A0A3Q0KPV9_SCHMA Loading...

SmCL2-like peptidase (C01 family)

AlphaFold DB , UniProt , Accession A0A3Q0KPV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 359 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	38.7	Very low	40.2	Very low	239 Å²	239	161.5 Å²	161.5	100%	1.177	80%	0.802	S	S	*	*				0	35.5	0	-90	-175.3	75.3	0	0	112.4
2	I	38.2	Very low	40	Very low	162 Å²	162	156.6 Å²	156.6	83%	0.831	79%	0.787	S	S	*	*			trans	-151.3	78.1	179.2	-54.1	176.2	0	0	0	107.8
3	T	41.9	Very low	39.9	Very low	139 Å²	139	158.1 Å²	158.1	85%	0.853	79%	0.789	S	S	*	*			trans	-162	25.2	174.5	8.5	0	0	0	0	114.8
4	L	41.1	Very low	40.4	Very low	163 Å²	163	153.1 Å²	153.1	85%	0.853	77%	0.771	S	S	*	*	S	Bend	trans	-120.3	2.8	-179.5	-127.5	85.3	0	0	0	115.6
5	L	41.9	Very low	40.3	Very low	156 Å²	156	151.6 Å²	151.6	82%	0.817	75%	0.754	S	S	*	*	S	Bend	trans	-101.9	-3.4	-172.9	-83.8	156	0	0	0	115.3
6	F	42.1	Very low	40.1	Very low	188 Å²	188	149.8 Å²	149.8	83%	0.825	76%	0.756	S	S	*	*	S	Bend	trans	-91.1	-10.7	-174.6	-97	-86.2	0	0	0	115.8
7	Y	41.2	Very low	39.6	Very low	185 Å²	185	150.2 Å²	150.2	73%	0.725	76%	0.761	S	S	*	*	S	Bend	trans	-96.9	-8.8	-175.2	-79	-80.5	0	0	0	115.4	H9 L10	Y7-H9 VanDerWaalsContact C-N 3.32Å; Y7-H9 PolarHBondContact O-N 3.16Å; Y7-L10 HydrophobicContact CD1-CD1 4.3Å
8	L	36.9	Very low	39.4	Very low	136 Å²	136	152.1 Å²	152.1	71%	0.712	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-13.3	177.3	-103.5	100.1	0	0	0	114.2
9	H	37.6	Very low	38.9	Very low	152 Å²	152	150.3 Å²	150.3	70%	0.704	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-10.7	178.5	-79.9	-33.2	0	0	0	114.7	Y7	Y7-H9 VanDerWaalsContact C-N 3.32Å; Y7-H9 PolarHBondContact O-N 3.16Å
10	L	41.4	Very low	38.7	Very low	121 Å²	121	151.9 Å²	151.9	63%	0.634	77%	0.768	S	S	*	*	S	Bend	trans	-83.2	-15	179.4	-90.6	146.7	0	0	0	114.2	Y7	Y7-L10 HydrophobicContact CD1-CD1 4.3Å
11	I	41.3	Very low	38.5	Very low	135 Å²	135	151.1 Å²	151.1	69%	0.692	77%	0.771	S	S	*	*	S	Bend	trans	-93.6	-19.4	-179.2	-61.4	175.7	0	0	0	111.9
12	V	37.8	Very low	38.1	Very low	103 Å²	103	148.1 Å²	148.1	62%	0.624	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-9.4	-174.3	-176	0	0	0	0	113.2
13	H	38.9	Very low	37.8	Very low	176 Å²	176	148 Å²	148	82%	0.815	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	11.8	176.2	-74.9	-8.9	0	0	0	114.3
14	V	46.4	Very low	37.3	Very low	88 Å²	88	145.6 Å²	145.6	53%	0.533	74%	0.744	S	S	.	*	S	Bend	trans	-93.8	-33.4	-178.4	-178.4	0	0	0	0	112.6
15	Y	39.6	Very low	36.7	Very low	131 Å²	131	144.9 Å²	144.9	51%	0.514	74%	0.741	S	S	.	*			trans	-160	134.8	171.8	-70.3	-73.3	0	0	0	114.1	L55	Y15-L55 HydrophobicContact CE2-CD2 4.13Å
16	P	36.7	Very low	36.3	Very low	122 Å²	122	145.2 Å²	145.2	79%	0.792	74%	0.744	S	S	*	*			trans	-79.9	142.6	164.6	27.2	-19.6	0	0	0	111.2	H18	P16-H18 PolarHBondContact O-N 3.37Å
17	N	31.6	Very low	35.7	Very low	157 Å²	157	144.2 Å²	144.2	84%	0.84	75%	0.747	S	S	*	*			trans	-39.3	121.5	-176.4	-66.9	-40.5	0	0	0	115.7
18	H	36.4	Very low	35.3	Very low	184 Å²	184	139.6 Å²	139.6	85%	0.852	74%	0.741	S	S	*	*			trans	-130.2	110.7	152.1	-92.5	-60.6	0	0	0	110.9	P16	P16-H18 PolarHBondContact O-N 3.37Å
19	T	29.8	Very low	35	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	75%	0.751	S	S	*	*			trans	-80.5	121.7	170.3	46.6	0	0	0	0	109.8
20	H	35	Very low	35.3	Very low	182 Å²	182	142 Å²	142	84%	0.843	75%	0.745	S	S	*	*			trans	-151.1	144.7	152.5	-89.4	-58.2	0	0	0	112.6
21	T	33.5	Very low	35.4	Very low	135 Å²	135	139 Å²	139	83%	0.828	73%	0.731	S	S	*	*			trans	-77.9	137.2	-161.9	43.1	0	0	0	0	114.4
22	H	31.1	Very low	35.6	Very low	177 Å²	177	135.5 Å²	135.5	82%	0.819	72%	0.716	S	S	*	*			trans	-66.5	142	171.9	-94.3	-73.4	0	0	0	113
23	N	32.1	Very low	36	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	70%	0.702	S	S	*	*			trans	-133	129.1	148.7	-144.9	-0.1	0	0	0	109.3
24	S	31	Very low	36.1	Very low	88 Å²	88	132.9 Å²	132.9	62%	0.615	70%	0.7	S	S	*	*			trans	-84.2	140.7	-167.1	48.4	0	0	0	0	113.2
25	N	29.5	Very low	35.8	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	71%	0.709	S	S	*	*			trans	159.3	98.4	133.9	-80.9	-15.4	0	0	0	109.8
26	N	32.6	Very low	35.8	Very low	164 Å²	164	133.5 Å²	133.5	88%	0.877	71%	0.706	S	S	*	*			trans	-156.5	113.2	151	-100.8	-18.4	0	0	0	109.5	S28	N26-S28 PolarHBondContact O-N 2.99Å; N26-S28 VanDerWaalsContact O-N 3.15Å
27	N	28.7	Very low	35.6	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	70%	0.7	S	S	*	*			trans	-69.1	99.2	171.5	-74.6	-27.3	0	0	0	109.1
28	S	34.3	Very low	35.9	Very low	88 Å²	88	135.4 Å²	135.4	62%	0.615	70%	0.703	S	S	*	*			trans	-116.2	122.7	155.3	69.3	0	0	0	0	108.2	N26 D30	N26-S28 PolarHBondContact O-N 2.99Å; N26-S28 VanDerWaalsContact O-N 3.15Å; S28-D30 PolarHBondContact O-N 2.97Å
29	Y	30.2	Very low	36.1	Very low	231 Å²	231	132.7 Å²	132.7	91%	0.906	70%	0.7	S	S	*	*			trans	-59.7	105.2	176.7	-69.1	-90.9	0	0	0	109.9
30	D	43	Very low	36.8	Very low	108 Å²	108	131.7 Å²	131.7	58%	0.578	69%	0.694	S	S	*	*			trans	-72.5	131.5	175.8	-151.7	-5.8	0	0	0	108.8	S28 T32	S28-D30 PolarHBondContact O-N 2.97Å; D30-T32 PolarHBondContact O-N 3.39Å
31	V	44.7	Very low	37.3	Very low	57 Å²	57	131.1 Å²	131.1	35%	0.345	70%	0.695	S	S	.	*			trans	-72.5	81.9	168.2	178.3	0	0	0	0	106.1	D33 Y63	V31-D33 PolarHBondContact O-N 2.99Å; V31-Y63 HydrophobicContact CG1-CD2 4.11Å
32	T	44.4	Very low	38.2	Very low	62 Å²	62	129.9 Å²	129.9	38%	0.38	68%	0.682	S	S	.	*			trans	-8.4	103.3	176.9	50.6	0	0	0	0	115.1	D30 Q34 Q35	D30-T32 PolarHBondContact O-N 3.39Å; T32-Q34 HydrophobicContact CG2-CB 4.11Å; T32-Q34 HydrophobicContact CG2-CG 4.26Å; T32-Q34 PolarHBondContact O-N 3.14Å; T32-Q35 PolarHBondContact O-N 3.02Å
33	D	47.1	Very low	40.3	Very low	62 Å²	62	125.8 Å²	125.8	33%	0.332	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-51.2	-11	148.3	-76.3	-28.7	0	0	0	111.1	V31 Q35 V36 L50 K53	V31-D33 PolarHBondContact O-N 2.99Å; D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 2.78Å; D33-V36 PolarHBondContact O-N 3.12Å; D33-L50 WeakPolarHBondContact OD1-CD2 3.39Å; D33-K53 IonicContact OD1-NZ 3.24Å; D33-K53 PolarHBondContact OD1-NZ 2.96Å; D33-K53 IonicContact OD2-NZ 3.83Å
34	Q	41.4	Very low	42.9	Very low	163 Å²	163	123.7 Å²	123.7	76%	0.762	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-72.7	-2.3	174.6	-52.5	-178.6	-43.2	0	0	115.8	T32	T32-Q34 HydrophobicContact CG2-CB 4.11Å; T32-Q34 HydrophobicContact CG2-CG 4.26Å; T32-Q34 PolarHBondContact O-N 3.14Å
35	Q	38.7	Very low	45.7	Very low	156 Å²	156	121.1 Å²	121.1	73%	0.729	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-89.6	0.4	166.4	-84.7	-171.2	-15.5	0	0	113.9	T32 D33 N37	T32-Q35 PolarHBondContact O-N 3.02Å; D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 2.78Å; Q35-N37 VanDerWaalsContact C-N 3.3Å; Q35-N37 PolarHBondContact O-N 3.46Å
36	V	39.9	Very low	48.6	Very low	75 Å²	75	116 Å²	116	46%	0.455	61%	0.607	S	S	.	*	S	Bend	trans	-73.6	92.7	161	-174.3	0	0	0	0	107.2	D33 H38	D33-V36 PolarHBondContact O-N 3.12Å; V36-H38 PolarHBondContact O-N 3.25Å; V36-H38 VanDerWaalsContact O-N 3.14Å
37	N	32.8	Very low	51.4	Low	126 Å²	126	112.1 Å²	112.1	67%	0.674	59%	0.586	S	S	*	*			trans	-45.1	120.9	175.3	-118.5	-10.1	0	0	0	109.8	Q35 T39	Q35-N37 VanDerWaalsContact C-N 3.3Å; Q35-N37 PolarHBondContact O-N 3.46Å; N37-T39 PolarHBondContact O-N 3.4Å
38	H	36.9	Very low	54.6	Low	194 Å²	194	106.7 Å²	106.7	90%	0.898	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	36.7	-177.2	-91.5	-66.8	0	0	0	114.6	V36	V36-H38 PolarHBondContact O-N 3.25Å; V36-H38 VanDerWaalsContact O-N 3.14Å
39	T	41.5	Very low	57.5	Low	127 Å²	127	102.6 Å²	102.6	78%	0.779	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	6.4	-178.6	31.1	0	0	0	0	115.3	N37	N37-T39 PolarHBondContact O-N 3.4Å
40	T	44.3	Very low	60.6	Low	98 Å²	98	94.5 Å²	94.5	60%	0.601	50%	0.5	S	S	*	.	S	Bend	trans	-120.5	134.7	176.2	42.8	0	0	0	0	111.2	I42	T40-I42 PolarHBondContact O-N 3.38Å
41	I	45.4	Very low	63.1	Low	170 Å²	170	94.6 Å²	94.6	87%	0.872	50%	0.497	S	S	*	.			trans	-44.4	115.4	173.9	-63.2	167	0	0	0	108.3	D43	I41-D43 PolarHBondContact O-N 2.89Å; I41-D43 VanDerWaalsContact O-N 3.15Å
42	I	53.7	Low	65.6	Low	108 Å²	108	92.3 Å²	92.3	55%	0.554	48%	0.482	S	S	*	.			trans	-62.3	117.2	174.7	-61.3	173.7	0	0	0	106.3	T40 D46 L47	T40-I42 PolarHBondContact O-N 3.38Å; I42-D46 HydrophobicContact CG2-CB 3.81Å; I42-L47 HydrophobicContact CG2-CB 4.19Å
43	D	74.6	Confident	68.1	Low	92 Å²	92	90.3 Å²	90.3	49%	0.492	47%	0.468	S	S	.	.			trans	-59.6	144	174.3	-168.5	-13.8	0	0	0	108.5	I41 D45 D46 L47	I41-D43 PolarHBondContact O-N 2.89Å; I41-D43 VanDerWaalsContact O-N 3.15Å; D43-D45 PolarHBondContact O-N 3.47Å; D43-D45 VanDerWaalsContact O-N 3.15Å; D43-D45 PolarHBondContact OD1-N 2.92Å; D43-D46 HydrophobicContact CB-CB 4.48Å; D43-D46 WeakPolarHBondContact O-CB 3.29Å; D43-D46 PolarHBondContact O-N 2.82Å; D43-L47 PolarHBondContact O-N 2.96Å
44	N	86	Confident	70.4	Confident	114 Å²	114	94.3 Å²	94.3	61%	0.61	48%	0.484	S	S	*	.	H	α-helix	trans	-56.3	-34	178.6	-171.9	26.7	0	0	0	111.2	D46 L48	N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 PolarHBondContact O-N 3.27Å; N44-L48 WeakPolarHBondContact O-CB 3.24Å; N44-L48 PolarHBondContact O-N 3.41Å; N44-L48 VanDerWaalsContact O-N 3.09Å
45	D	89.7	Confident	73	Confident	35 Å²	35	91 Å²	91	19%	0.187	47%	0.471	C	S	.	.	H	α-helix	trans	-71.4	-25.6	177.5	-72.8	-4.5	0	0	0	112.4	D43 W49 L74 L77 K81	D43-D45 PolarHBondContact O-N 3.47Å; D43-D45 VanDerWaalsContact O-N 3.15Å; D43-D45 PolarHBondContact OD1-N 2.92Å; D45-W49 WeakPolarHBondContact O-CB 3.49Å; D45-W49 PolarHBondContact O-N 3.2Å; D45-L74 HydrophobicContact CB-CD2 4.12Å; D45-L77 HydrophobicContact CB-CD2 4.45Å; D45-K81 IonicContact OD1-NZ 2.91Å; D45-K81 PolarHBondContact OD1-NZ 2.88Å; D45-K81 IonicContact OD2-NZ 2.99Å; D45-K81 PolarHBondContact OD2-NZ 3.38Å; D45-K81 VanDerWaalsContact OD2-NZ 3.14Å
46	D	90.4	Very high	75.6	Confident	40 Å²	40	85.2 Å²	85.2	21%	0.214	44%	0.444	C	S	.	.	H	α-helix	trans	-70.3	-47.6	174.8	-74.6	-18.7	0	0	0	111.8	I42 D43 N44 L48 W49 L50 R70	I42-D46 HydrophobicContact CG2-CB 3.81Å; D43-D46 HydrophobicContact CB-CB 4.48Å; D43-D46 WeakPolarHBondContact O-CB 3.29Å; D43-D46 PolarHBondContact O-N 2.82Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 PolarHBondContact O-N 3.27Å; D46-L48 VanDerWaalsContact C-N 3.3Å; D46-L48 PolarHBondContact O-N 3.35Å; D46-W49 PolarHBondContact O-N 2.99Å; D46-L50 WeakPolarHBondContact O-CG 3.47Å; D46-L50 PolarHBondContact O-N 2.97Å; D46-L50 VanDerWaalsContact O-N 3.09Å; D46-R70 IonicContact OD1-CZ 2.68Å; D46-R70 IonicContact OD1-NE 2.74Å; D46-R70 IonicContact OD1-NH2 3.14Å; D46-R70 PolarHBondContact OD1-NH2 3.11Å
47	L	92.5	Very high	78.2	Confident	83 Å²	83	89.7 Å²	89.7	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.8	178.7	60.4	0	0	0	110.8	I42 D43 W49 L50 Q51	I42-L47 HydrophobicContact CG2-CB 4.19Å; D43-L47 PolarHBondContact O-N 2.96Å; L47-W49 VanDerWaalsContact C-N 3.35Å; L47-W49 PolarHBondContact O-N 3.25Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-Q51 HydrophobicContact CD1-CG 4.41Å; L47-Q51 WeakPolarHBondContact O-CG 3.46Å; L47-Q51 PolarHBondContact O-N 2.98Å
48	L	94.3	Very high	81.2	Confident	52 Å²	52	85.9 Å²	85.9	27%	0.272	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-38	177.9	-176.3	64.9	0	0	0	112.1	N44 D46 Q51 W52 W73 L77 L98	N44-L48 WeakPolarHBondContact O-CB 3.24Å; N44-L48 PolarHBondContact O-N 3.41Å; N44-L48 VanDerWaalsContact O-N 3.09Å; D46-L48 VanDerWaalsContact C-N 3.3Å; D46-L48 PolarHBondContact O-N 3.35Å; L48-Q51 PolarHBondContact O-N 2.82Å; L48-W52 VanDerWaalsContact O-CB 3.26Å; L48-W52 WeakPolarHBondContact O-CB 3.39Å; L48-W52 PolarHBondContact O-N 2.99Å; L48-W73 HydrophobicContact CB-CH2 3.92Å; L48-W73 HydrophobicContact CB-CZ2 4.45Å; L48-W73 HydrophobicContact CD2-CH2 3.83Å; L48-W73 HydrophobicContact CD2-CZ2 4.14Å; L48-W73 HydrophobicContact CG-CH2 3.68Å; L48-W73 HydrophobicContact CG-CZ2 3.82Å; L48-L77 HydrophobicContact CD2-CD1 4.03Å; L48-L77 HydrophobicContact CD2-CD2 3.92Å; L48-L98 HydrophobicContact CD2-CD1 4.24Å; L48-L98 HydrophobicContact CG-CD1 4.35Å
49	W	96.4	Very high	83.9	Confident	2 Å²	2	82.5 Å²	82.5	1%	0.008	43%	0.426	C	S	.	.	H	α-helix	trans	-61.9	-46.5	173.7	166.1	-111.3	0	0	0	112.1	D45 D46 L47 Q51 W52 K53 Y60 Y66 H69 R70 W73 D103	D45-W49 WeakPolarHBondContact O-CB 3.49Å; D45-W49 PolarHBondContact O-N 3.2Å; D46-W49 PolarHBondContact O-N 2.99Å; L47-W49 VanDerWaalsContact C-N 3.35Å; L47-W49 PolarHBondContact O-N 3.25Å; W49-Q51 PolarHBondContact O-N 3.47Å; W49-W52 AromaticContact CE3-CE3 3.75Å; W49-W52 HydrophobicContact CE3-CE3 3.75Å; W49-W52 HydrophobicContact CE3-CZ3 4.18Å; W49-W52 HydrophobicContact CH2-CE3 4.34Å; W49-W52 AromaticContact CH2-CZ3 3.96Å; W49-W52 HydrophobicContact CH2-CZ3 3.96Å; W49-W52 AromaticContact CZ3-CE3 3.49Å; W49-W52 HydrophobicContact CZ3-CE3 3.49Å; W49-W52 VanDerWaalsContact CZ3-CE3 3.49Å; W49-W52 HydrophobicContact CZ3-CH2 4.48Å; W49-W52 AromaticContact CZ3-CZ3 3.43Å; W49-W52 HydrophobicContact CZ3-CZ3 3.43Å; W49-W52 VanDerWaalsContact CZ3-CZ3 3.43Å; W49-W52 PolarHBondContact O-N 3.06Å; W49-K53 HydrophobicContact CD2-CD 4.46Å; W49-K53 HydrophobicContact CD2-CG 4.06Å; W49-K53 HydrophobicContact CE3-CG 4.34Å; W49-K53 HydrophobicContact CH2-CD 4.47Å; W49-K53 HydrophobicContact CH2-CG 4.08Å; W49-K53 HydrophobicContact CZ2-CD 3.7Å; W49-K53 HydrophobicContact CZ2-CG 3.75Å; W49-K53 HydrophobicContact CZ3-CG 4.34Å; W49-K53 PolarHBondContact O-N 2.85Å; W49-Y60 AromaticContact CH2-CE2 3.69Å; W49-Y60 HydrophobicContact CH2-CE2 3.69Å; W49-Y60 AromaticContact CH2-CZ 3.9Å; W49-Y60 WeakPolarHBondContact CH2-OH 3.44Å; W49-Y60 HydrophobicContact CZ2-CD2 4.49Å; W49-Y60 AromaticContact CZ2-CE2 3.65Å; W49-Y60 HydrophobicContact CZ2-CE2 3.65Å; W49-Y66 HydrophobicContact CZ2-CD2 4.41Å; W49-Y66 HydrophobicContact CZ2-CE2 4.02Å; W49-Y66 AromaticContact NE1-CE2 3.44Å; W49-Y66 AromaticContact NE1-CZ 3.27Å; W49-Y66 VanDerWaalsContact NE1-CZ 3.27Å; W49-Y66 PolarHBondContact NE1-OH 3.16Å; W49-H69 HydrophobicContact CH2-CB 4.24Å; W49-R70 HydrophobicContact CD2-CB 4.4Å; W49-R70 HydrophobicContact CD2-CG 4.08Å; W49-R70 HydrophobicContact CG-CG 4.31Å; W49-R70 HydrophobicContact CH2-CB 4.13Å; W49-R70 HydrophobicContact CZ2-CB 3.72Å; W49-R70 HydrophobicContact CZ2-CG 4.28Å; W49-W73 HydrophobicContact CB-CE3 4.23Å; W49-W73 HydrophobicContact CB-CH2 3.97Å; W49-W73 HydrophobicContact CB-CZ2 4.42Å; W49-W73 HydrophobicContact CB-CZ3 3.87Å; W49-W73 HydrophobicContact CE3-CB 3.78Å; W49-W73 AromaticContact CE3-CD1 3.71Å; W49-W73 AromaticContact CE3-CD2 3.51Å; W49-W73 HydrophobicContact CE3-CD2 3.51Å; W49-W73 AromaticContact CE3-CE2 3.9Å; W49-W73 AromaticContact CE3-CE3 3.95Å; W49-W73 HydrophobicContact CE3-CE3 3.95Å; W49-W73 AromaticContact CE3-CG 3.41Å; W49-W73 HydrophobicContact CE3-CG 3.41Å; W49-W73 VanDerWaalsContact CE3-CG 3.41Å; W49-W73 AromaticContact CE3-NE1 4Å; W49-W73 HydrophobicContact CH2-CB 4.41Å; W49-W73 HydrophobicContact CZ3-CB 3.44Å; W49-W73 VanDerWaalsContact CZ3-CB 3.44Å; W49-W73 AromaticContact CZ3-CD1 3.63Å; W49-W73 HydrophobicContact CZ3-CD2 4.08Å; W49-W73 AromaticContact CZ3-CG 3.45Å; W49-W73 HydrophobicContact CZ3-CG 3.45Å; W49-W73 VanDerWaalsContact CZ3-CG 3.45Å; W49-D103 HydrophobicContact CH2-CB 4.42Å; W49-D103 HydrophobicContact CZ3-CB 4.35Å
50	L	95.6	Very high	86.5	Confident	61 Å²	61	77.8 Å²	77.8	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-43.4	178.2	-65.2	-179.7	0	0	0	111.8	D33 D46 L47 K53 H54	D33-L50 WeakPolarHBondContact OD1-CD2 3.39Å; D46-L50 WeakPolarHBondContact O-CG 3.47Å; D46-L50 PolarHBondContact O-N 2.97Å; D46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 PolarHBondContact O-N 2.86Å; L50-K53 PolarHBondContact O-N 2.96Å; L50-H54 WeakPolarHBondContact O-CB 3.44Å; L50-H54 PolarHBondContact O-N 3.36Å; L50-H54 VanDerWaalsContact O-N 3.07Å
51	Q	95.4	Very high	88.8	Confident	110 Å²	110	78.2 Å²	78.2	51%	0.514	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-44	175.4	-72.6	175.7	-7	0	0	111.9	L47 L48 W49 H54 L55	L47-Q51 HydrophobicContact CD1-CG 4.41Å; L47-Q51 WeakPolarHBondContact O-CG 3.46Å; L47-Q51 PolarHBondContact O-N 2.98Å; L48-Q51 PolarHBondContact O-N 2.82Å; W49-Q51 PolarHBondContact O-N 3.47Å; Q51-H54 PolarHBondContact O-N 3.43Å; Q51-L55 WeakPolarHBondContact O-CB 3.44Å; Q51-L55 PolarHBondContact O-N 3.44Å
52	W	96.7	Very high	91.2	Very high	9 Å²	9	73.5 Å²	73.5	3%	0.034	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-44.7	178.1	177.2	89.3	0	0	0	111.9	L48 W49 H54 L55 H56 K58 W73 N99 D103	L48-W52 VanDerWaalsContact O-CB 3.26Å; L48-W52 WeakPolarHBondContact O-CB 3.39Å; L48-W52 PolarHBondContact O-N 2.99Å; W49-W52 AromaticContact CE3-CE3 3.75Å; W49-W52 HydrophobicContact CE3-CE3 3.75Å; W49-W52 HydrophobicContact CE3-CZ3 4.18Å; W49-W52 HydrophobicContact CH2-CE3 4.34Å; W49-W52 AromaticContact CH2-CZ3 3.96Å; W49-W52 HydrophobicContact CH2-CZ3 3.96Å; W49-W52 AromaticContact CZ3-CE3 3.49Å; W49-W52 HydrophobicContact CZ3-CE3 3.49Å; W49-W52 VanDerWaalsContact CZ3-CE3 3.49Å; W49-W52 HydrophobicContact CZ3-CH2 4.48Å; W49-W52 AromaticContact CZ3-CZ3 3.43Å; W49-W52 HydrophobicContact CZ3-CZ3 3.43Å; W49-W52 VanDerWaalsContact CZ3-CZ3 3.43Å; W49-W52 PolarHBondContact O-N 3.06Å; W52-H54 VanDerWaalsContact C-N 3.33Å; W52-H54 PolarHBondContact O-N 3.13Å; W52-L55 PolarHBondContact O-N 3.28Å; W52-H56 AromaticContact CD1-CD2 3.41Å; W52-H56 VanDerWaalsContact CD1-CD2 3.41Å; W52-H56 AromaticContact CD1-NE2 3.66Å; W52-H56 AromaticContact CD2-CD2 3.95Å; W52-H56 AromaticContact CE2-CD2 3.45Å; W52-H56 VanDerWaalsContact CE2-CD2 3.45Å; W52-H56 AromaticContact CG-CD2 3.92Å; W52-H56 AromaticContact CZ2-CD2 3.99Å; W52-H56 AromaticContact NE1-CD2 3.13Å; W52-H56 PolarHBondContact NE1-CD2 3.37Å; W52-H56 AromaticContact NE1-NE2 3.38Å; W52-H56 PolarHBondContact NE1-NE2 3.14Å; W52-H56 PolarHBondContact O-CD2 3.4Å; W52-H56 PolarHBondContact O-N 3.24Å; W52-K58 HydrophobicContact CH2-CD 4.03Å; W52-K58 HydrophobicContact CH2-CG 3.66Å; W52-K58 HydrophobicContact CZ3-CB 4.26Å; W52-K58 HydrophobicContact CZ3-CD 4.43Å; W52-K58 HydrophobicContact CZ3-CG 3.7Å; W52-W73 HydrophobicContact CB-CZ2 4.11Å; W52-W73 AromaticContact CD1-NE1 3.6Å; W52-W73 AromaticContact CD2-CD1 3.53Å; W52-W73 AromaticContact CD2-NE1 3.19Å; W52-W73 AromaticContact CE2-CD1 3.75Å; W52-W73 AromaticContact CE2-NE1 3.65Å; W52-W73 AromaticContact CE3-CD1 3.64Å; W52-W73 AromaticContact CE3-NE1 3.66Å; W52-W73 HydrophobicContact CG-CZ2 4.4Å; W52-W73 AromaticContact CG-NE1 3.22Å; W52-W73 AromaticContact NE1-NE1 3.8Å; W52-N99 VanDerWaalsContact CZ2-O 3.27Å; W52-N99 WeakPolarHBondContact CZ2-O 3.41Å; W52-N99 PolarHBondContact NE1-O 3.2Å; W52-D103 HydrophobicContact CH2-CB 3.46Å; W52-D103 VanDerWaalsContact CH2-CB 3.46Å; W52-D103 WeakPolarHBondContact CH2-OD1 3.2Å; W52-D103 HydrophobicContact CZ2-CB 4.34Å; W52-D103 HydrophobicContact CZ3-CB 3.86Å
53	K	97.2	Very high	93.1	Very high	20 Å²	20	74.7 Å²	74.7	9%	0.087	38%	0.379	C	S	.	.	H	α-helix	trans	-55.9	-49.1	174.7	-79.5	-166.2	-63.1	162.6	0	110.9	D33 W49 L50 H56 Q57 K58 Y60 Y66	D33-K53 IonicContact OD1-NZ 3.24Å; D33-K53 PolarHBondContact OD1-NZ 2.96Å; D33-K53 IonicContact OD2-NZ 3.83Å; W49-K53 HydrophobicContact CD2-CD 4.46Å; W49-K53 HydrophobicContact CD2-CG 4.06Å; W49-K53 HydrophobicContact CE3-CG 4.34Å; W49-K53 HydrophobicContact CH2-CD 4.47Å; W49-K53 HydrophobicContact CH2-CG 4.08Å; W49-K53 HydrophobicContact CZ2-CD 3.7Å; W49-K53 HydrophobicContact CZ2-CG 3.75Å; W49-K53 HydrophobicContact CZ3-CG 4.34Å; W49-K53 PolarHBondContact O-N 2.85Å; L50-K53 PolarHBondContact O-N 2.96Å; K53-H56 CarbonylContact O-C 3.51Å; K53-H56 PolarHBondContact O-N 3.48Å; K53-Q57 PolarHBondContact O-N 3.25Å; K53-K58 HydrophobicContact CB-CB 4.34Å; K53-K58 HydrophobicContact CG-CB 4.34Å; K53-K58 PolarHBondContact O-N 3.31Å; K53-Y60 HydrophobicContact CD-CD2 4.45Å; K53-Y60 HydrophobicContact CD-CE2 3.99Å; K53-Y60 HydrophobicContact CG-CE2 4.26Å; K53-Y66 HydrophobicContact CD-CE2 3.98Å
54	H	95.8	Very high	94.2	Very high	145 Å²	145	78.1 Å²	78.1	67%	0.671	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-47.8	-179	-179	73.9	0	0	0	111.5	L50 Q51 W52 H56 Q57	L50-H54 WeakPolarHBondContact O-CB 3.44Å; L50-H54 PolarHBondContact O-N 3.36Å; L50-H54 VanDerWaalsContact O-N 3.07Å; Q51-H54 PolarHBondContact O-N 3.43Å; W52-H54 VanDerWaalsContact C-N 3.33Å; W52-H54 PolarHBondContact O-N 3.13Å; H54-H56 VanDerWaalsContact C-N 3.29Å; H54-H56 PolarHBondContact O-N 3.06Å; H54-Q57 PolarHBondContact O-N 3.47Å
55	L	94.8	Very high	94.6	Very high	94 Å²	94	75.5 Å²	75.5	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-39.2	179.6	-179.2	64.1	0	0	0	112.7	Y15 Q51 W52	Y15-L55 HydrophobicContact CE2-CD2 4.13Å; Q51-L55 WeakPolarHBondContact O-CB 3.44Å; Q51-L55 PolarHBondContact O-N 3.44Å; W52-L55 PolarHBondContact O-N 3.28Å
56	H	94.1	Very high	94.9	Very high	34 Å²	34	75.5 Å²	75.5	16%	0.157	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.1	-178.3	-65.3	-66.5	0	0	0	114.1	W52 K53 H54 K58 Q100	W52-H56 AromaticContact CD1-CD2 3.41Å; W52-H56 VanDerWaalsContact CD1-CD2 3.41Å; W52-H56 AromaticContact CD1-NE2 3.66Å; W52-H56 AromaticContact CD2-CD2 3.95Å; W52-H56 AromaticContact CE2-CD2 3.45Å; W52-H56 VanDerWaalsContact CE2-CD2 3.45Å; W52-H56 AromaticContact CG-CD2 3.92Å; W52-H56 AromaticContact CZ2-CD2 3.99Å; W52-H56 AromaticContact NE1-CD2 3.13Å; W52-H56 PolarHBondContact NE1-CD2 3.37Å; W52-H56 AromaticContact NE1-NE2 3.38Å; W52-H56 PolarHBondContact NE1-NE2 3.14Å; W52-H56 PolarHBondContact O-CD2 3.4Å; W52-H56 PolarHBondContact O-N 3.24Å; K53-H56 CarbonylContact O-C 3.51Å; K53-H56 PolarHBondContact O-N 3.48Å; H54-H56 VanDerWaalsContact C-N 3.29Å; H54-H56 PolarHBondContact O-N 3.06Å; H56-K58 HydrophobicContact CB-CG 3.94Å; H56-K58 PolarHBondContact O-N 3.28Å; H56-Q100 PolarHBondContact CE1-N 2.99Å
57	Q	94.6	Very high	95.2	Very high	170 Å²	170	76.2 Å²	76.2	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.8	178.5	-56.2	176.4	9.4	0	0	112.9	K53 H54	K53-Q57 PolarHBondContact O-N 3.25Å; H54-Q57 PolarHBondContact O-N 3.47Å
58	K	95.6	Very high	95.3	Very high	45 Å²	45	76.9 Å²	76.9	20%	0.196	38%	0.376	C	S	.	.			trans	-82.3	119.3	-177.2	-67.5	-77.1	-175.4	153.4	0	110.5	W52 K53 H56 Y60 Q100 D103	W52-K58 HydrophobicContact CH2-CD 4.03Å; W52-K58 HydrophobicContact CH2-CG 3.66Å; W52-K58 HydrophobicContact CZ3-CB 4.26Å; W52-K58 HydrophobicContact CZ3-CD 4.43Å; W52-K58 HydrophobicContact CZ3-CG 3.7Å; K53-K58 HydrophobicContact CB-CB 4.34Å; K53-K58 HydrophobicContact CG-CB 4.34Å; K53-K58 PolarHBondContact O-N 3.31Å; H56-K58 HydrophobicContact CB-CG 3.94Å; H56-K58 PolarHBondContact O-N 3.28Å; K58-Y60 HydrophobicContact CB-CE2 4.18Å; K58-Q100 WeakPolarHBondContact CE-O 3.4Å; K58-Q100 PolarHBondContact NZ-O 3.25Å; K58-D103 WeakPolarHBondContact CD-OD2 3.47Å; K58-D103 VanDerWaalsContact NZ-CG 3.28Å; K58-D103 IonicContact NZ-OD1 3.88Å; K58-D103 PolarHBondContact NZ-OD1 3.31Å; K58-D103 IonicContact NZ-OD2 3.95Å; K58-D103 PolarHBondContact NZ-OD2 3.01Å
59	N	94.1	Very high	95.5	Very high	124 Å²	124	75.9 Å²	75.9	66%	0.663	37%	0.37	S	S	*	.			trans	-122.8	134.1	173.8	-66.4	-33.3	0	0	0	108.7
60	Y	95.3	Very high	95.5	Very high	27 Å²	27	79.1 Å²	79.1	11%	0.106	38%	0.382	C	S	.	.			trans	-118.3	129.9	-178.9	-54.8	-67.9	0	0	0	109	W49 K53 K58 T62 E65 Y66 H69 D103	W49-Y60 AromaticContact CH2-CE2 3.69Å; W49-Y60 HydrophobicContact CH2-CE2 3.69Å; W49-Y60 AromaticContact CH2-CZ 3.9Å; W49-Y60 WeakPolarHBondContact CH2-OH 3.44Å; W49-Y60 HydrophobicContact CZ2-CD2 4.49Å; W49-Y60 AromaticContact CZ2-CE2 3.65Å; W49-Y60 HydrophobicContact CZ2-CE2 3.65Å; K53-Y60 HydrophobicContact CD-CD2 4.45Å; K53-Y60 HydrophobicContact CD-CE2 3.99Å; K53-Y60 HydrophobicContact CG-CE2 4.26Å; K58-Y60 HydrophobicContact CB-CE2 4.18Å; Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 3.22Å; Y60-E65 HydrophobicContact CD1-CG 3.86Å; Y60-E65 HydrophobicContact CG-CG 4.31Å; Y60-Y66 AromaticContact CD2-CD2 3.77Å; Y60-Y66 HydrophobicContact CD2-CD2 3.77Å; Y60-Y66 HydrophobicContact CE2-CD2 4.43Å; Y60-H69 HydrophobicContact CD1-CB 4.18Å; Y60-H69 AromaticContact CD1-CD2 3.37Å; Y60-H69 WeakPolarHBondContact CD1-CD2 3.5Å; Y60-H69 AromaticContact CD1-CG 3.85Å; Y60-H69 HydrophobicContact CE1-CB 3.54Å; Y60-H69 AromaticContact CE1-CD2 3.25Å; Y60-H69 WeakPolarHBondContact CE1-CD2 3.38Å; Y60-H69 AromaticContact CE1-CG 3.25Å; Y60-H69 AromaticContact CE1-ND1 3.85Å; Y60-H69 AromaticContact CE1-NE2 3.85Å; Y60-H69 HydrophobicContact CE2-CB 4.22Å; Y60-H69 AromaticContact CZ-CG 3.79Å; Y60-D103 WeakPolarHBondContact OH-CB 3.2Å; Y60-D103 PolarHBondContact OH-OD2 2.87Å
61	S	93	Very high	95.5	Very high	107 Å²	107	83.6 Å²	83.6	75%	0.748	40%	0.399	S	S	*	.	S	Bend	trans	-76.5	-22.7	-169.6	-57.6	0	0	0	0	112.8	E65	S61-E65 WeakPolarHBondContact CB-OE2 3.4Å; S61-E65 PolarHBondContact N-OE2 3.41Å
62	T	95.5	Very high	95.5	Very high	71 Å²	71	79.8 Å²	79.8	44%	0.436	38%	0.382	S	S	.	.	S	Bend	trans	-134.4	151.5	-177.8	70.4	0	0	0	0	111.6	Y60 K64 E65 Y66	Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 3.22Å; T62-K64 PolarHBondContact O-N 2.94Å; T62-E65 PolarHBondContact N-OE2 2.84Å; T62-E65 WeakPolarHBondContact O-CB 3.24Å; T62-E65 PolarHBondContact O-N 2.94Å; T62-E65 VanDerWaalsContact OG1-CB 3.26Å; T62-E65 WeakPolarHBondContact OG1-CB 3.06Å; T62-E65 PolarHBondContact OG1-N 2.98Å; T62-E65 VanDerWaalsContact OG1-N 3.1Å; T62-Y66 PolarHBondContact O-N 3Å
63	Y	94.6	Very high	95.5	Very high	133 Å²	133	79.3 Å²	79.3	52%	0.522	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-32.1	173.1	-176	-108.1	0	0	0	112.7	V31 N67	V31-Y63 HydrophobicContact CG1-CD2 4.11Å; Y63-N67 WeakPolarHBondContact CD1-ND2 3.31Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.48Å; Y63-N67 WeakPolarHBondContact O-CB 3.48Å; Y63-N67 PolarHBondContact O-N 3.32Å; Y63-N67 PolarHBondContact O-ND2 3.35Å; Y63-N67 PolarHBondContact OH-ND2 2.95Å
64	K	95.9	Very high	95.5	Very high	164 Å²	164	81.3 Å²	81.3	71%	0.713	39%	0.391	S	S	*	.	H	α-helix	trans	-63.7	-50.6	175.2	-178	-177.9	174.4	-173.3	0	111.2	T62 N67 E68	T62-K64 PolarHBondContact O-N 2.94Å; K64-N67 PolarHBondContact O-N 2.97Å; K64-E68 PolarHBondContact O-N 3.42Å
65	E	95.3	Very high	95.4	Very high	59 Å²	59	81.5 Å²	81.5	28%	0.276	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-47.9	176.9	178.9	-175.9	-173.3	0	0	110.8	Y60 S61 T62 N67 E68 H69	Y60-E65 HydrophobicContact CD1-CG 3.86Å; Y60-E65 HydrophobicContact CG-CG 4.31Å; S61-E65 WeakPolarHBondContact CB-OE2 3.4Å; S61-E65 PolarHBondContact N-OE2 3.41Å; T62-E65 PolarHBondContact N-OE2 2.84Å; T62-E65 WeakPolarHBondContact O-CB 3.24Å; T62-E65 PolarHBondContact O-N 2.94Å; T62-E65 VanDerWaalsContact OG1-CB 3.26Å; T62-E65 WeakPolarHBondContact OG1-CB 3.06Å; T62-E65 PolarHBondContact OG1-N 2.98Å; T62-E65 VanDerWaalsContact OG1-N 3.1Å; E65-N67 VanDerWaalsContact C-N 3.33Å; E65-N67 PolarHBondContact O-N 3.21Å; E65-E68 PolarHBondContact O-N 3.29Å; E65-E68 VanDerWaalsContact O-N 3.16Å; E65-H69 PolarHBondContact O-CD2 3.1Å; E65-H69 PolarHBondContact O-N 3.12Å
66	Y	95.9	Very high	95.4	Very high	36 Å²	36	77.2 Å²	77.2	14%	0.141	37%	0.365	C	S	.	.	H	α-helix	trans	-51.6	-50.4	175.3	176.7	-90.2	0	0	0	112.3	W49 K53 Y60 T62 H69 R70	W49-Y66 HydrophobicContact CZ2-CD2 4.41Å; W49-Y66 HydrophobicContact CZ2-CE2 4.02Å; W49-Y66 AromaticContact NE1-CE2 3.44Å; W49-Y66 AromaticContact NE1-CZ 3.27Å; W49-Y66 VanDerWaalsContact NE1-CZ 3.27Å; W49-Y66 PolarHBondContact NE1-OH 3.16Å; K53-Y66 HydrophobicContact CD-CE2 3.98Å; Y60-Y66 AromaticContact CD2-CD2 3.77Å; Y60-Y66 HydrophobicContact CD2-CD2 3.77Å; Y60-Y66 HydrophobicContact CE2-CD2 4.43Å; T62-Y66 PolarHBondContact O-N 3Å; Y66-H69 PolarHBondContact O-N 2.9Å; Y66-R70 VanDerWaalsContact O-CB 3.26Å; Y66-R70 WeakPolarHBondContact O-CB 3.44Å; Y66-R70 PolarHBondContact O-N 2.97Å
67	N	96	Very high	95.5	Very high	54 Å²	54	76 Å²	76	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-35.7	-178.8	-79.1	-25	0	0	0	112.9	Y63 K64 E65 K71	Y63-N67 WeakPolarHBondContact CD1-ND2 3.31Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.48Å; Y63-N67 WeakPolarHBondContact O-CB 3.48Å; Y63-N67 PolarHBondContact O-N 3.32Å; Y63-N67 PolarHBondContact O-ND2 3.35Å; Y63-N67 PolarHBondContact OH-ND2 2.95Å; K64-N67 PolarHBondContact O-N 2.97Å; E65-N67 VanDerWaalsContact C-N 3.33Å; E65-N67 PolarHBondContact O-N 3.21Å; N67-K71 VanDerWaalsContact O-CB 3.27Å; N67-K71 WeakPolarHBondContact O-CB 3.26Å; N67-K71 PolarHBondContact O-N 2.8Å
68	E	96.1	Very high	95.5	Very high	98 Å²	98	73 Å²	73	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-49.4	175.7	-176.4	174.1	168.4	0	0	111.2	K64 E65 K71 N72	K64-E68 PolarHBondContact O-N 3.42Å; E65-E68 PolarHBondContact O-N 3.29Å; E65-E68 VanDerWaalsContact O-N 3.16Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 3.39Å; E68-N72 PolarHBondContact O-N 3.21Å; E68-N72 PolarHBondContact O-ND2 3.37Å
