A0A087YND9_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A087YND9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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	50.4	Low	53.1	Low	244 Å²	244	146.4 Å²	146.4	100%	1.202	72%	0.723	S	S	*	*				0	46.1	0	-67.3	-176.5	-82.1	0	0	113.5
2	R	51.3	Low	54.3	Low	233 Å²	233	138.4 Å²	138.4	88%	0.879	70%	0.698	S	S	*	*			trans	-140.5	9.5	176.6	-94.6	-175.6	178.3	178	-1.2	115.3
3	R	53.6	Low	55.6	Low	227 Å²	227	134.2 Å²	134.2	86%	0.857	68%	0.683	S	S	*	*	S	Bend	trans	-120.5	-1.5	-179.3	-73.6	-168.3	177.8	-168.8	0.2	115.9
4	L	48	Very low	56.4	Low	146 Å²	146	128.2 Å²	128.2	76%	0.764	67%	0.665	S	S	*	*	S	Bend	trans	-90.3	-19.2	170.9	-105.8	87	0	0	0	113.6	L6	L4-L6 PolarHBondContact O-N 3.03Å
5	A	49.2	Very low	57.5	Low	66 Å²	66	125.3 Å²	125.3	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-75.9	-21	-176.1	0	0	0	0	0	113.9
6	L	52.1	Low	58.1	Low	134 Å²	134	124.7 Å²	124.7	70%	0.702	65%	0.651	S	S	*	*	H	α-helix	trans	-81.2	-18.9	-177.6	-88	150.8	0	0	0	113.9	L4	L4-L6 PolarHBondContact O-N 3.03Å
7	F	52.3	Low	58.7	Low	168 Å²	168	121.6 Å²	121.6	74%	0.737	64%	0.639	S	S	*	*	H	α-helix	trans	-96.8	-15.3	177.2	-75.9	-77.2	0	0	0	113.7
8	L	53.6	Low	58.8	Low	114 Å²	114	122.7 Å²	122.7	60%	0.597	64%	0.64	S	S	*	*	H	α-helix	trans	-88.2	-21.2	176.3	-68.6	171	0	0	0	112.8	C11 A12	L8-C11 PolarHBondContact O-N 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.42Å; L8-A12 PolarHBondContact O-N 2.91Å
9	L	56.2	Low	58.8	Low	120 Å²	120	121 Å²	121	63%	0.628	63%	0.631	S	S	*	*	H	α-helix	trans	-63.9	-46	179.5	-131	92.7	0	0	0	113.8	C11 A12 V13	L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.34Å; L9-A12 PolarHBondContact O-N 3.48Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.45Å
10	P	57.7	Low	58.5	Low	79 Å²	79	122.7 Å²	122.7	51%	0.513	63%	0.629	S	S	.	*	H	α-helix	trans	-66.8	-34.9	178	-5.4	15.4	0	0	0	112.1	A14	P10-A14 WeakPolarHBondContact O-CB 3.38Å; P10-A14 PolarHBondContact O-N 2.79Å
11	C	59.9	Low	58.1	Low	79 Å²	79	121.9 Å²	121.9	53%	0.534	63%	0.625	S	S	.	*	H	α-helix	trans	-70	-40	177.1	-64.6	0	0	0	0	111.9	L8 L9 A14 V15	L8-C11 PolarHBondContact O-N 3.31Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.34Å; C11-A14 PolarHBondContact O-N 3.04Å; C11-V15 VanDerWaalsContact O-CG2 3.29Å; C11-V15 WeakPolarHBondContact O-CG2 3.39Å; C11-V15 PolarHBondContact O-N 3.43Å
12	A	67	Low	58	Low	51 Å²	51	114 Å²	114	42%	0.421	60%	0.599	S	S	.	*	H	α-helix	trans	-66.5	-39.6	175.9	0	0	0	0	0	111.6	L8 L9 V15 L16	L8-A12 WeakPolarHBondContact O-CB 3.42Å; L8-A12 PolarHBondContact O-N 2.91Å; L9-A12 PolarHBondContact O-N 3.48Å; A12-V15 PolarHBondContact O-N 2.89Å; A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.37Å; A12-L16 PolarHBondContact O-N 2.92Å
13	V	71.5	Confident	57.6	Low	83 Å²	83	110.5 Å²	110.5	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-66.5	-41.2	174.7	173.7	0	0	0	0	111.1	L9 V15 L16 V17	L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.45Å; V13-V15 PolarHBondContact O-N 3.22Å; V13-L16 PolarHBondContact O-N 3.47Å; V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.36Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.25Å; V13-V17 PolarHBondContact O-N 3.44Å
14	A	66.9	Low	56.7	Low	51 Å²	51	106.8 Å²	106.8	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-40.1	176.2	0	0	0	0	0	112.4	P10 C11 H18	P10-A14 WeakPolarHBondContact O-CB 3.38Å; P10-A14 PolarHBondContact O-N 2.79Å; C11-A14 PolarHBondContact O-N 3.04Å; A14-H18 WeakPolarHBondContact O-CB 3.45Å; A14-H18 PolarHBondContact O-N 2.85Å
15	V	72.3	Confident	55.9	Low	85 Å²	85	105.2 Å²	105.2	52%	0.515	58%	0.577	S	S	.	*	H	α-helix	trans	-68.2	-40.4	175.7	171.2	0	0	0	0	111.3	C11 A12 V13 H18 L19	C11-V15 VanDerWaalsContact O-CG2 3.29Å; C11-V15 WeakPolarHBondContact O-CG2 3.39Å; C11-V15 PolarHBondContact O-N 3.43Å; A12-V15 PolarHBondContact O-N 2.89Å; V13-V15 PolarHBondContact O-N 3.22Å; V15-H18 PolarHBondContact O-N 2.83Å; V15-L19 HydrophobicContact CG1-CD1 3.77Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.15Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.36Å; V15-L19 PolarHBondContact O-N 3.49Å
16	L	68.3	Low	55	Low	115 Å²	115	106.7 Å²	106.7	60%	0.602	58%	0.584	S	S	*	*	H	α-helix	trans	-68.3	-37.1	176.3	-74.2	168.1	0	0	0	112.3	A12 V13 L19 W20	A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.37Å; A12-L16 PolarHBondContact O-N 2.92Å; V13-L16 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 2.88Å; L16-W20 WeakPolarHBondContact O-CB 3.26Å; L16-W20 PolarHBondContact O-N 2.92Å
17	V	67.1	Low	53.9	Low	73 Å²	73	109.3 Å²	109.3	44%	0.442	59%	0.59	S	S	.	*	H	α-helix	trans	-67.2	-40.5	173.1	169.5	0	0	0	0	110.8	V13 W20 L21	V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.36Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.25Å; V13-V17 PolarHBondContact O-N 3.44Å; V17-W20 PolarHBondContact O-N 3.47Å; V17-L21 HydrophobicContact CG1-CD1 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 WeakPolarHBondContact O-CG 3.32Å; V17-L21 PolarHBondContact O-N 2.85Å
18	H	61.3	Low	52.7	Low	140 Å²	140	106.2 Å²	106.2	65%	0.648	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-43	174.2	-103.9	-67.8	0	0	0	112.7	A14 V15 L21 A22	A14-H18 WeakPolarHBondContact O-CB 3.45Å; A14-H18 PolarHBondContact O-N 2.85Å; V15-H18 PolarHBondContact O-N 2.83Å; H18-L21 PolarHBondContact O-N 3.37Å; H18-A22 VanDerWaalsContact O-CB 3.26Å; H18-A22 WeakPolarHBondContact O-CB 3.47Å; H18-A22 PolarHBondContact O-N 2.9Å
19	L	57.8	Low	51.5	Low	91 Å²	91	109.2 Å²	109.2	48%	0.476	60%	0.597	S	S	.	*	H	α-helix	trans	-69.3	-35.3	177.2	-73.5	168.3	0	0	0	111.8	V15 L16 A22 Q23	V15-L19 HydrophobicContact CG1-CD1 3.77Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.15Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.36Å; V15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 2.88Å; L19-A22 PolarHBondContact O-N 3.32Å; L19-Q23 WeakPolarHBondContact O-CB 3.24Å; L19-Q23 WeakPolarHBondContact O-CG 3.39Å; L19-Q23 PolarHBondContact O-N 3.46Å
20	W	53.8	Low	50.3	Low	154 Å²	154	112.6 Å²	112.6	58%	0.583	61%	0.607	S	S	*	*	H	α-helix	trans	-70.4	-36.6	175.1	-175.8	80.5	0	0	0	112.7	L16 V17	L16-W20 WeakPolarHBondContact O-CB 3.26Å; L16-W20 PolarHBondContact O-N 2.92Å; V17-W20 PolarHBondContact O-N 3.47Å
21	L	48.9	Very low	48.8	Very low	106 Å²	106	117.7 Å²	117.7	56%	0.555	62%	0.622	S	S	*	*	H	α-helix	trans	-67.2	-36.5	169.8	-83.5	157.6	0	0	0	111.9	V17 H18 Q23	V17-L21 HydrophobicContact CG1-CD1 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 WeakPolarHBondContact O-CG 3.32Å; V17-L21 PolarHBondContact O-N 2.85Å; H18-L21 PolarHBondContact O-N 3.37Å; L21-Q23 VanDerWaalsContact C-N 3.33Å
22	A	49	Very low	47.3	Very low	80 Å²	80	119.9 Å²	119.9	66%	0.661	63%	0.633	S	S	*	*	H	α-helix	trans	-74.6	-18.8	178.8	0	0	0	0	0	114.1	H18 L19	H18-A22 VanDerWaalsContact O-CB 3.26Å; H18-A22 WeakPolarHBondContact O-CB 3.47Å; H18-A22 PolarHBondContact O-N 2.9Å; L19-A22 PolarHBondContact O-N 3.32Å
23	Q	42.4	Very low	45.5	Very low	159 Å²	159	122.5 Å²	122.5	74%	0.743	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	6.6	-178.5	-75.5	-175.6	-19.1	0	0	114.5	L19 L21	L19-Q23 WeakPolarHBondContact O-CB 3.24Å; L19-Q23 WeakPolarHBondContact O-CG 3.39Å; L19-Q23 PolarHBondContact O-N 3.46Å; L21-Q23 VanDerWaalsContact C-N 3.33Å
24	R	34.9	Very low	43.9	Very low	149 Å²	149	127.5 Å²	127.5	56%	0.562	67%	0.668	S	S	*	*	S	Bend	trans	-69.3	129.1	165.4	-77.1	-168.9	173.9	-155.1	-3.8	108.9	S26	R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.4Å
25	P	31.4	Very low	42.3	Very low	113 Å²	113	132.9 Å²	132.9	73%	0.734	69%	0.685	S	S	*	*			trans	-68.1	98.5	165.3	28.8	-28.9	0	0	0	106.6	F27	P25-F27 PolarHBondContact O-N 3.01Å
26	S	30.7	Very low	40.6	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	70%	0.704	S	S	*	*			trans	-57.3	109.7	156.7	-60.3	0	0	0	0	106	R24 S28	R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.4Å; S26-S28 WeakPolarHBondContact CB-OG 3.38Å; S26-S28 PolarHBondContact O-N 3.39Å; S26-S28 PolarHBondContact O-OG 3.44Å
27	F	29.6	Very low	39	Very low	189 Å²	189	136.3 Å²	136.3	83%	0.829	71%	0.708	S	S	*	*			trans	-65.2	80.5	159.1	-105.7	-92.7	0	0	0	106.5	P25 F29	P25-F27 PolarHBondContact O-N 3.01Å; F27-F29 VanDerWaalsContact C-N 3.31Å; F27-F29 HydrophobicContact CD1-CD2 4.48Å; F27-F29 HydrophobicContact CD1-CE2 4.42Å; F27-F29 PolarHBondContact O-N 2.97Å; F27-F29 VanDerWaalsContact O-N 3.09Å
28	S	27.2	Very low	37.5	Very low	102 Å²	102	139 Å²	139	71%	0.713	73%	0.725	S	S	*	*			trans	-78.5	84.4	174.9	-56.7	0	0	0	0	107.5	S26	S26-S28 WeakPolarHBondContact CB-OG 3.38Å; S26-S28 PolarHBondContact O-N 3.39Å; S26-S28 PolarHBondContact O-OG 3.44Å
29	F	28.1	Very low	36.6	Very low	177 Å²	177	142.1 Å²	142.1	78%	0.776	73%	0.731	S	S	*	*			trans	-70.4	130.3	158.4	-102.2	-92.3	0	0	0	108.3	F27 F31	F27-F29 VanDerWaalsContact C-N 3.31Å; F27-F29 HydrophobicContact CD1-CD2 4.48Å; F27-F29 HydrophobicContact CD1-CE2 4.42Å; F27-F29 PolarHBondContact O-N 2.97Å; F27-F29 VanDerWaalsContact O-N 3.09Å; F29-F31 PolarHBondContact O-N 2.91Å; F29-F31 VanDerWaalsContact O-N 3.08Å
30	F	29.5	Very low	35.8	Very low	192 Å²	192	141.6 Å²	141.6	84%	0.842	74%	0.736	S	S	*	*			trans	-34.8	101.6	-176.8	-73.9	-98.2	0	0	0	115.5
31	F	26.9	Very low	35.7	Very low	186 Å²	186	141.2 Å²	141.2	82%	0.816	75%	0.745	S	S	*	*			trans	-124.6	105.5	147.6	-97.9	-89.3	0	0	0	106.6	F29	F29-F31 PolarHBondContact O-N 2.91Å; F29-F31 VanDerWaalsContact O-N 3.08Å
32	T	28	Very low	36.4	Very low	124 Å²	124	143.5 Å²	143.5	76%	0.761	75%	0.753	S	S	*	*			trans	-75	125.9	163.4	42.8	0	0	0	0	108.2
33	P	29.7	Very low	37.9	Very low	107 Å²	107	150.4 Å²	150.4	70%	0.695	76%	0.762	S	S	*	*			trans	-66.6	151.6	166.7	0.3	14.8	0	0	0	109.1	E35	P33-E35 PolarHBondContact O-N 2.93Å
34	L	37.6	Very low	39.8	Very low	187 Å²	187	145.8 Å²	145.8	98%	0.979	74%	0.742	S	S	*	*			trans	-66.2	73.9	169.9	-168.4	80.2	0	0	0	109.5
35	E	33.7	Very low	42.3	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	74%	0.737	S	S	*	*			trans	-80.1	139.8	161.3	-90.3	-175.2	154.1	0	0	108.7	P33 S37	P33-E35 PolarHBondContact O-N 2.93Å; E35-S37 PolarHBondContact O-N 3.47Å
36	N	37.1	Very low	45.2	Very low	174 Å²	174	141.6 Å²	141.6	93%	0.93	72%	0.724	S	S	*	*			trans	-55.7	75	168.8	-105.9	-15	0	0	0	110.2	T38	N36-T38 PolarHBondContact O-N 3.32Å
37	S	34	Very low	48.1	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	70%	0.7	S	S	*	*			trans	-73.4	120.5	162.1	-176.6	0	0	0	0	105.9	E35 R39	E35-S37 PolarHBondContact O-N 3.47Å; S37-R39 VanDerWaalsContact C-N 3.35Å; S37-R39 PolarHBondContact O-N 2.78Å
38	T	36.2	Very low	51.1	Low	130 Å²	130	130.7 Å²	130.7	80%	0.798	67%	0.665	S	S	*	*			trans	-39.2	102.6	161.1	40.8	0	0	0	0	108.7	N36 S40	N36-T38 PolarHBondContact O-N 3.32Å; T38-S40 PolarHBondContact O-N 2.96Å
39	R	41	Very low	54.3	Low	205 Å²	205	126 Å²	126	77%	0.774	63%	0.632	S	S	*	*			trans	-58.8	101.7	175.9	-173.5	175.9	171.7	174	-1.1	105.6	S37 D41	S37-R39 VanDerWaalsContact C-N 3.35Å; S37-R39 PolarHBondContact O-N 2.78Å; R39-D41 PolarHBondContact O-N 3.48Å
40	S	42.3	Very low	57.6	Low	81 Å²	81	117.7 Å²	117.7	57%	0.566	60%	0.595	S	S	*	*			trans	-48.9	129	157.6	39.8	0	0	0	0	105.8	T38 E42	T38-S40 PolarHBondContact O-N 2.96Å; S40-E42 PolarHBondContact O-N 3.4Å
41	D	51.7	Low	60.8	Low	146 Å²	146	108.8 Å²	108.8	78%	0.781	56%	0.557	S	S	*	*			trans	-70.2	48.6	-179.9	-166.6	27.8	0	0	0	110.5	R39 R43	R39-D41 PolarHBondContact O-N 3.48Å; D41-R43 PolarHBondContact O-N 3.02Å
42	E	64.1	Low	64.2	Low	154 Å²	154	100 Å²	100	72%	0.72	52%	0.518	S	S	*	.			trans	-71.5	106.8	167.6	-76.7	-171.8	157.7	0	0	106.9	S40 L44	S40-E42 PolarHBondContact O-N 3.4Å; E42-L44 PolarHBondContact O-N 3.08Å
43	R	79.3	Confident	67.6	Low	224 Å²	224	94 Å²	94	85%	0.845	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-59.2	129.1	172.7	-70	-175.5	-173.1	-177.1	2.3	108.7	D41	D41-R43 PolarHBondContact O-N 3.02Å
44	L	83.5	Confident	70.8	Confident	63 Å²	63	89.4 Å²	89.4	33%	0.33	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-57.7	146	171.8	-66.3	175.4	0	0	0	109.7	E42 F46 D346	E42-L44 PolarHBondContact O-N 3.08Å; L44-F46 PolarHBondContact O-N 3.28Å; L44-D346 HydrophobicContact CB-CB 4.27Å
45	P	85.8	Confident	73.7	Confident	71 Å²	71	80.6 Å²	80.6	46%	0.461	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.4	134.1	173.6	27.7	-34.2	0	0	0	109.6	F47 D346	P45-F47 HydrophobicContact CB-CE2 3.82Å; P45-F47 HydrophobicContact CB-CZ 3.74Å; P45-F47 HydrophobicContact CG-CE2 3.91Å; P45-F47 HydrophobicContact CG-CZ 4.15Å; P45-D346 PolarHBondContact O-N 3.47Å
46	F	92.4	Very high	76.7	Confident	103 Å²	103	74 Å²	74	45%	0.452	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.9	-178.8	175	-93.3	0	0	0	111.5	L44 D346 N348	L44-F46 PolarHBondContact O-N 3.28Å; F46-D346 CarbonylContact C-O 3.51Å; F46-D346 VanDerWaalsContact CA-O 3.31Å; F46-D346 WeakPolarHBondContact CA-O 3.28Å; F46-D346 HydrophobicContact CB-CB 4.47Å; F46-D346 HydrophobicContact CD2-CB 4.22Å; F46-N348 WeakPolarHBondContact CZ-ND2 3.33Å
47	F	92.7	Very high	79.6	Confident	39 Å²	39	66 Å²	66	17%	0.171	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.3	176.3	-54	-72.2	0	0	0	112.1	P45 A85 A345 D346 F347 N348	P45-F47 HydrophobicContact CB-CE2 3.82Å; P45-F47 HydrophobicContact CB-CZ 3.74Å; P45-F47 HydrophobicContact CG-CE2 3.91Å; P45-F47 HydrophobicContact CG-CZ 4.15Å; F47-A85 HydrophobicContact CD1-CB 3.63Å; F47-A85 HydrophobicContact CD2-CB 3.78Å; F47-A85 HydrophobicContact CE1-CB 3.61Å; F47-A85 HydrophobicContact CE2-CB 3.74Å; F47-A85 HydrophobicContact CG-CB 3.71Å; F47-A85 HydrophobicContact CZ-CB 3.66Å; F47-A345 HydrophobicContact CD2-CB 4.43Å; F47-A345 HydrophobicContact CE2-CB 4.44Å; F47-D346 PolarHBondContact N-O 2.8Å; F47-F347 HydrophobicContact CB-CB 4.41Å; F47-F347 WeakPolarHBondContact O-CA 3.48Å; F47-N348 PolarHBondContact O-N 3.07Å; F47-N348 VanDerWaalsContact O-N 3.14Å
