A0A077Z2Q7_TRITR Loading...

Tyrosyl DNA phosphodiesterase 1

AlphaFold DB , UniProt , Accession A0A077Z2Q7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 408 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	35.3	Very low	32.2	Very low	238 Å²	238	149.7 Å²	149.7	100%	1.172	85%	0.849	S	S	*	*				0	107.6	0	-68.9	-170.8	178.6	0	0	108.6
2	P	36.6	Very low	32	Very low	134 Å²	134	151.4 Å²	151.4	87%	0.87	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-87.4	136.8	176.6	15.9	0.6	0	0	0	110.5
3	K	34.1	Very low	32.1	Very low	204 Å²	204	153.1 Å²	153.1	89%	0.887	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-61	132.3	-173	-71	173.5	173.7	177.8	0	112.1
4	S	33.9	Very low	32.2	Very low	110 Å²	110	155.9 Å²	155.9	77%	0.769	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-58.8	124.9	171.1	52.8	0	0	0	0	111.8	Q6	S4-Q6 PolarHBondContact O-N 3.22Å
5	T	34.4	Very low	32.8	Very low	141 Å²	141	149.9 Å²	149.9	87%	0.865	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.4	117	164.3	32.5	0	0	0	0	109.3	G7	T5-G7 PolarHBondContact O-N 3.42Å
6	Q	30.2	Very low	33.3	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.4	124.6	172.2	-77	176.3	-24.2	0	0	109.5	S4	S4-Q6 PolarHBondContact O-N 3.22Å
7	G	29.6	Very low	33.8	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.9	174.1	0	0	0	0	0	111.1	T5 S9	T5-G7 PolarHBondContact O-N 3.42Å; G7-S9 PolarHBondContact O-N 3.42Å
8	T	29.1	Very low	34.2	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	78%	0.78	S	S	*	*			trans	-71.2	103.6	163.6	45	0	0	0	0	108.2	E10	T8-E10 PolarHBondContact O-N 3.19Å
9	S	27.5	Very low	34.6	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	75%	0.753	S	S	*	*			trans	-66.2	112.9	165.4	56	0	0	0	0	108.6	G7 N11	G7-S9 PolarHBondContact O-N 3.42Å; S9-N11 PolarHBondContact O-N 3.39Å
10	E	32.7	Very low	35	Very low	188 Å²	188	136.7 Å²	136.7	88%	0.879	74%	0.736	S	S	*	*			trans	-64.1	113.7	166.6	-75	-178.2	144.2	0	0	108	T8 D12	T8-E10 PolarHBondContact O-N 3.19Å; E10-D12 PolarHBondContact O-N 2.71Å
11	N	30.9	Very low	35.3	Very low	132 Å²	132	139.4 Å²	139.4	71%	0.706	74%	0.736	S	S	*	*			trans	-60.2	118.5	-179.6	-81.6	-33.6	0	0	0	111.3	S9 Q13	S9-N11 PolarHBondContact O-N 3.39Å; N11-Q13 VanDerWaalsContact C-N 3.27Å; N11-Q13 HydrophobicContact CB-CG 4.34Å; N11-Q13 PolarHBondContact O-N 2.83Å
12	D	29.7	Very low	35.6	Very low	170 Å²	170	132.2 Å²	132.2	91%	0.909	70%	0.7	S	S	*	*			trans	-63.1	84.4	159.9	-81.9	-38	0	0	0	109.6	E10 K14	E10-D12 PolarHBondContact O-N 2.71Å; D12-K14 PolarHBondContact O-N 2.85Å
13	Q	33.2	Very low	35.7	Very low	173 Å²	173	126.9 Å²	126.9	81%	0.808	66%	0.664	S	S	*	*			trans	-77.7	115.7	174.3	-78.9	-174.5	-20.1	0	0	110.3	N11	N11-Q13 VanDerWaalsContact C-N 3.27Å; N11-Q13 HydrophobicContact CB-CG 4.34Å; N11-Q13 PolarHBondContact O-N 2.83Å
14	K	34.5	Very low	36	Very low	193 Å²	193	122.4 Å²	122.4	84%	0.839	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-55.5	148.9	166.3	-74.7	-179	177.4	179	0	110.9	D12	D12-K14 PolarHBondContact O-N 2.85Å
15	P	40.1	Very low	36.3	Very low	65 Å²	65	124.2 Å²	124.2	42%	0.422	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-52.9	137.6	178.6	-29.5	37	0	0	0	114.4	M19	P15-M19 HydrophobicContact CB-CB 4.44Å; P15-M19 HydrophobicContact CB-CE 3.39Å; P15-M19 HydrophobicContact CB-CG 4.33Å; P15-M19 HydrophobicContact CB-SD 3.63Å; P15-M19 HydrophobicContact CG-CE 3.42Å; P15-M19 VanDerWaalsContact CG-CE 3.42Å; P15-M19 HydrophobicContact CG-SD 4.24Å
16	S	40.8	Very low	36.5	Very low	69 Å²	69	121.4 Å²	121.4	48%	0.483	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-73.2	160.6	171.7	67.5	0	0	0	0	112.3	E18 M19 K20	S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 PolarHBondContact O-N 2.89Å; S16-M19 WeakPolarHBondContact O-CA 3.49Å; S16-M19 WeakPolarHBondContact O-CB 3.37Å; S16-M19 PolarHBondContact O-N 3.28Å; S16-M19 PolarHBondContact OG-N 3.26Å; S16-K20 PolarHBondContact O-N 3.06Å; S16-K20 VanDerWaalsContact O-N 3.14Å
17	E	41.5	Very low	36.6	Very low	123 Å²	123	119.6 Å²	119.6	58%	0.575	61%	0.614	S	S	*	*	H	α-helix	trans	-62.1	-31.9	177.2	-74.1	-61.2	139.1	0	0	113.4	M19 K20 R21	E17-M19 VanDerWaalsContact C-N 3.28Å; E17-M19 PolarHBondContact O-N 3.38Å; E17-K20 PolarHBondContact O-N 3.35Å; E17-K20 WeakPolarHBondContact OE1-CE 3.2Å; E17-K20 IonicContact OE1-NZ 2.71Å; E17-K20 PolarHBondContact OE1-NZ 3.46Å; E17-R21 PolarHBondContact O-N 3.48Å; E17-R21 VanDerWaalsContact O-N 3.11Å
18	E	41.4	Very low	36.6	Very low	144 Å²	144	123.1 Å²	123.1	67%	0.673	62%	0.616	S	S	*	*	H	α-helix	trans	-64.8	-35.2	173.5	-167.6	170.9	-169.4	0	0	111.5	S16 R21 Q22	S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 PolarHBondContact O-N 2.89Å; E18-R21 PolarHBondContact O-N 3.19Å; E18-Q22 PolarHBondContact O-N 3.28Å
19	M	42.2	Very low	36.5	Very low	52 Å²	52	123.6 Å²	123.6	26%	0.256	61%	0.61	S	S	.	*	H	α-helix	trans	-66.7	-42.2	173.3	-169.8	176.2	136.6	0	0	110.9	P15 S16 E17 R21 Q22 L23 Y188	P15-M19 HydrophobicContact CB-CB 4.44Å; P15-M19 HydrophobicContact CB-CE 3.39Å; P15-M19 HydrophobicContact CB-CG 4.33Å; P15-M19 HydrophobicContact CB-SD 3.63Å; P15-M19 HydrophobicContact CG-CE 3.42Å; P15-M19 VanDerWaalsContact CG-CE 3.42Å; P15-M19 HydrophobicContact CG-SD 4.24Å; S16-M19 WeakPolarHBondContact O-CA 3.49Å; S16-M19 WeakPolarHBondContact O-CB 3.37Å; S16-M19 PolarHBondContact O-N 3.28Å; S16-M19 PolarHBondContact OG-N 3.26Å; E17-M19 VanDerWaalsContact C-N 3.28Å; E17-M19 PolarHBondContact O-N 3.38Å; M19-R21 VanDerWaalsContact C-N 3.33Å; M19-R21 PolarHBondContact O-N 3.25Å; M19-Q22 PolarHBondContact O-N 3.14Å; M19-L23 HydrophobicContact CE-CD1 4.17Å; M19-L23 HydrophobicContact CG-CD1 4.01Å; M19-L23 HydrophobicContact CG-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.47Å; M19-L23 WeakPolarHBondContact O-CD1 3.01Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 3.47Å; M19-Y188 HydrophobicContact SD-CD1 4.32Å; M19-Y188 HydrophobicContact SD-CE1 4.3Å
20	K	41.9	Very low	36.3	Very low	98 Å²	98	123.9 Å²	123.9	43%	0.426	61%	0.609	S	S	.	*	H	α-helix	trans	-60.8	-38.6	175.3	-66.3	-178.4	-173.5	168.3	0	113.1	S16 E17 L23 N24	S16-K20 PolarHBondContact O-N 3.06Å; S16-K20 VanDerWaalsContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 3.35Å; E17-K20 WeakPolarHBondContact OE1-CE 3.2Å; E17-K20 IonicContact OE1-NZ 2.71Å; E17-K20 PolarHBondContact OE1-NZ 3.46Å; K20-L23 PolarHBondContact O-N 3.44Å; K20-N24 PolarHBondContact O-N 3.11Å
21	R	41.6	Very low	35.9	Very low	193 Å²	193	120.8 Å²	120.8	73%	0.728	61%	0.606	S	S	*	*	H	α-helix	trans	-66.3	-45.9	177.4	-74.5	-174.9	179.5	-166.1	-0.8	112.5	E17 E18 M19 L23 N24	E17-R21 PolarHBondContact O-N 3.48Å; E17-R21 VanDerWaalsContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 3.19Å; M19-R21 VanDerWaalsContact C-N 3.33Å; M19-R21 PolarHBondContact O-N 3.25Å; R21-L23 VanDerWaalsContact C-N 3.27Å; R21-L23 PolarHBondContact O-N 3.1Å; R21-N24 PolarHBondContact O-N 3.31Å
22	Q	41.1	Very low	36	Very low	88 Å²	88	120.4 Å²	120.4	41%	0.411	61%	0.609	S	S	.	*	H	α-helix	trans	-65.3	-32	174.8	-71.2	179.9	-3.9	0	0	112.3	E18 M19 N24 E25	E18-Q22 PolarHBondContact O-N 3.28Å; M19-Q22 PolarHBondContact O-N 3.14Å; Q22-N24 VanDerWaalsContact C-N 3.32Å; Q22-N24 PolarHBondContact O-N 3.47Å; Q22-E25 PolarHBondContact O-N 2.88Å
23	L	40.1	Very low	35.8	Very low	22 Å²	22	115.9 Å²	115.9	12%	0.115	59%	0.59	C	S	.	*	H	α-helix	trans	-66	-30.1	177.4	-76.3	166.9	0	0	0	113.5	M19 K20 R21 R190	M19-L23 HydrophobicContact CE-CD1 4.17Å; M19-L23 HydrophobicContact CG-CD1 4.01Å; M19-L23 HydrophobicContact CG-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.47Å; M19-L23 WeakPolarHBondContact O-CD1 3.01Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 3.47Å; K20-L23 PolarHBondContact O-N 3.44Å; R21-L23 VanDerWaalsContact C-N 3.27Å; R21-L23 PolarHBondContact O-N 3.1Å; L23-R190 PolarHBondContact O-NH2 3.4Å
24	N	40.2	Very low	35.4	Very low	109 Å²	109	113.5 Å²	113.5	58%	0.583	59%	0.592	S	S	*	*	H	α-helix	trans	-79.4	-26.5	178.3	-71	-5.8	0	0	0	112.7	K20 R21 Q22 E26 E27	K20-N24 PolarHBondContact O-N 3.11Å; R21-N24 PolarHBondContact O-N 3.31Å; Q22-N24 VanDerWaalsContact C-N 3.32Å; Q22-N24 PolarHBondContact O-N 3.47Å; N24-E26 VanDerWaalsContact C-N 3.27Å; N24-E26 PolarHBondContact O-N 3.13Å; N24-E27 PolarHBondContact O-N 3.33Å
25	E	40.6	Very low	35.1	Very low	148 Å²	148	108.6 Å²	108.6	69%	0.692	58%	0.579	S	S	*	*	H	α-helix	trans	-71.6	-18.8	178.4	-69.8	177.5	176.7	0	0	113	Q22	Q22-E25 PolarHBondContact O-N 2.88Å
26	E	38.7	Very low	34.5	Very low	82 Å²	82	117.3 Å²	117.3	38%	0.383	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-19.3	176.6	-77.5	-170.3	152.2	0	0	114.1	N24 D28 M29 R190	N24-E26 VanDerWaalsContact C-N 3.27Å; N24-E26 PolarHBondContact O-N 3.13Å; E26-D28 PolarHBondContact O-N 3.42Å; E26-M29 PolarHBondContact O-N 3.07Å; E26-R190 IonicContact OE2-NE 2.85Å
27	E	32.2	Very low	34.3	Very low	150 Å²	150	118 Å²	118	70%	0.701	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.1	176.5	-75.5	-171.5	165.1	0	0	112.9	N24 M29	N24-E27 PolarHBondContact O-N 3.33Å; E27-M29 VanDerWaalsContact C-N 3.28Å; E27-M29 PolarHBondContact O-N 3.25Å
28	D	28	Very low	33.9	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	6.4	180	-83.2	-24.6	0	0	0	114.4	E26 P30	E26-D28 PolarHBondContact O-N 3.42Å; D28-P30 WeakPolarHBondContact O-CD 3.31Å
29	M	27.3	Very low	33.5	Very low	147 Å²	147	116.6 Å²	116.6	72%	0.724	63%	0.63	S	S	*	*	S	Bend	trans	-84.6	117	172.5	-73.9	-83.6	-73.1	0	0	110.2	E26 E27	E26-M29 PolarHBondContact O-N 3.07Å; E27-M29 VanDerWaalsContact C-N 3.28Å; E27-M29 PolarHBondContact O-N 3.25Å
30	P	23.3	Very low	33.3	Very low	106 Å²	106	119.6 Å²	119.6	69%	0.688	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-64.7	146.4	-174	24.4	-32.6	0	0	0	112	D28 T32	D28-P30 WeakPolarHBondContact O-CD 3.31Å; P30-T32 PolarHBondContact O-N 3.28Å
31	P	24.2	Very low	33.2	Very low	123 Å²	123	119.1 Å²	119.1	80%	0.799	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.3	134.8	-178.8	21.5	-30.9	0	0	0	111.6	S33	P31-S33 PolarHBondContact O-N 3.35Å
32	T	33.5	Very low	33.6	Very low	125 Å²	125	111.4 Å²	111.4	77%	0.767	62%	0.624	S	S	*	*			trans	-69	92.1	-177.4	53.4	0	0	0	0	111	P30	P30-T32 PolarHBondContact O-N 3.28Å
33	S	25	Very low	34.2	Very low	75 Å²	75	109.5 Å²	109.5	52%	0.524	61%	0.613	S	S	.	*			trans	-78.9	135.6	172.3	63.4	0	0	0	0	111.5	P31 T35 H40	P31-S33 PolarHBondContact O-N 3.35Å; S33-T35 PolarHBondContact O-N 3.45Å; S33-H40 PolarHBondContact O-NE2 3.39Å
34	S	26.1	Very low	34.9	Very low	122 Å²	122	111.2 Å²	111.2	85%	0.853	63%	0.627	S	S	*	*			trans	-74.9	74.5	-178.4	53.9	0	0	0	0	113.2	R36	S34-R36 PolarHBondContact O-N 3.45Å
35	T	26.8	Very low	35.7	Very low	90 Å²	90	111.5 Å²	111.5	55%	0.552	64%	0.637	S	S	*	*			trans	-78.9	121.1	169.3	46.7	0	0	0	0	111.5	S33 G37	S33-T35 PolarHBondContact O-N 3.45Å; T35-G37 PolarHBondContact O-N 3.33Å
36	R	28.9	Very low	37	Very low	249 Å²	249	109 Å²	109	94%	0.94	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38.4	123.7	173	-78.6	178.4	176.2	175.8	-0.9	112.4	S34 K38	S34-R36 PolarHBondContact O-N 3.45Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.91Å; R36-K38 VanDerWaalsContact O-N 3.13Å
37	G	36.8	Very low	38.7	Very low	84 Å²	84	105.5 Å²	105.5	87%	0.866	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	-0.5	152.7	0	0	0	0	0	118.2	T35	T35-G37 PolarHBondContact O-N 3.33Å
38	K	31.5	Very low	41	Very low	171 Å²	171	105.1 Å²	105.1	74%	0.743	60%	0.601	S	S	*	*			trans	-120.6	97	165.1	-68.2	-176.5	-178.2	179.2	0	106.7	R36 H40	R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.91Å; R36-K38 VanDerWaalsContact O-N 3.13Å; K38-H40 PolarHBondContact O-N 3.42Å
39	G	34.5	Very low	43.8	Very low	66 Å²	66	99.7 Å²	99.7	68%	0.68	57%	0.571	S	S	*	*			trans	-46.3	122.7	169.4	0	0	0	0	0	107.7	C41	G39-C41 PolarHBondContact O-N 3.39Å; G39-C41 VanDerWaalsContact O-N 3.08Å
40	H	37.4	Very low	46.8	Very low	115 Å²	115	92.8 Å²	92.8	53%	0.532	54%	0.537	S	S	.	.			trans	-46	126	176.2	-98.4	-67.3	0	0	0	107.9	S33 K38 L42	S33-H40 PolarHBondContact O-NE2 3.39Å; K38-H40 PolarHBondContact O-N 3.42Å; H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 3.25Å
41	C	38.5	Very low	50	Low	88 Å²	88	87.7 Å²	87.7	60%	0.595	50%	0.504	S	S	*	.			trans	-62.2	93.5	-168.3	-156.7	0	0	0	0	109.2	G39 Y43	G39-C41 PolarHBondContact O-N 3.39Å; G39-C41 VanDerWaalsContact O-N 3.08Å; C41-Y43 PolarHBondContact O-N 3.4Å; C41-Y43 VanDerWaalsContact SG-CB 3.56Å; C41-Y43 PolarHBondContact SG-O 3.41Å
42	L	50.3	Low	53.3	Low	30 Å²	30	81.9 Å²	81.9	16%	0.157	47%	0.466	C	S	.	.			trans	-57.5	-8.9	160.4	-71.6	170.7	0	0	0	110.7	H40 C44 L120 Y122 V129	H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 3.25Å; L42-C44 PolarHBondContact O-N 2.54Å; L42-L120 HydrophobicContact CB-CD1 3.91Å; L42-L120 HydrophobicContact CD1-CD1 4.4Å; L42-L120 HydrophobicContact CD2-CD1 4Å; L42-L120 HydrophobicContact CG-CD1 4.33Å; L42-Y122 PolarHBondContact O-OH 3.19Å; L42-V129 HydrophobicContact CD1-CG2 4.19Å; L42-V129 HydrophobicContact CD2-CG2 3.94Å
43	Y	53.5	Low	56.2	Low	48 Å²	48	75.9 Å²	75.9	19%	0.188	43%	0.429	C	S	.	.			trans	-98.3	89.2	-174.6	-44.5	-66.4	0	0	0	110.5	C41 K47 Y66 P67	C41-Y43 PolarHBondContact O-N 3.4Å; C41-Y43 VanDerWaalsContact SG-CB 3.56Å; C41-Y43 PolarHBondContact SG-O 3.41Å; Y43-K47 HydrophobicContact CD1-CD 4.19Å; Y43-Y66 AromaticContact CD1-CD1 3.97Å; Y43-Y66 HydrophobicContact CD1-CD1 3.97Å; Y43-Y66 HydrophobicContact CD1-CE1 4.39Å; Y43-Y66 AromaticContact CE1-CD1 3.32Å; Y43-Y66 HydrophobicContact CE1-CD1 3.32Å; Y43-Y66 AromaticContact CE1-CE1 3.43Å; Y43-Y66 HydrophobicContact CE1-CE1 3.43Å; Y43-Y66 VanDerWaalsContact CE1-CE1 3.43Å; Y43-Y66 HydrophobicContact CE2-CD1 4.5Å; Y43-Y66 AromaticContact CZ-CD1 3.6Å; Y43-Y66 AromaticContact CZ-CE1 3.76Å; Y43-P67 HydrophobicContact CD2-CG 4.01Å; Y43-P67 HydrophobicContact CG-CG 3.96Å
44	C	54.5	Low	59.6	Low	59 Å²	59	72.3 Å²	72.3	40%	0.399	40%	0.404	S	S	.	.			trans	-79.4	146.9	161.3	-171	0	0	0	0	109	L42 E46 K47 Y122	L42-C44 PolarHBondContact O-N 2.54Å; C44-E46 PolarHBondContact O-N 3.39Å; C44-K47 VanDerWaalsContact O-CB 3.31Å; C44-K47 WeakPolarHBondContact O-CB 3.46Å; C44-K47 PolarHBondContact O-N 2.72Å; C44-Y122 HydrophobicContact CB-CD1 4.37Å; C44-Y122 HydrophobicContact CB-CE1 3.9Å
45	S	57.7	Low	62.9	Low	114 Å²	114	68.8 Å²	68.8	80%	0.797	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.2	174.8	51	0	0	0	0	113.4	K47	S45-K47 VanDerWaalsContact C-N 3.33Å
46	E	68.8	Low	66.2	Low	95 Å²	95	67.5 Å²	67.5	44%	0.444	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.3	176.2	-62	-164.8	168.2	0	0	115	C44 R48 Y122 S123	C44-E46 PolarHBondContact O-N 3.39Å; E46-R48 PolarHBondContact O-N 3.27Å; E46-Y122 HydrophobicContact CB-CD1 4.43Å; E46-S123 PolarHBondContact OE2-OG 2.87Å
47	K	73	Confident	69.4	Low	9 Å²	9	56 Å²	56	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	137.4	-178	-176.5	-173.5	158.1	-167.5	0	110.7	Y43 C44 S45 L73 L120 Y122	Y43-K47 HydrophobicContact CD1-CD 4.19Å; C44-K47 VanDerWaalsContact O-CB 3.31Å; C44-K47 WeakPolarHBondContact O-CB 3.46Å; C44-K47 PolarHBondContact O-N 2.72Å; S45-K47 VanDerWaalsContact C-N 3.33Å; K47-L73 HydrophobicContact CB-CD1 4.17Å; K47-L73 HydrophobicContact CD-CD1 4.28Å; K47-L73 HydrophobicContact CG-CD1 4.14Å; K47-L73 WeakPolarHBondContact O-CD1 3.22Å; K47-L120 HydrophobicContact CD-CD2 4.41Å; K47-Y122 HydrophobicContact CB-CD1 4.09Å; K47-Y122 HydrophobicContact CB-CE1 3.84Å; K47-Y122 HydrophobicContact CG-CE1 4.32Å
48	R	81.9	Confident	72.1	Confident	143 Å²	143	54.7 Å²	54.7	54%	0.54	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-46.8	-178.6	-60.9	-61	-176.5	167.7	-0.9	113	E46 P74 K121	E46-R48 PolarHBondContact O-N 3.27Å; R48-P74 WeakPolarHBondContact O-CD 3.09Å; R48-K121 HydrophobicContact CB-CB 4.32Å; R48-K121 HydrophobicContact CB-CD 4.29Å; R48-K121 HydrophobicContact CB-CG 4.36Å; R48-K121 PolarHBondContact N-O 2.92Å
49	E	87	Confident	75	Confident	35 Å²	35	46.7 Å²	46.7	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.3	-171.4	-59.2	175.7	-135.1	0	0	109.8	P74 K121 W178	E49-P74 HydrophobicContact CB-CB 4.46Å; E49-P74 HydrophobicContact CG-CB 4.07Å; E49-P74 HydrophobicContact CG-CG 4.12Å; E49-K121 HydrophobicContact CB-CB 3.86Å; E49-K121 HydrophobicContact CB-CD 3.99Å; E49-K121 HydrophobicContact CG-CD 3.96Å; E49-K121 PolarHBondContact O-N 3.06Å; E49-K121 WeakPolarHBondContact OE1-CD 3.17Å; E49-K121 IonicContact OE1-NZ 3.98Å; E49-K121 PolarHBondContact OE1-NZ 2.78Å; E49-K121 IonicContact OE2-NZ 3.63Å; E49-W178 HydrophobicContact CB-CZ2 4.14Å; E49-W178 PolarHBondContact OE2-NE1 2.84Å
50	Q	88.7	Confident	77.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.4	174.6	179.4	168.3	-30	0	0	112.5	D52 Y66 P74 L75 L76 I118 L119 L120	Q50-D52 WeakPolarHBondContact CG-OD1 3.12Å; Q50-D52 VanDerWaalsContact NE2-CG 3.27Å; Q50-D52 PolarHBondContact NE2-OD1 3.4Å; Q50-D52 PolarHBondContact NE2-OD2 3.44Å; Q50-D52 VanDerWaalsContact NE2-OD2 3.14Å; Q50-Y66 PolarHBondContact NE2-OH 2.94Å; Q50-P74 PolarHBondContact N-O 2.82Å; Q50-L75 HydrophobicContact CB-CD1 4Å; Q50-L75 HydrophobicContact CG-CD1 3.91Å; Q50-L75 WeakPolarHBondContact O-CA 3.17Å; Q50-L76 PolarHBondContact O-N 3.48Å; Q50-I118 HydrophobicContact CG-CG2 3.78Å; Q50-L119 CarbonylContact C-O 3.56Å; Q50-L119 VanDerWaalsContact CA-O 3.23Å; Q50-L119 WeakPolarHBondContact CA-O 3.41Å; Q50-L120 HydrophobicContact CB-CD2 4.17Å; Q50-L120 HydrophobicContact CG-CD2 3.76Å
51	V	90.2	Very high	80.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.9	171.6	-170.5	0	0	0	0	109.6	F53 L76 V78 I118 L119 W178 L179	V51-F53 HydrophobicContact CB-CE2 4.05Å; V51-F53 HydrophobicContact CG1-CD2 4.1Å; V51-F53 HydrophobicContact CG1-CE1 4.48Å; V51-F53 HydrophobicContact CG1-CE2 3.35Å; V51-F53 HydrophobicContact CG1-CZ 3.58Å; V51-L76 CarbonylContact C-O 3.44Å; V51-L76 VanDerWaalsContact CA-O 3.27Å; V51-L76 WeakPolarHBondContact CA-O 3.1Å; V51-L76 HydrophobicContact CB-CB 4.44Å; V51-L76 HydrophobicContact CG1-CB 4.07Å; V51-L76 HydrophobicContact CG1-CD2 3.95Å; V51-L76 HydrophobicContact CG1-CG 4.26Å; V51-L76 HydrophobicContact CG2-CB 4.17Å; V51-V78 HydrophobicContact CG1-CG2 3.96Å; V51-I118 CarbonylContact O-C 3.03Å; V51-I118 WeakPolarHBondContact O-CA 3.3Å; V51-L119 HydrophobicContact CB-CB 4.09Å; V51-L119 HydrophobicContact CB-CD1 4.41Å; V51-L119 HydrophobicContact CB-CG 4.39Å; V51-L119 HydrophobicContact CG2-CB 4.45Å; V51-L119 PolarHBondContact N-O 3.33Å; V51-L119 PolarHBondContact O-N 3.4Å; V51-W178 HydrophobicContact CG2-CZ2 4.14Å; V51-L179 HydrophobicContact CG1-CD1 4.2Å; V51-L179 HydrophobicContact CG1-CD2 4.45Å; V51-L179 HydrophobicContact CG2-CD1 3.91Å; V51-L179 HydrophobicContact CG2-CD2 3.97Å; V51-L179 HydrophobicContact CG2-CG 4.1Å
52	D	93.7	Very high	83	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.4	-179.9	-71.9	-16.9	0	0	0	110.5	Q50 Y66 L76 V78 I118 L135	Q50-D52 WeakPolarHBondContact CG-OD1 3.12Å; Q50-D52 VanDerWaalsContact NE2-CG 3.27Å; Q50-D52 PolarHBondContact NE2-OD1 3.4Å; Q50-D52 PolarHBondContact NE2-OD2 3.44Å; Q50-D52 VanDerWaalsContact NE2-OD2 3.14Å; D52-Y66 PolarHBondContact OD2-OH 2.85Å; D52-L76 PolarHBondContact N-O 3.04Å; D52-V78 PolarHBondContact O-N 3.07Å; D52-I118 WeakPolarHBondContact OD1-CG2 3.43Å; D52-L135 HydrophobicContact CB-CD1 3.86Å
53	F	94.6	Very high	84.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.2	169.9	-58.6	-95	0	0	0	107.8	V51 V78 H113 S115 K116 M117 L119 L165 M168	V51-F53 HydrophobicContact CB-CE2 4.05Å; V51-F53 HydrophobicContact CG1-CD2 4.1Å; V51-F53 HydrophobicContact CG1-CE1 4.48Å; V51-F53 HydrophobicContact CG1-CE2 3.35Å; V51-F53 HydrophobicContact CG1-CZ 3.58Å; F53-V78 WeakPolarHBondContact CA-O 3.37Å; F53-V78 HydrophobicContact CD1-CB 3.52Å; F53-V78 HydrophobicContact CD1-CG1 3.67Å; F53-V78 HydrophobicContact CD1-CG2 3.92Å; F53-V78 HydrophobicContact CE1-CB 3.76Å; F53-V78 HydrophobicContact CE1-CG1 3.81Å; F53-V78 HydrophobicContact CE1-CG2 3.65Å; F53-V78 HydrophobicContact CG-CB 4.23Å; F53-V78 HydrophobicContact CZ-CG2 4.09Å; F53-H113 AromaticContact CD1-NE2 4Å; F53-S115 CarbonylContact C-O 3.55Å; F53-K116 VanDerWaalsContact O-CA 3.29Å; F53-K116 WeakPolarHBondContact O-CA 3.33Å; F53-M117 HydrophobicContact CB-CB 4.2Å; F53-M117 HydrophobicContact CD2-CB 4.14Å; F53-M117 HydrophobicContact CD2-CE 3.51Å; F53-M117 HydrophobicContact CD2-CG 4.23Å; F53-M117 WeakPolarHBondContact CD2-O 3.22Å; F53-M117 HydrophobicContact CE2-CE 3.52Å; F53-M117 HydrophobicContact CG-CB 4.49Å; F53-M117 HydrophobicContact CG-CE 4.07Å; F53-M117 HydrophobicContact CZ-CE 4.08Å; F53-M117 PolarHBondContact N-O 3.35Å; F53-M117 PolarHBondContact O-N 2.77Å; F53-L119 HydrophobicContact CE2-CD1 3.87Å; F53-L119 HydrophobicContact CE2-CG 4Å; F53-L119 HydrophobicContact CZ-CD1 4.46Å; F53-L165 HydrophobicContact CE1-CD2 4.03Å; F53-L165 HydrophobicContact CE2-CD2 3.98Å; F53-L165 HydrophobicContact CZ-CD2 3.35Å; F53-M168 HydrophobicContact CB-CE 4.27Å; F53-M168 HydrophobicContact CD1-CB 4.45Å; F53-M168 HydrophobicContact CD1-CE 3.49Å; F53-M168 VanDerWaalsContact CD1-CE 3.49Å; F53-M168 HydrophobicContact CD1-SD 4.15Å; F53-M168 HydrophobicContact CE1-CB 4.11Å; F53-M168 HydrophobicContact CE1-CE 4.12Å; F53-M168 HydrophobicContact CE1-SD 4.18Å; F53-M168 HydrophobicContact CG-CE 4.09Å
54	N	96.9	Very high	86.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.			trans	-152.3	172.2	175.1	-146.7	-81.5	0	0	0	113	M56 I57 V78 T79 H113 S115 H131 A133 N134 L135	N54-M56 PolarHBondContact OD1-N 2.98Å; N54-M56 PolarHBondContact OD1-O 2.8Å; N54-I57 HydrophobicContact CB-CD1 3.85Å; N54-I57 HydrophobicContact CB-CG1 3.7Å; N54-V78 PolarHBondContact N-O 3.17Å; N54-V78 VanDerWaalsContact N-O 3.11Å; N54-T79 PolarHBondContact O-OG1 3.21Å; N54-H113 PolarHBondContact O-ND1 3.18Å; N54-S115 WeakPolarHBondContact CA-O 3.41Å; N54-S115 PolarHBondContact N-O 3.21Å; N54-H131 PolarHBondContact ND2-CE1 2.86Å; N54-A133 PolarHBondContact ND2-O 3.28Å; N54-A133 VanDerWaalsContact ND2-O 3.14Å; N54-N134 VanDerWaalsContact OD1-CA 3.24Å; N54-N134 WeakPolarHBondContact OD1-CA 3.21Å; N54-N134 PolarHBondContact OD1-OD1 2.82Å; N54-L135 HydrophobicContact CB-CD1 3.93Å; N54-L135 HydrophobicContact CB-CG 4.03Å; N54-L135 PolarHBondContact OD1-N 2.96Å
55	F	96.3	Very high	88.5	Confident	47 Å²	47	43.1 Å²	43.1	21%	0.206	22%	0.222	C	C	.	.	S	Bend	trans	-92.8	-51.2	174.7	178.2	-111.5	0	0	0	111.8	T79 S83 S84 H113 H114	F55-T79 PolarHBondContact O-OG1 3.14Å; F55-S83 VanDerWaalsContact CE2-CB 3.43Å; F55-S83 WeakPolarHBondContact CE2-OG 3.38Å; F55-S83 CarbonylContact O-C 3.49Å; F55-S83 WeakPolarHBondContact O-CB 3.33Å; F55-S84 PolarHBondContact O-OG 3.25Å; F55-H113 WeakPolarHBondContact CA-O 3.47Å; F55-H114 AromaticContact CG-CD2 3.77Å
56	M	95.4	Very high	89.9	Confident	64 Å²	64	38.1 Å²	38.1	32%	0.315	19%	0.186	S	C	.	.	S	Bend	trans	-120.7	131.4	176.9	-74	-177.2	-55.2	0	0	109.6	N54 S83 S84 N134 L135 I136	N54-M56 PolarHBondContact OD1-N 2.98Å; N54-M56 PolarHBondContact OD1-O 2.8Å; M56-S83 WeakPolarHBondContact CG-O 3.05Å; M56-S84 WeakPolarHBondContact CA-OG 3.33Å; M56-N134 HydrophobicContact CB-CB 3.86Å; M56-N134 HydrophobicContact CE-CB 4.06Å; M56-N134 VanDerWaalsContact CE-CG 3.46Å; M56-N134 WeakPolarHBondContact CE-ND2 3.27Å; M56-L135 PolarHBondContact O-N 3.23Å; M56-I136 HydrophobicContact CB-CG2 4.31Å; M56-I136 HydrophobicContact CE-CD1 4.17Å
57	I	96	Very high	90.8	Very high	6 Å²	6	35 Å²	35	3%	0.031	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-136	122.5	-177.7	-53.9	-179.2	0	0	0	108.6	N54 P59 L62 I77 T79 S84 L89 L135	N54-I57 HydrophobicContact CB-CD1 3.85Å; N54-I57 HydrophobicContact CB-CG1 3.7Å; I57-P59 WeakPolarHBondContact O-CD 3.31Å; I57-L62 HydrophobicContact CG2-CB 4.49Å; I57-L62 HydrophobicContact CG2-CD2 3.79Å; I57-I77 HydrophobicContact CD1-CG2 3.24Å; I57-T79 HydrophobicContact CD1-CG2 4.18Å; I57-S84 PolarHBondContact N-OG 2.83Å; I57-L89 HydrophobicContact CB-CD2 4.44Å; I57-L89 HydrophobicContact CG2-CD2 4.15Å; I57-L135 WeakPolarHBondContact CA-O 3.42Å; I57-L135 HydrophobicContact CD1-CD1 4.43Å; I57-L135 HydrophobicContact CG1-CB 4.23Å; I57-L135 HydrophobicContact CG1-CD1 4.38Å; I57-L135 HydrophobicContact CG2-CB 4.3Å
58	D	93.9	Very high	91.5	Very high	58 Å²	58	42.5 Å²	42.5	31%	0.31	21%	0.206	S	C	.	.			trans	-90.8	108.7	161.4	176.1	-21.8	0	0	0	107	E60 W61 L62 L135 I136	D58-E60 PolarHBondContact OD1-N 3.11Å; D58-W61 HydrophobicContact CB-CB 3.84Å; D58-W61 PolarHBondContact OD1-N 3.2Å; D58-W61 WeakPolarHBondContact OD2-CB 3.14Å; D58-L62 WeakPolarHBondContact O-CB 3.46Å; D58-L62 PolarHBondContact O-N 2.82Å; D58-L135 PolarHBondContact N-O 3.44Å; D58-I136 HydrophobicContact CB-CB 4.4Å; D58-I136 HydrophobicContact CB-CG2 3.95Å
59	P	91.6	Very high	91.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-32.8	-173.3	29.5	-35.5	0	0	0	113.2	I57 L63 E88 L89 V92	I57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-L63 WeakPolarHBondContact O-CB 3.26Å; P59-L63 VanDerWaalsContact O-CG 3.3Å; P59-L63 WeakPolarHBondContact O-CG 3.29Å; P59-L63 PolarHBondContact O-N 3.47Å; P59-E88 HydrophobicContact CG-CB 4.2Å; P59-L89 HydrophobicContact CB-CD2 3.87Å; P59-L89 HydrophobicContact CB-CG 4.44Å; P59-L89 HydrophobicContact CG-CD2 4.34Å; P59-L89 HydrophobicContact CG-CG 4.39Å; P59-V92 HydrophobicContact CB-CB 3.93Å; P59-V92 HydrophobicContact CB-CG1 4.07Å; P59-V92 HydrophobicContact CB-CG2 3.8Å; P59-V92 HydrophobicContact CG-CB 4.32Å; P59-V92 HydrophobicContact CG-CG2 3.78Å
60	E	91.5	Very high	91.8	Very high	147 Å²	147	40.9 Å²	40.9	69%	0.687	21%	0.206	S	C	*	.	H	α-helix	trans	-71.9	-46.3	179.2	-70.1	-171.8	-178.9	0	0	110.3	D58 L63 S64 V92	D58-E60 PolarHBondContact OD1-N 3.11Å; E60-L63 PolarHBondContact O-N 2.77Å; E60-S64 WeakPolarHBondContact O-CB 3.11Å; E60-S64 PolarHBondContact O-N 3.46Å; E60-V92 HydrophobicContact CG-CG2 4.1Å
61	W	93.7	Very high	91.8	Very high	33 Å²	33	45.6 Å²	45.6	13%	0.125	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-47.8	173.9	172.8	80.1	0	0	0	111.5	D58 L63 S64 C65 L135 I136 D137 W140	D58-W61 HydrophobicContact CB-CB 3.84Å; D58-W61 PolarHBondContact OD1-N 3.2Å; D58-W61 WeakPolarHBondContact OD2-CB 3.14Å; W61-L63 VanDerWaalsContact C-N 3.33Å; W61-L63 PolarHBondContact O-N 2.99Å; W61-S64 WeakPolarHBondContact O-CB 3.4Å; W61-S64 PolarHBondContact O-N 3.01Å; W61-S64 VanDerWaalsContact O-N 3.08Å; W61-S64 PolarHBondContact O-OG 3.34Å; W61-C65 VanDerWaalsContact CE2-SG 3.55Å; W61-C65 PolarHBondContact O-N 3.18Å; W61-C65 VanDerWaalsContact O-N 3.09Å; W61-C65 PolarHBondContact O-SG 3.34Å; W61-L135 VanDerWaalsContact CE3-C 3.44Å; W61-L135 VanDerWaalsContact CE3-O 3.29Å; W61-L135 HydrophobicContact CZ3-CB 3.95Å; W61-L135 HydrophobicContact CZ3-CD2 4.49Å; W61-L135 WeakPolarHBondContact CZ3-O 3.37Å; W61-I136 VanDerWaalsContact CZ3-N 3.35Å; W61-D137 VanDerWaalsContact CD1-CB 3.44Å; W61-D137 HydrophobicContact CD2-CB 4.39Å; W61-D137 VanDerWaalsContact CE2-CA 3.45Å; W61-D137 HydrophobicContact CG-CB 4.03Å; W61-D137 VanDerWaalsContact NE1-CA 3.28Å; W61-D137 PolarHBondContact NE1-OD1 3.45Å; W61-W140 HydrophobicContact CH2-CB 4.23Å; W61-W140 AromaticContact CH2-CD1 3.24Å; W61-W140 HydrophobicContact CH2-CD2 4.07Å; W61-W140 AromaticContact CH2-CG 3.59Å; W61-W140 HydrophobicContact CH2-CG 3.59Å; W61-W140 AromaticContact CH2-NE1 3.51Å; W61-W140 HydrophobicContact CZ2-CB 3.84Å; W61-W140 AromaticContact CZ2-CD1 3.71Å; W61-W140 HydrophobicContact CZ2-CD2 4.46Å; W61-W140 AromaticContact CZ2-CG 3.72Å; W61-W140 HydrophobicContact CZ2-CG 3.72Å
62	L	93.4	Very high	91.7	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-46.3	178.9	177.5	62.9	0	0	0	110.9	I57 D58 S64 C65 Y66 L75 I77 L135	I57-L62 HydrophobicContact CG2-CB 4.49Å; I57-L62 HydrophobicContact CG2-CD2 3.79Å; D58-L62 WeakPolarHBondContact O-CB 3.46Å; D58-L62 PolarHBondContact O-N 2.82Å; L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3.34Å; L62-C65 WeakPolarHBondContact O-CB 3.12Å; L62-C65 PolarHBondContact O-N 3.35Å; L62-Y66 HydrophobicContact CD1-CE2 4.28Å; L62-Y66 HydrophobicContact CG-CE2 4.04Å; L62-Y66 VanDerWaalsContact O-CD2 3.29Å; L62-Y66 WeakPolarHBondContact O-CD2 3.49Å; L62-Y66 VanDerWaalsContact O-CE2 3.22Å; L62-Y66 WeakPolarHBondContact O-CE2 3.25Å; L62-L75 HydrophobicContact CD2-CD2 4.45Å; L62-I77 HydrophobicContact CD2-CD1 3.98Å; L62-I77 HydrophobicContact CD2-CG1 4.37Å; L62-L135 HydrophobicContact CD1-CB 4.49Å; L62-L135 HydrophobicContact CD1-CD1 4.08Å; L62-L135 HydrophobicContact CD1-CD2 4.38Å; L62-L135 HydrophobicContact CD2-CD1 4.18Å
63	L	90.9	Very high	91.5	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-33.6	177.8	-74.2	-176	0	0	0	112.8	P59 E60 W61 C65 Y66 R71 L75 V92 V99	P59-L63 WeakPolarHBondContact O-CB 3.26Å; P59-L63 VanDerWaalsContact O-CG 3.3Å; P59-L63 WeakPolarHBondContact O-CG 3.29Å; P59-L63 PolarHBondContact O-N 3.47Å; E60-L63 PolarHBondContact O-N 2.77Å; W61-L63 VanDerWaalsContact C-N 3.33Å; W61-L63 PolarHBondContact O-N 2.99Å; L63-C65 VanDerWaalsContact C-N 3.3Å; L63-C65 PolarHBondContact O-N 3.48Å; L63-Y66 HydrophobicContact CD2-CD2 4.11Å; L63-Y66 HydrophobicContact CD2-CE2 4.09Å; L63-Y66 PolarHBondContact O-N 3.38Å; L63-R71 PolarHBondContact O-NE 3.21Å; L63-L75 HydrophobicContact CD2-CD2 4.04Å; L63-V92 HydrophobicContact CD1-CG1 3.28Å; L63-V92 HydrophobicContact CG-CG1 4.28Å; L63-V99 HydrophobicContact CD2-CG2 4.09Å
64	S	91.5	Very high	91.4	Very high	65 Å²	65	55.6 Å²	55.6	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-31.5	177.6	85	0	0	0	0	112.8	E60 W61 L62 Y66 R71	E60-S64 WeakPolarHBondContact O-CB 3.11Å; E60-S64 PolarHBondContact O-N 3.46Å; W61-S64 WeakPolarHBondContact O-CB 3.4Å; W61-S64 PolarHBondContact O-N 3.01Å; W61-S64 VanDerWaalsContact O-N 3.08Å; W61-S64 PolarHBondContact O-OG 3.34Å; L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3.34Å; S64-Y66 PolarHBondContact O-N 3.03Å; S64-R71 PolarHBondContact O-NH2 2.81Å
65	C	91.4	Very high	91.1	Very high	51 Å²	51	56 Å²	56	35%	0.345	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-23.9	178.5	-67.8	0	0	0	0	113.1	W61 L62 L63	W61-C65 VanDerWaalsContact CE2-SG 3.55Å; W61-C65 PolarHBondContact O-N 3.18Å; W61-C65 VanDerWaalsContact O-N 3.09Å; W61-C65 PolarHBondContact O-SG 3.34Å; L62-C65 WeakPolarHBondContact O-CB 3.12Å; L62-C65 PolarHBondContact O-N 3.35Å; L63-C65 VanDerWaalsContact C-N 3.3Å; L63-C65 PolarHBondContact O-N 3.48Å
66	Y	87	Confident	90.9	Very high	8 Å²	8	53.8 Å²	53.8	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	-75.2	138.7	177	-61.5	-66.4	0	0	0	111.7	Y43 Q50 D52 L62 L63 S64 K68 R71 L75	Y43-Y66 AromaticContact CD1-CD1 3.97Å; Y43-Y66 HydrophobicContact CD1-CD1 3.97Å; Y43-Y66 HydrophobicContact CD1-CE1 4.39Å; Y43-Y66 AromaticContact CE1-CD1 3.32Å; Y43-Y66 HydrophobicContact CE1-CD1 3.32Å; Y43-Y66 AromaticContact CE1-CE1 3.43Å; Y43-Y66 HydrophobicContact CE1-CE1 3.43Å; Y43-Y66 VanDerWaalsContact CE1-CE1 3.43Å; Y43-Y66 HydrophobicContact CE2-CD1 4.5Å; Y43-Y66 AromaticContact CZ-CD1 3.6Å; Y43-Y66 AromaticContact CZ-CE1 3.76Å; Q50-Y66 PolarHBondContact NE2-OH 2.94Å; D52-Y66 PolarHBondContact OD2-OH 2.85Å; L62-Y66 HydrophobicContact CD1-CE2 4.28Å; L62-Y66 HydrophobicContact CG-CE2 4.04Å; L62-Y66 VanDerWaalsContact O-CD2 3.29Å; L62-Y66 WeakPolarHBondContact O-CD2 3.49Å; L62-Y66 VanDerWaalsContact O-CE2 3.22Å; L62-Y66 WeakPolarHBondContact O-CE2 3.25Å; L63-Y66 HydrophobicContact CD2-CD2 4.11Å; L63-Y66 HydrophobicContact CD2-CE2 4.09Å; L63-Y66 PolarHBondContact O-N 3.38Å; S64-Y66 PolarHBondContact O-N 3.03Å; Y66-K68 PolarHBondContact O-N 3.48Å; Y66-R71 PolarHBondContact O-NE 3.01Å; Y66-R71 PolarHBondContact O-NH2 3.18Å; Y66-L75 HydrophobicContact CE2-CD2 3.87Å