69	H	96.9	Very high	95.5	Very high	31 Å²	31	72 Å²	72	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-42.6	177.1	-80.8	-69.2	0	0	0	112.4	W49 Y60 E65 Y66 K71 N72 W73 D103	W49-H69 HydrophobicContact CH2-CB 4.24Å; Y60-H69 HydrophobicContact CD1-CB 4.18Å; Y60-H69 AromaticContact CD1-CD2 3.37Å; Y60-H69 WeakPolarHBondContact CD1-CD2 3.5Å; Y60-H69 AromaticContact CD1-CG 3.85Å; Y60-H69 HydrophobicContact CE1-CB 3.54Å; Y60-H69 AromaticContact CE1-CD2 3.25Å; Y60-H69 WeakPolarHBondContact CE1-CD2 3.38Å; Y60-H69 AromaticContact CE1-CG 3.25Å; Y60-H69 AromaticContact CE1-ND1 3.85Å; Y60-H69 AromaticContact CE1-NE2 3.85Å; Y60-H69 HydrophobicContact CE2-CB 4.22Å; Y60-H69 AromaticContact CZ-CG 3.79Å; E65-H69 PolarHBondContact O-CD2 3.1Å; E65-H69 PolarHBondContact O-N 3.12Å; Y66-H69 PolarHBondContact O-N 2.9Å; H69-K71 VanDerWaalsContact C-N 3.33Å; H69-K71 PolarHBondContact O-N 3.38Å; H69-N72 PolarHBondContact O-N 3.14Å; H69-W73 WeakPolarHBondContact O-CB 3.19Å; H69-W73 PolarHBondContact O-N 2.9Å; H69-D103 HydrophobicContact CB-CB 3.94Å; H69-D103 IonicContact CE1-OD2 3.57Å; H69-D103 IonicContact CG-OD2 3.94Å; H69-D103 PolarHBondContact ND1-O 2.99Å; H69-D103 IonicContact ND1-OD2 2.75Å; H69-D103 PolarHBondContact ND1-OD2 3.32Å
70	R	96.7	Very high	95.6	Very high	69 Å²	69	66.6 Å²	66.6	26%	0.26	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-39.5	174.8	-174.8	169.3	170.8	-109.1	-2.6	111.9	D46 W49 Y66 W73 L74	D46-R70 IonicContact OD1-CZ 2.68Å; D46-R70 IonicContact OD1-NE 2.74Å; D46-R70 IonicContact OD1-NH2 3.14Å; D46-R70 PolarHBondContact OD1-NH2 3.11Å; W49-R70 HydrophobicContact CD2-CB 4.4Å; W49-R70 HydrophobicContact CD2-CG 4.08Å; W49-R70 HydrophobicContact CG-CG 4.31Å; W49-R70 HydrophobicContact CH2-CB 4.13Å; W49-R70 HydrophobicContact CZ2-CB 3.72Å; W49-R70 HydrophobicContact CZ2-CG 4.28Å; Y66-R70 VanDerWaalsContact O-CB 3.26Å; Y66-R70 WeakPolarHBondContact O-CB 3.44Å; Y66-R70 PolarHBondContact O-N 2.97Å; R70-W73 PolarHBondContact O-N 3.16Å; R70-L74 HydrophobicContact CG-CD1 4.31Å; R70-L74 WeakPolarHBondContact O-CG 3.38Å; R70-L74 PolarHBondContact O-N 3.1Å
71	K	95.9	Very high	95.6	Very high	156 Å²	156	70 Å²	70	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-45.8	175.5	-178.1	-177.1	177	-175.8	0	111.7	N67 E68 H69 W73 L74 Y75	N67-K71 VanDerWaalsContact O-CB 3.27Å; N67-K71 WeakPolarHBondContact O-CB 3.26Å; N67-K71 PolarHBondContact O-N 2.8Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 3.39Å; H69-K71 VanDerWaalsContact C-N 3.33Å; H69-K71 PolarHBondContact O-N 3.38Å; K71-W73 VanDerWaalsContact C-N 3.31Å; K71-W73 PolarHBondContact O-N 2.96Å; K71-L74 PolarHBondContact O-N 2.82Å; K71-Y75 PolarHBondContact O-N 3.13Å; K71-Y75 VanDerWaalsContact O-N 3.1Å
72	N	95.9	Very high	95.8	Very high	29 Å²	29	69.9 Å²	69.9	16%	0.155	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-41.6	175.6	-66.5	-26.9	0	0	0	111.2	E68 H69 Y75 N76 D103	E68-N72 PolarHBondContact O-N 3.21Å; E68-N72 PolarHBondContact O-ND2 3.37Å; H69-N72 PolarHBondContact O-N 3.14Å; N72-Y75 WeakPolarHBondContact O-CB 3.33Å; N72-Y75 PolarHBondContact O-N 2.78Å; N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.22Å; N72-N76 PolarHBondContact O-ND2 3.11Å; N72-D103 VanDerWaalsContact CB-O 3.28Å; N72-D103 WeakPolarHBondContact CB-O 3.38Å; N72-D103 PolarHBondContact ND2-O 3.11Å
73	W	97	Very high	95.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-46.6	177.4	-174.9	98.2	0	0	0	113	L48 W49 W52 H69 R70 K71 Y75 N76 L77 L98 S102	L48-W73 HydrophobicContact CB-CH2 3.92Å; L48-W73 HydrophobicContact CB-CZ2 4.45Å; L48-W73 HydrophobicContact CD2-CH2 3.83Å; L48-W73 HydrophobicContact CD2-CZ2 4.14Å; L48-W73 HydrophobicContact CG-CH2 3.68Å; L48-W73 HydrophobicContact CG-CZ2 3.82Å; W49-W73 HydrophobicContact CB-CE3 4.23Å; W49-W73 HydrophobicContact CB-CH2 3.97Å; W49-W73 HydrophobicContact CB-CZ2 4.42Å; W49-W73 HydrophobicContact CB-CZ3 3.87Å; W49-W73 HydrophobicContact CE3-CB 3.78Å; W49-W73 AromaticContact CE3-CD1 3.71Å; W49-W73 AromaticContact CE3-CD2 3.51Å; W49-W73 HydrophobicContact CE3-CD2 3.51Å; W49-W73 AromaticContact CE3-CE2 3.9Å; W49-W73 AromaticContact CE3-CE3 3.95Å; W49-W73 HydrophobicContact CE3-CE3 3.95Å; W49-W73 AromaticContact CE3-CG 3.41Å; W49-W73 HydrophobicContact CE3-CG 3.41Å; W49-W73 VanDerWaalsContact CE3-CG 3.41Å; W49-W73 AromaticContact CE3-NE1 4Å; W49-W73 HydrophobicContact CH2-CB 4.41Å; W49-W73 HydrophobicContact CZ3-CB 3.44Å; W49-W73 VanDerWaalsContact CZ3-CB 3.44Å; W49-W73 AromaticContact CZ3-CD1 3.63Å; W49-W73 HydrophobicContact CZ3-CD2 4.08Å; W49-W73 AromaticContact CZ3-CG 3.45Å; W49-W73 HydrophobicContact CZ3-CG 3.45Å; W49-W73 VanDerWaalsContact CZ3-CG 3.45Å; W52-W73 HydrophobicContact CB-CZ2 4.11Å; W52-W73 AromaticContact CD1-NE1 3.6Å; W52-W73 AromaticContact CD2-CD1 3.53Å; W52-W73 AromaticContact CD2-NE1 3.19Å; W52-W73 AromaticContact CE2-CD1 3.75Å; W52-W73 AromaticContact CE2-NE1 3.65Å; W52-W73 AromaticContact CE3-CD1 3.64Å; W52-W73 AromaticContact CE3-NE1 3.66Å; W52-W73 HydrophobicContact CG-CZ2 4.4Å; W52-W73 AromaticContact CG-NE1 3.22Å; W52-W73 AromaticContact NE1-NE1 3.8Å; H69-W73 WeakPolarHBondContact O-CB 3.19Å; H69-W73 PolarHBondContact O-N 2.9Å; R70-W73 PolarHBondContact O-N 3.16Å; K71-W73 VanDerWaalsContact C-N 3.31Å; K71-W73 PolarHBondContact O-N 2.96Å; W73-Y75 VanDerWaalsContact C-N 3.33Å; W73-Y75 PolarHBondContact O-N 2.98Å; W73-N76 PolarHBondContact O-N 2.59Å; W73-L77 HydrophobicContact CE3-CB 4.5Å; W73-L77 HydrophobicContact CE3-CD2 4.36Å; W73-L77 HydrophobicContact CH2-CD2 3.57Å; W73-L77 HydrophobicContact CZ2-CD2 4.33Å; W73-L77 HydrophobicContact CZ3-CB 4.49Å; W73-L77 HydrophobicContact CZ3-CD2 3.58Å; W73-L77 WeakPolarHBondContact O-CB 3.41Å; W73-L77 PolarHBondContact O-N 2.66Å; W73-L98 HydrophobicContact CZ2-CD1 3.61Å; W73-L98 HydrophobicContact CZ2-CD2 4.35Å; W73-S102 WeakPolarHBondContact CA-O 3.28Å
74	L	96	Very high	96	Very high	61 Å²	61	62.7 Å²	62.7	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-41.9	176	-73.9	168.8	0	0	0	111.8	D45 R70 K71 L77 H78	D45-L74 HydrophobicContact CB-CD2 4.12Å; R70-L74 HydrophobicContact CG-CD1 4.31Å; R70-L74 WeakPolarHBondContact O-CG 3.38Å; R70-L74 PolarHBondContact O-N 3.1Å; K71-L74 PolarHBondContact O-N 2.82Å; L74-L77 PolarHBondContact O-N 3.01Å; L74-H78 PolarHBondContact O-N 2.83Å
75	Y	94.5	Very high	96.1	Very high	150 Å²	150	59.2 Å²	59.2	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-60.6	-48.3	174.8	175.8	-92.1	0	0	0	111.7	K71 N72 W73 H78 S79	K71-Y75 PolarHBondContact O-N 3.13Å; K71-Y75 VanDerWaalsContact O-N 3.1Å; N72-Y75 WeakPolarHBondContact O-CB 3.33Å; N72-Y75 PolarHBondContact O-N 2.78Å; W73-Y75 VanDerWaalsContact C-N 3.33Å; W73-Y75 PolarHBondContact O-N 2.98Å; Y75-H78 PolarHBondContact O-N 3.15Å; Y75-S79 PolarHBondContact O-N 3.05Å; Y75-S79 VanDerWaalsContact O-N 3.11Å
76	N	94.9	Very high	96.2	Very high	4 Å²	4	60 Å²	60	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-40.6	179.4	-74.7	-34	0	0	0	111.6	N72 W73 S79 I80 S102 L104 Q284 R288	N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.22Å; N72-N76 PolarHBondContact O-ND2 3.11Å; W73-N76 PolarHBondContact O-N 2.59Å; N76-S79 PolarHBondContact O-N 2.6Å; N76-I80 WeakPolarHBondContact O-CD1 3.44Å; N76-I80 VanDerWaalsContact O-CG1 3.23Å; N76-I80 WeakPolarHBondContact O-CG1 3.33Å; N76-I80 PolarHBondContact O-N 3.12Å; N76-S102 PolarHBondContact ND2-O 3.03Å; N76-L104 PolarHBondContact ND2-O 2.86Å; N76-L104 VanDerWaalsContact ND2-O 3.1Å; N76-Q284 PolarHBondContact OD1-NE2 3.18Å; N76-R288 PolarHBondContact O-NH1 3.45Å
77	L	95.5	Very high	96.3	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-45	175	176.7	63.2	0	0	0	111.6	D45 L48 W73 L74 S79 I80 K81 L98	D45-L77 HydrophobicContact CB-CD2 4.45Å; L48-L77 HydrophobicContact CD2-CD1 4.03Å; L48-L77 HydrophobicContact CD2-CD2 3.92Å; W73-L77 HydrophobicContact CE3-CB 4.5Å; W73-L77 HydrophobicContact CE3-CD2 4.36Å; W73-L77 HydrophobicContact CH2-CD2 3.57Å; W73-L77 HydrophobicContact CZ2-CD2 4.33Å; W73-L77 HydrophobicContact CZ3-CB 4.49Å; W73-L77 HydrophobicContact CZ3-CD2 3.58Å; W73-L77 WeakPolarHBondContact O-CB 3.41Å; W73-L77 PolarHBondContact O-N 2.66Å; L74-L77 PolarHBondContact O-N 3.01Å; L77-S79 PolarHBondContact O-N 2.05Å; L77-I80 WeakPolarHBondContact O-CB 3.1Å; L77-I80 PolarHBondContact O-N 3.29Å; L77-K81 HydrophobicContact CD1-CG 4.43Å; L77-K81 HydrophobicContact CG-CD 4.33Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 2.91Å; L77-L98 HydrophobicContact CB-CD2 4.49Å; L77-L98 HydrophobicContact CD1-CD1 4.19Å; L77-L98 HydrophobicContact CD1-CD2 4.36Å; L77-L98 HydrophobicContact CD1-CG 4.37Å
78	H	95	Very high	96.3	Very high	107 Å²	107	64.5 Å²	64.5	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-46.6	177.5	-175.8	76.2	0	0	0	111.6	L74 Y75 I80 K81 Q82	L74-H78 PolarHBondContact O-N 2.83Å; Y75-H78 PolarHBondContact O-N 3.15Å; H78-I80 VanDerWaalsContact C-N 3.29Å; H78-I80 PolarHBondContact O-N 3.27Å; H78-K81 PolarHBondContact O-N 3.43Å; H78-Q82 PolarHBondContact NE2-NE2 3.17Å; H78-Q82 WeakPolarHBondContact O-CG 3.24Å; H78-Q82 PolarHBondContact O-N 3.49Å
79	S	94.8	Very high	96.4	Very high	24 Å²	24	66.2 Å²	66.2	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-34.3	176.2	167.5	0	0	0	0	112.4	Y75 N76 L77 Q82 H83 R288	Y75-S79 PolarHBondContact O-N 3.05Å; Y75-S79 VanDerWaalsContact O-N 3.11Å; N76-S79 PolarHBondContact O-N 2.6Å; L77-S79 PolarHBondContact O-N 2.05Å; S79-Q82 PolarHBondContact O-N 2.77Å; S79-H83 WeakPolarHBondContact O-CB 3.12Å; S79-H83 PolarHBondContact O-N 3.2Å; S79-R288 PolarHBondContact OG-NH1 3.18Å; S79-R288 PolarHBondContact OG-NH2 3.47Å; S79-R288 VanDerWaalsContact OG-NH2 3.13Å
80	I	96.1	Very high	96.4	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.046	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-49.2	172.3	-72.8	158.5	0	0	0	111.3	N76 L77 H78 Q82 H83 N84 I96 L98	N76-I80 WeakPolarHBondContact O-CD1 3.44Å; N76-I80 VanDerWaalsContact O-CG1 3.23Å; N76-I80 WeakPolarHBondContact O-CG1 3.33Å; N76-I80 PolarHBondContact O-N 3.12Å; L77-I80 WeakPolarHBondContact O-CB 3.1Å; L77-I80 PolarHBondContact O-N 3.29Å; H78-I80 VanDerWaalsContact C-N 3.29Å; H78-I80 PolarHBondContact O-N 3.27Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 2.87Å; I80-H83 PolarHBondContact O-N 2.99Å; I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 PolarHBondContact O-N 2.79Å; I80-I96 HydrophobicContact CB-CD1 4.36Å; I80-I96 HydrophobicContact CB-CG1 4.22Å; I80-I96 HydrophobicContact CG1-CB 4.48Å; I80-I96 HydrophobicContact CG1-CD1 3.84Å; I80-I96 HydrophobicContact CG1-CG1 3.85Å; I80-I96 HydrophobicContact CG2-CG1 4.36Å; I80-I96 WeakPolarHBondContact CG2-O 3.34Å; I80-L98 HydrophobicContact CD1-CD2 3.72Å; I80-L98 HydrophobicContact CD1-CG 4.18Å
81	K	95.8	Very high	96.4	Very high	99 Å²	99	69.3 Å²	69.3	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-57.2	-41.5	177.8	-71.3	173	179.5	172.8	0	111.1	D45 L77 H78 L85	D45-K81 IonicContact OD1-NZ 2.91Å; D45-K81 PolarHBondContact OD1-NZ 2.88Å; D45-K81 IonicContact OD2-NZ 2.99Å; D45-K81 PolarHBondContact OD2-NZ 3.38Å; D45-K81 VanDerWaalsContact OD2-NZ 3.14Å; L77-K81 HydrophobicContact CD1-CG 4.43Å; L77-K81 HydrophobicContact CG-CD 4.33Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 2.91Å; H78-K81 PolarHBondContact O-N 3.43Å; K81-L85 PolarHBondContact O-N 3Å
82	Q	96.6	Very high	96.4	Very high	105 Å²	105	64.4 Å²	64.4	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-67.5	-48.2	177.9	-71.4	177.7	-32.5	0	0	113.2	H78 S79 I80 N84 L85 M86	H78-Q82 PolarHBondContact NE2-NE2 3.17Å; H78-Q82 WeakPolarHBondContact O-CG 3.24Å; H78-Q82 PolarHBondContact O-N 3.49Å; S79-Q82 PolarHBondContact O-N 2.77Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 2.87Å; Q82-N84 PolarHBondContact O-N 2.86Å; Q82-L85 WeakPolarHBondContact O-CB 3.15Å; Q82-L85 PolarHBondContact O-N 2.83Å; Q82-M86 WeakPolarHBondContact O-CG 3.46Å; Q82-M86 PolarHBondContact O-N 2.94Å
83	H	97.5	Very high	96.5	Very high	13 Å²	13	66 Å²	66	6%	0.06	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-45.6	179.3	-177.9	96.9	0	0	0	111.6	S79 I80 L85 M86 H87 Y94 I96	S79-H83 WeakPolarHBondContact O-CB 3.12Å; S79-H83 PolarHBondContact O-N 3.2Å; I80-H83 PolarHBondContact O-N 2.99Å; H83-L85 VanDerWaalsContact C-N 3.27Å; H83-L85 PolarHBondContact O-N 3.48Å; H83-M86 WeakPolarHBondContact O-CA 3.45Å; H83-M86 WeakPolarHBondContact O-CB 3.24Å; H83-M86 PolarHBondContact O-N 2.83Å; H83-H87 PolarHBondContact O-N 3.22Å; H83-Y94 AromaticContact CE1-CE1 3.83Å; H83-Y94 AromaticContact CE1-CE2 3.61Å; H83-Y94 AromaticContact CE1-CZ 3.37Å; H83-Y94 PolarHBondContact CE1-OH 3.45Å; H83-Y94 AromaticContact NE2-CD2 3.84Å; H83-Y94 AromaticContact NE2-CE2 3.62Å; H83-Y94 AromaticContact NE2-CZ 3.79Å; H83-Y94 PolarHBondContact NE2-O 2.92Å; H83-I96 HydrophobicContact CB-CD1 3.5Å; H83-I96 HydrophobicContact CB-CG1 3.67Å
84	N	98	Very high	96.6	Very high	39 Å²	39	66.1 Å²	66.1	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-67.7	-29.3	-178.3	-68.2	-7.5	0	0	0	112.1	I80 Q82 M86 H87 D88 T95 I96	I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 PolarHBondContact O-N 2.79Å; Q82-N84 PolarHBondContact O-N 2.86Å; N84-M86 VanDerWaalsContact C-N 3.28Å; N84-M86 PolarHBondContact O-N 2.92Å; N84-H87 WeakPolarHBondContact O-CB 3.01Å; N84-H87 PolarHBondContact O-N 3.34Å; N84-D88 PolarHBondContact O-N 3.33Å; N84-T95 WeakPolarHBondContact OD1-CA 3.45Å; N84-T95 WeakPolarHBondContact OD1-CB 3.48Å; N84-I96 PolarHBondContact ND2-O 3.1Å; N84-I96 PolarHBondContact OD1-N 3.07Å; N84-I96 PolarHBondContact OD1-O 3.29Å
85	L	97.8	Very high	96.7	Very high	91 Å²	91	64.2 Å²	64.2	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-32.2	169.4	-177.9	63.3	0	0	0	112.6	K81 Q82 H83 K89	K81-L85 PolarHBondContact O-N 3Å; Q82-L85 WeakPolarHBondContact O-CB 3.15Å; Q82-L85 PolarHBondContact O-N 2.83Å; H83-L85 VanDerWaalsContact C-N 3.27Å; H83-L85 PolarHBondContact O-N 3.48Å; L85-K89 VanDerWaalsContact O-CG 3.32Å; L85-K89 WeakPolarHBondContact O-CG 3.4Å; L85-K89 PolarHBondContact O-N 2.75Å
86	M	97.3	Very high	96.8	Very high	76 Å²	76	57.1 Å²	57.1	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-72.8	-40.6	174.9	-61.2	-62.9	-75	0	0	111.1	Q82 H83 N84 K89 G90 L91 E92	Q82-M86 WeakPolarHBondContact O-CG 3.46Å; Q82-M86 PolarHBondContact O-N 2.94Å; H83-M86 WeakPolarHBondContact O-CA 3.45Å; H83-M86 WeakPolarHBondContact O-CB 3.24Å; H83-M86 PolarHBondContact O-N 2.83Å; N84-M86 VanDerWaalsContact C-N 3.28Å; N84-M86 PolarHBondContact O-N 2.92Å; M86-K89 PolarHBondContact O-N 2.85Å; M86-G90 PolarHBondContact O-N 3.32Å; M86-L91 HydrophobicContact CB-CB 4.27Å; M86-L91 HydrophobicContact CE-CB 4Å; M86-L91 HydrophobicContact CE-CD1 3.31Å; M86-L91 HydrophobicContact CE-CG 4.28Å; M86-L91 WeakPolarHBondContact O-CB 3.25Å; M86-L91 PolarHBondContact O-N 2.82Å; M86-L91 HydrophobicContact SD-CD1 3.94Å; M86-E92 HydrophobicContact CB-CG 3.96Å
87	H	97.7	Very high	96.9	Very high	60 Å²	60	57.4 Å²	57.4	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-47.4	171	170.7	-85.2	0	0	0	111.9	H83 N84 K89 G90 E92 T95	H83-H87 PolarHBondContact O-N 3.22Å; N84-H87 WeakPolarHBondContact O-CB 3.01Å; N84-H87 PolarHBondContact O-N 3.34Å; H87-K89 PolarHBondContact O-N 3.49Å; H87-K89 VanDerWaalsContact O-N 3.12Å; H87-G90 WeakPolarHBondContact O-CA 3.33Å; H87-G90 PolarHBondContact O-N 2.98Å; H87-E92 HydrophobicContact CB-CB 4.24Å; H87-E92 PolarHBondContact CD2-O 2.81Å; H87-T95 HydrophobicContact CB-CG2 4.33Å
88	D	97.4	Very high	96.9	Very high	125 Å²	125	58.9 Å²	58.9	67%	0.668	31%	0.31	S	S	*	.	H	α-helix	trans	-62.4	-22.7	179.5	-68	-11.8	0	0	0	113	N84	N84-D88 PolarHBondContact O-N 3.33Å
89	K	97.6	Very high	96.9	Very high	133 Å²	133	54 Å²	54	58%	0.578	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	2.2	173.2	-68.6	173.7	-177.5	178	0	113.6	L85 M86 H87 L91	L85-K89 VanDerWaalsContact O-CG 3.32Å; L85-K89 WeakPolarHBondContact O-CG 3.4Å; L85-K89 PolarHBondContact O-N 2.75Å; M86-K89 PolarHBondContact O-N 2.85Å; H87-K89 PolarHBondContact O-N 3.49Å; H87-K89 VanDerWaalsContact O-N 3.12Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 HydrophobicContact CB-CD1 4.08Å; K89-L91 HydrophobicContact CB-CG 4.11Å; K89-L91 HydrophobicContact CD-CD1 4.46Å; K89-L91 PolarHBondContact O-N 2.91Å
90	G	96.1	Very high	96.9	Very high	64 Å²	64	54.4 Å²	54.4	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	17.4	-177.1	0	0	0	0	0	114.5	M86 H87	M86-G90 PolarHBondContact O-N 3.32Å; H87-G90 WeakPolarHBondContact O-CA 3.33Å; H87-G90 PolarHBondContact O-N 2.98Å
91	L	96.5	Very high	96.9	Very high	101 Å²	101	54.4 Å²	54.4	53%	0.529	29%	0.286	S	S	.	.	S	Bend	trans	-90	-17.7	-178.7	-60.8	173.1	0	0	0	112.6	M86 K89	M86-L91 HydrophobicContact CB-CB 4.27Å; M86-L91 HydrophobicContact CE-CB 4Å; M86-L91 HydrophobicContact CE-CD1 3.31Å; M86-L91 HydrophobicContact CE-CG 4.28Å; M86-L91 WeakPolarHBondContact O-CB 3.25Å; M86-L91 PolarHBondContact O-N 2.82Å; M86-L91 HydrophobicContact SD-CD1 3.94Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 HydrophobicContact CB-CD1 4.08Å; K89-L91 HydrophobicContact CB-CG 4.11Å; K89-L91 HydrophobicContact CD-CD1 4.46Å; K89-L91 PolarHBondContact O-N 2.91Å
92	E	96.8	Very high	96.9	Very high	54 Å²	54	49.7 Å²	49.7	25%	0.252	27%	0.266	S	S	.	.			trans	-127.8	145.7	174.3	-68.1	-64.3	172.1	0	0	110.5	M86 H87	M86-E92 HydrophobicContact CB-CG 3.96Å; H87-E92 HydrophobicContact CB-CB 4.24Å; H87-E92 PolarHBondContact CD2-O 2.81Å
93	L	97.6	Very high	96.9	Very high	63 Å²	63	44.8 Å²	44.8	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	-90.3	-2.2	-177.6	-61.5	-177	0	0	0	114	I293 V319	L93-I293 HydrophobicContact CB-CB 4.4Å; L93-I293 WeakPolarHBondContact CB-O 3.08Å; L93-I293 PolarHBondContact O-N 3.46Å; L93-V319 HydrophobicContact CD1-CG1 3.96Å; L93-V319 HydrophobicContact CD1-CG2 4.13Å
94	Y	98.4	Very high	96.7	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.3	-175.5	71.3	-79.8	0	0	0	111	H83 I96 Q285 Y289 S291 Y294 Q295	H83-Y94 AromaticContact CE1-CE1 3.83Å; H83-Y94 AromaticContact CE1-CE2 3.61Å; H83-Y94 AromaticContact CE1-CZ 3.37Å; H83-Y94 PolarHBondContact CE1-OH 3.45Å; H83-Y94 AromaticContact NE2-CD2 3.84Å; H83-Y94 AromaticContact NE2-CE2 3.62Å; H83-Y94 AromaticContact NE2-CZ 3.79Å; H83-Y94 PolarHBondContact NE2-O 2.92Å; Y94-I96 HydrophobicContact CD2-CG2 4.02Å; Y94-I96 HydrophobicContact CE2-CG2 3.57Å; Y94-Q285 PolarHBondContact OH-OE1 3.36Å; Y94-Y289 AromaticContact CD2-CD2 3.97Å; Y94-Y289 HydrophobicContact CD2-CD2 3.97Å; Y94-Y289 HydrophobicContact CG-CD2 4.5Å; Y94-S291 CarbonylContact C-O 3.56Å; Y94-S291 WeakPolarHBondContact CA-O 3.49Å; Y94-S291 VanDerWaalsContact CB-O 3.25Å; Y94-S291 WeakPolarHBondContact CB-O 3.22Å; Y94-Y294 AromaticContact CD2-CD2 4Å; Y94-Y294 HydrophobicContact CD2-CD2 4Å; Y94-Y294 HydrophobicContact CE1-CD2 4.22Å; Y94-Y294 AromaticContact CE2-CD2 3.65Å; Y94-Y294 HydrophobicContact CE2-CD2 3.65Å; Y94-Y294 AromaticContact CE2-CE2 3.94Å; Y94-Y294 HydrophobicContact CE2-CE2 3.94Å; Y94-Y294 HydrophobicContact CG-CD2 4.4Å; Y94-Y294 AromaticContact CZ-CD2 3.77Å; Y94-Y294 AromaticContact CZ-CE2 3.85Å; Y94-Q295 HydrophobicContact CD1-CG 4.34Å; Y94-Q295 HydrophobicContact CE1-CG 4.19Å; Y94-Q295 VanDerWaalsContact CE1-O 3.28Å; Y94-Q295 WeakPolarHBondContact CE1-O 3.28Å
95	T	98.4	Very high	96.5	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.1	171.5	68.6	0	0	0	0	110.5	N84 H87 K290 S291	N84-T95 WeakPolarHBondContact OD1-CA 3.45Å; N84-T95 WeakPolarHBondContact OD1-CB 3.48Å; H87-T95 HydrophobicContact CB-CG2 4.33Å; T95-K290 PolarHBondContact O-N 2.93Å; T95-S291 PolarHBondContact N-O 3.43Å; T95-S291 PolarHBondContact O-N 3.02Å; T95-S291 PolarHBondContact OG1-N 2.86Å; T95-S291 PolarHBondContact OG1-OG 2.74Å
96	I	97.8	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	158.2	166.6	60.9	174.1	0	0	0	109.5	I80 H83 N84 Y94 R288	I80-I96 HydrophobicContact CB-CD1 4.36Å; I80-I96 HydrophobicContact CB-CG1 4.22Å; I80-I96 HydrophobicContact CG1-CB 4.48Å; I80-I96 HydrophobicContact CG1-CD1 3.84Å; I80-I96 HydrophobicContact CG1-CG1 3.85Å; I80-I96 HydrophobicContact CG2-CG1 4.36Å; I80-I96 WeakPolarHBondContact CG2-O 3.34Å; H83-I96 HydrophobicContact CB-CD1 3.5Å; H83-I96 HydrophobicContact CB-CG1 3.67Å; N84-I96 PolarHBondContact ND2-O 3.1Å; N84-I96 PolarHBondContact OD1-N 3.07Å; N84-I96 PolarHBondContact OD1-O 3.29Å; Y94-I96 HydrophobicContact CD2-CG2 4.02Å; Y94-I96 HydrophobicContact CE2-CG2 3.57Å; I96-R288 CarbonylContact C-O 3.52Å; I96-R288 WeakPolarHBondContact CA-O 3.33Å; I96-R288 HydrophobicContact CB-CB 4.02Å; I96-R288 VanDerWaalsContact CB-O 3.27Å; I96-R288 WeakPolarHBondContact CB-O 3.23Å; I96-R288 HydrophobicContact CG2-CB 4.36Å
97	G	96.6	Very high	95.9	Very high	11 Å²	11	45 Å²	45	11%	0.113	25%	0.247	C	C	.	.			trans	-152.9	167.4	-173.7	0	0	0	0	0	112.9	R288	G97-R288 PolarHBondContact N-O 3.42Å
98	L	95.6	Very high	95.5	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.204	25%	0.249	C	C	.	.			trans	-67.7	133.4	170.4	-66	176.5	0	0	0	109.6	L48 W73 L77 I80 S102	L48-L98 HydrophobicContact CD2-CD1 4.24Å; L48-L98 HydrophobicContact CG-CD1 4.35Å; W73-L98 HydrophobicContact CZ2-CD1 3.61Å; W73-L98 HydrophobicContact CZ2-CD2 4.35Å; L77-L98 HydrophobicContact CB-CD2 4.49Å; L77-L98 HydrophobicContact CD1-CD1 4.19Å; L77-L98 HydrophobicContact CD1-CD2 4.36Å; L77-L98 HydrophobicContact CD1-CG 4.37Å; I80-L98 HydrophobicContact CD1-CD2 3.72Å; I80-L98 HydrophobicContact CD1-CG 4.18Å; L98-S102 WeakPolarHBondContact CA-OG 3.46Å
99	N	95.5	Very high	95.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	22%	0.218	C	C	.	.			trans	-142.7	-172.1	170.9	65.1	38.7	0	0	0	110	W52 F101 S102 M287	W52-N99 VanDerWaalsContact CZ2-O 3.27Å; W52-N99 WeakPolarHBondContact CZ2-O 3.41Å; W52-N99 PolarHBondContact NE1-O 3.2Å; N99-F101 PolarHBondContact O-N 3.16Å; N99-F101 WeakPolarHBondContact OD1-CB 3.27Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.45Å; N99-F101 PolarHBondContact OD1-N 3.1Å; N99-S102 PolarHBondContact N-OG 3.31Å; N99-S102 WeakPolarHBondContact O-CB 3.34Å; N99-S102 PolarHBondContact O-N 3.2Å; N99-S102 VanDerWaalsContact O-N 3.1Å; N99-S102 PolarHBondContact O-OG 3.24Å; N99-M287 PolarHBondContact ND2-O 3.02Å
100	Q	94.5	Very high	94.9	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.154	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13	-175.7	69.9	-86.7	16.8	0	0	115.4	H56 K58 W328 S331	H56-Q100 PolarHBondContact CE1-N 2.99Å; K58-Q100 WeakPolarHBondContact CE-O 3.4Å; K58-Q100 PolarHBondContact NZ-O 3.25Å; Q100-W328 PolarHBondContact NE2-O 3.1Å; Q100-S331 PolarHBondContact OE1-OG 3.3Å
101	F	95.1	Very high	94.5	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.044	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-0.2	179.9	-49.3	-63.5	0	0	0	113	N99 D103 L104 I109 Y113 M287 W328	N99-F101 PolarHBondContact O-N 3.16Å; N99-F101 WeakPolarHBondContact OD1-CB 3.27Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.45Å; N99-F101 PolarHBondContact OD1-N 3.1Å; F101-D103 PolarHBondContact O-N 3.33Å; F101-D103 VanDerWaalsContact O-N 3.16Å; F101-L104 HydrophobicContact CB-CD1 4.36Å; F101-L104 HydrophobicContact CD1-CD1 4.14Å; F101-L104 WeakPolarHBondContact O-CB 3.25Å; F101-L104 PolarHBondContact O-N 2.96Å; F101-I109 HydrophobicContact CB-CD1 4.4Å; F101-Y113 HydrophobicContact CD1-CE2 4.15Å; F101-Y113 HydrophobicContact CE1-CD1 4.16Å; F101-Y113 AromaticContact CE1-CE1 3.67Å; F101-Y113 HydrophobicContact CE1-CE1 3.67Å; F101-Y113 HydrophobicContact CE1-CE2 4.09Å; F101-Y113 AromaticContact CE1-CZ 3.63Å; F101-Y113 HydrophobicContact CZ-CE1 4.44Å; F101-M287 HydrophobicContact CB-CE 4.19Å; F101-M287 HydrophobicContact CD1-CE 4.1Å; F101-M287 HydrophobicContact CD2-CE 3.55Å; F101-M287 HydrophobicContact CE1-CE 4.35Å; F101-M287 HydrophobicContact CE2-CE 3.82Å; F101-M287 HydrophobicContact CG-CE 3.68Å; F101-M287 HydrophobicContact CZ-CE 4.21Å; F101-W328 HydrophobicContact CE2-CB 3.9Å; F101-W328 HydrophobicContact CE2-CD2 4.01Å; F101-W328 AromaticContact CE2-CE3 3.94Å; F101-W328 HydrophobicContact CE2-CE3 3.94Å; F101-W328 HydrophobicContact CE2-CG 4Å; F101-W328 HydrophobicContact CZ-CB 3.83Å; F101-W328 HydrophobicContact CZ-CD2 4.13Å; F101-W328 AromaticContact CZ-CG 3.81Å; F101-W328 HydrophobicContact CZ-CG 3.81Å
102	S	95.8	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.3	-169.8	-51.8	0	0	0	0	113.8	W73 N76 L98 N99 L104	W73-S102 WeakPolarHBondContact CA-O 3.28Å; N76-S102 PolarHBondContact ND2-O 3.03Å; L98-S102 WeakPolarHBondContact CA-OG 3.46Å; N99-S102 PolarHBondContact N-OG 3.31Å; N99-S102 WeakPolarHBondContact O-CB 3.34Å; N99-S102 PolarHBondContact O-N 3.2Å; N99-S102 VanDerWaalsContact O-N 3.1Å; N99-S102 PolarHBondContact O-OG 3.24Å; S102-L104 VanDerWaalsContact C-N 3.35Å
103	D	96.2	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.2	175.2	64.8	-31.8	0	0	0	114.1	W49 W52 K58 Y60 H69 N72 F101	W49-D103 HydrophobicContact CH2-CB 4.42Å; W49-D103 HydrophobicContact CZ3-CB 4.35Å; W52-D103 HydrophobicContact CH2-CB 3.46Å; W52-D103 VanDerWaalsContact CH2-CB 3.46Å; W52-D103 WeakPolarHBondContact CH2-OD1 3.2Å; W52-D103 HydrophobicContact CZ2-CB 4.34Å; W52-D103 HydrophobicContact CZ3-CB 3.86Å; K58-D103 WeakPolarHBondContact CD-OD2 3.47Å; K58-D103 VanDerWaalsContact NZ-CG 3.28Å; K58-D103 IonicContact NZ-OD1 3.88Å; K58-D103 PolarHBondContact NZ-OD1 3.31Å; K58-D103 IonicContact NZ-OD2 3.95Å; K58-D103 PolarHBondContact NZ-OD2 3.01Å; Y60-D103 WeakPolarHBondContact OH-CB 3.2Å; Y60-D103 PolarHBondContact OH-OD2 2.87Å; H69-D103 HydrophobicContact CB-CB 3.94Å; H69-D103 IonicContact CE1-OD2 3.57Å; H69-D103 IonicContact CG-OD2 3.94Å; H69-D103 PolarHBondContact ND1-O 2.99Å; H69-D103 IonicContact ND1-OD2 2.75Å; H69-D103 PolarHBondContact ND1-OD2 3.32Å; N72-D103 VanDerWaalsContact CB-O 3.28Å; N72-D103 WeakPolarHBondContact CB-O 3.38Å; N72-D103 PolarHBondContact ND2-O 3.11Å; F101-D103 PolarHBondContact O-N 3.33Å; F101-D103 VanDerWaalsContact O-N 3.16Å
104	L	94.6	Very high	93.5	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	17%	0.168	C	C	.	.	S	Bend	trans	-100.3	148.2	-176.8	-52	178.4	0	0	0	110.8	N76 F101 S102 I109 Y113	N76-L104 PolarHBondContact ND2-O 2.86Å; N76-L104 VanDerWaalsContact ND2-O 3.1Å; F101-L104 HydrophobicContact CB-CD1 4.36Å; F101-L104 HydrophobicContact CD1-CD1 4.14Å; F101-L104 WeakPolarHBondContact O-CB 3.25Å; F101-L104 PolarHBondContact O-N 2.96Å; S102-L104 VanDerWaalsContact C-N 3.35Å; L104-I109 HydrophobicContact CB-CD1 4.04Å; L104-I109 HydrophobicContact CB-CG1 3.79Å; L104-I109 HydrophobicContact CD1-CG1 4.17Å; L104-Y113 HydrophobicContact CD1-CE2 3.98Å
105	N	92.7	Very high	93	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.283	17%	0.172	S	C	.	.			trans	-87.7	160.2	168	69.3	56.8	0	0	0	110.7	S107 H108 I109	N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 2.77Å; N105-S107 WeakPolarHBondContact OD1-CB 3.21Å; N105-S107 PolarHBondContact OD1-N 2.8Å; N105-S107 VanDerWaalsContact OD1-N 3.14Å; N105-H108 PolarHBondContact O-N 2.77Å; N105-H108 PolarHBondContact OD1-N 2.99Å; N105-I109 WeakPolarHBondContact O-CG1 3.45Å; N105-I109 PolarHBondContact O-N 2.95Å; N105-I109 VanDerWaalsContact O-N 3.1Å
106	W	92.4	Very high	92.4	Very high	80 Å²	80	34.8 Å²	34.8	30%	0.303	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-38.2	-177.6	177.8	-114.6	0	0	0	113.4	H108 I109 S110 L114 V282 Q284 M287	W106-H108 VanDerWaalsContact C-N 3.34Å; W106-H108 PolarHBondContact O-N 3.44Å; W106-I109 HydrophobicContact CE3-CB 4.32Å; W106-I109 HydrophobicContact CE3-CG2 4.16Å; W106-I109 HydrophobicContact CZ3-CG2 4.01Å; W106-I109 PolarHBondContact O-N 2.83Å; W106-S110 VanDerWaalsContact O-CB 3.31Å; W106-S110 WeakPolarHBondContact O-CB 3.04Å; W106-S110 PolarHBondContact O-N 2.81Å; W106-S110 PolarHBondContact O-OG 2.8Å; W106-S110 VanDerWaalsContact O-OG 3.14Å; W106-L114 HydrophobicContact CH2-CD1 3.54Å; W106-L114 HydrophobicContact CZ2-CD1 4.12Å; W106-L114 HydrophobicContact CZ3-CD1 4.21Å; W106-V282 HydrophobicContact CH2-CG1 4.13Å; W106-V282 VanDerWaalsContact CH2-O 3.29Å; W106-V282 WeakPolarHBondContact CH2-O 3.27Å; W106-V282 HydrophobicContact CZ3-CG1 4.37Å; W106-Q284 HydrophobicContact CB-CG 4.38Å; W106-Q284 HydrophobicContact CD2-CB 3.99Å; W106-Q284 VanDerWaalsContact CE3-CA 3.47Å; W106-Q284 HydrophobicContact CE3-CB 3.67Å; W106-Q284 HydrophobicContact CE3-CG 4.19Å; W106-Q284 HydrophobicContact CG-CB 4.36Å; W106-Q284 HydrophobicContact CZ3-CB 4.25Å; W106-Q284 VanDerWaalsContact CZ3-N 3.28Å; W106-M287 HydrophobicContact CE3-CG 4.41Å; W106-M287 HydrophobicContact CZ3-CG 3.7Å
107	S	91.6	Very high	91.8	Very high	82 Å²	82	34.8 Å²	34.8	57%	0.573	19%	0.191	S	C	*	.	H	α-helix	trans	-58.2	-48.8	179.3	-171.6	0	0	0	0	110.6	N105 S110 T111	N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 2.77Å; N105-S107 WeakPolarHBondContact OD1-CB 3.21Å; N105-S107 PolarHBondContact OD1-N 2.8Å; N105-S107 VanDerWaalsContact OD1-N 3.14Å; S107-S110 PolarHBondContact O-N 3.29Å; S107-S110 PolarHBondContact O-OG 3.2Å; S107-T111 PolarHBondContact O-N 3.09Å; S107-T111 PolarHBondContact O-OG1 2.87Å
108	H	89.2	Confident	91.1	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.319	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-45.9	178.1	-177	93.2	0	0	0	111.7	N105 W106 S110 T111 I112	N105-H108 PolarHBondContact O-N 2.77Å; N105-H108 PolarHBondContact OD1-N 2.99Å; W106-H108 VanDerWaalsContact C-N 3.34Å; W106-H108 PolarHBondContact O-N 3.44Å; H108-S110 PolarHBondContact O-N 2.88Å; H108-T111 PolarHBondContact O-N 3.09Å; H108-I112 WeakPolarHBondContact CE1-CD1 3.24Å; H108-I112 VanDerWaalsContact NE2-CD1 3.32Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.44Å; H108-I112 PolarHBondContact O-N 3.3Å