48	D	92.1	Very high	82.5	Confident	18 Å²	18	67.2 Å²	67.2	10%	0.096	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-40.4	167.4	-88.9	-21.4	0	0	0	111.3	R83 N348 L349 K374	D48-R83 WeakPolarHBondContact CA-O 3.39Å; D48-R83 HydrophobicContact CB-CB 4.27Å; D48-R83 WeakPolarHBondContact CB-O 3.46Å; D48-R83 PolarHBondContact N-O 3.23Å; D48-R83 IonicContact OD2-CZ 3.34Å; D48-R83 IonicContact OD2-NE 3.76Å; D48-R83 PolarHBondContact OD2-NE 2.86Å; D48-R83 IonicContact OD2-NH2 2.84Å; D48-R83 PolarHBondContact OD2-NH2 2.94Å; D48-N348 WeakPolarHBondContact O-CB 3.29Å; D48-N348 PolarHBondContact OD1-ND2 3.01Å; D48-L349 PolarHBondContact O-N 2.93Å; D48-K374 VanDerWaalsContact CG-NZ 3.27Å; D48-K374 IonicContact OD1-NZ 3.61Å; D48-K374 PolarHBondContact OD1-NZ 3.5Å; D48-K374 IonicContact OD2-NZ 2.98Å; D48-K374 PolarHBondContact OD2-NZ 2.82Å
49	V	94.3	Very high	85.4	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.6	178.5	-175.5	0	0	0	0	109.9	V51 R83 V84 A85 L349 L351 L365 I368	V49-V51 HydrophobicContact CG1-CG2 4.07Å; V49-R83 PolarHBondContact N-O 2.95Å; V49-R83 VanDerWaalsContact N-O 3.14Å; V49-V84 HydrophobicContact CB-CG2 4.43Å; V49-V84 WeakPolarHBondContact O-CA 3.37Å; V49-A85 PolarHBondContact O-N 3.23Å; V49-L349 CarbonylContact C-O 3.51Å; V49-L349 WeakPolarHBondContact CA-O 3.4Å; V49-L349 HydrophobicContact CG2-CB 4.46Å; V49-L351 HydrophobicContact CG1-CB 3.89Å; V49-L365 HydrophobicContact CG2-CD2 3.62Å; V49-I368 HydrophobicContact CG2-CD1 3.86Å
50	L	96.9	Very high	88.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115	166	177.2	63.5	0	0	0	109	A85 K87 F337 A345 F347 L349 L350 L351	L50-A85 CarbonylContact C-O 3.56Å; L50-A85 HydrophobicContact CD1-CB 3.84Å; L50-K87 HydrophobicContact CD1-CG 4.24Å; L50-F337 HydrophobicContact CD2-CZ 4.37Å; L50-A345 HydrophobicContact CD2-CB 4.28Å; L50-F347 HydrophobicContact CB-CB 4.13Å; L50-F347 HydrophobicContact CB-CD1 4.33Å; L50-F347 HydrophobicContact CB-CD2 4.39Å; L50-F347 HydrophobicContact CB-CG 4.02Å; L50-F347 HydrophobicContact CD2-CD1 3.93Å; L50-F347 HydrophobicContact CD2-CE1 4.02Å; L50-F347 HydrophobicContact CD2-CG 4.43Å; L50-L349 PolarHBondContact N-O 3.4Å; L50-L350 CarbonylContact O-C 3.59Å; L50-L350 WeakPolarHBondContact O-CA 3.49Å; L50-L351 PolarHBondContact O-N 3Å
51	V	97.8	Very high	90.7	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.5	176.8	-173.2	0	0	0	0	109.7	V49 V53 W70 V84 A85 V86 K87 L351 T353	V49-V51 HydrophobicContact CG1-CG2 4.07Å; V51-V53 HydrophobicContact CG1-CG2 4.1Å; V51-W70 HydrophobicContact CG1-CH2 3.89Å; V51-W70 HydrophobicContact CG1-CZ3 4.29Å; V51-V84 HydrophobicContact CG2-CG1 3.82Å; V51-A85 PolarHBondContact N-O 3Å; V51-V86 HydrophobicContact CB-CB 4.32Å; V51-V86 HydrophobicContact CB-CG1 4.18Å; V51-V86 HydrophobicContact CB-CG2 3.98Å; V51-V86 HydrophobicContact CG1-CG1 4.28Å; V51-V86 HydrophobicContact CG2-CG2 4.14Å; V51-V86 CarbonylContact O-C 3.44Å; V51-V86 WeakPolarHBondContact O-CA 3.44Å; V51-K87 PolarHBondContact O-N 3.43Å; V51-L351 CarbonylContact C-O 3.54Å; V51-L351 VanDerWaalsContact CA-O 3.24Å; V51-L351 WeakPolarHBondContact CA-O 3.5Å; V51-L351 HydrophobicContact CG1-CD2 3.79Å; V51-L351 HydrophobicContact CG2-CB 4.23Å; V51-T353 HydrophobicContact CG1-CG2 4.3Å
52	G	98.1	Very high	92.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.2	169.1	0	0	0	0	0	110.5	K87 L351 K352 T353	G52-K87 WeakPolarHBondContact CA-O 3.46Å; G52-L351 PolarHBondContact N-O 3.04Å; G52-K352 WeakPolarHBondContact O-CA 3.49Å; G52-T353 PolarHBondContact O-N 3.04Å
53	V	98.4	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112	177.4	-174.8	0	0	0	0	108.5	V51 S55 I66 W70 V86 K87 F88 I89 T353 D355	V51-V53 HydrophobicContact CG1-CG2 4.1Å; V53-S55 PolarHBondContact O-N 2.86Å; V53-I66 HydrophobicContact CG1-CD1 3.91Å; V53-W70 HydrophobicContact CG2-CH2 3.89Å; V53-W70 HydrophobicContact CG2-CZ2 4.08Å; V53-V86 HydrophobicContact CG2-CG1 3.84Å; V53-K87 PolarHBondContact N-O 3.11Å; V53-F88 HydrophobicContact CB-CD1 3.73Å; V53-F88 HydrophobicContact CB-CE1 4.09Å; V53-F88 HydrophobicContact CG1-CD1 3.82Å; V53-F88 HydrophobicContact CG1-CE1 3.93Å; V53-F88 HydrophobicContact CG2-CD1 4.37Å; V53-F88 HydrophobicContact CG2-CE1 4.36Å; V53-F88 CarbonylContact O-C 3.56Å; V53-F88 WeakPolarHBondContact O-CA 3.42Å; V53-I89 PolarHBondContact O-N 2.96Å; V53-T353 WeakPolarHBondContact CA-O 3.44Å; V53-T353 HydrophobicContact CB-CG2 4.41Å; V53-T353 HydrophobicContact CG1-CG2 4.37Å; V53-T353 HydrophobicContact CG2-CG2 3.88Å; V53-D355 HydrophobicContact CG1-CB 3.92Å
54	L	97.8	Very high	95.5	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	125.3	172.1	-72.3	178.6	0	0	0	109.4	I89 V330 K333 T353 D355	L54-I89 HydrophobicContact CD2-CB 4.14Å; L54-I89 HydrophobicContact CD2-CD1 3.89Å; L54-I89 HydrophobicContact CD2-CG2 4.25Å; L54-I89 HydrophobicContact CG-CD1 4.41Å; L54-V330 HydrophobicContact CD1-CG1 3.46Å; L54-V330 VanDerWaalsContact CD1-CG1 3.46Å; L54-V330 HydrophobicContact CD2-CG1 4.42Å; L54-K333 HydrophobicContact CD2-CD 4.17Å; L54-K333 HydrophobicContact CD2-CG 4.26Å; L54-T353 PolarHBondContact N-O 2.82Å; L54-D355 WeakPolarHBondContact O-CB 3.44Å; L54-D355 PolarHBondContact O-N 3.31Å
55	S	97.9	Very high	96.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	21%	0.208	C	C	.	.			trans	-140.9	133.7	-179.7	-175.3	0	0	0	0	111.9	V53 R63 I89 K333 D355	V53-S55 PolarHBondContact O-N 2.86Å; S55-R63 VanDerWaalsContact OG-CG 3.3Å; S55-R63 WeakPolarHBondContact OG-CG 3.27Å; S55-R63 PolarHBondContact OG-NH1 2.93Å; S55-I89 PolarHBondContact N-O 2.96Å; S55-I89 VanDerWaalsContact N-O 3.08Å; S55-I89 VanDerWaalsContact O-O 3.08Å; S55-K333 PolarHBondContact O-NZ 3.42Å; S55-D355 WeakPolarHBondContact CA-OD2 3.22Å; S55-D355 WeakPolarHBondContact CB-OD2 3.48Å; S55-D355 PolarHBondContact OG-OD2 3.42Å
56	A	97.3	Very high	96.8	Very high	24 Å²	24	36.3 Å²	36.3	20%	0.198	19%	0.187	C	C	.	.			trans	-72.1	152.7	174.8	0	0	0	0	0	110.5	H58 H59 R63	A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 PolarHBondContact O-N 3.39Å; A56-H59 HydrophobicContact CB-CB 4.47Å; A56-H59 WeakPolarHBondContact O-CB 3.47Å; A56-H59 PolarHBondContact O-N 2.99Å; A56-R63 PolarHBondContact O-NH1 3.33Å
57	R	97.5	Very high	97.1	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.026	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-50.7	-178.4	-71.5	168.9	63.9	97.6	1.1	113.4	H59 R63 V90 G91 R92 H93 G94 E304 D305 L308 D325	R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 2.86Å; R57-R63 PolarHBondContact O-NH1 3.37Å; R57-R63 PolarHBondContact O-NH2 3.19Å; R57-V90 HydrophobicContact CB-CG1 4.39Å; R57-V90 HydrophobicContact CG-CG1 3.58Å; R57-G91 PolarHBondContact NH1-O 3.49Å; R57-R92 PolarHBondContact NH1-O 3.47Å; R57-H93 VanDerWaalsContact NH1-C 3.32Å; R57-G94 VanDerWaalsContact CZ-N 3.29Å; R57-E304 HydrophobicContact CB-CG 4.45Å; R57-E304 VanDerWaalsContact CB-OE1 3.28Å; R57-E304 WeakPolarHBondContact CB-OE1 3.48Å; R57-E304 IonicContact CZ-OE2 2.85Å; R57-E304 IonicContact NE-OE2 2.88Å; R57-E304 PolarHBondContact NE-OE2 3.26Å; R57-E304 IonicContact NH2-OE2 2.83Å; R57-E304 PolarHBondContact NH2-OE2 3.09Å; R57-E304 VanDerWaalsContact NH2-OE2 3.14Å; R57-D305 IonicContact CZ-OD1 3.37Å; R57-D305 IonicContact NH1-OD1 3.31Å; R57-D305 IonicContact NH2-OD1 3.27Å; R57-D305 PolarHBondContact NH2-OD1 3.18Å; R57-L308 HydrophobicContact CB-CD1 3.73Å; R57-L308 HydrophobicContact CG-CD1 3.87Å; R57-L308 WeakPolarHBondContact O-CD2 3.28Å; R57-D325 VanDerWaalsContact CD-CB 3.49Å; R57-D325 HydrophobicContact CG-CB 3.84Å; R57-D325 WeakPolarHBondContact CG-OD2 3.3Å
58	H	95.4	Very high	97.3	Very high	124 Å²	124	36 Å²	36	57%	0.574	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.6	-178.5	62.2	-83.4	0	0	0	115.3	A56 H60 E304	A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 PolarHBondContact O-N 3.39Å; H58-H60 PolarHBondContact O-CD2 2.96Å; H58-H60 PolarHBondContact O-N 3.46Å; H58-E304 PolarHBondContact N-OE1 2.87Å
59	H	97.7	Very high	97.5	Very high	54 Å²	54	38.6 Å²	38.6	25%	0.25	21%	0.207	C	C	.	.			trans	-78.7	43.9	-178.4	-71	-173.4	0	0	0	113.8	A56 R57 D61 L62 R63 D355	A56-H59 HydrophobicContact CB-CB 4.47Å; A56-H59 WeakPolarHBondContact O-CB 3.47Å; A56-H59 PolarHBondContact O-N 2.99Å; R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 2.86Å; H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 PolarHBondContact O-N 3.36Å; H59-L62 HydrophobicContact CB-CB 4.23Å; H59-L62 HydrophobicContact CB-CD1 4.09Å; H59-L62 HydrophobicContact CB-CG 4.49Å; H59-L62 PolarHBondContact O-N 2.89Å; H59-R63 PolarHBondContact O-N 2.8Å; H59-R63 VanDerWaalsContact O-N 3.11Å; H59-R63 PolarHBondContact O-NH1 3.42Å; H59-D355 WeakPolarHBondContact CB-OD2 3.18Å; H59-D355 IonicContact CE1-OD1 3.48Å; H59-D355 IonicContact CE1-OD2 2.9Å; H59-D355 IonicContact CG-OD2 3.72Å; H59-D355 IonicContact ND1-OD1 2.81Å; H59-D355 PolarHBondContact ND1-OD1 2.75Å; H59-D355 IonicContact ND1-OD2 3.92Å; H59-D355 PolarHBondContact ND1-OD2 2.86Å
60	H	96.6	Very high	97.6	Very high	48 Å²	48	38.6 Å²	38.6	22%	0.222	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-43.2	-179.4	-59.9	-80.4	0	0	0	112.2	H58 L62 R63 Q64 E311	H58-H60 PolarHBondContact O-CD2 2.96Å; H58-H60 PolarHBondContact O-N 3.46Å; H60-L62 PolarHBondContact O-N 2.94Å; H60-R63 PolarHBondContact CE1-NH2 2.89Å; H60-R63 PolarHBondContact ND1-NH2 3.46Å; H60-R63 PolarHBondContact O-N 2.85Å; H60-Q64 WeakPolarHBondContact O-CB 3.45Å; H60-Q64 PolarHBondContact O-N 3.09Å; H60-E311 IonicContact CE1-OE2 3.49Å; H60-E311 PolarHBondContact CE1-OE2 2.92Å; H60-E311 IonicContact CG-OE2 3.89Å; H60-E311 IonicContact ND1-OE2 2.77Å; H60-E311 PolarHBondContact ND1-OE2 3.11Å
61	D	98.1	Very high	97.6	Very high	139 Å²	139	39.1 Å²	39.1	74%	0.743	21%	0.209	S	C	*	.	H	α-helix	trans	-68	-35.4	-178.3	-63.7	-24.7	0	0	0	112.4	H59 Q64 A65	H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 PolarHBondContact O-N 3.36Å; D61-Q64 PolarHBondContact O-N 3.15Å; D61-A65 WeakPolarHBondContact O-CB 3.27Å; D61-A65 PolarHBondContact O-N 3.27Å
62	L	98.3	Very high	97.5	Very high	65 Å²	65	39.8 Å²	39.8	34%	0.34	22%	0.217	S	C	.	.	H	α-helix	trans	-69.5	-42.5	176.3	-66.9	177.2	0	0	0	111.4	H59 H60 Q64 A65 I66 D355	H59-L62 HydrophobicContact CB-CB 4.23Å; H59-L62 HydrophobicContact CB-CD1 4.09Å; H59-L62 HydrophobicContact CB-CG 4.49Å; H59-L62 PolarHBondContact O-N 2.89Å; H60-L62 PolarHBondContact O-N 2.94Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 2.89Å; L62-I66 PolarHBondContact O-N 2.84Å; L62-D355 HydrophobicContact CB-CB 4.24Å
63	R	98.3	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-41.5	172.5	-66.7	-167.4	-69.1	-82.8	2.6	111.5	S55 A56 R57 H59 H60 I66 R67 F88 E311	S55-R63 VanDerWaalsContact OG-CG 3.3Å; S55-R63 WeakPolarHBondContact OG-CG 3.27Å; S55-R63 PolarHBondContact OG-NH1 2.93Å; A56-R63 PolarHBondContact O-NH1 3.33Å; R57-R63 PolarHBondContact O-NH1 3.37Å; R57-R63 PolarHBondContact O-NH2 3.19Å; H59-R63 PolarHBondContact O-N 2.8Å; H59-R63 VanDerWaalsContact O-N 3.11Å; H59-R63 PolarHBondContact O-NH1 3.42Å; H60-R63 PolarHBondContact CE1-NH2 2.89Å; H60-R63 PolarHBondContact ND1-NH2 3.46Å; H60-R63 PolarHBondContact O-N 2.85Å; R63-I66 PolarHBondContact O-N 3.4Å; R63-R67 WeakPolarHBondContact O-CG 3.25Å; R63-R67 PolarHBondContact O-N 3.31Å; R63-F88 HydrophobicContact CB-CD1 4.25Å; R63-F88 HydrophobicContact CB-CD2 4.49Å; R63-F88 HydrophobicContact CB-CE1 3.9Å; R63-F88 HydrophobicContact CB-CE2 4.16Å; R63-F88 HydrophobicContact CB-CZ 3.85Å; R63-F88 HydrophobicContact CG-CD1 3.56Å; R63-F88 HydrophobicContact CG-CD2 4.34Å; R63-F88 HydrophobicContact CG-CE1 3.66Å; R63-F88 HydrophobicContact CG-CE2 4.42Å; R63-F88 HydrophobicContact CG-CG 3.92Å; R63-F88 HydrophobicContact CG-CZ 4.09Å; R63-E311 IonicContact CZ-OE1 2.75Å; R63-E311 IonicContact CZ-OE2 3.83Å; R63-E311 IonicContact NE-OE1 3.83Å; R63-E311 PolarHBondContact NE-OE1 2.75Å; R63-E311 IonicContact NE-OE2 2.81Å; R63-E311 PolarHBondContact NE-OE2 3.19Å; R63-E311 IonicContact NH2-OE1 3.29Å; R63-E311 IonicContact NH2-OE2 3.89Å; R63-E311 PolarHBondContact NH2-OE2 2.99Å
64	Q	98.3	Very high	97.2	Very high	67 Å²	67	44.3 Å²	44.3	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-43.5	175.8	-170.8	58.1	46	0	0	111.8	H60 D61 L62 I66 R67 D68	H60-Q64 WeakPolarHBondContact O-CB 3.45Å; H60-Q64 PolarHBondContact O-N 3.09Å; D61-Q64 PolarHBondContact O-N 3.15Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 3.08Å; Q64-I66 VanDerWaalsContact C-N 3.27Å; Q64-I66 PolarHBondContact O-N 3.37Å; Q64-R67 WeakPolarHBondContact O-CB 3.36Å; Q64-R67 PolarHBondContact O-N 2.73Å; Q64-R67 VanDerWaalsContact O-N 3.11Å; Q64-D68 VanDerWaalsContact NE2-CG 3.34Å; Q64-D68 PolarHBondContact NE2-OD1 2.85Å; Q64-D68 PolarHBondContact NE2-OD2 3.11Å; Q64-D68 WeakPolarHBondContact O-CB 3.43Å; Q64-D68 VanDerWaalsContact O-CG 3.27Å; Q64-D68 PolarHBondContact O-N 3.25Å
65	A	98.4	Very high	97	Very high	47 Å²	47	47.6 Å²	47.6	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-59.3	-38.4	175.5	0	0	0	0	0	112.2	D61 L62 D68 T69	D61-A65 WeakPolarHBondContact O-CB 3.27Å; D61-A65 PolarHBondContact O-N 3.27Å; L62-A65 PolarHBondContact O-N 2.89Å; A65-D68 PolarHBondContact O-N 2.68Å; A65-T69 WeakPolarHBondContact O-CB 3.4Å; A65-T69 VanDerWaalsContact O-CG2 3.25Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.8Å; A65-T69 PolarHBondContact O-OG1 3.42Å