67	P	87.6	Confident	90.8	Very high	29 Å²	29	51 Å²	51	19%	0.188	25%	0.254	C	S	.	.			trans	-51.7	141.4	164.9	-24.2	33.3	0	0	0	110.5	Y43 E69 C70 R71	Y43-P67 HydrophobicContact CD2-CG 4.01Å; Y43-P67 HydrophobicContact CG-CG 3.96Å; P67-E69 VanDerWaalsContact CB-CD 3.46Å; P67-E69 HydrophobicContact CB-CG 4.14Å; P67-E69 WeakPolarHBondContact CB-OE2 3.3Å; P67-E69 PolarHBondContact O-N 3.36Å; P67-C70 HydrophobicContact CB-CB 4.45Å; P67-C70 PolarHBondContact O-N 2.69Å; P67-R71 PolarHBondContact O-N 2.68Å
68	K	88.2	Confident	90.6	Very high	168 Å²	168	50.7 Å²	50.7	73%	0.73	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-56	-39.9	-173	-71.8	-176.7	178.8	179.8	0	111.5	Y66 C70 R71	Y66-K68 PolarHBondContact O-N 3.48Å; K68-C70 PolarHBondContact O-N 3.45Å; K68-R71 PolarHBondContact O-N 3.22Å
69	E	87.1	Confident	90.6	Very high	135 Å²	135	47.9 Å²	47.9	63%	0.631	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.7	-20.3	176.5	62.8	-89.1	-146.4	0	0	113.8	P67 H72	P67-E69 VanDerWaalsContact CB-CD 3.46Å; P67-E69 HydrophobicContact CB-CG 4.14Å; P67-E69 WeakPolarHBondContact CB-OE2 3.3Å; P67-E69 PolarHBondContact O-N 3.36Å; E69-H72 PolarHBondContact O-CE1 3.08Å; E69-H72 PolarHBondContact O-ND1 3.11Å
70	C	87.7	Confident	90.6	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.061	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-101	-11.1	179.2	-64.4	0	0	0	0	113.6	P67 K68 H72 L73	P67-C70 HydrophobicContact CB-CB 4.45Å; P67-C70 PolarHBondContact O-N 2.69Å; K68-C70 PolarHBondContact O-N 3.45Å; C70-H72 PolarHBondContact O-N 2.88Å; C70-H72 VanDerWaalsContact O-N 3.15Å; C70-L73 HydrophobicContact CB-CD1 3.95Å; C70-L73 VanDerWaalsContact O-CB 3.28Å; C70-L73 WeakPolarHBondContact O-CB 3.38Å; C70-L73 WeakPolarHBondContact O-CG 3.33Å; C70-L73 PolarHBondContact O-N 2.85Å
71	R	88.9	Confident	90.6	Very high	99 Å²	99	47.6 Å²	47.6	37%	0.374	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.8	-173.2	-74.9	175.4	-165.7	-172.7	-2.9	114.7	L63 S64 Y66 P67 K68 N98	L63-R71 PolarHBondContact O-NE 3.21Å; S64-R71 PolarHBondContact O-NH2 2.81Å; Y66-R71 PolarHBondContact O-NE 3.01Å; Y66-R71 PolarHBondContact O-NH2 3.18Å; P67-R71 PolarHBondContact O-N 2.68Å; K68-R71 PolarHBondContact O-N 3.22Å; R71-N98 PolarHBondContact O-ND2 3.17Å
72	H	88.3	Confident	90.3	Very high	132 Å²	132	52.4 Å²	52.4	61%	0.611	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.9	177.5	70.9	-85.7	0	0	0	113.1	E69 C70 N98	E69-H72 PolarHBondContact O-CE1 3.08Å; E69-H72 PolarHBondContact O-ND1 3.11Å; C70-H72 PolarHBondContact O-N 2.88Å; C70-H72 VanDerWaalsContact O-N 3.15Å; H72-N98 VanDerWaalsContact O-CB 3.26Å; H72-N98 WeakPolarHBondContact O-CB 3.1Å
73	L	90	Very high	89.9	Confident	28 Å²	28	53.2 Å²	53.2	15%	0.147	26%	0.264	C	S	.	.	S	Bend	trans	-68	148.9	-178.8	-63.8	175.3	0	0	0	111	K47 C70 L75 N98	K47-L73 HydrophobicContact CB-CD1 4.17Å; K47-L73 HydrophobicContact CD-CD1 4.28Å; K47-L73 HydrophobicContact CG-CD1 4.14Å; K47-L73 WeakPolarHBondContact O-CD1 3.22Å; C70-L73 HydrophobicContact CB-CD1 3.95Å; C70-L73 VanDerWaalsContact O-CB 3.28Å; C70-L73 WeakPolarHBondContact O-CB 3.38Å; C70-L73 WeakPolarHBondContact O-CG 3.33Å; C70-L73 PolarHBondContact O-N 2.85Å; L73-L75 PolarHBondContact O-N 3.29Å; L73-N98 PolarHBondContact O-ND2 2.77Å
74	P	91.6	Very high	89.5	Confident	51 Å²	51	52.6 Å²	52.6	33%	0.331	26%	0.262	S	S	.	.			trans	-54.6	125.9	175.6	-26.7	34.2	0	0	0	112.7	R48 E49 Q50	R48-P74 WeakPolarHBondContact O-CD 3.09Å; E49-P74 HydrophobicContact CB-CB 4.46Å; E49-P74 HydrophobicContact CG-CB 4.07Å; E49-P74 HydrophobicContact CG-CG 4.12Å; Q50-P74 PolarHBondContact N-O 2.82Å
75	L	91.3	Very high	89.4	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122	175.4	174.7	61.9	0	0	0	109	Q50 L62 L63 Y66 L73 I77 N98 V99 Q100	Q50-L75 HydrophobicContact CB-CD1 4Å; Q50-L75 HydrophobicContact CG-CD1 3.91Å; Q50-L75 WeakPolarHBondContact O-CA 3.17Å; L62-L75 HydrophobicContact CD2-CD2 4.45Å; L63-L75 HydrophobicContact CD2-CD2 4.04Å; Y66-L75 HydrophobicContact CE2-CD2 3.87Å; L73-L75 PolarHBondContact O-N 3.29Å; L75-I77 HydrophobicContact CD1-CG1 4.48Å; L75-I77 HydrophobicContact CD2-CD1 4.11Å; L75-I77 HydrophobicContact CD2-CG1 4.13Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; L75-N98 PolarHBondContact N-O 3.21Å; L75-V99 HydrophobicContact CB-CG2 4.39Å; L75-V99 HydrophobicContact CD2-CG2 4.32Å; L75-V99 CarbonylContact O-C 3.28Å; L75-V99 WeakPolarHBondContact O-CA 3.24Å; L75-Q100 PolarHBondContact O-N 2.71Å
76	L	91.5	Very high	89.4	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.1	169.4	-174.3	71.5	0	0	0	109.7	Q50 V51 D52 V78 Q100 V102 L179	Q50-L76 PolarHBondContact O-N 3.48Å; V51-L76 CarbonylContact C-O 3.44Å; V51-L76 VanDerWaalsContact CA-O 3.27Å; V51-L76 WeakPolarHBondContact CA-O 3.1Å; V51-L76 HydrophobicContact CB-CB 4.44Å; V51-L76 HydrophobicContact CG1-CB 4.07Å; V51-L76 HydrophobicContact CG1-CD2 3.95Å; V51-L76 HydrophobicContact CG1-CG 4.26Å; V51-L76 HydrophobicContact CG2-CB 4.17Å; D52-L76 PolarHBondContact N-O 3.04Å; L76-V78 HydrophobicContact CD2-CG2 4.12Å; L76-V78 HydrophobicContact CG-CG2 4.18Å; L76-Q100 HydrophobicContact CD1-CB 3.47Å; L76-Q100 VanDerWaalsContact CD1-CB 3.47Å; L76-V102 HydrophobicContact CD1-CG2 3.73Å; L76-V102 HydrophobicContact CD2-CG2 4.31Å; L76-V102 HydrophobicContact CG-CG2 4.3Å; L76-L179 HydrophobicContact CD2-CD1 3.24Å
77	I	92.8	Very high	89.7	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.7	174.7	-64.1	172.2	0	0	0	108.8	I57 L62 L75 T79 L89 V99 Q100 L101 V102	I57-I77 HydrophobicContact CD1-CG2 3.24Å; L62-I77 HydrophobicContact CD2-CD1 3.98Å; L62-I77 HydrophobicContact CD2-CG1 4.37Å; L75-I77 HydrophobicContact CD1-CG1 4.48Å; L75-I77 HydrophobicContact CD2-CD1 4.11Å; L75-I77 HydrophobicContact CD2-CG1 4.13Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; I77-T79 HydrophobicContact CG2-CG2 4.22Å; I77-L89 HydrophobicContact CD1-CD2 4.06Å; I77-L89 HydrophobicContact CG2-CD2 4.22Å; I77-V99 HydrophobicContact CD1-CG1 3.94Å; I77-Q100 PolarHBondContact N-O 3.39Å; I77-L101 HydrophobicContact CB-CD2 3.86Å; I77-L101 HydrophobicContact CD1-CD2 4.15Å; I77-L101 HydrophobicContact CG2-CD2 4.26Å; I77-L101 CarbonylContact O-C 3.56Å; I77-L101 WeakPolarHBondContact O-CA 3.47Å; I77-V102 PolarHBondContact O-N 3.33Å
78	V	92.4	Very high	90.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.4	177.7	-170.6	0	0	0	0	108.6	V51 D52 F53 N54 L76 V102 A104 H113 T169	V51-V78 HydrophobicContact CG1-CG2 3.96Å; D52-V78 PolarHBondContact O-N 3.07Å; F53-V78 WeakPolarHBondContact CA-O 3.37Å; F53-V78 HydrophobicContact CD1-CB 3.52Å; F53-V78 HydrophobicContact CD1-CG1 3.67Å; F53-V78 HydrophobicContact CD1-CG2 3.92Å; F53-V78 HydrophobicContact CE1-CB 3.76Å; F53-V78 HydrophobicContact CE1-CG1 3.81Å; F53-V78 HydrophobicContact CE1-CG2 3.65Å; F53-V78 HydrophobicContact CG-CB 4.23Å; F53-V78 HydrophobicContact CZ-CG2 4.09Å; N54-V78 PolarHBondContact N-O 3.17Å; N54-V78 VanDerWaalsContact N-O 3.11Å; L76-V78 HydrophobicContact CD2-CG2 4.12Å; L76-V78 HydrophobicContact CG-CG2 4.18Å; V78-V102 WeakPolarHBondContact CA-O 3.12Å; V78-V102 HydrophobicContact CG1-CB 4.36Å; V78-V102 HydrophobicContact CG1-CG1 4.18Å; V78-V102 HydrophobicContact CG2-CB 4.18Å; V78-A104 HydrophobicContact CG1-CB 4.25Å; V78-H113 PolarHBondContact O-CE1 2.74Å; V78-H113 VanDerWaalsContact O-CE1 3.24Å; V78-T169 HydrophobicContact CG2-CG2 4.46Å
79	T	94.4	Very high	90.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-178.5	-179.6	-174	0	0	0	0	109.7	N54 F55 I57 I77 S84 W86 L89 V102 D103 A104	N54-T79 PolarHBondContact O-OG1 3.21Å; F55-T79 PolarHBondContact O-OG1 3.14Å; I57-T79 HydrophobicContact CD1-CG2 4.18Å; I77-T79 HydrophobicContact CG2-CG2 4.22Å; T79-S84 PolarHBondContact OG1-OG 3.31Å; T79-S84 VanDerWaalsContact OG1-OG 3.1Å; T79-W86 HydrophobicContact CG2-CE3 4.37Å; T79-W86 HydrophobicContact CG2-CZ3 3.97Å; T79-L89 HydrophobicContact CG2-CD1 3.83Å; T79-V102 PolarHBondContact N-O 2.84Å; T79-V102 VanDerWaalsContact N-O 3.12Å; T79-V102 VanDerWaalsContact O-O 3.09Å; T79-D103 CarbonylContact O-C 3.45Å; T79-D103 WeakPolarHBondContact O-CA 3.44Å; T79-A104 PolarHBondContact O-N 2.92Å
80	S	92	Very high	90.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.245	C	C	.	.			trans	-102.8	138.1	169	-177.4	0	0	0	0	111.3	N82 S83 S84 D103 L106	S80-N82 PolarHBondContact O-N 3.49Å; S80-N82 PolarHBondContact OG-N 3.02Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S84 PolarHBondContact O-N 3.34Å; S80-D103 WeakPolarHBondContact CA-OD1 3.48Å; S80-L106 WeakPolarHBondContact OG-CD1 3.46Å
81	R	91.6	Very high	91.1	Very high	143 Å²	143	52.6 Å²	52.6	54%	0.54	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.5	170.8	74.2	176.8	74.8	177.4	4.3	113.9	W86 D103	R81-W86 HydrophobicContact CB-CB 4.03Å; R81-W86 HydrophobicContact CB-CD2 3.72Å; R81-W86 HydrophobicContact CB-CE3 4.21Å; R81-W86 HydrophobicContact CB-CG 3.59Å; R81-D103 IonicContact CZ-OD2 3.58Å; R81-D103 PolarHBondContact N-OD1 3.18Å; R81-D103 IonicContact NE-OD1 2.73Å; R81-D103 IonicContact NE-OD2 2.8Å; R81-D103 PolarHBondContact NE-OD2 3.39Å; R81-D103 IonicContact NH2-OD2 3.73Å; R81-D103 PolarHBondContact NH2-OD2 3.15Å
82	N	87.6	Confident	91.3	Very high	133 Å²	133	48.6 Å²	48.6	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.3	-179.7	-63.5	-26.4	0	0	0	113.2	S80	S80-N82 PolarHBondContact O-N 3.49Å; S80-N82 PolarHBondContact OG-N 3.02Å
83	S	83.5	Confident	91.5	Very high	23 Å²	23	43.3 Å²	43.3	16%	0.161	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-22.8	-170.9	-56.7	0	0	0	0	113.7	F55 M56 S80	F55-S83 VanDerWaalsContact CE2-CB 3.43Å; F55-S83 WeakPolarHBondContact CE2-OG 3.38Å; F55-S83 CarbonylContact O-C 3.49Å; F55-S83 WeakPolarHBondContact O-CB 3.33Å; M56-S83 WeakPolarHBondContact CG-O 3.05Å; S80-S83 PolarHBondContact O-N 2.87Å
84	S	83.5	Confident	91.7	Very high	16 Å²	16	51 Å²	51	11%	0.112	26%	0.258	C	S	.	.	S	Bend	trans	-122.1	162.7	176	-59	0	0	0	0	110.4	F55 M56 I57 T79 S80 W86	F55-S84 PolarHBondContact O-OG 3.25Å; M56-S84 WeakPolarHBondContact CA-OG 3.33Å; I57-S84 PolarHBondContact N-OG 2.83Å; T79-S84 PolarHBondContact OG1-OG 3.31Å; T79-S84 VanDerWaalsContact OG1-OG 3.1Å; S80-S84 PolarHBondContact O-N 3.34Å; S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact O-N 3.02Å
85	S	88	Confident	91.7	Very high	58 Å²	58	56.1 Å²	56.1	41%	0.406	28%	0.278	S	S	.	.			trans	-63.6	85.8	171	-65.1	0	0	0	0	111.1	E87 E88 L89	S85-E87 VanDerWaalsContact C-N 3.26Å; S85-E87 PolarHBondContact O-N 3.4Å; S85-E88 WeakPolarHBondContact CB-OE2 3.49Å; S85-E88 PolarHBondContact O-N 3.22Å; S85-E88 PolarHBondContact OG-OE1 3.14Å; S85-E88 PolarHBondContact OG-OE2 3.22Å; S85-L89 PolarHBondContact O-N 3.3Å
86	W	92.7	Very high	91.7	Very high	44 Å²	44	57 Å²	57	17%	0.167	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-30.7	-171.5	-169.7	-121.6	0	0	0	113.4	T79 R81 S84 L89 K90 L101 D103	T79-W86 HydrophobicContact CG2-CE3 4.37Å; T79-W86 HydrophobicContact CG2-CZ3 3.97Å; R81-W86 HydrophobicContact CB-CB 4.03Å; R81-W86 HydrophobicContact CB-CD2 3.72Å; R81-W86 HydrophobicContact CB-CE3 4.21Å; R81-W86 HydrophobicContact CB-CG 3.59Å; S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact O-N 3.02Å; W86-L89 HydrophobicContact CE3-CB 4.49Å; W86-L89 HydrophobicContact CE3-CD1 3.97Å; W86-L89 HydrophobicContact CZ3-CD1 4.37Å; W86-K90 WeakPolarHBondContact O-CB 3.41Å; W86-K90 WeakPolarHBondContact O-CE 2.98Å; W86-K90 WeakPolarHBondContact O-CG 3.4Å; W86-K90 PolarHBondContact O-N 2.77Å; W86-L101 HydrophobicContact CH2-CB 3.72Å; W86-L101 HydrophobicContact CH2-CD1 4.22Å; W86-L101 HydrophobicContact CZ2-CB 4.45Å; W86-L101 HydrophobicContact CZ3-CB 4.25Å; W86-L101 HydrophobicContact CZ3-CD1 4.37Å; W86-D103 HydrophobicContact CH2-CB 3.85Å; W86-D103 HydrophobicContact CZ2-CB 4Å
87	E	93.9	Very high	91.6	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-70.9	-39.8	175.5	-61	-51.5	142.2	0	0	112.5	S85 K90 A91	S85-E87 VanDerWaalsContact C-N 3.26Å; S85-E87 PolarHBondContact O-N 3.4Å; E87-K90 PolarHBondContact O-N 3.43Å; E87-K90 WeakPolarHBondContact OE1-CE 3.44Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 3.08Å; E87-K90 VanDerWaalsContact OE2-CE 3.28Å; E87-K90 WeakPolarHBondContact OE2-CE 3.07Å; E87-K90 IonicContact OE2-NZ 3.76Å; E87-K90 PolarHBondContact OE2-NZ 3.4Å; E87-A91 WeakPolarHBondContact O-CB 3.02Å; E87-A91 PolarHBondContact O-N 3.04Å
88	E	94.4	Very high	91.5	Very high	105 Å²	105	64 Å²	64	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174.7	-68.7	166.4	-154.8	0	0	110.9	P59 S85 K90 A91 V92	P59-E88 HydrophobicContact CG-CB 4.2Å; S85-E88 WeakPolarHBondContact CB-OE2 3.49Å; S85-E88 PolarHBondContact O-N 3.22Å; S85-E88 PolarHBondContact OG-OE1 3.14Å; S85-E88 PolarHBondContact OG-OE2 3.22Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.3Å; E88-A91 WeakPolarHBondContact O-CB 3.38Å; E88-A91 PolarHBondContact O-N 2.81Å; E88-A91 VanDerWaalsContact O-N 3.16Å; E88-V92 PolarHBondContact O-N 3.39Å
89	L	94.8	Very high	91.5	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-46.6	173.3	-81.4	161.9	0	0	0	111.3	I57 P59 I77 T79 S85 W86 V92 A93 L101	I57-L89 HydrophobicContact CB-CD2 4.44Å; I57-L89 HydrophobicContact CG2-CD2 4.15Å; P59-L89 HydrophobicContact CB-CD2 3.87Å; P59-L89 HydrophobicContact CB-CG 4.44Å; P59-L89 HydrophobicContact CG-CD2 4.34Å; P59-L89 HydrophobicContact CG-CG 4.39Å; I77-L89 HydrophobicContact CD1-CD2 4.06Å; I77-L89 HydrophobicContact CG2-CD2 4.22Å; T79-L89 HydrophobicContact CG2-CD1 3.83Å; S85-L89 PolarHBondContact O-N 3.3Å; W86-L89 HydrophobicContact CE3-CB 4.49Å; W86-L89 HydrophobicContact CE3-CD1 3.97Å; W86-L89 HydrophobicContact CZ3-CD1 4.37Å; L89-V92 PolarHBondContact O-N 3.38Å; L89-A93 WeakPolarHBondContact O-CB 3.3Å; L89-A93 PolarHBondContact O-N 2.69Å; L89-L101 HydrophobicContact CB-CD1 3.89Å; L89-L101 HydrophobicContact CB-CD2 4.25Å; L89-L101 HydrophobicContact CD2-CD2 4.01Å
90	K	95.2	Very high	91.4	Very high	82 Å²	82	66.6 Å²	66.6	36%	0.357	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176.7	-85.7	-175.1	-81.6	163.2	0	112.4	W86 E87 E88 A93 K94 L101	W86-K90 WeakPolarHBondContact O-CB 3.41Å; W86-K90 WeakPolarHBondContact O-CE 2.98Å; W86-K90 WeakPolarHBondContact O-CG 3.4Å; W86-K90 PolarHBondContact O-N 2.77Å; E87-K90 PolarHBondContact O-N 3.43Å; E87-K90 WeakPolarHBondContact OE1-CE 3.44Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 3.08Å; E87-K90 VanDerWaalsContact OE2-CE 3.28Å; E87-K90 WeakPolarHBondContact OE2-CE 3.07Å; E87-K90 IonicContact OE2-NZ 3.76Å; E87-K90 PolarHBondContact OE2-NZ 3.4Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.3Å; K90-A93 PolarHBondContact O-N 3.03Å; K90-K94 WeakPolarHBondContact O-CB 3.31Å; K90-K94 PolarHBondContact O-N 3.34Å; K90-L101 HydrophobicContact CG-CD1 4.05Å
91	A	95.5	Very high	91.4	Very high	46 Å²	46	68.4 Å²	68.4	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-45.8	177.8	0	0	0	0	0	111.2	E87 E88 K94 Q95	E87-A91 WeakPolarHBondContact O-CB 3.02Å; E87-A91 PolarHBondContact O-N 3.04Å; E88-A91 WeakPolarHBondContact O-CB 3.38Å; E88-A91 PolarHBondContact O-N 2.81Å; E88-A91 VanDerWaalsContact O-N 3.16Å; A91-K94 PolarHBondContact O-N 3.24Å; A91-Q95 WeakPolarHBondContact O-CG 3.12Å; A91-Q95 PolarHBondContact O-N 2.93Å
92	V	92.9	Very high	91.4	Very high	15 Å²	15	61.9 Å²	61.9	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-45.2	176.1	170.3	0	0	0	0	111.7	P59 E60 L63 E88 L89 K94 Q95 S96	P59-V92 HydrophobicContact CB-CB 3.93Å; P59-V92 HydrophobicContact CB-CG1 4.07Å; P59-V92 HydrophobicContact CB-CG2 3.8Å; P59-V92 HydrophobicContact CG-CB 4.32Å; P59-V92 HydrophobicContact CG-CG2 3.78Å; E60-V92 HydrophobicContact CG-CG2 4.1Å; L63-V92 HydrophobicContact CD1-CG1 3.28Å; L63-V92 HydrophobicContact CG-CG1 4.28Å; E88-V92 PolarHBondContact O-N 3.39Å; L89-V92 PolarHBondContact O-N 3.38Å; V92-K94 PolarHBondContact O-N 3.35Å; V92-Q95 CarbonylContact O-C 3.55Å; V92-Q95 PolarHBondContact O-N 3.16Å; V92-Q95 VanDerWaalsContact O-N 3.08Å; V92-S96 WeakPolarHBondContact O-CB 3.14Å; V92-S96 PolarHBondContact O-N 2.98Å; V92-S96 PolarHBondContact O-OG 3.45Å
93	A	92.3	Very high	91.6	Very high	20 Å²	20	57.1 Å²	57.1	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-30	177.4	0	0	0	0	0	112.9	L89 K90 S96 V99 L101	L89-A93 WeakPolarHBondContact O-CB 3.3Å; L89-A93 PolarHBondContact O-N 2.69Å; K90-A93 PolarHBondContact O-N 3.03Å; A93-S96 CarbonylContact O-C 3.53Å; A93-V99 HydrophobicContact CB-CB 4.48Å; A93-V99 HydrophobicContact CB-CG1 4.21Å; A93-L101 HydrophobicContact CB-CD1 3.89Å; A93-L101 HydrophobicContact CB-CD2 4.38Å; A93-L101 HydrophobicContact CB-CG 3.88Å
94	K	93.3	Very high	91.9	Very high	190 Å²	190	56 Å²	56	83%	0.826	29%	0.294	S	S	*	.	H	α-helix	trans	-69.1	-34.7	173.5	-173.9	180	178.4	-176	0	112.2	K90 A91 V92	K90-K94 WeakPolarHBondContact O-CB 3.31Å; K90-K94 PolarHBondContact O-N 3.34Å; A91-K94 PolarHBondContact O-N 3.24Å; V92-K94 PolarHBondContact O-N 3.35Å
95	Q	92.9	Very high	92	Very high	159 Å²	159	56.5 Å²	56.5	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-84.2	-24.6	178.5	-65.2	177.9	35.8	0	0	112.7	A91 V92 P97	A91-Q95 WeakPolarHBondContact O-CG 3.12Å; A91-Q95 PolarHBondContact O-N 2.93Å; V92-Q95 CarbonylContact O-C 3.55Å; V92-Q95 PolarHBondContact O-N 3.16Å; V92-Q95 VanDerWaalsContact O-N 3.08Å; Q95-P97 WeakPolarHBondContact O-CD 3.49Å
96	S	91.5	Very high	92.1	Very high	27 Å²	27	55.9 Å²	55.9	19%	0.189	29%	0.288	C	S	.	.			trans	-116.4	90.2	-176.1	-56.2	0	0	0	0	110.4	V92 A93 N98 V99	V92-S96 WeakPolarHBondContact O-CB 3.14Å; V92-S96 PolarHBondContact O-N 2.98Å; V92-S96 PolarHBondContact O-OG 3.45Å; A93-S96 CarbonylContact O-C 3.53Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-V99 WeakPolarHBondContact O-CB 3.3Å; S96-V99 PolarHBondContact O-N 3.37Å
97	P	88	Confident	91.9	Very high	118 Å²	118	58.4 Å²	58.4	77%	0.766	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.2	-171.7	25.5	-35.2	0	0	0	114.7	Q95 V99	Q95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-V99 VanDerWaalsContact C-N 3.35Å
98	N	91.6	Very high	91.8	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.182	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.5	172.7	62.6	-62.7	0	0	0	113.4	R71 H72 L73 L75 S96	R71-N98 PolarHBondContact O-ND2 3.17Å; H72-N98 VanDerWaalsContact O-CB 3.26Å; H72-N98 WeakPolarHBondContact O-CB 3.1Å; L73-N98 PolarHBondContact O-ND2 2.77Å; L75-N98 PolarHBondContact N-O 3.21Å; S96-N98 PolarHBondContact O-N 3.11Å
99	V	92.7	Very high	91.8	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.7	179.5	-178.5	0	0	0	0	110	L63 L75 I77 A93 S96 P97 L101	L63-V99 HydrophobicContact CD2-CG2 4.09Å; L75-V99 HydrophobicContact CB-CG2 4.39Å; L75-V99 HydrophobicContact CD2-CG2 4.32Å; L75-V99 CarbonylContact O-C 3.28Å; L75-V99 WeakPolarHBondContact O-CA 3.24Å; I77-V99 HydrophobicContact CD1-CG1 3.94Å; A93-V99 HydrophobicContact CB-CB 4.48Å; A93-V99 HydrophobicContact CB-CG1 4.21Å; S96-V99 WeakPolarHBondContact O-CB 3.3Å; S96-V99 PolarHBondContact O-N 3.37Å; P97-V99 VanDerWaalsContact C-N 3.35Å; V99-L101 HydrophobicContact CG1-CD2 4.34Å
100	Q	91.9	Very high	91.6	Very high	45 Å²	45	62.5 Å²	62.5	21%	0.21	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.3	173.9	-75.4	169.6	43	0	0	110.2	L75 L76 I77	L75-Q100 PolarHBondContact O-N 2.71Å; L76-Q100 HydrophobicContact CD1-CB 3.47Å; L76-Q100 VanDerWaalsContact CD1-CB 3.47Å; I77-Q100 PolarHBondContact N-O 3.39Å
101	L	92.3	Very high	91.5	Very high	39 Å²	39	59.2 Å²	59.2	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.6	179.3	-54.4	178.1	0	0	0	110.6	I77 W86 L89 K90 A93 V99	I77-L101 HydrophobicContact CB-CD2 3.86Å; I77-L101 HydrophobicContact CD1-CD2 4.15Å; I77-L101 HydrophobicContact CG2-CD2 4.26Å; I77-L101 CarbonylContact O-C 3.56Å; I77-L101 WeakPolarHBondContact O-CA 3.47Å; W86-L101 HydrophobicContact CH2-CB 3.72Å; W86-L101 HydrophobicContact CH2-CD1 4.22Å; W86-L101 HydrophobicContact CZ2-CB 4.45Å; W86-L101 HydrophobicContact CZ3-CB 4.25Å; W86-L101 HydrophobicContact CZ3-CD1 4.37Å; L89-L101 HydrophobicContact CB-CD1 3.89Å; L89-L101 HydrophobicContact CB-CD2 4.25Å; L89-L101 HydrophobicContact CD2-CD2 4.01Å; K90-L101 HydrophobicContact CG-CD1 4.05Å; A93-L101 HydrophobicContact CB-CD1 3.89Å; A93-L101 HydrophobicContact CB-CD2 4.38Å; A93-L101 HydrophobicContact CB-CG 3.88Å; V99-L101 HydrophobicContact CG1-CD2 4.34Å
102	V	91	Very high	91.5	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.6	169.3	173.6	0	0	0	0	108	L76 I77 V78 T79 A104	L76-V102 HydrophobicContact CD1-CG2 3.73Å; L76-V102 HydrophobicContact CD2-CG2 4.31Å; L76-V102 HydrophobicContact CG-CG2 4.3Å; I77-V102 PolarHBondContact O-N 3.33Å; V78-V102 WeakPolarHBondContact CA-O 3.12Å; V78-V102 HydrophobicContact CG1-CB 4.36Å; V78-V102 HydrophobicContact CG1-CG1 4.18Å; V78-V102 HydrophobicContact CG2-CB 4.18Å; T79-V102 PolarHBondContact N-O 2.84Å; T79-V102 VanDerWaalsContact N-O 3.12Å; T79-V102 VanDerWaalsContact O-O 3.09Å; V102-A104 PolarHBondContact O-N 3.19Å
103	D	91.9	Very high	91.6	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.171	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.2	168.3	177.8	45.4	0	0	0	109.1	T79 S80 R81 W86	T79-D103 CarbonylContact O-C 3.45Å; T79-D103 WeakPolarHBondContact O-CA 3.44Å; S80-D103 WeakPolarHBondContact CA-OD1 3.48Å; R81-D103 IonicContact CZ-OD2 3.58Å; R81-D103 PolarHBondContact N-OD1 3.18Å; R81-D103 IonicContact NE-OD1 2.73Å; R81-D103 IonicContact NE-OD2 2.8Å; R81-D103 PolarHBondContact NE-OD2 3.39Å; R81-D103 IonicContact NH2-OD2 3.73Å; R81-D103 PolarHBondContact NH2-OD2 3.15Å; W86-D103 HydrophobicContact CH2-CB 3.85Å; W86-D103 HydrophobicContact CZ2-CB 4Å
104	A	89.8	Confident	91.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.008	30%	0.304	C	S	.	.			trans	-70.4	139.1	-177.9	0	0	0	0	0	111.3	V78 T79 V102 L106 H113 M168	V78-A104 HydrophobicContact CG1-CB 4.25Å; T79-A104 PolarHBondContact O-N 2.92Å; V102-A104 PolarHBondContact O-N 3.19Å; A104-L106 PolarHBondContact O-N 2.91Å; A104-H113 HydrophobicContact CB-CB 3.97Å; A104-H113 WeakPolarHBondContact CB-CD2 3.29Å; A104-M168 WeakPolarHBondContact CB-O 3.48Å
105	P	85.1	Confident	91.9	Very high	25 Å²	25	48.7 Å²	48.7	16%	0.162	27%	0.265	C	S	.	.			trans	-70.5	124.9	-177.3	29.2	-36.8	0	0	0	113	P107 S167 F170 F372	P105-P107 VanDerWaalsContact C-CD 3.47Å; P105-P107 WeakPolarHBondContact O-CD 3.48Å; P105-S167 WeakPolarHBondContact CG-O 3.27Å; P105-F170 HydrophobicContact CB-CD2 3.39Å; P105-F170 HydrophobicContact CB-CE2 3.5Å; P105-F170 HydrophobicContact CG-CD2 3.59Å; P105-F170 HydrophobicContact CG-CE2 4.16Å; P105-F372 HydrophobicContact CG-CE2 4.38Å; P105-F372 HydrophobicContact CG-CZ 4.36Å; P105-F372 VanDerWaalsContact O-CE2 3.29Å; P105-F372 WeakPolarHBondContact O-CE2 3.45Å
106	L	90.4	Very high	92	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.236	23%	0.229	C	C	.	.			trans	-114.4	79.7	170.2	-62.9	178.1	0	0	0	109.7	S80 A104 I108 S112 H113 F372	S80-L106 WeakPolarHBondContact OG-CD1 3.46Å; A104-L106 PolarHBondContact O-N 2.91Å; L106-I108 PolarHBondContact O-N 3.01Å; L106-S112 VanDerWaalsContact CD2-C 3.46Å; L106-H113 HydrophobicContact CD2-CB 4.34Å; L106-F372 HydrophobicContact CD2-CD2 4.22Å; L106-F372 HydrophobicContact CD2-CE2 4.46Å
107	P	87.7	Confident	92.2	Very high	98 Å²	98	39.9 Å²	39.9	64%	0.636	22%	0.22	S	C	*	.			trans	-72.6	-13.2	-174.2	30.3	-36.5	0	0	0	113.3	P105 P198	P105-P107 VanDerWaalsContact C-CD 3.47Å; P105-P107 WeakPolarHBondContact O-CD 3.48Å; P107-P198 HydrophobicContact CG-CB 4.5Å
108	I	93.3	Very high	92.4	Very high	26 Å²	26	34.5 Å²	34.5	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-117.5	126.8	-172.9	-66.6	153.1	0	0	0	109.2	L106 G111 P198 F368 R370	L106-I108 PolarHBondContact O-N 3.01Å; I108-G111 PolarHBondContact O-N 3.09Å; I108-P198 HydrophobicContact CD1-CB 3.91Å; I108-F368 HydrophobicContact CD1-CE2 3.7Å; I108-F368 HydrophobicContact CG1-CE2 4.16Å; I108-F368 HydrophobicContact CG2-CE2 3.9Å; I108-F368 HydrophobicContact CG2-CZ 3.61Å; I108-R370 HydrophobicContact CG2-CB 4.09Å; I108-R370 HydrophobicContact CG2-CG 3.78Å
109	P	93.3	Very high	92.3	Very high	89 Å²	89	32.9 Å²	32.9	58%	0.578	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	147.7	175.6	-26.6	34.5	0	0	0	112.5	G111 R370	P109-G111 PolarHBondContact O-N 2.94Å; P109-R370 PolarHBondContact O-NH1 3.34Å
110	Y	91.1	Very high	92	Very high	207 Å²	207	32.5 Å²	32.5	81%	0.812	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	9.7	-176.8	-44.5	-76.5	0	0	0	114.5
111	G	94	Very high	91.7	Very high	12 Å²	12	33 Å²	33	12%	0.124	18%	0.176	C	C	.	.			trans	-79.5	160.5	166.5	0	0	0	0	0	112.3	I108 P109 R370	I108-G111 PolarHBondContact O-N 3.09Å; P109-G111 PolarHBondContact O-N 2.94Å; G111-R370 WeakPolarHBondContact CA-O 3.4Å
112	S	95.1	Very high	91.3	Very high	33 Å²	33	32.1 Å²	32.1	23%	0.231	17%	0.17	C	C	.	.			trans	-142.4	151	174.9	-62.4	0	0	0	0	111.3	L106 H114 S371 F372	L106-S112 VanDerWaalsContact CD2-C 3.46Å; S112-H114 PolarHBondContact O-N 2.86Å; S112-S371 PolarHBondContact N-OG 3.43Å; S112-S371 VanDerWaalsContact N-OG 3.09Å; S112-S371 CarbonylContact O-C 3.43Å; S112-S371 VanDerWaalsContact O-CA 3.25Å; S112-S371 WeakPolarHBondContact O-CA 3.45Å; S112-S371 WeakPolarHBondContact O-CB 3.34Å; S112-F372 PolarHBondContact O-N 2.9Å
113	H	94.5	Very high	90.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-85.1	86	166.7	-177.1	-94.3	0	0	0	107.5	F53 N54 F55 V78 A104 L106 M168 F372	F53-H113 AromaticContact CD1-NE2 4Å; N54-H113 PolarHBondContact O-ND1 3.18Å; F55-H113 WeakPolarHBondContact CA-O 3.47Å; V78-H113 PolarHBondContact O-CE1 2.74Å; V78-H113 VanDerWaalsContact O-CE1 3.24Å; A104-H113 HydrophobicContact CB-CB 3.97Å; A104-H113 WeakPolarHBondContact CB-CD2 3.29Å; L106-H113 HydrophobicContact CD2-CB 4.34Å; H113-M168 WeakPolarHBondContact NE2-CE 3.33Å; H113-F372 AromaticContact CD2-CD2 3.8Å
114	H	96.2	Very high	90.2	Very high	18 Å²	18	38.2 Å²	38.2	8%	0.083	22%	0.215	C	C	.	.			trans	-104.6	0.4	-169.3	-166.2	-100	0	0	0	113.5	F55 S112 K116 S349 N351 F372 E373	F55-H114 AromaticContact CG-CD2 3.77Å; S112-H114 PolarHBondContact O-N 2.86Å; H114-K116 PolarHBondContact CD2-NZ 2.78Å; H114-K116 VanDerWaalsContact CD2-NZ 3.28Å; H114-K116 PolarHBondContact CE1-NZ 3.47Å; H114-K116 PolarHBondContact NE2-NZ 3.19Å; H114-K116 WeakPolarHBondContact O-CG 3.42Å; H114-K116 PolarHBondContact O-N 3.37Å; H114-K116 PolarHBondContact O-NZ 3.16Å; H114-S349 PolarHBondContact CE1-O 3.17Å; H114-S349 PolarHBondContact ND1-O 2.91Å; H114-S349 WeakPolarHBondContact O-CB 3.24Å; H114-S349 PolarHBondContact O-OG 3.14Å; H114-N351 PolarHBondContact CE1-ND2 2.8Å; H114-F372 CarbonylContact C-O 3.56Å; H114-F372 WeakPolarHBondContact CA-O 3.48Å; H114-F372 PolarHBondContact N-O 3.33Å; H114-E373 WeakPolarHBondContact CB-OE1 3.34Å; H114-E373 IonicContact CG-OE1 3.82Å; H114-E373 IonicContact CG-OE2 2.68Å; H114-E373 IonicContact ND1-OE1 2.67Å; H114-E373 PolarHBondContact ND1-OE1 3.44Å; H114-E373 IonicContact ND1-OE2 3.07Å; H114-E373 PolarHBondContact ND1-OE2 3.26Å
115	S	94.9	Very high	89.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.			trans	-59.9	134.9	175.2	-59.3	0	0	0	0	111.6	F53 N54 M168 F372 E373	F53-S115 CarbonylContact C-O 3.55Å; N54-S115 WeakPolarHBondContact CA-O 3.41Å; N54-S115 PolarHBondContact N-O 3.21Å; S115-M168 WeakPolarHBondContact OG-CE 3.48Å; S115-F372 PolarHBondContact N-O 2.84Å; S115-F372 WeakPolarHBondContact OG-CB 3.45Å; S115-F372 PolarHBondContact OG-O 3.08Å; S115-E373 WeakPolarHBondContact OG-CA 3.27Å; S115-E373 PolarHBondContact OG-N 3.31Å
116	K	96.9	Very high	89.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.			trans	-127.4	87.3	-175.2	-71.6	172.1	169.9	63.5	0	108.1	F53 H114 H131 T132 A133 N134	F53-K116 VanDerWaalsContact O-CA 3.29Å; F53-K116 WeakPolarHBondContact O-CA 3.33Å; H114-K116 PolarHBondContact CD2-NZ 2.78Å; H114-K116 VanDerWaalsContact CD2-NZ 3.28Å; H114-K116 PolarHBondContact CE1-NZ 3.47Å; H114-K116 PolarHBondContact NE2-NZ 3.19Å; H114-K116 WeakPolarHBondContact O-CG 3.42Å; H114-K116 PolarHBondContact O-N 3.37Å; H114-K116 PolarHBondContact O-NZ 3.16Å; K116-H131 WeakPolarHBondContact CB-O 3.49Å; K116-H131 PolarHBondContact O-CD2 2.67Å; K116-H131 PolarHBondContact O-N 3.46Å; K116-T132 WeakPolarHBondContact CD-O 3.38Å; K116-T132 WeakPolarHBondContact CE-O 3.24Å; K116-A133 VanDerWaalsContact CD-O 3.26Å; K116-A133 WeakPolarHBondContact CD-O 3.44Å; K116-A133 WeakPolarHBondContact CE-O 3.36Å; K116-N134 VanDerWaalsContact CE-OD1 3.23Å; K116-N134 WeakPolarHBondContact CE-OD1 3.38Å; K116-N134 PolarHBondContact NZ-OD1 2.9Å
117	M	94.1	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140.6	-171	173.6	171.3	74.3	0	0	110.1	F53 L119 V128 V129 I130 L165 L184 V374	F53-M117 HydrophobicContact CB-CB 4.2Å; F53-M117 HydrophobicContact CD2-CB 4.14Å; F53-M117 HydrophobicContact CD2-CE 3.51Å; F53-M117 HydrophobicContact CD2-CG 4.23Å; F53-M117 WeakPolarHBondContact CD2-O 3.22Å; F53-M117 HydrophobicContact CE2-CE 3.52Å; F53-M117 HydrophobicContact CG-CB 4.49Å; F53-M117 HydrophobicContact CG-CE 4.07Å; F53-M117 HydrophobicContact CZ-CE 4.08Å; F53-M117 PolarHBondContact N-O 3.35Å; F53-M117 PolarHBondContact O-N 2.77Å; M117-L119 HydrophobicContact CE-CD1 4.5Å; M117-L119 HydrophobicContact CE-CD2 4.18Å; M117-L119 HydrophobicContact CE-CG 4.43Å; M117-L119 HydrophobicContact CG-CD2 3.88Å; M117-L119 HydrophobicContact CG-CG 4.49Å; M117-L119 HydrophobicContact SD-CD2 3.87Å; M117-V128 HydrophobicContact CG-CG1 4.26Å; M117-V128 HydrophobicContact SD-CG1 4.1Å; M117-V129 CarbonylContact C-O 3.44Å; M117-V129 WeakPolarHBondContact CA-O 3.07Å; M117-I130 HydrophobicContact CB-CD1 3.72Å; M117-I130 HydrophobicContact CG-CD1 3.56Å; M117-I130 HydrophobicContact SD-CD1 3.62Å; M117-L165 HydrophobicContact CE-CD2 3.95Å; M117-L184 HydrophobicContact SD-CD1 4.08Å; M117-V374 HydrophobicContact CB-CG2 4.03Å
118	I	92.6	Very high	89.2	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.3	173	-54.1	173.4	0	0	0	107.7	Q50 V51 D52 L120 V129	Q50-I118 HydrophobicContact CG-CG2 3.78Å; V51-I118 CarbonylContact O-C 3.03Å; V51-I118 WeakPolarHBondContact O-CA 3.3Å; D52-I118 WeakPolarHBondContact OD1-CG2 3.43Å; I118-L120 HydrophobicContact CG2-CD1 4.49Å; I118-L120 HydrophobicContact CG2-CD2 3.68Å; I118-L120 HydrophobicContact CG2-CG 3.87Å; I118-V129 HydrophobicContact CB-CB 4.07Å; I118-V129 HydrophobicContact CB-CG2 4.46Å; I118-V129 PolarHBondContact N-O 2.95Å; I118-V129 PolarHBondContact O-N 2.76Å
119	L	88.7	Confident	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	170.2	-51.2	-176.7	0	0	0	108.8	Q50 V51 F53 M117 V128 L165 W178 L179 L184	Q50-L119 CarbonylContact C-O 3.56Å; Q50-L119 VanDerWaalsContact CA-O 3.23Å; Q50-L119 WeakPolarHBondContact CA-O 3.41Å; V51-L119 HydrophobicContact CB-CB 4.09Å; V51-L119 HydrophobicContact CB-CD1 4.41Å; V51-L119 HydrophobicContact CB-CG 4.39Å; V51-L119 HydrophobicContact CG2-CB 4.45Å; V51-L119 PolarHBondContact N-O 3.33Å; V51-L119 PolarHBondContact O-N 3.4Å; F53-L119 HydrophobicContact CE2-CD1 3.87Å; F53-L119 HydrophobicContact CE2-CG 4Å; F53-L119 HydrophobicContact CZ-CD1 4.46Å; M117-L119 HydrophobicContact CE-CD1 4.5Å; M117-L119 HydrophobicContact CE-CD2 4.18Å; M117-L119 HydrophobicContact CE-CG 4.43Å; M117-L119 HydrophobicContact CG-CD2 3.88Å; M117-L119 HydrophobicContact CG-CG 4.49Å; M117-L119 HydrophobicContact SD-CD2 3.87Å; L119-V128 HydrophobicContact CD2-CB 4.34Å; L119-V128 HydrophobicContact CD2-CG1 3.99Å; L119-V128 HydrophobicContact CD2-CG2 3.99Å; L119-L165 HydrophobicContact CD1-CD1 4.43Å; L119-L165 HydrophobicContact CD1-CD2 4.08Å; L119-W178 HydrophobicContact CB-CH2 4.38Å; L119-L179 HydrophobicContact CD1-CD2 3.82Å; L119-L184 HydrophobicContact CD1-CD1 4.42Å; L119-L184 HydrophobicContact CD2-CD1 3.6Å