109	I	90.6	Very high	90.4	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-50.5	177.6	-70.4	169.1	0	0	0	111.3	F101 L104 N105 W106 T111 I112 Y113 M287	F101-I109 HydrophobicContact CB-CD1 4.4Å; L104-I109 HydrophobicContact CB-CD1 4.04Å; L104-I109 HydrophobicContact CB-CG1 3.79Å; L104-I109 HydrophobicContact CD1-CG1 4.17Å; N105-I109 WeakPolarHBondContact O-CG1 3.45Å; N105-I109 PolarHBondContact O-N 2.95Å; N105-I109 VanDerWaalsContact O-N 3.1Å; W106-I109 HydrophobicContact CE3-CB 4.32Å; W106-I109 HydrophobicContact CE3-CG2 4.16Å; W106-I109 HydrophobicContact CZ3-CG2 4.01Å; W106-I109 PolarHBondContact O-N 2.83Å; I109-T111 PolarHBondContact O-N 3.23Å; I109-I112 PolarHBondContact O-N 2.87Å; I109-Y113 HydrophobicContact CG2-CD2 4.35Å; I109-Y113 PolarHBondContact O-N 2.95Å; I109-M287 HydrophobicContact CD1-CE 4.24Å; I109-M287 HydrophobicContact CD1-CG 4.39Å; I109-M287 HydrophobicContact CG1-CE 4.38Å; I109-M287 HydrophobicContact CG2-CE 3.49Å; I109-M287 VanDerWaalsContact CG2-CE 3.49Å; I109-M287 HydrophobicContact CG2-CG 3.78Å; I109-M287 HydrophobicContact CG2-SD 3.53Å; I109-M287 VanDerWaalsContact CG2-SD 3.53Å
110	S	90.6	Very high	89.5	Confident	43 Å²	43	38.5 Å²	38.5	30%	0.301	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-24.4	-174.7	69.8	0	0	0	0	113.3	W106 S107 H108	W106-S110 VanDerWaalsContact O-CB 3.31Å; W106-S110 WeakPolarHBondContact O-CB 3.04Å; W106-S110 PolarHBondContact O-N 2.81Å; W106-S110 PolarHBondContact O-OG 2.8Å; W106-S110 VanDerWaalsContact O-OG 3.14Å; S107-S110 PolarHBondContact O-N 3.29Å; S107-S110 PolarHBondContact O-OG 3.2Å; H108-S110 PolarHBondContact O-N 2.88Å
111	T	88.8	Confident	88.6	Confident	108 Å²	108	38.2 Å²	38.2	66%	0.663	20%	0.203	S	C	*	.	H	α-helix	trans	-82.5	-36	176.3	-59.2	0	0	0	0	112.8	S107 H108 I109	S107-T111 PolarHBondContact O-N 3.09Å; S107-T111 PolarHBondContact O-OG1 2.87Å; H108-T111 PolarHBondContact O-N 3.09Å; I109-T111 PolarHBondContact O-N 3.23Å
112	I	87.2	Confident	87.5	Confident	42 Å²	42	42.2 Å²	42.2	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-97.6	-41.8	-169.4	-64.3	-178.2	0	0	0	112.8	H108 I109 E165	H108-I112 WeakPolarHBondContact CE1-CD1 3.24Å; H108-I112 VanDerWaalsContact NE2-CD1 3.32Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.44Å; H108-I112 PolarHBondContact O-N 3.3Å; I109-I112 PolarHBondContact O-N 2.87Å; I112-E165 HydrophobicContact CG2-CB 3.72Å; I112-E165 HydrophobicContact CG2-CG 4.07Å
113	Y	90.3	Very high	86.1	Confident	17 Å²	17	45.6 Å²	45.6	7%	0.067	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-18.3	-171	-63	-81	0	0	0	113.6	F101 L104 I109 Q163 G164 E165	F101-Y113 HydrophobicContact CD1-CE2 4.15Å; F101-Y113 HydrophobicContact CE1-CD1 4.16Å; F101-Y113 AromaticContact CE1-CE1 3.67Å; F101-Y113 HydrophobicContact CE1-CE1 3.67Å; F101-Y113 HydrophobicContact CE1-CE2 4.09Å; F101-Y113 AromaticContact CE1-CZ 3.63Å; F101-Y113 HydrophobicContact CZ-CE1 4.44Å; L104-Y113 HydrophobicContact CD1-CE2 3.98Å; I109-Y113 HydrophobicContact CG2-CD2 4.35Å; I109-Y113 PolarHBondContact O-N 2.95Å; Y113-Q163 PolarHBondContact O-NE2 2.88Å; Y113-G164 VanDerWaalsContact CD1-O 3.31Å; Y113-G164 WeakPolarHBondContact CD1-O 3.49Å; Y113-G164 WeakPolarHBondContact CE1-O 3.46Å; Y113-E165 HydrophobicContact CE1-CG 4.48Å
114	L	92.3	Very high	84.8	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.058	25%	0.247	C	C	.	.			trans	-109.9	156.7	-177.6	-50.2	-175.8	0	0	0	110.4	W106 V282 N305 H306 W328	W106-L114 HydrophobicContact CH2-CD1 3.54Å; W106-L114 HydrophobicContact CZ2-CD1 4.12Å; W106-L114 HydrophobicContact CZ3-CD1 4.21Å; L114-V282 HydrophobicContact CD1-CB 4.06Å; L114-V282 HydrophobicContact CD1-CG1 4.04Å; L114-V282 HydrophobicContact CD2-CB 3.81Å; L114-V282 HydrophobicContact CD2-CG1 3.89Å; L114-V282 HydrophobicContact CD2-CG2 4.13Å; L114-N305 HydrophobicContact CB-CB 4.48Å; L114-H306 HydrophobicContact CD2-CB 4.08Å; L114-W328 HydrophobicContact CD2-CZ2 4.23Å
115	T	88.3	Confident	83.4	Confident	15 Å²	15	49.4 Å²	49.4	9%	0.092	26%	0.258	C	S	.	.			trans	-140.7	161.1	-179.8	69.2	0	0	0	0	109.7	L117 G167 N305	T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.13Å; T115-L117 WeakPolarHBondContact OG1-CD1 3.46Å; T115-G167 WeakPolarHBondContact CG2-O 3.48Å; T115-N305 PolarHBondContact N-O 3.37Å; T115-N305 CarbonylContact O-C 3.17Å; T115-N305 VanDerWaalsContact O-C 3.24Å; T115-N305 WeakPolarHBondContact O-CA 3.47Å; T115-N305 VanDerWaalsContact O-CB 3.28Å; T115-N305 WeakPolarHBondContact O-CB 3.32Å
116	N	84.6	Confident	81.8	Confident	99 Å²	99	55 Å²	55	53%	0.529	28%	0.28	S	S	.	.			trans	-84	74.5	178.6	-169.8	-14	0	0	0	111.1	S118 Q119 Y120	N116-S118 PolarHBondContact O-N 3.47Å; N116-Q119 HydrophobicContact CB-CB 4.46Å; N116-Q119 WeakPolarHBondContact O-CB 3.21Å; N116-Q119 PolarHBondContact O-N 3.11Å; N116-Q119 PolarHBondContact OD1-N 3.5Å; N116-Y120 WeakPolarHBondContact O-CD2 3.47Å
117	L	85.6	Confident	80	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-38.4	179.3	-96.9	86.9	0	0	0	112	T115 Q119 Y120 F121 M214 V304 A307 M353	T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.13Å; T115-L117 WeakPolarHBondContact OG1-CD1 3.46Å; L117-Q119 PolarHBondContact O-N 3.21Å; L117-Y120 WeakPolarHBondContact O-CB 3.33Å; L117-Y120 PolarHBondContact O-N 3.35Å; L117-F121 PolarHBondContact O-N 2.9Å; L117-M214 HydrophobicContact CD2-CE 4.2Å; L117-M214 HydrophobicContact CD2-SD 3.93Å; L117-V304 HydrophobicContact CB-CG2 3.98Å; L117-V304 WeakPolarHBondContact CB-O 3.2Å; L117-V304 PolarHBondContact N-O 2.75Å; L117-A307 HydrophobicContact CD2-CB 3.83Å; L117-M353 HydrophobicContact CB-CE 4.36Å; L117-M353 HydrophobicContact CB-SD 3.89Å; L117-M353 HydrophobicContact CD2-CE 4.39Å; L117-M353 HydrophobicContact CD2-SD 4.39Å
118	S	81.1	Confident	78	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-33.8	-177.6	-58.1	0	0	0	0	113.1	N116 Y120 F121 L122 T302 E303 V304	N116-S118 PolarHBondContact O-N 3.47Å; S118-Y120 PolarHBondContact O-N 3.13Å; S118-F121 PolarHBondContact O-N 3.47Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.04Å; S118-T302 WeakPolarHBondContact CB-O 3.47Å; S118-T302 PolarHBondContact OG-O 3.07Å; S118-E303 VanDerWaalsContact OG-CA 3.23Å; S118-E303 WeakPolarHBondContact OG-CA 3.47Å; S118-V304 PolarHBondContact N-O 2.88Å; S118-V304 VanDerWaalsContact N-O 3.16Å; S118-V304 WeakPolarHBondContact OG-CG2 3.47Å; S118-V304 PolarHBondContact OG-N 3.01Å; S118-V304 PolarHBondContact OG-O 3.35Å
119	Q	81	Confident	75.5	Confident	87 Å²	87	63 Å²	63	41%	0.407	32%	0.322	S	S	.	.	H	α-helix	trans	-59.6	-36.1	175.3	-174.5	58.7	63.5	0	0	112.3	N116 L117 N123	N116-Q119 HydrophobicContact CB-CB 4.46Å; N116-Q119 WeakPolarHBondContact O-CB 3.21Å; N116-Q119 PolarHBondContact O-N 3.11Å; N116-Q119 PolarHBondContact OD1-N 3.5Å; L117-Q119 PolarHBondContact O-N 3.21Å; Q119-N123 PolarHBondContact NE2-ND2 2.99Å; Q119-N123 PolarHBondContact NE2-OD1 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 2.89Å; Q119-N123 PolarHBondContact O-N 3.23Å; Q119-N123 PolarHBondContact O-ND2 3.4Å
120	Y	77.9	Confident	73.4	Confident	35 Å²	35	67.4 Å²	67.4	14%	0.137	34%	0.342	C	S	.	.	H	α-helix	trans	-70.9	-41.7	177.8	-63.8	-86	0	0	0	111.9	N116 L117 S118 N123 R124 G205 H207 G211 G212 D213	N116-Y120 WeakPolarHBondContact O-CD2 3.47Å; L117-Y120 WeakPolarHBondContact O-CB 3.33Å; L117-Y120 PolarHBondContact O-N 3.35Å; S118-Y120 PolarHBondContact O-N 3.13Å; Y120-N123 PolarHBondContact O-N 2.92Å; Y120-R124 PolarHBondContact O-N 3.17Å; Y120-G205 VanDerWaalsContact CE1-O 3.28Å; Y120-G205 WeakPolarHBondContact CE1-O 3.47Å; Y120-H207 AromaticContact CE1-ND1 3.95Å; Y120-H207 AromaticContact CZ-ND1 3.9Å; Y120-H207 PolarHBondContact OH-ND1 3.49Å; Y120-G211 PolarHBondContact OH-O 2.87Å; Y120-G212 PolarHBondContact OH-N 3.43Å; Y120-D213 HydrophobicContact CD1-CB 3.94Å; Y120-D213 HydrophobicContact CG-CB 3.89Å
121	F	75.8	Confident	71.2	Confident	27 Å²	27	73.4 Å²	73.4	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-50	175.9	-178.4	-102.9	0	0	0	112.2	L117 S118 N123 R124 H125 L260 T352 M353	L117-F121 PolarHBondContact O-N 2.9Å; S118-F121 PolarHBondContact O-N 3.47Å; F121-N123 VanDerWaalsContact C-N 3.26Å; F121-N123 PolarHBondContact O-N 3.35Å; F121-R124 PolarHBondContact O-N 2.86Å; F121-R124 VanDerWaalsContact O-N 3.11Å; F121-H125 AromaticContact CD1-CD2 3.75Å; F121-H125 AromaticContact CD2-CD2 3.57Å; F121-H125 AromaticContact CD2-NE2 3.56Å; F121-H125 AromaticContact CE1-CD2 3.41Å; F121-H125 VanDerWaalsContact CE1-CD2 3.41Å; F121-H125 WeakPolarHBondContact CE1-CD2 3.01Å; F121-H125 AromaticContact CE1-NE2 3.81Å; F121-H125 AromaticContact CE2-CD2 3.27Å; F121-H125 WeakPolarHBondContact CE2-CD2 3.27Å; F121-H125 AromaticContact CE2-NE2 2.89Å; F121-H125 WeakPolarHBondContact CE2-NE2 3.41Å; F121-H125 AromaticContact CG-CD2 3.81Å; F121-H125 AromaticContact CZ-CD2 3.16Å; F121-H125 WeakPolarHBondContact CZ-CD2 3.16Å; F121-H125 AromaticContact CZ-NE2 3.01Å; F121-H125 WeakPolarHBondContact CZ-NE2 3.23Å; F121-H125 PolarHBondContact O-CD2 3.47Å; F121-H125 PolarHBondContact O-N 2.86Å; F121-L260 HydrophobicContact CE1-CD1 4.15Å; F121-L260 HydrophobicContact CZ-CD1 3.73Å; F121-T352 WeakPolarHBondContact CE2-O 2.93Å; F121-M353 HydrophobicContact CB-CE 3.85Å; F121-M353 HydrophobicContact CB-CG 3.78Å; F121-M353 HydrophobicContact CB-SD 3.58Å; F121-M353 VanDerWaalsContact CB-SD 3.58Å; F121-M353 HydrophobicContact CD2-CG 3.58Å; F121-M353 HydrophobicContact CD2-SD 4.49Å; F121-M353 HydrophobicContact CE2-CG 4.33Å; F121-M353 HydrophobicContact CG-CG 3.83Å; F121-M353 HydrophobicContact CG-SD 4.31Å
122	L	70.5	Confident	69.3	Low	94 Å²	94	71.7 Å²	71.7	49%	0.492	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-39	177.6	-68.5	174.4	0	0	0	111.7	S118 K126	S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.04Å; L122-K126 WeakPolarHBondContact O-CG 3.5Å; L122-K126 PolarHBondContact O-N 3.33Å
123	N	67.1	Low	67.7	Low	72 Å²	72	71.8 Å²	71.8	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-67.9	-36.3	177.3	-72.5	-16.3	0	0	0	112.5	Q119 Y120 F121	Q119-N123 PolarHBondContact NE2-ND2 2.99Å; Q119-N123 PolarHBondContact NE2-OD1 3.22Å; Q119-N123 WeakPolarHBondContact O-CB 2.89Å; Q119-N123 PolarHBondContact O-N 3.23Å; Q119-N123 PolarHBondContact O-ND2 3.4Å; Y120-N123 PolarHBondContact O-N 2.92Å; F121-N123 VanDerWaalsContact C-N 3.26Å; F121-N123 PolarHBondContact O-N 3.35Å
124	R	69.5	Low	65.7	Low	26 Å²	26	81 Å²	81	10%	0.098	40%	0.397	C	S	.	.	H	α-helix	trans	-68.2	-47.5	176.8	-162.5	-167.9	-49.9	141.7	7.8	111.6	Y120 F121 K126 K127 Q128 D213 N215 E257	Y120-R124 PolarHBondContact O-N 3.17Å; F121-R124 PolarHBondContact O-N 2.86Å; F121-R124 VanDerWaalsContact O-N 3.11Å; R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.49Å; R124-K127 PolarHBondContact O-N 3.35Å; R124-Q128 PolarHBondContact O-N 2.81Å; R124-Q128 VanDerWaalsContact O-N 3.16Å; R124-D213 IonicContact CZ-OD1 3.64Å; R124-D213 IonicContact CZ-OD2 3.82Å; R124-D213 IonicContact NE-OD2 2.81Å; R124-D213 IonicContact NH2-OD1 3.61Å; R124-D213 PolarHBondContact NH2-OD1 2.83Å; R124-D213 IonicContact NH2-OD2 2.99Å; R124-D213 PolarHBondContact NH2-OD2 3.45Å; R124-N215 VanDerWaalsContact CZ-ND2 3.25Å; R124-N215 PolarHBondContact NH1-ND2 2.98Å; R124-E257 IonicContact CZ-OE2 2.87Å; R124-E257 IonicContact NH1-OE2 3.29Å; R124-E257 PolarHBondContact NH1-OE2 3.01Å
125	H	64.1	Low	63.8	Low	62 Å²	62	84.9 Å²	84.9	29%	0.287	42%	0.415	S	S	.	.	H	α-helix	trans	-65.8	-26.5	-180	-80.7	-67	0	0	0	113.9	F121 K127 Q130	F121-H125 AromaticContact CD1-CD2 3.75Å; F121-H125 AromaticContact CD2-CD2 3.57Å; F121-H125 AromaticContact CD2-NE2 3.56Å; F121-H125 AromaticContact CE1-CD2 3.41Å; F121-H125 VanDerWaalsContact CE1-CD2 3.41Å; F121-H125 WeakPolarHBondContact CE1-CD2 3.01Å; F121-H125 AromaticContact CE1-NE2 3.81Å; F121-H125 AromaticContact CE2-CD2 3.27Å; F121-H125 WeakPolarHBondContact CE2-CD2 3.27Å; F121-H125 AromaticContact CE2-NE2 2.89Å; F121-H125 WeakPolarHBondContact CE2-NE2 3.41Å; F121-H125 AromaticContact CG-CD2 3.81Å; F121-H125 AromaticContact CZ-CD2 3.16Å; F121-H125 WeakPolarHBondContact CZ-CD2 3.16Å; F121-H125 AromaticContact CZ-NE2 3.01Å; F121-H125 WeakPolarHBondContact CZ-NE2 3.23Å; F121-H125 PolarHBondContact O-CD2 3.47Å; F121-H125 PolarHBondContact O-N 2.86Å; H125-K127 VanDerWaalsContact C-N 3.33Å; H125-Q130 PolarHBondContact CE1-NE2 2.99Å; H125-Q130 PolarHBondContact ND1-NE2 2.67Å
126	K	58.8	Low	62.1	Low	171 Å²	171	89 Å²	89	74%	0.743	44%	0.444	S	S	*	.	H	α-helix	trans	-70	-26.7	170.8	-75.4	176.6	-179.4	-179.6	0	113.5	L122 R124	L122-K126 WeakPolarHBondContact O-CG 3.5Å; L122-K126 PolarHBondContact O-N 3.33Å; R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.49Å
127	K	54.9	Low	61	Low	183 Å²	183	86.4 Å²	86.4	80%	0.796	43%	0.43	S	S	*	.	H	α-helix	trans	-103	-16.5	-170.6	-73.2	-175.4	178.4	-178.5	0	115	R124 H125	R124-K127 PolarHBondContact O-N 3.35Å; H125-K127 VanDerWaalsContact C-N 3.33Å
128	Q	49.8	Very low	60	Low	99 Å²	99	90 Å²	90	46%	0.463	45%	0.45	S	S	.	.			trans	-138.9	114.8	-171.3	-129.4	150.8	3.6	0	0	112.1	R124 Q130	R124-Q128 PolarHBondContact O-N 2.81Å; R124-Q128 VanDerWaalsContact O-N 3.16Å; Q128-Q130 PolarHBondContact O-N 3.16Å; Q128-Q130 VanDerWaalsContact O-N 3.1Å
129	S	36.6	Very low	59.3	Low	117 Å²	117	96.5 Å²	96.5	82%	0.818	48%	0.479	S	S	*	.			trans	-58.8	111	160.9	54.7	0	0	0	0	107.3	I131	S129-I131 PolarHBondContact O-N 3.41Å
130	Q	45.8	Very low	58.9	Low	97 Å²	97	96.3 Å²	96.3	45%	0.453	48%	0.484	S	S	.	.			trans	-50.8	122.3	-170.5	-59.3	167.7	-7.2	0	0	110.8	H125 Q128 L132	H125-Q130 PolarHBondContact CE1-NE2 2.99Å; H125-Q130 PolarHBondContact ND1-NE2 2.67Å; Q128-Q130 PolarHBondContact O-N 3.16Å; Q128-Q130 VanDerWaalsContact O-N 3.1Å; Q130-L132 HydrophobicContact CB-CD1 4.41Å; Q130-L132 HydrophobicContact CB-CD2 4.47Å; Q130-L132 HydrophobicContact CB-CG 3.76Å; Q130-L132 PolarHBondContact O-N 2.91Å
131	I	45	Very low	58.9	Low	169 Å²	169	99.1 Å²	99.1	87%	0.867	49%	0.494	S	S	*	.			trans	-76.3	75.4	151.2	-58.9	176.5	0	0	0	104.4	S129	S129-I131 PolarHBondContact O-N 3.41Å
132	L	50.2	Low	59	Low	72 Å²	72	99.7 Å²	99.7	38%	0.377	50%	0.498	S	S	.	.			trans	-55.7	143	165.6	-79	162.6	0	0	0	107.1	Q130 K134 K259	Q130-L132 HydrophobicContact CB-CD1 4.41Å; Q130-L132 HydrophobicContact CB-CD2 4.47Å; Q130-L132 HydrophobicContact CB-CG 3.76Å; Q130-L132 PolarHBondContact O-N 2.91Å; L132-K134 VanDerWaalsContact C-N 3.35Å; L132-K134 PolarHBondContact O-N 3.03Å; L132-K259 HydrophobicContact CD2-CB 4.34Å
133	L	51.9	Low	59.5	Low	45 Å²	45	103.2 Å²	103.2	24%	0.236	51%	0.509	C	S	.	.			trans	-50.6	106.3	163.5	-158.8	83.1	0	0	0	106.9	Q135 I256	L133-Q135 HydrophobicContact CD2-CB 3.85Å; L133-Q135 HydrophobicContact CD2-CG 4.43Å; L133-Q135 HydrophobicContact CG-CB 4.04Å; L133-Q135 HydrophobicContact CG-CG 4.38Å; L133-Q135 PolarHBondContact O-N 3.14Å; L133-I256 HydrophobicContact CD1-CD1 4.13Å; L133-I256 HydrophobicContact CD1-CG1 4.02Å; L133-I256 HydrophobicContact CD1-CG2 4.04Å; L133-I256 HydrophobicContact CD2-CG2 4.47Å
134	K	48.3	Very low	60.5	Low	211 Å²	211	106.2 Å²	106.2	92%	0.917	52%	0.521	S	S	*	.			trans	-64.4	-1.6	176.7	-87.9	-170.8	177.3	-177.4	0	112.5	L132 S136	L132-K134 VanDerWaalsContact C-N 3.35Å; L132-K134 PolarHBondContact O-N 3.03Å; K134-S136 VanDerWaalsContact C-N 3.33Å; K134-S136 PolarHBondContact O-N 3.24Å
135	Q	53	Low	61.6	Low	92 Å²	92	105.5 Å²	105.5	43%	0.43	52%	0.519	S	S	.	.			trans	-72.4	96.1	171	-69.7	-179.5	-12.7	0	0	107.7	L133 L137	L133-Q135 HydrophobicContact CD2-CB 3.85Å; L133-Q135 HydrophobicContact CD2-CG 4.43Å; L133-Q135 HydrophobicContact CG-CB 4.04Å; L133-Q135 HydrophobicContact CG-CG 4.38Å; L133-Q135 PolarHBondContact O-N 3.14Å; Q135-L137 PolarHBondContact O-N 3.06Å
136	S	52.1	Low	63.1	Low	100 Å²	100	104.8 Å²	104.8	70%	0.699	52%	0.52	S	S	*	.			trans	-52.7	111.1	158.1	58.1	0	0	0	0	106.9	K134 N138	K134-S136 VanDerWaalsContact C-N 3.33Å; K134-S136 PolarHBondContact O-N 3.24Å; S136-N138 PolarHBondContact O-N 3.45Å
137	L	62.1	Low	64.8	Low	46 Å²	46	103 Å²	103	24%	0.241	52%	0.519	C	S	.	.			trans	-57.4	108.5	161.9	-73.4	158.2	0	0	0	105.9	Q135 L142 Q265 Y268	Q135-L137 PolarHBondContact O-N 3.06Å; L137-L142 HydrophobicContact CD2-CD2 4.16Å; L137-L142 HydrophobicContact CD2-CG 4.47Å; L137-Q265 VanDerWaalsContact CD1-CA 3.42Å; L137-Q265 HydrophobicContact CD1-CB 3.39Å; L137-Q265 HydrophobicContact CD1-CG 3.62Å; L137-Y268 HydrophobicContact CD2-CD1 3.35Å; L137-Y268 HydrophobicContact CD2-CD2 3.78Å; L137-Y268 HydrophobicContact CD2-CE1 3.8Å; L137-Y268 HydrophobicContact CD2-CE2 4.23Å; L137-Y268 HydrophobicContact CD2-CG 3.31Å
138	N	65.5	Low	66.9	Low	76 Å²	76	97.5 Å²	97.5	41%	0.406	50%	0.503	S	S	.	.			trans	-83.2	146.7	165.1	64.7	4.1	0	0	0	107.5	S136 T140 R141	S136-N138 PolarHBondContact O-N 3.45Å; N138-T140 PolarHBondContact O-N 3.18Å; N138-R141 PolarHBondContact O-N 3.18Å; N138-R141 WeakPolarHBondContact OD1-CB 3.31Å; N138-R141 VanDerWaalsContact OD1-CG 3.29Å; N138-R141 WeakPolarHBondContact OD1-CG 3.32Å; N138-R141 PolarHBondContact OD1-N 3.28Å; N138-R141 VanDerWaalsContact OD1-N 3.14Å
139	E	65.7	Low	69.2	Low	146 Å²	146	96.1 Å²	96.1	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-52.6	-27.8	179.8	-65.1	177.5	179.7	0	0	112.4	L142 K143	E139-L142 PolarHBondContact O-N 3.18Å; E139-K143 WeakPolarHBondContact O-CG 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 VanDerWaalsContact O-N 3.16Å
140	T	71.5	Confident	72.1	Confident	83 Å²	83	91.5 Å²	91.5	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-58.5	-49.7	175.7	-45.1	0	0	0	0	112.2	N138 L142 K143 E144	N138-T140 PolarHBondContact O-N 3.18Å; T140-L142 VanDerWaalsContact C-N 3.3Å; T140-L142 PolarHBondContact O-N 2.94Å; T140-K143 WeakPolarHBondContact O-CB 3.36Å; T140-K143 PolarHBondContact O-N 2.97Å; T140-K143 VanDerWaalsContact O-N 3.12Å; T140-E144 PolarHBondContact O-N 3.3Å
141	R	79.8	Confident	74.6	Confident	94 Å²	94	88 Å²	88	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-65.7	-33.2	179.5	-79.7	179.6	177.7	-153.8	3.4	112.8	N138 K143 E144 Y268	N138-R141 PolarHBondContact O-N 3.18Å; N138-R141 WeakPolarHBondContact OD1-CB 3.31Å; N138-R141 VanDerWaalsContact OD1-CG 3.29Å; N138-R141 WeakPolarHBondContact OD1-CG 3.32Å; N138-R141 PolarHBondContact OD1-N 3.28Å; N138-R141 VanDerWaalsContact OD1-N 3.14Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 3.23Å; R141-E144 PolarHBondContact O-N 3.19Å; R141-Y268 HydrophobicContact CB-CE2 3.93Å; R141-Y268 PolarHBondContact NH1-OH 2.99Å
142	L	76.7	Confident	77.1	Confident	38 Å²	38	84.5 Å²	84.5	20%	0.199	42%	0.418	C	S	.	.	H	α-helix	trans	-68.4	-27.5	175.6	-70.6	174.5	0	0	0	112.4	L137 E139 T140 E144 E264 Y268	L137-L142 HydrophobicContact CD2-CD2 4.16Å; L137-L142 HydrophobicContact CD2-CG 4.47Å; E139-L142 PolarHBondContact O-N 3.18Å; T140-L142 VanDerWaalsContact C-N 3.3Å; T140-L142 PolarHBondContact O-N 2.94Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E264 HydrophobicContact CD1-CB 4.37Å; L142-Y268 HydrophobicContact CD2-CD2 4.35Å; L142-Y268 HydrophobicContact CD2-CG 4.44Å
143	K	80.5	Confident	79.2	Confident	168 Å²	168	89.5 Å²	89.5	73%	0.73	44%	0.437	S	S	*	.	H	α-helix	trans	-78.1	-13.7	174.5	-70	173.5	-175.7	174.8	0	113.6	E139 T140 R141	E139-K143 WeakPolarHBondContact O-CG 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 VanDerWaalsContact O-N 3.16Å; T140-K143 WeakPolarHBondContact O-CB 3.36Å; T140-K143 PolarHBondContact O-N 2.97Å; T140-K143 VanDerWaalsContact O-N 3.12Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 3.23Å
144	E	87.9	Confident	81.2	Confident	135 Å²	135	90.9 Å²	90.9	63%	0.631	45%	0.447	S	S	*	.	H	α-helix	trans	-87.6	-17.7	-178.9	-70.6	169.5	179.6	0	0	113.1	T140 R141 L142	T140-E144 PolarHBondContact O-N 3.3Å; R141-E144 PolarHBondContact O-N 3.19Å; L142-E144 VanDerWaalsContact C-N 3.31Å
145	I	93	Very high	83.3	Confident	12 Å²	12	82.7 Å²	82.7	6%	0.062	42%	0.422	C	S	.	.	S	Bend	trans	-87.1	143.7	-179.5	73.3	179.4	0	0	0	111.1	K267 Y268 Y271	I145-K267 HydrophobicContact CD1-CD 3.89Å; I145-K267 HydrophobicContact CD1-CG 3.85Å; I145-Y268 HydrophobicContact CG2-CD2 4Å; I145-Y268 HydrophobicContact CG2-CE2 4.34Å; I145-Y271 HydrophobicContact CB-CD1 3.68Å; I145-Y271 HydrophobicContact CB-CE1 4.03Å; I145-Y271 HydrophobicContact CB-CG 3.95Å; I145-Y271 HydrophobicContact CG2-CD1 3.27Å; I145-Y271 HydrophobicContact CG2-CE1 3.69Å; I145-Y271 HydrophobicContact CG2-CG 3.97Å
146	P	96.6	Very high	85.3	Confident	46 Å²	46	78.6 Å²	78.6	30%	0.299	40%	0.403	S	S	.	.			trans	-58.4	155.7	178.8	-24.1	34.1	0	0	0	113.4	S148 W149 Y271 Y313	P146-S148 VanDerWaalsContact C-N 3.26Å; P146-S148 PolarHBondContact O-N 3.39Å; P146-W149 HydrophobicContact CG-CE3 4.2Å; P146-Y271 HydrophobicContact CG-CD2 4.43Å; P146-Y271 HydrophobicContact CG-CE2 3.71Å; P146-Y313 WeakPolarHBondContact O-CE2 3.27Å; P146-Y313 PolarHBondContact O-OH 3.26Å
147	D	94.6	Very high	87.4	Confident	135 Å²	135	74.9 Å²	74.9	72%	0.722	38%	0.377	S	S	*	.	S	Bend	trans	-68.5	-25.9	175.2	-68.4	-32.6	0	0	0	113.2	Y313	D147-Y313 WeakPolarHBondContact O-CD2 3.41Å; D147-Y313 WeakPolarHBondContact O-CE2 3.31Å
148	S	97.9	Very high	89	Confident	66 Å²	66	73 Å²	73	46%	0.462	37%	0.367	S	S	.	.			trans	-137.9	138.5	175.5	-64.3	0	0	0	0	110.8	P146 Y313 G314	P146-S148 VanDerWaalsContact C-N 3.26Å; P146-S148 PolarHBondContact O-N 3.39Å; S148-Y313 CarbonylContact C-O 3.09Å; S148-Y313 WeakPolarHBondContact CA-O 3.27Å; S148-G314 VanDerWaalsContact OG-CA 3.26Å; S148-G314 WeakPolarHBondContact OG-CA 3.26Å
149	W	98.2	Very high	90.5	Very high	71 Å²	71	76.1 Å²	76.1	27%	0.269	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.1	177.1	-170.7	-104.8	0	0	0	110.8	P146 W151 Y271 G312 Y313	P146-W149 HydrophobicContact CG-CE3 4.2Å; W149-W151 AromaticContact CD1-CD1 3.91Å; W149-W151 AromaticContact CD1-CE2 3.78Å; W149-W151 AromaticContact CD1-NE1 3.65Å; W149-W151 HydrophobicContact CZ2-CE3 4.42Å; W149-W151 HydrophobicContact CZ2-CH2 4.2Å; W149-W151 HydrophobicContact CZ2-CZ3 4.11Å; W149-W151 AromaticContact NE1-CD1 3.92Å; W149-W151 AromaticContact NE1-CD2 3.31Å; W149-W151 VanDerWaalsContact NE1-CD2 3.31Å; W149-W151 AromaticContact NE1-CE2 3.14Å; W149-W151 AromaticContact NE1-CE3 3.73Å; W149-W151 AromaticContact NE1-CG 3.83Å; W149-W151 AromaticContact NE1-CH2 3.88Å; W149-W151 AromaticContact NE1-CZ2 3.47Å; W149-W151 AromaticContact NE1-CZ3 4Å; W149-W151 AromaticContact NE1-NE1 3.53Å; W149-Y271 HydrophobicContact CB-CD2 4.21Å; W149-Y271 AromaticContact CD2-CD2 3.7Å; W149-Y271 HydrophobicContact CD2-CD2 3.7Å; W149-Y271 AromaticContact CD2-CE2 3.74Å; W149-Y271 HydrophobicContact CD2-CE2 3.74Å; W149-Y271 HydrophobicContact CE3-CD2 4.06Å; W149-Y271 AromaticContact CE3-CE2 3.65Å; W149-Y271 HydrophobicContact CE3-CE2 3.65Å; W149-Y271 AromaticContact CG-CD2 3.77Å; W149-Y271 HydrophobicContact CG-CD2 3.77Å; W149-Y271 HydrophobicContact CG-CE2 4.29Å; W149-Y271 HydrophobicContact CH2-CE2 4.23Å; W149-Y271 HydrophobicContact CZ2-CE2 4.33Å; W149-Y271 AromaticContact CZ3-CE2 3.9Å; W149-Y271 HydrophobicContact CZ3-CE2 3.9Å; W149-G312 CarbonylContact O-C 3.59Å; W149-G312 WeakPolarHBondContact O-CA 3.31Å; W149-Y313 HydrophobicContact CB-CD1 4.27Å; W149-Y313 HydrophobicContact CB-CE1 3.67Å; W149-Y313 HydrophobicContact CB-CE2 4.19Å; W149-Y313 PolarHBondContact N-O 3.35Å; W149-Y313 PolarHBondContact O-N 3.09Å; W149-Y313 VanDerWaalsContact O-O 3.06Å
150	D	98.3	Very high	92.1	Very high	20 Å²	20	70.1 Å²	70.1	11%	0.107	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	105.7	179.7	-173	-8.6	0	0	0	111.1	R152 K153	D150-R152 VanDerWaalsContact CG-NE 3.34Å; D150-R152 PolarHBondContact O-N 3.16Å; D150-R152 VanDerWaalsContact O-N 3.14Å; D150-R152 VanDerWaalsContact OD1-CB 3.23Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.35Å; D150-R152 IonicContact OD1-CZ 3.77Å; D150-R152 PolarHBondContact OD1-N 2.75Å; D150-R152 IonicContact OD1-NE 3.96Å; D150-R152 PolarHBondContact OD1-NE 3.27Å; D150-R152 IonicContact OD1-NH2 3.87Å; D150-R152 IonicContact OD2-CZ 2.77Å; D150-R152 VanDerWaalsContact OD2-CZ 3.24Å; D150-R152 IonicContact OD2-NE 2.67Å; D150-R152 PolarHBondContact OD2-NE 3.32Å; D150-R152 IonicContact OD2-NH2 3.24Å; D150-R152 PolarHBondContact OD2-NH2 2.68Å; D150-K153 HydrophobicContact CB-CD 4.12Å; D150-K153 HydrophobicContact CB-CG 4.14Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.87Å
151	W	97.7	Very high	93.3	Very high	22 Å²	22	67.3 Å²	67.3	8%	0.083	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61.8	-20	-178.8	-77.1	116.5	0	0	0	113.9	W149 K153 V154 G155 V156 V157 L270 Y271 G274 P275 V311	W149-W151 AromaticContact CD1-CD1 3.91Å; W149-W151 AromaticContact CD1-CE2 3.78Å; W149-W151 AromaticContact CD1-NE1 3.65Å; W149-W151 HydrophobicContact CZ2-CE3 4.42Å; W149-W151 HydrophobicContact CZ2-CH2 4.2Å; W149-W151 HydrophobicContact CZ2-CZ3 4.11Å; W149-W151 AromaticContact NE1-CD1 3.92Å; W149-W151 AromaticContact NE1-CD2 3.31Å; W149-W151 VanDerWaalsContact NE1-CD2 3.31Å; W149-W151 AromaticContact NE1-CE2 3.14Å; W149-W151 AromaticContact NE1-CE3 3.73Å; W149-W151 AromaticContact NE1-CG 3.83Å; W149-W151 AromaticContact NE1-CH2 3.88Å; W149-W151 AromaticContact NE1-CZ2 3.47Å; W149-W151 AromaticContact NE1-CZ3 4Å; W149-W151 AromaticContact NE1-NE1 3.53Å; W151-K153 PolarHBondContact O-N 3.01Å; W151-V154 HydrophobicContact CD2-CG2 4.49Å; W151-V154 HydrophobicContact CE3-CG2 3.42Å; W151-V154 VanDerWaalsContact CE3-CG2 3.42Å; W151-V154 HydrophobicContact CZ3-CG2 3.92Å; W151-V154 WeakPolarHBondContact O-CG2 3.27Å; W151-V154 PolarHBondContact O-N 3.32Å; W151-G155 PolarHBondContact O-N 3.38Å; W151-V156 HydrophobicContact CB-CG2 3.5Å; W151-V156 VanDerWaalsContact CB-CG2 3.5Å; W151-V156 HydrophobicContact CD2-CG2 3.78Å; W151-V156 HydrophobicContact CE3-CB 4.47Å; W151-V156 HydrophobicContact CE3-CG1 4.25Å; W151-V156 HydrophobicContact CE3-CG2 3.38Å; W151-V156 HydrophobicContact CG-CG2 3.87Å; W151-V156 HydrophobicContact CZ3-CG2 4.32Å; W151-V156 PolarHBondContact O-N 3.07Å; W151-V157 HydrophobicContact CB-CG2 3.83Å; W151-L270 PolarHBondContact NE1-O 3.42Å; W151-Y271 WeakPolarHBondContact CZ2-O 3.35Å; W151-G274 VanDerWaalsContact CE2-CA 3.46Å; W151-P275 HydrophobicContact CB-CG 4.07Å; W151-P275 HydrophobicContact CG-CG 4.1Å; W151-V311 VanDerWaalsContact CB-O 3.23Å; W151-V311 WeakPolarHBondContact CB-O 3.11Å; W151-V311 VanDerWaalsContact CD1-O 3.25Å; W151-V311 PolarHBondContact N-O 3.16Å
152	R	96.9	Very high	94.1	Very high	97 Å²	97	66.8 Å²	66.8	37%	0.366	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-61.9	-36.4	174.2	-58.3	175.9	-63.7	175.3	4.1	111.2	D150 V154 G155 V157 V311 Y337	D150-R152 VanDerWaalsContact CG-NE 3.34Å; D150-R152 PolarHBondContact O-N 3.16Å; D150-R152 VanDerWaalsContact O-N 3.14Å; D150-R152 VanDerWaalsContact OD1-CB 3.23Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.35Å; D150-R152 IonicContact OD1-CZ 3.77Å; D150-R152 PolarHBondContact OD1-N 2.75Å; D150-R152 IonicContact OD1-NE 3.96Å; D150-R152 PolarHBondContact OD1-NE 3.27Å; D150-R152 IonicContact OD1-NH2 3.87Å; D150-R152 IonicContact OD2-CZ 2.77Å; D150-R152 VanDerWaalsContact OD2-CZ 3.24Å; D150-R152 IonicContact OD2-NE 2.67Å; D150-R152 PolarHBondContact OD2-NE 3.32Å; D150-R152 IonicContact OD2-NH2 3.24Å; D150-R152 PolarHBondContact OD2-NH2 2.68Å; R152-V154 PolarHBondContact O-N 3.35Å; R152-G155 PolarHBondContact O-N 3.43Å; R152-V157 HydrophobicContact CG-CB 4.21Å; R152-V157 HydrophobicContact CG-CG1 4.37Å; R152-V157 HydrophobicContact CG-CG2 4.12Å; R152-V311 HydrophobicContact CG-CG2 4.1Å; R152-Y337 HydrophobicContact CG-CE1 4.27Å
153	K	96	Very high	95	Very high	177 Å²	177	65 Å²	65	77%	0.77	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-68	-19.1	-176.7	-62.5	-178.2	-179	177.6	0	113.6	D150 W151	D150-K153 HydrophobicContact CB-CD 4.12Å; D150-K153 HydrophobicContact CB-CG 4.14Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.87Å; W151-K153 PolarHBondContact O-N 3.01Å
154	V	92.7	Very high	95.6	Very high	74 Å²	74	58 Å²	58	45%	0.448	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-109.9	9.4	178.9	-61.5	0	0	0	0	112.8	W151 R152 V156	W151-V154 HydrophobicContact CD2-CG2 4.49Å; W151-V154 HydrophobicContact CE3-CG2 3.42Å; W151-V154 VanDerWaalsContact CE3-CG2 3.42Å; W151-V154 HydrophobicContact CZ3-CG2 3.92Å; W151-V154 WeakPolarHBondContact O-CG2 3.27Å; W151-V154 PolarHBondContact O-N 3.32Å; R152-V154 PolarHBondContact O-N 3.35Å; V154-V156 HydrophobicContact CG2-CG1 4.06Å; V154-V156 HydrophobicContact CG2-CG2 4.3Å; V154-V156 PolarHBondContact O-N 3Å
155	G	92.9	Very high	95.7	Very high	38 Å²	38	58.2 Å²	58.2	39%	0.392	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	28.8	169.7	0	0	0	0	0	115.3	W151 R152 F189	W151-G155 PolarHBondContact O-N 3.38Å; R152-G155 PolarHBondContact O-N 3.43Å; G155-F189 WeakPolarHBondContact O-CD2 3.41Å