66	I	98.4	Very high	96.8	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-47.1	173.8	-73	174.2	0	0	0	111	V53 L62 R63 Q64 D68 T69 W70 L71 F88 D355	V53-I66 HydrophobicContact CG1-CD1 3.91Å; L62-I66 PolarHBondContact O-N 2.84Å; R63-I66 PolarHBondContact O-N 3.4Å; Q64-I66 VanDerWaalsContact C-N 3.27Å; Q64-I66 PolarHBondContact O-N 3.37Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.28Å; I66-T69 CarbonylContact O-C 3.55Å; I66-T69 PolarHBondContact O-N 3.45Å; I66-T69 VanDerWaalsContact O-N 3.11Å; I66-T69 PolarHBondContact O-OG1 3.32Å; I66-W70 HydrophobicContact CD1-CZ2 4.23Å; I66-W70 HydrophobicContact CG1-CZ2 4.37Å; I66-W70 HydrophobicContact CG2-CD2 4.29Å; I66-W70 HydrophobicContact CG2-CH2 4.23Å; I66-W70 HydrophobicContact CG2-CZ2 3.52Å; I66-W70 PolarHBondContact O-N 3.01Å; I66-L71 HydrophobicContact CG2-CB 3.77Å; I66-L71 HydrophobicContact CG2-CD2 4.24Å; I66-L71 WeakPolarHBondContact O-CB 3.32Å; I66-L71 PolarHBondContact O-N 3.3Å; I66-L71 VanDerWaalsContact O-N 3.13Å; I66-F88 HydrophobicContact CB-CE1 4.19Å; I66-F88 HydrophobicContact CB-CZ 4Å; I66-F88 HydrophobicContact CD1-CE1 3.98Å; I66-F88 HydrophobicContact CG2-CE1 4.04Å; I66-F88 HydrophobicContact CG2-CZ 3.74Å; I66-D355 HydrophobicContact CD1-CB 4.13Å
67	R	98.1	Very high	96.5	Very high	21 Å²	21	55 Å²	55	8%	0.079	29%	0.29	C	S	.	.	I	π-helix	trans	-57	-42.1	175.6	-70.3	175.3	-172.1	119.4	2.6	112	R63 Q64 T69 L71 G72 F88 E311 D317	R63-R67 WeakPolarHBondContact O-CG 3.25Å; R63-R67 PolarHBondContact O-N 3.31Å; Q64-R67 WeakPolarHBondContact O-CB 3.36Å; Q64-R67 PolarHBondContact O-N 2.73Å; Q64-R67 VanDerWaalsContact O-N 3.11Å; R67-T69 PolarHBondContact O-N 2.91Å; R67-L71 HydrophobicContact CG-CD2 3.83Å; R67-G72 WeakPolarHBondContact O-CA 3.49Å; R67-G72 PolarHBondContact O-N 3.44Å; R67-F88 HydrophobicContact CG-CE2 4.28Å; R67-F88 HydrophobicContact CG-CZ 4.46Å; R67-E311 IonicContact CZ-OE1 2.76Å; R67-E311 VanDerWaalsContact CZ-OE1 3.25Å; R67-E311 IonicContact NH1-OE1 2.73Å; R67-E311 PolarHBondContact NH1-OE1 2.85Å; R67-E311 IonicContact NH2-OE1 3.5Å; R67-E311 PolarHBondContact NH2-OE1 3.36Å; R67-D317 IonicContact CZ-OD1 3.72Å; R67-D317 IonicContact CZ-OD2 3.7Å; R67-D317 IonicContact NE-OD1 3.35Å; R67-D317 IonicContact NE-OD2 2.78Å; R67-D317 PolarHBondContact NE-OD2 2.69Å; R67-D317 IonicContact NH2-OD1 2.8Å; R67-D317 PolarHBondContact NH2-OD1 3.18Å; R67-D317 IonicContact NH2-OD2 3.25Å; R67-D317 PolarHBondContact NH2-OD2 3.45Å
68	D	97.8	Very high	96.2	Very high	115 Å²	115	59 Å²	59	62%	0.615	32%	0.317	S	S	*	.	I	π-helix	trans	-76.7	-6.9	-179.1	-64.6	-19.2	0	0	0	113.4	Q64 A65 I66	Q64-D68 VanDerWaalsContact NE2-CG 3.34Å; Q64-D68 PolarHBondContact NE2-OD1 2.85Å; Q64-D68 PolarHBondContact NE2-OD2 3.11Å; Q64-D68 WeakPolarHBondContact O-CB 3.43Å; Q64-D68 VanDerWaalsContact O-CG 3.27Å; Q64-D68 PolarHBondContact O-N 3.25Å; A65-D68 PolarHBondContact O-N 2.68Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.28Å
69	T	96.9	Very high	95.7	Very high	71 Å²	71	59.5 Å²	59.5	44%	0.436	32%	0.319	S	S	.	.	I	π-helix	trans	-121.1	-109.6	-177.5	59.3	0	0	0	0	112	A65 I66 R67 L71 G72 Y73	A65-T69 WeakPolarHBondContact O-CB 3.4Å; A65-T69 VanDerWaalsContact O-CG2 3.25Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.8Å; A65-T69 PolarHBondContact O-OG1 3.42Å; I66-T69 CarbonylContact O-C 3.55Å; I66-T69 PolarHBondContact O-N 3.45Å; I66-T69 VanDerWaalsContact O-N 3.11Å; I66-T69 PolarHBondContact O-OG1 3.32Å; R67-T69 PolarHBondContact O-N 2.91Å; T69-L71 PolarHBondContact O-N 3.13Å; T69-G72 PolarHBondContact O-N 3.32Å; T69-Y73 PolarHBondContact O-N 3.01Å
70	W	96.3	Very high	95.3	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.015	31%	0.31	C	S	.	.	I	π-helix	trans	-73.4	-26.8	-168.2	63.6	-92.2	0	0	0	113	V51 V53 I66 I74 V86 T353 C357 Y358 I359 V361	V51-W70 HydrophobicContact CG1-CH2 3.89Å; V51-W70 HydrophobicContact CG1-CZ3 4.29Å; V53-W70 HydrophobicContact CG2-CH2 3.89Å; V53-W70 HydrophobicContact CG2-CZ2 4.08Å; I66-W70 HydrophobicContact CD1-CZ2 4.23Å; I66-W70 HydrophobicContact CG1-CZ2 4.37Å; I66-W70 HydrophobicContact CG2-CD2 4.29Å; I66-W70 HydrophobicContact CG2-CH2 4.23Å; I66-W70 HydrophobicContact CG2-CZ2 3.52Å; I66-W70 PolarHBondContact O-N 3.01Å; W70-I74 HydrophobicContact CE3-CD1 3.67Å; W70-I74 HydrophobicContact CZ3-CD1 3.8Å; W70-I74 WeakPolarHBondContact O-CG1 3.15Å; W70-I74 PolarHBondContact O-N 2.98Å; W70-I74 VanDerWaalsContact O-N 3.08Å; W70-V86 HydrophobicContact CH2-CG1 3.86Å; W70-V86 HydrophobicContact CH2-CG2 4.42Å; W70-V86 HydrophobicContact CZ3-CG1 4.19Å; W70-V86 HydrophobicContact CZ3-CG2 3.91Å; W70-T353 HydrophobicContact CZ2-CG2 4.49Å; W70-C357 PolarHBondContact NE1-O 2.92Å; W70-Y358 HydrophobicContact CB-CD2 4.31Å; W70-Y358 HydrophobicContact CB-CE2 3.91Å; W70-Y358 AromaticContact CD1-CD2 3.87Å; W70-Y358 HydrophobicContact CG-CD2 4.4Å; W70-Y358 HydrophobicContact CG-CE2 4.48Å; W70-I359 HydrophobicContact CD2-CB 4.14Å; W70-I359 HydrophobicContact CE3-CB 4.17Å; W70-I359 HydrophobicContact CH2-CG1 4.37Å; W70-I359 HydrophobicContact CZ2-CG1 4.22Å; W70-I359 HydrophobicContact CZ3-CB 4.44Å; W70-V361 HydrophobicContact CE3-CG2 4Å
71	L	96.9	Very high	94.9	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	32%	0.319	C	S	.	.	I	π-helix	trans	-72.8	-41.9	171.6	171.5	54.4	0	0	0	111.4	I66 R67 T69 Y73 I74 T75 V86 F88	I66-L71 HydrophobicContact CG2-CB 3.77Å; I66-L71 HydrophobicContact CG2-CD2 4.24Å; I66-L71 WeakPolarHBondContact O-CB 3.32Å; I66-L71 PolarHBondContact O-N 3.3Å; I66-L71 VanDerWaalsContact O-N 3.13Å; R67-L71 HydrophobicContact CG-CD2 3.83Å; T69-L71 PolarHBondContact O-N 3.13Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.44Å; L71-I74 PolarHBondContact O-N 3.43Å; L71-T75 PolarHBondContact O-N 3.37Å; L71-T75 PolarHBondContact O-OG1 2.77Å; L71-V86 HydrophobicContact CD1-CB 3.62Å; L71-V86 HydrophobicContact CD1-CG1 4.24Å; L71-V86 HydrophobicContact CD1-CG2 3.61Å; L71-V86 HydrophobicContact CD2-CB 4.37Å; L71-V86 HydrophobicContact CD2-CG1 4.24Å; L71-F88 HydrophobicContact CD2-CE2 4.02Å; L71-F88 HydrophobicContact CD2-CZ 4.14Å
72	G	96.3	Very high	94.4	Very high	18 Å²	18	59.4 Å²	59.4	19%	0.186	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-46.9	172.5	0	0	0	0	0	111.1	R67 T69 I74 T75 D76	R67-G72 WeakPolarHBondContact O-CA 3.49Å; R67-G72 PolarHBondContact O-N 3.44Å; T69-G72 PolarHBondContact O-N 3.32Å; G72-I74 PolarHBondContact O-N 3.11Å; G72-T75 PolarHBondContact O-N 3.39Å; G72-T75 VanDerWaalsContact O-N 3.08Å; G72-D76 PolarHBondContact O-N 3.03Å
73	Y	95.6	Very high	94	Very high	93 Å²	93	59.6 Å²	59.6	37%	0.365	31%	0.31	S	S	.	.	H	α-helix	trans	-55.4	-47.3	173.7	172.7	-108.5	0	0	0	113.2	T69 L71 T75 D76 H77 F80 D362	T69-Y73 PolarHBondContact O-N 3.01Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.44Å; Y73-T75 VanDerWaalsContact C-N 3.27Å; Y73-T75 PolarHBondContact O-N 3.28Å; Y73-D76 PolarHBondContact O-N 3.5Å; Y73-H77 HydrophobicContact CE2-CB 4.49Å; Y73-H77 AromaticContact CE2-CD2 3.75Å; Y73-H77 AromaticContact CZ-CD2 3.84Å; Y73-H77 WeakPolarHBondContact O-CB 3.32Å; Y73-H77 PolarHBondContact O-N 2.92Å; Y73-F80 AromaticContact CE1-CD2 3.99Å; Y73-F80 HydrophobicContact CE1-CD2 3.99Å; Y73-F80 AromaticContact CE1-CE2 3.8Å; Y73-F80 HydrophobicContact CE1-CE2 3.8Å; Y73-D362 WeakPolarHBondContact CE1-OD2 3.39Å; Y73-D362 VanDerWaalsContact CZ-OD2 3.25Å; Y73-D362 PolarHBondContact OH-OD1 3.08Å; Y73-D362 PolarHBondContact OH-OD2 3.2Å
74	I	94.4	Very high	93.8	Very high	3 Å²	3	60 Å²	60	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-43.6	175.8	-70.9	162.7	0	0	0	111.2	W70 L71 G72 H77 F80 Q81 V84 V86 V361	W70-I74 HydrophobicContact CE3-CD1 3.67Å; W70-I74 HydrophobicContact CZ3-CD1 3.8Å; W70-I74 WeakPolarHBondContact O-CG1 3.15Å; W70-I74 PolarHBondContact O-N 2.98Å; W70-I74 VanDerWaalsContact O-N 3.08Å; L71-I74 PolarHBondContact O-N 3.43Å; G72-I74 PolarHBondContact O-N 3.11Å; I74-H77 PolarHBondContact O-N 2.81Å; I74-F80 HydrophobicContact CG2-CB 4.18Å; I74-Q81 WeakPolarHBondContact O-CA 3.1Å; I74-Q81 PolarHBondContact O-N 2.79Å; I74-V84 HydrophobicContact CD1-CG1 3.99Å; I74-V84 HydrophobicContact CG2-CB 3.91Å; I74-V84 HydrophobicContact CG2-CG1 4.25Å; I74-V86 HydrophobicContact CD1-CG2 3.79Å; I74-V361 HydrophobicContact CD1-CB 4.49Å; I74-V361 HydrophobicContact CD1-CG1 4.22Å; I74-V361 HydrophobicContact CD1-CG2 3.61Å; I74-V361 HydrophobicContact CG1-CB 4.31Å; I74-V361 HydrophobicContact CG1-CG1 4.04Å; I74-V361 HydrophobicContact CG1-CG2 3.81Å
75	T	92.8	Very high	93.7	Very high	78 Å²	78	57.3 Å²	57.3	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-38	-172.7	-53.2	0	0	0	0	111.4	L71 G72 Y73 Q81	L71-T75 PolarHBondContact O-N 3.37Å; L71-T75 PolarHBondContact O-OG1 2.77Å; G72-T75 PolarHBondContact O-N 3.39Å; G72-T75 VanDerWaalsContact O-N 3.08Å; Y73-T75 VanDerWaalsContact C-N 3.27Å; Y73-T75 PolarHBondContact O-N 3.28Å; T75-Q81 WeakPolarHBondContact O-CB 3.35Å
76	D	92.7	Very high	93.7	Very high	133 Å²	133	55.6 Å²	55.6	71%	0.711	29%	0.286	S	S	*	.	H	α-helix	trans	-84.8	-19.2	179.9	-65.7	-21.8	0	0	0	112.9	G72 Y73 P78	G72-D76 PolarHBondContact O-N 3.03Å; Y73-D76 PolarHBondContact O-N 3.5Å; D76-P78 WeakPolarHBondContact O-CD 3.35Å
77	H	92.6	Very high	93.7	Very high	50 Å²	50	58 Å²	58	23%	0.231	30%	0.296	C	S	.	.			trans	-79.1	119.1	-174.2	-165.2	-90.6	0	0	0	111.9	Y73 I74 H79 F80 Q81	Y73-H77 HydrophobicContact CE2-CB 4.49Å; Y73-H77 AromaticContact CE2-CD2 3.75Å; Y73-H77 AromaticContact CZ-CD2 3.84Å; Y73-H77 WeakPolarHBondContact O-CB 3.32Å; Y73-H77 PolarHBondContact O-N 2.92Å; I74-H77 PolarHBondContact O-N 2.81Å; H77-H79 AromaticContact CE1-CD2 3.94Å; H77-H79 PolarHBondContact O-N 2.8Å; H77-F80 HydrophobicContact CB-CB 4.19Å; H77-F80 HydrophobicContact CB-CD2 3.82Å; H77-F80 HydrophobicContact CB-CG 4.29Å; H77-F80 AromaticContact CE1-CE2 3.85Å; H77-F80 AromaticContact CG-CD2 3.62Å; H77-F80 AromaticContact ND1-CD2 3.36Å; H77-F80 WeakPolarHBondContact ND1-CD2 3.42Å; H77-F80 AromaticContact ND1-CE2 3.63Å; H77-F80 AromaticContact ND1-CG 3.6Å; H77-F80 PolarHBondContact O-N 2.78Å; H77-Q81 PolarHBondContact O-N 3.35Å; H77-Q81 VanDerWaalsContact O-N 3.07Å
78	P	90.3	Very high	93.7	Very high	91 Å²	91	57 Å²	57	59%	0.591	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30	-171.1	-26.8	34	0	0	0	114.8	D76 Q81	D76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-Q81 PolarHBondContact O-NE2 2.99Å
79	H	86	Confident	93.7	Very high	134 Å²	134	51.5 Å²	51.5	62%	0.62	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.6	179.7	-66.6	-70.8	0	0	0	113.9	H77 R83	H77-H79 AromaticContact CE1-CD2 3.94Å; H77-H79 PolarHBondContact O-N 2.8Å; H79-R83 WeakPolarHBondContact O-CD 3.14Å; H79-R83 WeakPolarHBondContact O-CG 3.36Å
80	F	88.6	Confident	93.8	Very high	14 Å²	14	48.1 Å²	48.1	6%	0.061	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-30.6	-173.4	-59.1	-29.1	0	0	0	113.6	Y73 I74 H77 H82 R83 V84 D362 L365	Y73-F80 AromaticContact CE1-CD2 3.99Å; Y73-F80 HydrophobicContact CE1-CD2 3.99Å; Y73-F80 AromaticContact CE1-CE2 3.8Å; Y73-F80 HydrophobicContact CE1-CE2 3.8Å; I74-F80 HydrophobicContact CG2-CB 4.18Å; H77-F80 HydrophobicContact CB-CB 4.19Å; H77-F80 HydrophobicContact CB-CD2 3.82Å; H77-F80 HydrophobicContact CB-CG 4.29Å; H77-F80 AromaticContact CE1-CE2 3.85Å; H77-F80 AromaticContact CG-CD2 3.62Å; H77-F80 AromaticContact ND1-CD2 3.36Å; H77-F80 WeakPolarHBondContact ND1-CD2 3.42Å; H77-F80 AromaticContact ND1-CE2 3.63Å; H77-F80 AromaticContact ND1-CG 3.6Å; H77-F80 PolarHBondContact O-N 2.78Å; F80-H82 PolarHBondContact O-N 3.39Å; F80-R83 PolarHBondContact O-N 3.34Å; F80-V84 PolarHBondContact O-N 2.84Å; F80-D362 VanDerWaalsContact CE2-OD1 3.26Å; F80-D362 WeakPolarHBondContact CE2-OD1 3.39Å; F80-D362 WeakPolarHBondContact CZ-OD1 3.32Å; F80-L365 HydrophobicContact CD1-CD1 3.49Å; F80-L365 VanDerWaalsContact CD1-CD1 3.49Å; F80-L365 HydrophobicContact CE1-CD1 3.37Å; F80-L365 HydrophobicContact CG-CD1 4.24Å; F80-L365 HydrophobicContact CZ-CD1 4.01Å
81	Q	87.6	Confident	93.9	Very high	87 Å²	87	47.9 Å²	47.9	41%	0.407	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-24.8	-178.7	62.6	175.5	-13.8	0	0	115.1	I74 T75 H77 P78	I74-Q81 WeakPolarHBondContact O-CA 3.1Å; I74-Q81 PolarHBondContact O-N 2.79Å; T75-Q81 WeakPolarHBondContact O-CB 3.35Å; H77-Q81 PolarHBondContact O-N 3.35Å; H77-Q81 VanDerWaalsContact O-N 3.07Å; P78-Q81 PolarHBondContact O-NE2 2.99Å
82	H	87.9	Confident	94	Very high	138 Å²	138	52.7 Å²	52.7	64%	0.639	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.2	177.8	-56.3	-44.7	0	0	0	113.8	F80	F80-H82 PolarHBondContact O-N 3.39Å
83	R	90.4	Very high	94	Very high	69 Å²	69	55.9 Å²	55.9	26%	0.26	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-29.1	-178.3	-68.5	-177.3	70.6	-165.7	-0.8	112.3	D48 V49 H79 F80 D369	D48-R83 WeakPolarHBondContact CA-O 3.39Å; D48-R83 HydrophobicContact CB-CB 4.27Å; D48-R83 WeakPolarHBondContact CB-O 3.46Å; D48-R83 PolarHBondContact N-O 3.23Å; D48-R83 IonicContact OD2-CZ 3.34Å; D48-R83 IonicContact OD2-NE 3.76Å; D48-R83 PolarHBondContact OD2-NE 2.86Å; D48-R83 IonicContact OD2-NH2 2.84Å; D48-R83 PolarHBondContact OD2-NH2 2.94Å; V49-R83 PolarHBondContact N-O 2.95Å; V49-R83 VanDerWaalsContact N-O 3.14Å; H79-R83 WeakPolarHBondContact O-CD 3.14Å; H79-R83 WeakPolarHBondContact O-CG 3.36Å; F80-R83 PolarHBondContact O-N 3.34Å; R83-D369 IonicContact NH2-OD1 2.79Å; R83-D369 IonicContact NH2-OD2 3.67Å; R83-D369 PolarHBondContact NH2-OD2 3.48Å
84	V	94.8	Very high	94.1	Very high	8 Å²	8	52 Å²	52	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	-174.1	-175.2	0	0	0	0	109.5	V49 V51 I74 F80 V86 V361 L365	V49-V84 HydrophobicContact CB-CG2 4.43Å; V49-V84 WeakPolarHBondContact O-CA 3.37Å; V51-V84 HydrophobicContact CG2-CG1 3.82Å; I74-V84 HydrophobicContact CD1-CG1 3.99Å; I74-V84 HydrophobicContact CG2-CB 3.91Å; I74-V84 HydrophobicContact CG2-CG1 4.25Å; F80-V84 PolarHBondContact O-N 2.84Å; V84-V86 HydrophobicContact CG1-CG2 4.31Å; V84-V361 HydrophobicContact CG2-CG1 4.43Å; V84-L365 HydrophobicContact CG2-CD1 4Å; V84-L365 HydrophobicContact CG2-CD2 4.31Å