120	L	87.7	Confident	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.5	-178.7	-58.2	167.2	0	0	0	108.8	L42 K47 Q50 I118 Y122 V126 Q127 V129	L42-L120 HydrophobicContact CB-CD1 3.91Å; L42-L120 HydrophobicContact CD1-CD1 4.4Å; L42-L120 HydrophobicContact CD2-CD1 4Å; L42-L120 HydrophobicContact CG-CD1 4.33Å; K47-L120 HydrophobicContact CD-CD2 4.41Å; Q50-L120 HydrophobicContact CB-CD2 4.17Å; Q50-L120 HydrophobicContact CG-CD2 3.76Å; I118-L120 HydrophobicContact CG2-CD1 4.49Å; I118-L120 HydrophobicContact CG2-CD2 3.68Å; I118-L120 HydrophobicContact CG2-CG 3.87Å; L120-Y122 HydrophobicContact CB-CD2 4.42Å; L120-Y122 HydrophobicContact CB-CE2 3.53Å; L120-Y122 WeakPolarHBondContact CD1-OH 3.36Å; L120-V126 CarbonylContact O-C 3.59Å; L120-V126 WeakPolarHBondContact O-CA 3.46Å; L120-Q127 HydrophobicContact CB-CB 4.22Å; L120-Q127 PolarHBondContact N-O 2.95Å; L120-Q127 PolarHBondContact O-N 3.44Å; L120-V129 HydrophobicContact CD1-CG2 4.11Å
121	K	84.4	Confident	89.4	Confident	56 Å²	56	19 Å²	19	24%	0.243	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.9	173.1	-159.7	179.3	179.7	-179.6	0	109.9	R48 E49 W178	R48-K121 HydrophobicContact CB-CB 4.32Å; R48-K121 HydrophobicContact CB-CD 4.29Å; R48-K121 HydrophobicContact CB-CG 4.36Å; R48-K121 PolarHBondContact N-O 2.92Å; E49-K121 HydrophobicContact CB-CB 3.86Å; E49-K121 HydrophobicContact CB-CD 3.99Å; E49-K121 HydrophobicContact CG-CD 3.96Å; E49-K121 PolarHBondContact O-N 3.06Å; E49-K121 WeakPolarHBondContact OE1-CD 3.17Å; E49-K121 IonicContact OE1-NZ 3.98Å; E49-K121 PolarHBondContact OE1-NZ 2.78Å; E49-K121 IonicContact OE2-NZ 3.63Å; K121-W178 HydrophobicContact CB-CD2 4.46Å; K121-W178 HydrophobicContact CB-CE3 4.02Å; K121-W178 HydrophobicContact CB-CH2 3.31Å; K121-W178 HydrophobicContact CB-CZ2 3.66Å; K121-W178 HydrophobicContact CB-CZ3 3.45Å; K121-W178 VanDerWaalsContact CB-CZ3 3.45Å; K121-W178 HydrophobicContact CD-CD2 3.63Å; K121-W178 HydrophobicContact CD-CE3 3.54Å; K121-W178 HydrophobicContact CD-CG 4.22Å; K121-W178 HydrophobicContact CD-CH2 4.27Å; K121-W178 HydrophobicContact CD-CZ2 4.19Å; K121-W178 HydrophobicContact CD-CZ3 3.9Å; K121-W178 HydrophobicContact CG-CD2 4.16Å; K121-W178 HydrophobicContact CG-CE3 3.59Å; K121-W178 HydrophobicContact CG-CH2 3.88Å; K121-W178 HydrophobicContact CG-CZ2 4.27Å; K121-W178 HydrophobicContact CG-CZ3 3.45Å; K121-W178 VanDerWaalsContact CG-CZ3 3.45Å
122	Y	83.7	Confident	89.6	Confident	20 Å²	20	18.5 Å²	18.5	8%	0.078	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	169.4	167.7	-56.7	-87	0	0	0	109.5	L42 C44 E46 K47 L120 S124 G125 Q127	L42-Y122 PolarHBondContact O-OH 3.19Å; C44-Y122 HydrophobicContact CB-CD1 4.37Å; C44-Y122 HydrophobicContact CB-CE1 3.9Å; E46-Y122 HydrophobicContact CB-CD1 4.43Å; K47-Y122 HydrophobicContact CB-CD1 4.09Å; K47-Y122 HydrophobicContact CB-CE1 3.84Å; K47-Y122 HydrophobicContact CG-CE1 4.32Å; L120-Y122 HydrophobicContact CB-CD2 4.42Å; L120-Y122 HydrophobicContact CB-CE2 3.53Å; L120-Y122 WeakPolarHBondContact CD1-OH 3.36Å; Y122-S124 PolarHBondContact O-N 3.1Å; Y122-G125 PolarHBondContact N-O 3.2Å; Y122-G125 PolarHBondContact O-N 3.27Å; Y122-Q127 HydrophobicContact CE2-CB 3.85Å; Y122-Q127 PolarHBondContact OH-OE1 2.89Å
123	S	81.8	Confident	89.6	Confident	77 Å²	77	17 Å²	17	54%	0.538	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.5	166.6	24	0	0	0	0	112.5	E46	E46-S123 PolarHBondContact OE2-OG 2.87Å
124	S	79.3	Confident	89.7	Confident	89 Å²	89	17.2 Å²	17.2	62%	0.622	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.4	-177	51.1	0	0	0	0	114.5	Y122	Y122-S124 PolarHBondContact O-N 3.1Å
125	G	78.9	Confident	89.8	Confident	33 Å²	33	16.5 Å²	16.5	34%	0.34	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	148.5	-154.4	-179.1	0	0	0	0	0	113.6	Y122	Y122-G125 PolarHBondContact N-O 3.2Å; Y122-G125 PolarHBondContact O-N 3.27Å
126	V	80.7	Confident	89.7	Confident	20 Å²	20	18.5 Å²	18.5	12%	0.121	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.4	-177.6	-169.8	0	0	0	0	109.1	L120 P152 W178 I182	L120-V126 CarbonylContact O-C 3.59Å; L120-V126 WeakPolarHBondContact O-CA 3.46Å; V126-P152 WeakPolarHBondContact O-CD 3.49Å; V126-W178 HydrophobicContact CB-CZ3 4.3Å; V126-W178 HydrophobicContact CG1-CH2 4.15Å; V126-W178 HydrophobicContact CG1-CZ3 3.81Å; V126-W178 HydrophobicContact CG2-CE3 4.24Å; V126-W178 HydrophobicContact CG2-CZ3 3.64Å; V126-I182 HydrophobicContact CG1-CD1 4.23Å; V126-I182 HydrophobicContact CG2-CD1 3.82Å
127	Q	85.1	Confident	89.6	Confident	30 Å²	30	22.6 Å²	22.6	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.2	166.1	-170.7	175.3	6	0	0	109	L120 Y122 K151	L120-Q127 HydrophobicContact CB-CB 4.22Å; L120-Q127 PolarHBondContact N-O 2.95Å; L120-Q127 PolarHBondContact O-N 3.44Å; Y122-Q127 HydrophobicContact CE2-CB 3.85Å; Y122-Q127 PolarHBondContact OH-OE1 2.89Å; Q127-K151 HydrophobicContact CB-CG 4.36Å; Q127-K151 HydrophobicContact CG-CG 4.39Å
128	V	86.5	Confident	89.5	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.3	175.5	-176.4	0	0	0	0	107.3	M117 L119 I130 A149 F150 P152 L184	M117-V128 HydrophobicContact CG-CG1 4.26Å; M117-V128 HydrophobicContact SD-CG1 4.1Å; L119-V128 HydrophobicContact CD2-CB 4.34Å; L119-V128 HydrophobicContact CD2-CG1 3.99Å; L119-V128 HydrophobicContact CD2-CG2 3.99Å; V128-I130 HydrophobicContact CG1-CD1 4.03Å; V128-I130 HydrophobicContact CG1-CG1 4.3Å; V128-A149 WeakPolarHBondContact O-CA 3.23Å; V128-F150 HydrophobicContact CB-CD2 4.08Å; V128-F150 HydrophobicContact CB-CE1 4.33Å; V128-F150 HydrophobicContact CB-CE2 3.59Å; V128-F150 HydrophobicContact CB-CZ 3.73Å; V128-F150 HydrophobicContact CG1-CE1 4.24Å; V128-F150 HydrophobicContact CG1-CE2 3.91Å; V128-F150 HydrophobicContact CG1-CZ 3.57Å; V128-F150 HydrophobicContact CG2-CE2 4.09Å; V128-F150 PolarHBondContact N-O 3.02Å; V128-F150 PolarHBondContact O-N 2.93Å; V128-P152 HydrophobicContact CG2-CG 3.8Å; V128-L184 HydrophobicContact CG1-CD1 4.19Å; V128-L184 HydrophobicContact CG2-CD1 3.85Å; V128-L184 HydrophobicContact CG2-CD2 3.55Å; V128-L184 HydrophobicContact CG2-CG 4.37Å
129	V	91.9	Very high	89.6	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.7	172.7	-172.5	0	0	0	0	107.9	L42 M117 I118 L120 A148 A149	L42-V129 HydrophobicContact CD1-CG2 4.19Å; L42-V129 HydrophobicContact CD2-CG2 3.94Å; M117-V129 CarbonylContact C-O 3.44Å; M117-V129 WeakPolarHBondContact CA-O 3.07Å; I118-V129 HydrophobicContact CB-CB 4.07Å; I118-V129 HydrophobicContact CB-CG2 4.46Å; I118-V129 PolarHBondContact N-O 2.95Å; I118-V129 PolarHBondContact O-N 2.76Å; L120-V129 HydrophobicContact CD1-CG2 4.11Å; V129-A148 CarbonylContact C-O 3.53Å; V129-A148 VanDerWaalsContact CA-O 3.3Å; V129-A148 WeakPolarHBondContact CA-O 3.41Å; V129-A149 HydrophobicContact CG1-CB 4.45Å; V129-A149 HydrophobicContact CG2-CB 4.05Å
130	I	93.2	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.2	170.8	-56.5	-59	0	0	0	107.6	M117 V128 Q147 A148 F150 F193 V374 V376	M117-I130 HydrophobicContact CB-CD1 3.72Å; M117-I130 HydrophobicContact CG-CD1 3.56Å; M117-I130 HydrophobicContact SD-CD1 3.62Å; V128-I130 HydrophobicContact CG1-CD1 4.03Å; V128-I130 HydrophobicContact CG1-CG1 4.3Å; I130-Q147 CarbonylContact O-C 3.51Å; I130-Q147 VanDerWaalsContact O-CA 3.3Å; I130-Q147 WeakPolarHBondContact O-CA 3.5Å; I130-A148 PolarHBondContact N-O 3.45Å; I130-A148 PolarHBondContact O-N 2.86Å; I130-F150 HydrophobicContact CG1-CE1 4.08Å; I130-F150 HydrophobicContact CG1-CZ 4.24Å; I130-F193 HydrophobicContact CD1-CE2 4.04Å; I130-V374 HydrophobicContact CD1-CB 4.24Å; I130-V374 HydrophobicContact CD1-CG2 4.06Å; I130-V374 HydrophobicContact CG2-CG2 4.4Å; I130-V376 HydrophobicContact CB-CG2 4.42Å; I130-V376 HydrophobicContact CG1-CG1 4.06Å
131	H	97	Very high	90	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	172.3	-176.2	64.6	98.5	0	0	0	112.3	N54 K116 A133 G146 Q147	N54-H131 PolarHBondContact ND2-CE1 2.86Å; K116-H131 WeakPolarHBondContact CB-O 3.49Å; K116-H131 PolarHBondContact O-CD2 2.67Å; K116-H131 PolarHBondContact O-N 3.46Å; H131-A133 PolarHBondContact CE1-O 2.64Å; H131-A133 PolarHBondContact ND1-O 2.85Å; H131-A133 VanDerWaalsContact ND1-O 3.08Å; H131-G146 CarbonylContact C-O 3.52Å; H131-G146 VanDerWaalsContact CA-O 3.25Å; H131-G146 WeakPolarHBondContact CA-O 3.46Å; H131-Q147 HydrophobicContact CB-CB 4.12Å
132	T	97.8	Very high	90.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-106.7	-14.3	-176.5	62.9	0	0	0	0	114.1	K116 Q145 G146 H328 I329 K330 L347 T348	K116-T132 WeakPolarHBondContact CD-O 3.38Å; K116-T132 WeakPolarHBondContact CE-O 3.24Å; T132-Q145 VanDerWaalsContact C-OE1 3.29Å; T132-Q145 VanDerWaalsContact OG1-CA 3.24Å; T132-Q145 WeakPolarHBondContact OG1-CA 3.48Å; T132-Q145 WeakPolarHBondContact OG1-CB 3.38Å; T132-Q145 PolarHBondContact OG1-OE1 2.86Å; T132-G146 PolarHBondContact N-O 3.42Å; T132-G146 VanDerWaalsContact N-O 3.07Å; T132-G146 PolarHBondContact OG1-N 3.41Å; T132-H328 WeakPolarHBondContact CB-O 3.15Å; T132-H328 PolarHBondContact O-CE1 3.12Å; T132-H328 PolarHBondContact O-ND1 2.98Å; T132-H328 VanDerWaalsContact O-ND1 3.09Å; T132-H328 PolarHBondContact OG1-O 3.48Å; T132-I329 HydrophobicContact CG2-CG1 4.38Å; T132-K330 HydrophobicContact CG2-CD 4.4Å; T132-L347 HydrophobicContact CG2-CD1 3.68Å; T132-L347 HydrophobicContact CG2-CG 4.33Å; T132-T348 WeakPolarHBondContact CG2-O 3.04Å
133	A	96.8	Very high	90.7	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	20%	0.197	C	C	.	.	S	Bend	trans	-78.8	146.9	-176.5	0	0	0	0	0	113.7	N54 K116 H131 D139 W140 Q145	N54-A133 PolarHBondContact ND2-O 3.28Å; N54-A133 VanDerWaalsContact ND2-O 3.14Å; K116-A133 VanDerWaalsContact CD-O 3.26Å; K116-A133 WeakPolarHBondContact CD-O 3.44Å; K116-A133 WeakPolarHBondContact CE-O 3.36Å; H131-A133 PolarHBondContact CE1-O 2.64Å; H131-A133 PolarHBondContact ND1-O 2.85Å; H131-A133 VanDerWaalsContact ND1-O 3.08Å; A133-D139 HydrophobicContact CB-CB 4.28Å; A133-W140 HydrophobicContact CB-CZ2 4.35Å; A133-Q145 HydrophobicContact CB-CB 4.42Å; A133-Q145 VanDerWaalsContact CB-CD 3.48Å; A133-Q145 HydrophobicContact CB-CG 3.81Å
134	N	96.6	Very high	91.3	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	17%	0.172	C	C	.	.			trans	-72.3	159.9	159.1	-56.4	-66.6	0	0	0	110.6	N54 M56 K116 I136 D139 W140 H328	N54-N134 VanDerWaalsContact OD1-CA 3.24Å; N54-N134 WeakPolarHBondContact OD1-CA 3.21Å; N54-N134 PolarHBondContact OD1-OD1 2.82Å; M56-N134 HydrophobicContact CB-CB 3.86Å; M56-N134 HydrophobicContact CE-CB 4.06Å; M56-N134 VanDerWaalsContact CE-CG 3.46Å; M56-N134 WeakPolarHBondContact CE-ND2 3.27Å; K116-N134 VanDerWaalsContact CE-OD1 3.23Å; K116-N134 WeakPolarHBondContact CE-OD1 3.38Å; K116-N134 PolarHBondContact NZ-OD1 2.9Å; N134-I136 HydrophobicContact CB-CD1 4.39Å; N134-I136 HydrophobicContact CB-CG1 4.17Å; N134-I136 PolarHBondContact O-N 2.86Å; N134-I136 VanDerWaalsContact O-N 3.09Å; N134-D139 WeakPolarHBondContact CB-OD2 3.15Å; N134-D139 PolarHBondContact N-OD2 3.42Å; N134-D139 PolarHBondContact ND2-OD2 3.49Å; N134-W140 VanDerWaalsContact O-CD1 3.23Å; N134-W140 PolarHBondContact O-NE1 2.87Å; N134-H328 PolarHBondContact ND2-CE1 3.5Å; N134-H328 PolarHBondContact ND2-NE2 3.21Å
135	L	96.2	Very high	92	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-87.3	64.1	177.4	-65.1	176.6	0	0	0	110.4	D52 N54 M56 I57 D58 W61 L62 W140	D52-L135 HydrophobicContact CB-CD1 3.86Å; N54-L135 HydrophobicContact CB-CD1 3.93Å; N54-L135 HydrophobicContact CB-CG 4.03Å; N54-L135 PolarHBondContact OD1-N 2.96Å; M56-L135 PolarHBondContact O-N 3.23Å; I57-L135 WeakPolarHBondContact CA-O 3.42Å; I57-L135 HydrophobicContact CD1-CD1 4.43Å; I57-L135 HydrophobicContact CG1-CB 4.23Å; I57-L135 HydrophobicContact CG1-CD1 4.38Å; I57-L135 HydrophobicContact CG2-CB 4.3Å; D58-L135 PolarHBondContact N-O 3.44Å; W61-L135 VanDerWaalsContact CE3-C 3.44Å; W61-L135 VanDerWaalsContact CE3-O 3.29Å; W61-L135 HydrophobicContact CZ3-CB 3.95Å; W61-L135 HydrophobicContact CZ3-CD2 4.49Å; W61-L135 WeakPolarHBondContact CZ3-O 3.37Å; L62-L135 HydrophobicContact CD1-CB 4.49Å; L62-L135 HydrophobicContact CD1-CD1 4.08Å; L62-L135 HydrophobicContact CD1-CD2 4.38Å; L62-L135 HydrophobicContact CD2-CD1 4.18Å; L135-W140 HydrophobicContact CD2-CZ2 3.97Å
136	I	94.6	Very high	92.8	Very high	42 Å²	42	28.3 Å²	28.3	22%	0.215	14%	0.144	C	C	.	.	S	Bend	trans	-137.7	151.4	176.4	64.1	179.3	0	0	0	109.9	M56 D58 W61 N134 G138 D139	M56-I136 HydrophobicContact CB-CG2 4.31Å; M56-I136 HydrophobicContact CE-CD1 4.17Å; D58-I136 HydrophobicContact CB-CB 4.4Å; D58-I136 HydrophobicContact CB-CG2 3.95Å; W61-I136 VanDerWaalsContact CZ3-N 3.35Å; N134-I136 HydrophobicContact CB-CD1 4.39Å; N134-I136 HydrophobicContact CB-CG1 4.17Å; N134-I136 PolarHBondContact O-N 2.86Å; N134-I136 VanDerWaalsContact O-N 3.09Å; I136-G138 PolarHBondContact O-N 2.68Å; I136-D139 HydrophobicContact CG1-CB 3.86Å; I136-D139 PolarHBondContact O-N 3.35Å; I136-D139 VanDerWaalsContact O-N 3.13Å
137	D	94.2	Very high	93.4	Very high	86 Å²	86	32.2 Å²	32.2	46%	0.46	16%	0.16	S	C	.	.	H	α-helix	trans	-52.9	-51.5	-174.5	-170.4	64	0	0	0	113.7	W61 D139 W140 F141	W61-D137 VanDerWaalsContact CD1-CB 3.44Å; W61-D137 HydrophobicContact CD2-CB 4.39Å; W61-D137 VanDerWaalsContact CE2-CA 3.45Å; W61-D137 HydrophobicContact CG-CB 4.03Å; W61-D137 VanDerWaalsContact NE1-CA 3.28Å; W61-D137 PolarHBondContact NE1-OD1 3.45Å; D137-D139 PolarHBondContact O-N 3.33Å; D137-D139 VanDerWaalsContact O-N 3.08Å; D137-W140 PolarHBondContact O-N 3.11Å; D137-F141 WeakPolarHBondContact O-CB 3.14Å; D137-F141 PolarHBondContact O-N 2.82Å
138	G	92.1	Very high	93.8	Very high	26 Å²	26	31 Å²	31	27%	0.268	16%	0.155	S	C	.	.	H	α-helix	trans	-60.3	-26.3	-176.3	0	0	0	0	0	114	I136 K143	I136-G138 PolarHBondContact O-N 2.68Å; G138-K143 PolarHBondContact O-NZ 2.92Å
139	D	94.5	Very high	94	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-78.3	-26.1	178.4	-87	24.6	0	0	0	113.1	A133 N134 I136 D137 K143 Q145 H328	A133-D139 HydrophobicContact CB-CB 4.28Å; N134-D139 WeakPolarHBondContact CB-OD2 3.15Å; N134-D139 PolarHBondContact N-OD2 3.42Å; N134-D139 PolarHBondContact ND2-OD2 3.49Å; I136-D139 HydrophobicContact CG1-CB 3.86Å; I136-D139 PolarHBondContact O-N 3.35Å; I136-D139 VanDerWaalsContact O-N 3.13Å; D137-D139 PolarHBondContact O-N 3.33Å; D137-D139 VanDerWaalsContact O-N 3.08Å; D139-K143 WeakPolarHBondContact OD1-CD 3.35Å; D139-K143 VanDerWaalsContact OD1-CE 3.31Å; D139-K143 WeakPolarHBondContact OD1-CE 3.22Å; D139-K143 IonicContact OD1-NZ 3.73Å; D139-K143 PolarHBondContact OD1-NZ 2.81Å; D139-Q145 PolarHBondContact O-NE2 3.12Å; D139-H328 IonicContact OD2-CE1 2.91Å; D139-H328 PolarHBondContact OD2-CE1 2.81Å; D139-H328 IonicContact OD2-ND1 3.59Å; D139-H328 IonicContact OD2-NE2 3.65Å
140	W	94	Very high	93.6	Very high	97 Å²	97	34.3 Å²	34.3	37%	0.367	18%	0.179	S	C	.	.	H	α-helix	trans	-96.8	-21.4	-179.7	-71.5	73.9	0	0	0	112.7	W61 A133 N134 L135 D137	W61-W140 HydrophobicContact CH2-CB 4.23Å; W61-W140 AromaticContact CH2-CD1 3.24Å; W61-W140 HydrophobicContact CH2-CD2 4.07Å; W61-W140 AromaticContact CH2-CG 3.59Å; W61-W140 HydrophobicContact CH2-CG 3.59Å; W61-W140 AromaticContact CH2-NE1 3.51Å; W61-W140 HydrophobicContact CZ2-CB 3.84Å; W61-W140 AromaticContact CZ2-CD1 3.71Å; W61-W140 HydrophobicContact CZ2-CD2 4.46Å; W61-W140 AromaticContact CZ2-CG 3.72Å; W61-W140 HydrophobicContact CZ2-CG 3.72Å; A133-W140 HydrophobicContact CB-CZ2 4.35Å; N134-W140 VanDerWaalsContact O-CD1 3.23Å; N134-W140 PolarHBondContact O-NE1 2.87Å; L135-W140 HydrophobicContact CD2-CZ2 3.97Å; D137-W140 PolarHBondContact O-N 3.11Å
141	F	90.8	Very high	92.9	Very high	142 Å²	142	39.7 Å²	39.7	62%	0.623	20%	0.202	S	C	*	.	H	α-helix	trans	-76.2	-56.7	-178.3	-175	-133.8	0	0	0	113.1	D137	D137-F141 WeakPolarHBondContact O-CB 3.14Å; D137-F141 PolarHBondContact O-N 2.82Å
142	Q	88.5	Confident	91.5	Very high	51 Å²	51	40.5 Å²	40.5	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-15.9	-170.7	-70.3	-174.5	18.2	0	0	115.6	L286 E287 R322 A325	Q142-L286 HydrophobicContact CB-CD1 4.39Å; Q142-L286 HydrophobicContact CG-CD1 4.45Å; Q142-E287 HydrophobicContact CB-CG 4.32Å; Q142-R322 PolarHBondContact O-NH2 2.83Å; Q142-A325 WeakPolarHBondContact O-CB 3.47Å
143	K	94.4	Very high	89.9	Confident	19 Å²	19	43.5 Å²	43.5	8%	0.083	22%	0.223	C	C	.	.	S	Bend	trans	-79.7	148.4	-174.9	-60.5	-168.7	-174.3	81.8	0	113.1	G138 D139 E287 C294 R322 H328	G138-K143 PolarHBondContact O-NZ 2.92Å; D139-K143 WeakPolarHBondContact OD1-CD 3.35Å; D139-K143 VanDerWaalsContact OD1-CE 3.31Å; D139-K143 WeakPolarHBondContact OD1-CE 3.22Å; D139-K143 IonicContact OD1-NZ 3.73Å; D139-K143 PolarHBondContact OD1-NZ 2.81Å; K143-E287 IonicContact NZ-OE1 3.67Å; K143-C294 HydrophobicContact CD-CB 3.94Å; K143-C294 VanDerWaalsContact CE-SG 3.56Å; K143-R322 PolarHBondContact O-NH2 2.91Å; K143-H328 HydrophobicContact CB-CB 3.96Å; K143-H328 HydrophobicContact CD-CB 3.96Å
144	T	95.1	Very high	87.9	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.031	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-75.1	125.2	172.9	-57.5	0	0	0	0	110.6	W315 R322 A325 C326 H328 I329	T144-W315 HydrophobicContact CG2-CH2 3.64Å; T144-W315 HydrophobicContact CG2-CZ2 3.67Å; T144-R322 VanDerWaalsContact CA-NH2 3.26Å; T144-R322 HydrophobicContact CG2-CB 4.47Å; T144-R322 VanDerWaalsContact N-NH2 3.2Å; T144-R322 PolarHBondContact OG1-NE 3.42Å; T144-A325 VanDerWaalsContact OG1-CB 3.25Å; T144-A325 WeakPolarHBondContact OG1-CB 3.4Å; T144-A325 PolarHBondContact OG1-O 3.07Å; T144-C326 PolarHBondContact N-O 3.11Å; T144-H328 CarbonylContact O-C 3.59Å; T144-H328 WeakPolarHBondContact O-CA 3.49Å; T144-H328 PolarHBondContact O-N 3.37Å; T144-I329 PolarHBondContact O-N 2.89Å
145	Q	93.4	Very high	85.9	Confident	42 Å²	42	53.4 Å²	53.4	20%	0.196	27%	0.266	C	S	.	.			trans	-136.6	160.6	-175.9	-52.3	-67.5	-1.9	0	0	109.7	T132 A133 D139 H328	T132-Q145 VanDerWaalsContact C-OE1 3.29Å; T132-Q145 VanDerWaalsContact OG1-CA 3.24Å; T132-Q145 WeakPolarHBondContact OG1-CA 3.48Å; T132-Q145 WeakPolarHBondContact OG1-CB 3.38Å; T132-Q145 PolarHBondContact OG1-OE1 2.86Å; A133-Q145 HydrophobicContact CB-CB 4.42Å; A133-Q145 VanDerWaalsContact CB-CD 3.48Å; A133-Q145 HydrophobicContact CB-CG 3.81Å; D139-Q145 PolarHBondContact O-NE2 3.12Å; Q145-H328 VanDerWaalsContact NE2-CB 3.31Å; Q145-H328 PolarHBondContact NE2-ND1 2.79Å; Q145-H328 VanDerWaalsContact NE2-ND1 3.15Å; Q145-H328 PolarHBondContact OE1-ND1 3.09Å; Q145-H328 PolarHBondContact OE1-O 2.92Å
146	G	95.1	Very high	83.7	Confident	16 Å²	16	60.4 Å²	60.4	17%	0.165	29%	0.292	C	S	.	.			trans	-119.1	151.7	165.4	0	0	0	0	0	110.7	H131 T132	H131-G146 CarbonylContact C-O 3.52Å; H131-G146 VanDerWaalsContact CA-O 3.25Å; H131-G146 WeakPolarHBondContact CA-O 3.46Å; T132-G146 PolarHBondContact N-O 3.42Å; T132-G146 VanDerWaalsContact N-O 3.07Å; T132-G146 PolarHBondContact OG1-N 3.41Å
147	Q	94.8	Very high	81.3	Confident	101 Å²	101	63 Å²	63	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.6	169.1	71.7	176.5	22.8	0	0	110.5	I130 H131	I130-Q147 CarbonylContact O-C 3.51Å; I130-Q147 VanDerWaalsContact O-CA 3.3Å; I130-Q147 WeakPolarHBondContact O-CA 3.5Å; H131-Q147 HydrophobicContact CB-CB 4.12Å
148	A	92	Very high	79	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.1	172.1	0	0	0	0	0	107.8	V129 I130 L347 V376 Y378	V129-A148 CarbonylContact C-O 3.53Å; V129-A148 VanDerWaalsContact CA-O 3.3Å; V129-A148 WeakPolarHBondContact CA-O 3.41Å; I130-A148 PolarHBondContact N-O 3.45Å; I130-A148 PolarHBondContact O-N 2.86Å; A148-L347 HydrophobicContact CB-CD2 3.95Å; A148-V376 HydrophobicContact CB-CG2 3.53Å; A148-Y378 WeakPolarHBondContact CB-OH 3.36Å
149	A	90.2	Very high	76.6	Confident	48 Å²	48	73.6 Å²	73.6	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	178.9	0	0	0	0	0	109.9	V128 V129	V128-A149 WeakPolarHBondContact O-CA 3.23Å; V129-A149 HydrophobicContact CG1-CB 4.45Å; V129-A149 HydrophobicContact CG2-CB 4.05Å
150	F	83.7	Confident	73.9	Confident	25 Å²	25	81.2 Å²	81.2	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.1	-176	51.3	-86.9	0	0	0	111.2	V128 I130 V186 C189 V191 V376	V128-F150 HydrophobicContact CB-CD2 4.08Å; V128-F150 HydrophobicContact CB-CE1 4.33Å; V128-F150 HydrophobicContact CB-CE2 3.59Å; V128-F150 HydrophobicContact CB-CZ 3.73Å; V128-F150 HydrophobicContact CG1-CE1 4.24Å; V128-F150 HydrophobicContact CG1-CE2 3.91Å; V128-F150 HydrophobicContact CG1-CZ 3.57Å; V128-F150 HydrophobicContact CG2-CE2 4.09Å; V128-F150 PolarHBondContact N-O 3.02Å; V128-F150 PolarHBondContact O-N 2.93Å; I130-F150 HydrophobicContact CG1-CE1 4.08Å; I130-F150 HydrophobicContact CG1-CZ 4.24Å; F150-V186 HydrophobicContact CE2-CG2 4.38Å; F150-C189 HydrophobicContact CD2-CB 4.25Å; F150-C189 VanDerWaalsContact CD2-SG 3.51Å; F150-V191 HydrophobicContact CD1-CG2 4.46Å; F150-V191 HydrophobicContact CG-CG2 4.47Å; F150-V376 HydrophobicContact CE1-CG1 3.55Å; F150-V376 HydrophobicContact CZ-CG1 3.68Å
151	K	79.7	Confident	71.5	Confident	114 Å²	114	78.3 Å²	78.3	50%	0.496	38%	0.375	S	S	.	.			trans	-102.5	122	174.6	-67.7	179.6	-179.1	175.6	0	109	Q127 I153	Q127-K151 HydrophobicContact CB-CG 4.36Å; Q127-K151 HydrophobicContact CG-CG 4.39Å; K151-I153 PolarHBondContact O-N 2.98Å
152	P	67.6	Low	69.6	Low	19 Å²	19	75.8 Å²	75.8	12%	0.123	38%	0.38	C	S	.	.			trans	-62.4	119.4	171.6	-21.2	34.5	0	0	0	110.8	V126 V128 R154 V155 L184 C189	V126-P152 WeakPolarHBondContact O-CD 3.49Å; V128-P152 HydrophobicContact CG2-CG 3.8Å; P152-R154 VanDerWaalsContact C-N 3.28Å; P152-R154 PolarHBondContact O-N 3.32Å; P152-V155 HydrophobicContact CB-CG2 4.37Å; P152-L184 HydrophobicContact CG-CD2 4.03Å; P152-C189 VanDerWaalsContact CA-SG 3.57Å
153	I	63	Low	68.4	Low	63 Å²	63	74.4 Å²	74.4	32%	0.323	38%	0.375	S	S	.	.	S	Bend	trans	-68	-29.4	176.4	-64.3	-178.1	0	0	0	110.9	K151 Y188	K151-I153 PolarHBondContact O-N 2.98Å; I153-Y188 VanDerWaalsContact CB-O 3.31Å; I153-Y188 WeakPolarHBondContact CB-O 3.48Å; I153-Y188 WeakPolarHBondContact CD1-O 3.08Å; I153-Y188 WeakPolarHBondContact CG1-O 3.46Å; I153-Y188 HydrophobicContact CG2-CG 4.4Å
154	R	55.8	Low	67.1	Low	152 Å²	152	74.4 Å²	74.4	57%	0.574	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.5	167.6	-72.5	-177.8	166	167.1	-6.2	111.8	P152 Y188	P152-R154 VanDerWaalsContact C-N 3.28Å; P152-R154 PolarHBondContact O-N 3.32Å; R154-Y188 HydrophobicContact CB-CD2 3.91Å; R154-Y188 HydrophobicContact CB-CE2 4.44Å; R154-Y188 HydrophobicContact CG-CD2 3.98Å; R154-Y188 HydrophobicContact CG-CE2 4.3Å; R154-Y188 PolarHBondContact NH1-OH 2.83Å
155	V	53.6	Low	65.9	Low	62 Å²	62	74.4 Å²	74.4	38%	0.376	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	168.1	-179	0	0	0	0	107.7	P152 I182	P152-V155 HydrophobicContact CB-CG2 4.37Å; V155-I182 HydrophobicContact CG1-CB 4.32Å; V155-I182 HydrophobicContact CG1-CG1 4.26Å; V155-I182 HydrophobicContact CG1-CG2 4.18Å
156	R	50.2	Low	64.6	Low	151 Å²	151	74 Å²	74	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.4	167.1	-91.5	-176.9	168.2	172.3	-3.8	108.7	D183 V185	R156-D183 VanDerWaalsContact O-O 3.07Å; R156-V185 HydrophobicContact CB-CB 3.97Å; R156-V185 HydrophobicContact CB-CG2 3.62Å; R156-V185 WeakPolarHBondContact O-CG2 3.28Å
157	I	45.5	Very low	63.3	Low	98 Å²	98	74.8 Å²	74.8	50%	0.503	38%	0.383	S	S	.	.			trans	-89.9	111.5	171.8	-46.6	-174	0	0	0	107.4	N181	I157-N181 HydrophobicContact CD1-CB 4.21Å; I157-N181 WeakPolarHBondContact CG1-O 3.47Å
158	F	45.8	Very low	62.3	Low	102 Å²	102	70 Å²	70	45%	0.447	36%	0.361	S	S	.	.			trans	-86.9	113.7	165	-67.4	-78.4	0	0	0	108.7	N160 T163 D183 V185	F158-N160 PolarHBondContact O-N 3.02Å; F158-T163 HydrophobicContact CB-CG2 4.32Å; F158-D183 VanDerWaalsContact CA-OD2 3.24Å; F158-D183 WeakPolarHBondContact CA-OD2 3.43Å; F158-D183 WeakPolarHBondContact CB-OD2 3.3Å; F158-D183 HydrophobicContact CD2-CB 3.91Å; F158-D183 PolarHBondContact N-OD2 3.38Å; F158-D183 VanDerWaalsContact O-OD2 3.05Å; F158-V185 HydrophobicContact CD2-CG2 3.59Å; F158-V185 HydrophobicContact CE2-CB 4.25Å; F158-V185 HydrophobicContact CE2-CG1 3.97Å; F158-V185 HydrophobicContact CE2-CG2 3.2Å; F158-V185 HydrophobicContact CZ-CG1 4.44Å; F158-V185 HydrophobicContact CZ-CG2 4.22Å
159	R	40	Very low	61.2	Low	232 Å²	232	70.3 Å²	70.3	88%	0.875	36%	0.362	S	S	*	.	S	Bend	trans	-65.2	-26.2	177.9	-76.9	-178.1	166	170.8	-3.9	113.5
160	N	38.9	Very low	59.7	Low	163 Å²	163	75 Å²	75	87%	0.872	37%	0.374	S	S	*	.	S	Bend	trans	-137.3	20.1	-166.5	-67.3	-13.1	0	0	0	114.9	F158	F158-N160 PolarHBondContact O-N 3.02Å
161	G	43.1	Very low	58.4	Low	36 Å²	36	76 Å²	76	37%	0.371	39%	0.391	S	S	.	.			trans	-88.6	141.2	-179	0	0	0	0	0	113.1	T163	G161-T163 WeakPolarHBondContact O-CG2 3.5Å; G161-T163 PolarHBondContact O-N 3.45Å
162	A	50.6	Low	57.1	Low	89 Å²	89	76.4 Å²	76.4	74%	0.736	39%	0.393	S	S	*	.			trans	-68.7	79	156.9	0	0	0	0	0	108.1
163	T	63.7	Low	56.3	Low	21 Å²	21	85.8 Å²	85.8	13%	0.129	43%	0.426	C	S	.	.			trans	-85.4	161.1	-173.1	69.1	0	0	0	0	110.8	F158 G161 L165 A166 S167 D183	F158-T163 HydrophobicContact CB-CG2 4.32Å; G161-T163 WeakPolarHBondContact O-CG2 3.5Å; G161-T163 PolarHBondContact O-N 3.45Å; T163-L165 VanDerWaalsContact C-N 3.29Å; T163-L165 PolarHBondContact O-N 3.44Å; T163-A166 PolarHBondContact O-N 2.92Å; T163-A166 WeakPolarHBondContact OG1-CB 3.21Å; T163-A166 PolarHBondContact OG1-N 2.85Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 3.08Å; T163-S167 PolarHBondContact O-OG 2.89Å; T163-D183 WeakPolarHBondContact CB-OD1 3.26Å; T163-D183 HydrophobicContact CG2-CB 4.21Å; T163-D183 WeakPolarHBondContact CG2-OD1 3.34Å; T163-D183 PolarHBondContact OG1-OD1 3.33Å
164	L	67.3	Low	55.8	Low	19 Å²	19	83.6 Å²	83.6	10%	0.099	42%	0.416	C	S	.	.	H	α-helix	trans	-53.4	-49.6	178.1	173.6	66.1	0	0	0	110.6	S167 M168 F193 A195 V197 W209 F372 V374	L164-S167 WeakPolarHBondContact O-CB 3.38Å; L164-S167 PolarHBondContact O-N 3.1Å; L164-M168 HydrophobicContact CD1-CG 3.99Å; L164-M168 HydrophobicContact CD1-SD 3.47Å; L164-M168 WeakPolarHBondContact CD1-SD 3.28Å; L164-M168 HydrophobicContact CD2-SD 3.98Å; L164-M168 HydrophobicContact CG-CG 4.37Å; L164-M168 HydrophobicContact CG-SD 3.48Å; L164-M168 WeakPolarHBondContact CG-SD 3.35Å; L164-M168 VanDerWaalsContact O-CG 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.37Å; L164-M168 PolarHBondContact O-N 2.97Å; L164-F193 HydrophobicContact CD2-CE1 3.32Å; L164-F193 HydrophobicContact CD2-CZ 3.39Å; L164-A195 HydrophobicContact CD1-CB 4.2Å; L164-A195 HydrophobicContact CD2-CB 3.97Å; L164-V197 HydrophobicContact CD1-CG2 3.56Å; L164-W209 HydrophobicContact CB-CH2 4.36Å; L164-W209 HydrophobicContact CB-CZ3 4.37Å; L164-W209 HydrophobicContact CD1-CZ3 4.47Å; L164-F372 HydrophobicContact CD1-CD1 4.35Å; L164-V374 HydrophobicContact CD2-CG1 3.67Å
165	L	70	Confident	55.5	Low	5 Å²	5	84.5 Å²	84.5	3%	0.026	42%	0.424	C	S	.	.	H	α-helix	trans	-66.2	-41.5	-177.2	-72	167	0	0	0	111.9	F53 M117 L119 T163 S167 M168 T169 L179 I182 L184	F53-L165 HydrophobicContact CE1-CD2 4.03Å; F53-L165 HydrophobicContact CE2-CD2 3.98Å; F53-L165 HydrophobicContact CZ-CD2 3.35Å; M117-L165 HydrophobicContact CE-CD2 3.95Å; L119-L165 HydrophobicContact CD1-CD1 4.43Å; L119-L165 HydrophobicContact CD1-CD2 4.08Å; T163-L165 VanDerWaalsContact C-N 3.29Å; T163-L165 PolarHBondContact O-N 3.44Å; L165-S167 VanDerWaalsContact C-N 3.28Å; L165-S167 PolarHBondContact O-N 2.84Å; L165-M168 PolarHBondContact O-N 2.59Å; L165-T169 WeakPolarHBondContact O-CB 3.37Å; L165-T169 WeakPolarHBondContact O-CG2 3.35Å; L165-T169 PolarHBondContact O-N 2.71Å; L165-T169 PolarHBondContact O-OG1 2.92Å; L165-L179 HydrophobicContact CD2-CD2 4.36Å; L165-I182 HydrophobicContact CD1-CG2 4.26Å; L165-I182 WeakPolarHBondContact CD1-O 3.18Å; L165-L184 HydrophobicContact CD1-CD1 4.38Å; L165-L184 HydrophobicContact CD1-CG 4.15Å
166	A	66.8	Low	55.3	Low	35 Å²	35	81.6 Å²	81.6	29%	0.289	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-39.9	173.3	0	0	0	0	0	111.9	T163 T169 F170 G171	T163-A166 PolarHBondContact O-N 2.92Å; T163-A166 WeakPolarHBondContact OG1-CB 3.21Å; T163-A166 PolarHBondContact OG1-N 2.85Å; A166-T169 PolarHBondContact O-N 3.1Å; A166-F170 PolarHBondContact O-N 2.83Å; A166-G171 PolarHBondContact O-N 3.09Å
167	S	67.9	Low	55.1	Low	32 Å²	32	79.9 Å²	79.9	22%	0.224	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-40.7	178.9	-57	0	0	0	0	112.4	P105 T163 L164 L165	P105-S167 WeakPolarHBondContact CG-O 3.27Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 3.08Å; T163-S167 PolarHBondContact O-OG 2.89Å; L164-S167 WeakPolarHBondContact O-CB 3.38Å; L164-S167 PolarHBondContact O-N 3.1Å; L165-S167 VanDerWaalsContact C-N 3.28Å; L165-S167 PolarHBondContact O-N 2.84Å
168	M	73.2	Confident	55.6	Low	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-74.6	-25	179.3	-65.1	168	91.3	0	0	112.9	F53 A104 H113 S115 L164 L165 F372	F53-M168 HydrophobicContact CB-CE 4.27Å; F53-M168 HydrophobicContact CD1-CB 4.45Å; F53-M168 HydrophobicContact CD1-CE 3.49Å; F53-M168 VanDerWaalsContact CD1-CE 3.49Å; F53-M168 HydrophobicContact CD1-SD 4.15Å; F53-M168 HydrophobicContact CE1-CB 4.11Å; F53-M168 HydrophobicContact CE1-CE 4.12Å; F53-M168 HydrophobicContact CE1-SD 4.18Å; F53-M168 HydrophobicContact CG-CE 4.09Å; A104-M168 WeakPolarHBondContact CB-O 3.48Å; H113-M168 WeakPolarHBondContact NE2-CE 3.33Å; S115-M168 WeakPolarHBondContact OG-CE 3.48Å; L164-M168 HydrophobicContact CD1-CG 3.99Å; L164-M168 HydrophobicContact CD1-SD 3.47Å; L164-M168 WeakPolarHBondContact CD1-SD 3.28Å; L164-M168 HydrophobicContact CD2-SD 3.98Å; L164-M168 HydrophobicContact CG-CG 4.37Å; L164-M168 HydrophobicContact CG-SD 3.48Å; L164-M168 WeakPolarHBondContact CG-SD 3.35Å; L164-M168 VanDerWaalsContact O-CG 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.37Å; L164-M168 PolarHBondContact O-N 2.97Å; L165-M168 PolarHBondContact O-N 2.59Å; M168-F372 HydrophobicContact CE-CB 4.48Å; M168-F372 HydrophobicContact CG-CD1 3.56Å; M168-F372 HydrophobicContact CG-CE1 3.65Å; M168-F372 HydrophobicContact CG-CG 4.14Å; M168-F372 HydrophobicContact CG-CZ 4.29Å
169	T	67.8	Low	55.8	Low	10 Å²	10	72 Å²	72	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-104.2	4.4	-174.3	60.1	0	0	0	0	115	V78 L165 A166 G171 K172	V78-T169 HydrophobicContact CG2-CG2 4.46Å; L165-T169 WeakPolarHBondContact O-CB 3.37Å; L165-T169 WeakPolarHBondContact O-CG2 3.35Å; L165-T169 PolarHBondContact O-N 2.71Å; L165-T169 PolarHBondContact O-OG1 2.92Å; A166-T169 PolarHBondContact O-N 3.1Å; T169-G171 PolarHBondContact O-N 2.86Å; T169-K172 WeakPolarHBondContact O-CB 3.44Å; T169-K172 PolarHBondContact O-N 3.41Å; T169-K172 VanDerWaalsContact O-N 3.08Å
170	F	59.9	Low	56	Low	146 Å²	146	64.3 Å²	64.3	64%	0.64	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.2	-176.8	-142.8	-107.6	0	0	0	114.2	P105 A166 K172	P105-F170 HydrophobicContact CB-CD2 3.39Å; P105-F170 HydrophobicContact CB-CE2 3.5Å; P105-F170 HydrophobicContact CG-CD2 3.59Å; P105-F170 HydrophobicContact CG-CE2 4.16Å; A166-F170 PolarHBondContact O-N 2.83Å; F170-K172 PolarHBondContact O-N 2.98Å; F170-K172 VanDerWaalsContact O-N 3.08Å