156	V	94.4	Very high	95.7	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.036	30%	0.303	C	S	.	.			trans	-101.1	8.7	177.1	-48.3	0	0	0	0	113.3	W151 V154 G180 K183 N184 P275	W151-V156 HydrophobicContact CB-CG2 3.5Å; W151-V156 VanDerWaalsContact CB-CG2 3.5Å; W151-V156 HydrophobicContact CD2-CG2 3.78Å; W151-V156 HydrophobicContact CE3-CB 4.47Å; W151-V156 HydrophobicContact CE3-CG1 4.25Å; W151-V156 HydrophobicContact CE3-CG2 3.38Å; W151-V156 HydrophobicContact CG-CG2 3.87Å; W151-V156 HydrophobicContact CZ3-CG2 4.32Å; W151-V156 PolarHBondContact O-N 3.07Å; V154-V156 HydrophobicContact CG2-CG1 4.06Å; V154-V156 HydrophobicContact CG2-CG2 4.3Å; V154-V156 PolarHBondContact O-N 3Å; V156-G180 WeakPolarHBondContact O-CA 3.44Å; V156-K183 HydrophobicContact CB-CB 4.15Å; V156-K183 HydrophobicContact CB-CG 4.07Å; V156-K183 HydrophobicContact CG1-CB 4.19Å; V156-K183 HydrophobicContact CG1-CG 3.72Å; V156-N184 WeakPolarHBondContact CG1-OD1 3.2Å; V156-P275 HydrophobicContact CG2-CG 4.13Å
157	V	96.8	Very high	95.6	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.139	29%	0.289	C	S	.	.	S	Bend	trans	-121.7	124.9	-178.6	-176.1	0	0	0	0	108.7	W151 R152 P275 V311 K325	W151-V157 HydrophobicContact CB-CG2 3.83Å; R152-V157 HydrophobicContact CG-CB 4.21Å; R152-V157 HydrophobicContact CG-CG1 4.37Å; R152-V157 HydrophobicContact CG-CG2 4.12Å; V157-P275 HydrophobicContact CG2-CG 4.03Å; V157-V311 HydrophobicContact CG1-CG1 3.87Å; V157-V311 HydrophobicContact CG2-CB 3.99Å; V157-V311 HydrophobicContact CG2-CG1 3.75Å; V157-K325 HydrophobicContact CG1-CD 3.74Å
158	S	96.2	Very high	95.6	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.6	170.3	175.9	48.8	0	0	0	0	112	E179 F189 K325	S158-E179 WeakPolarHBondContact CB-OE2 3.45Å; S158-E179 PolarHBondContact OG-OE2 3.38Å; S158-F189 VanDerWaalsContact CB-CZ 3.46Å; S158-K325 VanDerWaalsContact C-NZ 3.29Å; S158-K325 PolarHBondContact O-NZ 2.61Å; S158-K325 PolarHBondContact OG-NZ 2.93Å
159	K	96.9	Very high	95.6	Very high	140 Å²	140	46 Å²	46	61%	0.609	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-58.7	157.1	168.5	75.2	-162.2	170.6	-174.4	0	111.1	K161 E191 K325	K159-K161 PolarHBondContact O-N 2.77Å; K159-E191 WeakPolarHBondContact CD-OE1 3.43Å; K159-E191 VanDerWaalsContact CE-OE1 3.26Å; K159-E191 WeakPolarHBondContact CE-OE1 3.37Å; K159-E191 VanDerWaalsContact CE-OE2 3.28Å; K159-E191 WeakPolarHBondContact CE-OE2 3.35Å; K159-E191 VanDerWaalsContact CG-OE1 3.3Å; K159-E191 WeakPolarHBondContact CG-OE1 3.46Å; K159-E191 IonicContact NZ-OE2 3.99Å; K159-K325 VanDerWaalsContact O-CE 3.31Å; K159-K325 WeakPolarHBondContact O-CE 3.38Å; K159-K325 PolarHBondContact O-NZ 2.79Å
160	V	98.3	Very high	95.6	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.121	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-66	130.5	173.3	174	0	0	0	0	109.4	K325 T330 E335 Y337	V160-K325 HydrophobicContact CG2-CG 4.26Å; V160-T330 HydrophobicContact CB-CG2 3.97Å; V160-T330 HydrophobicContact CG1-CG2 4.45Å; V160-E335 WeakPolarHBondContact CG2-O 3.43Å; V160-Y337 HydrophobicContact CG2-CD2 4.07Å; V160-Y337 HydrophobicContact CG2-CE2 3.48Å; V160-Y337 VanDerWaalsContact CG2-CE2 3.48Å
161	K	97.6	Very high	95.5	Very high	24 Å²	24	41.7 Å²	41.7	10%	0.104	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-101	169.3	178.8	-60.6	-171.2	179.6	-176.9	0	110.8	K159 F172 E179 L192 E229 S327 G329	K159-K161 PolarHBondContact O-N 2.77Å; K161-F172 HydrophobicContact CB-CD1 3.7Å; K161-F172 HydrophobicContact CB-CE1 3.54Å; K161-F172 HydrophobicContact CD-CD1 3.85Å; K161-F172 HydrophobicContact CD-CE1 3.75Å; K161-F172 HydrophobicContact CG-CD1 4.35Å; K161-F172 HydrophobicContact CG-CE1 4.28Å; K161-E179 IonicContact NZ-OE1 2.58Å; K161-E179 PolarHBondContact NZ-OE1 3.02Å; K161-L192 PolarHBondContact NZ-O 3.05Å; K161-E229 IonicContact NZ-OE2 3.64Å; K161-E229 PolarHBondContact NZ-OE2 3.28Å; K161-S327 CarbonylContact O-C 3.53Å; K161-S327 WeakPolarHBondContact O-CA 3.21Å; K161-G329 PolarHBondContact O-N 3.17Å
162	V	96.8	Very high	95.6	Very high	84 Å²	84	41.5 Å²	41.5	51%	0.509	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-120	115.4	178.5	179.3	0	0	0	0	109.1	Y234 S327	V162-Y234 VanDerWaalsContact O-CE1 3.27Å; V162-Y234 WeakPolarHBondContact O-CE1 3.29Å; V162-S327 CarbonylContact C-O 3.59Å; V162-S327 WeakPolarHBondContact CA-O 3.5Å
163	Q	95.4	Very high	95.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.198	C	C	.	.			trans	-75.6	-25.6	176.2	78.6	-175.4	70.9	0	0	112.5	Y113 C166 F172 Y234 H306 S327	Y113-Q163 PolarHBondContact O-NE2 2.88Å; Q163-C166 PolarHBondContact NE2-O 2.82Å; Q163-F172 HydrophobicContact CB-CD2 3.73Å; Q163-F172 HydrophobicContact CB-CE2 3.41Å; Q163-F172 VanDerWaalsContact CB-CE2 3.41Å; Q163-F172 HydrophobicContact CB-CZ 4.12Å; Q163-Y234 WeakPolarHBondContact O-CE1 3.37Å; Q163-Y234 PolarHBondContact O-OH 3.31Å; Q163-H306 PolarHBondContact OE1-CE1 3.47Å; Q163-S327 PolarHBondContact N-O 3.41Å; Q163-S327 PolarHBondContact OE1-OG 2.75Å
164	G	92.7	Very high	95.8	Very high	20 Å²	20	28.6 Å²	28.6	21%	0.206	16%	0.162	C	C	.	.			trans	66.3	-155.9	-176.6	0	0	0	0	0	112.9	Y113 C166	Y113-G164 VanDerWaalsContact CD1-O 3.31Å; Y113-G164 WeakPolarHBondContact CD1-O 3.49Å; Y113-G164 WeakPolarHBondContact CE1-O 3.46Å; G164-C166 PolarHBondContact O-N 3.4Å
165	E	91.1	Very high	96.1	Very high	139 Å²	139	25.1 Å²	25.1	65%	0.65	14%	0.14	S	C	*	.	S	Bend	trans	-79.5	54.1	-178.6	-65.5	177.9	-176.8	0	0	112.3	I112 Y113	I112-E165 HydrophobicContact CG2-CB 3.72Å; I112-E165 HydrophobicContact CG2-CG 4.07Å; Y113-E165 HydrophobicContact CE1-CG 4.48Å
166	C	92.9	Very high	96.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	12%	0.124	C	C	.	.	S	Bend	trans	-144.7	131.9	-179.3	172.8	0	0	0	0	108.2	Q163 G164 A168 C209	Q163-C166 PolarHBondContact NE2-O 2.82Å; G164-C166 PolarHBondContact O-N 3.4Å; C166-A168 HydrophobicContact CB-CB 4.43Å; C166-A168 PolarHBondContact O-N 2.78Å; C166-A168 WeakPolarHBondContact SG-CB 3.46Å; C166-C209 HydrophobicContact CB-CB 3.95Å; C166-C209 WeakPolarHBondContact CB-SG 3.2Å; C166-C209 WeakPolarHBondContact SG-CA 3.29Å; C166-C209 WeakPolarHBondContact SG-CB 3.2Å; C166-C209 CovalentContact SG-SG 2.04Å; C166-C209 PolarHBondContact SG-SG 3.19Å
167	G	93.2	Very high	96.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	12%	0.122	C	C	.	.			trans	-71.3	41.8	175.9	0	0	0	0	0	113.6	T115 W170 C209	T115-G167 WeakPolarHBondContact CG2-O 3.48Å; G167-W170 VanDerWaalsContact O-CD1 3.25Å; G167-W170 PolarHBondContact O-NE1 2.82Å; G167-C209 WeakPolarHBondContact CA-O 3.48Å; G167-C209 PolarHBondContact N-O 3.42Å
168	A	95.2	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.			trans	-90.8	9.3	-173.4	0	0	0	0	0	114.5	C166 W170 A171 F172 I198	C166-A168 HydrophobicContact CB-CB 4.43Å; C166-A168 PolarHBondContact O-N 2.78Å; C166-A168 WeakPolarHBondContact SG-CB 3.46Å; A168-W170 PolarHBondContact O-N 3.43Å; A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 WeakPolarHBondContact O-CB 3.48Å; A168-A171 PolarHBondContact O-N 3.43Å; A168-F172 HydrophobicContact CB-CD2 4.19Å; A168-F172 HydrophobicContact CB-CE2 3.99Å; A168-F172 WeakPolarHBondContact O-CD2 3.47Å; A168-F172 PolarHBondContact O-N 2.96Å; A168-I198 HydrophobicContact CB-CD1 3.46Å; A168-I198 VanDerWaalsContact CB-CD1 3.46Å; A168-I198 HydrophobicContact CB-CG1 3.96Å
169	C	97.5	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-47.5	-40.4	-178.9	55.8	0	0	0	0	113.3	A171 F172 S173 H306 A307	C169-A171 VanDerWaalsContact C-N 3.32Å; C169-A171 PolarHBondContact O-N 2.81Å; C169-F172 PolarHBondContact O-N 2.66Å; C169-S173 WeakPolarHBondContact O-CB 3.37Å; C169-S173 PolarHBondContact O-N 2.92Å; C169-H306 WeakPolarHBondContact CB-CE1 3.49Å; C169-H306 WeakPolarHBondContact CB-ND1 3.38Å; C169-H306 PolarHBondContact SG-ND1 3.35Å; C169-A307 HydrophobicContact CB-CB 4.23Å; C169-A307 PolarHBondContact SG-N 3.39Å; C169-A307 VanDerWaalsContact SG-N 3.43Å
170	W	97.5	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-39.3	175.8	66	-88.7	0	0	0	113.1	G167 A168 A174 L197 I198 S201 N206 G208 G211 G212 M214 A217 A307	G167-W170 VanDerWaalsContact O-CD1 3.25Å; G167-W170 PolarHBondContact O-NE1 2.82Å; A168-W170 PolarHBondContact O-N 3.43Å; W170-A174 VanDerWaalsContact O-CB 3.29Å; W170-A174 WeakPolarHBondContact O-CB 3.22Å; W170-A174 PolarHBondContact O-N 2.62Å; W170-L197 HydrophobicContact CH2-CB 4.22Å; W170-L197 WeakPolarHBondContact CH2-O 3.3Å; W170-L197 HydrophobicContact CZ3-CB 4.06Å; W170-I198 HydrophobicContact CZ2-CG1 4.31Å; W170-S201 VanDerWaalsContact CH2-OG 3.28Å; W170-S201 WeakPolarHBondContact CH2-OG 3.17Å; W170-N206 HydrophobicContact CH2-CB 3.58Å; W170-N206 HydrophobicContact CZ2-CB 3.87Å; W170-N206 HydrophobicContact CZ3-CB 4.01Å; W170-N206 WeakPolarHBondContact CZ3-ND2 3.28Å; W170-G208 PolarHBondContact NE1-O 3.14Å; W170-G208 VanDerWaalsContact NE1-O 3.09Å; W170-G211 VanDerWaalsContact NE1-C 3.31Å; W170-G212 WeakPolarHBondContact CB-O 3.38Å; W170-M214 HydrophobicContact CB-SD 4.19Å; W170-A217 HydrophobicContact CE3-CB 4.08Å; W170-A217 HydrophobicContact CZ3-CB 3.82Å; W170-A307 VanDerWaalsContact CA-CB 3.48Å; W170-A307 HydrophobicContact CB-CB 4.24Å
171	A	98.1	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-71.8	-41.4	178.8	0	0	0	0	0	111.1	A168 C169 A174 A175 L197 I198	A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 WeakPolarHBondContact O-CB 3.48Å; A168-A171 PolarHBondContact O-N 3.43Å; C169-A171 VanDerWaalsContact C-N 3.32Å; C169-A171 PolarHBondContact O-N 2.81Å; A171-A174 PolarHBondContact O-N 3.4Å; A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.25Å; A171-L197 HydrophobicContact CB-CB 3.96Å; A171-L197 HydrophobicContact CB-CD1 4.31Å; A171-L197 WeakPolarHBondContact O-CD1 3.27Å; A171-I198 HydrophobicContact CB-CD1 4.26Å; A171-I198 HydrophobicContact CB-CG1 3.74Å
172	F	98.6	Very high	96.3	Very high	19 Å²	19	15 Å²	15	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-42.4	174.8	-75	-83.9	0	0	0	112.1	K161 Q163 A168 C169 G176 Y234	K161-F172 HydrophobicContact CB-CD1 3.7Å; K161-F172 HydrophobicContact CB-CE1 3.54Å; K161-F172 HydrophobicContact CD-CD1 3.85Å; K161-F172 HydrophobicContact CD-CE1 3.75Å; K161-F172 HydrophobicContact CG-CD1 4.35Å; K161-F172 HydrophobicContact CG-CE1 4.28Å; Q163-F172 HydrophobicContact CB-CD2 3.73Å; Q163-F172 HydrophobicContact CB-CE2 3.41Å; Q163-F172 VanDerWaalsContact CB-CE2 3.41Å; Q163-F172 HydrophobicContact CB-CZ 4.12Å; A168-F172 HydrophobicContact CB-CD2 4.19Å; A168-F172 HydrophobicContact CB-CE2 3.99Å; A168-F172 WeakPolarHBondContact O-CD2 3.47Å; A168-F172 PolarHBondContact O-N 2.96Å; C169-F172 PolarHBondContact O-N 2.66Å; F172-G176 PolarHBondContact O-N 3.01Å; F172-Y234 HydrophobicContact CE2-CE1 4.11Å; F172-Y234 AromaticContact CE2-CE2 3.97Å; F172-Y234 HydrophobicContact CE2-CE2 3.97Å; F172-Y234 AromaticContact CE2-CZ 3.69Å; F172-Y234 AromaticContact CZ-CD1 3.85Å; F172-Y234 HydrophobicContact CZ-CD1 3.85Å; F172-Y234 HydrophobicContact CZ-CD2 4.05Å; F172-Y234 AromaticContact CZ-CE1 3.59Å; F172-Y234 HydrophobicContact CZ-CE1 3.59Å; F172-Y234 AromaticContact CZ-CE2 3.86Å; F172-Y234 HydrophobicContact CZ-CE2 3.86Å; F172-Y234 HydrophobicContact CZ-CG 4.07Å; F172-Y234 AromaticContact CZ-CZ 3.6Å
173	S	98.7	Very high	96.1	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-49.7	175.1	177.8	0	0	0	0	110.8	C169 G176 A177 S277 V308	C169-S173 WeakPolarHBondContact O-CB 3.37Å; C169-S173 PolarHBondContact O-N 2.92Å; S173-G176 PolarHBondContact O-N 3.33Å; S173-A177 PolarHBondContact O-N 3.05Å; S173-A177 VanDerWaalsContact O-N 3.07Å; S173-S277 VanDerWaalsContact C-OG 3.27Å; S173-S277 PolarHBondContact O-OG 3.05Å; S173-S277 WeakPolarHBondContact OG-CA 3.44Å; S173-S277 WeakPolarHBondContact OG-CB 3.17Å; S173-S277 PolarHBondContact OG-OG 2.69Å; S173-V308 WeakPolarHBondContact CB-O 3.46Å; S173-V308 PolarHBondContact OG-O 3.49Å
174	A	98.5	Very high	95.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-47.2	179.7	0	0	0	0	0	112.4	W170 A171 G176 A177 L178 L197 M214 A217 F218	W170-A174 VanDerWaalsContact O-CB 3.29Å; W170-A174 WeakPolarHBondContact O-CB 3.22Å; W170-A174 PolarHBondContact O-N 2.62Å; A171-A174 PolarHBondContact O-N 3.4Å; A174-G176 VanDerWaalsContact C-N 3.32Å; A174-G176 PolarHBondContact O-N 3.13Å; A174-A177 PolarHBondContact O-N 3.43Å; A174-L178 WeakPolarHBondContact O-CG 3.48Å; A174-L178 PolarHBondContact O-N 3.37Å; A174-L197 HydrophobicContact CB-CD1 3.98Å; A174-M214 HydrophobicContact CB-CB 4.25Å; A174-M214 HydrophobicContact CB-CG 4.42Å; A174-A217 HydrophobicContact CB-CB 3.72Å; A174-F218 HydrophobicContact CB-CD1 4.22Å; A174-F218 HydrophobicContact CB-CE1 3.6Å; A174-F218 HydrophobicContact CB-CZ 4.11Å; A174-F218 WeakPolarHBondContact O-CE1 3.42Å
175	A	98.4	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-45.3	176.2	0	0	0	0	0	111.1	A171 A177 L178 E179 L192 S194 L197	A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.4Å; A171-A175 PolarHBondContact O-N 3.25Å; A175-A177 PolarHBondContact O-N 3.15Å; A175-L178 PolarHBondContact O-N 3.25Å; A175-E179 WeakPolarHBondContact O-CB 3.41Å; A175-E179 WeakPolarHBondContact O-CG 3.23Å; A175-E179 PolarHBondContact O-N 3.34Å; A175-L192 HydrophobicContact CB-CB 4.4Å; A175-S194 WeakPolarHBondContact CB-OG 3.23Å; A175-L197 HydrophobicContact CB-CD1 4.29Å
176	G	98.4	Very high	94.3	Very high	4 Å²	4	22.7 Å²	22.7	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-37.7	177.9	0	0	0	0	0	114.3	F172 S173 A174 G180	F172-G176 PolarHBondContact O-N 3.01Å; S173-G176 PolarHBondContact O-N 3.33Å; A174-G176 VanDerWaalsContact C-N 3.32Å; A174-G176 PolarHBondContact O-N 3.13Å; G176-G180 PolarHBondContact O-N 3.04Å; G176-G180 VanDerWaalsContact O-N 3.13Å
177	A	98.1	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.9	-40	175.7	0	0	0	0	0	111.9	S173 A174 A175 G180 Q181 F218 S277 L309 P357	S173-A177 PolarHBondContact O-N 3.05Å; S173-A177 VanDerWaalsContact O-N 3.07Å; A174-A177 PolarHBondContact O-N 3.43Å; A175-A177 PolarHBondContact O-N 3.15Å; A177-G180 PolarHBondContact O-N 2.76Å; A177-Q181 PolarHBondContact O-N 3.48Å; A177-Q181 VanDerWaalsContact O-N 3.13Å; A177-F218 HydrophobicContact CB-CE1 4.34Å; A177-F218 HydrophobicContact CB-CZ 4.06Å; A177-S277 VanDerWaalsContact CB-OG 3.3Å; A177-S277 WeakPolarHBondContact CB-OG 3.31Å; A177-L309 HydrophobicContact CB-CD1 3.77Å; A177-P357 HydrophobicContact CB-CG 4.14Å
178	L	97.5	Very high	93.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-41.8	174.3	-70.7	164.1	0	0	0	112	A174 A175 G180 Q181 L182 L192 F218 V221 I226 P357 L359	A174-L178 WeakPolarHBondContact O-CG 3.48Å; A174-L178 PolarHBondContact O-N 3.37Å; A175-L178 PolarHBondContact O-N 3.25Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 3.1Å; L178-Q181 PolarHBondContact O-N 3.43Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 PolarHBondContact O-N 3.32Å; L178-L192 HydrophobicContact CB-CD1 3.44Å; L178-L192 VanDerWaalsContact CB-CD1 3.44Å; L178-F218 HydrophobicContact CD1-CD1 4.17Å; L178-F218 HydrophobicContact CD1-CE1 4.35Å; L178-F218 HydrophobicContact CD2-CD1 4.24Å; L178-F218 HydrophobicContact CG-CD1 4.07Å; L178-F218 HydrophobicContact CG-CE1 4.05Å; L178-V221 HydrophobicContact CD1-CB 4.37Å; L178-V221 HydrophobicContact CD1-CG1 4.2Å; L178-V221 HydrophobicContact CD1-CG2 3.89Å; L178-V221 HydrophobicContact CD2-CG1 4.26Å; L178-I226 HydrophobicContact CD1-CD1 3.96Å; L178-P357 HydrophobicContact CD2-CB 3.76Å; L178-P357 HydrophobicContact CD2-CG 3.62Å; L178-P357 HydrophobicContact CG-CG 3.92Å; L178-L359 HydrophobicContact CD2-CD2 3.61Å
179	E	97.6	Very high	92.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-45.7	174.5	-74	166.6	175.6	0	0	110.9	S158 K161 A175 Q181 L182 K183 F189 E191 L192	S158-E179 WeakPolarHBondContact CB-OE2 3.45Å; S158-E179 PolarHBondContact OG-OE2 3.38Å; K161-E179 IonicContact NZ-OE1 2.58Å; K161-E179 PolarHBondContact NZ-OE1 3.02Å; A175-E179 WeakPolarHBondContact O-CB 3.41Å; A175-E179 WeakPolarHBondContact O-CG 3.23Å; A175-E179 PolarHBondContact O-N 3.34Å; E179-Q181 PolarHBondContact O-N 3.33Å; E179-L182 PolarHBondContact O-N 3.11Å; E179-K183 PolarHBondContact O-N 3.29Å; E179-F189 HydrophobicContact CB-CE2 4.41Å; E179-F189 HydrophobicContact CB-CZ 3.98Å; E179-F189 HydrophobicContact CG-CZ 4.43Å; E179-E191 VanDerWaalsContact OE1-CA 3.31Å; E179-E191 WeakPolarHBondContact OE1-CA 3.49Å; E179-L192 HydrophobicContact CG-CB 3.95Å; E179-L192 HydrophobicContact CG-CD1 3.98Å; E179-L192 HydrophobicContact CG-CG 3.71Å; E179-L192 PolarHBondContact OE1-N 2.85Å
180	G	96.6	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-43.9	176.3	0	0	0	0	0	112.9	V156 G176 A177 L178 N184	V156-G180 WeakPolarHBondContact O-CA 3.44Å; G176-G180 PolarHBondContact O-N 3.04Å; G176-G180 VanDerWaalsContact O-N 3.13Å; A177-G180 PolarHBondContact O-N 2.76Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 3.1Å; G180-N184 WeakPolarHBondContact O-CB 3.22Å; G180-N184 PolarHBondContact O-N 3.25Å; G180-N184 VanDerWaalsContact O-N 3.11Å
181	Q	95.2	Very high	92.8	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.2	-65.5	-50.2	-67.7	0	0	112.5	A177 L178 E179 K183 N184 H273 V356 P357 L359	A177-Q181 PolarHBondContact O-N 3.48Å; A177-Q181 VanDerWaalsContact O-N 3.13Å; L178-Q181 PolarHBondContact O-N 3.43Å; E179-Q181 PolarHBondContact O-N 3.33Å; Q181-K183 VanDerWaalsContact C-N 3.34Å; Q181-N184 PolarHBondContact O-N 2.89Å; Q181-H273 PolarHBondContact NE2-O 2.9Å; Q181-V356 VanDerWaalsContact NE2-CG2 3.35Å; Q181-P357 HydrophobicContact CG-CG 4.12Å; Q181-P357 WeakPolarHBondContact CG-O 3.39Å; Q181-P357 PolarHBondContact OE1-O 2.78Å; Q181-L359 HydrophobicContact CB-CB 4.46Å; Q181-L359 HydrophobicContact CB-CD1 3.5Å; Q181-L359 HydrophobicContact CB-CG 3.54Å; Q181-L359 HydrophobicContact CG-CG 4.27Å
182	L	94	Very high	92.7	Very high	30 Å²	30	35.8 Å²	35.8	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-42.8	-177	-174.9	60.5	0	0	0	110.3	L178 E179 R185 V190 L192 T250 L359	L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 PolarHBondContact O-N 3.32Å; E179-L182 PolarHBondContact O-N 3.11Å; L182-R185 PolarHBondContact O-N 3.22Å; L182-V190 HydrophobicContact CD2-CB 4.37Å; L182-L192 HydrophobicContact CD2-CD2 4.18Å; L182-T250 HydrophobicContact CD1-CG2 4.43Å; L182-L359 HydrophobicContact CB-CD1 3.8Å; L182-L359 HydrophobicContact CD1-CD1 4.14Å; L182-L359 VanDerWaalsContact N-CD1 3.34Å
183	K	92.1	Very high	92.7	Very high	60 Å²	60	34.9 Å²	34.9	26%	0.261	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-39.5	176.1	-176.6	60.8	179.7	173.1	0	112.6	V156 E179 Q181 R185 N186 G187 F189	V156-K183 HydrophobicContact CB-CB 4.15Å; V156-K183 HydrophobicContact CB-CG 4.07Å; V156-K183 HydrophobicContact CG1-CB 4.19Å; V156-K183 HydrophobicContact CG1-CG 3.72Å; E179-K183 PolarHBondContact O-N 3.29Å; Q181-K183 VanDerWaalsContact C-N 3.34Å; K183-R185 PolarHBondContact O-N 2.84Å; K183-N186 PolarHBondContact O-N 3.31Å; K183-G187 WeakPolarHBondContact CD-O 3.23Å; K183-G187 PolarHBondContact NZ-O 2.8Å; K183-F189 HydrophobicContact CB-CD2 3.93Å; K183-F189 HydrophobicContact CB-CE2 4.37Å; K183-F189 HydrophobicContact CD-CB 4.05Å; K183-F189 HydrophobicContact CD-CD2 4.14Å; K183-F189 HydrophobicContact CG-CD2 3.99Å
184	N	84.3	Confident	92.7	Very high	61 Å²	61	34.7 Å²	34.7	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-12.8	177.7	-80.7	-11.5	0	0	0	113.9	V156 G180 Q181 N186	V156-N184 WeakPolarHBondContact CG1-OD1 3.2Å; G180-N184 WeakPolarHBondContact O-CB 3.22Å; G180-N184 PolarHBondContact O-N 3.25Å; G180-N184 VanDerWaalsContact O-N 3.11Å; Q181-N184 PolarHBondContact O-N 2.89Å; N184-N186 PolarHBondContact O-N 3.35Å
185	R	84.4	Confident	92.7	Very high	125 Å²	125	34.7 Å²	34.7	47%	0.472	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	17.4	172.7	-66.6	178	155	-170.4	-13.2	114.3	L182 K183 G187 L359	L182-R185 PolarHBondContact O-N 3.22Å; K183-R185 PolarHBondContact O-N 2.84Å; R185-G187 VanDerWaalsContact C-N 3.25Å; R185-G187 PolarHBondContact O-N 3.42Å; R185-L359 PolarHBondContact NH1-OXT 3.01Å; R185-L359 PolarHBondContact NH2-O 2.98Å; R185-L359 PolarHBondContact NH2-OXT 3.15Å
186	N	73.7	Confident	92.7	Very high	159 Å²	159	34.7 Å²	34.7	85%	0.85	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	24.4	-177.9	-62.8	-28	0	0	0	114.9	K183 N184	K183-N186 PolarHBondContact O-N 3.31Å; N184-N186 PolarHBondContact O-N 3.35Å
187	G	75.5	Confident	92.7	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-84.9	174	174.1	0	0	0	0	0	113.9	K183 R185	K183-G187 WeakPolarHBondContact CD-O 3.23Å; K183-G187 PolarHBondContact NZ-O 2.8Å; R185-G187 VanDerWaalsContact C-N 3.25Å; R185-G187 PolarHBondContact O-N 3.42Å
188	P	85.1	Confident	92.7	Very high	104 Å²	104	34.5 Å²	34.5	68%	0.675	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-59.5	149.5	161.9	28.5	-33.7	0	0	0	109.7	V190	P188-V190 HydrophobicContact CG-CG2 4.43Å; P188-V190 PolarHBondContact O-N 3.06Å
189	F	91.4	Very high	92.8	Very high	64 Å²	64	35 Å²	35	28%	0.281	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-72.7	128.5	172.3	-169.9	-82.7	0	0	0	108.5	G155 S158 E179 K183 E191	G155-F189 WeakPolarHBondContact O-CD2 3.41Å; S158-F189 VanDerWaalsContact CB-CZ 3.46Å; E179-F189 HydrophobicContact CB-CE2 4.41Å; E179-F189 HydrophobicContact CB-CZ 3.98Å; E179-F189 HydrophobicContact CG-CZ 4.43Å; K183-F189 HydrophobicContact CB-CD2 3.93Å; K183-F189 HydrophobicContact CB-CE2 4.37Å; K183-F189 HydrophobicContact CD-CB 4.05Å; K183-F189 HydrophobicContact CD-CD2 4.14Å; K183-F189 HydrophobicContact CG-CD2 3.99Å; F189-E191 HydrophobicContact CE1-CG 3.88Å
190	V	94.3	Very high	92.8	Very high	45 Å²	45	35.5 Å²	35.5	27%	0.273	19%	0.187	S	C	.	.			trans	-131.5	127.2	177.7	-175.8	0	0	0	0	108.6	L182 P188 L249	L182-V190 HydrophobicContact CD2-CB 4.37Å; P188-V190 HydrophobicContact CG-CG2 4.43Å; P188-V190 PolarHBondContact O-N 3.06Å; V190-L249 HydrophobicContact CB-CD1 4.36Å; V190-L249 HydrophobicContact CG1-CD1 3.52Å
191	E	97.3	Very high	92.8	Very high	41 Å²	41	35.5 Å²	35.5	19%	0.192	19%	0.187	C	C	.	.			trans	-73.7	134.4	172.3	-67.3	-174.4	168.2	0	0	109.9	K159 E179 F189 S228 E229	K159-E191 WeakPolarHBondContact CD-OE1 3.43Å; K159-E191 VanDerWaalsContact CE-OE1 3.26Å; K159-E191 WeakPolarHBondContact CE-OE1 3.37Å; K159-E191 VanDerWaalsContact CE-OE2 3.28Å; K159-E191 WeakPolarHBondContact CE-OE2 3.35Å; K159-E191 VanDerWaalsContact CG-OE1 3.3Å; K159-E191 WeakPolarHBondContact CG-OE1 3.46Å; K159-E191 IonicContact NZ-OE2 3.99Å; E179-E191 VanDerWaalsContact OE1-CA 3.31Å; E179-E191 WeakPolarHBondContact OE1-CA 3.49Å; F189-E191 HydrophobicContact CE1-CG 3.88Å; E191-S228 CarbonylContact O-C 3.55Å; E191-S228 VanDerWaalsContact O-CA 3.26Å; E191-S228 WeakPolarHBondContact O-CA 3.46Å; E191-E229 HydrophobicContact CB-CB 3.9Å; E191-E229 PolarHBondContact O-N 3.21Å
192	L	97.8	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-100.2	149.1	-177.1	-62.8	177.7	0	0	0	111.1	K161 A175 L178 E179 L182 S194 I226 L249	K161-L192 PolarHBondContact NZ-O 3.05Å; A175-L192 HydrophobicContact CB-CB 4.4Å; L178-L192 HydrophobicContact CB-CD1 3.44Å; L178-L192 VanDerWaalsContact CB-CD1 3.44Å; E179-L192 HydrophobicContact CG-CB 3.95Å; E179-L192 HydrophobicContact CG-CD1 3.98Å; E179-L192 HydrophobicContact CG-CG 3.71Å; E179-L192 PolarHBondContact OE1-N 2.85Å; L182-L192 HydrophobicContact CD2-CD2 4.18Å; L192-S194 PolarHBondContact O-N 3.48Å; L192-I226 HydrophobicContact CB-CD1 3.87Å; L192-I226 HydrophobicContact CB-CG1 4.22Å; L192-I226 HydrophobicContact CD1-CD1 4.35Å; L192-I226 HydrophobicContact CD1-CG2 3.92Å; L192-I226 HydrophobicContact CD2-CG2 4.08Å; L192-I226 HydrophobicContact CG-CG2 4.47Å; L192-L249 HydrophobicContact CD2-CD1 4.22Å
193	S	98.2	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.			trans	-73.2	107.8	-174.4	179.5	0	0	0	0	111.9	Q195 Q196 Q227 Y232	S193-Q195 VanDerWaalsContact C-N 3.25Å; S193-Q195 PolarHBondContact OG-N 3.45Å; S193-Q196 PolarHBondContact OG-N 3.38Å; S193-Q227 PolarHBondContact N-O 2.97Å; S193-Y232 VanDerWaalsContact CB-O 3.29Å; S193-Y232 WeakPolarHBondContact CB-O 3.43Å; S193-Y232 WeakPolarHBondContact OG-CB 3.35Å; S193-Y232 PolarHBondContact OG-O 3.47Å
194	S	98.3	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-29.2	167	-56.9	0	0	0	0	111.3	A175 L192 L197 I198	A175-S194 WeakPolarHBondContact CB-OG 3.23Å; L192-S194 PolarHBondContact O-N 3.48Å; S194-L197 WeakPolarHBondContact O-CB 3.28Å; S194-L197 PolarHBondContact O-N 3.45Å; S194-I198 WeakPolarHBondContact O-CD1 3.06Å; S194-I198 VanDerWaalsContact O-CG1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.43Å; S194-I198 PolarHBondContact O-N 3.14Å; S194-I198 VanDerWaalsContact O-N 3.09Å
195	Q	98.4	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-43.4	177.6	-167.1	64.4	46.3	0	0	112.8	S193 L197 I198 D199 Y232 P233 Y234 L235 K237	S193-Q195 VanDerWaalsContact C-N 3.25Å; S193-Q195 PolarHBondContact OG-N 3.45Å; Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 PolarHBondContact O-N 3.34Å; Q195-I198 WeakPolarHBondContact O-CB 2.97Å; Q195-I198 PolarHBondContact O-N 2.77Å; Q195-I198 VanDerWaalsContact O-N 3.16Å; Q195-D199 PolarHBondContact NE2-OD1 2.74Å; Q195-D199 PolarHBondContact NE2-OD2 3.21Å; Q195-D199 PolarHBondContact O-N 3.29Å; Q195-Y232 HydrophobicContact CB-CD1 3.85Å; Q195-Y232 HydrophobicContact CB-CE1 3.99Å; Q195-Y232 HydrophobicContact CG-CD1 3.8Å; Q195-Y232 HydrophobicContact CG-CE1 3.48Å; Q195-Y232 VanDerWaalsContact CG-CE1 3.48Å; Q195-P233 WeakPolarHBondContact CB-O 3.4Å; Q195-P233 WeakPolarHBondContact CG-O 3.22Å; Q195-Y234 HydrophobicContact CB-CD2 4.34Å; Q195-L235 HydrophobicContact CG-CD1 4.46Å; Q195-L235 HydrophobicContact CG-CG 4.21Å; Q195-K237 PolarHBondContact NE2-O 3.34Å
196	Q	98.5	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-42.5	176.5	-176.9	-170.6	-28.5	0	0	111	S193 D199 C200 Y220 G225 Y232 H243	S193-Q196 PolarHBondContact OG-N 3.38Å; Q196-D199 PolarHBondContact O-N 3.2Å; Q196-C200 HydrophobicContact CG-CB 4.5Å; Q196-C200 WeakPolarHBondContact O-CB 3.47Å; Q196-C200 PolarHBondContact O-N 3.46Å; Q196-Y220 HydrophobicContact CG-CE1 4.19Å; Q196-Y220 WeakPolarHBondContact CG-OH 3.43Å; Q196-Y220 PolarHBondContact NE2-OH 3.37Å; Q196-G225 PolarHBondContact NE2-O 3.03Å; Q196-Y232 HydrophobicContact CB-CD2 3.79Å; Q196-Y232 HydrophobicContact CB-CE2 4Å; Q196-Y232 HydrophobicContact CB-CG 4.23Å; Q196-Y232 HydrophobicContact CG-CD2 4.12Å; Q196-Y232 HydrophobicContact CG-CE2 4.13Å; Q196-H243 HydrophobicContact CG-CB 4.2Å; Q196-H243 PolarHBondContact NE2-ND1 2.98Å; Q196-H243 VanDerWaalsContact NE2-ND1 3.2Å
197	L	98.5	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-48	177.1	-61.8	179.7	0	0	0	110.4	W170 A171 A174 A175 S194 Q195 D199 S201 A217 Y220 V221 I226	W170-L197 HydrophobicContact CH2-CB 4.22Å; W170-L197 WeakPolarHBondContact CH2-O 3.3Å; W170-L197 HydrophobicContact CZ3-CB 4.06Å; A171-L197 HydrophobicContact CB-CB 3.96Å; A171-L197 HydrophobicContact CB-CD1 4.31Å; A171-L197 WeakPolarHBondContact O-CD1 3.27Å; A174-L197 HydrophobicContact CB-CD1 3.98Å; A175-L197 HydrophobicContact CB-CD1 4.29Å; S194-L197 WeakPolarHBondContact O-CB 3.28Å; S194-L197 PolarHBondContact O-N 3.45Å; Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 PolarHBondContact O-N 3.34Å; L197-D199 PolarHBondContact O-N 3.14Å; L197-S201 WeakPolarHBondContact O-CB 3.49Å; L197-S201 PolarHBondContact O-N 3.26Å; L197-S201 PolarHBondContact O-OG 3.4Å; L197-A217 HydrophobicContact CD1-CB 4.28Å; L197-A217 HydrophobicContact CD2-CB 4.24Å; L197-Y220 HydrophobicContact CD2-CD1 3.71Å; L197-Y220 HydrophobicContact CD2-CE1 4.04Å; L197-V221 HydrophobicContact CD2-CG2 3.67Å; L197-I226 HydrophobicContact CD1-CD1 4.19Å; L197-I226 HydrophobicContact CD2-CD1 4Å; L197-I226 HydrophobicContact CG-CD1 4.05Å
198	I	98.1	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-50.5	178.4	-67.3	162.8	0	0	0	110.8	A168 W170 A171 S194 Q195 H202 Y234 E238	A168-I198 HydrophobicContact CB-CD1 3.46Å; A168-I198 VanDerWaalsContact CB-CD1 3.46Å; A168-I198 HydrophobicContact CB-CG1 3.96Å; W170-I198 HydrophobicContact CZ2-CG1 4.31Å; A171-I198 HydrophobicContact CB-CD1 4.26Å; A171-I198 HydrophobicContact CB-CG1 3.74Å; S194-I198 WeakPolarHBondContact O-CD1 3.06Å; S194-I198 VanDerWaalsContact O-CG1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.43Å; S194-I198 PolarHBondContact O-N 3.14Å; S194-I198 VanDerWaalsContact O-N 3.09Å; Q195-I198 WeakPolarHBondContact O-CB 2.97Å; Q195-I198 PolarHBondContact O-N 2.77Å; Q195-I198 VanDerWaalsContact O-N 3.16Å; I198-H202 PolarHBondContact O-NE2 2.79Å; I198-Y234 HydrophobicContact CD1-CD2 4.15Å; I198-Y234 HydrophobicContact CD1-CE2 3.46Å; I198-Y234 VanDerWaalsContact CD1-CE2 3.46Å; I198-E238 HydrophobicContact CG2-CB 4.25Å; I198-E238 HydrophobicContact CG2-CG 4.26Å
199	D	98.4	Very high	96.5	Very high	10 Å²	10	26 Å²	26	5%	0.053	15%	0.146	C	C	.	.	H	α-helix	trans	-79.4	-29.8	-171.5	-64.1	-10.5	0	0	0	113.6	Q195 Q196 L197 Y232 G239 C241	Q195-D199 PolarHBondContact NE2-OD1 2.74Å; Q195-D199 PolarHBondContact NE2-OD2 3.21Å; Q195-D199 PolarHBondContact O-N 3.29Å; Q196-D199 PolarHBondContact O-N 3.2Å; L197-D199 PolarHBondContact O-N 3.14Å; D199-Y232 WeakPolarHBondContact CB-OH 3.2Å; D199-Y232 WeakPolarHBondContact OD2-CE1 3.42Å; D199-Y232 PolarHBondContact OD2-OH 3.33Å; D199-G239 WeakPolarHBondContact OD1-CA 3.48Å; D199-G239 PolarHBondContact OD1-N 2.8Å; D199-C241 HydrophobicContact CB-CB 4.42Å