85	A	95.8	Very high	94.3	Very high	11 Å²	11	52.2 Å²	52.2	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.7	167.6	0	0	0	0	0	109.4	F47 V49 L50 V51	F47-A85 HydrophobicContact CD1-CB 3.63Å; F47-A85 HydrophobicContact CD2-CB 3.78Å; F47-A85 HydrophobicContact CE1-CB 3.61Å; F47-A85 HydrophobicContact CE2-CB 3.74Å; F47-A85 HydrophobicContact CG-CB 3.71Å; F47-A85 HydrophobicContact CZ-CB 3.66Å; V49-A85 PolarHBondContact O-N 3.23Å; L50-A85 CarbonylContact C-O 3.56Å; L50-A85 HydrophobicContact CD1-CB 3.84Å; V51-A85 PolarHBondContact N-O 3Å
86	V	97.6	Very high	94.5	Very high	11 Å²	11	52 Å²	52	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.9	174.7	-173.7	0	0	0	0	109.1	V51 V53 W70 L71 I74 V84	V51-V86 HydrophobicContact CB-CB 4.32Å; V51-V86 HydrophobicContact CB-CG1 4.18Å; V51-V86 HydrophobicContact CB-CG2 3.98Å; V51-V86 HydrophobicContact CG1-CG1 4.28Å; V51-V86 HydrophobicContact CG2-CG2 4.14Å; V51-V86 CarbonylContact O-C 3.44Å; V51-V86 WeakPolarHBondContact O-CA 3.44Å; V53-V86 HydrophobicContact CG2-CG1 3.84Å; W70-V86 HydrophobicContact CH2-CG1 3.86Å; W70-V86 HydrophobicContact CH2-CG2 4.42Å; W70-V86 HydrophobicContact CZ3-CG1 4.19Å; W70-V86 HydrophobicContact CZ3-CG2 3.91Å; L71-V86 HydrophobicContact CD1-CB 3.62Å; L71-V86 HydrophobicContact CD1-CG1 4.24Å; L71-V86 HydrophobicContact CD1-CG2 3.61Å; L71-V86 HydrophobicContact CD2-CB 4.37Å; L71-V86 HydrophobicContact CD2-CG1 4.24Å; I74-V86 HydrophobicContact CD1-CG2 3.79Å; V84-V86 HydrophobicContact CG1-CG2 4.31Å
87	K	98.3	Very high	94.8	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.235	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.7	177.6	-64.9	-61.6	179	-166.3	0	110.8	L50 V51 G52 V53 G316 D317 V319 F337 W340	L50-K87 HydrophobicContact CD1-CG 4.24Å; V51-K87 PolarHBondContact O-N 3.43Å; G52-K87 WeakPolarHBondContact CA-O 3.46Å; V53-K87 PolarHBondContact N-O 3.11Å; K87-G316 PolarHBondContact NZ-O 2.66Å; K87-D317 CarbonylContact C-O 3.55Å; K87-D317 VanDerWaalsContact CA-O 3.25Å; K87-D317 WeakPolarHBondContact CA-O 3.22Å; K87-V319 HydrophobicContact CB-CG2 3.86Å; K87-V319 HydrophobicContact CD-CG2 3.98Å; K87-V319 HydrophobicContact CG-CG2 3.99Å; K87-F337 HydrophobicContact CB-CE2 4.15Å; K87-F337 HydrophobicContact CB-CZ 4.33Å; K87-W340 HydrophobicContact CD-CH2 4.3Å; K87-W340 HydrophobicContact CG-CH2 3.98Å; K87-W340 HydrophobicContact CG-CZ3 4.12Å
88	F	98.7	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.2	168.6	-63.6	-73.2	0	0	0	109.7	V53 R63 I66 R67 L71 D317 V318 V319	V53-F88 HydrophobicContact CB-CD1 3.73Å; V53-F88 HydrophobicContact CB-CE1 4.09Å; V53-F88 HydrophobicContact CG1-CD1 3.82Å; V53-F88 HydrophobicContact CG1-CE1 3.93Å; V53-F88 HydrophobicContact CG2-CD1 4.37Å; V53-F88 HydrophobicContact CG2-CE1 4.36Å; V53-F88 CarbonylContact O-C 3.56Å; V53-F88 WeakPolarHBondContact O-CA 3.42Å; R63-F88 HydrophobicContact CB-CD1 4.25Å; R63-F88 HydrophobicContact CB-CD2 4.49Å; R63-F88 HydrophobicContact CB-CE1 3.9Å; R63-F88 HydrophobicContact CB-CE2 4.16Å; R63-F88 HydrophobicContact CB-CZ 3.85Å; R63-F88 HydrophobicContact CG-CD1 3.56Å; R63-F88 HydrophobicContact CG-CD2 4.34Å; R63-F88 HydrophobicContact CG-CE1 3.66Å; R63-F88 HydrophobicContact CG-CE2 4.42Å; R63-F88 HydrophobicContact CG-CG 3.92Å; R63-F88 HydrophobicContact CG-CZ 4.09Å; I66-F88 HydrophobicContact CB-CE1 4.19Å; I66-F88 HydrophobicContact CB-CZ 4Å; I66-F88 HydrophobicContact CD1-CE1 3.98Å; I66-F88 HydrophobicContact CG2-CE1 4.04Å; I66-F88 HydrophobicContact CG2-CZ 3.74Å; R67-F88 HydrophobicContact CG-CE2 4.28Å; R67-F88 HydrophobicContact CG-CZ 4.46Å; L71-F88 HydrophobicContact CD2-CE2 4.02Å; L71-F88 HydrophobicContact CD2-CZ 4.14Å; F88-D317 HydrophobicContact CD2-CB 4.26Å; F88-D317 WeakPolarHBondContact CE2-OD2 3.25Å; F88-D317 PolarHBondContact N-O 3.42Å; F88-V318 HydrophobicContact CB-CG2 4.48Å; F88-V319 PolarHBondContact O-N 2.97Å
89	I	98.5	Very high	95.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.2	180	-47.1	167.7	0	0	0	107.2	V53 L54 S55 V321 K333 F337	V53-I89 PolarHBondContact O-N 2.96Å; L54-I89 HydrophobicContact CD2-CB 4.14Å; L54-I89 HydrophobicContact CD2-CD1 3.89Å; L54-I89 HydrophobicContact CD2-CG2 4.25Å; L54-I89 HydrophobicContact CG-CD1 4.41Å; S55-I89 PolarHBondContact N-O 2.96Å; S55-I89 VanDerWaalsContact N-O 3.08Å; S55-I89 VanDerWaalsContact O-O 3.08Å; I89-V321 HydrophobicContact CG2-CG1 4.24Å; I89-V321 HydrophobicContact CG2-CG2 3.92Å; I89-K333 VanDerWaalsContact C-CE 3.47Å; I89-K333 HydrophobicContact CG2-CG 3.86Å; I89-K333 WeakPolarHBondContact O-CE 3.33Å; I89-K333 PolarHBondContact O-NZ 3.14Å; I89-F337 HydrophobicContact CD1-CB 3.86Å; I89-F337 HydrophobicContact CD1-CD1 3.34Å; I89-F337 HydrophobicContact CD1-CD2 3.92Å; I89-F337 HydrophobicContact CD1-CE1 3.75Å; I89-F337 HydrophobicContact CD1-CE2 4.28Å; I89-F337 HydrophobicContact CD1-CG 3.41Å; I89-F337 VanDerWaalsContact CD1-CG 3.41Å; I89-F337 HydrophobicContact CD1-CZ 4.2Å; I89-F337 HydrophobicContact CG1-CB 4.19Å; I89-F337 HydrophobicContact CG1-CD1 3.99Å; I89-F337 HydrophobicContact CG1-CD2 3.6Å; I89-F337 HydrophobicContact CG1-CE1 4.23Å; I89-F337 HydrophobicContact CG1-CE2 3.86Å; I89-F337 HydrophobicContact CG1-CG 3.65Å; I89-F337 HydrophobicContact CG1-CZ 4.16Å; I89-F337 HydrophobicContact CG2-CB 3.84Å; I89-F337 HydrophobicContact CG2-CD2 4.28Å; I89-F337 HydrophobicContact CG2-CG 4.2Å
90	V	98.5	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.8	-177.8	-177.7	0	0	0	0	109.3	R57 R92 L308 V318 V319 F320 V321	R57-V90 HydrophobicContact CB-CG1 4.39Å; R57-V90 HydrophobicContact CG-CG1 3.58Å; V90-R92 PolarHBondContact O-N 3.47Å; V90-L308 HydrophobicContact CG1-CD1 4.32Å; V90-L308 HydrophobicContact CG1-CD2 4.49Å; V90-V318 HydrophobicContact CB-CG1 4.14Å; V90-V318 HydrophobicContact CG2-CG1 3.87Å; V90-V319 PolarHBondContact N-O 3.4Å; V90-F320 HydrophobicContact CB-CD1 4.18Å; V90-F320 HydrophobicContact CB-CE1 4.28Å; V90-F320 HydrophobicContact CG1-CD1 4.25Å; V90-F320 HydrophobicContact CG1-CE1 4.15Å; V90-F320 WeakPolarHBondContact O-CA 3.31Å; V90-V321 WeakPolarHBondContact O-CG2 3.32Å; V90-V321 PolarHBondContact O-N 3.43Å
91	G	98.1	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.8	175.1	0	0	0	0	0	110.4	R57 H93 D325	R57-G91 PolarHBondContact NH1-O 3.49Å; G91-H93 PolarHBondContact O-N 3.06Å; G91-D325 WeakPolarHBondContact CA-OD2 3.45Å; G91-D325 PolarHBondContact N-OD2 2.81Å
92	R	98.1	Very high	96.1	Very high	115 Å²	115	39.8 Å²	39.8	43%	0.434	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	-31.3	-176.8	-178.9	174.9	-67.9	-171.9	-0.1	112.7	R57 V90 F320 V321 V323	R57-R92 PolarHBondContact NH1-O 3.47Å; V90-R92 PolarHBondContact O-N 3.47Å; R92-F320 HydrophobicContact CB-CB 4.34Å; R92-V321 VanDerWaalsContact CB-O 3.24Å; R92-V321 WeakPolarHBondContact CB-O 3.37Å; R92-V321 PolarHBondContact N-O 2.76Å; R92-V323 PolarHBondContact N-O 2.79Å
93	H	98	Very high	96.3	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.389	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.6	-175.9	-51.3	-68.1	0	0	0	110.6	R57 G91 D322 V323 V324 D325	R57-H93 VanDerWaalsContact NH1-C 3.32Å; G91-H93 PolarHBondContact O-N 3.06Å; H93-D322 IonicContact CD2-OD1 3.47Å; H93-D322 PolarHBondContact CD2-OD1 3.23Å; H93-D322 IonicContact CE1-OD1 2.86Å; H93-D322 IonicContact NE2-OD1 2.72Å; H93-D322 PolarHBondContact NE2-OD1 2.81Å; H93-V323 PolarHBondContact N-O 3.07Å; H93-V323 VanDerWaalsContact N-O 3.11Å; H93-V324 HydrophobicContact CB-CG2 4.21Å; H93-V324 CarbonylContact O-C 3.49Å; H93-V324 WeakPolarHBondContact O-CA 3.12Å; H93-D325 PolarHBondContact O-N 3.08Å
94	G	97.4	Very high	96.2	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	16%	0.164	C	C	.	.			trans	-78.7	153.1	165.5	0	0	0	0	0	110.5	R57 P96	R57-G94 VanDerWaalsContact CZ-N 3.29Å; G94-P96 WeakPolarHBondContact O-CD 3.26Å
95	C	97.8	Very high	96	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.041	19%	0.187	C	C	.	.			trans	-66.3	120.8	174.6	175.8	0	0	0	0	110.2	I97 R102 C108 H297 L301 V324 T326	C95-I97 PolarHBondContact O-N 3.46Å; C95-I97 VanDerWaalsContact O-N 3.12Å; C95-R102 VanDerWaalsContact SG-CZ 3.6Å; C95-R102 PolarHBondContact SG-NE 3.01Å; C95-C108 WeakPolarHBondContact CA-SG 3.49Å; C95-C108 HydrophobicContact CB-CB 3.87Å; C95-C108 WeakPolarHBondContact CB-SG 3.48Å; C95-C108 WeakPolarHBondContact SG-CA 3.14Å; C95-C108 WeakPolarHBondContact SG-CB 3.16Å; C95-C108 CovalentContact SG-SG 2.03Å; C95-C108 PolarHBondContact SG-SG 2.87Å; C95-H297 PolarHBondContact O-NE2 3.47Å; C95-L301 WeakPolarHBondContact O-CD1 3.21Å; C95-V324 HydrophobicContact CB-CG1 3.93Å; C95-T326 HydrophobicContact CB-CG2 3.93Å
96	P	97.4	Very high	95.8	Very high	74 Å²	74	39.1 Å²	39.1	48%	0.481	20%	0.196	S	C	.	.	S	Bend	trans	-69.6	-6.5	-178.3	28.4	-37.9	0	0	0	114.2	G94 C108 H297	G94-P96 WeakPolarHBondContact O-CD 3.26Å; P96-C108 VanDerWaalsContact CD-SG 3.57Å; P96-H297 PolarHBondContact O-CD2 3.39Å
97	I	98.2	Very high	95.5	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.087	20%	0.197	C	C	.	.	S	Bend	trans	-99.2	124.8	-177.4	-49.9	-177.9	0	0	0	108.7	C95 D101 R102 C108 L110	C95-I97 PolarHBondContact O-N 3.46Å; C95-I97 VanDerWaalsContact O-N 3.12Å; I97-D101 HydrophobicContact CG2-CB 3.89Å; I97-D101 WeakPolarHBondContact CG2-O 3.15Å; I97-R102 HydrophobicContact CB-CG 4.06Å; I97-R102 HydrophobicContact CG2-CG 3.71Å; I97-R102 VanDerWaalsContact O-CZ 3.24Å; I97-R102 PolarHBondContact O-NE 2.76Å; I97-R102 PolarHBondContact O-NH2 2.66Å; I97-C108 VanDerWaalsContact CD1-O 3.29Å; I97-C108 WeakPolarHBondContact CD1-O 3.33Å; I97-L110 HydrophobicContact CD1-CB 3.76Å; I97-L110 HydrophobicContact CD1-CD1 4.23Å; I97-L110 VanDerWaalsContact CD1-N 3.34Å; I97-L110 HydrophobicContact CG2-CD1 3.87Å
98	P	96.5	Very high	95.3	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.032	20%	0.197	C	C	.	.			trans	-58.9	149.7	171.5	-16.2	25.7	0	0	0	111.8	E100 D101 R102 R293 M294 H297	P98-E100 VanDerWaalsContact CB-OE2 3.3Å; P98-E100 WeakPolarHBondContact CB-OE2 3.3Å; P98-E100 PolarHBondContact O-N 3.24Å; P98-D101 PolarHBondContact O-N 3.35Å; P98-R102 WeakPolarHBondContact O-CG 3.12Å; P98-R102 PolarHBondContact O-N 3.02Å; P98-R293 HydrophobicContact CG-CB 4.22Å; P98-M294 HydrophobicContact CG-CG 4.44Å; P98-H297 HydrophobicContact CB-CB 4.33Å; P98-H297 HydrophobicContact CG-CB 3.73Å
99	D	93.6	Very high	95.1	Very high	100 Å²	100	40.8 Å²	40.8	54%	0.535	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.1	-34.8	-176.4	-68.9	-15.1	0	0	0	113	D101 R102	D99-D101 VanDerWaalsContact C-N 3.27Å; D99-D101 PolarHBondContact O-N 2.81Å; D99-R102 PolarHBondContact O-N 3.18Å; D99-R102 IonicContact OD1-CZ 2.73Å; D99-R102 IonicContact OD1-NE 3.59Å; D99-R102 IonicContact OD1-NH1 2.88Å; D99-R102 PolarHBondContact OD1-NH1 2.86Å; D99-R102 IonicContact OD1-NH2 3.93Å; D99-R102 PolarHBondContact OD1-NH2 3.33Å
100	E	93.1	Very high	94.9	Very high	107 Å²	107	44.1 Å²	44.1	50%	0.5	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.9	-30.7	-179.7	-48.9	88.9	176.3	0	0	112.3	P98 K215 L286	P98-E100 VanDerWaalsContact CB-OE2 3.3Å; P98-E100 WeakPolarHBondContact CB-OE2 3.3Å; P98-E100 PolarHBondContact O-N 3.24Å; E100-K215 PolarHBondContact O-NZ 2.63Å; E100-L286 HydrophobicContact CB-CD1 4.31Å
101	D	95.7	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-92.9	7.2	-178.3	-73.5	-71.3	0	0	0	113	I97 P98 D99 L110 L111 R290 R293	I97-D101 HydrophobicContact CG2-CB 3.89Å; I97-D101 WeakPolarHBondContact CG2-O 3.15Å; P98-D101 PolarHBondContact O-N 3.35Å; D99-D101 VanDerWaalsContact C-N 3.27Å; D99-D101 PolarHBondContact O-N 2.81Å; D101-L110 HydrophobicContact CB-CD1 4.46Å; D101-L111 WeakPolarHBondContact O-CB 3.35Å; D101-L111 PolarHBondContact O-N 3.48Å; D101-R290 WeakPolarHBondContact OD1-CG 3.22Å; D101-R290 IonicContact OD1-CZ 3.26Å; D101-R290 IonicContact OD1-NE 2.66Å; D101-R290 PolarHBondContact OD1-NE 2.78Å; D101-R290 IonicContact OD1-NH2 2.65Å; D101-R293 IonicContact OD1-CZ 2.63Å; D101-R293 IonicContact OD1-NH2 3.63Å; D101-R293 PolarHBondContact OD1-NH2 3.49Å; D101-R293 IonicContact OD2-CZ 2.76Å; D101-R293 VanDerWaalsContact OD2-CZ 3.31Å; D101-R293 IonicContact OD2-NE 3.32Å; D101-R293 PolarHBondContact OD2-NE 3.25Å; D101-R293 IonicContact OD2-NH2 3.53Å; D101-R293 PolarHBondContact OD2-NH2 2.83Å
102	R	94.9	Very high	94.4	Very high	24 Å²	24	50.2 Å²	50.2	9%	0.091	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-90.1	149.7	173.9	-65.7	174.8	-168.6	162.7	16.5	112.3	C95 I97 P98 D99 D104 S107 S109 K215	C95-R102 VanDerWaalsContact SG-CZ 3.6Å; C95-R102 PolarHBondContact SG-NE 3.01Å; I97-R102 HydrophobicContact CB-CG 4.06Å; I97-R102 HydrophobicContact CG2-CG 3.71Å; I97-R102 VanDerWaalsContact O-CZ 3.24Å; I97-R102 PolarHBondContact O-NE 2.76Å; I97-R102 PolarHBondContact O-NH2 2.66Å; P98-R102 WeakPolarHBondContact O-CG 3.12Å; P98-R102 PolarHBondContact O-N 3.02Å; D99-R102 PolarHBondContact O-N 3.18Å; D99-R102 IonicContact OD1-CZ 2.73Å; D99-R102 IonicContact OD1-NE 3.59Å; D99-R102 IonicContact OD1-NH1 2.88Å; D99-R102 PolarHBondContact OD1-NH1 2.86Å; D99-R102 IonicContact OD1-NH2 3.93Å; D99-R102 PolarHBondContact OD1-NH2 3.33Å; R102-D104 VanDerWaalsContact C-N 3.3Å; R102-D104 WeakPolarHBondContact CB-O 2.9Å; R102-S107 WeakPolarHBondContact CD-O 3.49Å; R102-S109 VanDerWaalsContact CA-O 3.28Å; R102-S109 WeakPolarHBondContact CA-O 3.36Å; R102-K215 PolarHBondContact O-NZ 3.41Å
103	E	90.9	Very high	94.2	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-60.3	-41.5	169.3	-69.6	-169.8	-173.4	0	0	111.6	S109 L110 L150 K249	E103-S109 PolarHBondContact N-O 3.11Å; E103-L110 WeakPolarHBondContact CG-O 3.28Å; E103-L150 HydrophobicContact CB-CD2 4.43Å; E103-K249 IonicContact OE2-NZ 2.62Å; E103-K249 PolarHBondContact OE2-NZ 3.32Å
104	D	88.2	Confident	93.8	Very high	18 Å²	18	44.8 Å²	44.8	10%	0.096	25%	0.253	C	S	.	.	S	Bend	trans	-146.1	154.1	176.8	75.7	91.7	0	0	0	110.2	R102 Y106 S107 R328	R102-D104 VanDerWaalsContact C-N 3.3Å; R102-D104 WeakPolarHBondContact CB-O 2.9Å; D104-Y106 PolarHBondContact O-N 3.49Å; D104-Y106 VanDerWaalsContact OD1-CA 3.31Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.47Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.46Å; D104-Y106 PolarHBondContact OD1-N 3Å; D104-S107 PolarHBondContact OD1-N 3.48Å; D104-S107 WeakPolarHBondContact OD2-CB 3.43Å; D104-S107 PolarHBondContact OD2-OG 3.32Å; D104-R328 IonicContact OD1-NE 2.74Å