171	G	55.2	Low	56.3	Low	47 Å²	47	60.6 Å²	60.6	49%	0.485	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	12.8	-172.4	0	0	0	0	0	114.4	A166 T169 R173	A166-G171 PolarHBondContact O-N 3.09Å; T169-G171 PolarHBondContact O-N 2.86Å; G171-R173 PolarHBondContact O-N 2.98Å
172	K	53.8	Low	56.6	Low	122 Å²	122	59.3 Å²	59.3	53%	0.53	31%	0.311	S	S	.	.			trans	-62.5	122.8	175.7	-78.5	-175.6	176.3	176.8	0	108.9	T169 F170 S174	T169-K172 WeakPolarHBondContact O-CB 3.44Å; T169-K172 PolarHBondContact O-N 3.41Å; T169-K172 VanDerWaalsContact O-N 3.08Å; F170-K172 PolarHBondContact O-N 2.98Å; F170-K172 VanDerWaalsContact O-N 3.08Å; K172-S174 PolarHBondContact O-N 2.78Å
173	R	50.1	Low	56.6	Low	216 Å²	216	55.6 Å²	55.6	82%	0.815	28%	0.279	S	S	*	.			trans	-64.6	88.4	162.3	-71	-168.4	161.9	131	-2.3	108.1	G171 L180	G171-R173 PolarHBondContact O-N 2.98Å; R173-L180 HydrophobicContact CB-CD1 4.46Å; R173-L180 HydrophobicContact CG-CD1 3.78Å
174	S	52.4	Low	55.8	Low	17 Å²	17	56 Å²	56	12%	0.119	28%	0.28	C	S	.	.			trans	-65	162.1	167	70.5	0	0	0	0	109.4	K172 C176	K172-S174 PolarHBondContact O-N 2.78Å; S174-C176 PolarHBondContact O-N 3.02Å; S174-C176 WeakPolarHBondContact OG-CA 3.46Å; S174-C176 VanDerWaalsContact OG-CB 3.27Å; S174-C176 WeakPolarHBondContact OG-CB 3.42Å; S174-C176 PolarHBondContact OG-N 3.37Å; S174-C176 PolarHBondContact OG-O 3.03Å
175	K	50.5	Low	54.7	Low	171 Å²	171	56.1 Å²	56.1	74%	0.743	28%	0.282	S	S	*	.	S	Bend	trans	-65.2	-14.7	168.7	-54	-175.7	-177.3	171.8	0	111.6	L177	K175-L177 PolarHBondContact O-N 2.91Å
176	C	49.3	Very low	53.5	Low	2 Å²	2	56.9 Å²	56.9	1%	0.014	29%	0.286	C	S	.	.			trans	-73.6	65.1	165.2	-63.2	0	0	0	0	109.5	S174 W178 L179	S174-C176 PolarHBondContact O-N 3.02Å; S174-C176 WeakPolarHBondContact OG-CA 3.46Å; S174-C176 VanDerWaalsContact OG-CB 3.27Å; S174-C176 WeakPolarHBondContact OG-CB 3.42Å; S174-C176 PolarHBondContact OG-N 3.37Å; S174-C176 PolarHBondContact OG-O 3.03Å; C176-W178 PolarHBondContact O-N 3.09Å; C176-L179 HydrophobicContact CB-CD1 4.07Å; C176-L179 HydrophobicContact CB-CG 4.37Å; C176-L179 PolarHBondContact O-N 3.35Å
177	L	44.6	Very low	52.2	Low	114 Å²	114	60 Å²	60	60%	0.597	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-52.3	-25.8	-176.7	-76.8	161.4	0	0	0	113.9	K175 L179 L180	K175-L177 PolarHBondContact O-N 2.91Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.82Å; L177-L180 PolarHBondContact O-N 2.82Å
178	W	55.8	Low	51.4	Low	22 Å²	22	63.6 Å²	63.6	8%	0.083	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-68.7	-21.4	178.8	68.5	-53.6	0	0	0	114.2	E49 V51 L119 K121 V126 C176 L180 N181 I182	E49-W178 HydrophobicContact CB-CZ2 4.14Å; E49-W178 PolarHBondContact OE2-NE1 2.84Å; V51-W178 HydrophobicContact CG2-CZ2 4.14Å; L119-W178 HydrophobicContact CB-CH2 4.38Å; K121-W178 HydrophobicContact CB-CD2 4.46Å; K121-W178 HydrophobicContact CB-CE3 4.02Å; K121-W178 HydrophobicContact CB-CH2 3.31Å; K121-W178 HydrophobicContact CB-CZ2 3.66Å; K121-W178 HydrophobicContact CB-CZ3 3.45Å; K121-W178 VanDerWaalsContact CB-CZ3 3.45Å; K121-W178 HydrophobicContact CD-CD2 3.63Å; K121-W178 HydrophobicContact CD-CE3 3.54Å; K121-W178 HydrophobicContact CD-CG 4.22Å; K121-W178 HydrophobicContact CD-CH2 4.27Å; K121-W178 HydrophobicContact CD-CZ2 4.19Å; K121-W178 HydrophobicContact CD-CZ3 3.9Å; K121-W178 HydrophobicContact CG-CD2 4.16Å; K121-W178 HydrophobicContact CG-CE3 3.59Å; K121-W178 HydrophobicContact CG-CH2 3.88Å; K121-W178 HydrophobicContact CG-CZ2 4.27Å; K121-W178 HydrophobicContact CG-CZ3 3.45Å; K121-W178 VanDerWaalsContact CG-CZ3 3.45Å; V126-W178 HydrophobicContact CB-CZ3 4.3Å; V126-W178 HydrophobicContact CG1-CH2 4.15Å; V126-W178 HydrophobicContact CG1-CZ3 3.81Å; V126-W178 HydrophobicContact CG2-CE3 4.24Å; V126-W178 HydrophobicContact CG2-CZ3 3.64Å; C176-W178 PolarHBondContact O-N 3.09Å; W178-L180 PolarHBondContact O-N 2.83Å; W178-N181 CarbonylContact O-C 3.58Å; W178-N181 PolarHBondContact O-N 2.92Å; W178-I182 HydrophobicContact CD2-CD1 3.81Å; W178-I182 HydrophobicContact CE3-CD1 3.08Å; W178-I182 HydrophobicContact CE3-CG1 4.27Å; W178-I182 HydrophobicContact CH2-CD1 4.12Å; W178-I182 HydrophobicContact CZ3-CD1 3.25Å; W178-I182 WeakPolarHBondContact O-CG1 3.17Å; W178-I182 PolarHBondContact O-N 3.18Å
179	L	50.5	Low	50.7	Low	12 Å²	12	64.6 Å²	64.6	6%	0.063	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.4	-25.3	175.3	-80.3	173.5	0	0	0	113.8	V51 L76 L119 L165 C176 L177 N181	V51-L179 HydrophobicContact CG1-CD1 4.2Å; V51-L179 HydrophobicContact CG1-CD2 4.45Å; V51-L179 HydrophobicContact CG2-CD1 3.91Å; V51-L179 HydrophobicContact CG2-CD2 3.97Å; V51-L179 HydrophobicContact CG2-CG 4.1Å; L76-L179 HydrophobicContact CD2-CD1 3.24Å; L119-L179 HydrophobicContact CD1-CD2 3.82Å; L165-L179 HydrophobicContact CD2-CD2 4.36Å; C176-L179 HydrophobicContact CB-CD1 4.07Å; C176-L179 HydrophobicContact CB-CG 4.37Å; C176-L179 PolarHBondContact O-N 3.35Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.82Å; L179-N181 VanDerWaalsContact C-N 3.29Å
180	L	45.3	Very low	51.2	Low	71 Å²	71	67 Å²	67	37%	0.372	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-79	-16.8	174.8	-65.2	161.6	0	0	0	112.6	R173 L177 W178	R173-L180 HydrophobicContact CB-CD1 4.46Å; R173-L180 HydrophobicContact CG-CD1 3.78Å; L177-L180 PolarHBondContact O-N 2.82Å; W178-L180 PolarHBondContact O-N 2.83Å
181	N	45	Very low	52.5	Low	86 Å²	86	60.4 Å²	60.4	46%	0.46	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-21.6	179.8	-66.7	-32.9	0	0	0	112.1	I157 W178 L179 D183	I157-N181 HydrophobicContact CD1-CB 4.21Å; I157-N181 WeakPolarHBondContact CG1-O 3.47Å; W178-N181 CarbonylContact O-C 3.58Å; W178-N181 PolarHBondContact O-N 2.92Å; L179-N181 VanDerWaalsContact C-N 3.29Å; N181-D183 PolarHBondContact O-N 2.91Å
182	I	49.4	Very low	54	Low	9 Å²	9	60.7 Å²	60.7	5%	0.046	28%	0.276	C	S	.	.			trans	-88.6	89.2	169.1	-58.3	171.7	0	0	0	106.2	V126 V155 L165 W178 L184	V126-I182 HydrophobicContact CG1-CD1 4.23Å; V126-I182 HydrophobicContact CG2-CD1 3.82Å; V155-I182 HydrophobicContact CG1-CB 4.32Å; V155-I182 HydrophobicContact CG1-CG1 4.26Å; V155-I182 HydrophobicContact CG1-CG2 4.18Å; L165-I182 HydrophobicContact CD1-CG2 4.26Å; L165-I182 WeakPolarHBondContact CD1-O 3.18Å; W178-I182 HydrophobicContact CD2-CD1 3.81Å; W178-I182 HydrophobicContact CE3-CD1 3.08Å; W178-I182 HydrophobicContact CE3-CG1 4.27Å; W178-I182 HydrophobicContact CH2-CD1 4.12Å; W178-I182 HydrophobicContact CZ3-CD1 3.25Å; W178-I182 WeakPolarHBondContact O-CG1 3.17Å; W178-I182 PolarHBondContact O-N 3.18Å; I182-L184 HydrophobicContact CG2-CB 4.41Å; I182-L184 HydrophobicContact CG2-CD2 3.45Å; I182-L184 VanDerWaalsContact CG2-CD2 3.45Å; I182-L184 HydrophobicContact CG2-CG 3.53Å; I182-L184 PolarHBondContact O-N 2.8Å
183	D	50.7	Low	55.7	Low	10 Å²	10	56.4 Å²	56.4	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.6	141.4	-63.3	-51.3	0	0	0	104.7	R156 F158 T163 N181 V185	R156-D183 VanDerWaalsContact O-O 3.07Å; F158-D183 VanDerWaalsContact CA-OD2 3.24Å; F158-D183 WeakPolarHBondContact CA-OD2 3.43Å; F158-D183 WeakPolarHBondContact CB-OD2 3.3Å; F158-D183 HydrophobicContact CD2-CB 3.91Å; F158-D183 PolarHBondContact N-OD2 3.38Å; F158-D183 VanDerWaalsContact O-OD2 3.05Å; T163-D183 WeakPolarHBondContact CB-OD1 3.26Å; T163-D183 HydrophobicContact CG2-CB 4.21Å; T163-D183 WeakPolarHBondContact CG2-OD1 3.34Å; T163-D183 PolarHBondContact OG1-OD1 3.33Å; N181-D183 PolarHBondContact O-N 2.91Å; D183-V185 HydrophobicContact CB-CG2 3.89Å; D183-V185 PolarHBondContact O-N 3.08Å
184	L	46.3	Very low	57.7	Low	30 Å²	30	46.2 Å²	46.2	16%	0.157	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	79.7	169.6	-75.4	176.1	0	0	0	107.3	M117 L119 V128 P152 L165 I182 V186	M117-L184 HydrophobicContact SD-CD1 4.08Å; L119-L184 HydrophobicContact CD1-CD1 4.42Å; L119-L184 HydrophobicContact CD2-CD1 3.6Å; V128-L184 HydrophobicContact CG1-CD1 4.19Å; V128-L184 HydrophobicContact CG2-CD1 3.85Å; V128-L184 HydrophobicContact CG2-CD2 3.55Å; V128-L184 HydrophobicContact CG2-CG 4.37Å; P152-L184 HydrophobicContact CG-CD2 4.03Å; L165-L184 HydrophobicContact CD1-CD1 4.38Å; L165-L184 HydrophobicContact CD1-CG 4.15Å; I182-L184 HydrophobicContact CG2-CB 4.41Å; I182-L184 HydrophobicContact CG2-CD2 3.45Å; I182-L184 VanDerWaalsContact CG2-CD2 3.45Å; I182-L184 HydrophobicContact CG2-CG 3.53Å; I182-L184 PolarHBondContact O-N 2.8Å; L184-V186 PolarHBondContact O-N 2.76Å
185	V	43.6	Very low	59.7	Low	22 Å²	22	45.6 Å²	45.6	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	99.2	162.1	-150.7	0	0	0	0	104	R156 F158 D183 F187	R156-V185 HydrophobicContact CB-CB 3.97Å; R156-V185 HydrophobicContact CB-CG2 3.62Å; R156-V185 WeakPolarHBondContact O-CG2 3.28Å; F158-V185 HydrophobicContact CD2-CG2 3.59Å; F158-V185 HydrophobicContact CE2-CB 4.25Å; F158-V185 HydrophobicContact CE2-CG1 3.97Å; F158-V185 HydrophobicContact CE2-CG2 3.2Å; F158-V185 HydrophobicContact CZ-CG1 4.44Å; F158-V185 HydrophobicContact CZ-CG2 4.22Å; D183-V185 HydrophobicContact CB-CG2 3.89Å; D183-V185 PolarHBondContact O-N 3.08Å; V185-F187 HydrophobicContact CB-CD2 3.98Å; V185-F187 HydrophobicContact CB-CE2 4.35Å; V185-F187 HydrophobicContact CG1-CD2 3.16Å; V185-F187 HydrophobicContact CG1-CE2 3.12Å; V185-F187 HydrophobicContact CG1-CG 4.29Å; V185-F187 HydrophobicContact CG1-CZ 4.21Å; V185-F187 PolarHBondContact O-N 3.02Å
186	V	44.6	Very low	61.8	Low	20 Å²	20	37.5 Å²	37.5	12%	0.121	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	79.1	169.4	-176.8	0	0	0	0	107	F150 L184 C189 V191 F193	F150-V186 HydrophobicContact CE2-CG2 4.38Å; L184-V186 PolarHBondContact O-N 2.76Å; V186-C189 HydrophobicContact CG1-CB 3.6Å; V186-V191 HydrophobicContact CG1-CG2 4.39Å; V186-V191 WeakPolarHBondContact CG1-O 3.39Å; V186-F193 HydrophobicContact CB-CB 4.22Å; V186-F193 HydrophobicContact CG2-CB 3.82Å; V186-F193 HydrophobicContact CG2-CG 4.39Å
187	F	41	Very low	63.9	Low	102 Å²	102	38 Å²	38	45%	0.447	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.3	156.7	-73.1	-64.3	0	0	0	104.6	V185	V185-F187 HydrophobicContact CB-CD2 3.98Å; V185-F187 HydrophobicContact CB-CE2 4.35Å; V185-F187 HydrophobicContact CG1-CD2 3.16Å; V185-F187 HydrophobicContact CG1-CE2 3.12Å; V185-F187 HydrophobicContact CG1-CG 4.29Å; V185-F187 HydrophobicContact CG1-CZ 4.21Å; V185-F187 PolarHBondContact O-N 3.02Å
188	Y	50.8	Low	66.4	Low	107 Å²	107	33.2 Å²	33.2	42%	0.42	16%	0.159	S	C	.	.	S	Bend	trans	82.1	19.4	-179.4	-48.9	-86.1	0	0	0	117.4	M19 I153 R154	M19-Y188 HydrophobicContact SD-CD1 4.32Å; M19-Y188 HydrophobicContact SD-CE1 4.3Å; I153-Y188 VanDerWaalsContact CB-O 3.31Å; I153-Y188 WeakPolarHBondContact CB-O 3.48Å; I153-Y188 WeakPolarHBondContact CD1-O 3.08Å; I153-Y188 WeakPolarHBondContact CG1-O 3.46Å; I153-Y188 HydrophobicContact CG2-CG 4.4Å; R154-Y188 HydrophobicContact CB-CD2 3.91Å; R154-Y188 HydrophobicContact CB-CE2 4.44Å; R154-Y188 HydrophobicContact CG-CD2 3.98Å; R154-Y188 HydrophobicContact CG-CE2 4.3Å; R154-Y188 PolarHBondContact NH1-OH 2.83Å
189	C	58.2	Low	68.2	Low	21 Å²	21	32.9 Å²	32.9	14%	0.142	16%	0.162	C	C	.	.	S	Bend	trans	-91.5	154.6	151.5	-56.9	0	0	0	0	108.5	F150 P152 V186 V191	F150-C189 HydrophobicContact CD2-CB 4.25Å; F150-C189 VanDerWaalsContact CD2-SG 3.51Å; P152-C189 VanDerWaalsContact CA-SG 3.57Å; V186-C189 HydrophobicContact CG1-CB 3.6Å; C189-V191 HydrophobicContact CB-CG2 3.74Å; C189-V191 PolarHBondContact O-N 2.69Å
190	R	77.5	Confident	70.4	Confident	60 Å²	60	38.7 Å²	38.7	23%	0.226	18%	0.183	C	C	.	.	S	Bend	trans	-66.1	21.8	170.1	-57.1	-173.5	-170.9	-171.2	-2	113.4	L23 E26 C382 F383	L23-R190 PolarHBondContact O-NH2 3.4Å; E26-R190 IonicContact OE2-NE 2.85Å; R190-C382 VanDerWaalsContact C-CB 3.5Å; R190-C382 HydrophobicContact CB-CB 4.12Å; R190-C382 WeakPolarHBondContact CB-O 3.42Å; R190-C382 VanDerWaalsContact CG-O 3.3Å; R190-C382 WeakPolarHBondContact CG-O 3.4Å; R190-C382 WeakPolarHBondContact O-CB 3.4Å; R190-F383 HydrophobicContact CB-CD1 4.22Å; R190-F383 HydrophobicContact CB-CD2 4.44Å; R190-F383 HydrophobicContact CB-CE1 3.7Å; R190-F383 HydrophobicContact CB-CE2 3.96Å; R190-F383 HydrophobicContact CB-CZ 3.54Å; R190-F383 HydrophobicContact CG-CD1 4.49Å; R190-F383 HydrophobicContact CG-CE1 4.26Å; R190-F383 WeakPolarHBondContact O-CE2 3.3Å; R190-F383 WeakPolarHBondContact O-CZ 3.42Å
191	V	87	Confident	72.8	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.048	17%	0.171	C	C	.	.	S	Bend	trans	-144.1	156.4	-174.7	-60.5	0	0	0	0	111.4	F150 V186 C189 V376 L377 Y378	F150-V191 HydrophobicContact CD1-CG2 4.46Å; F150-V191 HydrophobicContact CG-CG2 4.47Å; V186-V191 HydrophobicContact CG1-CG2 4.39Å; V186-V191 WeakPolarHBondContact CG1-O 3.39Å; C189-V191 HydrophobicContact CB-CG2 3.74Å; C189-V191 PolarHBondContact O-N 2.69Å; V191-V376 HydrophobicContact CB-CB 4.43Å; V191-V376 HydrophobicContact CG2-CB 4.44Å; V191-V376 HydrophobicContact CG2-CG1 4.12Å; V191-L377 WeakPolarHBondContact CA-O 3.16Å; V191-Y378 HydrophobicContact CG1-CD1 3.46Å; V191-Y378 VanDerWaalsContact CG1-CD1 3.46Å; V191-Y378 HydrophobicContact CG1-CD2 4.4Å; V191-Y378 HydrophobicContact CG1-CE1 3.28Å; V191-Y378 HydrophobicContact CG1-CE2 4.27Å; V191-Y378 HydrophobicContact CG1-CG 4.02Å
192	Y	88.6	Confident	75.3	Confident	52 Å²	52	37.7 Å²	37.7	20%	0.204	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.6	172.3	-65	-89.6	0	0	0	111.3	L217 H221 V376 L377 L379 H381 C382	Y192-L217 HydrophobicContact CD1-CD2 3.63Å; Y192-L217 HydrophobicContact CE1-CD2 4.26Å; Y192-L217 HydrophobicContact CG-CD2 4.07Å; Y192-H221 AromaticContact CE1-CD2 3.62Å; Y192-H221 AromaticContact CE1-NE2 3.86Å; Y192-H221 HydrophobicContact CE2-CB 4.29Å; Y192-H221 AromaticContact CZ-CD2 3.75Å; Y192-H221 AromaticContact CZ-CG 3.76Å; Y192-V376 CarbonylContact O-C 3.56Å; Y192-V376 WeakPolarHBondContact O-CA 3.36Å; Y192-L377 PolarHBondContact N-O 2.87Å; Y192-L377 PolarHBondContact O-N 3.37Å; Y192-L379 HydrophobicContact CD2-CD1 3.84Å; Y192-L379 HydrophobicContact CD2-CG 4.2Å; Y192-L379 HydrophobicContact CE2-CB 4.46Å; Y192-L379 HydrophobicContact CE2-CD1 3.64Å; Y192-L379 HydrophobicContact CE2-CG 4.22Å; Y192-H381 AromaticContact CE2-CE1 3.82Å; Y192-H381 AromaticContact CE2-NE2 3.71Å; Y192-H381 AromaticContact CZ-NE2 3.81Å; Y192-H381 PolarHBondContact OH-NE2 2.76Å; Y192-C382 WeakPolarHBondContact CE2-SG 3.16Å
193	F	88.1	Confident	77.4	Confident	33 Å²	33	40 Å²	40	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.4	177.5	-168.2	-104.9	0	0	0	111.9	I130 L164 V186 A195 V374 G375 V376	I130-F193 HydrophobicContact CD1-CE2 4.04Å; L164-F193 HydrophobicContact CD2-CE1 3.32Å; L164-F193 HydrophobicContact CD2-CZ 3.39Å; V186-F193 HydrophobicContact CB-CB 4.22Å; V186-F193 HydrophobicContact CG2-CB 3.82Å; V186-F193 HydrophobicContact CG2-CG 4.39Å; F193-A195 HydrophobicContact CD1-CB 4.15Å; F193-A195 HydrophobicContact CE1-CB 3.51Å; F193-A195 HydrophobicContact CZ-CB 4.16Å; F193-V374 HydrophobicContact CE2-CB 4.17Å; F193-V374 HydrophobicContact CE2-CG1 4.38Å; F193-V374 HydrophobicContact CZ-CB 3.9Å; F193-V374 HydrophobicContact CZ-CG1 3.65Å; F193-G375 WeakPolarHBondContact CD2-O 3.44Å; F193-V376 HydrophobicContact CD2-CG1 4.46Å
194	V	92.5	Very high	79.3	Confident	2 Å²	2	48 Å²	48	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.3	178.2	-175.9	0	0	0	0	108.1	K213 L214 L217 L346 W357 V374 G375 L377	V194-K213 HydrophobicContact CG1-CB 4.49Å; V194-K213 HydrophobicContact CG1-CG 4.34Å; V194-L214 HydrophobicContact CG1-CB 4.34Å; V194-L214 HydrophobicContact CG2-CD1 4.5Å; V194-L217 HydrophobicContact CG2-CD1 3.7Å; V194-L346 HydrophobicContact CB-CD1 4.2Å; V194-L346 HydrophobicContact CG2-CD1 4.09Å; V194-W357 HydrophobicContact CG1-CZ3 4.28Å; V194-V374 CarbonylContact O-C 3.57Å; V194-G375 PolarHBondContact N-O 3.37Å; V194-G375 WeakPolarHBondContact O-CA 2.96Å; V194-G375 PolarHBondContact O-N 3.24Å; V194-L377 HydrophobicContact CG2-CB 3.94Å
195	A	94	Very high	81.3	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.1	-179	0	0	0	0	0	112	L164 F193 W209 G210 E373 V374	L164-A195 HydrophobicContact CD1-CB 4.2Å; L164-A195 HydrophobicContact CD2-CB 3.97Å; F193-A195 HydrophobicContact CD1-CB 4.15Å; F193-A195 HydrophobicContact CE1-CB 3.51Å; F193-A195 HydrophobicContact CZ-CB 4.16Å; A195-W209 HydrophobicContact CB-CE3 4.21Å; A195-W209 HydrophobicContact CB-CZ3 4.1Å; A195-W209 CarbonylContact O-C 3.53Å; A195-W209 VanDerWaalsContact O-CA 3.3Å; A195-W209 WeakPolarHBondContact O-CA 3.46Å; A195-G210 PolarHBondContact O-N 3.47Å; A195-E373 CarbonylContact C-O 3.56Å; A195-E373 WeakPolarHBondContact CA-O 3.14Å; A195-E373 VanDerWaalsContact CB-O 3.3Å; A195-E373 WeakPolarHBondContact CB-O 3.47Å; A195-V374 HydrophobicContact CB-CG1 4.46Å
196	S	95.8	Very high	83.7	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	170.9	-64.7	0	0	0	0	108.8	G210 A356 S371 F372 E373	S196-G210 WeakPolarHBondContact OG-CA 3.39Å; S196-A356 WeakPolarHBondContact CB-O 2.96Å; S196-A356 PolarHBondContact OG-O 3.03Å; S196-S371 WeakPolarHBondContact CB-O 2.98Å; S196-F372 VanDerWaalsContact O-CA 3.26Å; S196-F372 WeakPolarHBondContact O-CA 3.43Å; S196-E373 PolarHBondContact N-O 3.04Å; S196-E373 PolarHBondContact O-N 3.2Å; S196-E373 VanDerWaalsContact O-N 3.09Å
197	V	93.6	Very high	86	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.258	C	S	.	.			trans	-126	129.1	175.9	172.2	0	0	0	0	107.7	L164 G199 H201 W209 I369 F372	L164-V197 HydrophobicContact CD1-CG2 3.56Å; V197-G199 PolarHBondContact O-N 3.44Å; V197-H201 PolarHBondContact O-NE2 2.65Å; V197-W209 HydrophobicContact CB-CD2 3.98Å; V197-W209 HydrophobicContact CB-CE3 4.09Å; V197-W209 HydrophobicContact CB-CG 4.44Å; V197-W209 HydrophobicContact CB-CZ3 4.4Å; V197-W209 HydrophobicContact CG2-CD2 3.91Å; V197-W209 HydrophobicContact CG2-CE3 3.54Å; V197-W209 HydrophobicContact CG2-CH2 3.72Å; V197-W209 HydrophobicContact CG2-CZ2 4.07Å; V197-W209 HydrophobicContact CG2-CZ3 3.44Å; V197-W209 VanDerWaalsContact CG2-CZ3 3.44Å; V197-I369 WeakPolarHBondContact O-CB 3.13Å; V197-I369 WeakPolarHBondContact O-CG2 3.49Å; V197-F372 HydrophobicContact CB-CD1 4.5Å; V197-F372 HydrophobicContact CB-CE1 4.29Å; V197-F372 HydrophobicContact CG1-CE1 3.86Å; V197-F372 HydrophobicContact CG2-CD1 4.21Å; V197-F372 HydrophobicContact CG2-CE1 4.12Å
198	P	95.1	Very high	88.4	Confident	15 Å²	15	49.7 Å²	49.7	10%	0.097	25%	0.252	C	S	.	.	S	Bend	trans	-55.4	130.6	176.8	-23.6	32.6	0	0	0	111.6	P107 I108 I369 R370 F372	P107-P198 HydrophobicContact CG-CB 4.5Å; I108-P198 HydrophobicContact CD1-CB 3.91Å; P198-I369 CarbonylContact C-O 3.58Å; P198-I369 WeakPolarHBondContact CA-O 3.48Å; P198-R370 WeakPolarHBondContact CB-O 3.34Å; P198-R370 WeakPolarHBondContact CG-O 3.47Å; P198-F372 VanDerWaalsContact CD-CD1 3.42Å; P198-F372 VanDerWaalsContact CD-CZ 3.49Å; P198-F372 HydrophobicContact CG-CD1 4.38Å; P198-F372 HydrophobicContact CG-CD2 3.69Å; P198-F372 HydrophobicContact CG-CE1 4.36Å; P198-F372 HydrophobicContact CG-CE2 3.67Å; P198-F372 HydrophobicContact CG-CG 4.08Å; P198-F372 HydrophobicContact CG-CZ 4.01Å
199	G	95.3	Very high	90.5	Very high	15 Å²	15	46.4 Å²	46.4	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	167.2	-179.1	0	0	0	0	0	113.7	V197 F368 I369	V197-G199 PolarHBondContact O-N 3.44Å; G199-F368 WeakPolarHBondContact O-CD2 3.45Å; G199-I369 PolarHBondContact N-O 2.92Å; G199-I369 PolarHBondContact O-N 3.08Å
200	R	96.6	Very high	92.3	Very high	133 Å²	133	45.4 Å²	45.4	50%	0.502	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	91.5	169.5	-75	-166.3	164.8	91.2	3.4	108.5	E361 Q366 F368	R200-E361 IonicContact CZ-OE2 2.66Å; R200-E361 IonicContact NE-OE2 3.72Å; R200-E361 PolarHBondContact NE-OE2 3.04Å; R200-E361 IonicContact NH2-OE1 2.76Å; R200-E361 IonicContact NH2-OE2 3.63Å; R200-Q366 HydrophobicContact CB-CG 4.08Å; R200-Q366 VanDerWaalsContact CB-NE2 3.33Å; R200-F368 HydrophobicContact CG-CB 4.43Å; R200-F368 HydrophobicContact CG-CD2 3.64Å; R200-F368 HydrophobicContact CG-CE2 4.13Å; R200-F368 HydrophobicContact CG-CG 4.2Å
201	H	95.7	Very high	93.3	Very high	25 Å²	25	42.6 Å²	42.6	12%	0.116	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.5	-175	-53.2	-73.5	0	0	0	110.2	V197 N205 M206 W209 Q366 I367	V197-H201 PolarHBondContact O-NE2 2.65Å; H201-N205 HydrophobicContact CB-CB 4.43Å; H201-M206 VanDerWaalsContact O-CG 3.28Å; H201-M206 WeakPolarHBondContact O-CG 3.46Å; H201-W209 AromaticContact CD2-CD1 3.66Å; H201-W209 AromaticContact CE1-CD1 3.35Å; H201-W209 AromaticContact CE1-NE1 3.56Å; H201-W209 AromaticContact CG-CD1 3.56Å; H201-W209 AromaticContact ND1-CD1 3.4Å; H201-W209 AromaticContact ND1-NE1 3.63Å; H201-W209 AromaticContact NE2-CD1 3.52Å; H201-W209 AromaticContact NE2-CG 3.98Å; H201-Q366 CarbonylContact O-C 3.52Å; H201-Q366 VanDerWaalsContact O-CA 3.26Å; H201-Q366 WeakPolarHBondContact O-CA 3.43Å; H201-Q366 VanDerWaalsContact O-CG 3.23Å; H201-Q366 WeakPolarHBondContact O-CG 3.35Å; H201-I367 HydrophobicContact CB-CG2 3.86Å; H201-I367 PolarHBondContact N-O 3Å; H201-I367 PolarHBondContact O-N 2.67Å
202	Q	96.3	Very high	93.8	Very high	112 Å²	112	42.4 Å²	42.4	52%	0.523	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160	-175.8	-64.2	177.3	33.9	0	0	110.4	N205 Q366	Q202-N205 WeakPolarHBondContact O-CB 3.45Å; Q202-N205 PolarHBondContact O-N 3.02Å; Q202-Q366 HydrophobicContact CG-CB 4.03Å; Q202-Q366 HydrophobicContact CG-CG 3.69Å
203	G	94.2	Very high	94.1	Very high	56 Å²	56	42 Å²	42	58%	0.577	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	58.5	-140.5	179.2	0	0	0	0	0	112.2	N205 M206	G203-N205 PolarHBondContact O-N 3.42Å; G203-N205 VanDerWaalsContact O-N 3.14Å; G203-M206 WeakPolarHBondContact O-CB 3.46Å; G203-M206 WeakPolarHBondContact O-CG 3.15Å; G203-M206 PolarHBondContact O-N 2.85Å; G203-M206 VanDerWaalsContact O-N 3.08Å
204	E	90	Very high	94.5	Very high	179 Å²	179	40.5 Å²	40.5	84%	0.836	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-59.3	-27.3	-179.6	-63.1	-177.9	174	0	0	113.2	M206 A207	E204-M206 PolarHBondContact O-N 2.9Å; E204-A207 PolarHBondContact O-N 3.19Å
205	N	89.5	Confident	94.7	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-67.8	-16.7	178.6	-75.6	-33.5	0	0	0	113.8	H201 Q202 G203 A207 N208	H201-N205 HydrophobicContact CB-CB 4.43Å; Q202-N205 WeakPolarHBondContact O-CB 3.45Å; Q202-N205 PolarHBondContact O-N 3.02Å; G203-N205 PolarHBondContact O-N 3.42Å; G203-N205 VanDerWaalsContact O-N 3.14Å; N205-A207 VanDerWaalsContact C-N 3.26Å; N205-A207 PolarHBondContact O-N 3.04Å; N205-N208 WeakPolarHBondContact O-CB 3.44Å; N205-N208 PolarHBondContact O-N 3.02Å; N205-N208 PolarHBondContact OD1-ND2 2.82Å
206	M	93.3	Very high	94.8	Very high	27 Å²	27	43.1 Å²	43.1	13%	0.133	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.2	-38.3	175.5	-68.6	-178.3	60.3	0	0	111.9	H201 G203 E204 N208 A212 Y360 A364 Q366 I367	H201-M206 VanDerWaalsContact O-CG 3.28Å; H201-M206 WeakPolarHBondContact O-CG 3.46Å; G203-M206 WeakPolarHBondContact O-CB 3.46Å; G203-M206 WeakPolarHBondContact O-CG 3.15Å; G203-M206 PolarHBondContact O-N 2.85Å; G203-M206 VanDerWaalsContact O-N 3.08Å; E204-M206 PolarHBondContact O-N 2.9Å; M206-N208 PolarHBondContact O-N 2.77Å; M206-A212 WeakPolarHBondContact O-CB 3.35Å; M206-Y360 HydrophobicContact CE-CD1 3.75Å; M206-Y360 HydrophobicContact CE-CE1 3.67Å; M206-A364 WeakPolarHBondContact CE-O 3.29Å; M206-Q366 VanDerWaalsContact CE-C 3.49Å; M206-I367 HydrophobicContact CB-CG2 4.13Å; M206-I367 HydrophobicContact CE-CB 4.26Å; M206-I367 HydrophobicContact CG-CG2 4.14Å
207	A	92.4	Very high	94.7	Very high	29 Å²	29	43.4 Å²	43.4	24%	0.24	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-79	2.9	-179.1	0	0	0	0	0	113.6	E204 N205 K213 N216	E204-A207 PolarHBondContact O-N 3.19Å; N205-A207 VanDerWaalsContact C-N 3.26Å; N205-A207 PolarHBondContact O-N 3.04Å; A207-K213 VanDerWaalsContact O-CA 3.3Å; A207-K213 WeakPolarHBondContact O-CA 3.18Å; A207-K213 VanDerWaalsContact O-CD 3.22Å; A207-K213 WeakPolarHBondContact O-CD 3.36Å; A207-N216 HydrophobicContact CB-CB 4.07Å
208	N	91	Very high	94.8	Very high	63 Å²	63	42.9 Å²	42.9	34%	0.337	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-92.8	-17.2	-178.3	-72.4	-26.5	0	0	0	113.5	N205 M206	N205-N208 WeakPolarHBondContact O-CB 3.44Å; N205-N208 PolarHBondContact O-N 3.02Å; N205-N208 PolarHBondContact OD1-ND2 2.82Å; M206-N208 PolarHBondContact O-N 2.77Å
209	W	95	Very high	94.7	Very high	39 Å²	39	48.3 Å²	48.3	15%	0.148	24%	0.243	C	C	.	.	S	Bend	trans	-136.2	155.8	-170.5	-47.9	110.9	0	0	0	114	L164 A195 V197 H201 K213 I369	L164-W209 HydrophobicContact CB-CH2 4.36Å; L164-W209 HydrophobicContact CB-CZ3 4.37Å; L164-W209 HydrophobicContact CD1-CZ3 4.47Å; A195-W209 HydrophobicContact CB-CE3 4.21Å; A195-W209 HydrophobicContact CB-CZ3 4.1Å; A195-W209 CarbonylContact O-C 3.53Å; A195-W209 VanDerWaalsContact O-CA 3.3Å; A195-W209 WeakPolarHBondContact O-CA 3.46Å; V197-W209 HydrophobicContact CB-CD2 3.98Å; V197-W209 HydrophobicContact CB-CE3 4.09Å; V197-W209 HydrophobicContact CB-CG 4.44Å; V197-W209 HydrophobicContact CB-CZ3 4.4Å; V197-W209 HydrophobicContact CG2-CD2 3.91Å; V197-W209 HydrophobicContact CG2-CE3 3.54Å; V197-W209 HydrophobicContact CG2-CH2 3.72Å; V197-W209 HydrophobicContact CG2-CZ2 4.07Å; V197-W209 HydrophobicContact CG2-CZ3 3.44Å; V197-W209 VanDerWaalsContact CG2-CZ3 3.44Å; H201-W209 AromaticContact CD2-CD1 3.66Å; H201-W209 AromaticContact CE1-CD1 3.35Å; H201-W209 AromaticContact CE1-NE1 3.56Å; H201-W209 AromaticContact CG-CD1 3.56Å; H201-W209 AromaticContact ND1-CD1 3.4Å; H201-W209 AromaticContact ND1-NE1 3.63Å; H201-W209 AromaticContact NE2-CD1 3.52Å; H201-W209 AromaticContact NE2-CG 3.98Å; W209-K213 PolarHBondContact O-N 3.24Å; W209-K213 VanDerWaalsContact O-N 3.1Å; W209-I369 HydrophobicContact CB-CD1 3.45Å; W209-I369 VanDerWaalsContact CB-CD1 3.45Å
210	G	97.1	Very high	94.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	60.5	-146.8	171	0	0	0	0	0	114	A195 S196 A212 K213 L214 W357	A195-G210 PolarHBondContact O-N 3.47Å; S196-G210 WeakPolarHBondContact OG-CA 3.39Å; G210-A212 PolarHBondContact O-N 2.88Å; G210-K213 WeakPolarHBondContact O-CB 3.44Å; G210-K213 PolarHBondContact O-N 2.98Å; G210-L214 PolarHBondContact O-N 3.41Å; G210-W357 CarbonylContact C-O 3.5Å; G210-W357 VanDerWaalsContact CA-O 3.25Å; G210-W357 WeakPolarHBondContact CA-O 3.19Å
211	H	98.3	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-25.8	-177.2	67.6	79.9	0	0	0	111.8	L214 Q215 F254 S257 L258 W357 G358 Y360	H211-L214 PolarHBondContact O-N 2.74Å; H211-Q215 WeakPolarHBondContact O-CB 3.36Å; H211-Q215 PolarHBondContact O-N 2.88Å; H211-F254 HydrophobicContact CB-CD2 3.88Å; H211-F254 HydrophobicContact CB-CE2 4.15Å; H211-S257 PolarHBondContact ND1-OG 3.38Å; H211-L258 HydrophobicContact CB-CD1 4.02Å; H211-W357 HydrophobicContact CB-CB 4.36Å; H211-W357 HydrophobicContact CB-CE3 3.99Å; H211-W357 PolarHBondContact CD2-O 2.78Å; H211-W357 PolarHBondContact N-O 3.3Å; H211-G358 PolarHBondContact CD2-O 2.89Å; H211-G358 PolarHBondContact NE2-O 3.1Å; H211-Y360 AromaticContact CE1-CE2 3.59Å; H211-Y360 AromaticContact CE1-CZ 3.57Å
212	A	97.2	Very high	94.3	Very high	4 Å²	4	50 Å²	50	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-69.5	-31.7	175.1	0	0	0	0	0	112.5	M206 G210 N216 I367	M206-A212 WeakPolarHBondContact O-CB 3.35Å; G210-A212 PolarHBondContact O-N 2.88Å; A212-N216 WeakPolarHBondContact O-CB 3.47Å; A212-N216 PolarHBondContact O-N 2.85Å; A212-I367 HydrophobicContact CB-CD1 3.85Å
213	K	95.7	Very high	94.2	Very high	45 Å²	45	49.9 Å²	49.9	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-49	169.3	179.5	57.6	174.3	-177	0	111.6	V194 A207 W209 G210 N216 L217	V194-K213 HydrophobicContact CG1-CB 4.49Å; V194-K213 HydrophobicContact CG1-CG 4.34Å; A207-K213 VanDerWaalsContact O-CA 3.3Å; A207-K213 WeakPolarHBondContact O-CA 3.18Å; A207-K213 VanDerWaalsContact O-CD 3.22Å; A207-K213 WeakPolarHBondContact O-CD 3.36Å; W209-K213 PolarHBondContact O-N 3.24Å; W209-K213 VanDerWaalsContact O-N 3.1Å; G210-K213 WeakPolarHBondContact O-CB 3.44Å; G210-K213 PolarHBondContact O-N 2.98Å; K213-N216 PolarHBondContact O-N 2.88Å; K213-L217 HydrophobicContact CD-CD1 4.33Å; K213-L217 HydrophobicContact CD-CG 4.35Å; K213-L217 HydrophobicContact CG-CD1 4.2Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.4Å
214	L	96.9	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-45.7	178.9	-179.3	54.2	0	0	0	111	V194 G210 H211 N216 L217 L218 L258 L346 W357 L377	V194-L214 HydrophobicContact CG1-CB 4.34Å; V194-L214 HydrophobicContact CG2-CD1 4.5Å; G210-L214 PolarHBondContact O-N 3.41Å; H211-L214 PolarHBondContact O-N 2.74Å; L214-N216 VanDerWaalsContact C-N 3.31Å; L214-N216 PolarHBondContact O-N 2.86Å; L214-L217 PolarHBondContact O-N 3.36Å; L214-L218 HydrophobicContact CD1-CD1 4.02Å; L214-L218 HydrophobicContact CD1-CD2 4.33Å; L214-L218 HydrophobicContact CD1-CG 3.94Å; L214-L218 HydrophobicContact CG-CD1 4.02Å; L214-L218 HydrophobicContact CG-CG 4.37Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 3.38Å; L214-L258 HydrophobicContact CD2-CD1 3.83Å; L214-L258 HydrophobicContact CD2-CD2 3.91Å; L214-L258 HydrophobicContact CD2-CG 3.55Å; L214-L258 HydrophobicContact CG-CD1 4.45Å; L214-L258 HydrophobicContact CG-CG 4.27Å; L214-L346 HydrophobicContact CD1-CD2 4.34Å; L214-L346 HydrophobicContact CD2-CD2 3.53Å; L214-W357 HydrophobicContact CD2-CH2 4.33Å; L214-W357 HydrophobicContact CD2-CZ3 4.31Å; L214-L377 HydrophobicContact CD1-CD1 3.92Å; L214-L377 HydrophobicContact CD1-CD2 3.84Å; L214-L377 HydrophobicContact CD1-CG 4.36Å
215	Q	96.2	Very high	94.2	Very high	46 Å²	46	46.5 Å²	46.5	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-51.6	-49.4	173	-171.4	-173.3	30.7	0	0	112.1	H211 L217 L218 R219 S257 Q260 Y360	H211-Q215 WeakPolarHBondContact O-CB 3.36Å; H211-Q215 PolarHBondContact O-N 2.88Å; Q215-L217 PolarHBondContact O-N 2.62Å; Q215-L218 PolarHBondContact O-N 2.84Å; Q215-R219 VanDerWaalsContact O-CB 3.29Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 PolarHBondContact O-N 3.5Å; Q215-S257 VanDerWaalsContact CA-O 3.29Å; Q215-S257 WeakPolarHBondContact CA-O 2.96Å; Q215-S257 WeakPolarHBondContact CB-O 3.44Å; Q215-S257 WeakPolarHBondContact CG-O 3.47Å; Q215-Q260 HydrophobicContact CG-CG 3.54Å; Q215-Y360 PolarHBondContact OE1-OH 3.24Å
216	N	94.8	Very high	94.4	Very high	14 Å²	14	42.5 Å²	42.5	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-41.7	-179	-173.7	-97.3	0	0	0	112.3	A207 A212 K213 L214 R220	A207-N216 HydrophobicContact CB-CB 4.07Å; A212-N216 WeakPolarHBondContact O-CB 3.47Å; A212-N216 PolarHBondContact O-N 2.85Å; K213-N216 PolarHBondContact O-N 2.88Å; L214-N216 VanDerWaalsContact C-N 3.31Å; L214-N216 PolarHBondContact O-N 2.86Å; N216-R220 WeakPolarHBondContact O-CB 3.2Å; N216-R220 VanDerWaalsContact O-CG 3.3Å; N216-R220 WeakPolarHBondContact O-CG 3.25Å; N216-R220 PolarHBondContact O-N 2.77Å; N216-R220 WeakPolarHBondContact OD1-CD 3.23Å; N216-R220 PolarHBondContact OD1-NH1 2.87Å
217	L	93.9	Very high	94.1	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-48	178	-70.5	171.6	0	0	0	111.6	Y192 V194 K213 L214 Q215 R220 H221 L377	Y192-L217 HydrophobicContact CD1-CD2 3.63Å; Y192-L217 HydrophobicContact CE1-CD2 4.26Å; Y192-L217 HydrophobicContact CG-CD2 4.07Å; V194-L217 HydrophobicContact CG2-CD1 3.7Å; K213-L217 HydrophobicContact CD-CD1 4.33Å; K213-L217 HydrophobicContact CD-CG 4.35Å; K213-L217 HydrophobicContact CG-CD1 4.2Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 3.36Å; Q215-L217 PolarHBondContact O-N 2.62Å; L217-R220 PolarHBondContact O-N 2.81Å; L217-H221 WeakPolarHBondContact O-CB 3.13Å; L217-H221 PolarHBondContact O-N 3.12Å; L217-L377 HydrophobicContact CB-CD2 3.85Å; L217-L377 HydrophobicContact CD1-CD2 4Å