200	C	98.4	Very high	96.5	Very high	14 Å²	14	29.8 Å²	29.8	10%	0.095	17%	0.169	C	C	.	.	H	α-helix	trans	-112.3	-14.7	-164	-59.9	0	0	0	0	115.2	Q196 H202 Y220 C241	Q196-C200 HydrophobicContact CG-CB 4.5Å; Q196-C200 WeakPolarHBondContact O-CB 3.47Å; Q196-C200 PolarHBondContact O-N 3.46Å; C200-H202 PolarHBondContact O-N 3.03Å; C200-Y220 HydrophobicContact CB-CE1 4.34Å; C200-Y220 HydrophobicContact CB-CE2 3.7Å; C200-Y220 WeakPolarHBondContact CB-OH 3.35Å; C200-C241 HydrophobicContact CB-CB 3.95Å; C200-C241 WeakPolarHBondContact CB-SG 3.45Å; C200-C241 WeakPolarHBondContact SG-CA 3.31Å; C200-C241 WeakPolarHBondContact SG-CB 3.33Å; C200-C241 CovalentContact SG-SG 2.04Å; C200-C241 PolarHBondContact SG-SG 2.67Å
201	S	97.8	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.			trans	-93.1	13.7	-173.1	68.9	0	0	0	0	114.9	W170 L197 S203 F204 N206	W170-S201 VanDerWaalsContact CH2-OG 3.28Å; W170-S201 WeakPolarHBondContact CH2-OG 3.17Å; L197-S201 WeakPolarHBondContact O-CB 3.49Å; L197-S201 PolarHBondContact O-N 3.26Å; L197-S201 PolarHBondContact O-OG 3.4Å; S201-S203 VanDerWaalsContact C-N 3.31Å; S201-S203 PolarHBondContact O-N 3.49Å; S201-F204 WeakPolarHBondContact O-CB 3.38Å; S201-F204 PolarHBondContact O-N 3.18Å; S201-N206 PolarHBondContact O-N 3.31Å; S201-N206 WeakPolarHBondContact OG-CB 3.18Å; S201-N206 PolarHBondContact OG-ND2 3.44Å
202	H	96.8	Very high	96.3	Very high	73 Å²	73	25.7 Å²	25.7	34%	0.338	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-57	-41.4	178.6	-75.1	-98	0	0	0	113.5	I198 C200 F204 G205 N206 E238	I198-H202 PolarHBondContact O-NE2 2.79Å; C200-H202 PolarHBondContact O-N 3.03Å; H202-F204 PolarHBondContact O-N 3.24Å; H202-F204 VanDerWaalsContact O-N 3.12Å; H202-G205 PolarHBondContact O-N 3.42Å; H202-N206 VanDerWaalsContact CA-O 3.3Å; H202-N206 WeakPolarHBondContact CA-O 3.41Å; H202-N206 PolarHBondContact ND1-O 2.94Å; H202-E238 IonicContact CE1-OE1 3.39Å; H202-E238 PolarHBondContact CE1-OE1 2.77Å; H202-E238 IonicContact CE1-OE2 3.12Å; H202-E238 IonicContact NE2-OE1 3.56Å; H202-E238 PolarHBondContact NE2-OE1 3.25Å; H202-E238 VanDerWaalsContact NE2-OE1 3.1Å; H202-E238 IonicContact NE2-OE2 3.1Å
203	S	95.9	Very high	96.2	Very high	102 Å²	102	25.8 Å²	25.8	71%	0.713	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-64.9	-14.9	177.7	62.8	0	0	0	0	114	S201	S201-S203 VanDerWaalsContact C-N 3.31Å; S201-S203 PolarHBondContact O-N 3.49Å
204	F	94.4	Very high	96.1	Very high	49 Å²	49	25.8 Å²	25.8	22%	0.215	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-95.5	0.4	174.7	-69.5	-98	0	0	0	112.7	S201 H202 N216 R219 Y220 K223	S201-F204 WeakPolarHBondContact O-CB 3.38Å; S201-F204 PolarHBondContact O-N 3.18Å; H202-F204 PolarHBondContact O-N 3.24Å; H202-F204 VanDerWaalsContact O-N 3.12Å; F204-N216 HydrophobicContact CB-CB 4.33Å; F204-N216 WeakPolarHBondContact O-CB 3.3Å; F204-N216 PolarHBondContact O-ND2 3.45Å; F204-N216 PolarHBondContact O-OD1 2.97Å; F204-R219 HydrophobicContact CD1-CB 3.77Å; F204-R219 VanDerWaalsContact CE1-C 3.49Å; F204-R219 HydrophobicContact CE1-CB 4.04Å; F204-R219 VanDerWaalsContact CE1-O 3.27Å; F204-R219 WeakPolarHBondContact CE1-O 3.05Å; F204-Y220 AromaticContact CD2-CD2 3.93Å; F204-Y220 HydrophobicContact CD2-CD2 3.93Å; F204-Y220 HydrophobicContact CD2-CG 4.32Å; F204-Y220 AromaticContact CE2-CD2 3.74Å; F204-Y220 HydrophobicContact CE2-CD2 3.74Å; F204-Y220 HydrophobicContact CE2-CG 4.36Å; F204-K223 HydrophobicContact CE2-CD 4.27Å; F204-K223 HydrophobicContact CZ-CB 3.87Å; F204-K223 HydrophobicContact CZ-CD 3.63Å; F204-K223 HydrophobicContact CZ-CG 4.41Å
205	G	93.5	Very high	96	Very high	28 Å²	28	25.8 Å²	25.8	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	7.8	174.9	0	0	0	0	0	115	Y120 H202 H207	Y120-G205 VanDerWaalsContact CE1-O 3.28Å; Y120-G205 WeakPolarHBondContact CE1-O 3.47Å; H202-G205 PolarHBondContact O-N 3.42Å; G205-H207 PolarHBondContact O-CE1 2.92Å; G205-H207 PolarHBondContact O-ND1 3.04Å
206	N	95.3	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.			trans	-83.7	161.7	170.7	-64.9	-30.9	0	0	0	111.2	W170 S201 H202 G212 D213 N216 A217	W170-N206 HydrophobicContact CH2-CB 3.58Å; W170-N206 HydrophobicContact CZ2-CB 3.87Å; W170-N206 HydrophobicContact CZ3-CB 4.01Å; W170-N206 WeakPolarHBondContact CZ3-ND2 3.28Å; S201-N206 PolarHBondContact O-N 3.31Å; S201-N206 WeakPolarHBondContact OG-CB 3.18Å; S201-N206 PolarHBondContact OG-ND2 3.44Å; H202-N206 VanDerWaalsContact CA-O 3.3Å; H202-N206 WeakPolarHBondContact CA-O 3.41Å; H202-N206 PolarHBondContact ND1-O 2.94Å; N206-G212 VanDerWaalsContact OD1-CA 3.29Å; N206-G212 WeakPolarHBondContact OD1-CA 3.49Å; N206-D213 PolarHBondContact OD1-N 2.72Å; N206-D213 PolarHBondContact OD1-O 2.79Å; N206-N216 WeakPolarHBondContact OD1-CB 3.17Å; N206-A217 PolarHBondContact ND2-N 3.48Å
207	H	95.2	Very high	95.8	Very high	90 Å²	90	27 Å²	27	42%	0.417	15%	0.153	S	C	.	.			trans	-134	41.5	-175	-57	90.2	0	0	0	111.2	Y120 G205 C209 L210 G211	Y120-H207 AromaticContact CE1-ND1 3.95Å; Y120-H207 AromaticContact CZ-ND1 3.9Å; Y120-H207 PolarHBondContact OH-ND1 3.49Å; G205-H207 PolarHBondContact O-CE1 2.92Å; G205-H207 PolarHBondContact O-ND1 3.04Å; H207-C209 PolarHBondContact O-N 2.85Å; H207-L210 HydrophobicContact CB-CB 4.04Å; H207-L210 WeakPolarHBondContact O-CA 3.4Å; H207-L210 WeakPolarHBondContact O-CB 3.34Å; H207-L210 PolarHBondContact O-N 3.16Å; H207-G211 CarbonylContact C-O 3.55Å; H207-G211 WeakPolarHBondContact CA-O 3.49Å; H207-G211 PolarHBondContact N-O 2.88Å
208	G	94.7	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	50.6	-119.6	177.5	0	0	0	0	0	113.3	W170 L210 G211 E238	W170-G208 PolarHBondContact NE1-O 3.14Å; W170-G208 VanDerWaalsContact NE1-O 3.09Å; G208-L210 VanDerWaalsContact C-N 3.28Å; G208-L210 PolarHBondContact O-N 3.34Å; G208-G211 PolarHBondContact O-N 2.96Å; G208-E238 WeakPolarHBondContact CA-OE2 3.29Å
209	C	94.3	Very high	95.6	Very high	30 Å²	30	30.2 Å²	30.2	20%	0.203	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-75.4	-10.1	179.4	-70.7	0	0	0	0	114.6	C166 G167 H207 E238	C166-C209 HydrophobicContact CB-CB 3.95Å; C166-C209 WeakPolarHBondContact CB-SG 3.2Å; C166-C209 WeakPolarHBondContact SG-CA 3.29Å; C166-C209 WeakPolarHBondContact SG-CB 3.2Å; C166-C209 CovalentContact SG-SG 2.04Å; C166-C209 PolarHBondContact SG-SG 3.19Å; G167-C209 WeakPolarHBondContact CA-O 3.48Å; G167-C209 PolarHBondContact N-O 3.42Å; H207-C209 PolarHBondContact O-N 2.85Å; C209-E238 PolarHBondContact SG-N 3.25Å
210	L	92.1	Very high	95.6	Very high	144 Å²	144	30 Å²	30	75%	0.754	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-84.3	-2.8	173.9	-56.9	176.9	0	0	0	112.5	H207 G208	H207-L210 HydrophobicContact CB-CB 4.04Å; H207-L210 WeakPolarHBondContact O-CA 3.4Å; H207-L210 WeakPolarHBondContact O-CB 3.34Å; H207-L210 PolarHBondContact O-N 3.16Å; G208-L210 VanDerWaalsContact C-N 3.28Å; G208-L210 PolarHBondContact O-N 3.34Å
211	G	93.3	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.			trans	114.1	176.7	176.5	0	0	0	0	0	113.9	Y120 W170 H207 G208	Y120-G211 PolarHBondContact OH-O 2.87Å; W170-G211 VanDerWaalsContact NE1-C 3.31Å; H207-G211 CarbonylContact C-O 3.55Å; H207-G211 WeakPolarHBondContact CA-O 3.49Å; H207-G211 PolarHBondContact N-O 2.88Å; G208-G211 PolarHBondContact O-N 2.96Å
212	G	94.5	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.			trans	178.8	-173	-172.6	0	0	0	0	0	111.2	Y120 W170 N206	Y120-G212 PolarHBondContact OH-N 3.43Å; W170-G212 WeakPolarHBondContact CB-O 3.38Å; N206-G212 VanDerWaalsContact OD1-CA 3.29Å; N206-G212 WeakPolarHBondContact OD1-CA 3.49Å
213	D	94.7	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.			trans	-131.8	135.5	-173.4	179.8	55.2	0	0	0	110.9	Y120 R124 N206 N215 N216 A217 M353	Y120-D213 HydrophobicContact CD1-CB 3.94Å; Y120-D213 HydrophobicContact CG-CB 3.89Å; R124-D213 IonicContact CZ-OD1 3.64Å; R124-D213 IonicContact CZ-OD2 3.82Å; R124-D213 IonicContact NE-OD2 2.81Å; R124-D213 IonicContact NH2-OD1 3.61Å; R124-D213 PolarHBondContact NH2-OD1 2.83Å; R124-D213 IonicContact NH2-OD2 2.99Å; R124-D213 PolarHBondContact NH2-OD2 3.45Å; N206-D213 PolarHBondContact OD1-N 2.72Å; N206-D213 PolarHBondContact OD1-O 2.79Å; D213-N215 VanDerWaalsContact C-N 3.29Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 WeakPolarHBondContact OD2-CB 3.23Å; D213-N215 PolarHBondContact OD2-N 3.26Å; D213-N216 HydrophobicContact CB-CB 4.13Å; D213-N216 PolarHBondContact O-N 2.89Å; D213-N216 PolarHBondContact OD2-N 3.1Å; D213-A217 PolarHBondContact O-N 3.14Å; D213-M353 VanDerWaalsContact OD1-CE 3.23Å; D213-M353 WeakPolarHBondContact OD1-CE 3.04Å
214	M	97	Very high	95.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-36.6	-177.4	-57.7	79.7	74.8	0	0	111.3	L117 W170 A174 A217 F218 A307	L117-M214 HydrophobicContact CD2-CE 4.2Å; L117-M214 HydrophobicContact CD2-SD 3.93Å; W170-M214 HydrophobicContact CB-SD 4.19Å; A174-M214 HydrophobicContact CB-CB 4.25Å; A174-M214 HydrophobicContact CB-CG 4.42Å; M214-A217 VanDerWaalsContact O-CB 3.31Å; M214-A217 WeakPolarHBondContact O-CB 3.41Å; M214-A217 PolarHBondContact O-N 3.5Å; M214-F218 HydrophobicContact CB-CE2 3.99Å; M214-F218 HydrophobicContact CB-CZ 4.06Å; M214-F218 WeakPolarHBondContact O-CD2 3.34Å; M214-F218 WeakPolarHBondContact O-CG 3.33Å; M214-F218 PolarHBondContact O-N 2.83Å; M214-A307 HydrophobicContact CE-CB 4.3Å; M214-A307 HydrophobicContact CG-CB 4.4Å; M214-A307 HydrophobicContact SD-CB 3.56Å; M214-A307 VanDerWaalsContact SD-CB 3.56Å
215	N	95.1	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.3	-36.3	178.4	-71.4	8.3	0	0	0	112.5	R124 D213 A217 F218 R219 I255 E257 S355	R124-N215 VanDerWaalsContact CZ-ND2 3.25Å; R124-N215 PolarHBondContact NH1-ND2 2.98Å; D213-N215 VanDerWaalsContact C-N 3.29Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 WeakPolarHBondContact OD2-CB 3.23Å; D213-N215 PolarHBondContact OD2-N 3.26Å; N215-A217 VanDerWaalsContact C-N 3.28Å; N215-A217 PolarHBondContact O-N 3.35Å; N215-F218 PolarHBondContact O-N 3.3Å; N215-R219 VanDerWaalsContact O-CG 3.3Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.34Å; N215-I255 HydrophobicContact CB-CD1 4.04Å; N215-E257 VanDerWaalsContact ND2-CG 3.32Å; N215-E257 WeakPolarHBondContact ND2-CG 3.42Å; N215-E257 PolarHBondContact ND2-OE1 3.38Å; N215-E257 VanDerWaalsContact ND2-OE1 3.09Å; N215-E257 PolarHBondContact ND2-OE2 3.44Å; N215-S355 WeakPolarHBondContact OD1-CB 3.38Å; N215-S355 PolarHBondContact OD1-OG 2.96Å
216	N	95.4	Very high	95.9	Very high	25 Å²	25	29.6 Å²	29.6	13%	0.134	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-39.2	171.1	-69.4	-14.9	0	0	0	111.2	F204 N206 D213 R219 Y220	F204-N216 HydrophobicContact CB-CB 4.33Å; F204-N216 WeakPolarHBondContact O-CB 3.3Å; F204-N216 PolarHBondContact O-ND2 3.45Å; F204-N216 PolarHBondContact O-OD1 2.97Å; N206-N216 WeakPolarHBondContact OD1-CB 3.17Å; D213-N216 HydrophobicContact CB-CB 4.13Å; D213-N216 PolarHBondContact O-N 2.89Å; D213-N216 PolarHBondContact OD2-N 3.1Å; N216-R219 PolarHBondContact O-N 3.25Å; N216-Y220 PolarHBondContact O-N 3.49Å
217	A	97.8	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-45.4	173.8	0	0	0	0	0	111.7	W170 A174 L197 N206 D213 M214 N215 R219 Y220 V221	W170-A217 HydrophobicContact CE3-CB 4.08Å; W170-A217 HydrophobicContact CZ3-CB 3.82Å; A174-A217 HydrophobicContact CB-CB 3.72Å; L197-A217 HydrophobicContact CD1-CB 4.28Å; L197-A217 HydrophobicContact CD2-CB 4.24Å; N206-A217 PolarHBondContact ND2-N 3.48Å; D213-A217 PolarHBondContact O-N 3.14Å; M214-A217 VanDerWaalsContact O-CB 3.31Å; M214-A217 WeakPolarHBondContact O-CB 3.41Å; M214-A217 PolarHBondContact O-N 3.5Å; N215-A217 VanDerWaalsContact C-N 3.28Å; N215-A217 PolarHBondContact O-N 3.35Å; A217-R219 PolarHBondContact O-N 2.86Å; A217-Y220 WeakPolarHBondContact O-CB 3.44Å; A217-Y220 PolarHBondContact O-N 3.26Å; A217-V221 WeakPolarHBondContact O-CG2 3.39Å; A217-V221 PolarHBondContact O-N 2.85Å
218	F	97.5	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-41	176.4	-57.9	-35	0	0	0	112.5	A174 A177 L178 M214 N215 Y220 V221 E222 S252 I255 P357	A174-F218 HydrophobicContact CB-CD1 4.22Å; A174-F218 HydrophobicContact CB-CE1 3.6Å; A174-F218 HydrophobicContact CB-CZ 4.11Å; A174-F218 WeakPolarHBondContact O-CE1 3.42Å; A177-F218 HydrophobicContact CB-CE1 4.34Å; A177-F218 HydrophobicContact CB-CZ 4.06Å; L178-F218 HydrophobicContact CD1-CD1 4.17Å; L178-F218 HydrophobicContact CD1-CE1 4.35Å; L178-F218 HydrophobicContact CD2-CD1 4.24Å; L178-F218 HydrophobicContact CG-CD1 4.07Å; L178-F218 HydrophobicContact CG-CE1 4.05Å; M214-F218 HydrophobicContact CB-CE2 3.99Å; M214-F218 HydrophobicContact CB-CZ 4.06Å; M214-F218 WeakPolarHBondContact O-CD2 3.34Å; M214-F218 WeakPolarHBondContact O-CG 3.33Å; M214-F218 PolarHBondContact O-N 2.83Å; N215-F218 PolarHBondContact O-N 3.3Å; F218-Y220 VanDerWaalsContact C-N 3.34Å; F218-Y220 PolarHBondContact O-N 3.06Å; F218-V221 CarbonylContact O-C 3.52Å; F218-V221 PolarHBondContact O-N 2.77Å; F218-V221 VanDerWaalsContact O-N 3.16Å; F218-E222 PolarHBondContact O-N 3.44Å; F218-S252 WeakPolarHBondContact O-CB 3.13Å; F218-I255 HydrophobicContact CB-CD1 3.66Å; F218-I255 HydrophobicContact CB-CG1 3.81Å; F218-I255 HydrophobicContact CD2-CD1 4.19Å; F218-I255 HydrophobicContact CD2-CG1 4.13Å; F218-I255 HydrophobicContact CD2-CG2 4.11Å; F218-I255 HydrophobicContact CG-CD1 4.45Å; F218-I255 HydrophobicContact CG-CG1 4.41Å; F218-P357 HydrophobicContact CB-CB 4.44Å; F218-P357 HydrophobicContact CD1-CB 3.78Å; F218-P357 HydrophobicContact CD1-CG 3.86Å; F218-P357 HydrophobicContact CD2-CB 4.23Å; F218-P357 HydrophobicContact CE1-CB 4.03Å; F218-P357 HydrophobicContact CE1-CG 3.6Å; F218-P357 HydrophobicContact CE2-CB 4.48Å; F218-P357 HydrophobicContact CE2-CG 4.4Å; F218-P357 HydrophobicContact CG-CB 3.9Å; F218-P357 HydrophobicContact CG-CG 4.38Å; F218-P357 HydrophobicContact CZ-CB 4.4Å; F218-P357 HydrophobicContact CZ-CG 3.92Å
219	R	96.1	Very high	96.2	Very high	68 Å²	68	28 Å²	28	26%	0.257	14%	0.136	S	C	.	.	H	α-helix	trans	-64.8	-35.9	174.8	-70.7	174.4	-170	-163.6	0.2	112.7	F204 N215 N216 A217 E222 K223 I255	F204-R219 HydrophobicContact CD1-CB 3.77Å; F204-R219 VanDerWaalsContact CE1-C 3.49Å; F204-R219 HydrophobicContact CE1-CB 4.04Å; F204-R219 VanDerWaalsContact CE1-O 3.27Å; F204-R219 WeakPolarHBondContact CE1-O 3.05Å; N215-R219 VanDerWaalsContact O-CG 3.3Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.34Å; N216-R219 PolarHBondContact O-N 3.25Å; A217-R219 PolarHBondContact O-N 2.86Å; R219-E222 WeakPolarHBondContact O-CB 3.43Å; R219-E222 PolarHBondContact O-N 3.27Å; R219-K223 PolarHBondContact O-N 2.97Å; R219-I255 HydrophobicContact CG-CD1 4.01Å
220	Y	97.7	Very high	96.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-48.4	170.1	163.6	-99.7	0	0	0	110.9	Q196 L197 C200 F204 N216 A217 F218 E222 K223 D224	Q196-Y220 HydrophobicContact CG-CE1 4.19Å; Q196-Y220 WeakPolarHBondContact CG-OH 3.43Å; Q196-Y220 PolarHBondContact NE2-OH 3.37Å; L197-Y220 HydrophobicContact CD2-CD1 3.71Å; L197-Y220 HydrophobicContact CD2-CE1 4.04Å; C200-Y220 HydrophobicContact CB-CE1 4.34Å; C200-Y220 HydrophobicContact CB-CE2 3.7Å; C200-Y220 WeakPolarHBondContact CB-OH 3.35Å; F204-Y220 AromaticContact CD2-CD2 3.93Å; F204-Y220 HydrophobicContact CD2-CD2 3.93Å; F204-Y220 HydrophobicContact CD2-CG 4.32Å; F204-Y220 AromaticContact CE2-CD2 3.74Å; F204-Y220 HydrophobicContact CE2-CD2 3.74Å; F204-Y220 HydrophobicContact CE2-CG 4.36Å; N216-Y220 PolarHBondContact O-N 3.49Å; A217-Y220 WeakPolarHBondContact O-CB 3.44Å; A217-Y220 PolarHBondContact O-N 3.26Å; F218-Y220 VanDerWaalsContact C-N 3.34Å; F218-Y220 PolarHBondContact O-N 3.06Å; Y220-E222 VanDerWaalsContact C-N 3.26Å; Y220-E222 PolarHBondContact O-N 3.07Å; Y220-K223 PolarHBondContact O-N 3.24Å; Y220-D224 HydrophobicContact CD2-CB 4.33Å; Y220-D224 HydrophobicContact CE2-CB 3.75Å; Y220-D224 PolarHBondContact O-N 3.4Å
221	V	98	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-27	179.2	178.7	0	0	0	0	112.3	L178 L197 A217 F218 K223 G225 I226 Y251 S252	L178-V221 HydrophobicContact CD1-CB 4.37Å; L178-V221 HydrophobicContact CD1-CG1 4.2Å; L178-V221 HydrophobicContact CD1-CG2 3.89Å; L178-V221 HydrophobicContact CD2-CG1 4.26Å; L197-V221 HydrophobicContact CD2-CG2 3.67Å; A217-V221 WeakPolarHBondContact O-CG2 3.39Å; A217-V221 PolarHBondContact O-N 2.85Å; F218-V221 CarbonylContact O-C 3.52Å; F218-V221 PolarHBondContact O-N 2.77Å; F218-V221 VanDerWaalsContact O-N 3.16Å; V221-K223 VanDerWaalsContact C-N 3.33Å; V221-G225 WeakPolarHBondContact O-CA 3.3Å; V221-G225 PolarHBondContact O-N 3.42Å; V221-I226 HydrophobicContact CG1-CB 3.94Å; V221-I226 HydrophobicContact CG1-CG2 3.75Å; V221-I226 HydrophobicContact CG2-CB 3.93Å; V221-I226 HydrophobicContact CG2-CD1 4.19Å; V221-I226 HydrophobicContact CG2-CG2 4.46Å; V221-Y251 WeakPolarHBondContact O-CA 3.22Å; V221-S252 PolarHBondContact O-N 2.88Å
222	E	95.6	Very high	96.7	Very high	102 Å²	102	31.8 Å²	31.8	48%	0.477	15%	0.154	S	C	.	.	H	α-helix	trans	-61.4	-40.6	169.8	178.6	-178.4	-177.8	0	0	112.1	F218 R219 Y220 S252	F218-E222 PolarHBondContact O-N 3.44Å; R219-E222 WeakPolarHBondContact O-CB 3.43Å; R219-E222 PolarHBondContact O-N 3.27Å; Y220-E222 VanDerWaalsContact C-N 3.26Å; Y220-E222 PolarHBondContact O-N 3.07Å; E222-S252 WeakPolarHBondContact CA-O 3.41Å; E222-S252 WeakPolarHBondContact CB-O 3.29Å; E222-S252 WeakPolarHBondContact CG-O 3.37Å
223	K	95.8	Very high	96.8	Very high	125 Å²	125	35 Å²	35	54%	0.543	18%	0.175	S	C	.	.	H	α-helix	trans	-82.5	-47.2	-178	-173.2	-175.6	177.2	-175.6	0	113.3	F204 R219 Y220 V221 K245	F204-K223 HydrophobicContact CE2-CD 4.27Å; F204-K223 HydrophobicContact CZ-CB 3.87Å; F204-K223 HydrophobicContact CZ-CD 3.63Å; F204-K223 HydrophobicContact CZ-CG 4.41Å; R219-K223 PolarHBondContact O-N 2.97Å; Y220-K223 PolarHBondContact O-N 3.24Å; V221-K223 VanDerWaalsContact C-N 3.33Å; K223-K245 WeakPolarHBondContact O-CE 3.04Å; K223-K245 PolarHBondContact O-NZ 3.07Å
224	D	97.1	Very high	96.9	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	18%	0.182	C	C	.	.	H	α-helix	trans	-114	-12.8	-165.8	-66.7	-46.1	0	0	0	113.1	Y220 H243 K245 S248	Y220-D224 HydrophobicContact CD2-CB 4.33Å; Y220-D224 HydrophobicContact CE2-CB 3.75Å; Y220-D224 PolarHBondContact O-N 3.4Å; D224-H243 PolarHBondContact O-NE2 3.04Å; D224-K245 IonicContact OD1-NZ 3.26Å; D224-K245 PolarHBondContact OD1-NZ 2.86Å; D224-S248 PolarHBondContact O-OG 2.73Å
225	G	97.7	Very high	96.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.			trans	74.1	-174.9	-177.1	0	0	0	0	0	112.1	Q196 V221 S248 T250 Y251	Q196-G225 PolarHBondContact NE2-O 3.03Å; V221-G225 WeakPolarHBondContact O-CA 3.3Å; V221-G225 PolarHBondContact O-N 3.42Å; G225-S248 WeakPolarHBondContact CA-OG 3.42Å; G225-T250 CarbonylContact C-O 3.57Å; G225-T250 WeakPolarHBondContact CA-O 3.48Å; G225-Y251 VanDerWaalsContact N-CE1 3.33Å
226	I	98.2	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-139.9	136	-177.6	-169.7	165.4	0	0	0	112	L178 L192 L197 V221 S248 L249 T250	L178-I226 HydrophobicContact CD1-CD1 3.96Å; L192-I226 HydrophobicContact CB-CD1 3.87Å; L192-I226 HydrophobicContact CB-CG1 4.22Å; L192-I226 HydrophobicContact CD1-CD1 4.35Å; L192-I226 HydrophobicContact CD1-CG2 3.92Å; L192-I226 HydrophobicContact CD2-CG2 4.08Å; L192-I226 HydrophobicContact CG-CG2 4.47Å; L197-I226 HydrophobicContact CD1-CD1 4.19Å; L197-I226 HydrophobicContact CD2-CD1 4Å; L197-I226 HydrophobicContact CG-CD1 4.05Å; V221-I226 HydrophobicContact CG1-CB 3.94Å; V221-I226 HydrophobicContact CG1-CG2 3.75Å; V221-I226 HydrophobicContact CG2-CB 3.93Å; V221-I226 HydrophobicContact CG2-CD1 4.19Å; V221-I226 HydrophobicContact CG2-CG2 4.46Å; I226-S248 PolarHBondContact N-OG 3.35Å; I226-S248 CarbonylContact O-C 3.57Å; I226-L249 PolarHBondContact O-N 3.24Å; I226-T250 HydrophobicContact CG2-CG2 3.72Å; I226-T250 PolarHBondContact N-O 3.42Å
227	Q	97.6	Very high	96.5	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.037	25%	0.247	C	C	.	.			trans	-86.2	164.4	177.4	-69.9	-177	-114.6	0	0	111.8	S193 S231 H243 I244 T247	S193-Q227 PolarHBondContact N-O 2.97Å; Q227-S231 WeakPolarHBondContact CB-OG 3.42Å; Q227-S231 PolarHBondContact NE2-OG 3.1Å; Q227-H243 PolarHBondContact OE1-ND1 3.1Å; Q227-I244 VanDerWaalsContact OE1-N 3.16Å; Q227-T247 WeakPolarHBondContact CG-OG1 3.39Å; Q227-T247 PolarHBondContact NE2-OG1 3.01Å
228	S	97	Very high	96.3	Very high	16 Å²	16	53.9 Å²	53.9	11%	0.112	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-68.2	154.6	169.6	57.4	0	0	0	0	112	E191 E230 S231 Y232	E191-S228 CarbonylContact O-C 3.55Å; E191-S228 VanDerWaalsContact O-CA 3.26Å; E191-S228 WeakPolarHBondContact O-CA 3.46Å; S228-E230 PolarHBondContact O-N 3.34Å; S228-S231 PolarHBondContact N-OG 2.79Å; S228-S231 PolarHBondContact O-N 2.53Å; S228-S231 PolarHBondContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.38Å; S228-S231 PolarHBondContact OG-N 3.46Å; S228-S231 VanDerWaalsContact OG-N 3.14Å; S228-S231 PolarHBondContact OG-OG 2.96Å; S228-S231 VanDerWaalsContact OG-OG 3.05Å; S228-Y232 PolarHBondContact O-N 2.84Å; S228-Y232 VanDerWaalsContact O-N 3.09Å
229	E	97.2	Very high	96.2	Very high	32 Å²	32	55.1 Å²	55.1	15%	0.15	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.1	166.1	-175.8	70.1	-140.4	0	0	111.4	K161 E191 S231 Y232 P233 Y234	K161-E229 IonicContact NZ-OE2 3.64Å; K161-E229 PolarHBondContact NZ-OE2 3.28Å; E191-E229 HydrophobicContact CB-CB 3.9Å; E191-E229 PolarHBondContact O-N 3.21Å; E229-S231 PolarHBondContact O-N 2.89Å; E229-Y232 CarbonylContact O-C 3.21Å; E229-Y232 PolarHBondContact O-N 3.46Å; E229-P233 WeakPolarHBondContact O-CA 3.31Å; E229-P233 VanDerWaalsContact O-N 3.14Å; E229-Y234 WeakPolarHBondContact OE1-CB 3.39Å; E229-Y234 PolarHBondContact OE1-N 2.92Å
230	E	96	Very high	96.2	Very high	182 Å²	182	60.4 Å²	60.4	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-41.2	179.3	-175.4	-178.8	178.4	0	0	112.9	S228	S228-E230 PolarHBondContact O-N 3.34Å
231	S	96.4	Very high	96.2	Very high	62 Å²	62	63.6 Å²	63.6	43%	0.434	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.7	-178.2	67.1	0	0	0	0	113.8	Q227 S228 E229	Q227-S231 WeakPolarHBondContact CB-OG 3.42Å; Q227-S231 PolarHBondContact NE2-OG 3.1Å; S228-S231 PolarHBondContact N-OG 2.79Å; S228-S231 PolarHBondContact O-N 2.53Å; S228-S231 PolarHBondContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.38Å; S228-S231 PolarHBondContact OG-N 3.46Å; S228-S231 VanDerWaalsContact OG-N 3.14Å; S228-S231 PolarHBondContact OG-OG 2.96Å; S228-S231 VanDerWaalsContact OG-OG 3.05Å; E229-S231 PolarHBondContact O-N 2.89Å
232	Y	97.7	Very high	96.1	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.035	36%	0.357	C	S	.	.	S	Bend	trans	-143.6	80.3	176.8	-159.6	-29.7	0	0	0	109	S193 Q195 Q196 D199 S228 E229 K240 Q242 H243	S193-Y232 VanDerWaalsContact CB-O 3.29Å; S193-Y232 WeakPolarHBondContact CB-O 3.43Å; S193-Y232 WeakPolarHBondContact OG-CB 3.35Å; S193-Y232 PolarHBondContact OG-O 3.47Å; Q195-Y232 HydrophobicContact CB-CD1 3.85Å; Q195-Y232 HydrophobicContact CB-CE1 3.99Å; Q195-Y232 HydrophobicContact CG-CD1 3.8Å; Q195-Y232 HydrophobicContact CG-CE1 3.48Å; Q195-Y232 VanDerWaalsContact CG-CE1 3.48Å; Q196-Y232 HydrophobicContact CB-CD2 3.79Å; Q196-Y232 HydrophobicContact CB-CE2 4Å; Q196-Y232 HydrophobicContact CB-CG 4.23Å; Q196-Y232 HydrophobicContact CG-CD2 4.12Å; Q196-Y232 HydrophobicContact CG-CE2 4.13Å; D199-Y232 WeakPolarHBondContact CB-OH 3.2Å; D199-Y232 WeakPolarHBondContact OD2-CE1 3.42Å; D199-Y232 PolarHBondContact OD2-OH 3.33Å; S228-Y232 PolarHBondContact O-N 2.84Å; S228-Y232 VanDerWaalsContact O-N 3.09Å; E229-Y232 CarbonylContact O-C 3.21Å; E229-Y232 PolarHBondContact O-N 3.46Å; Y232-K240 PolarHBondContact OH-O 2.86Å; Y232-Q242 HydrophobicContact CE2-CB 3.98Å; Y232-Q242 PolarHBondContact OH-N 2.88Å; Y232-H243 HydrophobicContact CE2-CB 4.49Å
233	P	97.2	Very high	96.1	Very high	69 Å²	69	66.9 Å²	66.9	45%	0.448	34%	0.342	S	S	.	.			trans	-73.8	152.3	-170.3	29	-35.9	0	0	0	113.5	Q195 E229	Q195-P233 WeakPolarHBondContact CB-O 3.4Å; Q195-P233 WeakPolarHBondContact CG-O 3.22Å; E229-P233 WeakPolarHBondContact O-CA 3.31Å; E229-P233 VanDerWaalsContact O-N 3.14Å
234	Y	97.5	Very high	96	Very high	40 Å²	40	65.5 Å²	65.5	16%	0.157	34%	0.339	C	S	.	.			trans	-65.8	132.1	174.9	-168.1	-124.2	0	0	0	113.7	V162 Q163 F172 Q195 I198 E229 T236	V162-Y234 VanDerWaalsContact O-CE1 3.27Å; V162-Y234 WeakPolarHBondContact O-CE1 3.29Å; Q163-Y234 WeakPolarHBondContact O-CE1 3.37Å; Q163-Y234 PolarHBondContact O-OH 3.31Å; F172-Y234 HydrophobicContact CE2-CE1 4.11Å; F172-Y234 AromaticContact CE2-CE2 3.97Å; F172-Y234 HydrophobicContact CE2-CE2 3.97Å; F172-Y234 AromaticContact CE2-CZ 3.69Å; F172-Y234 AromaticContact CZ-CD1 3.85Å; F172-Y234 HydrophobicContact CZ-CD1 3.85Å; F172-Y234 HydrophobicContact CZ-CD2 4.05Å; F172-Y234 AromaticContact CZ-CE1 3.59Å; F172-Y234 HydrophobicContact CZ-CE1 3.59Å; F172-Y234 AromaticContact CZ-CE2 3.86Å; F172-Y234 HydrophobicContact CZ-CE2 3.86Å; F172-Y234 HydrophobicContact CZ-CG 4.07Å; F172-Y234 AromaticContact CZ-CZ 3.6Å; Q195-Y234 HydrophobicContact CB-CD2 4.34Å; I198-Y234 HydrophobicContact CD1-CD2 4.15Å; I198-Y234 HydrophobicContact CD1-CE2 3.46Å; I198-Y234 VanDerWaalsContact CD1-CE2 3.46Å; E229-Y234 WeakPolarHBondContact OE1-CB 3.39Å; E229-Y234 PolarHBondContact OE1-N 2.92Å; Y234-T236 HydrophobicContact CD1-CG2 3.88Å; Y234-T236 HydrophobicContact CE1-CG2 3.56Å
235	L	95.3	Very high	95.8	Very high	79 Å²	79	68.8 Å²	68.8	41%	0.414	35%	0.352	S	S	.	.			trans	-109.6	1	-174.9	-58.6	-178.8	0	0	0	113.7	Q195 K237	Q195-L235 HydrophobicContact CG-CD1 4.46Å; Q195-L235 HydrophobicContact CG-CG 4.21Å; L235-K237 HydrophobicContact CB-CG 4.33Å; L235-K237 PolarHBondContact O-N 3.5Å
236	T	90.4	Very high	95.6	Very high	82 Å²	82	74.2 Å²	74.2	50%	0.503	39%	0.39	S	S	.	.	S	Bend	trans	56.4	13.9	-173.5	64.6	0	0	0	0	115.5	Y234	Y234-T236 HydrophobicContact CD1-CG2 3.88Å; Y234-T236 HydrophobicContact CE1-CG2 3.56Å
237	K	93.2	Very high	95.4	Very high	136 Å²	136	76.9 Å²	76.9	59%	0.591	41%	0.406	S	S	*	.	S	Bend	trans	-155.4	162.5	177.6	67.2	-170.6	175.9	-177.3	0	110.3	Q195 L235	Q195-K237 PolarHBondContact NE2-O 3.34Å; L235-K237 HydrophobicContact CB-CG 4.33Å; L235-K237 PolarHBondContact O-N 3.5Å
238	E	94.1	Very high	95.3	Very high	85 Å²	85	77.5 Å²	77.5	40%	0.397	41%	0.411	S	S	.	.			trans	-69.4	135.2	172.5	-168.9	176.9	140.6	0	0	110.9	I198 H202 G208 C209	I198-E238 HydrophobicContact CG2-CB 4.25Å; I198-E238 HydrophobicContact CG2-CG 4.26Å; H202-E238 IonicContact CE1-OE1 3.39Å; H202-E238 PolarHBondContact CE1-OE1 2.77Å; H202-E238 IonicContact CE1-OE2 3.12Å; H202-E238 IonicContact NE2-OE1 3.56Å; H202-E238 PolarHBondContact NE2-OE1 3.25Å; H202-E238 VanDerWaalsContact NE2-OE1 3.1Å; H202-E238 IonicContact NE2-OE2 3.1Å; G208-E238 WeakPolarHBondContact CA-OE2 3.29Å; C209-E238 PolarHBondContact SG-N 3.25Å
239	G	95.2	Very high	95.2	Very high	27 Å²	27	80.8 Å²	80.8	28%	0.278	43%	0.427	S	S	.	.			trans	-118.2	-171.7	176.8	0	0	0	0	0	112.1	D199	D199-G239 WeakPolarHBondContact OD1-CA 3.48Å; D199-G239 PolarHBondContact OD1-N 2.8Å
240	K	96.2	Very high	95	Very high	179 Å²	179	79.8 Å²	79.8	78%	0.778	42%	0.423	S	S	*	.			trans	-82.7	140.9	167.3	-65.5	-174.4	179	-179.2	0	108.3	Y232 Q242	Y232-K240 PolarHBondContact OH-O 2.86Å; K240-Q242 WeakPolarHBondContact O-CG 3.18Å; K240-Q242 PolarHBondContact O-N 3.16Å; K240-Q242 VanDerWaalsContact O-N 3.09Å
241	C	97.7	Very high	95	Very high	71 Å²	71	75.2 Å²	75.2	48%	0.48	40%	0.399	S	S	.	.			trans	-58	116.2	172.8	-177.8	0	0	0	0	111.1	D199 C200	D199-C241 HydrophobicContact CB-CB 4.42Å; C200-C241 HydrophobicContact CB-CB 3.95Å; C200-C241 WeakPolarHBondContact CB-SG 3.45Å; C200-C241 WeakPolarHBondContact SG-CA 3.31Å; C200-C241 WeakPolarHBondContact SG-CB 3.33Å; C200-C241 CovalentContact SG-SG 2.04Å; C200-C241 PolarHBondContact SG-SG 2.67Å
242	Q	96	Very high	94.9	Very high	137 Å²	137	72.5 Å²	72.5	64%	0.64	38%	0.38	S	S	*	.			trans	-111.7	18.9	178.3	-69.3	173.9	3.7	0	0	112	Y232 K240 I244	Y232-Q242 HydrophobicContact CE2-CB 3.98Å; Y232-Q242 PolarHBondContact OH-N 2.88Å; K240-Q242 WeakPolarHBondContact O-CG 3.18Å; K240-Q242 PolarHBondContact O-N 3.16Å; K240-Q242 VanDerWaalsContact O-N 3.09Å; Q242-I244 PolarHBondContact O-N 2.71Å
243	H	94.8	Very high	94.6	Very high	34 Å²	34	78.7 Å²	78.7	16%	0.157	41%	0.407	C	S	.	.			trans	-64	130.4	-174.4	175.3	48.7	0	0	0	112.2	Q196 D224 Q227 Y232 K245 S248	Q196-H243 HydrophobicContact CG-CB 4.2Å; Q196-H243 PolarHBondContact NE2-ND1 2.98Å; Q196-H243 VanDerWaalsContact NE2-ND1 3.2Å; D224-H243 PolarHBondContact O-NE2 3.04Å; Q227-H243 PolarHBondContact OE1-ND1 3.1Å; Y232-H243 HydrophobicContact CE2-CB 4.49Å; H243-K245 VanDerWaalsContact NE2-CA 3.34Å; H243-K245 WeakPolarHBondContact NE2-CA 3.49Å; H243-S248 PolarHBondContact CE1-OG 2.9Å