105	P	90.8	Very high	93.3	Very high	83 Å²	83	49 Å²	49	54%	0.539	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.1	-175.5	29	-35.7	0	0	0	113.6
106	Y	91.1	Very high	92.4	Very high	72 Å²	72	49.7 Å²	49.7	28%	0.282	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-23	-173.4	-50	-64	0	0	0	112.5	D104 T326 Y327 R328 K394	D104-Y106 PolarHBondContact O-N 3.49Å; D104-Y106 VanDerWaalsContact OD1-CA 3.31Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.47Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.46Å; D104-Y106 PolarHBondContact OD1-N 3Å; Y106-T326 WeakPolarHBondContact O-CB 3.49Å; Y106-Y327 HydrophobicContact CD1-CD1 4.13Å; Y106-Y327 HydrophobicContact CD1-CG 4.2Å; Y106-Y327 HydrophobicContact CG-CD1 4.31Å; Y106-Y327 PolarHBondContact O-N 3.04Å; Y106-R328 VanDerWaalsContact O-CG 3.31Å; Y106-R328 WeakPolarHBondContact O-CG 3.24Å; Y106-R328 PolarHBondContact O-N 2.59Å; Y106-K394 HydrophobicContact CD1-CB 4.39Å; Y106-K394 HydrophobicContact CD1-CD 4.48Å; Y106-K394 HydrophobicContact CD1-CG 3.91Å; Y106-K394 HydrophobicContact CD2-CB 4.36Å; Y106-K394 HydrophobicContact CE1-CB 3.85Å; Y106-K394 HydrophobicContact CE1-CD 3.91Å; Y106-K394 HydrophobicContact CE1-CG 3.61Å; Y106-K394 VanDerWaalsContact CE2-CA 3.42Å; Y106-K394 HydrophobicContact CE2-CB 3.79Å; Y106-K394 HydrophobicContact CE2-CG 4.37Å; Y106-K394 HydrophobicContact CG-CG 4.42Å
107	S	91.1	Very high	91.2	Very high	11 Å²	11	51.3 Å²	51.3	8%	0.077	28%	0.282	C	S	.	.	S	Bend	trans	-101.7	-176.4	-178.1	77.3	0	0	0	0	112.9	R102 D104 S109	R102-S107 WeakPolarHBondContact CD-O 3.49Å; D104-S107 PolarHBondContact OD1-N 3.48Å; D104-S107 WeakPolarHBondContact OD2-CB 3.43Å; D104-S107 PolarHBondContact OD2-OG 3.32Å; S107-S109 PolarHBondContact OG-N 2.73Å
108	C	95.2	Very high	89.1	Confident	35 Å²	35	55.9 Å²	55.9	24%	0.236	32%	0.316	C	S	.	.			trans	-121.9	40.1	169.9	-164	0	0	0	0	110.8	C95 P96 I97 V324 T326	C95-C108 WeakPolarHBondContact CA-SG 3.49Å; C95-C108 HydrophobicContact CB-CB 3.87Å; C95-C108 WeakPolarHBondContact CB-SG 3.48Å; C95-C108 WeakPolarHBondContact SG-CA 3.14Å; C95-C108 WeakPolarHBondContact SG-CB 3.16Å; C95-C108 CovalentContact SG-SG 2.03Å; C95-C108 PolarHBondContact SG-SG 2.87Å; P96-C108 VanDerWaalsContact CD-SG 3.57Å; I97-C108 VanDerWaalsContact CD1-O 3.29Å; I97-C108 WeakPolarHBondContact CD1-O 3.33Å; C108-V324 HydrophobicContact CB-CG1 4.22Å; C108-T326 HydrophobicContact CB-CG2 3.84Å
109	S	93.6	Very high	87.2	Confident	53 Å²	53	59.5 Å²	59.5	37%	0.371	35%	0.354	S	S	.	.			trans	-96.1	131.4	179.8	-60.8	0	0	0	0	110.4	R102 E103 S107	R102-S109 VanDerWaalsContact CA-O 3.28Å; R102-S109 WeakPolarHBondContact CA-O 3.36Å; E103-S109 PolarHBondContact N-O 3.11Å; S107-S109 PolarHBondContact OG-N 2.73Å
110	L	95.4	Very high	85.2	Confident	70 Å²	70	59.6 Å²	59.6	37%	0.366	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-69.3	133.7	179.4	-173	67.3	0	0	0	110.3	I97 D101 E103 N112	I97-L110 HydrophobicContact CD1-CB 3.76Å; I97-L110 HydrophobicContact CD1-CD1 4.23Å; I97-L110 VanDerWaalsContact CD1-N 3.34Å; I97-L110 HydrophobicContact CG2-CD1 3.87Å; D101-L110 HydrophobicContact CB-CD1 4.46Å; E103-L110 WeakPolarHBondContact CG-O 3.28Å; L110-N112 PolarHBondContact O-N 2.83Å
111	L	93.8	Very high	83.4	Confident	1 Å²	1	62 Å²	62	1%	0.005	37%	0.368	C	S	.	.			trans	-63.6	100.4	170.5	-179.2	64.9	0	0	0	110.1	D101 V113 L150 L286 R290	D101-L111 WeakPolarHBondContact O-CB 3.35Å; D101-L111 PolarHBondContact O-N 3.48Å; L111-V113 HydrophobicContact CD1-CG2 3.58Å; L111-V113 HydrophobicContact CD2-CG2 4.27Å; L111-V113 HydrophobicContact CG-CB 4.4Å; L111-V113 HydrophobicContact CG-CG2 3.65Å; L111-V113 PolarHBondContact O-N 2.89Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-L150 HydrophobicContact CD1-CB 3.75Å; L111-L150 HydrophobicContact CD1-CD1 4.24Å; L111-L150 HydrophobicContact CD1-CG 4.47Å; L111-L286 HydrophobicContact CD2-CD2 4.25Å; L111-R290 PolarHBondContact O-NH1 3.41Å; L111-R290 PolarHBondContact O-NH2 2.66Å
112	N	91.9	Very high	82.2	Confident	127 Å²	127	63.6 Å²	63.6	68%	0.679	38%	0.381	S	S	*	.			trans	-88.3	73.7	-178	-167.6	32.2	0	0	0	111.4	L110	L110-N112 PolarHBondContact O-N 2.83Å
113	V	92.8	Very high	81.9	Confident	10 Å²	10	66.3 Å²	66.3	6%	0.061	39%	0.394	C	S	.	.			trans	-115.1	137.8	178.8	179.6	0	0	0	0	109.5	L111 G245 G246 V247 L283	L111-V113 HydrophobicContact CD1-CG2 3.58Å; L111-V113 HydrophobicContact CD2-CG2 4.27Å; L111-V113 HydrophobicContact CG-CB 4.4Å; L111-V113 HydrophobicContact CG-CG2 3.65Å; L111-V113 PolarHBondContact O-N 2.89Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-G245 CarbonylContact C-O 3.48Å; V113-G245 WeakPolarHBondContact CA-O 3.32Å; V113-G246 WeakPolarHBondContact CG2-O 3.23Å; V113-V247 HydrophobicContact CG1-CG1 3.74Å; V113-L283 HydrophobicContact CG1-CD1 3.92Å; V113-L283 HydrophobicContact CG1-CD2 3.92Å; V113-L283 HydrophobicContact CG1-CG 4.41Å
114	S	91.1	Very high	81.8	Confident	75 Å²	75	65.8 Å²	65.8	52%	0.524	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-87.7	155.7	177.4	-59.4	0	0	0	0	111.4	G245 L287	S114-G245 PolarHBondContact N-O 3.3Å; S114-L287 WeakPolarHBondContact O-CD1 3.49Å
115	E	85.7	Confident	81.9	Confident	103 Å²	103	66.9 Å²	66.9	48%	0.481	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-62.4	134.5	172.1	-75.2	-164.2	157.4	0	0	110	V117 L287 R288	E115-V117 PolarHBondContact O-N 3.5Å; E115-L287 HydrophobicContact CB-CD1 4.35Å; E115-L287 HydrophobicContact CG-CB 4.34Å; E115-L287 HydrophobicContact CG-CD1 3.81Å; E115-R288 WeakPolarHBondContact OE1-CG 3.32Å; E115-R288 IonicContact OE1-NE 3.46Å; E115-R288 PolarHBondContact OE1-NE 2.88Å
116	P	80.2	Confident	81.8	Confident	19 Å²	19	63 Å²	63	12%	0.123	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-59.6	137.6	172	2.5	2.7	0	0	0	109.6	S118 I277 E280 L283	P116-S118 PolarHBondContact O-N 3.14Å; P116-S118 VanDerWaalsContact O-N 3.14Å; P116-I277 HydrophobicContact CB-CD1 4.45Å; P116-E280 HydrophobicContact CB-CG 4.42Å; P116-E280 HydrophobicContact CG-CB 4.15Å; P116-E280 HydrophobicContact CG-CG 4.41Å; P116-L283 HydrophobicContact CG-CD2 4.09Å; P116-L283 HydrophobicContact CG-CG 4.48Å
117	V	71.1	Confident	81.7	Confident	109 Å²	109	59.6 Å²	59.6	66%	0.661	36%	0.358	S	S	*	.			trans	-72.9	108.6	176.2	-177.6	0	0	0	0	108	E115 G119 Q120	E115-V117 PolarHBondContact O-N 3.5Å; V117-G119 PolarHBondContact O-N 2.83Å; V117-Q120 PolarHBondContact O-N 3.32Å
118	S	55.2	Low	81.3	Confident	113 Å²	113	62.1 Å²	62.1	79%	0.79	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	132.9	-176.5	-72.6	0	0	0	0	113.2	P116	P116-S118 PolarHBondContact O-N 3.14Å; P116-S118 VanDerWaalsContact O-N 3.14Å
119	G	56.8	Low	80.7	Confident	81 Å²	81	60.7 Å²	60.7	84%	0.835	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	8.1	175.6	0	0	0	0	0	114.8	V117	V117-G119 PolarHBondContact O-N 2.83Å
120	Q	51.2	Low	79.8	Confident	102 Å²	102	62.9 Å²	62.9	48%	0.477	39%	0.385	S	S	.	.			trans	-108.9	86.9	170.3	-79.8	-166	-11	0	0	110.1	V117 A122	V117-Q120 PolarHBondContact O-N 3.32Å; Q120-A122 HydrophobicContact CB-CB 3.49Å; Q120-A122 VanDerWaalsContact CB-CB 3.49Å; Q120-A122 HydrophobicContact CG-CB 3.65Å; Q120-A122 PolarHBondContact O-N 3.23Å
121	D	55	Low	79.2	Confident	158 Å²	158	63 Å²	63	85%	0.845	39%	0.386	S	S	*	.			trans	-62.9	34.2	140	-70.7	-42.1	0	0	0	109.6	E123	D121-E123 PolarHBondContact O-N 3.19Å; D121-E123 VanDerWaalsContact O-N 3.14Å
122	A	71.4	Confident	78.4	Confident	33 Å²	33	65.1 Å²	65.1	27%	0.273	40%	0.399	S	S	.	.			trans	-80.6	107.6	-173.5	0	0	0	0	0	105.8	Q120 M124	Q120-A122 HydrophobicContact CB-CB 3.49Å; Q120-A122 VanDerWaalsContact CB-CB 3.49Å; Q120-A122 HydrophobicContact CG-CB 3.65Å; Q120-A122 PolarHBondContact O-N 3.23Å; A122-M124 VanDerWaalsContact O-CG 3.27Å; A122-M124 WeakPolarHBondContact O-CG 3.48Å; A122-M124 PolarHBondContact O-N 3.08Å
123	E	86.6	Confident	78	Confident	81 Å²	81	63.1 Å²	63.1	38%	0.379	40%	0.395	S	S	.	.			trans	-42.7	114	157.9	-177.9	167.4	-119.6	0	0	109.4	D121 T156 R157 T274	D121-E123 PolarHBondContact O-N 3.19Å; D121-E123 VanDerWaalsContact O-N 3.14Å; E123-T156 WeakPolarHBondContact OE1-CB 3.33Å; E123-T156 PolarHBondContact OE1-OG1 2.77Å; E123-R157 WeakPolarHBondContact OE1-CD 3.49Å; E123-R157 VanDerWaalsContact OE1-CG 3.27Å; E123-R157 WeakPolarHBondContact OE1-CG 3.44Å; E123-R157 WeakPolarHBondContact OE2-CD 3.44Å; E123-R157 IonicContact OE2-NH1 2.83Å; E123-T274 VanDerWaalsContact CG-CB 3.48Å; E123-T274 HydrophobicContact CG-CG2 3.96Å; E123-T274 PolarHBondContact OE1-OG1 2.68Å
124	M	90.1	Very high	77.5	Confident	28 Å²	28	65.5 Å²	65.5	14%	0.138	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.8	-177.2	-58.1	-177.4	-165.1	0	0	109.3	A122 T274 F275 I277	A122-M124 VanDerWaalsContact O-CG 3.27Å; A122-M124 WeakPolarHBondContact O-CG 3.48Å; A122-M124 PolarHBondContact O-N 3.08Å; M124-T274 CarbonylContact O-C 3.6Å; M124-T274 WeakPolarHBondContact O-CA 3.44Å; M124-T274 WeakPolarHBondContact O-CB 3.45Å; M124-F275 HydrophobicContact CB-CD1 4.32Å; M124-F275 HydrophobicContact CB-CE1 3.97Å; M124-F275 HydrophobicContact CB-CE2 4.27Å; M124-F275 HydrophobicContact CB-CZ 3.95Å; M124-F275 PolarHBondContact N-O 3.14Å; M124-F275 PolarHBondContact O-N 3.38Å; M124-F275 HydrophobicContact SD-CE2 3.9Å; M124-F275 HydrophobicContact SD-CZ 4.07Å; M124-I277 HydrophobicContact CE-CD1 3.63Å; M124-I277 HydrophobicContact CE-CG1 3.82Å; M124-I277 HydrophobicContact SD-CD1 4.49Å
125	E	90.4	Very high	77.2	Confident	40 Å²	40	63.2 Å²	63.2	19%	0.187	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.8	172.6	-67.2	167.3	-169.9	0	0	109.5	V127 V200 N201 N242 T274	E125-V127 PolarHBondContact O-N 2.77Å; E125-V200 WeakPolarHBondContact OE1-CG1 3.3Å; E125-N201 PolarHBondContact OE2-ND2 3.36Å; E125-N242 WeakPolarHBondContact O-CB 3.34Å; E125-T274 HydrophobicContact CB-CG2 4.47Å; E125-T274 HydrophobicContact CG-CG2 3.8Å
126	I	89	Confident	77.1	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	39%	0.392	C	S	.	.	S	Bend	trans	-62	-29	178.7	-170.2	168	0	0	0	112.8	L145 L241 N242 I250 F273	I126-L145 HydrophobicContact CD1-CD2 3.97Å; I126-L241 HydrophobicContact CG1-CD2 4.4Å; I126-L241 CarbonylContact O-C 3.48Å; I126-L241 VanDerWaalsContact O-CA 3.3Å; I126-L241 WeakPolarHBondContact O-CA 3.47Å; I126-L241 WeakPolarHBondContact O-CD2 3.33Å; I126-N242 PolarHBondContact O-N 2.86Å; I126-I250 HydrophobicContact CD1-CD1 3.7Å; I126-I250 HydrophobicContact CD1-CG1 4.23Å; I126-I250 HydrophobicContact CG1-CD1 3.88Å; I126-F273 HydrophobicContact CB-CD1 4.36Å; I126-F273 HydrophobicContact CB-CE1 4.32Å; I126-F273 HydrophobicContact CB-CZ 4.47Å; I126-F273 HydrophobicContact CD1-CD1 3.96Å; I126-F273 HydrophobicContact CD1-CE1 3.2Å; I126-F273 HydrophobicContact CD1-CE2 4.35Å; I126-F273 HydrophobicContact CD1-CZ 3.46Å; I126-F273 VanDerWaalsContact CD1-CZ 3.46Å; I126-F273 HydrophobicContact CG1-CE1 4.32Å; I126-F273 HydrophobicContact CG1-CZ 4.46Å; I126-F273 HydrophobicContact CG2-CD1 3.9Å; I126-F273 HydrophobicContact CG2-CE1 4.26Å; I126-F273 HydrophobicContact CG2-CG 4.26Å; I126-F273 VanDerWaalsContact CG2-N 3.28Å; I126-F273 VanDerWaalsContact CG2-O 3.31Å; I126-F273 WeakPolarHBondContact CG2-O 3.32Å; I126-F273 PolarHBondContact N-O 3.33Å; I126-F273 VanDerWaalsContact N-O 3.08Å
127	V	87.8	Confident	77.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-136.7	132.4	-177.8	64.6	0	0	0	0	108.8	E125 F161 V239 L241 L269	E125-V127 PolarHBondContact O-N 2.77Å; V127-F161 HydrophobicContact CG1-CE1 4.03Å; V127-F161 HydrophobicContact CG1-CZ 4.04Å; V127-F161 HydrophobicContact CG2-CZ 4.27Å; V127-V239 HydrophobicContact CG2-CB 4.01Å; V127-V239 HydrophobicContact CG2-CG1 4.37Å; V127-V239 HydrophobicContact CG2-CG2 3.91Å; V127-L241 HydrophobicContact CB-CD2 4.13Å; V127-L241 HydrophobicContact CG2-CD2 4.32Å; V127-L269 HydrophobicContact CB-CD1 4.5Å; V127-L269 HydrophobicContact CG2-CD1 4.05Å
128	T	83.8	Confident	77.4	Confident	65 Å²	65	59.3 Å²	59.3	40%	0.399	38%	0.378	S	S	.	.			trans	-114.3	121.8	171.9	-56.3	0	0	0	0	108.8
129	V	81.9	Confident	78.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.024	38%	0.376	C	S	.	.			trans	-96.4	98.7	176.5	-175.9	0	0	0	0	108.8	L135 F161	V129-L135 HydrophobicContact CG1-CD1 4.31Å; V129-L135 HydrophobicContact CG1-CD2 4.22Å; V129-L135 HydrophobicContact CG1-CG 4.13Å; V129-L135 HydrophobicContact CG2-CD2 4.42Å; V129-F161 HydrophobicContact CG2-CD1 4.01Å; V129-F161 HydrophobicContact CG2-CE1 3.45Å; V129-F161 VanDerWaalsContact CG2-CE1 3.45Å; V129-F161 HydrophobicContact CG2-CZ 4.07Å
130	A	75.1	Confident	79.1	Confident	99 Å²	99	57.9 Å²	57.9	82%	0.818	34%	0.343	S	S	*	.	S	Bend	trans	-74	-34.6	-178.3	0	0	0	0	0	113.1
131	D	81.6	Confident	80.3	Confident	73 Å²	73	56.3 Å²	56.3	39%	0.39	34%	0.344	S	S	.	.			trans	-124.2	115.2	179.1	-177.2	0.9	0	0	0	110.6	S133 L134	D131-S133 PolarHBondContact O-N 2.83Å; D131-S133 VanDerWaalsContact O-N 3.15Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.77Å; D131-S133 PolarHBondContact OD1-OG 2.78Å; D131-S133 VanDerWaalsContact OD1-OG 3.11Å; D131-S133 PolarHBondContact OD2-OG 2.75Å; D131-L134 HydrophobicContact CB-CD1 4.3Å; D131-L134 HydrophobicContact CB-CG 4.25Å; D131-L134 WeakPolarHBondContact O-CB 3.15Å; D131-L134 PolarHBondContact O-N 2.74Å