218	L	95.4	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-47.4	179.1	-65.2	175.6	0	0	0	111.2	L214 Q215 R220 H221 L222 L258 Q260 S262 W344 L377 L379	L214-L218 HydrophobicContact CD1-CD1 4.02Å; L214-L218 HydrophobicContact CD1-CD2 4.33Å; L214-L218 HydrophobicContact CD1-CG 3.94Å; L214-L218 HydrophobicContact CG-CD1 4.02Å; L214-L218 HydrophobicContact CG-CG 4.37Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 3.38Å; Q215-L218 PolarHBondContact O-N 2.84Å; L218-R220 PolarHBondContact O-N 3.27Å; L218-R220 VanDerWaalsContact O-N 3.17Å; L218-H221 PolarHBondContact O-N 3.21Å; L218-L222 HydrophobicContact CB-CB 4.42Å; L218-L222 HydrophobicContact CD2-CB 4.23Å; L218-L222 HydrophobicContact CD2-CD2 4.3Å; L218-L222 VanDerWaalsContact O-CB 3.25Å; L218-L222 WeakPolarHBondContact O-CB 3.08Å; L218-L222 PolarHBondContact O-N 2.88Å; L218-L258 WeakPolarHBondContact CD1-O 3.26Å; L218-Q260 HydrophobicContact CB-CB 4.16Å; L218-Q260 WeakPolarHBondContact CB-O 3.3Å; L218-S262 PolarHBondContact O-N 3.29Å; L218-W344 HydrophobicContact CD1-CZ2 4.03Å; L218-W344 HydrophobicContact CD2-CB 4.36Å; L218-W344 HydrophobicContact CD2-CD2 3.93Å; L218-W344 HydrophobicContact CD2-CG 3.75Å; L218-L377 HydrophobicContact CD2-CD1 4.31Å; L218-L377 HydrophobicContact CD2-CD2 4.23Å; L218-L379 HydrophobicContact CD2-CD2 4.1Å
219	R	94	Very high	93.8	Very high	129 Å²	129	45.8 Å²	45.8	49%	0.487	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-24.7	177.8	-169.4	-179.2	66.8	168.3	0.5	113.9	Q215 Q260 S262	Q215-R219 VanDerWaalsContact O-CB 3.29Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 PolarHBondContact O-N 3.5Å; R219-Q260 HydrophobicContact CB-CB 4.19Å; R219-S262 VanDerWaalsContact O-CA 3.31Å; R219-S262 WeakPolarHBondContact O-CA 3.46Å
220	R	92.5	Very high	93.8	Very high	150 Å²	150	45 Å²	45	57%	0.566	21%	0.212	S	C	*	.	H	α-helix	trans	-97.2	-30.6	-178.8	-75.1	178.6	169.2	174.3	-7.7	113.3	N216 L217 L218	N216-R220 WeakPolarHBondContact O-CB 3.2Å; N216-R220 VanDerWaalsContact O-CG 3.3Å; N216-R220 WeakPolarHBondContact O-CG 3.25Å; N216-R220 PolarHBondContact O-N 2.77Å; N216-R220 WeakPolarHBondContact OD1-CD 3.23Å; N216-R220 PolarHBondContact OD1-NH1 2.87Å; L217-R220 PolarHBondContact O-N 2.81Å; L218-R220 PolarHBondContact O-N 3.27Å; L218-R220 VanDerWaalsContact O-N 3.17Å
221	H	92.7	Very high	93.7	Very high	59 Å²	59	45.2 Å²	45.2	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-130	-17.5	-162.7	-56.8	-57.4	0	0	0	114.2	Y192 L217 L218 K223 L379 H381	Y192-H221 AromaticContact CE1-CD2 3.62Å; Y192-H221 AromaticContact CE1-NE2 3.86Å; Y192-H221 HydrophobicContact CE2-CB 4.29Å; Y192-H221 AromaticContact CZ-CD2 3.75Å; Y192-H221 AromaticContact CZ-CG 3.76Å; L217-H221 WeakPolarHBondContact O-CB 3.13Å; L217-H221 PolarHBondContact O-N 3.12Å; L218-H221 PolarHBondContact O-N 3.21Å; H221-K223 PolarHBondContact O-N 2.88Å; H221-L379 HydrophobicContact CB-CD1 3.63Å; H221-H381 PolarHBondContact O-CE1 2.77Å; H221-H381 PolarHBondContact O-ND1 2.96Å; H221-H381 VanDerWaalsContact O-ND1 3.07Å
222	L	94.4	Very high	93.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.213	C	C	.	.			trans	-75.1	101.3	174.6	178.9	66.9	0	0	0	109.4	L218 V224 V226 A261 S262 A343 W344 L379	L218-L222 HydrophobicContact CB-CB 4.42Å; L218-L222 HydrophobicContact CD2-CB 4.23Å; L218-L222 HydrophobicContact CD2-CD2 4.3Å; L218-L222 VanDerWaalsContact O-CB 3.25Å; L218-L222 WeakPolarHBondContact O-CB 3.08Å; L218-L222 PolarHBondContact O-N 2.88Å; L222-V224 HydrophobicContact CD1-CB 3.98Å; L222-V224 HydrophobicContact CD1-CG2 4.16Å; L222-V226 HydrophobicContact CD2-CG2 4.46Å; L222-A261 HydrophobicContact CD2-CB 3.89Å; L222-A261 HydrophobicContact CG-CB 4.38Å; L222-S262 WeakPolarHBondContact O-CA 3.23Å; L222-S262 WeakPolarHBondContact O-CB 3.35Å; L222-S262 PolarHBondContact O-N 3.41Å; L222-A343 HydrophobicContact CD1-CB 4.36Å; L222-A343 VanDerWaalsContact CD1-O 3.26Å; L222-A343 WeakPolarHBondContact CD1-O 3.29Å; L222-W344 HydrophobicContact CD1-CB 4.22Å; L222-W344 HydrophobicContact CD1-CG 4.47Å; L222-W344 VanDerWaalsContact CD2-CD1 3.49Å; L222-L379 HydrophobicContact CB-CD2 4.49Å; L222-L379 HydrophobicContact CD1-CD2 4.01Å
223	K	93.7	Very high	93.7	Very high	109 Å²	109	45.5 Å²	45.5	47%	0.474	21%	0.214	S	C	.	.			trans	-88.3	-17.7	179.4	-64.3	174.9	176.5	-177.9	0	114.4	H221 E225 H381 D386	H221-K223 PolarHBondContact O-N 2.88Å; K223-E225 PolarHBondContact O-N 3.43Å; K223-H381 HydrophobicContact CD-CB 4.17Å; K223-D386 HydrophobicContact CB-CB 4.44Å; K223-D386 HydrophobicContact CD-CB 4.25Å; K223-D386 WeakPolarHBondContact CD-OD1 3.44Å; K223-D386 WeakPolarHBondContact CD-OD2 3.34Å; K223-D386 IonicContact NZ-OD1 2.83Å; K223-D386 PolarHBondContact NZ-OD1 3.25Å; K223-D386 IonicContact NZ-OD2 3.32Å; K223-D386 PolarHBondContact NZ-OD2 3.43Å
224	V	94.2	Very high	93.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	21%	0.205	C	C	.	.	S	Bend	trans	-58.2	127.3	175.7	177.3	0	0	0	0	108.9	L222 V226 W230 A343 P380 P388	L222-V224 HydrophobicContact CD1-CB 3.98Å; L222-V224 HydrophobicContact CD1-CG2 4.16Å; V224-V226 HydrophobicContact CG1-CG1 4.1Å; V224-V226 PolarHBondContact O-N 3.36Å; V224-W230 HydrophobicContact CG1-CH2 4.39Å; V224-A343 HydrophobicContact CB-CB 4.11Å; V224-A343 HydrophobicContact CG1-CB 3.74Å; V224-P380 HydrophobicContact CG2-CB 4.43Å; V224-P380 HydrophobicContact CG2-CG 3.82Å; V224-P388 HydrophobicContact CG1-CB 3.88Å; V224-P388 HydrophobicContact CG1-CG 4.2Å; V224-P388 HydrophobicContact CG2-CB 4.48Å
225	E	90.9	Very high	93.9	Very high	159 Å²	159	45.2 Å²	45.2	74%	0.743	21%	0.214	S	C	*	.			trans	-69	119.4	172.4	-64.6	-168.9	163.8	0	0	110	K223 Q264	K223-E225 PolarHBondContact O-N 3.43Å; E225-Q264 VanDerWaalsContact CA-NE2 3.34Å
226	V	92.1	Very high	94	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	20%	0.204	C	C	.	.			trans	-122.8	149.2	176.4	-63.5	0	0	0	0	109.3	L222 V224 W230 A261 Q264 R334 A343	L222-V226 HydrophobicContact CD2-CG2 4.46Å; V224-V226 HydrophobicContact CG1-CG1 4.1Å; V224-V226 PolarHBondContact O-N 3.36Å; V226-W230 HydrophobicContact CB-CD2 4.32Å; V226-W230 HydrophobicContact CB-CG 4.29Å; V226-W230 HydrophobicContact CG1-CD2 4.04Å; V226-W230 HydrophobicContact CG1-CE3 3.92Å; V226-W230 HydrophobicContact CG1-CG 4.49Å; V226-W230 HydrophobicContact CG1-CZ3 4.35Å; V226-A261 HydrophobicContact CG2-CB 3.61Å; V226-Q264 PolarHBondContact O-OE1 3.14Å; V226-R334 HydrophobicContact CG1-CG 4.29Å; V226-A343 HydrophobicContact CG1-CB 3.53Å
227	D	87.9	Confident	94.1	Very high	77 Å²	77	42.5 Å²	42.5	41%	0.412	20%	0.201	S	C	.	.			trans	-125.6	-174.2	173.8	67.2	61.7	0	0	0	110.6	S229 W230 R334	D227-S229 VanDerWaalsContact C-N 3.26Å; D227-S229 PolarHBondContact O-N 2.76Å; D227-S229 WeakPolarHBondContact OD1-CA 3.46Å; D227-S229 WeakPolarHBondContact OD1-CB 3.13Å; D227-S229 PolarHBondContact OD1-N 3.3Å; D227-S229 PolarHBondContact OD1-OG 3.24Å; D227-W230 WeakPolarHBondContact O-CB 3.42Å; D227-W230 PolarHBondContact O-N 2.95Å; D227-R334 PolarHBondContact O-NH2 3.48Å
228	S	86	Confident	94.3	Very high	63 Å²	63	43.4 Å²	43.4	44%	0.441	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.7	-177.7	54	0	0	0	0	114.4	W230	S228-W230 VanDerWaalsContact C-N 3.26Å; S228-W230 PolarHBondContact O-N 3.39Å
229	S	90.9	Very high	94.5	Very high	47 Å²	47	43.6 Å²	43.6	33%	0.329	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.3	176.2	72.4	0	0	0	0	112.5	D227 P231	D227-S229 VanDerWaalsContact C-N 3.26Å; D227-S229 PolarHBondContact O-N 2.76Å; D227-S229 WeakPolarHBondContact OD1-CA 3.46Å; D227-S229 WeakPolarHBondContact OD1-CB 3.13Å; D227-S229 PolarHBondContact OD1-N 3.3Å; D227-S229 PolarHBondContact OD1-OG 3.24Å; S229-P231 WeakPolarHBondContact O-CD 3.49Å
230	W	95.1	Very high	94.6	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.087	19%	0.194	C	C	.	.	S	Bend	trans	-69.2	118.2	177.2	-69.1	58.8	0	0	0	108.3	V224 V226 D227 S228 R334 C335 N336 K341 A343 P388	V224-W230 HydrophobicContact CG1-CH2 4.39Å; V226-W230 HydrophobicContact CB-CD2 4.32Å; V226-W230 HydrophobicContact CB-CG 4.29Å; V226-W230 HydrophobicContact CG1-CD2 4.04Å; V226-W230 HydrophobicContact CG1-CE3 3.92Å; V226-W230 HydrophobicContact CG1-CG 4.49Å; V226-W230 HydrophobicContact CG1-CZ3 4.35Å; D227-W230 WeakPolarHBondContact O-CB 3.42Å; D227-W230 PolarHBondContact O-N 2.95Å; S228-W230 VanDerWaalsContact C-N 3.26Å; S228-W230 PolarHBondContact O-N 3.39Å; W230-R334 HydrophobicContact CE3-CG 4.46Å; W230-R334 PolarHBondContact O-NH1 3.37Å; W230-R334 PolarHBondContact O-NH2 2.81Å; W230-C335 CarbonylContact C-O 3.57Å; W230-C335 WeakPolarHBondContact CA-O 3.3Å; W230-C335 WeakPolarHBondContact CB-O 3.26Å; W230-N336 HydrophobicContact CD2-CB 3.79Å; W230-N336 HydrophobicContact CE3-CB 4Å; W230-N336 VanDerWaalsContact CE3-N 3.26Å; W230-N336 HydrophobicContact CG-CB 4.39Å; W230-N336 HydrophobicContact CH2-CB 3.97Å; W230-N336 HydrophobicContact CZ2-CB 3.77Å; W230-N336 HydrophobicContact CZ3-CB 4.07Å; W230-K341 HydrophobicContact CH2-CB 3.94Å; W230-K341 HydrophobicContact CZ3-CB 4.32Å; W230-A343 HydrophobicContact CE3-CB 4Å; W230-A343 HydrophobicContact CZ3-CB 3.71Å; W230-P388 HydrophobicContact CH2-CB 4.04Å; W230-P388 HydrophobicContact CH2-CG 4.19Å; W230-P388 HydrophobicContact CZ3-CB 4.44Å
231	P	95.6	Very high	94.8	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.032	19%	0.192	C	C	.	.			trans	-76.1	152	175.5	28.4	-36	0	0	0	112.3	S229 V233 T271 K273 R334 C335 F339	S229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-V233 HydrophobicContact CG-CG2 4.46Å; P231-T271 CarbonylContact C-O 3.54Å; P231-T271 WeakPolarHBondContact CA-O 3.48Å; P231-K273 HydrophobicContact CB-CD 4.2Å; P231-K273 HydrophobicContact CB-CG 4.21Å; P231-K273 HydrophobicContact CG-CD 4.48Å; P231-R334 PolarHBondContact O-NH1 2.91Å; P231-C335 WeakPolarHBondContact CD-O 3.3Å; P231-C335 PolarHBondContact O-N 2.8Å; P231-F339 HydrophobicContact CG-CE1 4.02Å; P231-F339 HydrophobicContact CG-CZ 4Å
232	L	97.6	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.3	163.2	173.4	63.5	0	0	0	107.5	L258 P270 T271 V272 K273 W344	L232-L258 HydrophobicContact CD1-CB 3.99Å; L232-L258 HydrophobicContact CD1-CD2 4.01Å; L232-L258 HydrophobicContact CD2-CB 3.71Å; L232-L258 HydrophobicContact CD2-CD2 4.08Å; L232-P270 HydrophobicContact CB-CG 4.05Å; L232-T271 PolarHBondContact N-O 2.85Å; L232-V272 HydrophobicContact CD2-CG2 4.4Å; L232-V272 WeakPolarHBondContact O-CA 3.2Å; L232-K273 PolarHBondContact O-N 3.08Å; L232-W344 HydrophobicContact CD1-CH2 3.69Å; L232-W344 HydrophobicContact CD1-CZ2 3.8Å
233	V	97.6	Very high	95.2	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.7	178.5	-176	0	0	0	0	109.2	P231 K273 I275 Y332 L333 F339	P231-V233 HydrophobicContact CG-CG2 4.46Å; V233-K273 WeakPolarHBondContact CA-O 3.35Å; V233-K273 HydrophobicContact CG2-CB 4.3Å; V233-I275 HydrophobicContact CG1-CD1 3.55Å; V233-I275 HydrophobicContact CG1-CG1 4.23Å; V233-Y332 WeakPolarHBondContact O-CA 3.26Å; V233-L333 HydrophobicContact CB-CD1 3.62Å; V233-L333 HydrophobicContact CB-CG 3.94Å; V233-L333 HydrophobicContact CG1-CD1 4.43Å; V233-L333 HydrophobicContact CG2-CD1 3.88Å; V233-L333 PolarHBondContact N-O 3.47Å; V233-L333 PolarHBondContact O-N 3.4Å; V233-F339 HydrophobicContact CG2-CE1 4.07Å
234	C	98.6	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.3	-176.6	-55.6	0	0	0	0	109.7	F236 K273 L274 I275 Y332	C234-F236 HydrophobicContact CB-CD1 4.07Å; C234-F236 HydrophobicContact CB-CE1 3.67Å; C234-K273 PolarHBondContact N-O 3.08Å; C234-L274 HydrophobicContact CB-CD2 3.77Å; C234-I275 PolarHBondContact O-N 3.21Å; C234-Y332 HydrophobicContact CB-CD1 3.77Å; C234-Y332 HydrophobicContact CB-CE1 3.88Å
235	Q	97.9	Very high	95.4	Very high	38 Å²	38	33.3 Å²	33.3	18%	0.178	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.2	171.8	-56.7	178.7	2.5	0	0	108.9	I275 I329 K330 S331	Q235-I275 HydrophobicContact CG-CB 3.96Å; Q235-I275 HydrophobicContact CG-CD1 3.75Å; Q235-I275 HydrophobicContact CG-CG1 4.34Å; Q235-I275 HydrophobicContact CG-CG2 4.34Å; Q235-I329 HydrophobicContact CB-CG2 4.24Å; Q235-K330 CarbonylContact O-C 3.57Å; Q235-K330 VanDerWaalsContact O-CA 3.23Å; Q235-K330 WeakPolarHBondContact O-CA 3.46Å; Q235-S331 WeakPolarHBondContact CB-OG 3.3Å; Q235-S331 PolarHBondContact N-O 2.91Å; Q235-S331 PolarHBondContact O-N 3.32Å; Q235-S331 VanDerWaalsContact O-O 3.12Å; Q235-S331 PolarHBondContact OE1-OG 3.37Å
236	F	98.4	Very high	95.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	17%	0.174	C	C	.	.			trans	-161.3	163.7	178.5	41.1	-94.7	0	0	0	109.6	C234 S238 I239 L274 Y276 I329 K330 Y332 L352	C234-F236 HydrophobicContact CB-CD1 4.07Å; C234-F236 HydrophobicContact CB-CE1 3.67Å; F236-S238 WeakPolarHBondContact CD2-O 3.17Å; F236-I239 HydrophobicContact CD2-CG1 3.84Å; F236-I239 HydrophobicContact CE2-CD1 3.72Å; F236-I239 HydrophobicContact CE2-CG1 3.33Å; F236-I239 HydrophobicContact CZ-CD1 4.49Å; F236-I239 HydrophobicContact CZ-CG1 4.3Å; F236-L274 HydrophobicContact CE1-CB 4.45Å; F236-L274 HydrophobicContact CE1-CD2 3.95Å; F236-L274 HydrophobicContact CZ-CB 4Å; F236-L274 HydrophobicContact CZ-CD2 4.13Å; F236-L274 HydrophobicContact CZ-CG 4.44Å; F236-Y276 AromaticContact CD2-CD2 3.85Å; F236-Y276 HydrophobicContact CD2-CD2 3.85Å; F236-Y276 HydrophobicContact CD2-CE2 4.32Å; F236-Y276 AromaticContact CE2-CD2 3.71Å; F236-Y276 HydrophobicContact CE2-CD2 3.71Å; F236-Y276 HydrophobicContact CE2-CE2 4.45Å; F236-Y276 HydrophobicContact CE2-CG 4.45Å; F236-I329 CarbonylContact C-O 3.59Å; F236-I329 WeakPolarHBondContact CA-O 3.29Å; F236-K330 HydrophobicContact CB-CG 4.21Å; F236-Y332 HydrophobicContact CD1-CE1 4.45Å; F236-L352 HydrophobicContact CD1-CB 3.62Å; F236-L352 HydrophobicContact CD1-CD2 4.45Å; F236-L352 HydrophobicContact CD2-CB 3.9Å; F236-L352 HydrophobicContact CE1-CB 3.71Å; F236-L352 HydrophobicContact CE1-CD2 3.66Å; F236-L352 HydrophobicContact CE1-CG 4.16Å; F236-L352 HydrophobicContact CE2-CB 4.01Å; F236-L352 HydrophobicContact CE2-CD2 4.1Å; F236-L352 HydrophobicContact CG-CB 3.72Å; F236-L352 HydrophobicContact CZ-CB 3.89Å; F236-L352 HydrophobicContact CZ-CD2 3.44Å; F236-L352 VanDerWaalsContact CZ-CD2 3.44Å; F236-L352 HydrophobicContact CZ-CG 4.27Å
237	S	97.4	Very high	95.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	20%	0.197	C	C	.	.	S	Bend	trans	-107.8	-1.1	178.5	79.6	0	0	0	0	113.3	C294 L295 P296 P327 K330 N351	S237-C294 PolarHBondContact OG-O 2.95Å; S237-L295 CarbonylContact O-C 3.59Å; S237-L295 WeakPolarHBondContact O-CA 3.47Å; S237-P296 WeakPolarHBondContact O-CD 3.48Å; S237-P327 WeakPolarHBondContact CB-O 3.28Å; S237-K330 WeakPolarHBondContact OG-CE 3.42Å; S237-K330 PolarHBondContact OG-NZ 2.72Å; S237-N351 PolarHBondContact N-OD1 3.04Å
238	S	97.8	Very high	96.1	Very high	27 Å²	27	32.7 Å²	32.7	19%	0.189	20%	0.202	C	C	.	.			trans	-144.2	147.8	174.7	-175.7	0	0	0	0	111.1	F236 P296 N351 L352	F236-S238 WeakPolarHBondContact CD2-O 3.17Å; S238-P296 WeakPolarHBondContact CA-O 3.38Å; S238-P296 PolarHBondContact OG-O 2.6Å; S238-N351 PolarHBondContact N-OD1 3.27Å; S238-L352 PolarHBondContact O-N 3.27Å
239	I	98.4	Very high	96.7	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-121.5	121.7	176.3	-59.3	174	0	0	0	108.7	F236 L242 Y276 P296 Y297 Q305 L308 L312	F236-I239 HydrophobicContact CD2-CG1 3.84Å; F236-I239 HydrophobicContact CE2-CD1 3.72Å; F236-I239 HydrophobicContact CE2-CG1 3.33Å; F236-I239 HydrophobicContact CZ-CD1 4.49Å; F236-I239 HydrophobicContact CZ-CG1 4.3Å; I239-L242 HydrophobicContact CG2-CD1 4.41Å; I239-Y276 HydrophobicContact CD1-CD1 4.39Å; I239-Y276 HydrophobicContact CD1-CD2 3.91Å; I239-Y276 HydrophobicContact CD1-CE2 4.13Å; I239-Y276 HydrophobicContact CD1-CG 4.03Å; I239-Y276 HydrophobicContact CG1-CD2 4.08Å; I239-Y276 HydrophobicContact CG1-CE2 4Å; I239-P296 PolarHBondContact N-O 3.21Å; I239-Y297 HydrophobicContact CB-CD1 4.45Å; I239-Y297 HydrophobicContact CB-CD2 3.6Å; I239-Y297 HydrophobicContact CB-CE2 3.88Å; I239-Y297 HydrophobicContact CB-CG 3.9Å; I239-Y297 HydrophobicContact CD1-CD1 3.79Å; I239-Y297 HydrophobicContact CD1-CD2 4.43Å; I239-Y297 HydrophobicContact CD1-CE1 3.8Å; I239-Y297 HydrophobicContact CD1-CE2 4.45Å; I239-Y297 HydrophobicContact CD1-CG 4.1Å; I239-Y297 HydrophobicContact CG1-CG 4.39Å; I239-Y297 HydrophobicContact CG2-CD2 3.9Å; I239-Y297 HydrophobicContact CG2-CE2 3.64Å; I239-Q305 VanDerWaalsContact CG2-NE2 3.33Å; I239-L308 HydrophobicContact CG2-CD1 4.01Å; I239-L312 HydrophobicContact CD1-CD2 4.44Å
240	G	97.5	Very high	97	Very high	18 Å²	18	27.5 Å²	27.5	19%	0.186	17%	0.165	C	C	.	.			trans	-84.8	-174.7	172.3	0	0	0	0	0	113.4	L242 Q305 L352	G240-L242 PolarHBondContact O-N 3.32Å; G240-Q305 PolarHBondContact O-NE2 3Å; G240-Q305 PolarHBondContact O-OE1 3.06Å; G240-L352 PolarHBondContact N-O 3.47Å
241	S	97.2	Very high	97	Very high	72 Å²	72	28.4 Å²	28.4	50%	0.503	17%	0.172	S	C	.	.			trans	-76.8	114.3	170.6	-177.3	0	0	0	0	110.5
242	L	98	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.192	C	C	.	.			trans	-100.8	-16.7	-174.7	-50.3	-169.1	0	0	0	112.1	I239 G240 W249 L308 L352 K354	I239-L242 HydrophobicContact CG2-CD1 4.41Å; G240-L242 PolarHBondContact O-N 3.32Å; L242-W249 HydrophobicContact CB-CE3 3.99Å; L242-W249 HydrophobicContact CB-CZ3 4.5Å; L242-W249 HydrophobicContact CD1-CE3 4.34Å; L242-W249 HydrophobicContact CD1-CZ3 4.13Å; L242-W249 HydrophobicContact CD2-CE3 3.86Å; L242-W249 HydrophobicContact CD2-CH2 4.26Å; L242-W249 HydrophobicContact CD2-CZ3 3.57Å; L242-W249 HydrophobicContact CG-CE3 4.26Å; L242-W249 HydrophobicContact CG-CZ3 4.27Å; L242-W249 VanDerWaalsContact O-CB 3.26Å; L242-W249 WeakPolarHBondContact O-CB 3.23Å; L242-L308 HydrophobicContact CD1-CD1 3.92Å; L242-L308 HydrophobicContact CD1-CD2 4.04Å; L242-L352 HydrophobicContact CD1-CD2 3.64Å; L242-L352 HydrophobicContact CD1-CG 3.87Å; L242-L352 HydrophobicContact CD2-CG 4.39Å; L242-K354 WeakPolarHBondContact O-CE 3.25Å; L242-K354 PolarHBondContact O-NZ 2.95Å
243	G	96.4	Very high	96.9	Very high	19 Å²	19	31.9 Å²	31.9	20%	0.196	20%	0.2	C	C	.	.			trans	119	171.5	-177.5	0	0	0	0	0	111.3	Q305 Y307	G243-Q305 WeakPolarHBondContact O-CB 3.41Å; G243-Y307 VanDerWaalsContact O-CE1 3.27Å; G243-Y307 WeakPolarHBondContact O-CE1 3.48Å
244	S	96	Very high	96.9	Very high	77 Å²	77	31.4 Å²	31.4	54%	0.538	20%	0.197	S	C	.	.	S	Bend	trans	-80.1	-17.8	-174.3	60.1	0	0	0	0	114.6	K304 Y307	S244-K304 WeakPolarHBondContact CA-O 3.39Å; S244-Y307 WeakPolarHBondContact O-CD1 3.33Å
245	T	97.2	Very high	96.8	Very high	50 Å²	50	31.4 Å²	31.4	31%	0.307	20%	0.197	S	C	.	.	S	Bend	trans	-138	154.4	-178.3	62.1	0	0	0	0	110.3	D247 K248 Y307	T245-D247 WeakPolarHBondContact CB-OD1 3.33Å; T245-D247 PolarHBondContact OG1-OD1 2.9Å; T245-K248 WeakPolarHBondContact OG1-CG 3.34Å; T245-Y307 VanDerWaalsContact C-CE1 3.43Å; T245-Y307 PolarHBondContact O-OH 2.97Å
246	A	96.4	Very high	96.6	Very high	13 Å²	13	31.6 Å²	31.6	11%	0.107	20%	0.202	C	C	.	.	S	Bend	trans	-69.4	-34.6	-173.1	0	0	0	0	0	112.9	K248 L250 L251 Y307 Y311	A246-K248 VanDerWaalsContact C-N 3.3Å; A246-K248 PolarHBondContact O-N 2.99Å; A246-L250 PolarHBondContact O-N 2.86Å; A246-L251 HydrophobicContact CB-CD1 3.83Å; A246-L251 HydrophobicContact CB-CG 4.02Å; A246-L251 WeakPolarHBondContact O-CB 3.22Å; A246-L251 PolarHBondContact O-N 2.91Å; A246-Y307 VanDerWaalsContact CA-CE2 3.43Å; A246-Y307 HydrophobicContact CB-CD2 3.53Å; A246-Y307 HydrophobicContact CB-CE2 3.59Å; A246-Y307 HydrophobicContact CB-CG 4.25Å; A246-Y311 HydrophobicContact CB-CE2 4.23Å
247	D	95.1	Very high	96.5	Very high	100 Å²	100	31.5 Å²	31.5	54%	0.535	20%	0.202	S	C	.	.	I	π-helix	trans	-62.9	-31.3	-178.2	58.7	-67	0	0	0	113	T245 W249 G252	T245-D247 WeakPolarHBondContact CB-OD1 3.33Å; T245-D247 PolarHBondContact OG1-OD1 2.9Å; D247-W249 PolarHBondContact O-N 2.57Å; D247-G252 WeakPolarHBondContact O-CA 3.39Å; D247-G252 PolarHBondContact O-N 3.36Å; D247-G252 VanDerWaalsContact O-N 3.11Å
248	K	93.2	Very high	96.4	Very high	117 Å²	117	31.4 Å²	31.4	51%	0.509	20%	0.201	S	C	.	.	I	π-helix	trans	-71.5	-33.9	-171.7	-73.8	-177.6	-177.9	-177.3	0	115.2	T245 A246	T245-K248 WeakPolarHBondContact OG1-CG 3.34Å; A246-K248 VanDerWaalsContact C-N 3.3Å; A246-K248 PolarHBondContact O-N 2.99Å
249	W	97.7	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-143	-52.2	-177.3	-173	81.1	0	0	0	112.2	L242 D247 L251 E253 F254 L352 K354 W357 G358	L242-W249 HydrophobicContact CB-CE3 3.99Å; L242-W249 HydrophobicContact CB-CZ3 4.5Å; L242-W249 HydrophobicContact CD1-CE3 4.34Å; L242-W249 HydrophobicContact CD1-CZ3 4.13Å; L242-W249 HydrophobicContact CD2-CE3 3.86Å; L242-W249 HydrophobicContact CD2-CH2 4.26Å; L242-W249 HydrophobicContact CD2-CZ3 3.57Å; L242-W249 HydrophobicContact CG-CE3 4.26Å; L242-W249 HydrophobicContact CG-CZ3 4.27Å; L242-W249 VanDerWaalsContact O-CB 3.26Å; L242-W249 WeakPolarHBondContact O-CB 3.23Å; D247-W249 PolarHBondContact O-N 2.57Å; W249-L251 PolarHBondContact O-N 3.07Å; W249-E253 PolarHBondContact O-N 3.08Å; W249-E253 VanDerWaalsContact O-N 3.12Å; W249-F254 HydrophobicContact CD2-CB 4.35Å; W249-F254 HydrophobicContact CE3-CB 4.21Å; W249-F254 HydrophobicContact CH2-CB 4.05Å; W249-F254 HydrophobicContact CH2-CD1 4.49Å; W249-F254 AromaticContact CH2-CD2 3.98Å; W249-F254 HydrophobicContact CH2-CD2 3.98Å; W249-F254 AromaticContact CH2-CG 3.91Å; W249-F254 HydrophobicContact CH2-CG 3.91Å; W249-F254 HydrophobicContact CZ2-CB 4.19Å; W249-F254 HydrophobicContact CZ2-CD2 4.19Å; W249-F254 HydrophobicContact CZ2-CG 4.33Å; W249-F254 HydrophobicContact CZ3-CB 4.04Å; W249-F254 HydrophobicContact CZ3-CD1 4.46Å; W249-F254 HydrophobicContact CZ3-CG 4.13Å; W249-F254 WeakPolarHBondContact O-CB 3.31Å; W249-F254 PolarHBondContact O-N 2.88Å; W249-L352 HydrophobicContact CH2-CD1 4.19Å; W249-L352 HydrophobicContact CZ3-CD1 3.95Å; W249-L352 HydrophobicContact CZ3-CG 4.45Å; W249-K354 HydrophobicContact CD2-CG 3.95Å; W249-K354 HydrophobicContact CG-CD 4.28Å; W249-K354 VanDerWaalsContact CG-CE 3.47Å; W249-K354 HydrophobicContact CG-CG 4.12Å; W249-K354 HydrophobicContact CZ2-CG 4.15Å; W249-W357 HydrophobicContact CH2-CB 4.32Å; W249-W357 HydrophobicContact CZ2-CB 4Å; W249-G358 PolarHBondContact NE1-O 3.44Å
250	L	97.9	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-59	-50.8	-175.8	178.4	66	0	0	0	111.5	A246 F254 S255 V272 L274 Y307 L308 Y311 L352	A246-L250 PolarHBondContact O-N 2.86Å; L250-F254 HydrophobicContact CD1-CD1 4.35Å; L250-S255 WeakPolarHBondContact O-CB 3.45Å; L250-S255 PolarHBondContact O-N 3.39Å; L250-V272 HydrophobicContact CD1-CG1 4.49Å; L250-L274 HydrophobicContact CD1-CD1 4.49Å; L250-L274 HydrophobicContact CD1-CD2 4.49Å; L250-L274 HydrophobicContact CD2-CD1 4.2Å; L250-Y307 HydrophobicContact CD2-CE2 4.06Å; L250-L308 HydrophobicContact CD2-CD2 3.61Å; L250-Y311 HydrophobicContact CD2-CD2 4.23Å; L250-Y311 HydrophobicContact CD2-CE2 4.49Å; L250-Y311 HydrophobicContact CD2-CG 4.38Å; L250-L352 HydrophobicContact CD1-CD1 4.49Å
251	L	95.8	Very high	95.6	Very high	43 Å²	43	31 Å²	31	23%	0.225	19%	0.192	C	C	.	.	I	π-helix	trans	-93.3	-44.3	-177.6	-60.7	-174.9	0	0	0	112.8	A246 W249 S256 S269 V272 Y311	A246-L251 HydrophobicContact CB-CD1 3.83Å; A246-L251 HydrophobicContact CB-CG 4.02Å; A246-L251 WeakPolarHBondContact O-CB 3.22Å; A246-L251 PolarHBondContact O-N 2.91Å; W249-L251 PolarHBondContact O-N 3.07Å; L251-S256 PolarHBondContact O-N 3.26Å; L251-S269 PolarHBondContact O-OG 2.82Å; L251-V272 HydrophobicContact CD2-CB 4.44Å; L251-V272 HydrophobicContact CD2-CG2 3.66Å; L251-Y311 HydrophobicContact CD1-CE1 4.42Å; L251-Y311 WeakPolarHBondContact CD1-OH 3.4Å; L251-Y311 HydrophobicContact CD2-CE1 4.23Å
252	G	93.8	Very high	95.2	Very high	45 Å²	45	29.7 Å²	29.7	46%	0.464	18%	0.183	S	C	.	.	I	π-helix	trans	-77.3	-23.4	-174.5	0	0	0	0	0	115.2	D247	D247-G252 WeakPolarHBondContact O-CA 3.39Å; D247-G252 PolarHBondContact O-N 3.36Å; D247-G252 VanDerWaalsContact O-N 3.11Å
253	E	96.1	Very high	94.6	Very high	33 Å²	33	33.8 Å²	33.8	15%	0.154	23%	0.225	C	C	.	.	I	π-helix	trans	-115.2	-62.6	177.4	-61.6	-172.7	-170.4	0	0	111.4	W249 S257 S359 Y360	W249-E253 PolarHBondContact O-N 3.08Å; W249-E253 VanDerWaalsContact O-N 3.12Å; E253-S257 VanDerWaalsContact O-CB 3.28Å; E253-S257 WeakPolarHBondContact O-CB 3.46Å; E253-S257 PolarHBondContact O-N 3.06Å; E253-S257 PolarHBondContact O-OG 2.79Å; E253-S359 WeakPolarHBondContact OE2-CA 3.27Å; E253-S359 PolarHBondContact OE2-OG 3.43Å; E253-S359 VanDerWaalsContact OE2-OG 3.09Å; E253-Y360 HydrophobicContact CB-CD2 4.29Å; E253-Y360 HydrophobicContact CG-CD2 3.92Å; E253-Y360 PolarHBondContact OE2-N 3.33Å
254	F	98	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-68.8	-58.8	-170.1	-175.2	-109.6	0	0	0	112.3	H211 W249 L250 S256 S257 L258 Y332 L352 W357	H211-F254 HydrophobicContact CB-CD2 3.88Å; H211-F254 HydrophobicContact CB-CE2 4.15Å; W249-F254 HydrophobicContact CD2-CB 4.35Å; W249-F254 HydrophobicContact CE3-CB 4.21Å; W249-F254 HydrophobicContact CH2-CB 4.05Å; W249-F254 HydrophobicContact CH2-CD1 4.49Å; W249-F254 AromaticContact CH2-CD2 3.98Å; W249-F254 HydrophobicContact CH2-CD2 3.98Å; W249-F254 AromaticContact CH2-CG 3.91Å; W249-F254 HydrophobicContact CH2-CG 3.91Å; W249-F254 HydrophobicContact CZ2-CB 4.19Å; W249-F254 HydrophobicContact CZ2-CD2 4.19Å; W249-F254 HydrophobicContact CZ2-CG 4.33Å; W249-F254 HydrophobicContact CZ3-CB 4.04Å; W249-F254 HydrophobicContact CZ3-CD1 4.46Å; W249-F254 HydrophobicContact CZ3-CG 4.13Å; W249-F254 WeakPolarHBondContact O-CB 3.31Å; W249-F254 PolarHBondContact O-N 2.88Å; L250-F254 HydrophobicContact CD1-CD1 4.35Å; F254-S256 VanDerWaalsContact C-N 3.32Å; F254-S256 PolarHBondContact O-N 3.02Å; F254-S257 WeakPolarHBondContact O-CB 3.44Å; F254-S257 PolarHBondContact O-N 3.33Å; F254-S257 VanDerWaalsContact O-N 3.09Å; F254-L258 HydrophobicContact CD2-CD1 3.91Å; F254-L258 HydrophobicContact CE1-CD2 3.86Å; F254-L258 HydrophobicContact CE2-CD1 3.68Å; F254-L258 HydrophobicContact CE2-CD2 3.93Å; F254-L258 HydrophobicContact CG-CD1 4.48Å; F254-L258 HydrophobicContact CZ-CD1 4.1Å; F254-L258 HydrophobicContact CZ-CD2 3.47Å; F254-L258 VanDerWaalsContact CZ-CD2 3.47Å; F254-L258 HydrophobicContact CZ-CG 4.46Å; F254-L258 VanDerWaalsContact O-CD1 3.27Å; F254-L258 WeakPolarHBondContact O-CD1 3.46Å; F254-L258 PolarHBondContact O-N 3.06Å; F254-Y332 HydrophobicContact CE1-CD1 4.32Å; F254-Y332 HydrophobicContact CE1-CE1 4.08Å; F254-Y332 AromaticContact CZ-CD1 3.9Å; F254-Y332 HydrophobicContact CZ-CD1 3.9Å; F254-Y332 AromaticContact CZ-CE1 3.63Å; F254-Y332 HydrophobicContact CZ-CE1 3.63Å; F254-L352 HydrophobicContact CD1-CD1 4.02Å; F254-L352 HydrophobicContact CE1-CD1 3.68Å; F254-L352 HydrophobicContact CZ-CD1 4.21Å; F254-W357 HydrophobicContact CD2-CB 4.18Å; F254-W357 HydrophobicContact CD2-CD2 4.48Å; F254-W357 HydrophobicContact CD2-CG 4.11Å; F254-W357 HydrophobicContact CE2-CB 4.03Å; F254-W357 AromaticContact CE2-CD1 3.67Å; F254-W357 AromaticContact CE2-CD2 3.54Å; F254-W357 HydrophobicContact CE2-CD2 3.54Å; F254-W357 AromaticContact CE2-CE2 3.8Å; F254-W357 HydrophobicContact CE2-CE3 4.11Å; F254-W357 AromaticContact CE2-CG 3.47Å; F254-W357 HydrophobicContact CE2-CG 3.47Å; F254-W357 VanDerWaalsContact CE2-CG 3.47Å; F254-W357 AromaticContact CE2-NE1 3.83Å; F254-W357 HydrophobicContact CZ-CD2 4.24Å; F254-W357 HydrophobicContact CZ-CG 4.26Å; F254-W357 AromaticContact CZ-NE1 3.87Å
255	S	96.4	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-60.8	-41.4	178.8	-174	0	0	0	0	111.9	L250 S257 L258 G259 P270 V272	L250-S255 WeakPolarHBondContact O-CB 3.45Å; L250-S255 PolarHBondContact O-N 3.39Å; S255-S257 VanDerWaalsContact C-N 3.31Å; S255-S257 PolarHBondContact O-N 3.49Å; S255-L258 CarbonylContact O-C 3.59Å; S255-L258 PolarHBondContact O-N 3.32Å; S255-G259 PolarHBondContact O-N 3.26Å; S255-P270 WeakPolarHBondContact OG-CD 3.24Å; S255-P270 WeakPolarHBondContact OG-CG 3.45Å; S255-P270 PolarHBondContact OG-O 2.98Å; S255-V272 WeakPolarHBondContact OG-CG2 3.47Å
256	S	94.3	Very high	92.1	Very high	41 Å²	41	41.3 Å²	41.3	29%	0.287	24%	0.244	S	C	.	.	H	α-helix	trans	-57.3	-42.7	173.4	178.7	0	0	0	0	112.4	L251 F254 G259 Q260	L251-S256 PolarHBondContact O-N 3.26Å; F254-S256 VanDerWaalsContact C-N 3.32Å; F254-S256 PolarHBondContact O-N 3.02Å; S256-G259 PolarHBondContact O-N 3Å; S256-Q260 PolarHBondContact O-NE2 2.9Å
257	S	95.8	Very high	90.9	Very high	1 Å²	1	45 Å²	45	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-40.6	176.1	-65.7	0	0	0	0	112.7	H211 Q215 E253 F254 S255 Q260	H211-S257 PolarHBondContact ND1-OG 3.38Å; Q215-S257 VanDerWaalsContact CA-O 3.29Å; Q215-S257 WeakPolarHBondContact CA-O 2.96Å; Q215-S257 WeakPolarHBondContact CB-O 3.44Å; Q215-S257 WeakPolarHBondContact CG-O 3.47Å; E253-S257 VanDerWaalsContact O-CB 3.28Å; E253-S257 WeakPolarHBondContact O-CB 3.46Å; E253-S257 PolarHBondContact O-N 3.06Å; E253-S257 PolarHBondContact O-OG 2.79Å; F254-S257 WeakPolarHBondContact O-CB 3.44Å; F254-S257 PolarHBondContact O-N 3.33Å; F254-S257 VanDerWaalsContact O-N 3.09Å; S255-S257 VanDerWaalsContact C-N 3.31Å; S255-S257 PolarHBondContact O-N 3.49Å; S257-Q260 WeakPolarHBondContact O-CG 3.37Å
258	L	96.5	Very high	90.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-85	-10.5	-177	-84.4	67.7	0	0	0	113	H211 L214 L218 L232 F254 S255 Y332 W344	H211-L258 HydrophobicContact CB-CD1 4.02Å; L214-L258 HydrophobicContact CD2-CD1 3.83Å; L214-L258 HydrophobicContact CD2-CD2 3.91Å; L214-L258 HydrophobicContact CD2-CG 3.55Å; L214-L258 HydrophobicContact CG-CD1 4.45Å; L214-L258 HydrophobicContact CG-CG 4.27Å; L218-L258 WeakPolarHBondContact CD1-O 3.26Å; L232-L258 HydrophobicContact CD1-CB 3.99Å; L232-L258 HydrophobicContact CD1-CD2 4.01Å; L232-L258 HydrophobicContact CD2-CB 3.71Å; L232-L258 HydrophobicContact CD2-CD2 4.08Å; F254-L258 HydrophobicContact CD2-CD1 3.91Å; F254-L258 HydrophobicContact CE1-CD2 3.86Å; F254-L258 HydrophobicContact CE2-CD1 3.68Å; F254-L258 HydrophobicContact CE2-CD2 3.93Å; F254-L258 HydrophobicContact CG-CD1 4.48Å; F254-L258 HydrophobicContact CZ-CD1 4.1Å; F254-L258 HydrophobicContact CZ-CD2 3.47Å; F254-L258 VanDerWaalsContact CZ-CD2 3.47Å; F254-L258 HydrophobicContact CZ-CG 4.46Å; F254-L258 VanDerWaalsContact O-CD1 3.27Å; F254-L258 WeakPolarHBondContact O-CD1 3.46Å; F254-L258 PolarHBondContact O-N 3.06Å; S255-L258 CarbonylContact O-C 3.59Å; S255-L258 PolarHBondContact O-N 3.32Å; L258-Y332 HydrophobicContact CD2-CD1 4.19Å; L258-W344 HydrophobicContact CB-CH2 4.49Å; L258-W344 HydrophobicContact CB-CZ2 4.41Å; L258-W344 HydrophobicContact CD2-CH2 4.24Å; L258-W344 HydrophobicContact CG-CH2 4.42Å; L258-W344 WeakPolarHBondContact O-CZ2 3.03Å
259	G	93.1	Very high	89.8	Confident	3 Å²	3	40 Å²	40	3%	0.031	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.4	178.7	0	0	0	0	0	114.8	S255 S256 M266	S255-G259 PolarHBondContact O-N 3.26Å; S256-G259 PolarHBondContact O-N 3Å; G259-M266 WeakPolarHBondContact O-CG 3.21Å
260	Q	92.4	Very high	89.5	Confident	36 Å²	36	40.2 Å²	40.2	17%	0.168	27%	0.272	C	S	.	.			trans	-75.4	153.9	-176.4	-57.1	-61.3	-61.8	0	0	112.9	Q215 L218 R219 S256 S257	Q215-Q260 HydrophobicContact CG-CG 3.54Å; L218-Q260 HydrophobicContact CB-CB 4.16Å; L218-Q260 WeakPolarHBondContact CB-O 3.3Å; R219-Q260 HydrophobicContact CB-CB 4.19Å; S256-Q260 PolarHBondContact O-NE2 2.9Å; S257-Q260 WeakPolarHBondContact O-CG 3.37Å