244	I	93.6	Very high	94.4	Very high	95 Å²	95	78.1 Å²	78.1	49%	0.487	41%	0.405	S	S	.	.			trans	-110.1	110.2	172.6	-56.9	175.5	0	0	0	108.4	Q227 Q242 S246 T247	Q227-I244 VanDerWaalsContact OE1-N 3.16Å; Q242-I244 PolarHBondContact O-N 2.71Å; I244-S246 WeakPolarHBondContact CG2-OG 3.28Å; I244-S246 PolarHBondContact O-N 2.77Å; I244-S246 VanDerWaalsContact O-N 3.12Å; I244-T247 HydrophobicContact CB-CG2 4.19Å; I244-T247 HydrophobicContact CG2-CG2 4.04Å; I244-T247 PolarHBondContact O-N 3.37Å; I244-T247 PolarHBondContact O-OG1 2.75Å
245	K	91.9	Very high	94.2	Very high	102 Å²	102	78 Å²	78	44%	0.443	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-57.6	-33.5	-173.2	-169.4	167.4	-170.3	150.5	0	114.9	K223 D224 H243 T247 S248	K223-K245 WeakPolarHBondContact O-CE 3.04Å; K223-K245 PolarHBondContact O-NZ 3.07Å; D224-K245 IonicContact OD1-NZ 3.26Å; D224-K245 PolarHBondContact OD1-NZ 2.86Å; H243-K245 VanDerWaalsContact NE2-CA 3.34Å; H243-K245 WeakPolarHBondContact NE2-CA 3.49Å; K245-T247 PolarHBondContact O-N 3.44Å; K245-S248 WeakPolarHBondContact O-CB 3.38Å; K245-S248 PolarHBondContact O-N 3.44Å
246	S	93.5	Very high	94	Very high	113 Å²	113	75 Å²	75	79%	0.79	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.4	178.2	54.5	0	0	0	0	114	I244	I244-S246 WeakPolarHBondContact CG2-OG 3.28Å; I244-S246 PolarHBondContact O-N 2.77Å; I244-S246 VanDerWaalsContact O-N 3.12Å
247	T	94.1	Very high	94.1	Very high	57 Å²	57	73.7 Å²	73.7	35%	0.35	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-100.7	3.1	177.5	64.8	0	0	0	0	113	Q227 I244 K245 L249	Q227-T247 WeakPolarHBondContact CG-OG1 3.39Å; Q227-T247 PolarHBondContact NE2-OG1 3.01Å; I244-T247 HydrophobicContact CB-CG2 4.19Å; I244-T247 HydrophobicContact CG2-CG2 4.04Å; I244-T247 PolarHBondContact O-N 3.37Å; I244-T247 PolarHBondContact O-OG1 2.75Å; K245-T247 PolarHBondContact O-N 3.44Å; T247-L249 PolarHBondContact O-N 2.73Å
248	S	95.9	Very high	94	Very high	20 Å²	20	67.8 Å²	67.8	14%	0.14	35%	0.353	C	S	.	.			trans	-62	126.9	173.4	-75.3	0	0	0	0	111.5	D224 G225 I226 H243 K245	D224-S248 PolarHBondContact O-OG 2.73Å; G225-S248 WeakPolarHBondContact CA-OG 3.42Å; I226-S248 PolarHBondContact N-OG 3.35Å; I226-S248 CarbonylContact O-C 3.57Å; H243-S248 PolarHBondContact CE1-OG 2.9Å; K245-S248 WeakPolarHBondContact O-CB 3.38Å; K245-S248 PolarHBondContact O-N 3.44Å
249	L	94.8	Very high	93.7	Very high	86 Å²	86	69.1 Å²	69.1	45%	0.45	36%	0.358	S	S	.	.			trans	-82	-30.1	179.5	-64.6	-178	0	0	0	113.1	V190 L192 I226 T247	V190-L249 HydrophobicContact CB-CD1 4.36Å; V190-L249 HydrophobicContact CG1-CD1 3.52Å; L192-L249 HydrophobicContact CD2-CD1 4.22Å; I226-L249 PolarHBondContact O-N 3.24Å; T247-L249 PolarHBondContact O-N 2.73Å
250	T	94.3	Very high	93.4	Very high	11 Å²	11	71.8 Å²	71.8	7%	0.067	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-156.9	167.2	-179.9	-156.2	0	0	0	0	111.9	L182 G225 I226 L359	L182-T250 HydrophobicContact CD1-CG2 4.43Å; G225-T250 CarbonylContact C-O 3.57Å; G225-T250 WeakPolarHBondContact CA-O 3.48Å; I226-T250 HydrophobicContact CG2-CG2 3.72Å; I226-T250 PolarHBondContact N-O 3.42Å; T250-L359 HydrophobicContact CG2-CD1 3.97Å; T250-L359 HydrophobicContact CG2-CD2 3.67Å; T250-L359 HydrophobicContact CG2-CG 4.46Å
251	Y	96	Very high	93.2	Very high	86 Å²	86	66.7 Å²	66.7	34%	0.337	35%	0.347	S	S	.	.			trans	-131.5	140.8	179	-67.2	-99.7	0	0	0	108.3	V221 G225 L359	V221-Y251 WeakPolarHBondContact O-CA 3.22Å; G225-Y251 VanDerWaalsContact N-CE1 3.33Å; Y251-L359 WeakPolarHBondContact O-CA 3.18Å; Y251-L359 WeakPolarHBondContact O-CD2 3.42Å
252	S	92.5	Very high	93	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.028	33%	0.334	C	S	.	.			trans	-74.9	145	168.4	-170.9	0	0	0	0	108.8	F218 V221 E222 S254 K358	F218-S252 WeakPolarHBondContact O-CB 3.13Å; V221-S252 PolarHBondContact O-N 2.88Å; E222-S252 WeakPolarHBondContact CA-O 3.41Å; E222-S252 WeakPolarHBondContact CB-O 3.29Å; E222-S252 WeakPolarHBondContact CG-O 3.37Å; S252-S254 PolarHBondContact OG-O 2.95Å; S252-K358 CarbonylContact C-O 3.5Å; S252-K358 PolarHBondContact OG-O 3.33Å
253	K	92.2	Very high	93	Very high	139 Å²	139	59.3 Å²	59.3	60%	0.604	31%	0.306	S	S	*	.			trans	-110.6	-33.4	176.4	-71.1	-175.5	-174	165.8	0	112.7	K358 L359	K253-K358 PolarHBondContact N-O 3.24Å; K253-L359 WeakPolarHBondContact CD-O 3.48Å; K253-L359 VanDerWaalsContact CD-OXT 3.28Å; K253-L359 WeakPolarHBondContact CD-OXT 3.5Å; K253-L359 WeakPolarHBondContact CE-OXT 3.15Å; K253-L359 WeakPolarHBondContact CG-OXT 3.37Å
254	S	92.5	Very high	93	Very high	58 Å²	58	63.4 Å²	63.4	41%	0.406	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	169.6	179	64.4	0	0	0	0	110.3	S252 P357 K358	S252-S254 PolarHBondContact OG-O 2.95Å; S254-P357 CarbonylContact O-C 3.55Å; S254-K358 PolarHBondContact N-O 3.06Å; S254-K358 PolarHBondContact O-N 3.22Å
255	I	93.5	Very high	92.9	Very high	38 Å²	38	59.5 Å²	59.5	20%	0.195	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.8	178.2	-54.7	167.8	0	0	0	107.2	N215 F218 R219 E257	N215-I255 HydrophobicContact CB-CD1 4.04Å; F218-I255 HydrophobicContact CB-CD1 3.66Å; F218-I255 HydrophobicContact CB-CG1 3.81Å; F218-I255 HydrophobicContact CD2-CD1 4.19Å; F218-I255 HydrophobicContact CD2-CG1 4.13Å; F218-I255 HydrophobicContact CD2-CG2 4.11Å; F218-I255 HydrophobicContact CG-CD1 4.45Å; F218-I255 HydrophobicContact CG-CG1 4.41Å; R219-I255 HydrophobicContact CG-CD1 4.01Å; I255-E257 HydrophobicContact CG2-CG 4.03Å
256	I	91.6	Very high	93.1	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.7	167.6	-60.9	176.2	0	0	0	106.7	L133 V269 H273 S355 V356 K358	L133-I256 HydrophobicContact CD1-CD1 4.13Å; L133-I256 HydrophobicContact CD1-CG1 4.02Å; L133-I256 HydrophobicContact CD1-CG2 4.04Å; L133-I256 HydrophobicContact CD2-CG2 4.47Å; I256-V269 HydrophobicContact CG2-CG1 4.23Å; I256-V269 HydrophobicContact CG2-CG2 4.18Å; I256-H273 WeakPolarHBondContact CD1-CD2 3.39Å; I256-H273 WeakPolarHBondContact CD1-NE2 3.28Å; I256-S355 CarbonylContact O-C 3.58Å; I256-S355 WeakPolarHBondContact O-CA 3.47Å; I256-V356 HydrophobicContact CB-CG1 3.79Å; I256-V356 HydrophobicContact CD1-CG1 4.36Å; I256-V356 HydrophobicContact CG1-CG1 4.47Å; I256-V356 HydrophobicContact CG2-CG1 4.36Å; I256-V356 PolarHBondContact N-O 3.13Å; I256-V356 PolarHBondContact O-N 3.45Å; I256-K358 HydrophobicContact CD1-CD 3.83Å; I256-K358 HydrophobicContact CD1-CG 3.98Å; I256-K358 HydrophobicContact CG1-CD 4.47Å; I256-K358 HydrophobicContact CG1-CG 4.16Å
257	E	91.9	Very high	93.2	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.252	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.9	173.1	-62.8	-169.6	-137.5	0	0	109.6	R124 N215 I255	R124-E257 IonicContact CZ-OE2 2.87Å; R124-E257 IonicContact NH1-OE2 3.29Å; R124-E257 PolarHBondContact NH1-OE2 3.01Å; N215-E257 VanDerWaalsContact ND2-CG 3.32Å; N215-E257 WeakPolarHBondContact ND2-CG 3.42Å; N215-E257 PolarHBondContact ND2-OE1 3.38Å; N215-E257 VanDerWaalsContact ND2-OE1 3.09Å; N215-E257 PolarHBondContact ND2-OE2 3.44Å; I255-E257 HydrophobicContact CG2-CG 4.03Å
258	I	90.8	Very high	93.2	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.062	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-78.7	138.7	175.5	-69.7	78.2	0	0	0	108.2	Q265 L266 V269 V276 A354	I258-Q265 HydrophobicContact CG1-CG 4.5Å; I258-Q265 HydrophobicContact CG2-CB 4.32Å; I258-Q265 HydrophobicContact CG2-CG 4.18Å; I258-L266 HydrophobicContact CD1-CD1 4.22Å; I258-L266 HydrophobicContact CG1-CD1 4.01Å; I258-L266 HydrophobicContact CG2-CB 4.16Å; I258-V269 HydrophobicContact CD1-CB 4.35Å; I258-V269 HydrophobicContact CD1-CG1 3.88Å; I258-V269 HydrophobicContact CG1-CB 4.32Å; I258-V269 HydrophobicContact CG1-CG1 4.39Å; I258-V269 HydrophobicContact CG1-CG2 4.34Å; I258-V276 HydrophobicContact CD1-CG1 3.95Å; I258-A354 HydrophobicContact CB-CB 3.94Å; I258-A354 HydrophobicContact CD1-CB 3.91Å; I258-A354 WeakPolarHBondContact CD1-O 3.45Å; I258-A354 HydrophobicContact CG1-CB 4.13Å; I258-A354 PolarHBondContact N-O 3.46Å
259	K	88.1	Confident	93.1	Very high	114 Å²	114	47.8 Å²	47.8	50%	0.496	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-58.5	137.3	175.3	-178.6	-177	171.7	-163.2	0	109.2	L132 N261 D262	L132-K259 HydrophobicContact CD2-CB 4.34Å; K259-N261 PolarHBondContact O-N 2.92Å; K259-N261 VanDerWaalsContact O-N 3.16Å; K259-D262 HydrophobicContact CB-CB 3.93Å; K259-D262 HydrophobicContact CD-CB 4.5Å; K259-D262 HydrophobicContact CG-CB 4.37Å; K259-D262 VanDerWaalsContact O-CB 3.24Å; K259-D262 WeakPolarHBondContact O-CB 3.46Å; K259-D262 PolarHBondContact O-N 3.45Å
260	L	89.8	Confident	93.2	Very high	83 Å²	83	43.7 Å²	43.7	44%	0.435	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	121.7	-176.9	-177.6	58.4	0	0	0	111.9	F121 D262 T352	F121-L260 HydrophobicContact CE1-CD1 4.15Å; F121-L260 HydrophobicContact CZ-CD1 3.73Å; L260-D262 PolarHBondContact O-N 3.49Å; L260-T352 HydrophobicContact CD1-CG2 3.85Å
261	N	92.3	Very high	93.3	Very high	72 Å²	72	46.1 Å²	46.1	39%	0.385	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	12.1	176.8	-50.8	-23.5	0	0	0	115.3	K259 E263 N346 A351 T352	K259-N261 PolarHBondContact O-N 2.92Å; K259-N261 VanDerWaalsContact O-N 3.16Å; N261-E263 PolarHBondContact O-N 3.15Å; N261-N346 HydrophobicContact CB-CB 4.29Å; N261-N346 PolarHBondContact OD1-ND2 3.49Å; N261-A351 PolarHBondContact N-O 2.96Å; N261-T352 PolarHBondContact OD1-OG1 2.9Å
262	D	93	Very high	93.2	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.203	23%	0.225	C	C	.	.			trans	-88.9	87.2	-176.1	-163.2	-33.4	0	0	0	111.3	K259 L260 E264 Q265 L266	K259-D262 HydrophobicContact CB-CB 3.93Å; K259-D262 HydrophobicContact CD-CB 4.5Å; K259-D262 HydrophobicContact CG-CB 4.37Å; K259-D262 VanDerWaalsContact O-CB 3.24Å; K259-D262 WeakPolarHBondContact O-CB 3.46Å; K259-D262 PolarHBondContact O-N 3.45Å; L260-D262 PolarHBondContact O-N 3.49Å; D262-E264 VanDerWaalsContact C-N 3.28Å; D262-E264 PolarHBondContact O-N 3.09Å; D262-E264 PolarHBondContact OD1-N 3.43Å; D262-Q265 HydrophobicContact CB-CB 4.01Å; D262-Q265 PolarHBondContact O-N 3.15Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.41Å; D262-Q265 PolarHBondContact OD1-N 3.15Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 3.31Å
263	E	96.4	Very high	93.2	Very high	15 Å²	15	47.8 Å²	47.8	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-26.1	179.4	-71.3	-164.7	80.4	0	0	113	N261 K267 W322 R342 N343 Y344 N346 A351	N261-E263 PolarHBondContact O-N 3.15Å; E263-K267 PolarHBondContact O-N 2.87Å; E263-W322 HydrophobicContact CB-CZ2 4.11Å; E263-W322 HydrophobicContact CG-CZ2 4.41Å; E263-W322 PolarHBondContact OE1-NE1 2.95Å; E263-R342 WeakPolarHBondContact OE1-CA 3.19Å; E263-N343 VanDerWaalsContact CD-N 3.3Å; E263-N343 PolarHBondContact OE1-N 3.3Å; E263-N343 VanDerWaalsContact OE2-CA 3.31Å; E263-N343 WeakPolarHBondContact OE2-CA 3.2Å; E263-N343 PolarHBondContact OE2-N 2.94Å; E263-N343 VanDerWaalsContact OE2-N 3.14Å; E263-Y344 PolarHBondContact OE2-N 2.74Å; E263-N346 WeakPolarHBondContact OE2-CA 3.49Å; E263-N346 PolarHBondContact OE2-N 3.24Å; E263-A351 HydrophobicContact CG-CB 4.03Å
264	E	93.5	Very high	93.3	Very high	119 Å²	119	41.2 Å²	41.2	56%	0.556	20%	0.201	S	C	*	.	H	α-helix	trans	-72.7	-44.5	176.6	-65.9	-169.7	146.5	0	0	111.1	L142 D262 L266 K267 Y268	L142-E264 HydrophobicContact CD1-CB 4.37Å; D262-E264 VanDerWaalsContact C-N 3.28Å; D262-E264 PolarHBondContact O-N 3.09Å; D262-E264 PolarHBondContact OD1-N 3.43Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 2.82Å; E264-K267 WeakPolarHBondContact O-CB 3.45Å; E264-K267 PolarHBondContact O-N 3.38Å; E264-Y268 PolarHBondContact O-N 3.12Å
265	Q	92.1	Very high	93.6	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.065	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-40.7	171.5	177.8	166.1	73	0	0	111.6	L137 I258 D262 K267 Y268 V269	L137-Q265 VanDerWaalsContact CD1-CA 3.42Å; L137-Q265 HydrophobicContact CD1-CB 3.39Å; L137-Q265 HydrophobicContact CD1-CG 3.62Å; I258-Q265 HydrophobicContact CG1-CG 4.5Å; I258-Q265 HydrophobicContact CG2-CB 4.32Å; I258-Q265 HydrophobicContact CG2-CG 4.18Å; D262-Q265 HydrophobicContact CB-CB 4.01Å; D262-Q265 PolarHBondContact O-N 3.15Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.41Å; D262-Q265 PolarHBondContact OD1-N 3.15Å; Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 3.41Å; Q265-Y268 PolarHBondContact O-N 2.6Å; Q265-V269 HydrophobicContact CG-CG2 4.08Å; Q265-V269 WeakPolarHBondContact O-CB 3.27Å; Q265-V269 WeakPolarHBondContact O-CG2 3.38Å; Q265-V269 PolarHBondContact O-N 2.98Å
266	L	95.8	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-45.8	174.5	-177.8	54.2	0	0	0	111.7	I258 D262 E264 Y268 V269 L270 V276 I310 W322 I350 A351 A354	I258-L266 HydrophobicContact CD1-CD1 4.22Å; I258-L266 HydrophobicContact CG1-CD1 4.01Å; I258-L266 HydrophobicContact CG2-CB 4.16Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 3.31Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 2.82Å; L266-Y268 PolarHBondContact O-N 2.9Å; L266-V269 PolarHBondContact O-N 3.18Å; L266-L270 VanDerWaalsContact O-CB 3.23Å; L266-L270 WeakPolarHBondContact O-CB 3.2Å; L266-L270 PolarHBondContact O-N 2.87Å; L266-V276 HydrophobicContact CD1-CB 4.26Å; L266-V276 HydrophobicContact CD1-CG1 3.71Å; L266-V276 HydrophobicContact CD1-CG2 4.41Å; L266-I310 HydrophobicContact CD1-CD1 4.04Å; L266-I310 HydrophobicContact CD2-CD1 3.67Å; L266-I310 HydrophobicContact CG-CD1 4.16Å; L266-W322 HydrophobicContact CB-CH2 4.1Å; L266-W322 HydrophobicContact CB-CZ2 4.23Å; L266-W322 HydrophobicContact CD2-CH2 4.15Å; L266-W322 HydrophobicContact CD2-CZ2 3.77Å; L266-W322 HydrophobicContact CG-CH2 3.84Å; L266-W322 HydrophobicContact CG-CZ2 3.98Å; L266-W322 HydrophobicContact CG-CZ3 4.39Å; L266-I350 HydrophobicContact CD2-CG1 4.49Å; L266-A351 HydrophobicContact CD2-CB 3.84Å; L266-A354 HydrophobicContact CD1-CB 3.7Å; L266-A354 HydrophobicContact CD2-CB 4.45Å
267	K	96.6	Very high	94.2	Very high	33 Å²	33	35.9 Å²	35.9	14%	0.143	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-48.2	178.4	-171	-170.3	170	-165	0	110.8	I145 E263 E264 Q265 L270 Y271 Y313 W322	I145-K267 HydrophobicContact CD1-CD 3.89Å; I145-K267 HydrophobicContact CD1-CG 3.85Å; E263-K267 PolarHBondContact O-N 2.87Å; E264-K267 WeakPolarHBondContact O-CB 3.45Å; E264-K267 PolarHBondContact O-N 3.38Å; Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 3.41Å; K267-L270 PolarHBondContact O-N 3.2Å; K267-Y271 PolarHBondContact O-N 2.96Å; K267-Y313 HydrophobicContact CD-CD2 4.41Å; K267-Y313 HydrophobicContact CD-CE2 4.19Å; K267-Y313 HydrophobicContact CG-CD1 3.95Å; K267-Y313 HydrophobicContact CG-CD2 4.22Å; K267-Y313 HydrophobicContact CG-CE1 3.76Å; K267-Y313 HydrophobicContact CG-CE2 4.08Å; K267-Y313 HydrophobicContact CG-CG 4.16Å; K267-W322 HydrophobicContact CB-CH2 3.73Å; K267-W322 HydrophobicContact CB-CZ3 4.24Å; K267-W322 HydrophobicContact CG-CH2 4.41Å
268	Y	94.5	Very high	94.5	Very high	13 Å²	13	33.3 Å²	33.3	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-50.6	179.3	179.4	-95.2	0	0	0	112.2	L137 R141 L142 I145 E264 Q265 L266 L270 Y271 E272	L137-Y268 HydrophobicContact CD2-CD1 3.35Å; L137-Y268 HydrophobicContact CD2-CD2 3.78Å; L137-Y268 HydrophobicContact CD2-CE1 3.8Å; L137-Y268 HydrophobicContact CD2-CE2 4.23Å; L137-Y268 HydrophobicContact CD2-CG 3.31Å; R141-Y268 HydrophobicContact CB-CE2 3.93Å; R141-Y268 PolarHBondContact NH1-OH 2.99Å; L142-Y268 HydrophobicContact CD2-CD2 4.35Å; L142-Y268 HydrophobicContact CD2-CG 4.44Å; I145-Y268 HydrophobicContact CG2-CD2 4Å; I145-Y268 HydrophobicContact CG2-CE2 4.34Å; E264-Y268 PolarHBondContact O-N 3.12Å; Q265-Y268 PolarHBondContact O-N 2.6Å; L266-Y268 PolarHBondContact O-N 2.9Å; Y268-L270 VanDerWaalsContact C-N 3.29Å; Y268-L270 PolarHBondContact O-N 3.36Å; Y268-Y271 PolarHBondContact O-N 3.33Å; Y268-E272 HydrophobicContact CD1-CB 4.48Å; Y268-E272 HydrophobicContact CE1-CB 4.19Å; Y268-E272 HydrophobicContact CE1-CG 4.3Å; Y268-E272 WeakPolarHBondContact O-CB 3.33Å; Y268-E272 PolarHBondContact O-N 3.41Å
269	V	93.8	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-40.8	-179.4	167.5	0	0	0	0	110.8	I256 I258 Q265 L266 H273 V276 V356	I256-V269 HydrophobicContact CG2-CG1 4.23Å; I256-V269 HydrophobicContact CG2-CG2 4.18Å; I258-V269 HydrophobicContact CD1-CB 4.35Å; I258-V269 HydrophobicContact CD1-CG1 3.88Å; I258-V269 HydrophobicContact CG1-CB 4.32Å; I258-V269 HydrophobicContact CG1-CG1 4.39Å; I258-V269 HydrophobicContact CG1-CG2 4.34Å; Q265-V269 HydrophobicContact CG-CG2 4.08Å; Q265-V269 WeakPolarHBondContact O-CB 3.27Å; Q265-V269 WeakPolarHBondContact O-CG2 3.38Å; Q265-V269 PolarHBondContact O-N 2.98Å; L266-V269 PolarHBondContact O-N 3.18Å; V269-H273 WeakPolarHBondContact O-CA 3.33Å; V269-H273 VanDerWaalsContact O-CB 3.27Å; V269-H273 WeakPolarHBondContact O-CB 3.37Å; V269-H273 PolarHBondContact O-N 3.04Å; V269-V276 HydrophobicContact CG1-CG2 4.16Å; V269-V356 HydrophobicContact CG1-CB 4.49Å; V269-V356 HydrophobicContact CG1-CG1 3.53Å
270	L	96.8	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.1	175	60.5	0	0	0	112	W151 L266 K267 Y268 G274 V276 I310 Y313 W322	W151-L270 PolarHBondContact NE1-O 3.42Å; L266-L270 VanDerWaalsContact O-CB 3.23Å; L266-L270 WeakPolarHBondContact O-CB 3.2Å; L266-L270 PolarHBondContact O-N 2.87Å; K267-L270 PolarHBondContact O-N 3.2Å; Y268-L270 VanDerWaalsContact C-N 3.29Å; Y268-L270 PolarHBondContact O-N 3.36Å; L270-G274 WeakPolarHBondContact CD1-O 3.38Å; L270-G274 CarbonylContact O-C 3.55Å; L270-G274 PolarHBondContact O-N 3.37Å; L270-G274 VanDerWaalsContact O-N 3.13Å; L270-V276 HydrophobicContact CB-CG2 3.88Å; L270-V276 HydrophobicContact CD1-CG2 4.01Å; L270-I310 HydrophobicContact CD1-CG2 4.5Å; L270-I310 VanDerWaalsContact CD1-O 3.3Å; L270-I310 WeakPolarHBondContact CD1-O 3.27Å; L270-I310 HydrophobicContact CD2-CB 4.33Å; L270-I310 HydrophobicContact CD2-CG2 3.52Å; L270-Y313 HydrophobicContact CD2-CD1 3.86Å; L270-Y313 HydrophobicContact CG-CD1 4.45Å; L270-W322 HydrophobicContact CD2-CE3 4.04Å; L270-W322 HydrophobicContact CD2-CZ3 3.84Å
271	Y	95.9	Very high	95.6	Very high	61 Å²	61	24.1 Å²	24.1	24%	0.239	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-44	178.5	175.9	-99.9	0	0	0	113	I145 P146 W149 W151 K267 Y268	I145-Y271 HydrophobicContact CB-CD1 3.68Å; I145-Y271 HydrophobicContact CB-CE1 4.03Å; I145-Y271 HydrophobicContact CB-CG 3.95Å; I145-Y271 HydrophobicContact CG2-CD1 3.27Å; I145-Y271 HydrophobicContact CG2-CE1 3.69Å; I145-Y271 HydrophobicContact CG2-CG 3.97Å; P146-Y271 HydrophobicContact CG-CD2 4.43Å; P146-Y271 HydrophobicContact CG-CE2 3.71Å; W149-Y271 HydrophobicContact CB-CD2 4.21Å; W149-Y271 AromaticContact CD2-CD2 3.7Å; W149-Y271 HydrophobicContact CD2-CD2 3.7Å; W149-Y271 AromaticContact CD2-CE2 3.74Å; W149-Y271 HydrophobicContact CD2-CE2 3.74Å; W149-Y271 HydrophobicContact CE3-CD2 4.06Å; W149-Y271 AromaticContact CE3-CE2 3.65Å; W149-Y271 HydrophobicContact CE3-CE2 3.65Å; W149-Y271 AromaticContact CG-CD2 3.77Å; W149-Y271 HydrophobicContact CG-CD2 3.77Å; W149-Y271 HydrophobicContact CG-CE2 4.29Å; W149-Y271 HydrophobicContact CH2-CE2 4.23Å; W149-Y271 HydrophobicContact CZ2-CE2 4.33Å; W149-Y271 AromaticContact CZ3-CE2 3.9Å; W149-Y271 HydrophobicContact CZ3-CE2 3.9Å; W151-Y271 WeakPolarHBondContact CZ2-O 3.35Å; K267-Y271 PolarHBondContact O-N 2.96Å; Y268-Y271 PolarHBondContact O-N 3.33Å
272	E	92.7	Very high	95.9	Very high	100 Å²	100	20.7 Å²	20.7	47%	0.467	10%	0.095	S	C	.	.	H	α-helix	trans	-81.1	-28.8	-172.8	-177.7	62.2	-165.6	0	0	112.7	Y268	Y268-E272 HydrophobicContact CD1-CB 4.48Å; Y268-E272 HydrophobicContact CE1-CB 4.19Å; Y268-E272 HydrophobicContact CE1-CG 4.3Å; Y268-E272 WeakPolarHBondContact O-CB 3.33Å; Y268-E272 PolarHBondContact O-N 3.41Å
273	H	92.9	Very high	95.9	Very high	26 Å²	26	20.6 Å²	20.6	12%	0.12	9%	0.093	C	C	.	.	H	α-helix	trans	-117.1	-17	-170.4	-62.4	-40.2	0	0	0	114.9	Q181 I256 V269 V356	Q181-H273 PolarHBondContact NE2-O 2.9Å; I256-H273 WeakPolarHBondContact CD1-CD2 3.39Å; I256-H273 WeakPolarHBondContact CD1-NE2 3.28Å; V269-H273 WeakPolarHBondContact O-CA 3.33Å; V269-H273 VanDerWaalsContact O-CB 3.27Å; V269-H273 WeakPolarHBondContact O-CB 3.37Å; V269-H273 PolarHBondContact O-N 3.04Å; H273-V356 HydrophobicContact CB-CG1 4.09Å
274	G	95.8	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.			trans	111.8	-174.2	-177.9	0	0	0	0	0	113.1	W151 L270 V276	W151-G274 VanDerWaalsContact CE2-CA 3.46Å; L270-G274 WeakPolarHBondContact CD1-O 3.38Å; L270-G274 CarbonylContact O-C 3.55Å; L270-G274 PolarHBondContact O-N 3.37Å; L270-G274 VanDerWaalsContact O-N 3.13Å; G274-V276 WeakPolarHBondContact O-CG2 3.37Å; G274-V276 PolarHBondContact O-N 3.09Å
275	P	98.2	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.			trans	-50.7	136.3	177.7	-28.5	35.8	0	0	0	113.6	W151 V156 V157 L309 I310 V311	W151-P275 HydrophobicContact CB-CG 4.07Å; W151-P275 HydrophobicContact CG-CG 4.1Å; V156-P275 HydrophobicContact CG2-CG 4.13Å; V157-P275 HydrophobicContact CG2-CG 4.03Å; P275-L309 HydrophobicContact CB-CD1 3.81Å; P275-L309 HydrophobicContact CB-CD2 3.85Å; P275-L309 HydrophobicContact CB-CG 3.86Å; P275-I310 CarbonylContact C-O 3.48Å; P275-I310 WeakPolarHBondContact CA-O 3.48Å; P275-V311 HydrophobicContact CB-CG1 4.3Å
276	V	98.5	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	-172.6	179.3	0	0	0	0	110	I258 L266 V269 L270 G274 L309 I310 A354 S355 V356	I258-V276 HydrophobicContact CD1-CG1 3.95Å; L266-V276 HydrophobicContact CD1-CB 4.26Å; L266-V276 HydrophobicContact CD1-CG1 3.71Å; L266-V276 HydrophobicContact CD1-CG2 4.41Å; V269-V276 HydrophobicContact CG1-CG2 4.16Å; L270-V276 HydrophobicContact CB-CG2 3.88Å; L270-V276 HydrophobicContact CD1-CG2 4.01Å; G274-V276 WeakPolarHBondContact O-CG2 3.37Å; G274-V276 PolarHBondContact O-N 3.09Å; V276-L309 CarbonylContact O-C 3.43Å; V276-I310 PolarHBondContact N-O 2.89Å; V276-I310 PolarHBondContact O-N 3.42Å; V276-A354 HydrophobicContact CG1-CB 4.1Å; V276-S355 WeakPolarHBondContact CG1-O 3.43Å; V276-V356 HydrophobicContact CG2-CB 4.34Å
277	S	98.6	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.4	170.2	-73.5	0	0	0	0	109.8	S173 A177 A354 S355	S173-S277 VanDerWaalsContact C-OG 3.27Å; S173-S277 PolarHBondContact O-OG 3.05Å; S173-S277 WeakPolarHBondContact OG-CA 3.44Å; S173-S277 WeakPolarHBondContact OG-CB 3.17Å; S173-S277 PolarHBondContact OG-OG 2.69Å; A177-S277 VanDerWaalsContact CB-OG 3.3Å; A177-S277 WeakPolarHBondContact CB-OG 3.31Å; S277-A354 CarbonylContact O-C 3.47Å; S277-A354 VanDerWaalsContact O-CA 3.27Å; S277-A354 WeakPolarHBondContact O-CA 3.47Å; S277-S355 WeakPolarHBondContact CB-O 3.49Å; S277-S355 PolarHBondContact N-O 3.46Å; S277-S355 PolarHBondContact O-N 3.45Å
278	A	98.2	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.8	-179.8	0	0	0	0	0	111.6	A307 V308 I310 I350 M353 A354	A278-A307 CarbonylContact O-C 3.6Å; A278-A307 WeakPolarHBondContact O-CA 3.48Å; A278-V308 HydrophobicContact CB-CG2 4.35Å; A278-V308 PolarHBondContact N-O 2.04Å; A278-V308 PolarHBondContact O-N 2.75Å; A278-I310 HydrophobicContact CB-CD1 3.77Å; A278-I310 HydrophobicContact CB-CG1 3.89Å; A278-I350 HydrophobicContact CB-CD1 3.94Å; A278-I350 WeakPolarHBondContact CB-O 3.34Å; A278-M353 WeakPolarHBondContact CA-O 3.45Å; A278-A354 HydrophobicContact CB-CB 4.36Å
279	G	97.4	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.1	164.6	0	0	0	0	0	110.8	H306 G349 M353	G279-H306 CarbonylContact C-O 3.55Å; G279-H306 WeakPolarHBondContact CA-O 3.46Å; G279-G349 CarbonylContact O-C 3.24Å; G279-G349 VanDerWaalsContact O-O 3.07Å; G279-M353 PolarHBondContact N-O 3.48Å
280	I	97.9	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.8	169.4	58.6	169.9	0	0	0	110.9	V282 F286 V304 N305 H306 V308 M340 C348 I350	I280-V282 HydrophobicContact CD1-CG2 3.97Å; I280-V282 HydrophobicContact CG1-CG2 4.1Å; I280-F286 HydrophobicContact CD1-CE1 3.89Å; I280-F286 HydrophobicContact CD1-CE2 3.82Å; I280-F286 HydrophobicContact CD1-CZ 3.38Å; I280-V304 CarbonylContact O-C 3.47Å; I280-V304 WeakPolarHBondContact O-CA 3.13Å; I280-N305 PolarHBondContact O-N 2.94Å; I280-N305 PolarHBondContact O-OD1 3.31Å; I280-H306 HydrophobicContact CG1-CB 4.17Å; I280-H306 PolarHBondContact N-O 2.98Å; I280-H306 PolarHBondContact O-N 3.1Å; I280-V308 HydrophobicContact CD1-CG1 3.77Å; I280-V308 HydrophobicContact CD1-CG2 4.31Å; I280-V308 HydrophobicContact CG1-CG1 4.07Å; I280-V308 HydrophobicContact CG1-CG2 4.23Å; I280-V308 HydrophobicContact CG2-CG2 3.98Å; I280-M340 HydrophobicContact CB-CE 4.4Å; I280-M340 HydrophobicContact CD1-CE 3.94Å; I280-M340 HydrophobicContact CG2-CE 4.02Å; I280-M340 HydrophobicContact CG2-SD 4.27Å; I280-C348 CarbonylContact C-O 3.4Å; I280-C348 VanDerWaalsContact CA-O 3.25Å; I280-C348 WeakPolarHBondContact CA-O 3.26Å; I280-I350 HydrophobicContact CG2-CB 4.26Å; I280-I350 HydrophobicContact CG2-CD1 3.36Å; I280-I350 HydrophobicContact CG2-CG1 4.4Å
281	N	97.2	Very high	96.4	Very high	15 Å²	15	23 Å²	23	8%	0.08	11%	0.109	C	C	.	.			trans	-88.8	109.7	166.6	-179.9	-109	0	0	0	109.6	C299 S300 E303 C348	N281-C299 HydrophobicContact CB-CB 4.38Å; N281-C299 VanDerWaalsContact OD1-CA 3.27Å; N281-C299 WeakPolarHBondContact OD1-CA 3.42Å; N281-C299 WeakPolarHBondContact OD1-CB 3.37Å; N281-S300 WeakPolarHBondContact CB-O 3.38Å; N281-S300 PolarHBondContact OD1-N 3.29Å; N281-E303 PolarHBondContact ND2-O 3.18Å; N281-C348 HydrophobicContact CB-CB 4.29Å; N281-C348 PolarHBondContact N-O 3.12Å; N281-C348 WeakPolarHBondContact O-CB 3.25Å
282	V	97.1	Very high	96.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.102	C	C	.	.			trans	-86.8	135.8	173.8	172.9	0	0	0	0	109.4	W106 L114 I280 F286 M287 N305 H306 W328	W106-V282 HydrophobicContact CH2-CG1 4.13Å; W106-V282 VanDerWaalsContact CH2-O 3.29Å; W106-V282 WeakPolarHBondContact CH2-O 3.27Å; W106-V282 HydrophobicContact CZ3-CG1 4.37Å; L114-V282 HydrophobicContact CD1-CB 4.06Å; L114-V282 HydrophobicContact CD1-CG1 4.04Å; L114-V282 HydrophobicContact CD2-CB 3.81Å; L114-V282 HydrophobicContact CD2-CG1 3.89Å; L114-V282 HydrophobicContact CD2-CG2 4.13Å; I280-V282 HydrophobicContact CD1-CG2 3.97Å; I280-V282 HydrophobicContact CG1-CG2 4.1Å; V282-F286 HydrophobicContact CB-CD1 4.29Å; V282-F286 HydrophobicContact CG1-CB 4.15Å; V282-F286 HydrophobicContact CG1-CD1 3.83Å; V282-F286 HydrophobicContact CG1-CG 4.33Å; V282-F286 HydrophobicContact CG2-CD1 3.73Å; V282-F286 HydrophobicContact CG2-CE1 3.92Å; V282-F286 HydrophobicContact CG2-CG 4.37Å; V282-M287 HydrophobicContact CG1-CG 3.91Å; V282-M287 HydrophobicContact CG1-SD 3.82Å; V282-N305 WeakPolarHBondContact CB-OD1 3.26Å; V282-N305 PolarHBondContact N-OD1 3.12Å; V282-N305 PolarHBondContact O-ND2 3.06Å; V282-N305 VanDerWaalsContact O-ND2 3.07Å; V282-H306 HydrophobicContact CB-CB 4.39Å; V282-H306 HydrophobicContact CG2-CB 3.43Å; V282-H306 VanDerWaalsContact CG2-CB 3.43Å; V282-W328 HydrophobicContact CG1-CH2 3.92Å; V282-W328 HydrophobicContact CG2-CH2 4.1Å
283	E	94.8	Very high	96.8	Very high	35 Å²	35	16 Å²	16	16%	0.164	8%	0.081	C	C	.	.			trans	-121.1	173.1	171.8	-59.7	177.9	122.8	0	0	110.2	Q285 F286 M287 S296 S298 C299	E283-Q285 PolarHBondContact O-N 3.25Å; E283-F286 WeakPolarHBondContact O-CB 3.26Å; E283-F286 PolarHBondContact O-N 3.02Å; E283-F286 VanDerWaalsContact O-N 3.09Å; E283-M287 PolarHBondContact O-N 2.8Å; E283-S296 WeakPolarHBondContact OE2-CB 3.39Å; E283-S296 PolarHBondContact OE2-OG 2.89Å; E283-S298 VanDerWaalsContact CD-OG 3.26Å; E283-S298 VanDerWaalsContact OE1-CB 3.24Å; E283-S298 WeakPolarHBondContact OE1-CB 3.33Å; E283-S298 PolarHBondContact OE1-OG 3.36Å; E283-S298 PolarHBondContact OE2-OG 3.33Å; E283-C299 HydrophobicContact CG-CB 4.1Å; E283-C299 WeakPolarHBondContact OE1-CA 3.22Å; E283-C299 PolarHBondContact OE1-N 3.33Å; E283-C299 VanDerWaalsContact OE1-N 3.11Å; E283-C299 WeakPolarHBondContact OE2-CB 3.2Å; E283-C299 PolarHBondContact OE2-N 3.38Å
284	Q	92.8	Very high	97.1	Very high	53 Å²	53	14.8 Å²	14.8	25%	0.248	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.7	-178.4	-170.9	178.8	15.8	0	0	113.5	N76 W106 R288	N76-Q284 PolarHBondContact OD1-NE2 3.18Å; W106-Q284 HydrophobicContact CB-CG 4.38Å; W106-Q284 HydrophobicContact CD2-CB 3.99Å; W106-Q284 VanDerWaalsContact CE3-CA 3.47Å; W106-Q284 HydrophobicContact CE3-CB 3.67Å; W106-Q284 HydrophobicContact CE3-CG 4.19Å; W106-Q284 HydrophobicContact CG-CB 4.36Å; W106-Q284 HydrophobicContact CZ3-CB 4.25Å; W106-Q284 VanDerWaalsContact CZ3-N 3.28Å; Q284-R288 PolarHBondContact O-NE 2.91Å
285	Q	93.7	Very high	97.2	Very high	65 Å²	65	16.3 Å²	16.3	30%	0.304	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-42.6	175.5	-75.2	-174.6	-19.4	0	0	111.7	Y94 E283 M287 R288 Y289	Y94-Q285 PolarHBondContact OH-OE1 3.36Å; E283-Q285 PolarHBondContact O-N 3.25Å; Q285-M287 VanDerWaalsContact C-N 3.3Å; Q285-M287 PolarHBondContact O-N 3.24Å; Q285-R288 CarbonylContact O-C 3.53Å; Q285-R288 PolarHBondContact O-N 3Å; Q285-Y289 PolarHBondContact O-N 2.95Å