132	P	78.6	Confident	81.6	Confident	45 Å²	45	49.7 Å²	49.7	29%	0.292	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.1	-15.5	177.9	28.3	-36.3	0	0	0	113.4	L134 L135 W202	P132-L134 PolarHBondContact O-N 2.87Å; P132-L135 WeakPolarHBondContact O-CB 3.5Å; P132-L135 PolarHBondContact O-N 3.14Å; P132-L135 VanDerWaalsContact O-N 3.16Å; P132-W202 HydrophobicContact CB-CD2 3.83Å; P132-W202 HydrophobicContact CB-CE3 4.17Å; P132-W202 HydrophobicContact CB-CG 4.23Å; P132-W202 HydrophobicContact CB-CH2 4.36Å; P132-W202 HydrophobicContact CB-CZ2 4.05Å; P132-W202 HydrophobicContact CB-CZ3 4.42Å; P132-W202 HydrophobicContact CG-CD2 4.39Å; P132-W202 HydrophobicContact CG-CH2 4.32Å; P132-W202 HydrophobicContact CG-CZ2 3.76Å
133	S	82.9	Confident	82.1	Confident	85 Å²	85	48.5 Å²	48.5	59%	0.594	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.5	176	83.5	0	0	0	0	113.4	D131 L135	D131-S133 PolarHBondContact O-N 2.83Å; D131-S133 VanDerWaalsContact O-N 3.15Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.77Å; D131-S133 PolarHBondContact OD1-OG 2.78Å; D131-S133 VanDerWaalsContact OD1-OG 3.11Å; D131-S133 PolarHBondContact OD2-OG 2.75Å; S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 3.29Å
134	L	82.6	Confident	81.8	Confident	61 Å²	61	45.9 Å²	45.9	32%	0.319	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-76.3	-14.1	177	-58.5	175.7	0	0	0	113	D131 P132 V234	D131-L134 HydrophobicContact CB-CD1 4.3Å; D131-L134 HydrophobicContact CB-CG 4.25Å; D131-L134 WeakPolarHBondContact O-CB 3.15Å; D131-L134 PolarHBondContact O-N 2.74Å; P132-L134 PolarHBondContact O-N 2.87Å; L134-V234 HydrophobicContact CB-CG2 3.74Å
135	L	84.4	Confident	81.5	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.141	29%	0.286	C	S	.	.			trans	-81.7	117.2	-179.6	-63.4	176.2	0	0	0	110.5	V129 P132 S133 F161 W202 T232 T233 V234	V129-L135 HydrophobicContact CG1-CD1 4.31Å; V129-L135 HydrophobicContact CG1-CD2 4.22Å; V129-L135 HydrophobicContact CG1-CG 4.13Å; V129-L135 HydrophobicContact CG2-CD2 4.42Å; P132-L135 WeakPolarHBondContact O-CB 3.5Å; P132-L135 PolarHBondContact O-N 3.14Å; P132-L135 VanDerWaalsContact O-N 3.16Å; S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 3.29Å; L135-F161 HydrophobicContact CD2-CB 3.93Å; L135-F161 HydrophobicContact CD2-CD1 3.98Å; L135-F161 HydrophobicContact CD2-CD2 3.86Å; L135-F161 HydrophobicContact CD2-CE2 4.39Å; L135-F161 HydrophobicContact CD2-CG 3.66Å; L135-W202 HydrophobicContact CD1-CB 4.18Å; L135-T232 HydrophobicContact CB-CG2 3.75Å; L135-T232 HydrophobicContact CD2-CG2 4.37Å; L135-T232 HydrophobicContact CG-CG2 4.5Å; L135-T233 CarbonylContact C-O 3.54Å; L135-T233 WeakPolarHBondContact CA-O 3.24Å; L135-V234 HydrophobicContact CD2-CB 4.07Å
136	V	83.9	Confident	81.1	Confident	90 Å²	90	45.8 Å²	45.8	55%	0.545	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.5	-175.9	-171.8	0	0	0	0	110	T232 T233	V136-T232 CarbonylContact O-C 3.14Å; V136-T233 PolarHBondContact N-O 3.04Å; V136-T233 PolarHBondContact O-N 2.89Å; V136-T233 PolarHBondContact O-OG1 2.96Å
137	A	81.2	Confident	80.9	Confident	54 Å²	54	46 Å²	46	45%	0.446	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.5	171.5	0	0	0	0	0	110.4	L230 L231	A137-L230 HydrophobicContact CB-CB 4.03Å; A137-L230 HydrophobicContact CB-CD1 3.94Å; A137-L231 CarbonylContact C-O 3.49Å; A137-L231 WeakPolarHBondContact CA-O 3.49Å
138	A	76.3	Confident	80.9	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.7	178.5	0	0	0	0	0	112	V140 I143 L230 L231 T233	A138-V140 HydrophobicContact CB-CG2 4.12Å; A138-V140 PolarHBondContact O-N 2.76Å; A138-V140 VanDerWaalsContact O-N 3.12Å; A138-I143 HydrophobicContact CB-CD1 4.42Å; A138-L230 WeakPolarHBondContact O-CB 3.29Å; A138-L230 WeakPolarHBondContact O-CD2 3.36Å; A138-L231 PolarHBondContact N-O 2.86Å; A138-T233 HydrophobicContact CB-CG2 3.37Å
139	D	73.5	Confident	81.4	Confident	141 Å²	141	44.1 Å²	44.1	75%	0.754	28%	0.28	S	S	*	.	S	Bend	trans	-79.9	16.8	-180	-62.2	-27.6	0	0	0	113.6
140	V	73.8	Confident	81.9	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	28%	0.281	C	S	.	.			trans	-120.7	144.3	-179	-61.4	0	0	0	0	110.6	A138 I143 A263 F266	A138-V140 HydrophobicContact CB-CG2 4.12Å; A138-V140 PolarHBondContact O-N 2.76Å; A138-V140 VanDerWaalsContact O-N 3.12Å; V140-I143 HydrophobicContact CG2-CD1 3.78Å; V140-I143 HydrophobicContact CG2-CG1 3.61Å; V140-A263 HydrophobicContact CB-CB 4.42Å; V140-A263 HydrophobicContact CG1-CB 4.04Å; V140-F266 HydrophobicContact CG1-CD2 4Å; V140-F266 HydrophobicContact CG1-CE2 4.3Å
141	S	76.6	Confident	82.9	Confident	70 Å²	70	40.4 Å²	40.4	49%	0.49	25%	0.246	S	C	.	.	S	Bend	trans	-87.8	-10.8	178.3	55.8	0	0	0	0	113.6	E224 S225	S141-E224 WeakPolarHBondContact O-CA 3.41Å; S141-S225 PolarHBondContact O-N 2.85Å
142	A	81.6	Confident	83.5	Confident	19 Å²	19	38.3 Å²	38.3	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.4	178.4	0	0	0	0	0	111.9	W223 E224	A142-W223 CarbonylContact C-O 3.54Å; A142-W223 WeakPolarHBondContact CA-O 3.29Å; A142-E224 HydrophobicContact CB-CG 4.23Å
143	I	81.7	Confident	84.3	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.7	174.9	-71.6	172.5	0	0	0	108.1	A138 V140 V222 W223 L231 T233 G268 A270	A138-I143 HydrophobicContact CB-CD1 4.42Å; V140-I143 HydrophobicContact CG2-CD1 3.78Å; V140-I143 HydrophobicContact CG2-CG1 3.61Å; I143-V222 CarbonylContact O-C 3.59Å; I143-V222 WeakPolarHBondContact O-CA 3.12Å; I143-W223 HydrophobicContact CB-CE3 4.48Å; I143-W223 HydrophobicContact CG2-CE3 4.11Å; I143-W223 HydrophobicContact CG2-CZ3 4.45Å; I143-W223 PolarHBondContact N-O 2.97Å; I143-W223 PolarHBondContact O-N 2.98Å; I143-L231 HydrophobicContact CB-CD1 4.33Å; I143-L231 HydrophobicContact CD1-CD1 4.13Å; I143-L231 HydrophobicContact CG1-CD1 4.09Å; I143-T233 HydrophobicContact CD1-CG2 3.14Å; I143-G268 WeakPolarHBondContact CG2-O 3.25Å; I143-A270 HydrophobicContact CB-CB 4.2Å; I143-A270 HydrophobicContact CD1-CB 4.09Å; I143-A270 HydrophobicContact CG2-CB 4.38Å
144	A	81.7	Confident	84.9	Confident	26 Å²	26	32.8 Å²	32.8	22%	0.215	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.8	178.5	0	0	0	0	0	112.6	T220 L221 V222 L264	A144-T220 HydrophobicContact CB-CG2 3.74Å; A144-L221 CarbonylContact C-O 3.5Å; A144-L221 WeakPolarHBondContact CA-O 3.43Å; A144-V222 HydrophobicContact CB-CG2 4.23Å; A144-L264 HydrophobicContact CB-CD2 3.68Å
145	L	82.4	Confident	85.5	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.5	174.3	178.2	66.6	0	0	0	109.5	I126 T220 L221 W223 I250 I253 L269	I126-L145 HydrophobicContact CD1-CD2 3.97Å; L145-T220 WeakPolarHBondContact O-CA 3.18Å; L145-L221 HydrophobicContact CB-CB 4.42Å; L145-L221 PolarHBondContact N-O 3.19Å; L145-L221 PolarHBondContact O-N 3.36Å; L145-W223 HydrophobicContact CB-CH2 3.99Å; L145-W223 HydrophobicContact CB-CZ3 3.78Å; L145-W223 HydrophobicContact CD2-CH2 4.35Å; L145-I250 HydrophobicContact CD1-CG2 3.59Å; L145-I250 HydrophobicContact CG-CG2 4.34Å; L145-I253 HydrophobicContact CD1-CD1 3.93Å; L145-I253 HydrophobicContact CD1-CG1 4.27Å; L145-L269 HydrophobicContact CB-CD2 4.35Å; L145-L269 HydrophobicContact CD1-CD2 3.81Å; L145-L269 HydrophobicContact CD2-CD2 3.9Å; L145-L269 HydrophobicContact CG-CD2 4.25Å
146	D	82.1	Confident	85.9	Confident	63 Å²	63	29.2 Å²	29.2	34%	0.337	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.7	173.8	-65.7	-29.9	0	0	0	110.7	T220 S251	D146-T220 WeakPolarHBondContact OD1-CB 3.23Å; D146-T220 VanDerWaalsContact OD1-CG2 3.22Å; D146-T220 WeakPolarHBondContact OD1-CG2 3.23Å; D146-T220 PolarHBondContact OD1-OG1 3.48Å; D146-S251 PolarHBondContact O-N 3.32Å; D146-S251 VanDerWaalsContact O-N 3.16Å
147	F	85.8	Confident	86.5	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.9	174.4	69.2	-83.9	0	0	0	111.4	V149 L177 L213 F217 G219 L248 K249 I250 F273	F147-V149 HydrophobicContact CD2-CG2 4.24Å; F147-V149 HydrophobicContact CE2-CG2 3.9Å; F147-L177 HydrophobicContact CE1-CD1 3.63Å; F147-L177 HydrophobicContact CZ-CD1 3.66Å; F147-L213 HydrophobicContact CE2-CD1 4.17Å; F147-L213 HydrophobicContact CZ-CD1 4.21Å; F147-F217 HydrophobicContact CE2-CD1 4.5Å; F147-F217 HydrophobicContact CZ-CE1 4.35Å; F147-G219 WeakPolarHBondContact CD1-O 3.43Å; F147-G219 PolarHBondContact N-O 3.22Å; F147-G219 PolarHBondContact O-N 2.93Å; F147-L248 HydrophobicContact CD2-CD2 4.06Å; F147-L248 HydrophobicContact CE2-CD2 4.37Å; F147-K249 CarbonylContact C-O 3.57Å; F147-K249 WeakPolarHBondContact CA-O 3.4Å; F147-I250 HydrophobicContact CB-CG1 4.44Å; F147-F273 HydrophobicContact CD1-CE1 4.36Å; F147-F273 HydrophobicContact CE1-CE1 4.23Å; F147-F273 HydrophobicContact CE1-CZ 4.35Å; F147-F273 HydrophobicContact CE2-CZ 4.4Å; F147-F273 HydrophobicContact CZ-CZ 4.28Å
148	K	88.3	Confident	87.2	Confident	25 Å²	25	24.7 Å²	24.7	11%	0.109	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.3	175.1	-179.5	171.2	-172.1	150.2	0	110	L150 F217 E218 L248 K249	K148-L150 HydrophobicContact CD-CD2 4.22Å; K148-L150 HydrophobicContact CG-CD2 4.16Å; K148-F217 WeakPolarHBondContact CA-O 3.28Å; K148-E218 HydrophobicContact CB-CG 4.08Å; K148-E218 HydrophobicContact CD-CG 4Å; K148-E218 WeakPolarHBondContact CD-OE1 3.35Å; K148-E218 WeakPolarHBondContact CE-OE1 3.31Å; K148-E218 HydrophobicContact CG-CG 3.8Å; K148-E218 IonicContact NZ-OE1 3.63Å; K148-E218 PolarHBondContact NZ-OE1 3.14Å; K148-L248 CarbonylContact O-C 3.53Å; K148-L248 WeakPolarHBondContact O-CA 3.38Å; K148-K249 HydrophobicContact CB-CB 4.32Å; K148-K249 PolarHBondContact N-O 2.86Å; K148-K249 PolarHBondContact O-N 3.15Å
149	V	92.6	Very high	88	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.4	176.3	-179.6	0	0	0	0	108.8	F147 H151 V153 L213 P214 G216 F217 L248	F147-V149 HydrophobicContact CD2-CG2 4.24Å; F147-V149 HydrophobicContact CE2-CG2 3.9Å; V149-H151 WeakPolarHBondContact CG1-O 3.29Å; V149-V153 HydrophobicContact CG1-CG2 4.13Å; V149-V153 HydrophobicContact CG2-CG2 4.12Å; V149-L213 HydrophobicContact CG2-CB 4.01Å; V149-L213 HydrophobicContact CG2-CD1 4.31Å; V149-P214 WeakPolarHBondContact CG1-O 3.29Å; V149-G216 PolarHBondContact O-N 3.27Å; V149-F217 HydrophobicContact CB-CB 4.07Å; V149-F217 HydrophobicContact CG2-CB 3.99Å; V149-F217 HydrophobicContact CG2-CD1 3.93Å; V149-F217 HydrophobicContact CG2-CG 4.42Å; V149-F217 PolarHBondContact N-O 3.49Å; V149-L248 HydrophobicContact CB-CD2 4.45Å; V149-L248 HydrophobicContact CG2-CD2 3.9Å
150	L	93.6	Very high	88.9	Confident	9 Å²	9	17.9 Å²	17.9	5%	0.047	11%	0.105	C	C	.	.	S	Bend	trans	-97.3	-19.2	179.6	-63	-172.6	0	0	0	113	E103 L111 K148 K215 G246 V247 K249	E103-L150 HydrophobicContact CB-CD2 4.43Å; L111-L150 HydrophobicContact CD1-CB 3.75Å; L111-L150 HydrophobicContact CD1-CD1 4.24Å; L111-L150 HydrophobicContact CD1-CG 4.47Å; K148-L150 HydrophobicContact CD-CD2 4.22Å; K148-L150 HydrophobicContact CG-CD2 4.16Å; L150-K215 WeakPolarHBondContact O-CD 3.49Å; L150-K215 WeakPolarHBondContact O-CE 3.19Å; L150-K215 WeakPolarHBondContact O-CG 3.31Å; L150-G246 WeakPolarHBondContact CD1-O 2.66Å; L150-V247 WeakPolarHBondContact CA-O 3.11Å; L150-V247 PolarHBondContact N-O 2.89Å; L150-K249 HydrophobicContact CD1-CB 3.88Å; L150-K249 HydrophobicContact CD2-CB 4.48Å; L150-K249 HydrophobicContact CG-CB 4.07Å
151	H	94.6	Very high	89.6	Confident	17 Å²	17	17 Å²	17	8%	0.079	10%	0.099	C	C	.	.	S	Bend	trans	-143.8	144.8	166.7	-179.3	79.7	0	0	0	108.9	V149 V153 V247 Y278 L283	V149-H151 WeakPolarHBondContact CG1-O 3.29Å; H151-V153 PolarHBondContact O-N 3.08Å; H151-V247 HydrophobicContact CB-CB 4.11Å; H151-V247 HydrophobicContact CB-CG1 3.93Å; H151-V247 PolarHBondContact N-O 2.82Å; H151-Y278 PolarHBondContact NE2-O 3.16Å; H151-L283 HydrophobicContact CB-CD1 4.42Å
152	P	95.3	Very high	90	Very high	29 Å²	29	13.8 Å²	13.8	19%	0.188	8%	0.077	C	C	.	.			trans	-51.8	134.9	-175.4	-29.4	37.3	0	0	0	114.5	I212 L213 Y278	P152-I212 HydrophobicContact CB-CG2 4.23Å; P152-L213 VanDerWaalsContact CA-O 3.22Å; P152-L213 WeakPolarHBondContact CA-O 3.26Å; P152-Y278 HydrophobicContact CB-CD1 4.05Å; P152-Y278 HydrophobicContact CB-CG 4.47Å; P152-Y278 WeakPolarHBondContact O-CB 3.41Å; P152-Y278 PolarHBondContact O-N 2.96Å
153	V	95.2	Very high	89.6	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.9	178.3	-62.9	0	0	0	0	111	V149 H151 L213 V247 L248 F275 T276	V149-V153 HydrophobicContact CG1-CG2 4.13Å; V149-V153 HydrophobicContact CG2-CG2 4.12Å; H151-V153 PolarHBondContact O-N 3.08Å; V153-L213 HydrophobicContact CG2-CB 4.09Å; V153-L213 HydrophobicContact CG2-CD1 4.29Å; V153-L213 PolarHBondContact N-O 3.3Å; V153-L213 VanDerWaalsContact N-O 3.12Å; V153-L213 PolarHBondContact O-N 2.91Å; V153-V247 HydrophobicContact CG1-CB 4.43Å; V153-V247 HydrophobicContact CG1-CG2 3.99Å; V153-L248 HydrophobicContact CG1-CD2 4.3Å; V153-L248 HydrophobicContact CG2-CD2 4.06Å; V153-F275 HydrophobicContact CB-CD2 4.13Å; V153-F275 HydrophobicContact CG1-CD2 3.9Å; V153-F275 HydrophobicContact CG1-CE2 4.28Å; V153-T276 CarbonylContact C-O 3.6Å; V153-T276 VanDerWaalsContact CA-O 3.28Å; V153-T276 WeakPolarHBondContact CA-O 3.45Å; V153-T276 WeakPolarHBondContact CB-O 3.46Å
154	V	95	Very high	88.7	Confident	14 Å²	14	16.4 Å²	16.4	9%	0.085	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	171	-179.1	0	0	0	0	109.2	Q210 I212 F275 T276 Y278	V154-Q210 HydrophobicContact CG1-CB 3.7Å; V154-Q210 HydrophobicContact CG1-CG 4.05Å; V154-I212 HydrophobicContact CG2-CG1 3.92Å; V154-F275 CarbonylContact O-C 3.58Å; V154-F275 WeakPolarHBondContact O-CA 3.47Å; V154-F275 WeakPolarHBondContact O-CB 3.32Å; V154-T276 PolarHBondContact N-O 2.75Å; V154-T276 PolarHBondContact O-N 3.43Å; V154-Y278 HydrophobicContact CG2-CD2 4.13Å
155	I	94.9	Very high	87.7	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.1	171.8	-53.7	-65.8	0	0	0	108.3	L158 L177 V208 L213 F273 F275	I155-L158 HydrophobicContact CG2-CD2 3.99Å; I155-L177 HydrophobicContact CG1-CD2 4.11Å; I155-V208 HydrophobicContact CG2-CG2 4.16Å; I155-L213 HydrophobicContact CD1-CD1 3.87Å; I155-L213 HydrophobicContact CG1-CD1 3.5Å; I155-L213 VanDerWaalsContact CG1-CD1 3.5Å; I155-L213 HydrophobicContact CG1-CG 4.14Å; I155-F273 HydrophobicContact CD1-CD2 3.37Å; I155-F273 HydrophobicContact CD1-CE2 3.28Å; I155-F273 HydrophobicContact CD1-CG 4.29Å; I155-F273 HydrophobicContact CD1-CZ 4.12Å; I155-F273 HydrophobicContact CG2-CB 4.43Å; I155-F273 HydrophobicContact CG2-CD2 4.42Å; I155-F275 HydrophobicContact CD1-CB 4.11Å