261	A	90.1	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	30%	0.297	C	S	.	.			trans	-143.1	159.6	168.7	0	0	0	0	0	110.7	L222 V226 G263 Q264	L222-A261 HydrophobicContact CD2-CB 3.89Å; L222-A261 HydrophobicContact CG-CB 4.38Å; V226-A261 HydrophobicContact CG2-CB 3.61Å; A261-G263 PolarHBondContact O-N 3.24Å; A261-Q264 HydrophobicContact CB-CB 4.16Å; A261-Q264 HydrophobicContact CB-CG 4.25Å; A261-Q264 PolarHBondContact O-N 3.36Å
262	S	88.1	Confident	89.3	Confident	46 Å²	46	42.5 Å²	42.5	32%	0.322	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	130.2	-177	-168.1	0	0	0	0	111.4	L218 R219 L222 Q264	L218-S262 PolarHBondContact O-N 3.29Å; R219-S262 VanDerWaalsContact O-CA 3.31Å; R219-S262 WeakPolarHBondContact O-CA 3.46Å; L222-S262 WeakPolarHBondContact O-CA 3.23Å; L222-S262 WeakPolarHBondContact O-CB 3.35Å; L222-S262 PolarHBondContact O-N 3.41Å; S262-Q264 PolarHBondContact O-N 2.68Å; S262-Q264 VanDerWaalsContact O-N 3.1Å
263	G	85.4	Confident	89.5	Confident	85 Å²	85	42.3 Å²	42.3	88%	0.876	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	0.8	179.4	0	0	0	0	0	115.5	A261	A261-G263 PolarHBondContact O-N 3.24Å
264	Q	83.1	Confident	89.6	Confident	55 Å²	55	40.8 Å²	40.8	26%	0.257	27%	0.267	S	S	.	.			trans	-105.5	133.5	-177.2	-61.7	-171.4	-10.8	0	0	111.9	E225 V226 A261 S262	E225-Q264 VanDerWaalsContact CA-NE2 3.34Å; V226-Q264 PolarHBondContact O-OE1 3.14Å; A261-Q264 HydrophobicContact CB-CB 4.16Å; A261-Q264 HydrophobicContact CB-CG 4.25Å; A261-Q264 PolarHBondContact O-N 3.36Å; S262-Q264 PolarHBondContact O-N 2.68Å; S262-Q264 VanDerWaalsContact O-N 3.1Å
265	Q	79.4	Confident	89.5	Confident	202 Å²	202	42 Å²	42	94%	0.944	27%	0.273	S	S	*	.			trans	-95.8	105.4	165.5	-68.3	-162.2	7	0	0	109.1	G267	Q265-G267 PolarHBondContact O-N 2.82Å
266	M	74.8	Confident	89.6	Confident	48 Å²	48	43.3 Å²	43.3	24%	0.236	28%	0.278	C	S	.	.			trans	-76	118.8	177.4	-64.7	-65	-72.1	0	0	110	G259 S268	G259-M266 WeakPolarHBondContact O-CG 3.21Å; M266-S268 VanDerWaalsContact C-N 3.3Å; M266-S268 PolarHBondContact O-N 2.75Å
267	G	72.5	Confident	89.7	Confident	89 Å²	89	41.9 Å²	41.9	92%	0.918	27%	0.268	S	S	*	.	S	Bend	trans	-72.7	-20.4	179	0	0	0	0	0	114.1	Q265	Q265-G267 PolarHBondContact O-N 2.82Å
268	S	80.8	Confident	89.6	Confident	63 Å²	63	43.8 Å²	43.8	44%	0.441	28%	0.281	S	S	.	.	S	Bend	trans	-143.6	150.5	179.7	57.6	0	0	0	0	111.6	M266	M266-S268 VanDerWaalsContact C-N 3.3Å; M266-S268 PolarHBondContact O-N 2.75Å
269	S	84.8	Confident	89.5	Confident	51 Å²	51	48.9 Å²	48.9	36%	0.357	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-65.5	144	167.9	-68.6	0	0	0	0	109.2	L251	L251-S269 PolarHBondContact O-OG 2.82Å
270	P	90.8	Very high	89.5	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.026	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-71.3	159.9	179.3	28.7	-35.5	0	0	0	114.4	L232 S255 V272 R334	L232-P270 HydrophobicContact CB-CG 4.05Å; S255-P270 WeakPolarHBondContact OG-CD 3.24Å; S255-P270 WeakPolarHBondContact OG-CG 3.45Å; S255-P270 PolarHBondContact OG-O 2.98Å; P270-V272 PolarHBondContact O-N 2.9Å; P270-R334 VanDerWaalsContact CB-NH2 3.25Å
271	T	93.4	Very high	89.6	Confident	87 Å²	87	51.5 Å²	51.5	53%	0.534	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-57	129.8	165.9	-57.5	0	0	0	0	109.8	P231 L232	P231-T271 CarbonylContact C-O 3.54Å; P231-T271 WeakPolarHBondContact CA-O 3.48Å; L232-T271 PolarHBondContact N-O 2.85Å
272	V	96.4	Very high	89.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.3	-178.7	-178.1	0	0	0	0	109.9	L232 L250 L251 S255 P270 L274 Y311	L232-V272 HydrophobicContact CD2-CG2 4.4Å; L232-V272 WeakPolarHBondContact O-CA 3.2Å; L250-V272 HydrophobicContact CD1-CG1 4.49Å; L251-V272 HydrophobicContact CD2-CB 4.44Å; L251-V272 HydrophobicContact CD2-CG2 3.66Å; S255-V272 WeakPolarHBondContact OG-CG2 3.47Å; P270-V272 PolarHBondContact O-N 2.9Å; V272-L274 HydrophobicContact CG1-CD2 3.39Å; V272-L274 HydrophobicContact CG1-CG 3.86Å; V272-Y311 HydrophobicContact CB-CD1 4.18Å
273	K	97	Very high	90.3	Very high	42 Å²	42	55.3 Å²	55.3	18%	0.183	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.7	172.3	-62.6	-169	172.5	-133.7	0	109.3	P231 L232 V233 C234 F339	P231-K273 HydrophobicContact CB-CD 4.2Å; P231-K273 HydrophobicContact CB-CG 4.21Å; P231-K273 HydrophobicContact CG-CD 4.48Å; L232-K273 PolarHBondContact O-N 3.08Å; V233-K273 WeakPolarHBondContact CA-O 3.35Å; V233-K273 HydrophobicContact CG2-CB 4.3Å; C234-K273 PolarHBondContact N-O 3.08Å; K273-F339 HydrophobicContact CD-CE1 4.25Å; K273-F339 HydrophobicContact CD-CZ 3.84Å
274	L	98.2	Very high	90.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.8	-177	-61.2	-173.6	0	0	0	110	C234 F236 L250 V272 L308 Y311 L312 H313 L352	C234-L274 HydrophobicContact CB-CD2 3.77Å; F236-L274 HydrophobicContact CE1-CB 4.45Å; F236-L274 HydrophobicContact CE1-CD2 3.95Å; F236-L274 HydrophobicContact CZ-CB 4Å; F236-L274 HydrophobicContact CZ-CD2 4.13Å; F236-L274 HydrophobicContact CZ-CG 4.44Å; L250-L274 HydrophobicContact CD1-CD1 4.49Å; L250-L274 HydrophobicContact CD1-CD2 4.49Å; L250-L274 HydrophobicContact CD2-CD1 4.2Å; V272-L274 HydrophobicContact CG1-CD2 3.39Å; V272-L274 HydrophobicContact CG1-CG 3.86Å; L274-L308 HydrophobicContact CD1-CD2 3.87Å; L274-Y311 WeakPolarHBondContact CB-O 3.28Å; L274-Y311 PolarHBondContact N-O 3.09Å; L274-L312 HydrophobicContact CB-CD2 4.03Å; L274-L312 CarbonylContact O-C 3.54Å; L274-L312 VanDerWaalsContact O-CA 3.29Å; L274-L312 WeakPolarHBondContact O-CA 3.17Å; L274-H313 PolarHBondContact O-N 2.93Å; L274-L352 HydrophobicContact CD1-CD2 3.98Å; L274-L352 HydrophobicContact CD2-CD2 4.05Å
275	I	97.3	Very high	91.3	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.138	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.4	179.9	-62.3	172.5	0	0	0	109.1	V233 C234 Q235 H313 W315	V233-I275 HydrophobicContact CG1-CD1 3.55Å; V233-I275 HydrophobicContact CG1-CG1 4.23Å; C234-I275 PolarHBondContact O-N 3.21Å; Q235-I275 HydrophobicContact CG-CB 3.96Å; Q235-I275 HydrophobicContact CG-CD1 3.75Å; Q235-I275 HydrophobicContact CG-CG1 4.34Å; Q235-I275 HydrophobicContact CG-CG2 4.34Å; I275-H313 WeakPolarHBondContact CA-O 3.27Å; I275-H313 HydrophobicContact CG1-CB 4.31Å; I275-W315 HydrophobicContact CG2-CB 4.37Å; I275-W315 HydrophobicContact CG2-CE3 3.88Å
276	Y	97.5	Very high	92	Very high	27 Å²	27	46 Å²	46	11%	0.106	27%	0.274	C	S	.	.			trans	-148	136.6	176.6	-161.6	-97	0	0	0	109.8	F236 I239 L295 Y297 H313	F236-Y276 AromaticContact CD2-CD2 3.85Å; F236-Y276 HydrophobicContact CD2-CD2 3.85Å; F236-Y276 HydrophobicContact CD2-CE2 4.32Å; F236-Y276 AromaticContact CE2-CD2 3.71Å; F236-Y276 HydrophobicContact CE2-CD2 3.71Å; F236-Y276 HydrophobicContact CE2-CE2 4.45Å; F236-Y276 HydrophobicContact CE2-CG 4.45Å; I239-Y276 HydrophobicContact CD1-CD1 4.39Å; I239-Y276 HydrophobicContact CD1-CD2 3.91Å; I239-Y276 HydrophobicContact CD1-CE2 4.13Å; I239-Y276 HydrophobicContact CD1-CG 4.03Å; I239-Y276 HydrophobicContact CG1-CD2 4.08Å; I239-Y276 HydrophobicContact CG1-CE2 4Å; Y276-L295 PolarHBondContact OH-O 3.32Å; Y276-Y297 HydrophobicContact CE1-CD1 4.28Å; Y276-Y297 WeakPolarHBondContact OH-CB 3.35Å; Y276-H313 PolarHBondContact N-O 3.24Å; Y276-H313 VanDerWaalsContact N-O 3.11Å
277	P	95.7	Very high	93	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.071	28%	0.275	C	S	.	.			trans	-66.3	141.9	-176.5	28.1	-35.5	0	0	0	111.6	D281 V282 L295 W315 P327	P277-D281 HydrophobicContact CB-CB 3.93Å; P277-V282 HydrophobicContact CB-CG2 4.32Å; P277-L295 HydrophobicContact CB-CD1 4.34Å; P277-L295 HydrophobicContact CG-CD1 3.42Å; P277-L295 VanDerWaalsContact CG-CD1 3.42Å; P277-L295 HydrophobicContact CG-CD2 3.65Å; P277-L295 HydrophobicContact CG-CG 4.11Å; P277-W315 HydrophobicContact CB-CB 4.24Å; P277-P327 HydrophobicContact CB-CG 4.11Å; P277-P327 HydrophobicContact CG-CG 3.66Å
278	C	94.3	Very high	94.1	Very high	41 Å²	41	43 Å²	43	28%	0.277	24%	0.241	S	C	.	.			trans	-87.5	172	170.5	74.9	0	0	0	0	111.3	E280 D281 V282	C278-E280 PolarHBondContact O-N 2.86Å; C278-D281 PolarHBondContact N-OD2 2.97Å; C278-D281 WeakPolarHBondContact O-CB 3.45Å; C278-D281 PolarHBondContact O-N 3.19Å; C278-D281 PolarHBondContact SG-OD2 3.44Å; C278-V282 PolarHBondContact O-N 3.04Å; C278-V282 VanDerWaalsContact O-N 3.16Å
279	V	94.7	Very high	94.8	Very high	107 Å²	107	47.1 Å²	47.1	65%	0.648	25%	0.248	S	C	*	.	H	α-helix	trans	-54.4	-39.1	179.6	177.6	0	0	0	0	111.9	V282 R283 Y289	V279-V282 PolarHBondContact O-N 3.15Å; V279-R283 WeakPolarHBondContact O-CB 3.33Å; V279-R283 PolarHBondContact O-N 3.26Å; V279-Y289 HydrophobicContact CG1-CE1 4.28Å
280	E	93.7	Very high	95.3	Very high	79 Å²	79	52.7 Å²	52.7	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-39.2	179	-173.4	64.8	-179.5	0	0	112.2	C278 V282 R283 C284	C278-E280 PolarHBondContact O-N 2.86Å; E280-V282 VanDerWaalsContact C-N 3.27Å; E280-V282 PolarHBondContact O-N 2.99Å; E280-R283 VanDerWaalsContact CD-NH2 3.32Å; E280-R283 PolarHBondContact O-N 2.83Å; E280-R283 IonicContact OE1-CZ 3.67Å; E280-R283 IonicContact OE1-NE 2.73Å; E280-R283 IonicContact OE1-NH2 3.93Å; E280-R283 PolarHBondContact OE1-NH2 3.18Å; E280-R283 IonicContact OE2-CZ 3.07Å; E280-R283 IonicContact OE2-NE 3.67Å; E280-R283 PolarHBondContact OE2-NE 2.85Å; E280-R283 IonicContact OE2-NH2 3.94Å; E280-R283 PolarHBondContact OE2-NH2 3.02Å; E280-C284 WeakPolarHBondContact O-CB 3.25Å; E280-C284 PolarHBondContact O-N 3.19Å
281	D	94	Very high	95.5	Very high	14 Å²	14	52.6 Å²	52.6	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176.9	-55.8	-39.4	0	0	0	110.9	P277 C278 S285 R316	P277-D281 HydrophobicContact CB-CB 3.93Å; C278-D281 PolarHBondContact N-OD2 2.97Å; C278-D281 WeakPolarHBondContact O-CB 3.45Å; C278-D281 PolarHBondContact O-N 3.19Å; C278-D281 PolarHBondContact SG-OD2 3.44Å; D281-S285 WeakPolarHBondContact O-CB 3.44Å; D281-S285 PolarHBondContact O-N 2.87Å; D281-S285 VanDerWaalsContact O-N 3.14Å; D281-R316 IonicContact OD1-CZ 3.69Å; D281-R316 IonicContact OD1-NH1 2.91Å; D281-R316 PolarHBondContact OD1-NH1 2.88Å; D281-R316 IonicContact OD1-NH2 3.76Å
282	V	96	Very high	95.5	Very high	15 Å²	15	49.7 Å²	49.7	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-49.7	175.8	-179.1	0	0	0	0	110.9	P277 C278 V279 E280 C284 S285 G288 L295	P277-V282 HydrophobicContact CB-CG2 4.32Å; C278-V282 PolarHBondContact O-N 3.04Å; C278-V282 VanDerWaalsContact O-N 3.16Å; V279-V282 PolarHBondContact O-N 3.15Å; E280-V282 VanDerWaalsContact C-N 3.27Å; E280-V282 PolarHBondContact O-N 2.99Å; V282-C284 PolarHBondContact O-N 3.14Å; V282-S285 VanDerWaalsContact O-CB 3.24Å; V282-S285 WeakPolarHBondContact O-CB 3.36Å; V282-S285 PolarHBondContact O-N 3.19Å; V282-S285 PolarHBondContact O-OG 2.88Å; V282-G288 CarbonylContact O-C 3.47Å; V282-G288 VanDerWaalsContact O-C 3.28Å; V282-L295 HydrophobicContact CG2-CD1 3.68Å
283	R	96.5	Very high	95.4	Very high	112 Å²	112	52.8 Å²	52.8	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-56.7	-38.4	-179.7	-173.9	-173.4	75.4	78.2	-2.6	111.9	V279 E280 Y289	V279-R283 WeakPolarHBondContact O-CB 3.33Å; V279-R283 PolarHBondContact O-N 3.26Å; E280-R283 VanDerWaalsContact CD-NH2 3.32Å; E280-R283 PolarHBondContact O-N 2.83Å; E280-R283 IonicContact OE1-CZ 3.67Å; E280-R283 IonicContact OE1-NE 2.73Å; E280-R283 IonicContact OE1-NH2 3.93Å; E280-R283 PolarHBondContact OE1-NH2 3.18Å; E280-R283 IonicContact OE2-CZ 3.07Å; E280-R283 IonicContact OE2-NE 3.67Å; E280-R283 PolarHBondContact OE2-NE 2.85Å; E280-R283 IonicContact OE2-NH2 3.94Å; E280-R283 PolarHBondContact OE2-NH2 3.02Å; R283-Y289 HydrophobicContact CB-CE1 3.95Å; R283-Y289 VanDerWaalsContact CD-OH 3.29Å; R283-Y289 WeakPolarHBondContact CD-OH 3.45Å; R283-Y289 HydrophobicContact CG-CE1 4.14Å; R283-Y289 HydrophobicContact CG-CE2 3.89Å
284	C	94	Very high	95.2	Very high	42 Å²	42	51.6 Å²	51.6	28%	0.284	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.7	179.2	-67.4	0	0	0	0	114.1	E280 V282	E280-C284 WeakPolarHBondContact O-CB 3.25Å; E280-C284 PolarHBondContact O-N 3.19Å; V282-C284 PolarHBondContact O-N 3.14Å
285	S	95.2	Very high	95.2	Very high	13 Å²	13	52.3 Å²	52.3	9%	0.091	29%	0.289	C	S	.	.	S	Bend	trans	-70.2	166.4	174.8	77.2	0	0	0	0	111.7	D281 V282 E287 G288 R324	D281-S285 WeakPolarHBondContact O-CB 3.44Å; D281-S285 PolarHBondContact O-N 2.87Å; D281-S285 VanDerWaalsContact O-N 3.14Å; V282-S285 VanDerWaalsContact O-CB 3.24Å; V282-S285 WeakPolarHBondContact O-CB 3.36Å; V282-S285 PolarHBondContact O-N 3.19Å; V282-S285 PolarHBondContact O-OG 2.88Å; S285-E287 PolarHBondContact O-N 3.12Å; S285-E287 PolarHBondContact OG-N 3.02Å; S285-G288 PolarHBondContact O-N 2.99Å; S285-G288 VanDerWaalsContact O-N 3.16Å; S285-G288 PolarHBondContact OG-N 3.06Å; S285-G288 VanDerWaalsContact OG-N 3.12Å; S285-G288 PolarHBondContact OG-O 2.91Å; S285-R324 CarbonylContact C-O 3.52Å; S285-R324 WeakPolarHBondContact CA-O 3.27Å; S285-R324 VanDerWaalsContact CB-O 3.27Å; S285-R324 WeakPolarHBondContact CB-O 3.47Å
286	L	94.8	Very high	95.1	Very high	90 Å²	90	54.5 Å²	54.5	47%	0.471	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.3	176.2	-61.4	172.4	0	0	0	112.7	Q142 R324 A325	Q142-L286 HydrophobicContact CB-CD1 4.39Å; Q142-L286 HydrophobicContact CG-CD1 4.45Å; L286-R324 HydrophobicContact CD2-CB 4.23Å; L286-R324 HydrophobicContact CG-CB 4.09Å; L286-R324 WeakPolarHBondContact CG-O 3.35Å; L286-R324 PolarHBondContact N-O 2.99Å; L286-A325 HydrophobicContact CD1-CB 4.42Å
287	E	95.1	Very high	95.1	Very high	56 Å²	56	55.7 Å²	55.7	26%	0.262	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.2	-178.9	-62.8	173.8	103.2	0	0	112.3	Q142 K143 S285	Q142-E287 HydrophobicContact CB-CG 4.32Å; K143-E287 IonicContact NZ-OE1 3.67Å; S285-E287 PolarHBondContact O-N 3.12Å; S285-E287 PolarHBondContact OG-N 3.02Å
288	G	95.6	Very high	95.1	Very high	20 Å²	20	58.3 Å²	58.3	21%	0.206	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	57.4	-147.6	-172.9	0	0	0	0	0	112.9	V282 S285 E290 G291	V282-G288 CarbonylContact O-C 3.47Å; V282-G288 VanDerWaalsContact O-C 3.28Å; S285-G288 PolarHBondContact O-N 2.99Å; S285-G288 VanDerWaalsContact O-N 3.16Å; S285-G288 PolarHBondContact OG-N 3.06Å; S285-G288 VanDerWaalsContact OG-N 3.12Å; S285-G288 PolarHBondContact OG-O 2.91Å; G288-E290 PolarHBondContact O-N 2.86Å; G288-G291 PolarHBondContact O-N 3.36Å; G288-G291 VanDerWaalsContact O-N 3.11Å
289	Y	96.9	Very high	95.1	Very high	149 Å²	149	64.9 Å²	64.9	58%	0.584	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-60.2	-30	-179.3	-73.4	-65.2	0	0	0	114	V279 R283 G291 G292	V279-Y289 HydrophobicContact CG1-CE1 4.28Å; R283-Y289 HydrophobicContact CB-CE1 3.95Å; R283-Y289 VanDerWaalsContact CD-OH 3.29Å; R283-Y289 WeakPolarHBondContact CD-OH 3.45Å; R283-Y289 HydrophobicContact CG-CE1 4.14Å; R283-Y289 HydrophobicContact CG-CE2 3.89Å; Y289-G291 PolarHBondContact O-N 2.73Å; Y289-G292 WeakPolarHBondContact O-CA 3.25Å; Y289-G292 PolarHBondContact O-N 3Å
290	E	95.1	Very high	95.2	Very high	168 Å²	168	67.8 Å²	67.8	79%	0.785	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-63.6	-30	177.7	-65.2	-56.7	137.7	0	0	111.9	G288 G292 G293	G288-E290 PolarHBondContact O-N 2.86Å; E290-G292 PolarHBondContact O-N 3.41Å; E290-G292 VanDerWaalsContact O-N 3.08Å; E290-G293 PolarHBondContact O-N 3.07Å
291	G	93.4	Very high	95.4	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59.2	-19.9	171	0	0	0	0	0	113.5	G288 Y289 G293 C294	G288-G291 PolarHBondContact O-N 3.36Å; G288-G291 VanDerWaalsContact O-N 3.11Å; Y289-G291 PolarHBondContact O-N 2.73Å; G291-G293 PolarHBondContact O-N 3.11Å; G291-C294 PolarHBondContact O-SG 3.38Å
292	G	95	Very high	95.5	Very high	26 Å²	26	66.1 Å²	66.1	27%	0.268	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-63.7	-20.4	174	0	0	0	0	0	114.1	Y289 E290 C294 L295	Y289-G292 WeakPolarHBondContact O-CA 3.25Å; Y289-G292 PolarHBondContact O-N 3Å; E290-G292 PolarHBondContact O-N 3.41Å; E290-G292 VanDerWaalsContact O-N 3.08Å; G292-C294 PolarHBondContact O-N 3.29Å; G292-L295 WeakPolarHBondContact O-CB 3.26Å; G292-L295 PolarHBondContact O-N 2.82Å
293	G	93.2	Very high	95.6	Very high	68 Å²	68	72 Å²	72	70%	0.701	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-61.6	-28.1	-179.5	0	0	0	0	0	113.9	E290 G291 L295	E290-G293 PolarHBondContact O-N 3.07Å; G291-G293 PolarHBondContact O-N 3.11Å; G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 3.23Å
294	C	93.9	Very high	95.6	Very high	17 Å²	17	73.3 Å²	73.3	12%	0.115	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-88.6	7.9	176.8	79.1	0	0	0	0	113.8	K143 S237 G291 G292 P296	K143-C294 HydrophobicContact CD-CB 3.94Å; K143-C294 VanDerWaalsContact CE-SG 3.56Å; S237-C294 PolarHBondContact OG-O 2.95Å; G291-C294 PolarHBondContact O-SG 3.38Å; G292-C294 PolarHBondContact O-N 3.29Å; C294-P296 WeakPolarHBondContact O-CD 3.03Å
295	L	96.5	Very high	95.8	Very high	16 Å²	16	71.3 Å²	71.3	8%	0.084	37%	0.37	C	S	.	.			trans	-117.5	60.2	-178	-61.5	166	0	0	0	112.6	S237 Y276 P277 V282 G292 G293 Y297 P327	S237-L295 CarbonylContact O-C 3.59Å; S237-L295 WeakPolarHBondContact O-CA 3.47Å; Y276-L295 PolarHBondContact OH-O 3.32Å; P277-L295 HydrophobicContact CB-CD1 4.34Å; P277-L295 HydrophobicContact CG-CD1 3.42Å; P277-L295 VanDerWaalsContact CG-CD1 3.42Å; P277-L295 HydrophobicContact CG-CD2 3.65Å; P277-L295 HydrophobicContact CG-CG 4.11Å; V282-L295 HydrophobicContact CG2-CD1 3.68Å; G292-L295 WeakPolarHBondContact O-CB 3.26Å; G292-L295 PolarHBondContact O-N 2.82Å; G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 3.23Å; L295-Y297 PolarHBondContact O-N 3.4Å; L295-P327 HydrophobicContact CD2-CG 4.23Å
296	P	96	Very high	95.8	Very high	72 Å²	72	75.1 Å²	75.1	47%	0.468	39%	0.389	S	S	.	.			trans	-65.8	108.1	-176.1	-16.5	29.4	0	0	0	112.3	S237 S238 I239 C294	S237-P296 WeakPolarHBondContact O-CD 3.48Å; S238-P296 WeakPolarHBondContact CA-O 3.38Å; S238-P296 PolarHBondContact OG-O 2.6Å; I239-P296 PolarHBondContact N-O 3.21Å; C294-P296 WeakPolarHBondContact O-CD 3.03Å
297	Y	97.1	Very high	96	Very high	53 Å²	53	72 Å²	72	21%	0.208	37%	0.371	C	S	.	.			trans	-151.3	84.8	165.7	-177.2	-146.7	0	0	0	109.7	I239 Y276 L295 T301 A302 Q305	I239-Y297 HydrophobicContact CB-CD1 4.45Å; I239-Y297 HydrophobicContact CB-CD2 3.6Å; I239-Y297 HydrophobicContact CB-CE2 3.88Å; I239-Y297 HydrophobicContact CB-CG 3.9Å; I239-Y297 HydrophobicContact CD1-CD1 3.79Å; I239-Y297 HydrophobicContact CD1-CD2 4.43Å; I239-Y297 HydrophobicContact CD1-CE1 3.8Å; I239-Y297 HydrophobicContact CD1-CE2 4.45Å; I239-Y297 HydrophobicContact CD1-CG 4.1Å; I239-Y297 HydrophobicContact CG1-CG 4.39Å; I239-Y297 HydrophobicContact CG2-CD2 3.9Å; I239-Y297 HydrophobicContact CG2-CE2 3.64Å; Y276-Y297 HydrophobicContact CE1-CD1 4.28Å; Y276-Y297 WeakPolarHBondContact OH-CB 3.35Å; L295-Y297 PolarHBondContact O-N 3.4Å; Y297-T301 HydrophobicContact CD2-CG2 4.28Å; Y297-T301 HydrophobicContact CE2-CG2 4.09Å; Y297-A302 HydrophobicContact CD1-CB 4.39Å; Y297-A302 HydrophobicContact CD2-CB 4.3Å; Y297-A302 HydrophobicContact CE1-CB 3.76Å; Y297-A302 HydrophobicContact CE2-CB 3.65Å; Y297-A302 VanDerWaalsContact CZ-CA 3.5Å; Y297-A302 WeakPolarHBondContact OH-CA 3.12Å; Y297-Q305 PolarHBondContact OH-NE2 3.03Å
298	S	95.1	Very high	96.1	Very high	66 Å²	66	69.4 Å²	69.4	46%	0.462	36%	0.359	S	S	.	.			trans	-66.7	149.5	-174.5	62.7	0	0	0	0	112.5	K300 T301 A302	S298-K300 PolarHBondContact O-N 3.41Å; S298-T301 WeakPolarHBondContact O-CA 3.37Å; S298-T301 WeakPolarHBondContact O-CB 3.22Å; S298-T301 PolarHBondContact O-N 3.24Å; S298-T301 PolarHBondContact OG-N 2.88Å; S298-T301 PolarHBondContact OG-OG1 3.25Å; S298-A302 PolarHBondContact O-N 3Å
299	Y	95.9	Very high	96.1	Very high	178 Å²	178	75.2 Å²	75.2	70%	0.698	38%	0.379	S	S	*	.	H	α-helix	trans	-50.9	-42.8	172.9	175.6	-97.1	0	0	0	112.6	T301 A302 F303	Y299-T301 PolarHBondContact O-N 3.33Å; Y299-A302 PolarHBondContact O-N 2.89Å; Y299-F303 HydrophobicContact CE1-CB 4.35Å; Y299-F303 VanDerWaalsContact O-CB 3.27Å; Y299-F303 WeakPolarHBondContact O-CB 3.46Å; Y299-F303 PolarHBondContact O-N 2.9Å
300	K	96.5	Very high	96.1	Very high	169 Å²	169	78.3 Å²	78.3	74%	0.735	39%	0.389	S	S	*	.	H	α-helix	trans	-60.2	-29.8	177.8	-70.6	-176.7	179	177	0	113.5	S298	S298-K300 PolarHBondContact O-N 3.41Å
301	T	97.1	Very high	96.2	Very high	33 Å²	33	72.6 Å²	72.6	20%	0.202	36%	0.361	C	S	.	.	H	α-helix	trans	-81.9	-48.4	175.4	-54.3	0	0	0	0	109.7	Y297 S298 Y299 F303 K304	Y297-T301 HydrophobicContact CD2-CG2 4.28Å; Y297-T301 HydrophobicContact CE2-CG2 4.09Å; S298-T301 WeakPolarHBondContact O-CA 3.37Å; S298-T301 WeakPolarHBondContact O-CB 3.22Å; S298-T301 PolarHBondContact O-N 3.24Å; S298-T301 PolarHBondContact OG-N 2.88Å; S298-T301 PolarHBondContact OG-OG1 3.25Å; Y299-T301 PolarHBondContact O-N 3.33Å; T301-F303 PolarHBondContact O-N 2.89Å; T301-K304 PolarHBondContact O-N 3.4Å
302	A	97.3	Very high	96.3	Very high	24 Å²	24	75.5 Å²	75.5	20%	0.198	38%	0.376	C	S	.	.	H	α-helix	trans	-58.8	-43.4	-178.7	0	0	0	0	0	113.4	Y297 S298 Y299 K304 Q305 D306	Y297-A302 HydrophobicContact CD1-CB 4.39Å; Y297-A302 HydrophobicContact CD2-CB 4.3Å; Y297-A302 HydrophobicContact CE1-CB 3.76Å; Y297-A302 HydrophobicContact CE2-CB 3.65Å; Y297-A302 VanDerWaalsContact CZ-CA 3.5Å; Y297-A302 WeakPolarHBondContact OH-CA 3.12Å; S298-A302 PolarHBondContact O-N 3Å; Y299-A302 PolarHBondContact O-N 2.89Å; A302-K304 PolarHBondContact O-N 3.02Å; A302-K304 VanDerWaalsContact O-N 3.13Å; A302-Q305 CarbonylContact O-C 3.6Å; A302-Q305 PolarHBondContact O-N 3.43Å; A302-D306 PolarHBondContact O-N 2.7Å
303	F	96.5	Very high	96.3	Very high	140 Å²	140	77.6 Å²	77.6	61%	0.614	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.3	179.8	-179.6	-96.2	0	0	0	113.2	Y299 T301 Q305	Y299-F303 HydrophobicContact CE1-CB 4.35Å; Y299-F303 VanDerWaalsContact O-CB 3.27Å; Y299-F303 WeakPolarHBondContact O-CB 3.46Å; Y299-F303 PolarHBondContact O-N 2.9Å; T301-F303 PolarHBondContact O-N 2.89Å; F303-Q305 VanDerWaalsContact C-N 3.3Å; F303-Q305 PolarHBondContact O-N 2.74Å
304	K	97.1	Very high	96.2	Very high	139 Å²	139	79.9 Å²	79.9	60%	0.604	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-81.9	-6.7	-179.5	-64.6	178.8	-177.5	-177.8	0	113.8	S244 T301 A302	S244-K304 WeakPolarHBondContact CA-O 3.39Å; T301-K304 PolarHBondContact O-N 3.4Å; A302-K304 PolarHBondContact O-N 3.02Å; A302-K304 VanDerWaalsContact O-N 3.13Å
305	Q	97.7	Very high	96.1	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-146.1	46.1	-172.1	61.3	-168.3	26.7	0	0	111.4	I239 G240 G243 Y297 A302 F303 Y307 L308	I239-Q305 VanDerWaalsContact CG2-NE2 3.33Å; G240-Q305 PolarHBondContact O-NE2 3Å; G240-Q305 PolarHBondContact O-OE1 3.06Å; G243-Q305 WeakPolarHBondContact O-CB 3.41Å; Y297-Q305 PolarHBondContact OH-NE2 3.03Å; A302-Q305 CarbonylContact O-C 3.6Å; A302-Q305 PolarHBondContact O-N 3.43Å; F303-Q305 VanDerWaalsContact C-N 3.3Å; F303-Q305 PolarHBondContact O-N 2.74Å; Q305-Y307 HydrophobicContact CB-CD1 4.31Å; Q305-Y307 HydrophobicContact CB-CE1 3.74Å; Q305-Y307 PolarHBondContact O-N 3.33Å; Q305-L308 HydrophobicContact CB-CD1 4.32Å; Q305-L308 HydrophobicContact CB-CG 4.36Å; Q305-L308 HydrophobicContact CG-CD1 3.67Å; Q305-L308 HydrophobicContact CG-CG 4.18Å; Q305-L308 WeakPolarHBondContact O-CB 3.39Å; Q305-L308 WeakPolarHBondContact O-CG 3.44Å; Q305-L308 PolarHBondContact O-N 2.98Å
306	D	96.4	Very high	95.8	Very high	92 Å²	92	81.5 Å²	81.5	49%	0.492	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.2	-175.1	-168.2	72.5	0	0	0	113.7	A302 L308 K309	A302-D306 PolarHBondContact O-N 2.7Å; D306-L308 PolarHBondContact O-N 2.8Å; D306-K309 WeakPolarHBondContact O-CB 3.29Å; D306-K309 WeakPolarHBondContact O-CG 3.17Å; D306-K309 PolarHBondContact O-N 2.93Å; D306-K309 VanDerWaalsContact O-N 3.12Å; D306-K309 WeakPolarHBondContact OD1-CD 3.19Å; D306-K309 WeakPolarHBondContact OD1-CE 3.39Å; D306-K309 IonicContact OD1-NZ 3.36Å; D306-K309 PolarHBondContact OD1-NZ 2.77Å
307	Y	97.5	Very high	95.6	Very high	25 Å²	25	78.9 Å²	78.9	10%	0.098	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-54.6	-24.7	175.1	72.1	-96.6	0	0	0	113.6	G243 S244 T245 A246 L250 Q305 K309 R310 Y311	G243-Y307 VanDerWaalsContact O-CE1 3.27Å; G243-Y307 WeakPolarHBondContact O-CE1 3.48Å; S244-Y307 WeakPolarHBondContact O-CD1 3.33Å; T245-Y307 VanDerWaalsContact C-CE1 3.43Å; T245-Y307 PolarHBondContact O-OH 2.97Å; A246-Y307 VanDerWaalsContact CA-CE2 3.43Å; A246-Y307 HydrophobicContact CB-CD2 3.53Å; A246-Y307 HydrophobicContact CB-CE2 3.59Å; A246-Y307 HydrophobicContact CB-CG 4.25Å; L250-Y307 HydrophobicContact CD2-CE2 4.06Å; Q305-Y307 HydrophobicContact CB-CD1 4.31Å; Q305-Y307 HydrophobicContact CB-CE1 3.74Å; Q305-Y307 PolarHBondContact O-N 3.33Å; Y307-K309 PolarHBondContact O-N 3.15Å; Y307-R310 WeakPolarHBondContact O-CB 3.22Å; Y307-R310 PolarHBondContact O-N 3.41Å; Y307-R310 VanDerWaalsContact O-N 3.14Å; Y307-Y311 HydrophobicContact CD2-CD2 4.36Å; Y307-Y311 AromaticContact CD2-CE2 3.92Å; Y307-Y311 HydrophobicContact CD2-CE2 3.92Å; Y307-Y311 WeakPolarHBondContact O-CD2 3.29Å
308	L	97.4	Very high	95	Very high	1 Å²	1	79.3 Å²	79.3	1%	0.005	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.5	179.7	-75.5	-175.7	0	0	0	112.6	I239 L242 L250 L274 Q305 D306 R310 Y311 L312	I239-L308 HydrophobicContact CG2-CD1 4.01Å; L242-L308 HydrophobicContact CD1-CD1 3.92Å; L242-L308 HydrophobicContact CD1-CD2 4.04Å; L250-L308 HydrophobicContact CD2-CD2 3.61Å; L274-L308 HydrophobicContact CD1-CD2 3.87Å; Q305-L308 HydrophobicContact CB-CD1 4.32Å; Q305-L308 HydrophobicContact CB-CG 4.36Å; Q305-L308 HydrophobicContact CG-CD1 3.67Å; Q305-L308 HydrophobicContact CG-CG 4.18Å; Q305-L308 WeakPolarHBondContact O-CB 3.39Å; Q305-L308 WeakPolarHBondContact O-CG 3.44Å; Q305-L308 PolarHBondContact O-N 2.98Å; D306-L308 PolarHBondContact O-N 2.8Å; L308-R310 PolarHBondContact O-N 3.32Å; L308-Y311 PolarHBondContact O-N 3.35Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.45Å
309	K	96.2	Very high	94.5	Very high	143 Å²	143	79.9 Å²	79.9	62%	0.622	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.4	-29.5	177.3	-70	173.9	176	168	0	113.1	D306 Y307 Y311	D306-K309 WeakPolarHBondContact O-CB 3.29Å; D306-K309 WeakPolarHBondContact O-CG 3.17Å; D306-K309 PolarHBondContact O-N 2.93Å; D306-K309 VanDerWaalsContact O-N 3.12Å; D306-K309 WeakPolarHBondContact OD1-CD 3.19Å; D306-K309 WeakPolarHBondContact OD1-CE 3.39Å; D306-K309 IonicContact OD1-NZ 3.36Å; D306-K309 PolarHBondContact OD1-NZ 2.77Å; Y307-K309 PolarHBondContact O-N 3.15Å; K309-Y311 VanDerWaalsContact C-N 3.25Å; K309-Y311 PolarHBondContact O-N 3.11Å
310	R	96.6	Very high	94.1	Very high	213 Å²	213	76.8 Å²	76.8	80%	0.804	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-71.7	-17.8	178.9	-58.5	-179.4	-175.7	179.5	0.3	113.9	Y307 L308	Y307-R310 WeakPolarHBondContact O-CB 3.22Å; Y307-R310 PolarHBondContact O-N 3.41Å; Y307-R310 VanDerWaalsContact O-N 3.14Å; L308-R310 PolarHBondContact O-N 3.32Å
311	Y	97.2	Very high	93.7	Very high	49 Å²	49	72.1 Å²	72.1	19%	0.192	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-11.6	-177.3	-54.1	-87.4	0	0	0	112.1	A246 L250 L251 V272 L274 Y307 L308 K309 H313	A246-Y311 HydrophobicContact CB-CE2 4.23Å; L250-Y311 HydrophobicContact CD2-CD2 4.23Å; L250-Y311 HydrophobicContact CD2-CE2 4.49Å; L250-Y311 HydrophobicContact CD2-CG 4.38Å; L251-Y311 HydrophobicContact CD1-CE1 4.42Å; L251-Y311 WeakPolarHBondContact CD1-OH 3.4Å; L251-Y311 HydrophobicContact CD2-CE1 4.23Å; V272-Y311 HydrophobicContact CB-CD1 4.18Å; L274-Y311 WeakPolarHBondContact CB-O 3.28Å; L274-Y311 PolarHBondContact N-O 3.09Å; Y307-Y311 HydrophobicContact CD2-CD2 4.36Å; Y307-Y311 AromaticContact CD2-CE2 3.92Å; Y307-Y311 HydrophobicContact CD2-CE2 3.92Å; Y307-Y311 WeakPolarHBondContact O-CD2 3.29Å; L308-Y311 PolarHBondContact O-N 3.35Å; K309-Y311 VanDerWaalsContact C-N 3.25Å; K309-Y311 PolarHBondContact O-N 3.11Å; Y311-H313 PolarHBondContact O-ND1 3.09Å
312	L	97	Very high	93.5	Very high	61 Å²	61	74.5 Å²	74.5	32%	0.319	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.5	-176.7	-71.3	176.1	0	0	0	111.7	I239 L274 L308	I239-L312 HydrophobicContact CD1-CD2 4.44Å; L274-L312 HydrophobicContact CB-CD2 4.03Å; L274-L312 CarbonylContact O-C 3.54Å; L274-L312 VanDerWaalsContact O-CA 3.29Å; L274-L312 WeakPolarHBondContact O-CA 3.17Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.45Å
313	H	94.9	Very high	93.2	Very high	71 Å²	71	73.9 Å²	73.9	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.7	176.5	-68.4	63	0	0	0	109.4	L274 I275 Y276 Y311	L274-H313 PolarHBondContact O-N 2.93Å; I275-H313 WeakPolarHBondContact CA-O 3.27Å; I275-H313 HydrophobicContact CG1-CB 4.31Å; Y276-H313 PolarHBondContact N-O 3.24Å; Y276-H313 VanDerWaalsContact N-O 3.11Å; Y311-H313 PolarHBondContact O-ND1 3.09Å
314	R	91.3	Very high	93.1	Very high	116 Å²	116	74.3 Å²	74.3	44%	0.438	35%	0.352	S	S	.	.			trans	-73.6	149.1	-176	-67.1	-169	178.4	-142.6	-1.4	111.9
315	W	91.9	Very high	93	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.027	32%	0.324	C	S	.	.			trans	-75.2	123.8	170.2	169.8	-107.8	0	0	0	110.7	T144 I275 P277 R322 S323 A325 P327 I329	T144-W315 HydrophobicContact CG2-CH2 3.64Å; T144-W315 HydrophobicContact CG2-CZ2 3.67Å; I275-W315 HydrophobicContact CG2-CB 4.37Å; I275-W315 HydrophobicContact CG2-CE3 3.88Å; P277-W315 HydrophobicContact CB-CB 4.24Å; W315-R322 PolarHBondContact NE1-O 3.18Å; W315-S323 PolarHBondContact NE1-O 3.39Å; W315-A325 PolarHBondContact NE1-O 3.19Å; W315-P327 HydrophobicContact CB-CG 4.24Å; W315-P327 HydrophobicContact CD2-CB 3.52Å; W315-P327 HydrophobicContact CD2-CG 3.8Å; W315-P327 HydrophobicContact CE3-CB 3.6Å; W315-P327 HydrophobicContact CE3-CG 4.18Å; W315-P327 HydrophobicContact CG-CB 4.08Å; W315-P327 HydrophobicContact CG-CG 3.79Å; W315-P327 HydrophobicContact CH2-CB 4.05Å; W315-P327 HydrophobicContact CZ2-CB 3.97Å; W315-P327 HydrophobicContact CZ3-CB 3.86Å; W315-I329 HydrophobicContact CH2-CG2 4.08Å; W315-I329 HydrophobicContact CZ3-CG2 3.96Å
316	R	89.9	Confident	92.9	Very high	59 Å²	59	68.1 Å²	68.1	22%	0.223	33%	0.326	C	S	.	.			trans	-142.9	140.9	171.6	-70.9	-64.5	-179.8	-95.7	13.5	109.9	D281 D400	D281-R316 IonicContact OD1-CZ 3.69Å; D281-R316 IonicContact OD1-NH1 2.91Å; D281-R316 PolarHBondContact OD1-NH1 2.88Å; D281-R316 IonicContact OD1-NH2 3.76Å; R316-D400 IonicContact CZ-OD2 3.26Å; R316-D400 IonicContact NE-OD2 3.45Å; R316-D400 PolarHBondContact NE-OD2 3.04Å; R316-D400 IonicContact NH2-OD2 2.67Å
317	S	90.3	Very high	92.9	Very high	17 Å²	17	64 Å²	64	12%	0.119	30%	0.304	C	S	.	.			trans	-154.6	54	178.7	-161.8	0	0	0	0	109.9	N320 G321 R322 S323	S317-N320 PolarHBondContact O-N 3.48Å; S317-N320 PolarHBondContact OG-ND2 3.28Å; S317-G321 PolarHBondContact O-N 3.21Å; S317-R322 PolarHBondContact O-N 3.26Å; S317-S323 VanDerWaalsContact C-OG 3.3Å; S317-S323 PolarHBondContact N-OG 3Å; S317-S323 PolarHBondContact O-N 2.89Å
318	E	86.3	Confident	92.9	Very high	62 Å²	62	63.1 Å²	63.1	29%	0.29	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-46.8	-174.7	-64.4	-60.3	148.7	0	0	111.5	N320 G321 S323 D400 S401	E318-N320 PolarHBondContact O-N 3.1Å; E318-N320 VanDerWaalsContact O-N 3.12Å; E318-G321 PolarHBondContact O-N 3.25Å; E318-S323 PolarHBondContact N-OG 3.14Å; E318-S323 WeakPolarHBondContact OE1-CB 3.48Å; E318-S323 PolarHBondContact OE1-OG 3.09Å; E318-D400 HydrophobicContact CG-CB 3.79Å; E318-S401 PolarHBondContact OE1-OG 2.93Å; E318-S401 WeakPolarHBondContact OE2-CB 3.43Å; E318-S401 PolarHBondContact OE2-N 3.25Å; E318-S401 PolarHBondContact OE2-OG 3.16Å
319	C	84.3	Confident	92.9	Very high	78 Å²	78	64.1 Å²	64.1	53%	0.527	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.1	-179.7	59.3	0	0	0	0	113.4	Y395	C319-Y395 HydrophobicContact CB-CD1 4.33Å; C319-Y395 HydrophobicContact CB-CD2 4.45Å; C319-Y395 HydrophobicContact CB-CG 3.97Å
