Å²	104	72.8 Å²	72.8	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-103.8	-16.7	-171.7	-57.3	-53.8	0	0	0	114.8	N165 K171 D394	N165-Y398 PolarHBondContact O-OH 2.88Å; K171-Y398 HydrophobicContact CD-CD1 4.32Å; D394-Y398 HydrophobicContact CB-CD2 4.33Å; D394-Y398 HydrophobicContact CB-CE2 4.38Å; D394-Y398 WeakPolarHBondContact O-CB 3.25Å; D394-Y398 WeakPolarHBondContact O-CD2 3.45Å; D394-Y398 PolarHBondContact O-N 2.88Å; D394-Y398 VanDerWaalsContact O-N 3.14Å
399	N	66.1	Low	85.4	Confident	159 Å²	159	79.3 Å²	79.3	85%	0.85	37%	0.373	S	S	*	.			trans	-91	0	163.4	-59.7	-7.4	0	0	0	109.6	K175 K395	K175-N399 PolarHBondContact NZ-OXT 3.45Å; K395-N399 VanDerWaalsContact O-CB 3.24Å; K395-N399 WeakPolarHBondContact O-CB 3.18Å; K395-N399 PolarHBondContact O-N 2.85Å

Retrieved 399 of 399 residues in 191.7 ms (Link to these results)

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