156	T	94.6	Very high	86.7	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-38.7	-175.4	52.2	0	0	0	0	111.9	E123 P207 V208 T274 T276	E123-T156 WeakPolarHBondContact OE1-CB 3.33Å; E123-T156 PolarHBondContact OE1-OG1 2.77Å; T156-P207 WeakPolarHBondContact O-CA 3.36Å; T156-V208 PolarHBondContact O-N 3.37Å; T156-T274 PolarHBondContact N-O 3.33Å; T156-T274 VanDerWaalsContact OG1-C 3.31Å; T156-T274 WeakPolarHBondContact OG1-CB 3.3Å; T156-T274 PolarHBondContact OG1-O 3.31Å; T156-T274 PolarHBondContact OG1-OG1 3.08Å; T156-T276 HydrophobicContact CG2-CG2 4.2Å
157	R	95.5	Very high	85.8	Confident	47 Å²	47	29.7 Å²	29.7	18%	0.177	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.9	-177.1	-38.2	168.4	74	160.6	4.6	111.2	E123 T198 Y205 K206 F273 T274	E123-R157 WeakPolarHBondContact OE1-CD 3.49Å; E123-R157 VanDerWaalsContact OE1-CG 3.27Å; E123-R157 WeakPolarHBondContact OE1-CG 3.44Å; E123-R157 WeakPolarHBondContact OE2-CD 3.44Å; E123-R157 IonicContact OE2-NH1 2.83Å; R157-T198 PolarHBondContact NH2-OG1 3.39Å; R157-Y205 HydrophobicContact CB-CD1 4.04Å; R157-Y205 HydrophobicContact CB-CG 4.46Å; R157-K206 CarbonylContact C-O 3.52Å; R157-K206 WeakPolarHBondContact CA-O 3.45Å; R157-K206 VanDerWaalsContact CB-O 3.28Å; R157-K206 WeakPolarHBondContact CB-O 3.44Å; R157-F273 CarbonylContact O-C 3.57Å; R157-F273 WeakPolarHBondContact O-CA 3.34Å; R157-F273 VanDerWaalsContact O-CB 3.31Å; R157-F273 WeakPolarHBondContact O-CB 3.22Å; R157-T274 WeakPolarHBondContact CB-OG1 3.39Å; R157-T274 WeakPolarHBondContact CD-OG1 3.24Å; R157-T274 WeakPolarHBondContact CG-OG1 3.44Å; R157-T274 PolarHBondContact N-OG1 3.37Å; R157-T274 PolarHBondContact O-N 3.47Å; R157-T274 PolarHBondContact O-OG1 2.78Å
158	L	95.7	Very high	85	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.9	167.8	-61	-176.3	0	0	0	109.3	I155 V175 V187 A189 F191 Y205 K206 V208 L221 F273	I155-L158 HydrophobicContact CG2-CD2 3.99Å; L158-V175 HydrophobicContact CB-CB 4.28Å; L158-V175 HydrophobicContact CB-CG1 4.19Å; L158-V175 HydrophobicContact CD1-CB 4.12Å; L158-V175 HydrophobicContact CD1-CG1 4.04Å; L158-V187 HydrophobicContact CD1-CG2 4.07Å; L158-A189 HydrophobicContact CB-CB 3.85Å; L158-A189 HydrophobicContact CD1-CB 4.01Å; L158-A189 HydrophobicContact CG-CB 4.41Å; L158-F191 WeakPolarHBondContact O-CZ 3.3Å; L158-Y205 WeakPolarHBondContact O-CA 3.49Å; L158-K206 PolarHBondContact N-O 3.12Å; L158-K206 PolarHBondContact O-N 3.19Å; L158-V208 HydrophobicContact CB-CG1 4.27Å; L158-V208 HydrophobicContact CD1-CG1 3.93Å; L158-V208 HydrophobicContact CG-CG1 3.74Å; L158-V208 HydrophobicContact CG-CG2 4.38Å; L158-L221 HydrophobicContact CD1-CD1 4.47Å; L158-L221 HydrophobicContact CD2-CD1 3.77Å; L158-F273 HydrophobicContact CD2-CB 3.79Å
159	G	93.6	Very high	84.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.6	-177.4	0	0	0	0	0	115.7	W204 W223 G271 G272	G159-W204 CarbonylContact C-O 3.6Å; G159-W204 WeakPolarHBondContact CA-O 3.37Å; G159-W223 PolarHBondContact O-NE1 2.9Å; G159-G271 WeakPolarHBondContact O-CA 3.46Å; G159-G272 WeakPolarHBondContact CA-O 3.17Å; G159-G272 PolarHBondContact N-O 3.36Å; G159-G272 PolarHBondContact O-N 2.79Å
160	V	91.9	Very high	83	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.8	-178.7	-61.8	0	0	0	0	109.6	L169 V173 V175 F191 V203 W204	V160-L169 HydrophobicContact CG2-CD1 3.67Å; V160-V173 HydrophobicContact CG1-CB 4.18Å; V160-V173 HydrophobicContact CG1-CG1 3.73Å; V160-V175 HydrophobicContact CG1-CG2 3.45Å; V160-V175 VanDerWaalsContact CG1-CG2 3.45Å; V160-F191 HydrophobicContact CB-CG 4.48Å; V160-F191 HydrophobicContact CG1-CD1 4.4Å; V160-F191 HydrophobicContact CG1-CD2 3.54Å; V160-F191 HydrophobicContact CG1-CE2 3.74Å; V160-F191 HydrophobicContact CG1-CG 3.91Å; V160-F191 HydrophobicContact CG1-CZ 4.26Å; V160-F191 HydrophobicContact CG2-CB 4.13Å; V160-F191 HydrophobicContact CG2-CD1 3.5Å; V160-F191 VanDerWaalsContact CG2-CD1 3.5Å; V160-F191 HydrophobicContact CG2-CD2 4.15Å; V160-F191 HydrophobicContact CG2-CE1 3.87Å; V160-F191 HydrophobicContact CG2-CE2 4.48Å; V160-F191 HydrophobicContact CG2-CG 3.66Å; V160-F191 HydrophobicContact CG2-CZ 4.35Å; V160-V203 WeakPolarHBondContact O-CA 3.35Å; V160-W204 HydrophobicContact CG2-CB 3.84Å; V160-W204 PolarHBondContact N-O 3.45Å; V160-W204 PolarHBondContact O-N 3.07Å
161	F	89.6	Confident	82.2	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	144	174.8	-67.3	-43.8	0	0	0	111.7	V127 V129 L135 V203 T232 V234 L269 A270 G271	V127-F161 HydrophobicContact CG1-CE1 4.03Å; V127-F161 HydrophobicContact CG1-CZ 4.04Å; V127-F161 HydrophobicContact CG2-CZ 4.27Å; V129-F161 HydrophobicContact CG2-CD1 4.01Å; V129-F161 HydrophobicContact CG2-CE1 3.45Å; V129-F161 VanDerWaalsContact CG2-CE1 3.45Å; V129-F161 HydrophobicContact CG2-CZ 4.07Å; L135-F161 HydrophobicContact CD2-CB 3.93Å; L135-F161 HydrophobicContact CD2-CD1 3.98Å; L135-F161 HydrophobicContact CD2-CD2 3.86Å; L135-F161 HydrophobicContact CD2-CE2 4.39Å; L135-F161 HydrophobicContact CD2-CG 3.66Å; F161-V203 HydrophobicContact CD1-CG2 3.79Å; F161-V203 HydrophobicContact CE1-CG2 3.74Å; F161-T232 HydrophobicContact CB-CG2 4.13Å; F161-V234 HydrophobicContact CE2-CB 4.13Å; F161-V234 HydrophobicContact CE2-CG1 3.52Å; F161-V234 HydrophobicContact CZ-CG1 3.65Å; F161-L269 HydrophobicContact CE2-CB 3.81Å; F161-L269 WeakPolarHBondContact CE2-O 3.03Å; F161-L269 HydrophobicContact CZ-CB 4.13Å; F161-A270 PolarHBondContact N-O 2.94Å; F161-G271 VanDerWaalsContact CD2-N 3.3Å; F161-G271 WeakPolarHBondContact CZ-O 3.48Å
162	S	83.4	Confident	81.9	Confident	2 Å²	2	42 Å²	42	1%	0.014	23%	0.233	C	C	.	.			trans	-72.6	153	169.9	-57.1	0	0	0	0	110.6	W202 W204 T232	S162-W202 VanDerWaalsContact CB-O 3.29Å; S162-W202 WeakPolarHBondContact CB-O 3.36Å; S162-W202 PolarHBondContact N-O 2.73Å; S162-W202 PolarHBondContact OG-O 3.29Å; S162-W204 PolarHBondContact OG-NE1 3.2Å; S162-W204 VanDerWaalsContact OG-NE1 3.1Å; S162-T232 VanDerWaalsContact O-CG2 3.3Å; S162-T232 WeakPolarHBondContact O-CG2 3.45Å
163	S	74.3	Confident	81.6	Confident	26 Å²	26	41.3 Å²	41.3	18%	0.182	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-112.2	140.1	177	-158.6	0	0	0	0	111.8	E168 T232	S163-E168 PolarHBondContact N-O 3.26Å; S163-T232 VanDerWaalsContact CB-OG1 3.29Å; S163-T232 WeakPolarHBondContact CB-OG1 3.29Å; S163-T232 PolarHBondContact OG-OG1 2.81Å; S163-T232 VanDerWaalsContact OG-OG1 3.09Å
164	G	63.2	Low	81.5	Confident	56 Å²	56	41.5 Å²	41.5	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-168.7	171.7	0	0	0	0	0	115.8	R166	G164-R166 VanDerWaalsContact C-N 3.28Å; G164-R166 PolarHBondContact O-N 2.8Å
165	T	59.6	Low	81.4	Confident	145 Å²	145	40.9 Å²	40.9	89%	0.89	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.4	-179	51.5	0	0	0	0	113.8
166	R	62.7	Low	81.2	Confident	173 Å²	173	43.7 Å²	43.7	65%	0.653	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.7	145	171.3	-66.6	-176.8	177.5	-165.4	-1.6	107.5	G164 E168	G164-R166 VanDerWaalsContact C-N 3.28Å; G164-R166 PolarHBondContact O-N 2.8Å; R166-E168 VanDerWaalsContact C-N 3.26Å; R166-E168 HydrophobicContact CB-CG 4.33Å; R166-E168 PolarHBondContact O-N 3.01Å
167	P	62.9	Low	81	Confident	53 Å²	53	43.4 Å²	43.4	34%	0.344	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	84.9	179.6	29.4	-33.4	0	0	0	110	V199 W204	P167-V199 HydrophobicContact CB-CG2 4.46Å; P167-W204 HydrophobicContact CB-CZ2 3.81Å; P167-W204 HydrophobicContact CG-CZ2 4.39Å; P167-W204 WeakPolarHBondContact O-CZ2 3.29Å
168	E	68.8	Low	80.7	Confident	96 Å²	96	43.2 Å²	43.2	45%	0.449	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-120.6	155.2	176	-67.9	-178.6	-162.8	0	0	109.4	S163 R166	S163-E168 PolarHBondContact N-O 3.26Å; R166-E168 VanDerWaalsContact C-N 3.26Å; R166-E168 HydrophobicContact CB-CG 4.33Å; R166-E168 PolarHBondContact O-N 3.01Å
169	L	70.4	Confident	80	Confident	20 Å²	20	47 Å²	47	11%	0.105	26%	0.255	C	S	.	.			trans	-114.1	114	-178.7	-166.4	87	0	0	0	108.5	V160 G171 F191 M196	V160-L169 HydrophobicContact CG2-CD1 3.67Å; L169-G171 WeakPolarHBondContact CD2-O 3.43Å; L169-G171 PolarHBondContact O-N 2.77Å; L169-F191 HydrophobicContact CD2-CB 3.66Å; L169-M196 HydrophobicContact CB-CE 3.61Å
170	H	67.4	Low	78.7	Confident	119 Å²	119	49.4 Å²	49.4	55%	0.551	27%	0.268	S	S	*	.			trans	-92.1	82.4	178.8	-65	-55	0	0	0	110.3	A229	H170-A229 WeakPolarHBondContact O-CB 3.04Å
171	G	77.8	Confident	77	Confident	25 Å²	25	57.4 Å²	57.4	26%	0.258	31%	0.311	S	S	.	.	S	Bend	trans	111.4	176.7	174.8	0	0	0	0	0	114.3	L169	L169-G171 WeakPolarHBondContact CD2-O 3.43Å; L169-G171 PolarHBondContact O-N 2.77Å
172	N	88.2	Confident	76	Confident	56 Å²	56	61.8 Å²	61.8	30%	0.299	33%	0.331	S	S	.	.			trans	-91.5	121.4	-179.3	-62.1	-39.8	0	0	0	111.2	F191 S192 Q226 D227	N172-F191 VanDerWaalsContact CA-O 3.3Å; N172-F191 WeakPolarHBondContact CA-O 3.47Å; N172-S192 WeakPolarHBondContact OD1-CB 3.43Å; N172-Q226 HydrophobicContact CB-CB 4.5Å; N172-Q226 PolarHBondContact O-N 3.02Å; N172-Q226 VanDerWaalsContact O-N 3.1Å; N172-D227 WeakPolarHBondContact CB-OD2 3.28Å; N172-D227 PolarHBondContact N-OD2 2.97Å; N172-D227 PolarHBondContact ND2-OD2 3.49Å
173	V	90.1	Very high	75.1	Confident	13 Å²	13	71.1 Å²	71.1	8%	0.079	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.9	178.5	-176.5	0	0	0	0	109.3	V160 V175 F191 E224 L231	V160-V173 HydrophobicContact CG1-CB 4.18Å; V160-V173 HydrophobicContact CG1-CG1 3.73Å; V173-V175 HydrophobicContact CG1-CG2 4.48Å; V173-F191 HydrophobicContact CB-CB 4.46Å; V173-F191 PolarHBondContact N-O 2.98Å; V173-F191 PolarHBondContact O-N 2.83Å; V173-E224 CarbonylContact C-O 3.39Å; V173-E224 WeakPolarHBondContact CA-O 3.31Å; V173-L231 HydrophobicContact CG1-CD2 3.94Å; V173-L231 HydrophobicContact CG2-CD2 3.95Å
174	T	91.7	Very high	75.4	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.031	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.8	171.7	-58.9	0	0	0	0	109.2	K176 T188 R190 W223 E224 Q226	T174-K176 HydrophobicContact CG2-CG 4Å; T174-T188 HydrophobicContact CG2-CG2 3.77Å; T174-R190 HydrophobicContact CG2-CG 4.03Å; T174-W223 CarbonylContact O-C 3.57Å; T174-W223 WeakPolarHBondContact O-CA 3.3Å; T174-E224 PolarHBondContact N-O 2.83Å; T174-E224 PolarHBondContact O-N 3Å; T174-Q226 PolarHBondContact OG1-NE2 3.37Å
175	V	92.7	Very high	76.4	Confident	0 Å²	0	76 Å²	76	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	174.2	-165	0	0	0	0	108.2	L158 V160 V173 T188 A189 F191 L221 V222 W223	L158-V175 HydrophobicContact CB-CB 4.28Å; L158-V175 HydrophobicContact CB-CG1 4.19Å; L158-V175 HydrophobicContact CD1-CB 4.12Å; L158-V175 HydrophobicContact CD1-CG1 4.04Å; V160-V175 HydrophobicContact CG1-CG2 3.45Å; V160-V175 VanDerWaalsContact CG1-CG2 3.45Å; V173-V175 HydrophobicContact CG1-CG2 4.48Å; V175-T188 CarbonylContact O-C 3.6Å; V175-T188 WeakPolarHBondContact O-CA 3.26Å; V175-A189 PolarHBondContact N-O 2.79Å; V175-A189 PolarHBondContact O-N 3.47Å; V175-F191 HydrophobicContact CB-CE2 4.5Å; V175-F191 HydrophobicContact CG2-CD2 4.02Å; V175-F191 HydrophobicContact CG2-CE2 3.71Å; V175-L221 HydrophobicContact CG1-CD1 3.65Å; V175-L221 HydrophobicContact CG1-CD2 4.37Å; V175-L221 HydrophobicContact CG1-CG 3.96Å; V175-V222 CarbonylContact C-O 3.51Å; V175-V222 VanDerWaalsContact CA-O 3.28Å; V175-V222 WeakPolarHBondContact CA-O 3.36Å; V175-W223 HydrophobicContact CG1-CG 4.32Å; V175-W223 HydrophobicContact CG2-CG 4.32Å
176	K	91.4	Very high	77.8	Confident	63 Å²	63	70.8 Å²	70.8	27%	0.274	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.8	-179.4	-61.7	174.3	-175.5	158.1	0	109.6	T174 L178 A185 V187 T188 L221 V222 E224	T174-K176 HydrophobicContact CG2-CG 4Å; K176-L178 HydrophobicContact CB-CD2 4.14Å; K176-L178 HydrophobicContact CB-CG 4.42Å; K176-A185 HydrophobicContact CB-CB 4.01Å; K176-A185 HydrophobicContact CG-CB 4.27Å; K176-V187 WeakPolarHBondContact CA-O 3.47Å; K176-T188 HydrophobicContact CG-CG2 4.26Å; K176-L221 CarbonylContact O-C 3.56Å; K176-L221 WeakPolarHBondContact O-CA 3.47Å; K176-V222 PolarHBondContact N-O 2.7Å; K176-V222 PolarHBondContact O-N 3.14Å; K176-E224 IonicContact NZ-OE2 2.78Å; K176-E224 PolarHBondContact NZ-OE2 2.88Å
177	L	91.4	Very high	79.2	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.2	162.5	178.1	61.2	0	0	0	108.2	F147 I155 A185 V186 V187 L213 L221	F147-L177 HydrophobicContact CE1-CD1 3.63Å; F147-L177 HydrophobicContact CZ-CD1 3.66Å; I155-L177 HydrophobicContact CG1-CD2 4.11Å; L177-A185 CarbonylContact O-C 3.49Å; L177-A185 WeakPolarHBondContact O-CA 3.36Å; L177-V186 HydrophobicContact CD2-CB 4.4Å; L177-V186 HydrophobicContact CG-CB 4.38Å; L177-V186 PolarHBondContact O-N 2.79Å; L177-V187 HydrophobicContact CB-CG2 3.45Å; L177-V187 VanDerWaalsContact CB-CG2 3.45Å; L177-V187 HydrophobicContact CD2-CG2 3.9Å; L177-V187 HydrophobicContact CG-CG2 4.3Å; L177-V187 PolarHBondContact N-O 2.84Å; L177-L213 HydrophobicContact CD2-CD1 4.05Å; L177-L213 HydrophobicContact CD2-CD2 4.33Å; L177-L221 HydrophobicContact CB-CD1 4.24Å
178	L	87.3	Confident	80.7	Confident	43 Å²	43	63.4 Å²	63.4	23%	0.225	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	176.8	-55.8	179.4	0	0	0	109.4	K176 A185 G219 T220 V222	K176-L178 HydrophobicContact CB-CD2 4.14Å; K176-L178 HydrophobicContact CB-CG 4.42Å; L178-A185 HydrophobicContact CD2-CB 3.75Å; L178-G219 VanDerWaalsContact O-CA 3.31Å; L178-G219 WeakPolarHBondContact O-CA 3.47Å; L178-T220 PolarHBondContact N-O 3.23Å; L178-T220 PolarHBondContact O-N 3.37Å; L178-V222 HydrophobicContact CD1-CG2 3.84Å; L178-V222 HydrophobicContact CG-CG2 4.37Å