320	N	86.8	Confident	93	Very high	114 Å²	114	57.3 Å²	57.3	61%	0.61	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.9	177.9	-63	-66	0	0	0	113.1	S317 E318 R322	S317-N320 PolarHBondContact O-N 3.48Å; S317-N320 PolarHBondContact OG-ND2 3.28Å; E318-N320 PolarHBondContact O-N 3.1Å; E318-N320 VanDerWaalsContact O-N 3.12Å; N320-R322 VanDerWaalsContact C-N 3.26Å; N320-R322 HydrophobicContact CB-CB 4.39Å; N320-R322 HydrophobicContact CB-CG 3.91Å; N320-R322 VanDerWaalsContact O-CG 3.3Å; N320-R322 WeakPolarHBondContact O-CG 3.35Å; N320-R322 PolarHBondContact O-N 3.13Å
321	G	88.2	Confident	93.1	Very high	71 Å²	71	47.2 Å²	47.2	73%	0.732	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	25.4	-174.1	0	0	0	0	0	113.6	S317 E318	S317-G321 PolarHBondContact O-N 3.21Å; E318-G321 PolarHBondContact O-N 3.25Å
322	R	92.2	Very high	93.2	Very high	82 Å²	82	44.9 Å²	44.9	31%	0.309	23%	0.229	S	C	.	.			trans	-114.7	6.1	-170.2	-59.2	-157.4	67.9	102.3	23.5	114.7	Q142 K143 T144 W315 S317 N320 R324 A325	Q142-R322 PolarHBondContact O-NH2 2.83Å; K143-R322 PolarHBondContact O-NH2 2.91Å; T144-R322 VanDerWaalsContact CA-NH2 3.26Å; T144-R322 HydrophobicContact CG2-CB 4.47Å; T144-R322 VanDerWaalsContact N-NH2 3.2Å; T144-R322 PolarHBondContact OG1-NE 3.42Å; W315-R322 PolarHBondContact NE1-O 3.18Å; S317-R322 PolarHBondContact O-N 3.26Å; N320-R322 VanDerWaalsContact C-N 3.26Å; N320-R322 HydrophobicContact CB-CB 4.39Å; N320-R322 HydrophobicContact CB-CG 3.91Å; N320-R322 VanDerWaalsContact O-CG 3.3Å; N320-R322 WeakPolarHBondContact O-CG 3.35Å; N320-R322 PolarHBondContact O-N 3.13Å; R322-R324 PolarHBondContact O-N 3.21Å; R322-A325 HydrophobicContact CB-CB 4.4Å; R322-A325 WeakPolarHBondContact O-CB 3.32Å; R322-A325 PolarHBondContact O-N 3.22Å
323	S	92.1	Very high	93.2	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.084	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.3	177.4	-68.2	0	0	0	0	113.2	W315 S317 E318	W315-S323 PolarHBondContact NE1-O 3.39Å; S317-S323 VanDerWaalsContact C-OG 3.3Å; S317-S323 PolarHBondContact N-OG 3Å; S317-S323 PolarHBondContact O-N 2.89Å; E318-S323 PolarHBondContact N-OG 3.14Å; E318-S323 WeakPolarHBondContact OE1-CB 3.48Å; E318-S323 PolarHBondContact OE1-OG 3.09Å
324	R	93.6	Very high	93.3	Very high	149 Å²	149	39.9 Å²	39.9	56%	0.562	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.8	178.2	-61.8	-168	-63.9	172.1	-1	114.2	S285 L286 R322	S285-R324 CarbonylContact C-O 3.52Å; S285-R324 WeakPolarHBondContact CA-O 3.27Å; S285-R324 VanDerWaalsContact CB-O 3.27Å; S285-R324 WeakPolarHBondContact CB-O 3.47Å; L286-R324 HydrophobicContact CD2-CB 4.23Å; L286-R324 HydrophobicContact CG-CB 4.09Å; L286-R324 WeakPolarHBondContact CG-O 3.35Å; L286-R324 PolarHBondContact N-O 2.99Å; R322-R324 PolarHBondContact O-N 3.21Å
325	A	95.1	Very high	93.5	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	19%	0.185	C	C	.	.	S	Bend	trans	-91.1	124.1	174.5	0	0	0	0	0	109.4	Q142 T144 L286 W315 R322	Q142-A325 WeakPolarHBondContact O-CB 3.47Å; T144-A325 VanDerWaalsContact OG1-CB 3.25Å; T144-A325 WeakPolarHBondContact OG1-CB 3.4Å; T144-A325 PolarHBondContact OG1-O 3.07Å; L286-A325 HydrophobicContact CD1-CB 4.42Å; W315-A325 PolarHBondContact NE1-O 3.19Å; R322-A325 HydrophobicContact CB-CB 4.4Å; R322-A325 WeakPolarHBondContact O-CB 3.32Å; R322-A325 PolarHBondContact O-N 3.22Å
326	C	96.4	Very high	93.6	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.027	19%	0.189	C	C	.	.			trans	-51.7	129.7	178.7	-79.6	0	0	0	0	111.1	T144 H328	T144-C326 PolarHBondContact N-O 3.11Å; C326-H328 PolarHBondContact O-N 3.26Å
327	P	96.4	Very high	93.7	Very high	5 Å²	5	39 Å²	39	3%	0.032	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-76.1	95.8	-175.7	28.5	-33.3	0	0	0	111.6	S237 P277 L295 W315 I329	S237-P327 WeakPolarHBondContact CB-O 3.28Å; P277-P327 HydrophobicContact CB-CG 4.11Å; P277-P327 HydrophobicContact CG-CG 3.66Å; L295-P327 HydrophobicContact CD2-CG 4.23Å; W315-P327 HydrophobicContact CB-CG 4.24Å; W315-P327 HydrophobicContact CD2-CB 3.52Å; W315-P327 HydrophobicContact CD2-CG 3.8Å; W315-P327 HydrophobicContact CE3-CB 3.6Å; W315-P327 HydrophobicContact CE3-CG 4.18Å; W315-P327 HydrophobicContact CG-CB 4.08Å; W315-P327 HydrophobicContact CG-CG 3.79Å; W315-P327 HydrophobicContact CH2-CB 4.05Å; W315-P327 HydrophobicContact CZ2-CB 3.97Å; W315-P327 HydrophobicContact CZ3-CB 3.86Å; P327-I329 VanDerWaalsContact C-N 3.3Å; P327-I329 HydrophobicContact CB-CG2 4.37Å
328	H	96.5	Very high	93.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.037	23%	0.226	C	C	.	.			trans	-98.2	23	169.6	-162.9	-91.4	0	0	0	112.1	T132 N134 D139 K143 T144 Q145 C326 K330	T132-H328 WeakPolarHBondContact CB-O 3.15Å; T132-H328 PolarHBondContact O-CE1 3.12Å; T132-H328 PolarHBondContact O-ND1 2.98Å; T132-H328 VanDerWaalsContact O-ND1 3.09Å; T132-H328 PolarHBondContact OG1-O 3.48Å; N134-H328 PolarHBondContact ND2-CE1 3.5Å; N134-H328 PolarHBondContact ND2-NE2 3.21Å; D139-H328 IonicContact OD2-CE1 2.91Å; D139-H328 PolarHBondContact OD2-CE1 2.81Å; D139-H328 IonicContact OD2-ND1 3.59Å; D139-H328 IonicContact OD2-NE2 3.65Å; K143-H328 HydrophobicContact CB-CB 3.96Å; K143-H328 HydrophobicContact CD-CB 3.96Å; T144-H328 CarbonylContact O-C 3.59Å; T144-H328 WeakPolarHBondContact O-CA 3.49Å; T144-H328 PolarHBondContact O-N 3.37Å; Q145-H328 VanDerWaalsContact NE2-CB 3.31Å; Q145-H328 PolarHBondContact NE2-ND1 2.79Å; Q145-H328 VanDerWaalsContact NE2-ND1 3.15Å; Q145-H328 PolarHBondContact OE1-ND1 3.09Å; Q145-H328 PolarHBondContact OE1-O 2.92Å; C326-H328 PolarHBondContact O-N 3.26Å; H328-K330 PolarHBondContact O-NZ 3.49Å
329	I	97.5	Very high	94	Very high	21 Å²	21	39.9 Å²	39.9	11%	0.108	22%	0.219	C	C	.	.			trans	-82.6	153.9	172.9	-167.6	155.8	0	0	0	111	T132 T144 Q235 F236 W315 P327 L347	T132-I329 HydrophobicContact CG2-CG1 4.38Å; T144-I329 PolarHBondContact O-N 2.89Å; Q235-I329 HydrophobicContact CB-CG2 4.24Å; F236-I329 CarbonylContact C-O 3.59Å; F236-I329 WeakPolarHBondContact CA-O 3.29Å; W315-I329 HydrophobicContact CH2-CG2 4.08Å; W315-I329 HydrophobicContact CZ3-CG2 3.96Å; P327-I329 VanDerWaalsContact C-N 3.3Å; P327-I329 HydrophobicContact CB-CG2 4.37Å; I329-L347 HydrophobicContact CG1-CD1 4.41Å
330	K	98.4	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.			trans	-134.2	111.5	161.1	-49.8	84.4	-164.4	80	0	108.6	T132 Q235 F236 S237 H328 Y332 T348 A350 N351	T132-K330 HydrophobicContact CG2-CD 4.4Å; Q235-K330 CarbonylContact O-C 3.57Å; Q235-K330 VanDerWaalsContact O-CA 3.23Å; Q235-K330 WeakPolarHBondContact O-CA 3.46Å; F236-K330 HydrophobicContact CB-CG 4.21Å; S237-K330 WeakPolarHBondContact OG-CE 3.42Å; S237-K330 PolarHBondContact OG-NZ 2.72Å; H328-K330 PolarHBondContact O-NZ 3.49Å; K330-Y332 HydrophobicContact CB-CE2 4.39Å; K330-T348 HydrophobicContact CB-CG2 4.29Å; K330-T348 WeakPolarHBondContact CB-O 3.46Å; K330-T348 PolarHBondContact O-N 3.39Å; K330-T348 VanDerWaalsContact O-N 3.1Å; K330-A350 WeakPolarHBondContact CB-O 3.43Å; K330-N351 VanDerWaalsContact CE-OD1 3.23Å; K330-N351 WeakPolarHBondContact CE-OD1 3.23Å; K330-N351 VanDerWaalsContact CG-OD1 3.3Å; K330-N351 WeakPolarHBondContact CG-OD1 3.2Å
331	S	98.4	Very high	94.9	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.9	179.7	61.5	0	0	0	0	109.9	Q235 L346	Q235-S331 WeakPolarHBondContact CB-OG 3.3Å; Q235-S331 PolarHBondContact N-O 2.91Å; Q235-S331 PolarHBondContact O-N 3.32Å; Q235-S331 VanDerWaalsContact O-O 3.12Å; Q235-S331 PolarHBondContact OE1-OG 3.37Å; S331-L346 CarbonylContact C-O 3.56Å; S331-L346 WeakPolarHBondContact CA-O 3.3Å; S331-L346 WeakPolarHBondContact CB-O 3.38Å
332	Y	98.7	Very high	95.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137	179.8	-58.6	-101.4	0	0	0	106.5	V233 C234 F236 F254 L258 K330 W344 L346 T348 A350 L352 W357	V233-Y332 WeakPolarHBondContact O-CA 3.26Å; C234-Y332 HydrophobicContact CB-CD1 3.77Å; C234-Y332 HydrophobicContact CB-CE1 3.88Å; F236-Y332 HydrophobicContact CD1-CE1 4.45Å; F254-Y332 HydrophobicContact CE1-CD1 4.32Å; F254-Y332 HydrophobicContact CE1-CE1 4.08Å; F254-Y332 AromaticContact CZ-CD1 3.9Å; F254-Y332 HydrophobicContact CZ-CD1 3.9Å; F254-Y332 AromaticContact CZ-CE1 3.63Å; F254-Y332 HydrophobicContact CZ-CE1 3.63Å; L258-Y332 HydrophobicContact CD2-CD1 4.19Å; K330-Y332 HydrophobicContact CB-CE2 4.39Å; Y332-W344 WeakPolarHBondContact O-CZ3 3.45Å; Y332-L346 HydrophobicContact CD2-CD2 4.25Å; Y332-L346 PolarHBondContact N-O 3.2Å; Y332-L346 WeakPolarHBondContact O-CB 3.5Å; Y332-L346 PolarHBondContact O-N 2.84Å; Y332-T348 HydrophobicContact CD2-CG2 3.82Å; Y332-T348 HydrophobicContact CE2-CG2 3.59Å; Y332-A350 WeakPolarHBondContact CE2-O 3.42Å; Y332-A350 PolarHBondContact OH-O 2.99Å; Y332-L352 PolarHBondContact OH-N 2.99Å; Y332-W357 AromaticContact CD2-CZ2 3.82Å; Y332-W357 HydrophobicContact CD2-CZ2 3.82Å; Y332-W357 HydrophobicContact CE1-CZ2 4.21Å; Y332-W357 AromaticContact CE1-NE1 3.94Å; Y332-W357 AromaticContact CE2-CZ2 3.49Å; Y332-W357 HydrophobicContact CE2-CZ2 3.49Å; Y332-W357 VanDerWaalsContact CE2-CZ2 3.49Å; Y332-W357 HydrophobicContact CG-CZ2 4.35Å; Y332-W357 AromaticContact CZ-CE2 3.85Å; Y332-W357 AromaticContact CZ-CZ2 3.69Å; Y332-W357 AromaticContact CZ-NE1 3.46Å; Y332-W357 PolarHBondContact OH-NE1 2.88Å
333	L	98.2	Very high	95.5	Very high	26 Å²	26	31 Å²	31	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.3	-174.3	65.9	83.6	0	0	0	112.8	V233 C335 L342 W344 F345	V233-L333 HydrophobicContact CB-CD1 3.62Å; V233-L333 HydrophobicContact CB-CG 3.94Å; V233-L333 HydrophobicContact CG1-CD1 4.43Å; V233-L333 HydrophobicContact CG2-CD1 3.88Å; V233-L333 PolarHBondContact N-O 3.47Å; V233-L333 PolarHBondContact O-N 3.4Å; L333-C335 HydrophobicContact CD1-CB 4.08Å; L333-L342 HydrophobicContact CB-CD1 3.81Å; L333-L342 HydrophobicContact CD1-CD1 3.88Å; L333-L342 HydrophobicContact CD2-CD1 4.38Å; L333-L342 HydrophobicContact CG-CD1 4.24Å; L333-W344 WeakPolarHBondContact CA-O 3.27Å; L333-W344 WeakPolarHBondContact CB-O 3.44Å; L333-F345 HydrophobicContact CB-CD2 4Å; L333-F345 HydrophobicContact CD2-CD2 3.92Å; L333-F345 HydrophobicContact CD2-CE2 4.17Å
334	R	97	Very high	95.7	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.4	179.7	-171.6	74.8	174	155.1	7.4	109.7	V226 D227 W230 P231 P270 L342 A343 W344	V226-R334 HydrophobicContact CG1-CG 4.29Å; D227-R334 PolarHBondContact O-NH2 3.48Å; W230-R334 HydrophobicContact CE3-CG 4.46Å; W230-R334 PolarHBondContact O-NH1 3.37Å; W230-R334 PolarHBondContact O-NH2 2.81Å; P231-R334 PolarHBondContact O-NH1 2.91Å; P270-R334 VanDerWaalsContact CB-NH2 3.25Å; R334-L342 CarbonylContact O-C 3.53Å; R334-A343 HydrophobicContact CB-CB 4.09Å; R334-A343 HydrophobicContact CG-CB 3.96Å; R334-A343 PolarHBondContact O-N 3.05Å; R334-W344 VanDerWaalsContact CB-CD1 3.46Å; R334-W344 HydrophobicContact CB-CD2 3.92Å; R334-W344 VanDerWaalsContact CB-CE2 3.4Å; R334-W344 HydrophobicContact CB-CG 3.96Å; R334-W344 HydrophobicContact CB-CZ2 3.9Å; R334-W344 PolarHBondContact N-O 3.26Å; R334-W344 VanDerWaalsContact N-O 3.15Å
335	C	95	Very high	95.9	Very high	4 Å²	4	26 Å²	26	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	166.5	177.1	59.1	0	0	0	0	110.6	W230 P231 L333 F339 K341	W230-C335 CarbonylContact C-O 3.57Å; W230-C335 WeakPolarHBondContact CA-O 3.3Å; W230-C335 WeakPolarHBondContact CB-O 3.26Å; P231-C335 WeakPolarHBondContact CD-O 3.3Å; P231-C335 PolarHBondContact O-N 2.8Å; L333-C335 HydrophobicContact CD1-CB 4.08Å; C335-F339 HydrophobicContact CB-CD1 4.31Å; C335-F339 WeakPolarHBondContact SG-CD1 3.34Å; C335-F339 WeakPolarHBondContact SG-CE1 3.41Å; C335-K341 CarbonylContact C-O 3.39Å; C335-K341 WeakPolarHBondContact CA-O 3.45Å; C335-K341 VanDerWaalsContact CB-O 3.24Å; C335-K341 WeakPolarHBondContact CB-O 3.21Å
336	N	94.6	Very high	96.1	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.102	13%	0.131	C	C	.	.			trans	-78	175.8	170.1	70.1	-30.5	0	0	0	111	W230 S338 F339 D340 K341	W230-N336 HydrophobicContact CD2-CB 3.79Å; W230-N336 HydrophobicContact CE3-CB 4Å; W230-N336 VanDerWaalsContact CE3-N 3.26Å; W230-N336 HydrophobicContact CG-CB 4.39Å; W230-N336 HydrophobicContact CH2-CB 3.97Å; W230-N336 HydrophobicContact CZ2-CB 3.77Å; W230-N336 HydrophobicContact CZ3-CB 4.07Å; N336-S338 VanDerWaalsContact C-N 3.27Å; N336-S338 PolarHBondContact O-N 3.36Å; N336-F339 PolarHBondContact O-N 2.78Å; N336-F339 VanDerWaalsContact O-N 3.11Å; N336-F339 WeakPolarHBondContact OD1-CA 3.31Å; N336-F339 PolarHBondContact OD1-N 3.18Å; N336-F339 VanDerWaalsContact OD1-N 3.08Å; N336-D340 PolarHBondContact ND2-OD1 2.89Å; N336-D340 PolarHBondContact OD1-N 2.83Å; N336-D340 PolarHBondContact OD1-OD1 2.66Å; N336-K341 HydrophobicContact CB-CB 4.33Å; N336-K341 PolarHBondContact N-O 3.05Å; N336-K341 VanDerWaalsContact N-O 3.11Å; N336-K341 PolarHBondContact OD1-N 3.49Å; N336-K341 PolarHBondContact OD1-O 3.47Å
337	E	91.4	Very high	96.2	Very high	140 Å²	140	26 Å²	26	65%	0.654	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.3	-178.4	-171.5	170.9	-159.5	0	0	113.3	F339	E337-F339 VanDerWaalsContact C-N 3.34Å; E337-F339 WeakPolarHBondContact O-CD2 3.15Å; E337-F339 WeakPolarHBondContact O-CE2 3.48Å
338	S	90.8	Very high	96.2	Very high	68 Å²	68	25.9 Å²	25.9	48%	0.476	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.6	177	-52.5	0	0	0	0	114.1	N336 D340	N336-S338 VanDerWaalsContact C-N 3.27Å; N336-S338 PolarHBondContact O-N 3.36Å; S338-D340 PolarHBondContact O-N 3.27Å
339	F	91.8	Very high	96.3	Very high	31 Å²	31	25.5 Å²	25.5	14%	0.136	13%	0.129	C	C	.	.	S	Bend	trans	59	9.6	-179.1	-58.8	-95	0	0	0	116.2	P231 V233 K273 C335 N336 E337 V391 I393 P408	P231-F339 HydrophobicContact CG-CE1 4.02Å; P231-F339 HydrophobicContact CG-CZ 4Å; V233-F339 HydrophobicContact CG2-CE1 4.07Å; K273-F339 HydrophobicContact CD-CE1 4.25Å; K273-F339 HydrophobicContact CD-CZ 3.84Å; C335-F339 HydrophobicContact CB-CD1 4.31Å; C335-F339 WeakPolarHBondContact SG-CD1 3.34Å; C335-F339 WeakPolarHBondContact SG-CE1 3.41Å; N336-F339 PolarHBondContact O-N 2.78Å; N336-F339 VanDerWaalsContact O-N 3.11Å; N336-F339 WeakPolarHBondContact OD1-CA 3.31Å; N336-F339 PolarHBondContact OD1-N 3.18Å; N336-F339 VanDerWaalsContact OD1-N 3.08Å; E337-F339 VanDerWaalsContact C-N 3.34Å; E337-F339 WeakPolarHBondContact O-CD2 3.15Å; E337-F339 WeakPolarHBondContact O-CE2 3.48Å; F339-V391 WeakPolarHBondContact O-CB 3.33Å; F339-I393 WeakPolarHBondContact O-CG2 3.47Å; F339-P408 HydrophobicContact CD2-CB 3.31Å; F339-P408 HydrophobicContact CE2-CB 3.74Å; F339-P408 WeakPolarHBondContact CE2-O 3.25Å; F339-P408 VanDerWaalsContact CE2-OXT 3.27Å; F339-P408 WeakPolarHBondContact CE2-OXT 3.05Å; F339-P408 HydrophobicContact CG-CB 4.24Å
340	D	93.6	Very high	96.4	Very high	49 Å²	49	24.5 Å²	24.5	26%	0.262	12%	0.124	S	C	.	.	S	Bend	trans	-88.7	-4.6	177.1	70.2	-21.7	0	0	0	113	N336 S338 I390 V391 I393	N336-D340 PolarHBondContact ND2-OD1 2.89Å; N336-D340 PolarHBondContact OD1-N 2.83Å; N336-D340 PolarHBondContact OD1-OD1 2.66Å; S338-D340 PolarHBondContact O-N 3.27Å; D340-I390 WeakPolarHBondContact O-CA 3.16Å; D340-V391 PolarHBondContact O-N 3.32Å; D340-I393 HydrophobicContact CB-CD1 3.83Å; D340-I393 HydrophobicContact CB-CG1 4.07Å; D340-I393 HydrophobicContact CB-CG2 4.16Å
341	K	96.3	Very high	96.4	Very high	82 Å²	82	25.2 Å²	25.2	36%	0.357	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	177.3	-66.8	179.9	-177.3	-177.9	0	112.1	W230 C335 N336 P388 W389 I390	W230-K341 HydrophobicContact CH2-CB 3.94Å; W230-K341 HydrophobicContact CZ3-CB 4.32Å; C335-K341 CarbonylContact C-O 3.39Å; C335-K341 WeakPolarHBondContact CA-O 3.45Å; C335-K341 VanDerWaalsContact CB-O 3.24Å; C335-K341 WeakPolarHBondContact CB-O 3.21Å; N336-K341 HydrophobicContact CB-CB 4.33Å; N336-K341 PolarHBondContact N-O 3.05Å; N336-K341 VanDerWaalsContact N-O 3.11Å; N336-K341 PolarHBondContact OD1-N 3.49Å; N336-K341 PolarHBondContact OD1-O 3.47Å; K341-P388 HydrophobicContact CB-CB 4.13Å; K341-P388 HydrophobicContact CB-CG 4.29Å; K341-P388 HydrophobicContact CD-CG 4.03Å; K341-P388 HydrophobicContact CG-CG 4.41Å; K341-W389 CarbonylContact C-O 3.43Å; K341-W389 VanDerWaalsContact CA-O 3.3Å; K341-W389 WeakPolarHBondContact CA-O 3.14Å; K341-I390 HydrophobicContact CG-CD1 4.19Å
342	L	96.7	Very high	96.4	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.136	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.4	-177	-178.6	67.7	0	0	0	110.5	L333 R334 W344 F345 P388 W389 V391	L333-L342 HydrophobicContact CB-CD1 3.81Å; L333-L342 HydrophobicContact CD1-CD1 3.88Å; L333-L342 HydrophobicContact CD2-CD1 4.38Å; L333-L342 HydrophobicContact CG-CD1 4.24Å; R334-L342 CarbonylContact O-C 3.53Å; L342-W344 WeakPolarHBondContact CD1-O 3.35Å; L342-F345 HydrophobicContact CD2-CB 4.18Å; L342-P388 WeakPolarHBondContact O-CA 3.47Å; L342-W389 HydrophobicContact CB-CB 4.32Å; L342-W389 HydrophobicContact CB-CE3 4.3Å; L342-W389 HydrophobicContact CD2-CE3 3.75Å; L342-W389 HydrophobicContact CD2-CZ3 4.29Å; L342-W389 HydrophobicContact CG-CE3 3.87Å; L342-W389 HydrophobicContact CG-CZ3 4.41Å; L342-W389 PolarHBondContact N-O 2.93Å; L342-W389 PolarHBondContact O-N 3.08Å; L342-V391 HydrophobicContact CB-CG2 3.7Å
343	A	96.8	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-38	179.8	0	0	0	0	0	112.5	L222 V224 V226 W230 R334 P380	L222-A343 HydrophobicContact CD1-CB 4.36Å; L222-A343 VanDerWaalsContact CD1-O 3.26Å; L222-A343 WeakPolarHBondContact CD1-O 3.29Å; V224-A343 HydrophobicContact CB-CB 4.11Å; V224-A343 HydrophobicContact CG1-CB 3.74Å; V226-A343 HydrophobicContact CG1-CB 3.53Å; W230-A343 HydrophobicContact CE3-CB 4Å; W230-A343 HydrophobicContact CZ3-CB 3.71Å; R334-A343 HydrophobicContact CB-CB 4.09Å; R334-A343 HydrophobicContact CG-CB 3.96Å; R334-A343 PolarHBondContact O-N 3.05Å; A343-P380 WeakPolarHBondContact O-CD 3.39Å
344	W	97.2	Very high	96.4	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.8	174.8	57.9	-96.6	0	0	0	111.8	L218 L222 L232 L258 Y332 L333 R334 L342 L346 L377 L379	L218-W344 HydrophobicContact CD1-CZ2 4.03Å; L218-W344 HydrophobicContact CD2-CB 4.36Å; L218-W344 HydrophobicContact CD2-CD2 3.93Å; L218-W344 HydrophobicContact CD2-CG 3.75Å; L222-W344 HydrophobicContact CD1-CB 4.22Å; L222-W344 HydrophobicContact CD1-CG 4.47Å; L222-W344 VanDerWaalsContact CD2-CD1 3.49Å; L232-W344 HydrophobicContact CD1-CH2 3.69Å; L232-W344 HydrophobicContact CD1-CZ2 3.8Å; L258-W344 HydrophobicContact CB-CH2 4.49Å; L258-W344 HydrophobicContact CB-CZ2 4.41Å; L258-W344 HydrophobicContact CD2-CH2 4.24Å; L258-W344 HydrophobicContact CG-CH2 4.42Å; L258-W344 WeakPolarHBondContact O-CZ2 3.03Å; Y332-W344 WeakPolarHBondContact O-CZ3 3.45Å; L333-W344 WeakPolarHBondContact CA-O 3.27Å; L333-W344 WeakPolarHBondContact CB-O 3.44Å; R334-W344 VanDerWaalsContact CB-CD1 3.46Å; R334-W344 HydrophobicContact CB-CD2 3.92Å; R334-W344 VanDerWaalsContact CB-CE2 3.4Å; R334-W344 HydrophobicContact CB-CG 3.96Å; R334-W344 HydrophobicContact CB-CZ2 3.9Å; R334-W344 PolarHBondContact N-O 3.26Å; R334-W344 VanDerWaalsContact N-O 3.15Å; L342-W344 WeakPolarHBondContact CD1-O 3.35Å; W344-L346 HydrophobicContact CE3-CB 4.39Å; W344-L346 HydrophobicContact CZ3-CB 4.07Å; W344-L377 HydrophobicContact CB-CD1 4.24Å; W344-L377 HydrophobicContact CD2-CD1 4.35Å; W344-L377 HydrophobicContact CE3-CD1 3.86Å; W344-L379 HydrophobicContact CB-CD2 3.47Å; W344-L379 VanDerWaalsContact CB-CD2 3.47Å; W344-L379 HydrophobicContact CG-CD2 4.37Å
345	F	97.6	Very high	96.4	Very high	56 Å²	56	28.8 Å²	28.8	25%	0.246	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.7	179	178.8	-98.7	0	0	0	111.1	L333 L342 L347 Y378 W389	L333-F345 HydrophobicContact CB-CD2 4Å; L333-F345 HydrophobicContact CD2-CD2 3.92Å; L333-F345 HydrophobicContact CD2-CE2 4.17Å; L342-F345 HydrophobicContact CD2-CB 4.18Å; F345-L347 HydrophobicContact CE1-CB 3.96Å; F345-L347 HydrophobicContact CZ-CB 4.49Å; F345-Y378 AromaticContact CD1-CD2 3.87Å; F345-Y378 HydrophobicContact CD1-CD2 3.87Å; F345-Y378 HydrophobicContact CD1-CE2 4.37Å; F345-Y378 PolarHBondContact N-O 3.2Å; F345-Y378 PolarHBondContact O-N 3.12Å; F345-W389 HydrophobicContact CB-CZ3 4.38Å
346	L	98.3	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	177.4	172.4	64.1	0	0	0	109.5	V194 L214 S331 Y332 W344 T348 W357 V376 L377	V194-L346 HydrophobicContact CB-CD1 4.2Å; V194-L346 HydrophobicContact CG2-CD1 4.09Å; L214-L346 HydrophobicContact CD1-CD2 4.34Å; L214-L346 HydrophobicContact CD2-CD2 3.53Å; S331-L346 CarbonylContact C-O 3.56Å; S331-L346 WeakPolarHBondContact CA-O 3.3Å; S331-L346 WeakPolarHBondContact CB-O 3.38Å; Y332-L346 HydrophobicContact CD2-CD2 4.25Å; Y332-L346 PolarHBondContact N-O 3.2Å; Y332-L346 WeakPolarHBondContact O-CB 3.5Å; Y332-L346 PolarHBondContact O-N 2.84Å; W344-L346 HydrophobicContact CE3-CB 4.39Å; W344-L346 HydrophobicContact CZ3-CB 4.07Å; L346-T348 HydrophobicContact CG-CG2 4.39Å; L346-W357 HydrophobicContact CD2-CH2 3.6Å; L346-W357 HydrophobicContact CD2-CZ2 4.32Å; L346-V376 WeakPolarHBondContact CA-O 3.23Å; L346-V376 VanDerWaalsContact CD1-C 3.47Å; L346-V376 WeakPolarHBondContact CD1-O 3.21Å; L346-L377 HydrophobicContact CB-CD1 4.31Å; L346-L377 HydrophobicContact CD1-CB 4.17Å
347	L	98.2	Very high	96.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.9	167.4	-176.2	71.4	0	0	0	109.1	T132 A148 I329 F345 G375 V376	T132-L347 HydrophobicContact CG2-CD1 3.68Å; T132-L347 HydrophobicContact CG2-CG 4.33Å; A148-L347 HydrophobicContact CB-CD2 3.95Å; I329-L347 HydrophobicContact CG1-CD1 4.41Å; F345-L347 HydrophobicContact CE1-CB 3.96Å; F345-L347 HydrophobicContact CZ-CB 4.49Å; L347-G375 CarbonylContact O-C 3.54Å; L347-G375 WeakPolarHBondContact O-CA 3.31Å; L347-V376 HydrophobicContact CB-CG2 4.31Å; L347-V376 PolarHBondContact N-O 3.38Å; L347-V376 PolarHBondContact O-N 3.16Å
348	T	98.3	Very high	97.1	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	166.1	-174.5	-176.9	0	0	0	0	112.6	T132 K330 Y332 L346 A350 W357 V374	T132-T348 WeakPolarHBondContact CG2-O 3.04Å; K330-T348 HydrophobicContact CB-CG2 4.29Å; K330-T348 WeakPolarHBondContact CB-O 3.46Å; K330-T348 PolarHBondContact O-N 3.39Å; K330-T348 VanDerWaalsContact O-N 3.1Å; Y332-T348 HydrophobicContact CD2-CG2 3.82Å; Y332-T348 HydrophobicContact CE2-CG2 3.59Å; L346-T348 HydrophobicContact CG-CG2 4.39Å; T348-A350 VanDerWaalsContact C-N 3.33Å; T348-A350 HydrophobicContact CG2-CB 3.88Å; T348-A350 PolarHBondContact OG1-N 2.84Å; T348-A350 VanDerWaalsContact OG1-N 3.09Å; T348-W357 HydrophobicContact CG2-CH2 4.37Å; T348-W357 HydrophobicContact CG2-CZ2 4.04Å; T348-V374 CarbonylContact C-O 3.46Å; T348-V374 VanDerWaalsContact CA-O 3.29Å; T348-V374 WeakPolarHBondContact CA-O 3.21Å; T348-V374 PolarHBondContact OG1-O 3.13Å
349	S	98.1	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-78.1	-17.4	163.6	63.6	0	0	0	0	112.9	H114 N351 E373 V374	H114-S349 PolarHBondContact CE1-O 3.17Å; H114-S349 PolarHBondContact ND1-O 2.91Å; H114-S349 WeakPolarHBondContact O-CB 3.24Å; H114-S349 PolarHBondContact O-OG 3.14Å; S349-N351 PolarHBondContact O-N 2.91Å; S349-E373 VanDerWaalsContact CB-OE2 3.27Å; S349-E373 WeakPolarHBondContact CB-OE2 3.33Å; S349-E373 WeakPolarHBondContact OG-CA 3.4Å; S349-E373 PolarHBondContact OG-OE2 2.67Å; S349-V374 PolarHBondContact N-O 3.22Å; S349-V374 PolarHBondContact OG-N 2.8Å; S349-V374 PolarHBondContact OG-O 2.95Å
350	A	98.5	Very high	97.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.098	C	C	.	.			trans	-69.2	114	-172	0	0	0	0	0	113.7	K330 Y332 T348 A356 W357 E373	K330-A350 WeakPolarHBondContact CB-O 3.43Å; Y332-A350 WeakPolarHBondContact CE2-O 3.42Å; Y332-A350 PolarHBondContact OH-O 2.99Å; T348-A350 VanDerWaalsContact C-N 3.33Å; T348-A350 HydrophobicContact CG2-CB 3.88Å; T348-A350 PolarHBondContact OG1-N 2.84Å; T348-A350 VanDerWaalsContact OG1-N 3.09Å; A350-A356 HydrophobicContact CB-CB 4.1Å; A350-W357 HydrophobicContact CB-CD2 4.27Å; A350-W357 HydrophobicContact CB-CH2 4.26Å; A350-W357 HydrophobicContact CB-CZ2 3.63Å; A350-E373 HydrophobicContact CB-CB 3.97Å; A350-E373 HydrophobicContact CB-CG 3.84Å; A350-E373 PolarHBondContact N-OE2 2.81Å
351	N	98.6	Very high	98	Very high	15 Å²	15	20.2 Å²	20.2	8%	0.08	10%	0.099	C	C	.	.			trans	-74.7	167.9	167.2	-78.9	-54.9	0	0	0	111.8	H114 S237 S238 K330 S349 S353 W357	H114-N351 PolarHBondContact CE1-ND2 2.8Å; S237-N351 PolarHBondContact N-OD1 3.04Å; S238-N351 PolarHBondContact N-OD1 3.27Å; K330-N351 VanDerWaalsContact CE-OD1 3.23Å; K330-N351 WeakPolarHBondContact CE-OD1 3.23Å; K330-N351 VanDerWaalsContact CG-OD1 3.3Å; K330-N351 WeakPolarHBondContact CG-OD1 3.2Å; S349-N351 PolarHBondContact O-N 2.91Å; N351-S353 PolarHBondContact O-N 2.8Å; N351-W357 VanDerWaalsContact O-CD1 3.27Å; N351-W357 PolarHBondContact O-NE1 2.9Å
352	L	98.6	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-73.7	90.5	178.6	-173.7	68.7	0	0	0	110.9	F236 S238 G240 L242 W249 L250 F254 L274 Y332	F236-L352 HydrophobicContact CD1-CB 3.62Å; F236-L352 HydrophobicContact CD1-CD2 4.45Å; F236-L352 HydrophobicContact CD2-CB 3.9Å; F236-L352 HydrophobicContact CE1-CB 3.71Å; F236-L352 HydrophobicContact CE1-CD2 3.66Å; F236-L352 HydrophobicContact CE1-CG 4.16Å; F236-L352 HydrophobicContact CE2-CB 4.01Å; F236-L352 HydrophobicContact CE2-CD2 4.1Å; F236-L352 HydrophobicContact CG-CB 3.72Å; F236-L352 HydrophobicContact CZ-CB 3.89Å; F236-L352 HydrophobicContact CZ-CD2 3.44Å; F236-L352 VanDerWaalsContact CZ-CD2 3.44Å; F236-L352 HydrophobicContact CZ-CG 4.27Å; S238-L352 PolarHBondContact O-N 3.27Å; G240-L352 PolarHBondContact N-O 3.47Å; L242-L352 HydrophobicContact CD1-CD2 3.64Å; L242-L352 HydrophobicContact CD1-CG 3.87Å; L242-L352 HydrophobicContact CD2-CG 4.39Å; W249-L352 HydrophobicContact CH2-CD1 4.19Å; W249-L352 HydrophobicContact CZ3-CD1 3.95Å; W249-L352 HydrophobicContact CZ3-CG 4.45Å; L250-L352 HydrophobicContact CD1-CD1 4.49Å; F254-L352 HydrophobicContact CD1-CD1 4.02Å; F254-L352 HydrophobicContact CE1-CD1 3.68Å; F254-L352 HydrophobicContact CZ-CD1 4.21Å; L274-L352 HydrophobicContact CD1-CD2 3.98Å; L274-L352 HydrophobicContact CD2-CD2 4.05Å; Y332-L352 PolarHBondContact OH-N 2.99Å
353	S	98.4	Very high	97.8	Very high	19 Å²	19	29.3 Å²	29.3	13%	0.133	15%	0.145	C	C	.	.	S	Bend	trans	-156.4	155.2	176.4	73.7	0	0	0	0	112.8	N351 A355 A356 W357	N351-S353 PolarHBondContact O-N 2.8Å; S353-A355 PolarHBondContact O-N 2.76Å; S353-A355 PolarHBondContact OG-N 3.08Å; S353-A356 PolarHBondContact O-N 2.93Å; S353-A356 VanDerWaalsContact OG-CB 3.31Å; S353-A356 WeakPolarHBondContact OG-CB 3.35Å; S353-A356 PolarHBondContact OG-N 2.92Å; S353-W357 WeakPolarHBondContact O-CB 3.36Å; S353-W357 PolarHBondContact O-N 3.13Å
354	K	98.5	Very high	97.7	Very high	64 Å²	64	32 Å²	32	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-30.1	168.9	-58.1	-170.1	-179.2	-159.1	0	112.8	L242 W249 G358	L242-K354 WeakPolarHBondContact O-CE 3.25Å; L242-K354 PolarHBondContact O-NZ 2.95Å; W249-K354 HydrophobicContact CD2-CG 3.95Å; W249-K354 HydrophobicContact CG-CD 4.28Å; W249-K354 VanDerWaalsContact CG-CE 3.47Å; W249-K354 HydrophobicContact CG-CG 4.12Å; W249-K354 HydrophobicContact CZ2-CG 4.15Å; K354-G358 CarbonylContact O-C 3.57Å; K354-G358 WeakPolarHBondContact O-CA 3.48Å; K354-G358 PolarHBondContact O-N 3.21Å
355	A	98	Very high	97.7	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-43.5	179.7	0	0	0	0	0	111.5	S353 R370 S371	S353-A355 PolarHBondContact O-N 2.76Å; S353-A355 PolarHBondContact OG-N 3.08Å; A355-R370 HydrophobicContact CB-CB 3.97Å; A355-R370 HydrophobicContact CB-CG 4.47Å; A355-R370 PolarHBondContact O-N 3.37Å; A355-S371 PolarHBondContact O-N 3Å
356	A	98.3	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-76.8	-51.8	178.7	0	0	0	0	0	112.1	S196 A350 S353 E373	S196-A356 WeakPolarHBondContact CB-O 2.96Å; S196-A356 PolarHBondContact OG-O 3.03Å; A350-A356 HydrophobicContact CB-CB 4.1Å; S353-A356 PolarHBondContact O-N 2.93Å; S353-A356 VanDerWaalsContact OG-CB 3.31Å; S353-A356 WeakPolarHBondContact OG-CB 3.35Å; S353-A356 PolarHBondContact OG-N 2.92Å; A356-E373 HydrophobicContact CB-CG 3.85Å; A356-E373 WeakPolarHBondContact CB-OE1 3.31Å
357	W	98.7	Very high	97.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-90.2	-23.7	-171.1	-75.7	111.7	0	0	0	114.7	V194 G210 H211 L214 W249 F254 Y332 L346 T348 A350 N351 S353	V194-W357 HydrophobicContact CG1-CZ3 4.28Å; G210-W357 CarbonylContact C-O 3.5Å; G210-W357 VanDerWaalsContact CA-O 3.25Å; G210-W357 WeakPolarHBondContact CA-O 3.19Å; H211-W357 HydrophobicContact CB-CB 4.36Å; H211-W357 HydrophobicContact CB-CE3 3.99Å; H211-W357 PolarHBondContact CD2-O 2.78Å; H211-W357 PolarHBondContact N-O 3.3Å; L214-W357 HydrophobicContact CD2-CH2 4.33Å; L214-W357 HydrophobicContact CD2-CZ3 4.31Å; W249-W357 HydrophobicContact CH2-CB 4.32Å; W249-W357 HydrophobicContact CZ2-CB 4Å; F254-W357 HydrophobicContact CD2-CB 4.18Å; F254-W357 HydrophobicContact CD2-CD2 4.48Å; F254-W357 HydrophobicContact CD2-CG 4.11Å; F254-W357 HydrophobicContact CE2-CB 4.03Å; F254-W357 AromaticContact CE2-CD1 3.67Å; F254-W357 AromaticContact CE2-CD2 3.54Å; F254-W357 HydrophobicContact CE2-CD2 3.54Å; F254-W357 AromaticContact CE2-CE2 3.8Å; F254-W357 HydrophobicContact CE2-CE3 4.11Å; F254-W357 AromaticContact CE2-CG 3.47Å; F254-W357 HydrophobicContact CE2-CG 3.47Å; F254-W357 VanDerWaalsContact CE2-CG 3.47Å; F254-W357 AromaticContact CE2-NE1 3.83Å; F254-W357 HydrophobicContact CZ-CD2 4.24Å; F254-W357 HydrophobicContact CZ-CG 4.26Å; F254-W357 AromaticContact CZ-NE1 3.87Å; Y332-W357 AromaticContact CD2-CZ2 3.82Å; Y332-W357 HydrophobicContact CD2-CZ2 3.82Å; Y332-W357 HydrophobicContact CE1-CZ2 4.21Å; Y332-W357 AromaticContact CE1-NE1 3.94Å; Y332-W357 AromaticContact CE2-CZ2 3.49Å; Y332-W357 HydrophobicContact CE2-CZ2 3.49Å; Y332-W357 VanDerWaalsContact CE2-CZ2 3.49Å; Y332-W357 HydrophobicContact CG-CZ2 4.35Å; Y332-W357 AromaticContact CZ-CE2 3.85Å; Y332-W357 AromaticContact CZ-CZ2 3.69Å; Y332-W357 AromaticContact CZ-NE1 3.46Å; Y332-W357 PolarHBondContact OH-NE1 2.88Å; L346-W357 HydrophobicContact CD2-CH2 3.6Å; L346-W357 HydrophobicContact CD2-CZ2 4.32Å; T348-W357 HydrophobicContact CG2-CH2 4.37Å; T348-W357 HydrophobicContact CG2-CZ2 4.04Å; A350-W357 HydrophobicContact CB-CD2 4.27Å; A350-W357 HydrophobicContact CB-CH2 4.26Å; A350-W357 HydrophobicContact CB-CZ2 3.63Å; N351-W357 VanDerWaalsContact O-CD1 3.27Å; N351-W357 PolarHBondContact O-NE1 2.9Å; S353-W357 WeakPolarHBondContact O-CB 3.36Å; S353-W357 PolarHBondContact O-N 3.13Å
358	G	98.3	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	97.1	166.4	-173.1	0	0	0	0	0	113.7	H211 W249 K354 F368	H211-G358 PolarHBondContact CD2-O 2.89Å; H211-G358 PolarHBondContact NE2-O 3.1Å; W249-G358 PolarHBondContact NE1-O 3.44Å; K354-G358 CarbonylContact O-C 3.57Å; K354-G358 WeakPolarHBondContact O-CA 3.48Å; K354-G358 PolarHBondContact O-N 3.21Å; G358-F368 CarbonylContact C-O 3.18Å; G358-F368 WeakPolarHBondContact CA-O 3.42Å
359	S	98.5	Very high	97.7	Very high	19 Å²	19	33.5 Å²	33.5	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.9	170.3	-171.3	0	0	0	0	108.9	E253 F368	E253-S359 WeakPolarHBondContact OE2-CA 3.27Å; E253-S359 PolarHBondContact OE2-OG 3.43Å; E253-S359 VanDerWaalsContact OE2-OG 3.09Å; S359-F368 PolarHBondContact N-O 3.34Å; S359-F368 VanDerWaalsContact N-O 3.1Å; S359-F368 PolarHBondContact O-N 3.47Å