286	F	97.2	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-58.4	-40.8	176.9	-172.8	-85.7	0	0	0	112.1	I280 V282 E283 R288 Y289 Y294 W328 W332 V338 M340	I280-F286 HydrophobicContact CD1-CE1 3.89Å; I280-F286 HydrophobicContact CD1-CE2 3.82Å; I280-F286 HydrophobicContact CD1-CZ 3.38Å; V282-F286 HydrophobicContact CB-CD1 4.29Å; V282-F286 HydrophobicContact CG1-CB 4.15Å; V282-F286 HydrophobicContact CG1-CD1 3.83Å; V282-F286 HydrophobicContact CG1-CG 4.33Å; V282-F286 HydrophobicContact CG2-CD1 3.73Å; V282-F286 HydrophobicContact CG2-CE1 3.92Å; V282-F286 HydrophobicContact CG2-CG 4.37Å; E283-F286 WeakPolarHBondContact O-CB 3.26Å; E283-F286 PolarHBondContact O-N 3.02Å; E283-F286 VanDerWaalsContact O-N 3.09Å; F286-R288 PolarHBondContact O-N 3.16Å; F286-Y289 VanDerWaalsContact O-CB 3.28Å; F286-Y289 WeakPolarHBondContact O-CB 3.37Å; F286-Y289 PolarHBondContact O-N 3.29Å; F286-Y294 HydrophobicContact CB-CE1 4.49Å; F286-Y294 HydrophobicContact CB-CE2 3.93Å; F286-Y294 AromaticContact CD2-CD1 3.87Å; F286-Y294 HydrophobicContact CD2-CD1 3.87Å; F286-Y294 HydrophobicContact CD2-CD2 4.17Å; F286-Y294 AromaticContact CD2-CE1 3.71Å; F286-Y294 HydrophobicContact CD2-CE1 3.71Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 HydrophobicContact CD2-CG 4.1Å; F286-Y294 AromaticContact CD2-CZ 3.79Å; F286-Y294 HydrophobicContact CE2-CD1 4.37Å; F286-Y294 HydrophobicContact CG-CE2 4.45Å; F286-W328 AromaticContact CD1-CH2 3.84Å; F286-W328 HydrophobicContact CD1-CH2 3.84Å; F286-W328 AromaticContact CD1-CZ3 3.82Å; F286-W328 HydrophobicContact CD1-CZ3 3.82Å; F286-W328 AromaticContact CE1-CH2 3.83Å; F286-W328 HydrophobicContact CE1-CH2 3.83Å; F286-W328 AromaticContact CE1-CZ3 3.79Å; F286-W328 HydrophobicContact CE1-CZ3 3.79Å; F286-W332 HydrophobicContact CD1-CH2 4.47Å; F286-W332 AromaticContact CD1-CZ2 3.84Å; F286-W332 HydrophobicContact CD1-CZ2 3.84Å; F286-W332 AromaticContact CE1-CH2 3.67Å; F286-W332 HydrophobicContact CE1-CH2 3.67Å; F286-W332 AromaticContact CE1-CZ2 3.44Å; F286-W332 HydrophobicContact CE1-CZ2 3.44Å; F286-W332 VanDerWaalsContact CE1-CZ2 3.44Å; F286-W332 HydrophobicContact CE2-CH2 4.49Å; F286-W332 AromaticContact CZ-CH2 3.69Å; F286-W332 HydrophobicContact CZ-CH2 3.69Å; F286-W332 AromaticContact CZ-CZ2 3.89Å; F286-W332 HydrophobicContact CZ-CZ2 3.89Å; F286-W332 WeakPolarHBondContact O-CZ2 3.28Å; F286-W332 PolarHBondContact O-NE1 2.9Å; F286-V338 HydrophobicContact CE2-CG1 3.99Å; F286-V338 HydrophobicContact CE2-CG2 4.16Å; F286-V338 HydrophobicContact CZ-CG1 3.84Å; F286-M340 HydrophobicContact CD2-CE 4.25Å; F286-M340 HydrophobicContact CE2-CE 3.57Å; F286-M340 HydrophobicContact CZ-CE 4.41Å
287	M	95.1	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-56.7	-24	175.9	-69.4	-66.8	-51.1	0	0	113.8	N99 F101 W106 I109 V282 E283 Q285 W328 W332	N99-M287 PolarHBondContact ND2-O 3.02Å; F101-M287 HydrophobicContact CB-CE 4.19Å; F101-M287 HydrophobicContact CD1-CE 4.1Å; F101-M287 HydrophobicContact CD2-CE 3.55Å; F101-M287 HydrophobicContact CE1-CE 4.35Å; F101-M287 HydrophobicContact CE2-CE 3.82Å; F101-M287 HydrophobicContact CG-CE 3.68Å; F101-M287 HydrophobicContact CZ-CE 4.21Å; W106-M287 HydrophobicContact CE3-CG 4.41Å; W106-M287 HydrophobicContact CZ3-CG 3.7Å; I109-M287 HydrophobicContact CD1-CE 4.24Å; I109-M287 HydrophobicContact CD1-CG 4.39Å; I109-M287 HydrophobicContact CG1-CE 4.38Å; I109-M287 HydrophobicContact CG2-CE 3.49Å; I109-M287 VanDerWaalsContact CG2-CE 3.49Å; I109-M287 HydrophobicContact CG2-CG 3.78Å; I109-M287 HydrophobicContact CG2-SD 3.53Å; I109-M287 VanDerWaalsContact CG2-SD 3.53Å; V282-M287 HydrophobicContact CG1-CG 3.91Å; V282-M287 HydrophobicContact CG1-SD 3.82Å; E283-M287 PolarHBondContact O-N 2.8Å; Q285-M287 VanDerWaalsContact C-N 3.3Å; Q285-M287 PolarHBondContact O-N 3.24Å; M287-W328 HydrophobicContact CE-CE3 4.28Å; M287-W328 HydrophobicContact CE-CH2 4.17Å; M287-W328 HydrophobicContact CE-CZ2 4.41Å; M287-W328 HydrophobicContact CE-CZ3 4.08Å; M287-W328 HydrophobicContact SD-CE3 4.23Å; M287-W328 HydrophobicContact SD-CH2 3.18Å; M287-W328 WeakPolarHBondContact SD-CH2 3.44Å; M287-W328 HydrophobicContact SD-CZ2 3.71Å; M287-W328 HydrophobicContact SD-CZ3 3.47Å; M287-W328 WeakPolarHBondContact SD-CZ3 3.27Å; M287-W332 VanDerWaalsContact O-CD1 3.31Å; M287-W332 PolarHBondContact O-NE1 2.81Å
288	R	96.2	Very high	96.7	Very high	11 Å²	11	29.9 Å²	29.9	4%	0.042	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-107	3.6	-178.1	-62.4	179	-68.7	162	1.2	113	N76 S79 I96 G97 Q284 Q285 F286 K290	N76-R288 PolarHBondContact O-NH1 3.45Å; S79-R288 PolarHBondContact OG-NH1 3.18Å; S79-R288 PolarHBondContact OG-NH2 3.47Å; S79-R288 VanDerWaalsContact OG-NH2 3.13Å; I96-R288 CarbonylContact C-O 3.52Å; I96-R288 WeakPolarHBondContact CA-O 3.33Å; I96-R288 HydrophobicContact CB-CB 4.02Å; I96-R288 VanDerWaalsContact CB-O 3.27Å; I96-R288 WeakPolarHBondContact CB-O 3.23Å; I96-R288 HydrophobicContact CG2-CB 4.36Å; G97-R288 PolarHBondContact N-O 3.42Å; Q284-R288 PolarHBondContact O-NE 2.91Å; Q285-R288 CarbonylContact O-C 3.53Å; Q285-R288 PolarHBondContact O-N 3Å; F286-R288 PolarHBondContact O-N 3.16Å; R288-K290 PolarHBondContact O-N 2.87Å
289	Y	98.4	Very high	96.6	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	135.9	177.4	169.9	-92.6	0	0	0	111.4	Y94 Q285 F286 G292 Y294 W332 G333 E334 Y337 V338 R339	Y94-Y289 AromaticContact CD2-CD2 3.97Å; Y94-Y289 HydrophobicContact CD2-CD2 3.97Å; Y94-Y289 HydrophobicContact CG-CD2 4.5Å; Q285-Y289 PolarHBondContact O-N 2.95Å; F286-Y289 VanDerWaalsContact O-CB 3.28Å; F286-Y289 WeakPolarHBondContact O-CB 3.37Å; F286-Y289 PolarHBondContact O-N 3.29Å; Y289-G292 WeakPolarHBondContact CE2-O 3.08Å; Y289-G292 PolarHBondContact OH-N 2.99Å; Y289-G292 PolarHBondContact OH-O 2.9Å; Y289-Y294 HydrophobicContact CD2-CD2 4.18Å; Y289-W332 HydrophobicContact CD1-CH2 4.11Å; Y289-W332 HydrophobicContact CD1-CZ2 4.18Å; Y289-G333 WeakPolarHBondContact O-CA 3.49Å; Y289-G333 PolarHBondContact O-N 3.44Å; Y289-E334 HydrophobicContact CE1-CG 4.16Å; Y289-E334 WeakPolarHBondContact OH-CG 3.3Å; Y289-E334 PolarHBondContact OH-OE1 2.88Å; Y289-E334 PolarHBondContact OH-OE2 3.5Å; Y289-Y337 WeakPolarHBondContact CE1-O 3.38Å; Y289-V338 HydrophobicContact CD1-CB 3.81Å; Y289-V338 HydrophobicContact CD1-CG2 3.76Å; Y289-V338 HydrophobicContact CD2-CG2 3.91Å; Y289-V338 HydrophobicContact CE1-CB 3.61Å; Y289-V338 HydrophobicContact CE1-CG2 3.64Å; Y289-V338 HydrophobicContact CE2-CG2 3.75Å; Y289-V338 HydrophobicContact CG-CB 4.43Å; Y289-V338 HydrophobicContact CG-CG2 3.9Å; Y289-R339 PolarHBondContact OH-N 3.4Å
290	K	98.4	Very high	96.5	Very high	70 Å²	70	32 Å²	32	30%	0.304	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-49.4	179.3	-175.9	60.4	175.8	179.3	0	113.1	T95 R288 G333 E334	T95-K290 PolarHBondContact O-N 2.93Å; R288-K290 PolarHBondContact O-N 2.87Å; K290-G333 CarbonylContact O-C 3.44Å; K290-E334 PolarHBondContact O-N 2.61Å
291	S	98.5	Very high	96.3	Very high	44 Å²	44	34.1 Å²	34.1	31%	0.308	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	164	179.2	64.3	0	0	0	0	112.5	Y94 T95	Y94-S291 CarbonylContact C-O 3.56Å; Y94-S291 WeakPolarHBondContact CA-O 3.49Å; Y94-S291 VanDerWaalsContact CB-O 3.25Å; Y94-S291 WeakPolarHBondContact CB-O 3.22Å; T95-S291 PolarHBondContact N-O 3.43Å; T95-S291 PolarHBondContact O-N 3.02Å; T95-S291 PolarHBondContact OG1-N 2.86Å; T95-S291 PolarHBondContact OG1-OG 2.74Å
292	G	98.5	Very high	96	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.8	-165.9	178	0	0	0	0	0	113.2	Y289 E334	Y289-G292 WeakPolarHBondContact CE2-O 3.08Å; Y289-G292 PolarHBondContact OH-N 2.99Å; Y289-G292 PolarHBondContact OH-O 2.9Å; G292-E334 PolarHBondContact N-OE1 2.81Å
293	I	98.7	Very high	95.8	Very high	6 Å²	6	44 Å²	44	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.2	-178.3	-59.6	173	0	0	0	109.1	L93 Q295 E316 V319 Y321 R339 R341	L93-I293 HydrophobicContact CB-CB 4.4Å; L93-I293 WeakPolarHBondContact CB-O 3.08Å; L93-I293 PolarHBondContact O-N 3.46Å; I293-Q295 PolarHBondContact O-N 3.46Å; I293-E316 HydrophobicContact CD1-CB 4.19Å; I293-V319 HydrophobicContact CB-CG1 4.46Å; I293-V319 HydrophobicContact CD1-CB 3.76Å; I293-V319 HydrophobicContact CD1-CG1 3.68Å; I293-V319 HydrophobicContact CG2-CG1 3.96Å; I293-Y321 HydrophobicContact CD1-CD1 3.76Å; I293-Y321 HydrophobicContact CD1-CG 4.41Å; I293-Y321 HydrophobicContact CG1-CD1 4.22Å; I293-Y321 HydrophobicContact CG1-CG 4.48Å; I293-R339 CarbonylContact C-O 3.58Å; I293-R339 WeakPolarHBondContact CA-O 3.33Å; I293-R339 HydrophobicContact CG1-CB 4.38Å; I293-R341 HydrophobicContact CG2-CB 3.91Å; I293-R341 HydrophobicContact CG2-CG 4.39Å
294	Y	98.7	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.4	178	-178.6	-93.3	0	0	0	111.4	Y94 F286 Y289 R339 M340 R341	Y94-Y294 AromaticContact CD2-CD2 4Å; Y94-Y294 HydrophobicContact CD2-CD2 4Å; Y94-Y294 HydrophobicContact CE1-CD2 4.22Å; Y94-Y294 AromaticContact CE2-CD2 3.65Å; Y94-Y294 HydrophobicContact CE2-CD2 3.65Å; Y94-Y294 AromaticContact CE2-CE2 3.94Å; Y94-Y294 HydrophobicContact CE2-CE2 3.94Å; Y94-Y294 HydrophobicContact CG-CD2 4.4Å; Y94-Y294 AromaticContact CZ-CD2 3.77Å; Y94-Y294 AromaticContact CZ-CE2 3.85Å; F286-Y294 HydrophobicContact CB-CE1 4.49Å; F286-Y294 HydrophobicContact CB-CE2 3.93Å; F286-Y294 AromaticContact CD2-CD1 3.87Å; F286-Y294 HydrophobicContact CD2-CD1 3.87Å; F286-Y294 HydrophobicContact CD2-CD2 4.17Å; F286-Y294 AromaticContact CD2-CE1 3.71Å; F286-Y294 HydrophobicContact CD2-CE1 3.71Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 HydrophobicContact CD2-CG 4.1Å; F286-Y294 AromaticContact CD2-CZ 3.79Å; F286-Y294 HydrophobicContact CE2-CD1 4.37Å; F286-Y294 HydrophobicContact CG-CE2 4.45Å; Y289-Y294 HydrophobicContact CD2-CD2 4.18Å; Y294-R339 PolarHBondContact N-O 2.58Å; Y294-M340 HydrophobicContact CD1-CE 4.26Å; Y294-M340 HydrophobicContact CD1-CG 4.39Å; Y294-R341 PolarHBondContact O-N 2.85Å
295	Q	97.5	Very high	96	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	23%	0.226	C	C	.	.			trans	-145.2	149.9	171.7	62.2	178.1	14.6	0	0	109.5	Y94 I293 R341 M347	Y94-Q295 HydrophobicContact CD1-CG 4.34Å; Y94-Q295 HydrophobicContact CE1-CG 4.19Å; Y94-Q295 VanDerWaalsContact CE1-O 3.28Å; Y94-Q295 WeakPolarHBondContact CE1-O 3.28Å; I293-Q295 PolarHBondContact O-N 3.46Å; Q295-R341 HydrophobicContact CB-CB 4.35Å; Q295-M347 HydrophobicContact CB-CE 3.93Å
296	S	96.7	Very high	96.2	Very high	11 Å²	11	38 Å²	38	8%	0.077	21%	0.211	C	C	.	.			trans	-139.5	147.5	171.2	171.1	0	0	0	0	109.6	E283 S298 C299 M347	E283-S296 WeakPolarHBondContact OE2-CB 3.39Å; E283-S296 PolarHBondContact OE2-OG 2.89Å; S296-S298 PolarHBondContact OG-N 3.43Å; S296-S298 PolarHBondContact OG-OG 3.07Å; S296-C299 PolarHBondContact OG-N 3.09Å; S296-C299 VanDerWaalsContact OG-N 3.12Å; S296-M347 PolarHBondContact N-SD 2.77Å; S296-M347 WeakPolarHBondContact O-CE 3.37Å
297	Q	94	Very high	96.2	Very high	189 Å²	189	38 Å²	38	88%	0.883	21%	0.211	S	C	*	.	S	Bend	trans	-92.6	-14	171.4	-62.9	-176.8	9.2	0	0	112.1
298	S	94.9	Very high	96.4	Very high	86 Å²	86	38.1 Å²	38.1	60%	0.601	21%	0.212	S	C	*	.	S	Bend	trans	-107.2	-20	-172.6	54.2	0	0	0	0	114	E283 S296 S300	E283-S298 VanDerWaalsContact CD-OG 3.26Å; E283-S298 VanDerWaalsContact OE1-CB 3.24Å; E283-S298 WeakPolarHBondContact OE1-CB 3.33Å; E283-S298 PolarHBondContact OE1-OG 3.36Å; E283-S298 PolarHBondContact OE2-OG 3.33Å; S296-S298 PolarHBondContact OG-N 3.43Å; S296-S298 PolarHBondContact OG-OG 3.07Å; S298-S300 PolarHBondContact O-N 3.5Å
299	C	95.5	Very high	96.5	Very high	18 Å²	18	37.9 Å²	37.9	12%	0.122	21%	0.211	C	C	.	.			trans	-64.8	134.7	-177.3	68.3	0	0	0	0	111.2	N281 E283 S296 M347 C348	N281-C299 HydrophobicContact CB-CB 4.38Å; N281-C299 VanDerWaalsContact OD1-CA 3.27Å; N281-C299 WeakPolarHBondContact OD1-CA 3.42Å; N281-C299 WeakPolarHBondContact OD1-CB 3.37Å; E283-C299 HydrophobicContact CG-CB 4.1Å; E283-C299 WeakPolarHBondContact OE1-CA 3.22Å; E283-C299 PolarHBondContact OE1-N 3.33Å; E283-C299 VanDerWaalsContact OE1-N 3.11Å; E283-C299 WeakPolarHBondContact OE2-CB 3.2Å; E283-C299 PolarHBondContact OE2-N 3.38Å; S296-C299 PolarHBondContact OG-N 3.09Å; S296-C299 VanDerWaalsContact OG-N 3.12Å; C299-M347 PolarHBondContact SG-SD 2.95Å; C299-C348 HydrophobicContact CB-CB 3.77Å; C299-C348 WeakPolarHBondContact CB-SG 3.38Å; C299-C348 WeakPolarHBondContact SG-CA 3.46Å; C299-C348 WeakPolarHBondContact SG-CB 3.37Å; C299-C348 PolarHBondContact SG-N 3.4Å; C299-C348 CovalentContact SG-SG 2.05Å; C299-C348 PolarHBondContact SG-SG 3.29Å
300	S	94.9	Very high	96.5	Very high	27 Å²	27	37.8 Å²	37.8	19%	0.189	21%	0.211	C	C	.	.			trans	-75.8	136.6	-177.8	179	0	0	0	0	111.1	N281 S298 T302 E303 C348	N281-S300 WeakPolarHBondContact CB-O 3.38Å; N281-S300 PolarHBondContact OD1-N 3.29Å; S298-S300 PolarHBondContact O-N 3.5Å; S300-T302 VanDerWaalsContact C-N 3.26Å; S300-T302 PolarHBondContact OG-N 3Å; S300-T302 VanDerWaalsContact OG-N 3.11Å; S300-T302 PolarHBondContact OG-OG1 3.32Å; S300-E303 PolarHBondContact OG-N 3.31Å; S300-C348 CarbonylContact O-C 3.6Å
301	S	93.3	Very high	96.6	Very high	44 Å²	44	34.5 Å²	34.5	31%	0.308	20%	0.197	S	C	.	.	S	Bend	trans	-80.5	-7.1	169.8	60.5	0	0	0	0	113.4	G349 T352	S301-G349 WeakPolarHBondContact O-CA 3.49Å; S301-T352 PolarHBondContact O-OG1 2.96Å
302	T	90.8	Very high	96.6	Very high	92 Å²	92	32.4 Å²	32.4	56%	0.564	18%	0.182	S	C	*	.	S	Bend	trans	-118.8	-20.6	-174.7	58.7	0	0	0	0	113.9	S118 S300	S118-T302 WeakPolarHBondContact CB-O 3.47Å; S118-T302 PolarHBondContact OG-O 3.07Å; S300-T302 VanDerWaalsContact C-N 3.26Å; S300-T302 PolarHBondContact OG-N 3Å; S300-T302 VanDerWaalsContact OG-N 3.11Å; S300-T302 PolarHBondContact OG-OG1 3.32Å
303	E	93.1	Very high	96.6	Very high	130 Å²	130	32.1 Å²	32.1	61%	0.607	18%	0.178	S	C	*	.			trans	-104.8	51.9	-178.6	-58.5	-175.5	147.9	0	0	111.4	S118 N281 S300 N305	S118-E303 VanDerWaalsContact OG-CA 3.23Å; S118-E303 WeakPolarHBondContact OG-CA 3.47Å; N281-E303 PolarHBondContact ND2-O 3.18Å; S300-E303 PolarHBondContact OG-N 3.31Å; E303-N305 PolarHBondContact O-N 3.48Å
304	V	95.6	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.177	C	C	.	.			trans	-59.3	135.3	173.4	-61	0	0	0	0	110.9	L117 S118 I280 M353	L117-V304 HydrophobicContact CB-CG2 3.98Å; L117-V304 WeakPolarHBondContact CB-O 3.2Å; L117-V304 PolarHBondContact N-O 2.75Å; S118-V304 PolarHBondContact N-O 2.88Å; S118-V304 VanDerWaalsContact N-O 3.16Å; S118-V304 WeakPolarHBondContact OG-CG2 3.47Å; S118-V304 PolarHBondContact OG-N 3.01Å; S118-V304 PolarHBondContact OG-O 3.35Å; I280-V304 CarbonylContact O-C 3.47Å; I280-V304 WeakPolarHBondContact O-CA 3.13Å; V304-M353 HydrophobicContact CG2-CB 4.44Å; V304-M353 HydrophobicContact CG2-CG 3.83Å; V304-M353 HydrophobicContact CG2-SD 3.31Å; V304-M353 WeakPolarHBondContact CG2-SD 3.37Å
305	N	95.9	Very high	96.6	Very high	28 Å²	28	36.5 Å²	36.5	15%	0.15	20%	0.199	C	C	.	.			trans	-135.7	1.8	-170.7	66.6	12.1	0	0	0	114.6	L114 T115 I280 V282 E303	L114-N305 HydrophobicContact CB-CB 4.48Å; T115-N305 PolarHBondContact N-O 3.37Å; T115-N305 CarbonylContact O-C 3.17Å; T115-N305 VanDerWaalsContact O-C 3.24Å; T115-N305 WeakPolarHBondContact O-CA 3.47Å; T115-N305 VanDerWaalsContact O-CB 3.28Å; T115-N305 WeakPolarHBondContact O-CB 3.32Å; I280-N305 PolarHBondContact O-N 2.94Å; I280-N305 PolarHBondContact O-OD1 3.31Å; V282-N305 WeakPolarHBondContact CB-OD1 3.26Å; V282-N305 PolarHBondContact N-OD1 3.12Å; V282-N305 PolarHBondContact O-ND2 3.06Å; V282-N305 VanDerWaalsContact O-ND2 3.07Å; E303-N305 PolarHBondContact O-N 3.48Å
306	H	97.7	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.2	177.3	-171.6	52.9	0	0	0	110.7	L114 Q163 C169 G279 I280 V282 V308 N326 W328	L114-H306 HydrophobicContact CD2-CB 4.08Å; Q163-H306 PolarHBondContact OE1-CE1 3.47Å; C169-H306 WeakPolarHBondContact CB-CE1 3.49Å; C169-H306 WeakPolarHBondContact CB-ND1 3.38Å; C169-H306 PolarHBondContact SG-ND1 3.35Å; G279-H306 CarbonylContact C-O 3.55Å; G279-H306 WeakPolarHBondContact CA-O 3.46Å; I280-H306 HydrophobicContact CG1-CB 4.17Å; I280-H306 PolarHBondContact N-O 2.98Å; I280-H306 PolarHBondContact O-N 3.1Å; V282-H306 HydrophobicContact CB-CB 4.39Å; V282-H306 HydrophobicContact CG2-CB 3.43Å; V282-H306 VanDerWaalsContact CG2-CB 3.43Å; H306-V308 VanDerWaalsContact CD2-CG1 3.47Å; H306-V308 WeakPolarHBondContact CD2-CG1 3.33Å; H306-N326 PolarHBondContact NE2-OD1 3.22Å; H306-W328 AromaticContact CD2-CZ2 3.78Å; H306-W328 AromaticContact CE1-CE2 3.7Å; H306-W328 AromaticContact CE1-CZ2 3.59Å; H306-W328 AromaticContact CE1-NE1 3.49Å; H306-W328 PolarHBondContact CE1-NE1 2.94Å; H306-W328 AromaticContact NE2-CE2 3.68Å; H306-W328 AromaticContact NE2-CZ2 3.45Å; H306-W328 WeakPolarHBondContact NE2-CZ2 3.44Å; H306-W328 AromaticContact NE2-NE1 3.85Å
307	A	98.2	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.9	174.6	0	0	0	0	0	111	L117 C169 W170 M214 A278	L117-A307 HydrophobicContact CD2-CB 3.83Å; C169-A307 HydrophobicContact CB-CB 4.23Å; C169-A307 PolarHBondContact SG-N 3.39Å; C169-A307 VanDerWaalsContact SG-N 3.43Å; W170-A307 VanDerWaalsContact CA-CB 3.48Å; W170-A307 HydrophobicContact CB-CB 4.24Å; M214-A307 HydrophobicContact CE-CB 4.3Å; M214-A307 HydrophobicContact CG-CB 4.4Å; M214-A307 HydrophobicContact SD-CB 3.56Å; M214-A307 VanDerWaalsContact SD-CB 3.56Å; A278-A307 CarbonylContact O-C 3.6Å; A278-A307 WeakPolarHBondContact O-CA 3.48Å
308	V	98.7	Very high	96.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	173.2	-178.8	-65.4	0	0	0	0	110.3	S173 A278 I280 H306 I324 I350	S173-V308 WeakPolarHBondContact CB-O 3.46Å; S173-V308 PolarHBondContact OG-O 3.49Å; A278-V308 HydrophobicContact CB-CG2 4.35Å; A278-V308 PolarHBondContact N-O 2.04Å; A278-V308 PolarHBondContact O-N 2.75Å; I280-V308 HydrophobicContact CD1-CG1 3.77Å; I280-V308 HydrophobicContact CD1-CG2 4.31Å; I280-V308 HydrophobicContact CG1-CG1 4.07Å; I280-V308 HydrophobicContact CG1-CG2 4.23Å; I280-V308 HydrophobicContact CG2-CG2 3.98Å; H306-V308 VanDerWaalsContact CD2-CG1 3.47Å; H306-V308 WeakPolarHBondContact CD2-CG1 3.33Å; V308-I324 HydrophobicContact CB-CG2 3.44Å; V308-I324 VanDerWaalsContact CB-CG2 3.44Å; V308-I324 HydrophobicContact CG1-CG2 4.04Å; V308-I324 HydrophobicContact CG2-CG2 3.47Å; V308-I324 VanDerWaalsContact CG2-CG2 3.47Å; V308-I350 HydrophobicContact CG2-CD1 4.34Å
309	L	98.9	Very high	96.8	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.1	176.5	-176	78.4	0	0	0	109.9	A177 P275 V276 V311 I324 K325	A177-L309 HydrophobicContact CB-CD1 3.77Å; P275-L309 HydrophobicContact CB-CD1 3.81Å; P275-L309 HydrophobicContact CB-CD2 3.85Å; P275-L309 HydrophobicContact CB-CG 3.86Å; V276-L309 CarbonylContact O-C 3.43Å; L309-V311 HydrophobicContact CD2-CG1 3.84Å; L309-V311 HydrophobicContact CG-CG1 4.04Å; L309-I324 CarbonylContact O-C 3.55Å; L309-I324 WeakPolarHBondContact O-CA 3.3Å; L309-K325 HydrophobicContact CB-CB 4.21Å; L309-K325 HydrophobicContact CD2-CD 4.23Å; L309-K325 PolarHBondContact N-O 2.97Å; L309-K325 VanDerWaalsContact N-O 3.15Å; L309-K325 PolarHBondContact O-N 3.48Å
310	I	98.9	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125	173.5	-44.4	-179.9	0	0	0	108	L266 L270 P275 V276 A278 W322 I324 I350	L266-I310 HydrophobicContact CD1-CD1 4.04Å; L266-I310 HydrophobicContact CD2-CD1 3.67Å; L266-I310 HydrophobicContact CG-CD1 4.16Å; L270-I310 HydrophobicContact CD1-CG2 4.5Å; L270-I310 VanDerWaalsContact CD1-O 3.3Å; L270-I310 WeakPolarHBondContact CD1-O 3.27Å; L270-I310 HydrophobicContact CD2-CB 4.33Å; L270-I310 HydrophobicContact CD2-CG2 3.52Å; P275-I310 CarbonylContact C-O 3.48Å; P275-I310 WeakPolarHBondContact CA-O 3.48Å; V276-I310 PolarHBondContact N-O 2.89Å; V276-I310 PolarHBondContact O-N 3.42Å; A278-I310 HydrophobicContact CB-CD1 3.77Å; A278-I310 HydrophobicContact CB-CG1 3.89Å; I310-W322 HydrophobicContact CG2-CB 4.24Å; I310-W322 HydrophobicContact CG2-CD2 4.3Å; I310-W322 HydrophobicContact CG2-CE3 3.81Å; I310-I324 HydrophobicContact CG1-CG1 4.45Å; I310-I350 HydrophobicContact CD1-CD1 3.68Å; I310-I350 HydrophobicContact CD1-CG1 3.68Å; I310-I350 HydrophobicContact CG1-CD1 4Å; I310-I350 HydrophobicContact CG1-CG1 4.48Å
311	V	98.8	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-5.4	-174.7	-61.5	0	0	0	0	112.8	W151 R152 V157 P275 L309 T323 K325 Y337	W151-V311 VanDerWaalsContact CB-O 3.23Å; W151-V311 WeakPolarHBondContact CB-O 3.11Å; W151-V311 VanDerWaalsContact CD1-O 3.25Å; W151-V311 PolarHBondContact N-O 3.16Å; R152-V311 HydrophobicContact CG-CG2 4.1Å; V157-V311 HydrophobicContact CG1-CG1 3.87Å; V157-V311 HydrophobicContact CG2-CB 3.99Å; V157-V311 HydrophobicContact CG2-CG1 3.75Å; P275-V311 HydrophobicContact CB-CG1 4.3Å; L309-V311 HydrophobicContact CD2-CG1 3.84Å; L309-V311 HydrophobicContact CG-CG1 4.04Å; V311-T323 HydrophobicContact CG2-CG2 3.7Å; V311-T323 WeakPolarHBondContact CG2-O 3.45Å; V311-T323 PolarHBondContact N-O 3.45Å; V311-K325 HydrophobicContact CG1-CB 4.06Å; V311-Y337 HydrophobicContact CG2-CD1 4.11Å; V311-Y337 HydrophobicContact CG2-CE1 3.85Å
312	G	98.7	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-178.8	179.6	0	0	0	0	0	112.7	W149 T323	W149-G312 CarbonylContact O-C 3.59Å; W149-G312 WeakPolarHBondContact O-CA 3.31Å; G312-T323 PolarHBondContact N-O 3.36Å; G312-T323 PolarHBondContact O-N 2.55Å
313	Y	98.8	Very high	97.8	Very high	3 Å²	3	33 Å²	33	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.3	174.6	58.6	-95	0	0	0	109.6	P146 D147 S148 W149 K267 L270 Y321 W322	P146-Y313 WeakPolarHBondContact O-CE2 3.27Å; P146-Y313 PolarHBondContact O-OH 3.26Å; D147-Y313 WeakPolarHBondContact O-CD2 3.41Å; D147-Y313 WeakPolarHBondContact O-CE2 3.31Å; S148-Y313 CarbonylContact C-O 3.09Å; S148-Y313 WeakPolarHBondContact CA-O 3.27Å; W149-Y313 HydrophobicContact CB-CD1 4.27Å; W149-Y313 HydrophobicContact CB-CE1 3.67Å; W149-Y313 HydrophobicContact CB-CE2 4.19Å; W149-Y313 PolarHBondContact N-O 3.35Å; W149-Y313 PolarHBondContact O-N 3.09Å; W149-Y313 VanDerWaalsContact O-O 3.06Å; K267-Y313 HydrophobicContact CD-CD2 4.41Å; K267-Y313 HydrophobicContact CD-CE2 4.19Å; K267-Y313 HydrophobicContact CG-CD1 3.95Å; K267-Y313 HydrophobicContact CG-CD2 4.22Å; K267-Y313 HydrophobicContact CG-CE1 3.76Å; K267-Y313 HydrophobicContact CG-CE2 4.08Å; K267-Y313 HydrophobicContact CG-CG 4.16Å; L270-Y313 HydrophobicContact CD2-CD1 3.86Å; L270-Y313 HydrophobicContact CG-CD1 4.45Å; Y313-Y321 VanDerWaalsContact CA-O 3.24Å; Y313-Y321 WeakPolarHBondContact CA-O 3.28Å; Y313-Y321 WeakPolarHBondContact CB-O 3.26Å; Y313-W322 HydrophobicContact CD1-CZ3 4.21Å; Y313-W322 HydrophobicContact CG-CZ3 4.33Å
314	G	98.5	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-161.3	173	0	0	0	0	0	112.4	S148 Q320 Y321 R342	S148-G314 VanDerWaalsContact OG-CA 3.26Å; S148-G314 WeakPolarHBondContact OG-CA 3.26Å; G314-Q320 WeakPolarHBondContact O-CA 3.45Å; G314-Y321 PolarHBondContact N-O 3.06Å; G314-Y321 PolarHBondContact O-N 3.04Å; G314-R342 PolarHBondContact O-NH2 2.99Å
315	E	98.3	Very high	98.2	Very high	99 Å²	99	27.4 Å²	27.4	46%	0.463	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.9	176.6	-170.5	172.4	131.4	0	0	109.3	G318 V319 Q320	E315-G318 WeakPolarHBondContact OE1-CA 3.45Å; E315-V319 WeakPolarHBondContact CA-O 3.49Å; E315-Q320 HydrophobicContact CB-CG 4.23Å; E315-Q320 HydrophobicContact CG-CG 3.93Å; E315-Q320 VanDerWaalsContact OE2-CG 3.24Å; E315-Q320 WeakPolarHBondContact OE2-CG 3.2Å; E315-Q320 PolarHBondContact OE2-NE2 2.82Å
316	E	97.8	Very high	98.4	Very high	81 Å²	81	26.3 Å²	26.3	38%	0.379	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.6	174.3	-179.2	178.1	97.9	0	0	108.2	I293 G318 V319 Y321 R339	I293-E316 HydrophobicContact CD1-CB 4.19Å; E316-G318 VanDerWaalsContact C-N 3.25Å; E316-G318 PolarHBondContact O-N 3.41Å; E316-V319 PolarHBondContact N-O 3.2Å; E316-V319 WeakPolarHBondContact O-CB 3.41Å; E316-V319 PolarHBondContact O-N 2.91Å; E316-Y321 HydrophobicContact CB-CD1 4.47Å; E316-Y321 HydrophobicContact CB-CE1 4.01Å; E316-R339 IonicContact OE1-NH1 3.42Å; E316-R339 PolarHBondContact OE1-NH1 3.1Å; E316-R339 IonicContact OE2-CZ 3.5Å; E316-R339 IonicContact OE2-NH1 2.86Å; E316-R339 PolarHBondContact OE2-NH1 3.04Å
317	N	95.8	Very high	98.4	Very high	156 Å²	156	26.6 Å²	26.6	83%	0.834	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.1	179.7	-56.7	-39.4	0	0	0	114.1	V319	N317-V319 PolarHBondContact O-N 2.83Å
318	G	97.1	Very high	98.3	Very high	59 Å²	59	26.8 Å²	26.8	61%	0.608	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	1.6	-177.9	0	0	0	0	0	114.7	E315 E316	E315-G318 WeakPolarHBondContact OE1-CA 3.45Å; E316-G318 VanDerWaalsContact C-N 3.25Å; E316-G318 PolarHBondContact O-N 3.41Å
319	V	98.2	Very high	98.3	Very high	25 Å²	25	26.9 Å²	26.9	15%	0.152	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.8	177.5	-174.3	0	0	0	0	109.8	L93 I293 E315 E316 N317 R341	L93-V319 HydrophobicContact CD1-CG1 3.96Å; L93-V319 HydrophobicContact CD1-CG2 4.13Å; I293-V319 HydrophobicContact CB-CG1 4.46Å; I293-V319 HydrophobicContact CD1-CB 3.76Å; I293-V319 HydrophobicContact CD1-CG1 3.68Å; I293-V319 HydrophobicContact CG2-CG1 3.96Å; E315-V319 WeakPolarHBondContact CA-O 3.49Å; E316-V319 PolarHBondContact N-O 3.2Å; E316-V319 WeakPolarHBondContact O-CB 3.41Å; E316-V319 PolarHBondContact O-N 2.91Å; N317-V319 PolarHBondContact O-N 2.83Å; V319-R341 HydrophobicContact CG1-CG 4.11Å
320	Q	98.5	Very high	98.2	Very high	60 Å²	60	31 Å²	31	28%	0.28	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.1	177.6	-67.9	-172.9	-15.6	0	0	111.4	G314 E315 R341 R342 N343	G314-Q320 WeakPolarHBondContact O-CA 3.45Å; E315-Q320 HydrophobicContact CB-CG 4.23Å; E315-Q320 HydrophobicContact CG-CG 3.93Å; E315-Q320 VanDerWaalsContact OE2-CG 3.24Å; E315-Q320 WeakPolarHBondContact OE2-CG 3.2Å; E315-Q320 PolarHBondContact OE2-NE2 2.82Å; Q320-R341 WeakPolarHBondContact O-CA 3.45Å; Q320-R342 HydrophobicContact CB-CB 4.24Å; Q320-R342 PolarHBondContact O-N 3.21Å; Q320-R342 VanDerWaalsContact OE1-NH1 3.08Å; Q320-N343 PolarHBondContact OE1-ND2 3.25Å
321	Y	98.8	Very high	97.9	Very high	38 Å²	38	33 Å²	33	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.7	179.4	64.2	-96.2	0	0	0	113.3	I293 Y313 G314 E316 R339 M340 R342	I293-Y321 HydrophobicContact CD1-CD1 3.76Å; I293-Y321 HydrophobicContact CD1-CG 4.41Å; I293-Y321 HydrophobicContact CG1-CD1 4.22Å; I293-Y321 HydrophobicContact CG1-CG 4.48Å; Y313-Y321 VanDerWaalsContact CA-O 3.24Å; Y313-Y321 WeakPolarHBondContact CA-O 3.28Å; Y313-Y321 WeakPolarHBondContact CB-O 3.26Å; G314-Y321 PolarHBondContact N-O 3.06Å; G314-Y321 PolarHBondContact O-N 3.04Å; E316-Y321 HydrophobicContact CB-CD1 4.47Å; E316-Y321 HydrophobicContact CB-CE1 4.01Å; Y321-R339 HydrophobicContact CD2-CB 3.92Å; Y321-R339 HydrophobicContact CD2-CG 3.69Å; Y321-R339 HydrophobicContact CE2-CG 3.9Å; Y321-R339 HydrophobicContact CG-CB 4.1Å; Y321-R339 HydrophobicContact CG-CG 4.28Å; Y321-M340 CarbonylContact C-O 3.6Å; Y321-M340 WeakPolarHBondContact CA-O 3.34Å; Y321-M340 WeakPolarHBondContact CB-O 3.47Å; Y321-R342 PolarHBondContact O-NE 3.21Å
322	W	98.9	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.1	160.3	-63.5	113.7	0	0	0	109.3	E263 L266 K267 L270 I310 Y313 I324 R339 M340 R342 I350	E263-W322 HydrophobicContact CB-CZ2 4.11Å; E263-W322 HydrophobicContact CG-CZ2 4.41Å; E263-W322 PolarHBondContact OE1-NE1 2.95Å; L266-W322 HydrophobicContact CB-CH2 4.1Å; L266-W322 HydrophobicContact CB-CZ2 4.23Å; L266-W322 HydrophobicContact CD2-CH2 4.15Å; L266-W322 HydrophobicContact CD2-CZ2 3.77Å; L266-W322 HydrophobicContact CG-CH2 3.84Å; L266-W322 HydrophobicContact CG-CZ2 3.98Å; L266-W322 HydrophobicContact CG-CZ3 4.39Å; K267-W322 HydrophobicContact CB-CH2 3.73Å; K267-W322 HydrophobicContact CB-CZ3 4.24Å; K267-W322 HydrophobicContact CG-CH2 4.41Å; L270-W322 HydrophobicContact CD2-CE3 4.04Å; L270-W322 HydrophobicContact CD2-CZ3 3.84Å; I310-W322 HydrophobicContact CG2-CB 4.24Å; I310-W322 HydrophobicContact CG2-CD2 4.3Å; I310-W322 HydrophobicContact CG2-CE3 3.81Å; Y313-W322 HydrophobicContact CD1-CZ3 4.21Å; Y313-W322 HydrophobicContact CG-CZ3 4.33Å; W322-I324 HydrophobicContact CB-CD1 4.17Å; W322-I324 HydrophobicContact CB-CG1 3.95Å; W322-R339 CarbonylContact O-C 3.57Å; W322-R339 WeakPolarHBondContact O-CA 3.49Å; W322-M340 PolarHBondContact N-O 2.94Å; W322-M340 PolarHBondContact O-N 3.26Å; W322-R342 HydrophobicContact CD2-CB 4.22Å; W322-R342 HydrophobicContact CD2-CG 4.02Å; W322-R342 VanDerWaalsContact CE2-CG 3.4Å; W322-R342 HydrophobicContact CG-CB 4.09Å; W322-R342 HydrophobicContact CG-CG 4.4Å; W322-R342 VanDerWaalsContact CH2-CD 3.42Å; W322-R342 HydrophobicContact CH2-CG 4.25Å; W322-R342 HydrophobicContact CZ2-CG 3.56Å; W322-I350 HydrophobicContact CG-CG1 4.43Å
323	T	98.9	Very high	97.8	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.1	165.9	-55.8	0	0	0	0	108.4	V311 G312 Y337	V311-T323 HydrophobicContact CG2-CG2 3.7Å; V311-T323 WeakPolarHBondContact CG2-O 3.45Å; V311-T323 PolarHBondContact N-O 3.45Å; G312-T323 PolarHBondContact N-O 3.36Å; G312-T323 PolarHBondContact O-N 2.55Å; T323-Y337 HydrophobicContact CG2-CD1 4.24Å