360	Y	98.2	Very high	97.6	Very high	50 Å²	50	37.1 Å²	37.1	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.4	177.2	-67.3	-53.3	0	0	0	111.3	M206 H211 Q215 E253 A364 Q366 I367	M206-Y360 HydrophobicContact CE-CD1 3.75Å; M206-Y360 HydrophobicContact CE-CE1 3.67Å; H211-Y360 AromaticContact CE1-CE2 3.59Å; H211-Y360 AromaticContact CE1-CZ 3.57Å; Q215-Y360 PolarHBondContact OE1-OH 3.24Å; E253-Y360 HydrophobicContact CB-CD2 4.29Å; E253-Y360 HydrophobicContact CG-CD2 3.92Å; E253-Y360 PolarHBondContact OE2-N 3.33Å; Y360-A364 HydrophobicContact CD1-CB 4.26Å; Y360-A364 HydrophobicContact CD2-CB 4.37Å; Y360-A364 HydrophobicContact CG-CB 4Å; Y360-Q366 CarbonylContact C-O 3.37Å; Y360-Q366 WeakPolarHBondContact CA-O 3.46Å; Y360-I367 HydrophobicContact CD1-CB 4.01Å; Y360-I367 HydrophobicContact CD1-CG1 4.31Å; Y360-I367 HydrophobicContact CE1-CB 4.17Å; Y360-I367 HydrophobicContact CE1-CD1 4.24Å; Y360-I367 HydrophobicContact CE1-CG1 4.43Å
361	E	97.2	Very high	97.6	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.4	172.7	-66.6	-172.6	154.3	0	0	109	R200 N363 A364 T365 Q366 F368	R200-E361 IonicContact CZ-OE2 2.66Å; R200-E361 IonicContact NE-OE2 3.72Å; R200-E361 PolarHBondContact NE-OE2 3.04Å; R200-E361 IonicContact NH2-OE1 2.76Å; R200-E361 IonicContact NH2-OE2 3.63Å; E361-N363 PolarHBondContact O-N 2.67Å; E361-A364 PolarHBondContact O-N 2.91Å; E361-T365 PolarHBondContact O-N 3.38Å; E361-Q366 PolarHBondContact N-O 3Å; E361-Q366 PolarHBondContact O-N 2.82Å; E361-Q366 PolarHBondContact OE2-NE2 2.68Å; E361-F368 HydrophobicContact CG-CB 4.04Å; E361-F368 WeakPolarHBondContact OE1-CD1 3.26Å
362	K	95.6	Very high	97.4	Very high	133 Å²	133	36.8 Å²	36.8	58%	0.578	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	55.7	173	-57.1	175.1	-178.4	169.2	0	113.1	A364 T365	K362-A364 VanDerWaalsContact C-N 3.33Å; K362-A364 PolarHBondContact O-N 3.08Å; K362-T365 WeakPolarHBondContact CB-OG1 3.32Å; K362-T365 WeakPolarHBondContact O-CB 3.22Å; K362-T365 WeakPolarHBondContact O-CG2 3.46Å; K362-T365 PolarHBondContact O-N 3.09Å; K362-T365 PolarHBondContact O-OG1 3.28Å
363	N	93.9	Very high	97.4	Very high	166 Å²	166	37.1 Å²	37.1	89%	0.888	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	44.1	-178.7	-56.3	-27.7	0	0	0	113.3	E361 T365	E361-N363 PolarHBondContact O-N 2.67Å; N363-T365 PolarHBondContact O-N 2.95Å; N363-T365 VanDerWaalsContact O-N 3.16Å
364	A	94.6	Very high	97.2	Very high	56 Å²	56	36.2 Å²	36.2	46%	0.463	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	23.8	-179.3	0	0	0	0	0	115.2	M206 Y360 E361 K362 Q366	M206-A364 WeakPolarHBondContact CE-O 3.29Å; Y360-A364 HydrophobicContact CD1-CB 4.26Å; Y360-A364 HydrophobicContact CD2-CB 4.37Å; Y360-A364 HydrophobicContact CG-CB 4Å; E361-A364 PolarHBondContact O-N 2.91Å; K362-A364 VanDerWaalsContact C-N 3.33Å; K362-A364 PolarHBondContact O-N 3.08Å; A364-Q366 VanDerWaalsContact C-N 3.25Å
365	T	97	Very high	97.1	Very high	83 Å²	83	33.2 Å²	33.2	51%	0.509	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.4	168	61.2	0	0	0	0	112.7	E361 K362 N363	E361-T365 PolarHBondContact O-N 3.38Å; K362-T365 WeakPolarHBondContact CB-OG1 3.32Å; K362-T365 WeakPolarHBondContact O-CB 3.22Å; K362-T365 WeakPolarHBondContact O-CG2 3.46Å; K362-T365 PolarHBondContact O-N 3.09Å; K362-T365 PolarHBondContact O-OG1 3.28Å; N363-T365 PolarHBondContact O-N 2.95Å; N363-T365 VanDerWaalsContact O-N 3.16Å
366	Q	97.6	Very high	96.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	146.9	-179.4	-170.2	-159.9	-69.6	0	0	110.3	R200 H201 Q202 M206 Y360 E361 A364	R200-Q366 HydrophobicContact CB-CG 4.08Å; R200-Q366 VanDerWaalsContact CB-NE2 3.33Å; H201-Q366 CarbonylContact O-C 3.52Å; H201-Q366 VanDerWaalsContact O-CA 3.26Å; H201-Q366 WeakPolarHBondContact O-CA 3.43Å; H201-Q366 VanDerWaalsContact O-CG 3.23Å; H201-Q366 WeakPolarHBondContact O-CG 3.35Å; Q202-Q366 HydrophobicContact CG-CB 4.03Å; Q202-Q366 HydrophobicContact CG-CG 3.69Å; M206-Q366 VanDerWaalsContact CE-C 3.49Å; Y360-Q366 CarbonylContact C-O 3.37Å; Y360-Q366 WeakPolarHBondContact CA-O 3.46Å; E361-Q366 PolarHBondContact N-O 3Å; E361-Q366 PolarHBondContact O-N 2.82Å; E361-Q366 PolarHBondContact OE2-NE2 2.68Å; A364-Q366 VanDerWaalsContact C-N 3.25Å
367	I	98.1	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.5	165.9	-171.4	171.3	0	0	0	109.8	H201 M206 A212 Y360 I369	H201-I367 HydrophobicContact CB-CG2 3.86Å; H201-I367 PolarHBondContact N-O 3Å; H201-I367 PolarHBondContact O-N 2.67Å; M206-I367 HydrophobicContact CB-CG2 4.13Å; M206-I367 HydrophobicContact CE-CB 4.26Å; M206-I367 HydrophobicContact CG-CG2 4.14Å; A212-I367 HydrophobicContact CB-CD1 3.85Å; Y360-I367 HydrophobicContact CD1-CB 4.01Å; Y360-I367 HydrophobicContact CD1-CG1 4.31Å; Y360-I367 HydrophobicContact CE1-CB 4.17Å; Y360-I367 HydrophobicContact CE1-CD1 4.24Å; Y360-I367 HydrophobicContact CE1-CG1 4.43Å; I367-I369 HydrophobicContact CG1-CG1 4.41Å
368	F	98.3	Very high	96.4	Very high	15 Å²	15	34.7 Å²	34.7	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.3	-180	-178.9	-148.9	0	0	0	111.4	I108 G199 R200 G358 S359 E361 R370	I108-F368 HydrophobicContact CD1-CE2 3.7Å; I108-F368 HydrophobicContact CG1-CE2 4.16Å; I108-F368 HydrophobicContact CG2-CE2 3.9Å; I108-F368 HydrophobicContact CG2-CZ 3.61Å; G199-F368 WeakPolarHBondContact O-CD2 3.45Å; R200-F368 HydrophobicContact CG-CB 4.43Å; R200-F368 HydrophobicContact CG-CD2 3.64Å; R200-F368 HydrophobicContact CG-CE2 4.13Å; R200-F368 HydrophobicContact CG-CG 4.2Å; G358-F368 CarbonylContact C-O 3.18Å; G358-F368 WeakPolarHBondContact CA-O 3.42Å; S359-F368 PolarHBondContact N-O 3.34Å; S359-F368 VanDerWaalsContact N-O 3.1Å; S359-F368 PolarHBondContact O-N 3.47Å; E361-F368 HydrophobicContact CG-CB 4.04Å; E361-F368 WeakPolarHBondContact OE1-CD1 3.26Å; F368-R370 HydrophobicContact CE1-CG 4.41Å; F368-R370 VanDerWaalsContact CE1-CZ 3.4Å; F368-R370 HydrophobicContact CE2-CG 4.34Å; F368-R370 HydrophobicContact CZ-CG 4.11Å
369	I	98.1	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.9	179.7	-64.4	171.1	0	0	0	108.6	V197 P198 G199 W209 I367 S371	V197-I369 WeakPolarHBondContact O-CB 3.13Å; V197-I369 WeakPolarHBondContact O-CG2 3.49Å; P198-I369 CarbonylContact C-O 3.58Å; P198-I369 WeakPolarHBondContact CA-O 3.48Å; G199-I369 PolarHBondContact N-O 2.92Å; G199-I369 PolarHBondContact O-N 3.08Å; W209-I369 HydrophobicContact CB-CD1 3.45Å; W209-I369 VanDerWaalsContact CB-CD1 3.45Å; I367-I369 HydrophobicContact CG1-CG1 4.41Å; I369-S371 WeakPolarHBondContact CG2-O 3.33Å
370	R	97.4	Very high	96	Very high	76 Å²	76	33.9 Å²	33.9	29%	0.287	17%	0.17	S	C	.	.			trans	-115.4	-25.5	-177.4	-53.5	-175.7	174	-108	4.6	113.9	I108 P109 G111 P198 A355 F368	I108-R370 HydrophobicContact CG2-CB 4.09Å; I108-R370 HydrophobicContact CG2-CG 3.78Å; P109-R370 PolarHBondContact O-NH1 3.34Å; G111-R370 WeakPolarHBondContact CA-O 3.4Å; P198-R370 WeakPolarHBondContact CB-O 3.34Å; P198-R370 WeakPolarHBondContact CG-O 3.47Å; A355-R370 HydrophobicContact CB-CB 3.97Å; A355-R370 HydrophobicContact CB-CG 4.47Å; A355-R370 PolarHBondContact O-N 3.37Å; F368-R370 HydrophobicContact CE1-CG 4.41Å; F368-R370 VanDerWaalsContact CE1-CZ 3.4Å; F368-R370 HydrophobicContact CE2-CG 4.34Å; F368-R370 HydrophobicContact CZ-CG 4.11Å
371	S	96.7	Very high	95.5	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	17%	0.17	C	C	.	.	S	Bend	trans	-115.1	152	-173.8	-61.8	0	0	0	0	112.3	S112 S196 A355 I369	S112-S371 PolarHBondContact N-OG 3.43Å; S112-S371 VanDerWaalsContact N-OG 3.09Å; S112-S371 CarbonylContact O-C 3.43Å; S112-S371 VanDerWaalsContact O-CA 3.25Å; S112-S371 WeakPolarHBondContact O-CA 3.45Å; S112-S371 WeakPolarHBondContact O-CB 3.34Å; S196-S371 WeakPolarHBondContact CB-O 2.98Å; A355-S371 PolarHBondContact O-N 3Å; I369-S371 WeakPolarHBondContact CG2-O 3.33Å
372	F	96.4	Very high	95	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-81.5	128.1	165	-71.4	-79.5	0	0	0	110.1	P105 L106 S112 H113 H114 S115 L164 M168 S196 V197 P198	P105-F372 HydrophobicContact CG-CE2 4.38Å; P105-F372 HydrophobicContact CG-CZ 4.36Å; P105-F372 VanDerWaalsContact O-CE2 3.29Å; P105-F372 WeakPolarHBondContact O-CE2 3.45Å; L106-F372 HydrophobicContact CD2-CD2 4.22Å; L106-F372 HydrophobicContact CD2-CE2 4.46Å; S112-F372 PolarHBondContact O-N 2.9Å; H113-F372 AromaticContact CD2-CD2 3.8Å; H114-F372 CarbonylContact C-O 3.56Å; H114-F372 WeakPolarHBondContact CA-O 3.48Å; H114-F372 PolarHBondContact N-O 3.33Å; S115-F372 PolarHBondContact N-O 2.84Å; S115-F372 WeakPolarHBondContact OG-CB 3.45Å; S115-F372 PolarHBondContact OG-O 3.08Å; L164-F372 HydrophobicContact CD1-CD1 4.35Å; M168-F372 HydrophobicContact CE-CB 4.48Å; M168-F372 HydrophobicContact CG-CD1 3.56Å; M168-F372 HydrophobicContact CG-CE1 3.65Å; M168-F372 HydrophobicContact CG-CG 4.14Å; M168-F372 HydrophobicContact CG-CZ 4.29Å; S196-F372 VanDerWaalsContact O-CA 3.26Å; S196-F372 WeakPolarHBondContact O-CA 3.43Å; V197-F372 HydrophobicContact CB-CD1 4.5Å; V197-F372 HydrophobicContact CB-CE1 4.29Å; V197-F372 HydrophobicContact CG1-CE1 3.86Å; V197-F372 HydrophobicContact CG2-CD1 4.21Å; V197-F372 HydrophobicContact CG2-CE1 4.12Å; P198-F372 VanDerWaalsContact CD-CD1 3.42Å; P198-F372 VanDerWaalsContact CD-CZ 3.49Å; P198-F372 HydrophobicContact CG-CD1 4.38Å; P198-F372 HydrophobicContact CG-CD2 3.69Å; P198-F372 HydrophobicContact CG-CE1 4.36Å; P198-F372 HydrophobicContact CG-CE2 3.67Å; P198-F372 HydrophobicContact CG-CG 4.08Å; P198-F372 HydrophobicContact CG-CZ 4.01Å
373	E	97	Very high	94.6	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.033	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.1	175	-53.8	-71.2	-178.3	0	0	109.8	H114 S115 A195 S196 S349 A350 A356	H114-E373 WeakPolarHBondContact CB-OE1 3.34Å; H114-E373 IonicContact CG-OE1 3.82Å; H114-E373 IonicContact CG-OE2 2.68Å; H114-E373 IonicContact ND1-OE1 2.67Å; H114-E373 PolarHBondContact ND1-OE1 3.44Å; H114-E373 IonicContact ND1-OE2 3.07Å; H114-E373 PolarHBondContact ND1-OE2 3.26Å; S115-E373 WeakPolarHBondContact OG-CA 3.27Å; S115-E373 PolarHBondContact OG-N 3.31Å; A195-E373 CarbonylContact C-O 3.56Å; A195-E373 WeakPolarHBondContact CA-O 3.14Å; A195-E373 VanDerWaalsContact CB-O 3.3Å; A195-E373 WeakPolarHBondContact CB-O 3.47Å; S196-E373 PolarHBondContact N-O 3.04Å; S196-E373 PolarHBondContact O-N 3.2Å; S196-E373 VanDerWaalsContact O-N 3.09Å; S349-E373 VanDerWaalsContact CB-OE2 3.27Å; S349-E373 WeakPolarHBondContact CB-OE2 3.33Å; S349-E373 WeakPolarHBondContact OG-CA 3.4Å; S349-E373 PolarHBondContact OG-OE2 2.67Å; A350-E373 HydrophobicContact CB-CB 3.97Å; A350-E373 HydrophobicContact CB-CG 3.84Å; A350-E373 PolarHBondContact N-OE2 2.81Å; A356-E373 HydrophobicContact CB-CG 3.85Å; A356-E373 WeakPolarHBondContact CB-OE1 3.31Å
374	V	94.8	Very high	94.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.6	176.8	-67.2	0	0	0	0	110.3	M117 I130 L164 F193 V194 A195 T348 S349	M117-V374 HydrophobicContact CB-CG2 4.03Å; I130-V374 HydrophobicContact CD1-CB 4.24Å; I130-V374 HydrophobicContact CD1-CG2 4.06Å; I130-V374 HydrophobicContact CG2-CG2 4.4Å; L164-V374 HydrophobicContact CD2-CG1 3.67Å; F193-V374 HydrophobicContact CE2-CB 4.17Å; F193-V374 HydrophobicContact CE2-CG1 4.38Å; F193-V374 HydrophobicContact CZ-CB 3.9Å; F193-V374 HydrophobicContact CZ-CG1 3.65Å; V194-V374 CarbonylContact O-C 3.57Å; A195-V374 HydrophobicContact CB-CG1 4.46Å; T348-V374 CarbonylContact C-O 3.46Å; T348-V374 VanDerWaalsContact CA-O 3.29Å; T348-V374 WeakPolarHBondContact CA-O 3.21Å; T348-V374 PolarHBondContact OG1-O 3.13Å; S349-V374 PolarHBondContact N-O 3.22Å; S349-V374 PolarHBondContact OG-N 2.8Å; S349-V374 PolarHBondContact OG-O 2.95Å
375	G	95.3	Very high	93.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	162.9	-173.7	0	0	0	0	0	112.2	F193 V194 L347	F193-G375 WeakPolarHBondContact CD2-O 3.44Å; V194-G375 PolarHBondContact N-O 3.37Å; V194-G375 WeakPolarHBondContact O-CA 2.96Å; V194-G375 PolarHBondContact O-N 3.24Å; L347-G375 CarbonylContact O-C 3.54Å; L347-G375 WeakPolarHBondContact O-CA 3.31Å
376	V	93.3	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.9	177.3	-77.9	0	0	0	0	110.9	I130 A148 F150 V191 Y192 F193 L346 L347 Y378	I130-V376 HydrophobicContact CB-CG2 4.42Å; I130-V376 HydrophobicContact CG1-CG1 4.06Å; A148-V376 HydrophobicContact CB-CG2 3.53Å; F150-V376 HydrophobicContact CE1-CG1 3.55Å; F150-V376 HydrophobicContact CZ-CG1 3.68Å; V191-V376 HydrophobicContact CB-CB 4.43Å; V191-V376 HydrophobicContact CG2-CB 4.44Å; V191-V376 HydrophobicContact CG2-CG1 4.12Å; Y192-V376 CarbonylContact O-C 3.56Å; Y192-V376 WeakPolarHBondContact O-CA 3.36Å; F193-V376 HydrophobicContact CD2-CG1 4.46Å; L346-V376 WeakPolarHBondContact CA-O 3.23Å; L346-V376 VanDerWaalsContact CD1-C 3.47Å; L346-V376 WeakPolarHBondContact CD1-O 3.21Å; L347-V376 HydrophobicContact CB-CG2 4.31Å; L347-V376 PolarHBondContact N-O 3.38Å; L347-V376 PolarHBondContact O-N 3.16Å; V376-Y378 HydrophobicContact CB-CE2 4.19Å; V376-Y378 HydrophobicContact CG2-CE2 3.67Å
377	L	94.6	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.9	174.8	173.6	69.9	0	0	0	109	V191 Y192 V194 L214 L217 L218 W344 L346 L379	V191-L377 WeakPolarHBondContact CA-O 3.16Å; Y192-L377 PolarHBondContact N-O 2.87Å; Y192-L377 PolarHBondContact O-N 3.37Å; V194-L377 HydrophobicContact CG2-CB 3.94Å; L214-L377 HydrophobicContact CD1-CD1 3.92Å; L214-L377 HydrophobicContact CD1-CD2 3.84Å; L214-L377 HydrophobicContact CD1-CG 4.36Å; L217-L377 HydrophobicContact CB-CD2 3.85Å; L217-L377 HydrophobicContact CD1-CD2 4Å; L218-L377 HydrophobicContact CD2-CD1 4.31Å; L218-L377 HydrophobicContact CD2-CD2 4.23Å; W344-L377 HydrophobicContact CB-CD1 4.24Å; W344-L377 HydrophobicContact CD2-CD1 4.35Å; W344-L377 HydrophobicContact CE3-CD1 3.86Å; L346-L377 HydrophobicContact CB-CD1 4.31Å; L346-L377 HydrophobicContact CD1-CB 4.17Å; L377-L379 HydrophobicContact CD1-CD2 4.06Å; L377-L379 HydrophobicContact CD2-CD1 4.05Å; L377-L379 HydrophobicContact CD2-CD2 4.1Å; L377-L379 HydrophobicContact CD2-CG 4.08Å; L377-L379 HydrophobicContact CG-CD2 4.04Å; L377-L379 HydrophobicContact CG-CG 4.03Å
378	Y	94.2	Very high	93.2	Very high	53 Å²	53	34.1 Å²	34.1	21%	0.208	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.2	171.7	-63.5	-101.7	0	0	0	107.9	A148 V191 F345 V376 F383 W389	A148-Y378 WeakPolarHBondContact CB-OH 3.36Å; V191-Y378 HydrophobicContact CG1-CD1 3.46Å; V191-Y378 VanDerWaalsContact CG1-CD1 3.46Å; V191-Y378 HydrophobicContact CG1-CD2 4.4Å; V191-Y378 HydrophobicContact CG1-CE1 3.28Å; V191-Y378 HydrophobicContact CG1-CE2 4.27Å; V191-Y378 HydrophobicContact CG1-CG 4.02Å; F345-Y378 AromaticContact CD1-CD2 3.87Å; F345-Y378 HydrophobicContact CD1-CD2 3.87Å; F345-Y378 HydrophobicContact CD1-CE2 4.37Å; F345-Y378 PolarHBondContact N-O 3.2Å; F345-Y378 PolarHBondContact O-N 3.12Å; V376-Y378 HydrophobicContact CB-CE2 4.19Å; V376-Y378 HydrophobicContact CG2-CE2 3.67Å; Y378-F383 AromaticContact CD1-CE2 3.88Å; Y378-F383 HydrophobicContact CD1-CE2 3.88Å; Y378-F383 AromaticContact CD1-CZ 3.73Å; Y378-F383 HydrophobicContact CD1-CZ 3.73Å; Y378-F383 HydrophobicContact CE1-CZ 4.17Å; Y378-W389 VanDerWaalsContact C-CH2 3.5Å
379	L	93.7	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-124	140.9	171.8	-61.8	-178.2	0	0	0	109.2	Y192 L218 H221 L222 W344 L377 H381 C382 F383	Y192-L379 HydrophobicContact CD2-CD1 3.84Å; Y192-L379 HydrophobicContact CD2-CG 4.2Å; Y192-L379 HydrophobicContact CE2-CB 4.46Å; Y192-L379 HydrophobicContact CE2-CD1 3.64Å; Y192-L379 HydrophobicContact CE2-CG 4.22Å; L218-L379 HydrophobicContact CD2-CD2 4.1Å; H221-L379 HydrophobicContact CB-CD1 3.63Å; L222-L379 HydrophobicContact CB-CD2 4.49Å; L222-L379 HydrophobicContact CD1-CD2 4.01Å; W344-L379 HydrophobicContact CB-CD2 3.47Å; W344-L379 VanDerWaalsContact CB-CD2 3.47Å; W344-L379 HydrophobicContact CG-CD2 4.37Å; L377-L379 HydrophobicContact CD1-CD2 4.06Å; L377-L379 HydrophobicContact CD2-CD1 4.05Å; L377-L379 HydrophobicContact CD2-CD2 4.1Å; L377-L379 HydrophobicContact CD2-CG 4.08Å; L377-L379 HydrophobicContact CG-CD2 4.04Å; L377-L379 HydrophobicContact CG-CG 4.03Å; L379-H381 VanDerWaalsContact C-N 3.26Å; L379-H381 WeakPolarHBondContact CB-CE1 3.15Å; L379-H381 WeakPolarHBondContact CB-ND1 3.41Å; L379-H381 VanDerWaalsContact CD1-CE1 3.49Å; L379-H381 WeakPolarHBondContact CD1-CE1 3.13Å; L379-H381 PolarHBondContact O-N 3.01Å; L379-C382 WeakPolarHBondContact O-CB 3.44Å; L379-C382 PolarHBondContact O-N 3.46Å; L379-C382 VanDerWaalsContact O-N 3.11Å; L379-F383 WeakPolarHBondContact O-CD2 3.39Å
380	P	93.2	Very high	93	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54	-38.2	-177.3	-31.3	37.4	0	0	0	114.5	V224 A343 C382 F383 S385 E387 W389	V224-P380 HydrophobicContact CG2-CB 4.43Å; V224-P380 HydrophobicContact CG2-CG 3.82Å; A343-P380 WeakPolarHBondContact O-CD 3.39Å; P380-C382 PolarHBondContact O-N 3.23Å; P380-C382 VanDerWaalsContact O-N 3.14Å; P380-F383 CarbonylContact O-C 3.55Å; P380-F383 WeakPolarHBondContact O-CA 3.48Å; P380-F383 WeakPolarHBondContact O-CB 3.39Å; P380-F383 PolarHBondContact O-N 2.92Å; P380-S385 CarbonylContact C-O 2.79Å; P380-S385 WeakPolarHBondContact CB-O 3.34Å; P380-S385 PolarHBondContact O-N 3.25Å; P380-E387 WeakPolarHBondContact CB-O 3.24Å; P380-W389 VanDerWaalsContact CA-CZ2 3.48Å; P380-W389 HydrophobicContact CB-CZ2 4.26Å; P380-W389 HydrophobicContact CG-CD2 3.93Å; P380-W389 HydrophobicContact CG-CE3 4.07Å; P380-W389 HydrophobicContact CG-CH2 4.13Å; P380-W389 HydrophobicContact CG-CZ2 4Å; P380-W389 HydrophobicContact CG-CZ3 4.19Å
381	H	89.2	Confident	92.7	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.185	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66.6	-21.9	-175.9	71.4	-87.4	0	0	0	112.9	Y192 H221 K223 L379 F383 L384 S385 D386	Y192-H381 AromaticContact CE2-CE1 3.82Å; Y192-H381 AromaticContact CE2-NE2 3.71Å; Y192-H381 AromaticContact CZ-NE2 3.81Å; Y192-H381 PolarHBondContact OH-NE2 2.76Å; H221-H381 PolarHBondContact O-CE1 2.77Å; H221-H381 PolarHBondContact O-ND1 2.96Å; H221-H381 VanDerWaalsContact O-ND1 3.07Å; K223-H381 HydrophobicContact CD-CB 4.17Å; L379-H381 VanDerWaalsContact C-N 3.26Å; L379-H381 WeakPolarHBondContact CB-CE1 3.15Å; L379-H381 WeakPolarHBondContact CB-ND1 3.41Å; L379-H381 VanDerWaalsContact CD1-CE1 3.49Å; L379-H381 WeakPolarHBondContact CD1-CE1 3.13Å; L379-H381 PolarHBondContact O-N 3.01Å; H381-F383 PolarHBondContact O-N 3.24Å; H381-L384 PolarHBondContact O-N 3.2Å; H381-S385 WeakPolarHBondContact CA-O 3.36Å; H381-S385 PolarHBondContact N-O 3.12Å; H381-D386 WeakPolarHBondContact CB-OD1 3.27Å
382	C	86.5	Confident	92.3	Very high	24 Å²	24	46.9 Å²	46.9	16%	0.162	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.8	-14.9	171.3	-63.8	0	0	0	0	112.8	R190 Y192 L379 P380	R190-C382 VanDerWaalsContact C-CB 3.5Å; R190-C382 HydrophobicContact CB-CB 4.12Å; R190-C382 WeakPolarHBondContact CB-O 3.42Å; R190-C382 VanDerWaalsContact CG-O 3.3Å; R190-C382 WeakPolarHBondContact CG-O 3.4Å; R190-C382 WeakPolarHBondContact O-CB 3.4Å; Y192-C382 WeakPolarHBondContact CE2-SG 3.16Å; L379-C382 WeakPolarHBondContact O-CB 3.44Å; L379-C382 PolarHBondContact O-N 3.46Å; L379-C382 VanDerWaalsContact O-N 3.11Å; P380-C382 PolarHBondContact O-N 3.23Å; P380-C382 VanDerWaalsContact O-N 3.14Å
383	F	87.3	Confident	91.8	Very high	69 Å²	69	49.3 Å²	49.3	30%	0.303	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-117.2	31.9	179.1	-59.2	-94.7	0	0	0	111.1	R190 Y378 L379 P380 H381 S385 W389	R190-F383 HydrophobicContact CB-CD1 4.22Å; R190-F383 HydrophobicContact CB-CD2 4.44Å; R190-F383 HydrophobicContact CB-CE1 3.7Å; R190-F383 HydrophobicContact CB-CE2 3.96Å; R190-F383 HydrophobicContact CB-CZ 3.54Å; R190-F383 HydrophobicContact CG-CD1 4.49Å; R190-F383 HydrophobicContact CG-CE1 4.26Å; R190-F383 WeakPolarHBondContact O-CE2 3.3Å; R190-F383 WeakPolarHBondContact O-CZ 3.42Å; Y378-F383 AromaticContact CD1-CE2 3.88Å; Y378-F383 HydrophobicContact CD1-CE2 3.88Å; Y378-F383 AromaticContact CD1-CZ 3.73Å; Y378-F383 HydrophobicContact CD1-CZ 3.73Å; Y378-F383 HydrophobicContact CE1-CZ 4.17Å; L379-F383 WeakPolarHBondContact O-CD2 3.39Å; P380-F383 CarbonylContact O-C 3.55Å; P380-F383 WeakPolarHBondContact O-CA 3.48Å; P380-F383 WeakPolarHBondContact O-CB 3.39Å; P380-F383 PolarHBondContact O-N 2.92Å; H381-F383 PolarHBondContact O-N 3.24Å; F383-S385 VanDerWaalsContact C-N 3.26Å; F383-S385 PolarHBondContact O-N 3.11Å; F383-W389 AromaticContact CD2-CZ2 3.76Å; F383-W389 HydrophobicContact CD2-CZ2 3.76Å; F383-W389 HydrophobicContact CE2-CZ2 4.11Å
384	L	84.6	Confident	91.2	Very high	143 Å²	143	51.7 Å²	51.7	75%	0.749	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	21.8	172.6	-49.3	176.5	0	0	0	115.2	H381	H381-L384 PolarHBondContact O-N 3.2Å
385	S	86	Confident	90.4	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	29%	0.292	S	S	.	.			trans	-131.4	129.6	174.6	176.4	0	0	0	0	110.7	P380 H381 F383 E387	P380-S385 CarbonylContact C-O 2.79Å; P380-S385 WeakPolarHBondContact CB-O 3.34Å; P380-S385 PolarHBondContact O-N 3.25Å; H381-S385 WeakPolarHBondContact CA-O 3.36Å; H381-S385 PolarHBondContact N-O 3.12Å; F383-S385 VanDerWaalsContact C-N 3.26Å; F383-S385 PolarHBondContact O-N 3.11Å; S385-E387 VanDerWaalsContact C-N 3.3Å; S385-E387 WeakPolarHBondContact OG-CB 3.33Å; S385-E387 PolarHBondContact OG-N 3.25Å; S385-E387 VanDerWaalsContact OG-N 3.13Å; S385-E387 PolarHBondContact OG-O 3.16Å
386	D	89.2	Confident	89.7	Confident	81 Å²	81	59 Å²	59	43%	0.433	30%	0.303	S	S	.	.	S	Bend	trans	-87.5	-5.1	169.7	-70.9	-14.7	0	0	0	111.9	K223 H381	K223-D386 HydrophobicContact CB-CB 4.44Å; K223-D386 HydrophobicContact CD-CB 4.25Å; K223-D386 WeakPolarHBondContact CD-OD1 3.44Å; K223-D386 WeakPolarHBondContact CD-OD2 3.34Å; K223-D386 IonicContact NZ-OD1 2.83Å; K223-D386 PolarHBondContact NZ-OD1 3.25Å; K223-D386 IonicContact NZ-OD2 3.32Å; K223-D386 PolarHBondContact NZ-OD2 3.43Å; H381-D386 WeakPolarHBondContact CB-OD1 3.27Å
387	E	94.7	Very high	89.1	Confident	136 Å²	136	65.6 Å²	65.6	64%	0.636	34%	0.339	S	S	*	.	S	Bend	trans	-81.9	151.9	176.3	-63.8	-58.8	141.8	0	0	112.5	P380 S385	P380-E387 WeakPolarHBondContact CB-O 3.24Å; S385-E387 VanDerWaalsContact C-N 3.3Å; S385-E387 WeakPolarHBondContact OG-CB 3.33Å; S385-E387 PolarHBondContact OG-N 3.25Å; S385-E387 VanDerWaalsContact OG-N 3.13Å; S385-E387 PolarHBondContact OG-O 3.16Å
388	P	96.3	Very high	88.4	Confident	19 Å²	19	68.7 Å²	68.7	12%	0.123	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-60.1	148.1	172	26.7	-33	0	0	0	111	V224 W230 K341 L342	V224-P388 HydrophobicContact CG1-CB 3.88Å; V224-P388 HydrophobicContact CG1-CG 4.2Å; V224-P388 HydrophobicContact CG2-CB 4.48Å; W230-P388 HydrophobicContact CH2-CB 4.04Å; W230-P388 HydrophobicContact CH2-CG 4.19Å; W230-P388 HydrophobicContact CZ3-CB 4.44Å; K341-P388 HydrophobicContact CB-CB 4.13Å; K341-P388 HydrophobicContact CB-CG 4.29Å; K341-P388 HydrophobicContact CD-CG 4.03Å; K341-P388 HydrophobicContact CG-CG 4.41Å; L342-P388 WeakPolarHBondContact O-CA 3.47Å
389	W	96.3	Very high	87.8	Confident	66 Å²	66	69.1 Å²	69.1	25%	0.25	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.8	172.2	-62.9	-60.7	0	0	0	110.7	K341 L342 F345 Y378 P380 F383	K341-W389 CarbonylContact C-O 3.43Å; K341-W389 VanDerWaalsContact CA-O 3.3Å; K341-W389 WeakPolarHBondContact CA-O 3.14Å; L342-W389 HydrophobicContact CB-CB 4.32Å; L342-W389 HydrophobicContact CB-CE3 4.3Å; L342-W389 HydrophobicContact CD2-CE3 3.75Å; L342-W389 HydrophobicContact CD2-CZ3 4.29Å; L342-W389 HydrophobicContact CG-CE3 3.87Å; L342-W389 HydrophobicContact CG-CZ3 4.41Å; L342-W389 PolarHBondContact N-O 2.93Å; L342-W389 PolarHBondContact O-N 3.08Å; F345-W389 HydrophobicContact CB-CZ3 4.38Å; Y378-W389 VanDerWaalsContact C-CH2 3.5Å; P380-W389 VanDerWaalsContact CA-CZ2 3.48Å; P380-W389 HydrophobicContact CB-CZ2 4.26Å; P380-W389 HydrophobicContact CG-CD2 3.93Å; P380-W389 HydrophobicContact CG-CE3 4.07Å; P380-W389 HydrophobicContact CG-CH2 4.13Å; P380-W389 HydrophobicContact CG-CZ2 4Å; P380-W389 HydrophobicContact CG-CZ3 4.19Å; F383-W389 AromaticContact CD2-CZ2 3.76Å; F383-W389 HydrophobicContact CD2-CZ2 3.76Å; F383-W389 HydrophobicContact CE2-CZ2 4.11Å
390	I	95.2	Very high	87.2	Confident	130 Å²	130	69.8 Å²	69.8	67%	0.667	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.7	170	-55	-55.9	0	0	0	108.9	D340 K341	D340-I390 WeakPolarHBondContact O-CA 3.16Å; K341-I390 HydrophobicContact CG-CD1 4.19Å
391	V	92.2	Very high	86.2	Confident	45 Å²	45	73 Å²	73	27%	0.273	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-103.3	129	176.3	-177.5	0	0	0	0	108	F339 D340 L342 I393	F339-V391 WeakPolarHBondContact O-CB 3.33Å; D340-V391 PolarHBondContact O-N 3.32Å; L342-V391 HydrophobicContact CB-CG2 3.7Å; V391-I393 HydrophobicContact CG1-CG2 4.3Å; V391-I393 PolarHBondContact O-N 3.05Å
392	D	88.5	Confident	85.4	Confident	122 Å²	122	75.3 Å²	75.3	65%	0.652	41%	0.412	S	S	*	.			trans	-70.4	110.2	171.3	-178.3	3.7	0	0	0	109.8	A394 Y395	D392-A394 WeakPolarHBondContact OD1-CB 3.45Å; D392-A394 PolarHBondContact OD1-N 3.38Å; D392-Y395 WeakPolarHBondContact O-CD1 3.5Å; D392-Y395 WeakPolarHBondContact O-CE1 3.43Å
393	I	86.1	Confident	84.9	Confident	56 Å²	56	76.9 Å²	76.9	29%	0.287	43%	0.432	S	S	.	.			trans	-105.5	7.7	178.7	57.7	156.6	0	0	0	113	F339 D340 V391 Y395 L396	F339-I393 WeakPolarHBondContact O-CG2 3.47Å; D340-I393 HydrophobicContact CB-CD1 3.83Å; D340-I393 HydrophobicContact CB-CG1 4.07Å; D340-I393 HydrophobicContact CB-CG2 4.16Å; V391-I393 HydrophobicContact CG1-CG2 4.3Å; V391-I393 PolarHBondContact O-N 3.05Å; I393-Y395 PolarHBondContact O-N 3.05Å; I393-L396 HydrophobicContact CB-CD1 4.02Å; I393-L396 HydrophobicContact CG2-CD1 4.38Å; I393-L396 WeakPolarHBondContact O-CB 3.36Å; I393-L396 WeakPolarHBondContact O-CG 3.28Å; I393-L396 PolarHBondContact O-N 3.23Å
394	A	83.6	Confident	84.4	Confident	58 Å²	58	78.5 Å²	78.5	48%	0.479	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-60.3	-20.8	-179.4	0	0	0	0	0	112.8	D392 L396 D397	D392-A394 WeakPolarHBondContact OD1-CB 3.45Å; D392-A394 PolarHBondContact OD1-N 3.38Å; A394-L396 PolarHBondContact O-N 3.36Å; A394-D397 PolarHBondContact O-N 2.79Å
395	Y	78.9	Confident	84	Confident	109 Å²	109	78 Å²	78	43%	0.427	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.7	175.4	74.9	-92.3	0	0	0	113.9	C319 D392 I393 D397	C319-Y395 HydrophobicContact CB-CD1 4.33Å; C319-Y395 HydrophobicContact CB-CD2 4.45Å; C319-Y395 HydrophobicContact CB-CG 3.97Å; D392-Y395 WeakPolarHBondContact O-CD1 3.5Å; D392-Y395 WeakPolarHBondContact O-CE1 3.43Å; I393-Y395 PolarHBondContact O-N 3.05Å; Y395-D397 VanDerWaalsContact C-N 3.33Å
396	L	79.6	Confident	83.3	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-76.9	-19	178.6	-63	177.9	0	0	0	113.1	I393 A394 A398 P408	I393-L396 HydrophobicContact CB-CD1 4.02Å; I393-L396 HydrophobicContact CG2-CD1 4.38Å; I393-L396 WeakPolarHBondContact O-CB 3.36Å; I393-L396 WeakPolarHBondContact O-CG 3.28Å; I393-L396 PolarHBondContact O-N 3.23Å; A394-L396 PolarHBondContact O-N 3.36Å; L396-A398 PolarHBondContact O-N 3.17Å; L396-P408 HydrophobicContact CD1-CB 4.35Å; L396-P408 HydrophobicContact CD1-CG 4.04Å
397	D	81	Confident	82.2	Confident	139 Å²	139	84.2 Å²	84.2	74%	0.743	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-71.7	-18.4	178.9	-65.5	-25.8	0	0	0	112.5	A394 Y395	A394-D397 PolarHBondContact O-N 2.79Å; Y395-D397 VanDerWaalsContact C-N 3.33Å
398	A	80.2	Confident	80.6	Confident	64 Å²	64	82.1 Å²	82.1	53%	0.529	45%	0.453	S	S	.	.	S	Bend	trans	-97	145.7	178.1	0	0	0	0	0	111.8	L396	L396-A398 PolarHBondContact O-N 3.17Å
399	S	81	Confident	79.8	Confident	63 Å²	63	85.3 Å²	85.3	44%	0.441	47%	0.47	S	S	.	.			trans	-63.5	142.9	168.5	62.4	0	0	0	0	110.5	H405	S399-H405 PolarHBondContact N-CE1 2.91Å
400	D	80.7	Confident	78.9	Confident	13 Å²	13	86.3 Å²	86.3	7%	0.07	48%	0.482	C	S	.	.			trans	-65.7	175.4	174.4	82.9	-11	0	0	0	112.4	R316 E318 H402 G403 K404 W406	R316-D400 IonicContact CZ-OD2 3.26Å; R316-D400 IonicContact NE-OD2 3.45Å; R316-D400 PolarHBondContact NE-OD2 3.04Å; R316-D400 IonicContact NH2-OD2 2.67Å; E318-D400 HydrophobicContact CG-CB 3.79Å; D400-H402 PolarHBondContact O-N 2.86Å; D400-H402 VanDerWaalsContact OD1-C 3.31Å; D400-H402 VanDerWaalsContact OD1-CA 3.26Å; D400-H402 WeakPolarHBondContact OD1-CA 3.35Å; D400-H402 VanDerWaalsContact OD1-CB 3.31Å; D400-H402 WeakPolarHBondContact OD1-CB 3.29Å; D400-H402 PolarHBondContact OD1-N 3.38Å; D400-H402 IonicContact OD2-CD2 2.68Å; D400-G403 PolarHBondContact O-N 3.31Å; D400-G403 PolarHBondContact OD1-N 3.03Å; D400-K404 PolarHBondContact N-O 3.33Å; D400-K404 WeakPolarHBondContact OD1-CB 3.48Å; D400-K404 PolarHBondContact OD1-N 2.73Å; D400-W406 VanDerWaalsContact CG-NE1 3.29Å; D400-W406 PolarHBondContact OD2-NE1 2.63Å
401	S	73.7	Confident	78	Confident	70 Å²	70	83.8 Å²	83.8	49%	0.49	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-6.1	176.8	56.8	0	0	0	0	115.2	E318	E318-S401 PolarHBondContact OE1-OG 2.93Å; E318-S401 WeakPolarHBondContact OE2-CB 3.43Å; E318-S401 PolarHBondContact OE2-N 3.25Å; E318-S401 PolarHBondContact OE2-OG 3.16Å
402	H	71.4	Confident	77.2	Confident	89 Å²	89	86.1 Å²	86.1	41%	0.412	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	9.3	173.7	-58.5	-83.4	0	0	0	113.1	D400 K404	D400-H402 PolarHBondContact O-N 2.86Å; D400-H402 VanDerWaalsContact OD1-C 3.31Å; D400-H402 VanDerWaalsContact OD1-CA 3.26Å; D400-H402 WeakPolarHBondContact OD1-CA 3.35Å; D400-H402 VanDerWaalsContact OD1-CB 3.31Å; D400-H402 WeakPolarHBondContact OD1-CB 3.29Å; D400-H402 PolarHBondContact OD1-N 3.38Å; D400-H402 IonicContact OD2-CD2 2.68Å; H402-K404 VanDerWaalsContact C-N 3.27Å; H402-K404 PolarHBondContact O-N 3.21Å
403	G	76.5	Confident	76.5	Confident	57 Å²	57	83.9 Å²	83.9	59%	0.588	47%	0.472	S	S	*	.	S	Bend	trans	71.2	19.8	-178.2	0	0	0	0	0	113.6	D400	D400-G403 PolarHBondContact O-N 3.31Å; D400-G403 PolarHBondContact OD1-N 3.03Å
404	K	77.2	Confident	75.8	Confident	103 Å²	103	85.7 Å²	85.7	45%	0.448	49%	0.485	S	S	.	.			trans	-100.9	138	178.9	-66.3	-169.2	174.7	-169.8	0	111.2	D400 H402 W406	D400-K404 PolarHBondContact N-O 3.33Å; D400-K404 WeakPolarHBondContact OD1-CB 3.48Å; D400-K404 PolarHBondContact OD1-N 2.73Å; H402-K404 VanDerWaalsContact C-N 3.27Å; H402-K404 PolarHBondContact O-N 3.21Å; K404-W406 HydrophobicContact CB-CZ2 4.1Å; K404-W406 HydrophobicContact CD-CH2 4Å; K404-W406 HydrophobicContact CD-CZ2 3.68Å
405	H	76.8	Confident	75.3	Confident	132 Å²	132	87.7 Å²	87.7	61%	0.611	49%	0.485	S	S	*	.			trans	-89.1	136.9	160.5	-70.8	-83.5	0	0	0	108.7	S399	S399-H405 PolarHBondContact N-CE1 2.91Å
406	W	69.6	Low	75	Confident	95 Å²	95	86.1 Å²	86.1	36%	0.36	49%	0.489	S	S	.	.			trans	-116	129.5	177.6	-59.1	93.7	0	0	0	107.9	D400 K404	D400-W406 VanDerWaalsContact CG-NE1 3.29Å; D400-W406 PolarHBondContact OD2-NE1 2.63Å; K404-W406 HydrophobicContact CB-CZ2 4.1Å; K404-W406 HydrophobicContact CD-CH2 4Å; K404-W406 HydrophobicContact CD-CZ2 3.68Å
407	D	67.9	Low	74.6	Confident	158 Å²	158	89.6 Å²	89.6	85%	0.845	51%	0.511	S	S	*	.			trans	-63.4	143.2	162.5	-63.2	-36.1	0	0	0	108.5
408	P	59.2	Low	74	Confident	92 Å²	92	85.1 Å²	85.1	60%	0.597	49%	0.49	S	S	*	.			trans	-48.2	0	-177.8	-24.2	27.9	0	0	0	116.5	F339 L396	F339-P408 HydrophobicContact CD2-CB 3.31Å; F339-P408 HydrophobicContact CE2-CB 3.74Å; F339-P408 WeakPolarHBondContact CE2-O 3.25Å; F339-P408 VanDerWaalsContact CE2-OXT 3.27Å; F339-P408 WeakPolarHBondContact CE2-OXT 3.05Å; F339-P408 HydrophobicContact CG-CB 4.24Å; L396-P408 HydrophobicContact CD1-CB 4.35Å; L396-P408 HydrophobicContact CD1-CG 4.04Å

Retrieved 408 of 408 residues in 985.5 ms (Link to these results)

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