324	I	98.9	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.9	-171.3	-58.1	173.9	0	0	0	109.4	V308 L309 I310 W322 Y337 V338 M340 I350	V308-I324 HydrophobicContact CB-CG2 3.44Å; V308-I324 VanDerWaalsContact CB-CG2 3.44Å; V308-I324 HydrophobicContact CG1-CG2 4.04Å; V308-I324 HydrophobicContact CG2-CG2 3.47Å; V308-I324 VanDerWaalsContact CG2-CG2 3.47Å; L309-I324 CarbonylContact O-C 3.55Å; L309-I324 WeakPolarHBondContact O-CA 3.3Å; I310-I324 HydrophobicContact CG1-CG1 4.45Å; W322-I324 HydrophobicContact CB-CD1 4.17Å; W322-I324 HydrophobicContact CB-CG1 3.95Å; I324-Y337 CarbonylContact O-C 3.53Å; I324-Y337 WeakPolarHBondContact O-CA 3.42Å; I324-Y337 WeakPolarHBondContact O-CB 3.36Å; I324-Y337 WeakPolarHBondContact O-CD1 3.49Å; I324-V338 HydrophobicContact CB-CG1 3.76Å; I324-V338 HydrophobicContact CD1-CG1 4.42Å; I324-V338 HydrophobicContact CG2-CG1 4.17Å; I324-V338 PolarHBondContact N-O 3.49Å; I324-V338 PolarHBondContact O-N 3.09Å; I324-M340 HydrophobicContact CD1-CB 3.6Å; I324-M340 HydrophobicContact CD1-CE 4.03Å; I324-M340 HydrophobicContact CD1-CG 4.39Å; I324-M340 HydrophobicContact CD1-SD 3.99Å; I324-I350 HydrophobicContact CD1-CD1 3.56Å; I324-I350 HydrophobicContact CD1-CG1 4.34Å; I324-I350 HydrophobicContact CG1-CD1 4.39Å
325	K	98.9	Very high	97.8	Very high	14 Å²	14	43 Å²	43	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.8	170.4	-172.7	-179.9	176	178.3	0	110	V157 S158 K159 V160 L309 V311 Y337	V157-K325 HydrophobicContact CG1-CD 3.74Å; S158-K325 VanDerWaalsContact C-NZ 3.29Å; S158-K325 PolarHBondContact O-NZ 2.61Å; S158-K325 PolarHBondContact OG-NZ 2.93Å; K159-K325 VanDerWaalsContact O-CE 3.31Å; K159-K325 WeakPolarHBondContact O-CE 3.38Å; K159-K325 PolarHBondContact O-NZ 2.79Å; V160-K325 HydrophobicContact CG2-CG 4.26Å; L309-K325 HydrophobicContact CB-CB 4.21Å; L309-K325 HydrophobicContact CD2-CD 4.23Å; L309-K325 PolarHBondContact N-O 2.97Å; L309-K325 VanDerWaalsContact N-O 3.15Å; L309-K325 PolarHBondContact O-N 3.48Å; V311-K325 HydrophobicContact CG1-CB 4.06Å; K325-Y337 HydrophobicContact CB-CD1 3.83Å; K325-Y337 HydrophobicContact CB-CE1 3.43Å; K325-Y337 VanDerWaalsContact CB-CE1 3.43Å; K325-Y337 HydrophobicContact CD-CE1 4.23Å; K325-Y337 HydrophobicContact CG-CD1 4.3Å; K325-Y337 HydrophobicContact CG-CE1 3.67Å
326	N	98.6	Very high	97.8	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	21%	0.214	C	C	.	.			trans	-103.9	173	174.3	-156.8	-5	0	0	0	111.5	H306 W328 W332 G336	H306-N326 PolarHBondContact NE2-OD1 3.22Å; N326-W328 VanDerWaalsContact ND2-CD2 3.28Å; N326-W328 VanDerWaalsContact ND2-CZ3 3.29Å; N326-W328 WeakPolarHBondContact ND2-CZ3 3.04Å; N326-W332 HydrophobicContact CB-CE3 3.79Å; N326-W332 HydrophobicContact CB-CH2 4.12Å; N326-W332 HydrophobicContact CB-CZ3 3.42Å; N326-W332 VanDerWaalsContact CB-CZ3 3.42Å; N326-W332 WeakPolarHBondContact ND2-CH2 3.43Å; N326-W332 WeakPolarHBondContact ND2-CZ2 3.03Å; N326-W332 WeakPolarHBondContact ND2-CZ3 3.15Å; N326-G336 WeakPolarHBondContact CB-O 3.33Å; N326-G336 PolarHBondContact N-O 3.14Å
327	S	98.2	Very high	97.8	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.042	20%	0.201	C	C	.	.	S	Bend	trans	-116.3	29.2	179.4	49	0	0	0	0	112.7	K161 V162 Q163	K161-S327 CarbonylContact O-C 3.53Å; K161-S327 WeakPolarHBondContact O-CA 3.21Å; V162-S327 CarbonylContact C-O 3.59Å; V162-S327 WeakPolarHBondContact CA-O 3.5Å; Q163-S327 PolarHBondContact N-O 3.41Å; Q163-S327 PolarHBondContact OE1-OG 2.75Å
328	W	97.3	Very high	98	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-108.4	20.4	-179.6	-62.7	-17.3	0	0	0	113.3	Q100 F101 L114 V282 F286 M287 H306 N326 W332	Q100-W328 PolarHBondContact NE2-O 3.1Å; F101-W328 HydrophobicContact CE2-CB 3.9Å; F101-W328 HydrophobicContact CE2-CD2 4.01Å; F101-W328 AromaticContact CE2-CE3 3.94Å; F101-W328 HydrophobicContact CE2-CE3 3.94Å; F101-W328 HydrophobicContact CE2-CG 4Å; F101-W328 HydrophobicContact CZ-CB 3.83Å; F101-W328 HydrophobicContact CZ-CD2 4.13Å; F101-W328 AromaticContact CZ-CG 3.81Å; F101-W328 HydrophobicContact CZ-CG 3.81Å; L114-W328 HydrophobicContact CD2-CZ2 4.23Å; V282-W328 HydrophobicContact CG1-CH2 3.92Å; V282-W328 HydrophobicContact CG2-CH2 4.1Å; F286-W328 AromaticContact CD1-CH2 3.84Å; F286-W328 HydrophobicContact CD1-CH2 3.84Å; F286-W328 AromaticContact CD1-CZ3 3.82Å; F286-W328 HydrophobicContact CD1-CZ3 3.82Å; F286-W328 AromaticContact CE1-CH2 3.83Å; F286-W328 HydrophobicContact CE1-CH2 3.83Å; F286-W328 AromaticContact CE1-CZ3 3.79Å; F286-W328 HydrophobicContact CE1-CZ3 3.79Å; M287-W328 HydrophobicContact CE-CE3 4.28Å; M287-W328 HydrophobicContact CE-CH2 4.17Å; M287-W328 HydrophobicContact CE-CZ2 4.41Å; M287-W328 HydrophobicContact CE-CZ3 4.08Å; M287-W328 HydrophobicContact SD-CE3 4.23Å; M287-W328 HydrophobicContact SD-CH2 3.18Å; M287-W328 WeakPolarHBondContact SD-CH2 3.44Å; M287-W328 HydrophobicContact SD-CZ2 3.71Å; M287-W328 HydrophobicContact SD-CZ3 3.47Å; M287-W328 WeakPolarHBondContact SD-CZ3 3.27Å; H306-W328 AromaticContact CD2-CZ2 3.78Å; H306-W328 AromaticContact CE1-CE2 3.7Å; H306-W328 AromaticContact CE1-CZ2 3.59Å; H306-W328 AromaticContact CE1-NE1 3.49Å; H306-W328 PolarHBondContact CE1-NE1 2.94Å; H306-W328 AromaticContact NE2-CE2 3.68Å; H306-W328 AromaticContact NE2-CZ2 3.45Å; H306-W328 WeakPolarHBondContact NE2-CZ2 3.44Å; H306-W328 AromaticContact NE2-NE1 3.85Å; N326-W328 VanDerWaalsContact ND2-CD2 3.28Å; N326-W328 VanDerWaalsContact ND2-CZ3 3.29Å; N326-W328 WeakPolarHBondContact ND2-CZ3 3.04Å; W328-W332 HydrophobicContact CB-CB 4.15Å; W328-W332 HydrophobicContact CB-CG 4.25Å; W328-W332 AromaticContact CE3-CD1 3.66Å; W328-W332 AromaticContact CE3-CD2 3.79Å; W328-W332 HydrophobicContact CE3-CD2 3.79Å; W328-W332 AromaticContact CE3-CE2 3.49Å; W328-W332 VanDerWaalsContact CE3-CE2 3.49Å; W328-W332 AromaticContact CE3-CG 3.91Å; W328-W332 HydrophobicContact CE3-CG 3.91Å; W328-W332 HydrophobicContact CE3-CZ2 4.01Å; W328-W332 AromaticContact CE3-NE1 3.42Å; W328-W332 HydrophobicContact CZ3-CD2 4.37Å; W328-W332 AromaticContact CZ3-CE2 3.61Å; W328-W332 AromaticContact CZ3-CZ2 3.74Å; W328-W332 HydrophobicContact CZ3-CZ2 3.74Å; W328-W332 AromaticContact CZ3-NE1 3.56Å
329	G	96.9	Very high	98.1	Very high	4 Å²	4	27 Å²	27	4%	0.041	14%	0.138	C	C	.	.			trans	75.1	169.7	-178.3	0	0	0	0	0	114.3	K161 S331 W332 G336	K161-G329 PolarHBondContact O-N 3.17Å; G329-S331 VanDerWaalsContact C-N 3.31Å; G329-S331 PolarHBondContact O-N 3.36Å; G329-W332 PolarHBondContact O-N 3.21Å; G329-G336 WeakPolarHBondContact O-CA 3.42Å
330	T	96.6	Very high	98.1	Very high	93 Å²	93	25.8 Å²	25.8	57%	0.571	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.8	-173	52.4	0	0	0	0	113.8	V160 W332 E335	V160-T330 HydrophobicContact CB-CG2 3.97Å; V160-T330 HydrophobicContact CG1-CG2 4.45Å; T330-W332 PolarHBondContact O-N 2.87Å; T330-E335 WeakPolarHBondContact O-CA 3.12Å
331	S	93.4	Very high	98.1	Very high	41 Å²	41	26 Å²	26	29%	0.287	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.5	174.6	53.1	0	0	0	0	113.2	Q100 G329	Q100-S331 PolarHBondContact OE1-OG 3.3Å; G329-S331 VanDerWaalsContact C-N 3.31Å; G329-S331 PolarHBondContact O-N 3.36Å
332	W	97.7	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-91.8	139.8	176.8	-180	89.5	0	0	0	111	F286 M287 Y289 N326 W328 G329 T330 G336 V338	F286-W332 HydrophobicContact CD1-CH2 4.47Å; F286-W332 AromaticContact CD1-CZ2 3.84Å; F286-W332 HydrophobicContact CD1-CZ2 3.84Å; F286-W332 AromaticContact CE1-CH2 3.67Å; F286-W332 HydrophobicContact CE1-CH2 3.67Å; F286-W332 AromaticContact CE1-CZ2 3.44Å; F286-W332 HydrophobicContact CE1-CZ2 3.44Å; F286-W332 VanDerWaalsContact CE1-CZ2 3.44Å; F286-W332 HydrophobicContact CE2-CH2 4.49Å; F286-W332 AromaticContact CZ-CH2 3.69Å; F286-W332 HydrophobicContact CZ-CH2 3.69Å; F286-W332 AromaticContact CZ-CZ2 3.89Å; F286-W332 HydrophobicContact CZ-CZ2 3.89Å; F286-W332 WeakPolarHBondContact O-CZ2 3.28Å; F286-W332 PolarHBondContact O-NE1 2.9Å; M287-W332 VanDerWaalsContact O-CD1 3.31Å; M287-W332 PolarHBondContact O-NE1 2.81Å; Y289-W332 HydrophobicContact CD1-CH2 4.11Å; Y289-W332 HydrophobicContact CD1-CZ2 4.18Å; N326-W332 HydrophobicContact CB-CE3 3.79Å; N326-W332 HydrophobicContact CB-CH2 4.12Å; N326-W332 HydrophobicContact CB-CZ3 3.42Å; N326-W332 VanDerWaalsContact CB-CZ3 3.42Å; N326-W332 WeakPolarHBondContact ND2-CH2 3.43Å; N326-W332 WeakPolarHBondContact ND2-CZ2 3.03Å; N326-W332 WeakPolarHBondContact ND2-CZ3 3.15Å; W328-W332 HydrophobicContact CB-CB 4.15Å; W328-W332 HydrophobicContact CB-CG 4.25Å; W328-W332 AromaticContact CE3-CD1 3.66Å; W328-W332 AromaticContact CE3-CD2 3.79Å; W328-W332 HydrophobicContact CE3-CD2 3.79Å; W328-W332 AromaticContact CE3-CE2 3.49Å; W328-W332 VanDerWaalsContact CE3-CE2 3.49Å; W328-W332 AromaticContact CE3-CG 3.91Å; W328-W332 HydrophobicContact CE3-CG 3.91Å; W328-W332 HydrophobicContact CE3-CZ2 4.01Å; W328-W332 AromaticContact CE3-NE1 3.42Å; W328-W332 HydrophobicContact CZ3-CD2 4.37Å; W328-W332 AromaticContact CZ3-CE2 3.61Å; W328-W332 AromaticContact CZ3-CZ2 3.74Å; W328-W332 HydrophobicContact CZ3-CZ2 3.74Å; W328-W332 AromaticContact CZ3-NE1 3.56Å; G329-W332 PolarHBondContact O-N 3.21Å; T330-W332 PolarHBondContact O-N 2.87Å; W332-G336 WeakPolarHBondContact O-CA 3.28Å; W332-G336 PolarHBondContact O-N 3.31Å; W332-V338 HydrophobicContact CH2-CB 3.71Å; W332-V338 HydrophobicContact CH2-CG1 3.83Å; W332-V338 HydrophobicContact CZ3-CB 4.11Å; W332-V338 HydrophobicContact CZ3-CG1 4.3Å
333	G	98.4	Very high	98	Very high	5 Å²	5	28.3 Å²	28.3	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-151.3	175.8	0	0	0	0	0	115.4	Y289 K290 E335	Y289-G333 WeakPolarHBondContact O-CA 3.49Å; Y289-G333 PolarHBondContact O-N 3.44Å; K290-G333 CarbonylContact O-C 3.44Å; G333-E335 PolarHBondContact O-N 2.84Å; G333-E335 VanDerWaalsContact O-N 3.14Å
334	E	98.6	Very high	97.9	Very high	51 Å²	51	31.6 Å²	31.6	24%	0.238	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-83.6	79.5	176.4	-64.4	177.2	151.9	0	0	108.1	Y289 K290 G292 G336 Y337 R339	Y289-E334 HydrophobicContact CE1-CG 4.16Å; Y289-E334 WeakPolarHBondContact OH-CG 3.3Å; Y289-E334 PolarHBondContact OH-OE1 2.88Å; Y289-E334 PolarHBondContact OH-OE2 3.5Å; K290-E334 PolarHBondContact O-N 2.61Å; G292-E334 PolarHBondContact N-OE1 2.81Å; E334-G336 VanDerWaalsContact C-N 3.27Å; E334-G336 PolarHBondContact O-N 3.05Å; E334-Y337 PolarHBondContact N-O 3.22Å; E334-Y337 WeakPolarHBondContact O-CB 3.44Å; E334-Y337 PolarHBondContact O-N 3.2Å; E334-R339 IonicContact OE1-CZ 3.21Å; E334-R339 IonicContact OE1-NE 3.1Å; E334-R339 PolarHBondContact OE1-NE 3.42Å; E334-R339 IonicContact OE1-NH2 3.82Å; E334-R339 PolarHBondContact OE1-NH2 2.93Å; E334-R339 IonicContact OE2-NE 2.74Å; E334-R339 PolarHBondContact OE2-NE 3.32Å; E334-R339 VanDerWaalsContact OE2-NE 3.1Å
335	E	97.8	Very high	97.8	Very high	158 Å²	158	38.8 Å²	38.8	74%	0.738	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	39.8	-175.9	-59.4	-177	-179.2	0	0	113.5	V160 T330 G333	V160-E335 WeakPolarHBondContact CG2-O 3.43Å; T330-E335 WeakPolarHBondContact O-CA 3.12Å; G333-E335 PolarHBondContact O-N 2.84Å; G333-E335 VanDerWaalsContact O-N 3.14Å
336	G	98.5	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	4.3	-178.3	0	0	0	0	0	115	N326 G329 W332 E334	N326-G336 WeakPolarHBondContact CB-O 3.33Å; N326-G336 PolarHBondContact N-O 3.14Å; G329-G336 WeakPolarHBondContact O-CA 3.42Å; W332-G336 WeakPolarHBondContact O-CA 3.28Å; W332-G336 PolarHBondContact O-N 3.31Å; E334-G336 VanDerWaalsContact C-N 3.27Å; E334-G336 PolarHBondContact O-N 3.05Å
337	Y	98.8	Very high	97.7	Very high	24 Å²	24	38.7 Å²	38.7	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	161	174.8	-63.3	-97	0	0	0	111.8	R152 V160 Y289 V311 T323 I324 K325 E334	R152-Y337 HydrophobicContact CG-CE1 4.27Å; V160-Y337 HydrophobicContact CG2-CD2 4.07Å; V160-Y337 HydrophobicContact CG2-CE2 3.48Å; V160-Y337 VanDerWaalsContact CG2-CE2 3.48Å; Y289-Y337 WeakPolarHBondContact CE1-O 3.38Å; V311-Y337 HydrophobicContact CG2-CD1 4.11Å; V311-Y337 HydrophobicContact CG2-CE1 3.85Å; T323-Y337 HydrophobicContact CG2-CD1 4.24Å; I324-Y337 CarbonylContact O-C 3.53Å; I324-Y337 WeakPolarHBondContact O-CA 3.42Å; I324-Y337 WeakPolarHBondContact O-CB 3.36Å; I324-Y337 WeakPolarHBondContact O-CD1 3.49Å; K325-Y337 HydrophobicContact CB-CD1 3.83Å; K325-Y337 HydrophobicContact CB-CE1 3.43Å; K325-Y337 VanDerWaalsContact CB-CE1 3.43Å; K325-Y337 HydrophobicContact CD-CE1 4.23Å; K325-Y337 HydrophobicContact CG-CD1 4.3Å; K325-Y337 HydrophobicContact CG-CE1 3.67Å; E334-Y337 PolarHBondContact N-O 3.22Å; E334-Y337 WeakPolarHBondContact O-CB 3.44Å; E334-Y337 PolarHBondContact O-N 3.2Å
338	V	98.8	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.8	167.7	57.2	0	0	0	0	109.5	F286 Y289 I324 W332	F286-V338 HydrophobicContact CE2-CG1 3.99Å; F286-V338 HydrophobicContact CE2-CG2 4.16Å; F286-V338 HydrophobicContact CZ-CG1 3.84Å; Y289-V338 HydrophobicContact CD1-CB 3.81Å; Y289-V338 HydrophobicContact CD1-CG2 3.76Å; Y289-V338 HydrophobicContact CD2-CG2 3.91Å; Y289-V338 HydrophobicContact CE1-CB 3.61Å; Y289-V338 HydrophobicContact CE1-CG2 3.64Å; Y289-V338 HydrophobicContact CE2-CG2 3.75Å; Y289-V338 HydrophobicContact CG-CB 4.43Å; Y289-V338 HydrophobicContact CG-CG2 3.9Å; I324-V338 HydrophobicContact CB-CG1 3.76Å; I324-V338 HydrophobicContact CD1-CG1 4.42Å; I324-V338 HydrophobicContact CG2-CG1 4.17Å; I324-V338 PolarHBondContact N-O 3.49Å; I324-V338 PolarHBondContact O-N 3.09Å; W332-V338 HydrophobicContact CH2-CB 3.71Å; W332-V338 HydrophobicContact CH2-CG1 3.83Å; W332-V338 HydrophobicContact CZ3-CB 4.11Å; W332-V338 HydrophobicContact CZ3-CG1 4.3Å
339	R	98.8	Very high	97.7	Very high	34 Å²	34	38.3 Å²	38.3	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117	162.9	-68.8	179.1	-69	154.4	-0.7	108	Y289 I293 Y294 E316 Y321 W322 E334	Y289-R339 PolarHBondContact OH-N 3.4Å; I293-R339 CarbonylContact C-O 3.58Å; I293-R339 WeakPolarHBondContact CA-O 3.33Å; I293-R339 HydrophobicContact CG1-CB 4.38Å; Y294-R339 PolarHBondContact N-O 2.58Å; E316-R339 IonicContact OE1-NH1 3.42Å; E316-R339 PolarHBondContact OE1-NH1 3.1Å; E316-R339 IonicContact OE2-CZ 3.5Å; E316-R339 IonicContact OE2-NH1 2.86Å; E316-R339 PolarHBondContact OE2-NH1 3.04Å; Y321-R339 HydrophobicContact CD2-CB 3.92Å; Y321-R339 HydrophobicContact CD2-CG 3.69Å; Y321-R339 HydrophobicContact CE2-CG 3.9Å; Y321-R339 HydrophobicContact CG-CB 4.1Å; Y321-R339 HydrophobicContact CG-CG 4.28Å; W322-R339 CarbonylContact O-C 3.57Å; W322-R339 WeakPolarHBondContact O-CA 3.49Å; E334-R339 IonicContact OE1-CZ 3.21Å; E334-R339 IonicContact OE1-NE 3.1Å; E334-R339 PolarHBondContact OE1-NE 3.42Å; E334-R339 IonicContact OE1-NH2 3.82Å; E334-R339 PolarHBondContact OE1-NH2 2.93Å; E334-R339 IonicContact OE2-NE 2.74Å; E334-R339 PolarHBondContact OE2-NE 3.32Å; E334-R339 VanDerWaalsContact OE2-NE 3.1Å
340	M	98.8	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.7	-179.5	-178.8	178.9	-68.5	0	0	109.4	I280 F286 Y294 Y321 W322 I324 R342 M347 C348 I350	I280-M340 HydrophobicContact CB-CE 4.4Å; I280-M340 HydrophobicContact CD1-CE 3.94Å; I280-M340 HydrophobicContact CG2-CE 4.02Å; I280-M340 HydrophobicContact CG2-SD 4.27Å; F286-M340 HydrophobicContact CD2-CE 4.25Å; F286-M340 HydrophobicContact CE2-CE 3.57Å; F286-M340 HydrophobicContact CZ-CE 4.41Å; Y294-M340 HydrophobicContact CD1-CE 4.26Å; Y294-M340 HydrophobicContact CD1-CG 4.39Å; Y321-M340 CarbonylContact C-O 3.6Å; Y321-M340 WeakPolarHBondContact CA-O 3.34Å; Y321-M340 WeakPolarHBondContact CB-O 3.47Å; W322-M340 PolarHBondContact N-O 2.94Å; W322-M340 PolarHBondContact O-N 3.26Å; I324-M340 HydrophobicContact CD1-CB 3.6Å; I324-M340 HydrophobicContact CD1-CE 4.03Å; I324-M340 HydrophobicContact CD1-CG 4.39Å; I324-M340 HydrophobicContact CD1-SD 3.99Å; M340-R342 PolarHBondContact O-N 2.94Å; M340-M347 HydrophobicContact CG-CG 3.78Å; M340-M347 HydrophobicContact SD-CG 4.09Å; M340-C348 HydrophobicContact CE-CB 4.45Å; M340-C348 HydrophobicContact SD-CB 4.37Å; M340-I350 HydrophobicContact SD-CB 4.25Å; M340-I350 HydrophobicContact SD-CD1 4.45Å
341	R	98.5	Very high	97.7	Very high	64 Å²	64	33.7 Å²	33.7	24%	0.242	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	126.3	-178.3	-164.3	172.6	179.3	169	-2.5	111.1	I293 Y294 Q295 V319 Q320 Y344 M347	I293-R341 HydrophobicContact CG2-CB 3.91Å; I293-R341 HydrophobicContact CG2-CG 4.39Å; Y294-R341 PolarHBondContact O-N 2.85Å; Q295-R341 HydrophobicContact CB-CB 4.35Å; V319-R341 HydrophobicContact CG1-CG 4.11Å; Q320-R341 WeakPolarHBondContact O-CA 3.45Å; R341-Y344 HydrophobicContact CG-CG 4.09Å; R341-M347 WeakPolarHBondContact O-CB 3.29Å
342	R	98.5	Very high	97.7	Very high	8 Å²	8	32 Å²	32	3%	0.03	15%	0.151	C	C	.	.			trans	-102.8	153.6	-179.7	174.1	170.3	62.6	75.3	-2.2	109.9	E263 G314 Q320 Y321 W322 M340 Y344	E263-R342 WeakPolarHBondContact OE1-CA 3.19Å; G314-R342 PolarHBondContact O-NH2 2.99Å; Q320-R342 HydrophobicContact CB-CB 4.24Å; Q320-R342 PolarHBondContact O-N 3.21Å; Q320-R342 VanDerWaalsContact OE1-NH1 3.08Å; Y321-R342 PolarHBondContact O-NE 3.21Å; W322-R342 HydrophobicContact CD2-CB 4.22Å; W322-R342 HydrophobicContact CD2-CG 4.02Å; W322-R342 VanDerWaalsContact CE2-CG 3.4Å; W322-R342 HydrophobicContact CG-CB 4.09Å; W322-R342 HydrophobicContact CG-CG 4.4Å; W322-R342 VanDerWaalsContact CH2-CD 3.42Å; W322-R342 HydrophobicContact CH2-CG 4.25Å; W322-R342 HydrophobicContact CZ2-CG 3.56Å; M340-R342 PolarHBondContact O-N 2.94Å; R342-Y344 PolarHBondContact O-N 3.14Å
343	N	97.2	Very high	97.5	Very high	80 Å²	80	32.2 Å²	32.2	43%	0.428	15%	0.152	S	C	.	.	S	Bend	trans	56	42.2	-178.6	-67.9	-19.3	0	0	0	111.5	E263 Q320	E263-N343 VanDerWaalsContact CD-N 3.3Å; E263-N343 PolarHBondContact OE1-N 3.3Å; E263-N343 VanDerWaalsContact OE2-CA 3.31Å; E263-N343 WeakPolarHBondContact OE2-CA 3.2Å; E263-N343 PolarHBondContact OE2-N 2.94Å; E263-N343 VanDerWaalsContact OE2-N 3.14Å; Q320-N343 PolarHBondContact OE1-ND2 3.25Å
344	Y	97.3	Very high	97.4	Very high	74 Å²	74	32.2 Å²	32.2	29%	0.29	15%	0.151	S	C	.	.	S	Bend	trans	-136.9	73.4	-178.2	-169.7	-95.1	0	0	0	108.6	E263 R341 R342 N346 M347	E263-Y344 PolarHBondContact OE2-N 2.74Å; R341-Y344 HydrophobicContact CG-CG 4.09Å; R342-Y344 PolarHBondContact O-N 3.14Å; Y344-N346 VanDerWaalsContact C-N 3.32Å; Y344-N346 PolarHBondContact O-N 2.04Å; Y344-M347 HydrophobicContact CD1-CE 3.18Å; Y344-M347 HydrophobicContact CE1-CE 3.4Å; Y344-M347 HydrophobicContact CG-CE 4.39Å; Y344-M347 PolarHBondContact O-N 2.79Å; Y344-M347 VanDerWaalsContact O-N 3.13Å
345	N	96	Very high	97.2	Very high	151 Å²	151	29.9 Å²	29.9	81%	0.807	14%	0.141	S	C	*	.	S	Bend	trans	53.1	40.8	178.3	-61.5	-20.6	0	0	0	114.4	M347	N345-M347 VanDerWaalsContact C-N 3.32Å; N345-M347 PolarHBondContact O-N 3.09Å
346	N	97.3	Very high	97.2	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.048	11%	0.106	C	C	.	.	S	Bend	trans	50	55.1	-175.6	-176.9	28.8	0	0	0	111	N261 E263 Y344 C348 G349 I350 A351 T352	N261-N346 HydrophobicContact CB-CB 4.29Å; N261-N346 PolarHBondContact OD1-ND2 3.49Å; E263-N346 WeakPolarHBondContact OE2-CA 3.49Å; E263-N346 PolarHBondContact OE2-N 3.24Å; Y344-N346 VanDerWaalsContact C-N 3.32Å; Y344-N346 PolarHBondContact O-N 2.04Å; N346-C348 PolarHBondContact O-N 2.93Å; N346-G349 PolarHBondContact O-N 3.33Å; N346-I350 PolarHBondContact OD1-N 3.33Å; N346-I350 VanDerWaalsContact OD1-N 3.13Å; N346-A351 WeakPolarHBondContact OD1-CB 3.48Å; N346-A351 PolarHBondContact OD1-N 2.68Å; N346-T352 PolarHBondContact ND2-OG1 3.24Å
347	M	98	Very high	97	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.034	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-42.1	121	-176.7	172	61	61.2	0	0	111	Q295 S296 C299 M340 R341 Y344 N345 G349 I350	Q295-M347 HydrophobicContact CB-CE 3.93Å; S296-M347 PolarHBondContact N-SD 2.77Å; S296-M347 WeakPolarHBondContact O-CE 3.37Å; C299-M347 PolarHBondContact SG-SD 2.95Å; M340-M347 HydrophobicContact CG-CG 3.78Å; M340-M347 HydrophobicContact SD-CG 4.09Å; R341-M347 WeakPolarHBondContact O-CB 3.29Å; Y344-M347 HydrophobicContact CD1-CE 3.18Å; Y344-M347 HydrophobicContact CE1-CE 3.4Å; Y344-M347 HydrophobicContact CG-CE 4.39Å; Y344-M347 PolarHBondContact O-N 2.79Å; Y344-M347 VanDerWaalsContact O-N 3.13Å; N345-M347 VanDerWaalsContact C-N 3.32Å; N345-M347 PolarHBondContact O-N 3.09Å; M347-G349 PolarHBondContact O-N 2.79Å; M347-I350 PolarHBondContact O-N 3.26Å
348	C	98.1	Very high	96.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	52.4	23.3	-179.2	-48.1	0	0	0	0	115.1	I280 N281 C299 S300 M340 N346	I280-C348 CarbonylContact C-O 3.4Å; I280-C348 VanDerWaalsContact CA-O 3.25Å; I280-C348 WeakPolarHBondContact CA-O 3.26Å; N281-C348 HydrophobicContact CB-CB 4.29Å; N281-C348 PolarHBondContact N-O 3.12Å; N281-C348 WeakPolarHBondContact O-CB 3.25Å; C299-C348 HydrophobicContact CB-CB 3.77Å; C299-C348 WeakPolarHBondContact CB-SG 3.38Å; C299-C348 WeakPolarHBondContact SG-CA 3.46Å; C299-C348 WeakPolarHBondContact SG-CB 3.37Å; C299-C348 PolarHBondContact SG-N 3.4Å; C299-C348 CovalentContact SG-SG 2.05Å; C299-C348 PolarHBondContact SG-SG 3.29Å; S300-C348 CarbonylContact O-C 3.6Å; M340-C348 HydrophobicContact CE-CB 4.45Å; M340-C348 HydrophobicContact SD-CB 4.37Å; N346-C348 PolarHBondContact O-N 2.93Å
349	G	97	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	76.9	21.5	175.3	0	0	0	0	0	114.8	G279 S301 N346 M347 A351 T352	G279-G349 CarbonylContact O-C 3.24Å; G279-G349 VanDerWaalsContact O-O 3.07Å; S301-G349 WeakPolarHBondContact O-CA 3.49Å; N346-G349 PolarHBondContact O-N 3.33Å; M347-G349 PolarHBondContact O-N 2.79Å; G349-A351 PolarHBondContact O-N 2.95Å; G349-A351 VanDerWaalsContact O-N 3.1Å; G349-T352 VanDerWaalsContact CA-OG1 3.24Å; G349-T352 WeakPolarHBondContact CA-OG1 3.44Å; G349-T352 WeakPolarHBondContact O-CA 3.49Å; G349-T352 WeakPolarHBondContact O-CB 3.26Å; G349-T352 PolarHBondContact O-N 2.84Å; G349-T352 PolarHBondContact O-OG1 2.77Å; G349-T352 VanDerWaalsContact O-OG1 3.14Å
350	I	98.2	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.9	-175.3	-170.1	63.9	0	0	0	114.2	L266 A278 I280 V308 I310 W322 I324 M340 N346 M347	L266-I350 HydrophobicContact CD2-CG1 4.49Å; A278-I350 HydrophobicContact CB-CD1 3.94Å; A278-I350 WeakPolarHBondContact CB-O 3.34Å; I280-I350 HydrophobicContact CG2-CB 4.26Å; I280-I350 HydrophobicContact CG2-CD1 3.36Å; I280-I350 HydrophobicContact CG2-CG1 4.4Å; V308-I350 HydrophobicContact CG2-CD1 4.34Å; I310-I350 HydrophobicContact CD1-CD1 3.68Å; I310-I350 HydrophobicContact CD1-CG1 3.68Å; I310-I350 HydrophobicContact CG1-CD1 4Å; I310-I350 HydrophobicContact CG1-CG1 4.48Å; W322-I350 HydrophobicContact CG-CG1 4.43Å; I324-I350 HydrophobicContact CD1-CD1 3.56Å; I324-I350 HydrophobicContact CD1-CG1 4.34Å; I324-I350 HydrophobicContact CG1-CD1 4.39Å; M340-I350 HydrophobicContact SD-CB 4.25Å; M340-I350 HydrophobicContact SD-CD1 4.45Å; N346-I350 PolarHBondContact OD1-N 3.33Å; N346-I350 VanDerWaalsContact OD1-N 3.13Å; M347-I350 PolarHBondContact O-N 3.26Å
351	A	96.2	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12.7	175.8	0	0	0	0	0	113.5	N261 E263 L266 N346 G349	N261-A351 PolarHBondContact N-O 2.96Å; E263-A351 HydrophobicContact CG-CB 4.03Å; L266-A351 HydrophobicContact CD2-CB 3.84Å; N346-A351 WeakPolarHBondContact OD1-CB 3.48Å; N346-A351 PolarHBondContact OD1-N 2.68Å; G349-A351 PolarHBondContact O-N 2.95Å; G349-A351 VanDerWaalsContact O-N 3.1Å
352	T	94	Very high	96	Very high	7 Å²	7	23 Å²	23	4%	0.043	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-44.7	178.8	-57.9	0	0	0	0	111.5	F121 L260 N261 S301 N346 G349	F121-T352 WeakPolarHBondContact CE2-O 2.93Å; L260-T352 HydrophobicContact CD1-CG2 3.85Å; N261-T352 PolarHBondContact OD1-OG1 2.9Å; S301-T352 PolarHBondContact O-OG1 2.96Å; N346-T352 PolarHBondContact ND2-OG1 3.24Å; G349-T352 VanDerWaalsContact CA-OG1 3.24Å; G349-T352 WeakPolarHBondContact CA-OG1 3.44Å; G349-T352 WeakPolarHBondContact O-CA 3.49Å; G349-T352 WeakPolarHBondContact O-CB 3.26Å; G349-T352 PolarHBondContact O-N 2.84Å; G349-T352 PolarHBondContact O-OG1 2.77Å; G349-T352 VanDerWaalsContact O-OG1 3.14Å
353	M	93.3	Very high	95.9	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.02	12%	0.119	C	C	.	.	S	Bend	trans	-124	51.4	-179.7	-69.8	-172.2	67.9	0	0	111.6	L117 F121 D213 A278 G279 V304	L117-M353 HydrophobicContact CB-CE 4.36Å; L117-M353 HydrophobicContact CB-SD 3.89Å; L117-M353 HydrophobicContact CD2-CE 4.39Å; L117-M353 HydrophobicContact CD2-SD 4.39Å; F121-M353 HydrophobicContact CB-CE 3.85Å; F121-M353 HydrophobicContact CB-CG 3.78Å; F121-M353 HydrophobicContact CB-SD 3.58Å; F121-M353 VanDerWaalsContact CB-SD 3.58Å; F121-M353 HydrophobicContact CD2-CG 3.58Å; F121-M353 HydrophobicContact CD2-SD 4.49Å; F121-M353 HydrophobicContact CE2-CG 4.33Å; F121-M353 HydrophobicContact CG-CG 3.83Å; F121-M353 HydrophobicContact CG-SD 4.31Å; D213-M353 VanDerWaalsContact OD1-CE 3.23Å; D213-M353 WeakPolarHBondContact OD1-CE 3.04Å; A278-M353 WeakPolarHBondContact CA-O 3.45Å; G279-M353 PolarHBondContact N-O 3.48Å; V304-M353 HydrophobicContact CG2-CB 4.44Å; V304-M353 HydrophobicContact CG2-CG 3.83Å; V304-M353 HydrophobicContact CG2-SD 3.31Å; V304-M353 WeakPolarHBondContact CG2-SD 3.37Å
354	A	95.7	Very high	95.8	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.033	10%	0.1	C	C	.	.			trans	-95.9	135.5	-178.9	0	0	0	0	0	112.3	I258 L266 V276 S277 A278	I258-A354 HydrophobicContact CB-CB 3.94Å; I258-A354 HydrophobicContact CD1-CB 3.91Å; I258-A354 WeakPolarHBondContact CD1-O 3.45Å; I258-A354 HydrophobicContact CG1-CB 4.13Å; I258-A354 PolarHBondContact N-O 3.46Å; L266-A354 HydrophobicContact CD1-CB 3.7Å; L266-A354 HydrophobicContact CD2-CB 4.45Å; V276-A354 HydrophobicContact CG1-CB 4.1Å; S277-A354 CarbonylContact O-C 3.47Å; S277-A354 VanDerWaalsContact O-CA 3.27Å; S277-A354 WeakPolarHBondContact O-CA 3.47Å; A278-A354 HydrophobicContact CB-CB 4.36Å
355	S	95.4	Very high	95.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	153.5	-179.3	57.8	0	0	0	0	112.5	N215 I256 V276 S277	N215-S355 WeakPolarHBondContact OD1-CB 3.38Å; N215-S355 PolarHBondContact OD1-OG 2.96Å; I256-S355 CarbonylContact O-C 3.58Å; I256-S355 WeakPolarHBondContact O-CA 3.47Å; V276-S355 WeakPolarHBondContact CG1-O 3.43Å; S277-S355 WeakPolarHBondContact CB-O 3.49Å; S277-S355 PolarHBondContact N-O 3.46Å; S277-S355 PolarHBondContact O-N 3.45Å
356	V	95.9	Very high	95.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.8	172.9	63.3	0	0	0	0	109.5	Q181 I256 V269 H273 V276	Q181-V356 VanDerWaalsContact NE2-CG2 3.35Å; I256-V356 HydrophobicContact CB-CG1 3.79Å; I256-V356 HydrophobicContact CD1-CG1 4.36Å; I256-V356 HydrophobicContact CG1-CG1 4.47Å; I256-V356 HydrophobicContact CG2-CG1 4.36Å; I256-V356 PolarHBondContact N-O 3.13Å; I256-V356 PolarHBondContact O-N 3.45Å; V269-V356 HydrophobicContact CG1-CB 4.49Å; V269-V356 HydrophobicContact CG1-CG1 3.53Å; H273-V356 HydrophobicContact CB-CG1 4.09Å; V276-V356 HydrophobicContact CG2-CB 4.34Å
357	P	95.1	Very high	95.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	154.4	172.7	31.5	-32	0	0	0	109.2	A177 L178 Q181 F218 S254	A177-P357 HydrophobicContact CB-CG 4.14Å; L178-P357 HydrophobicContact CD2-CB 3.76Å; L178-P357 HydrophobicContact CD2-CG 3.62Å; L178-P357 HydrophobicContact CG-CG 3.92Å; Q181-P357 HydrophobicContact CG-CG 4.12Å; Q181-P357 WeakPolarHBondContact CG-O 3.39Å; Q181-P357 PolarHBondContact OE1-O 2.78Å; F218-P357 HydrophobicContact CB-CB 4.44Å; F218-P357 HydrophobicContact CD1-CB 3.78Å; F218-P357 HydrophobicContact CD1-CG 3.86Å; F218-P357 HydrophobicContact CD2-CB 4.23Å; F218-P357 HydrophobicContact CE1-CB 4.03Å; F218-P357 HydrophobicContact CE1-CG 3.6Å; F218-P357 HydrophobicContact CE2-CB 4.48Å; F218-P357 HydrophobicContact CE2-CG 4.4Å; F218-P357 HydrophobicContact CG-CB 3.9Å; F218-P357 HydrophobicContact CG-CG 4.38Å; F218-P357 HydrophobicContact CZ-CB 4.4Å; F218-P357 HydrophobicContact CZ-CG 3.92Å; S254-P357 CarbonylContact O-C 3.55Å
358	K	93	Very high	95.3	Very high	55 Å²	55	7.1 Å²	7.1	24%	0.239	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.3	160.9	-59.8	-56.5	-61.9	173.2	0	107.4	S252 K253 S254 I256	S252-K358 CarbonylContact C-O 3.5Å; S252-K358 PolarHBondContact OG-O 3.33Å; K253-K358 PolarHBondContact N-O 3.24Å; S254-K358 PolarHBondContact N-O 3.06Å; S254-K358 PolarHBondContact O-N 3.22Å; I256-K358 HydrophobicContact CD1-CD 3.83Å; I256-K358 HydrophobicContact CD1-CG 3.98Å; I256-K358 HydrophobicContact CG1-CD 4.47Å; I256-K358 HydrophobicContact CG1-CG 4.16Å
359	L	91.7	Very high	95.1	Very high	12 Å²	12	7.6 Å²	7.6	6%	0.063	4%	0.037	C	C	.	.			trans	-83.8	0	173.4	-59.5	178.4	0	0	0	110.9	L178 Q181 L182 R185 T250 Y251 K253	L178-L359 HydrophobicContact CD2-CD2 3.61Å; Q181-L359 HydrophobicContact CB-CB 4.46Å; Q181-L359 HydrophobicContact CB-CD1 3.5Å; Q181-L359 HydrophobicContact CB-CG 3.54Å; Q181-L359 HydrophobicContact CG-CG 4.27Å; L182-L359 HydrophobicContact CB-CD1 3.8Å; L182-L359 HydrophobicContact CD1-CD1 4.14Å; L182-L359 VanDerWaalsContact N-CD1 3.34Å; R185-L359 PolarHBondContact NH1-OXT 3.01Å; R185-L359 PolarHBondContact NH2-O 2.98Å; R185-L359 PolarHBondContact NH2-OXT 3.15Å; T250-L359 HydrophobicContact CG2-CD1 3.97Å; T250-L359 HydrophobicContact CG2-CD2 3.67Å; T250-L359 HydrophobicContact CG2-CG 4.46Å; Y251-L359 WeakPolarHBondContact O-CA 3.18Å; Y251-L359 WeakPolarHBondContact O-CD2 3.42Å; K253-L359 WeakPolarHBondContact CD-O 3.48Å; K253-L359 VanDerWaalsContact CD-OXT 3.28Å; K253-L359 WeakPolarHBondContact CD-OXT 3.5Å; K253-L359 WeakPolarHBondContact CE-OXT 3.15Å; K253-L359 WeakPolarHBondContact CG-OXT 3.37Å

Retrieved 359 of 359 residues in 278.5 ms (Link to these results)

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