179	Q	82.8	Confident	81.9	Confident	80 Å²	80	59.1 Å²	59.1	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.2	160.5	-175.8	172	-10.6	0	0	108.4	Q182 V186 F217	Q179-Q182 PolarHBondContact O-N 3.5Å; Q179-V186 HydrophobicContact CB-CG2 3.89Å; Q179-F217 HydrophobicContact CB-CE2 3.8Å; Q179-F217 HydrophobicContact CB-CZ 4Å; Q179-F217 HydrophobicContact CG-CD2 4.33Å; Q179-F217 HydrophobicContact CG-CE2 3.68Å; Q179-F217 HydrophobicContact CG-CZ 4.26Å
180	L	66.1	Low	83	Confident	51 Å²	51	66.3 Å²	66.3	27%	0.267	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.3	179.7	-73.2	160.8	0	0	0	114.1	Q182 E218 I392	L180-Q182 PolarHBondContact O-N 3.11Å; L180-Q182 VanDerWaalsContact O-N 3.09Å; L180-E218 HydrophobicContact CD1-CB 3.53Å; L180-I392 HydrophobicContact CB-CD1 4.46Å; L180-I392 HydrophobicContact CD1-CB 3.67Å; L180-I392 HydrophobicContact CD1-CD1 3.24Å; L180-I392 HydrophobicContact CD1-CG1 3.38Å; L180-I392 HydrophobicContact CD1-CG2 3.93Å; L180-I392 HydrophobicContact CD2-CD1 3.15Å; L180-I392 HydrophobicContact CD2-CG1 4.27Å; L180-I392 HydrophobicContact CG-CD1 3.69Å; L180-I392 HydrophobicContact CG-CG1 4.35Å
181	D	55.3	Low	84.1	Confident	170 Å²	170	60.8 Å²	60.8	91%	0.909	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	11.5	-178.7	-55.7	-35.2	0	0	0	115.1
182	Q	67.8	Low	84.7	Confident	98 Å²	98	60.7 Å²	60.7	46%	0.458	30%	0.302	S	S	.	.			trans	-106.5	129.5	172.9	-60.7	-165	-15.7	0	0	111	Q179 L180 E184	Q179-Q182 PolarHBondContact O-N 3.5Å; L180-Q182 PolarHBondContact O-N 3.11Å; L180-Q182 VanDerWaalsContact O-N 3.09Å; Q182-E184 VanDerWaalsContact C-N 3.27Å
183	E	65.6	Low	84.5	Confident	198 Å²	198	62.2 Å²	62.2	93%	0.925	32%	0.317	S	S	*	.	S	Bend	trans	-76.8	-20.9	168.8	-65.5	-173.3	166.1	0	0	111.6
184	E	81.2	Confident	84.2	Confident	158 Å²	158	69.2 Å²	69.2	74%	0.738	35%	0.352	S	S	*	.	S	Bend	trans	-87.4	132.5	179.6	-167.6	167.3	-166	0	0	110.9	Q182	Q182-E184 VanDerWaalsContact C-N 3.27Å
185	A	84.3	Confident	84	Confident	26 Å²	26	71.7 Å²	71.7	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.1	178.5	0	0	0	0	0	110.6	K176 L177 L178 V187 T188	K176-A185 HydrophobicContact CB-CB 4.01Å; K176-A185 HydrophobicContact CG-CB 4.27Å; L177-A185 CarbonylContact O-C 3.49Å; L177-A185 WeakPolarHBondContact O-CA 3.36Å; L178-A185 HydrophobicContact CD2-CB 3.75Å; A185-V187 VanDerWaalsContact C-N 3.29Å; A185-V187 PolarHBondContact O-N 3.39Å; A185-T188 WeakPolarHBondContact CB-OG1 3.47Å
186	V	87.4	Confident	83.6	Confident	35 Å²	35	73.5 Å²	73.5	21%	0.212	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-44.6	172.7	-178.5	0	0	0	0	109.9	L177 Q179 F211 F217	L177-V186 HydrophobicContact CD2-CB 4.4Å; L177-V186 HydrophobicContact CG-CB 4.38Å; L177-V186 PolarHBondContact O-N 2.79Å; Q179-V186 HydrophobicContact CB-CG2 3.89Å; V186-F211 HydrophobicContact CG1-CB 4.43Å; V186-F211 HydrophobicContact CG1-CD2 4.11Å; V186-F211 HydrophobicContact CG1-CG 4.31Å; V186-F211 WeakPolarHBondContact O-CE2 3.45Å; V186-F217 HydrophobicContact CG2-CZ 4.39Å
187	V	92.4	Very high	83.5	Confident	8 Å²	8	72.3 Å²	72.3	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.8	171.9	-69.7	0	0	0	0	110.8	L158 K176 L177 A185 V208 E209 F211	L158-V187 HydrophobicContact CD1-CG2 4.07Å; K176-V187 WeakPolarHBondContact CA-O 3.47Å; L177-V187 HydrophobicContact CB-CG2 3.45Å; L177-V187 VanDerWaalsContact CB-CG2 3.45Å; L177-V187 HydrophobicContact CD2-CG2 3.9Å; L177-V187 HydrophobicContact CG-CG2 4.3Å; L177-V187 PolarHBondContact N-O 2.84Å; A185-V187 VanDerWaalsContact C-N 3.29Å; A185-V187 PolarHBondContact O-N 3.39Å; V187-V208 HydrophobicContact CB-CB 4.09Å; V187-V208 HydrophobicContact CB-CG1 4.41Å; V187-V208 HydrophobicContact CB-CG2 4.26Å; V187-V208 HydrophobicContact CG1-CB 4.19Å; V187-V208 HydrophobicContact CG1-CG2 4.21Å; V187-V208 HydrophobicContact CG2-CG2 4.31Å; V187-E209 VanDerWaalsContact CG1-O 3.23Å; V187-E209 WeakPolarHBondContact CG1-O 3.37Å; V187-F211 HydrophobicContact CG1-CD2 3.55Å; V187-F211 HydrophobicContact CG1-CE2 3.74Å
188	T	93.9	Very high	83.5	Confident	63 Å²	63	75.5 Å²	75.5	39%	0.387	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.3	177.4	-63.5	0	0	0	0	111	T174 V175 K176 A185 R190	T174-T188 HydrophobicContact CG2-CG2 3.77Å; V175-T188 CarbonylContact O-C 3.6Å; V175-T188 WeakPolarHBondContact O-CA 3.26Å; K176-T188 HydrophobicContact CG-CG2 4.26Å; A185-T188 WeakPolarHBondContact CB-OG1 3.47Å; T188-R190 HydrophobicContact CG2-CG 4.37Å
189	A	94.7	Very high	83.5	Confident	7 Å²	7	76.6 Å²	76.6	6%	0.058	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134	168.7	0	0	0	0	0	110.1	L158 V175 F191 K206 V208	L158-A189 HydrophobicContact CB-CB 3.85Å; L158-A189 HydrophobicContact CD1-CB 4.01Å; L158-A189 HydrophobicContact CG-CB 4.41Å; V175-A189 PolarHBondContact N-O 2.79Å; V175-A189 PolarHBondContact O-N 3.47Å; A189-F191 HydrophobicContact CB-CE2 3.7Å; A189-F191 HydrophobicContact CB-CZ 4.25Å; A189-K206 HydrophobicContact CB-CB 4.31Å; A189-V208 HydrophobicContact CB-CG1 4.09Å
190	R	93.4	Very high	83.7	Confident	171 Å²	171	75 Å²	75	65%	0.645	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	130.9	177.6	-63.4	-178.2	-176.2	172.4	2.3	109.8	T174 T188 K206	T174-R190 HydrophobicContact CG2-CG 4.03Å; T188-R190 HydrophobicContact CG2-CG 4.37Å; R190-K206 WeakPolarHBondContact O-CE 3.47Å; R190-K206 PolarHBondContact O-NZ 3.26Å
191	F	91.9	Very high	84.5	Confident	3 Å²	3	76.2 Å²	76.2	1%	0.013	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.2	-178.1	-65.2	-98.3	0	0	0	109.8	L158 V160 L169 N172 V173 V175 A189 M196 W204 K206	L158-F191 WeakPolarHBondContact O-CZ 3.3Å; V160-F191 HydrophobicContact CB-CG 4.48Å; V160-F191 HydrophobicContact CG1-CD1 4.4Å; V160-F191 HydrophobicContact CG1-CD2 3.54Å; V160-F191 HydrophobicContact CG1-CE2 3.74Å; V160-F191 HydrophobicContact CG1-CG 3.91Å; V160-F191 HydrophobicContact CG1-CZ 4.26Å; V160-F191 HydrophobicContact CG2-CB 4.13Å; V160-F191 HydrophobicContact CG2-CD1 3.5Å; V160-F191 VanDerWaalsContact CG2-CD1 3.5Å; V160-F191 HydrophobicContact CG2-CD2 4.15Å; V160-F191 HydrophobicContact CG2-CE1 3.87Å; V160-F191 HydrophobicContact CG2-CE2 4.48Å; V160-F191 HydrophobicContact CG2-CG 3.66Å; V160-F191 HydrophobicContact CG2-CZ 4.35Å; L169-F191 HydrophobicContact CD2-CB 3.66Å; N172-F191 VanDerWaalsContact CA-O 3.3Å; N172-F191 WeakPolarHBondContact CA-O 3.47Å; V173-F191 HydrophobicContact CB-CB 4.46Å; V173-F191 PolarHBondContact N-O 2.98Å; V173-F191 PolarHBondContact O-N 2.83Å; V175-F191 HydrophobicContact CB-CE2 4.5Å; V175-F191 HydrophobicContact CG2-CD2 4.02Å; V175-F191 HydrophobicContact CG2-CE2 3.71Å; A189-F191 HydrophobicContact CB-CE2 3.7Å; A189-F191 HydrophobicContact CB-CZ 4.25Å; F191-M196 WeakPolarHBondContact CD1-O 3.25Å; F191-M196 VanDerWaalsContact CE1-O 3.28Å; F191-M196 WeakPolarHBondContact CE1-O 3.37Å; F191-W204 HydrophobicContact CD1-CB 4.3Å; F191-W204 HydrophobicContact CE1-CB 4.15Å; F191-W204 VanDerWaalsContact CE1-O 3.22Å; F191-W204 WeakPolarHBondContact CE1-O 3.49Å; F191-K206 HydrophobicContact CD1-CD 4.18Å; F191-K206 HydrophobicContact CD1-CG 4.32Å; F191-K206 HydrophobicContact CE1-CB 4.22Å; F191-K206 HydrophobicContact CE1-CD 3.91Å; F191-K206 HydrophobicContact CE1-CG 3.64Å; F191-K206 HydrophobicContact CZ-CB 3.96Å; F191-K206 HydrophobicContact CZ-CD 4.08Å; F191-K206 HydrophobicContact CZ-CG 3.86Å
192	S	88.4	Confident	85.9	Confident	22 Å²	22	72.1 Å²	72.1	15%	0.154	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-149.8	168.4	176.6	66.9	0	0	0	0	110.1	N172 I194 S195 M196	N172-S192 WeakPolarHBondContact OD1-CB 3.43Å; S192-I194 PolarHBondContact O-N 3.42Å; S192-I194 VanDerWaalsContact O-N 3.11Å; S192-I194 WeakPolarHBondContact OG-CG1 3.17Å; S192-S195 PolarHBondContact N-O 2.99Å; S192-S195 VanDerWaalsContact N-O 3.09Å; S192-S195 CarbonylContact O-C 3.55Å; S192-S195 PolarHBondContact O-N 3.16Å; S192-S195 PolarHBondContact OG-N 3.19Å; S192-M196 WeakPolarHBondContact O-CG 3.25Å; S192-M196 PolarHBondContact O-N 2.98Å
193	S	84.1	Confident	86.9	Confident	89 Å²	89	67.5 Å²	67.5	62%	0.622	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.2	178.1	56.4	0	0	0	0	114.2
194	I	84.3	Confident	88.2	Confident	160 Å²	160	59.5 Å²	59.5	82%	0.821	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.3	178.1	60.9	169.2	0	0	0	113.1	S192	S192-I194 PolarHBondContact O-N 3.42Å; S192-I194 VanDerWaalsContact O-N 3.11Å; S192-I194 WeakPolarHBondContact OG-CG1 3.17Å
195	S	87.6	Confident	88.8	Confident	57 Å²	57	52 Å²	52	40%	0.399	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-149.1	81.2	-176.3	-163.5	0	0	0	0	109	S192 K206	S192-S195 PolarHBondContact N-O 2.99Å; S192-S195 VanDerWaalsContact N-O 3.09Å; S192-S195 CarbonylContact O-C 3.55Å; S192-S195 PolarHBondContact O-N 3.16Å; S192-S195 PolarHBondContact OG-N 3.19Å; S195-K206 VanDerWaalsContact CB-NZ 3.34Å; S195-K206 WeakPolarHBondContact O-CE 3.34Å; S195-K206 PolarHBondContact O-NZ 3.11Å; S195-K206 PolarHBondContact OG-NZ 3.3Å
196	M	84.1	Confident	89.3	Confident	37 Å²	37	52.1 Å²	52.1	18%	0.182	29%	0.287	C	S	.	.			trans	-95.8	-27.6	-175.4	-57.7	172.7	82.4	0	0	112.3	L169 F191 S192 W204	L169-M196 HydrophobicContact CB-CE 3.61Å; F191-M196 WeakPolarHBondContact CD1-O 3.25Å; F191-M196 VanDerWaalsContact CE1-O 3.28Å; F191-M196 WeakPolarHBondContact CE1-O 3.37Å; S192-M196 WeakPolarHBondContact O-CG 3.25Å; S192-M196 PolarHBondContact O-N 2.98Å; M196-W204 HydrophobicContact CB-CD2 3.91Å; M196-W204 HydrophobicContact CB-CE3 3.76Å; M196-W204 HydrophobicContact CB-CG 4.44Å; M196-W204 HydrophobicContact CB-CH2 4.47Å; M196-W204 HydrophobicContact CB-CZ3 4.06Å; M196-W204 HydrophobicContact CE-CD2 4.3Å; M196-W204 HydrophobicContact CE-CH2 4.47Å; M196-W204 HydrophobicContact CE-CZ2 3.68Å; M196-W204 HydrophobicContact SD-CZ2 4.3Å
197	G	89.4	Confident	89.7	Confident	38 Å²	38	55.3 Å²	55.3	39%	0.392	31%	0.308	S	S	.	.			trans	92	-148.7	-172.8	0	0	0	0	0	111.2	W204 Y205	G197-W204 WeakPolarHBondContact O-CZ3 3.44Å; G197-Y205 WeakPolarHBondContact CA-O 3.43Å
198	T	90.8	Very high	89.8	Confident	72 Å²	72	55.9 Å²	55.9	44%	0.442	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.4	176	68.5	0	0	0	0	110.4	R157 Y205	R157-T198 PolarHBondContact NH2-OG1 3.39Å; T198-Y205 PolarHBondContact N-O 3.28Å; T198-Y205 PolarHBondContact O-N 3.21Å
199	V	87.8	Confident	89.7	Confident	65 Å²	65	59.6 Å²	59.6	39%	0.394	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.8	177.6	64.3	0	0	0	0	110.9	P167 V203 W204	P167-V199 HydrophobicContact CB-CG2 4.46Å; V199-V203 CarbonylContact C-O 3.51Å; V199-V203 WeakPolarHBondContact CA-O 3.34Å; V199-W204 HydrophobicContact CB-CD2 3.97Å; V199-W204 HydrophobicContact CB-CE3 3.77Å; V199-W204 HydrophobicContact CB-CH2 3.82Å; V199-W204 HydrophobicContact CB-CZ2 4.02Å; V199-W204 HydrophobicContact CB-CZ3 3.7Å; V199-W204 HydrophobicContact CG1-CH2 4.01Å; V199-W204 HydrophobicContact CG1-CZ2 4.44Å; V199-W204 HydrophobicContact CG1-CZ3 4.14Å
200	V	86.7	Confident	89.6	Confident	47 Å²	47	65.6 Å²	65.6	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.5	169.4	-170.4	0	0	0	0	107.1	E125 W202 V203 Y205	E125-V200 WeakPolarHBondContact OE1-CG1 3.3Å; V200-W202 VanDerWaalsContact C-N 3.27Å; V200-W202 PolarHBondContact O-N 3.37Å; V200-W202 VanDerWaalsContact O-N 3.11Å; V200-V203 PolarHBondContact N-O 3.47Å; V200-V203 WeakPolarHBondContact O-CA 3.04Å; V200-V203 WeakPolarHBondContact O-CB 3.3Å; V200-V203 PolarHBondContact O-N 3.37Å; V200-V203 VanDerWaalsContact O-O 3.12Å; V200-Y205 HydrophobicContact CB-CD2 4.18Å; V200-Y205 HydrophobicContact CB-CE2 4.3Å; V200-Y205 HydrophobicContact CG2-CD2 4.39Å
201	N	83.6	Confident	89.3	Confident	76 Å²	76	61.1 Å²	61.1	41%	0.406	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	45.6	178.1	-60.8	-32	0	0	0	114.3	E125 V203	E125-N201 PolarHBondContact OE2-ND2 3.36Å; N201-V203 PolarHBondContact O-N 2.63Å
202	W	85.2	Confident	89.4	Confident	85 Å²	85	65 Å²	65	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	8	-177.8	-55.1	95.6	0	0	0	116.3	P132 L135 S162 V200	P132-W202 HydrophobicContact CB-CD2 3.83Å; P132-W202 HydrophobicContact CB-CE3 4.17Å; P132-W202 HydrophobicContact CB-CG 4.23Å; P132-W202 HydrophobicContact CB-CH2 4.36Å; P132-W202 HydrophobicContact CB-CZ2 4.05Å; P132-W202 HydrophobicContact CB-CZ3 4.42Å; P132-W202 HydrophobicContact CG-CD2 4.39Å; P132-W202 HydrophobicContact CG-CH2 4.32Å; P132-W202 HydrophobicContact CG-CZ2 3.76Å; L135-W202 HydrophobicContact CD1-CB 4.18Å; S162-W202 VanDerWaalsContact CB-O 3.29Å; S162-W202 WeakPolarHBondContact CB-O 3.36Å; S162-W202 PolarHBondContact N-O 2.73Å; S162-W202 PolarHBondContact OG-O 3.29Å; V200-W202 VanDerWaalsContact C-N 3.27Å; V200-W202 PolarHBondContact O-N 3.37Å; V200-W202 VanDerWaalsContact O-N 3.11Å
203	V	88.8	Confident	89.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	173.9	-169	0	0	0	0	109.5	V160 F161 V199 V200 N201 Y205	V160-V203 WeakPolarHBondContact O-CA 3.35Å; F161-V203 HydrophobicContact CD1-CG2 3.79Å; F161-V203 HydrophobicContact CE1-CG2 3.74Å; V199-V203 CarbonylContact C-O 3.51Å; V199-V203 WeakPolarHBondContact CA-O 3.34Å; V200-V203 PolarHBondContact N-O 3.47Å; V200-V203 WeakPolarHBondContact O-CA 3.04Å; V200-V203 WeakPolarHBondContact O-CB 3.3Å; V200-V203 PolarHBondContact O-N 3.37Å; V200-V203 VanDerWaalsContact O-O 3.12Å; N201-V203 PolarHBondContact O-N 2.63Å; V203-Y205 HydrophobicContact CB-CD2 4.08Å; V203-Y205 HydrophobicContact CB-CE2 3.49Å; V203-Y205 VanDerWaalsContact CB-CE2 3.49Å; V203-Y205 HydrophobicContact CG1-CD1 4.35Å; V203-Y205 HydrophobicContact CG1-CD2 4.06Å; V203-Y205 HydrophobicContact CG1-CE1 3.89Å; V203-Y205 HydrophobicContact CG1-CE2 3.59Å; V203-Y205 HydrophobicContact CG1-CG 4.42Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.48Å; V203-Y205 HydrophobicContact CG2-CE2 4.31Å
204	W	91.4	Very high	90.1	Very high	30 Å²	30	63.3 Å²	63.3	11%	0.114	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.8	170.5	-75.2	106	0	0	0	109.7	G159 V160 S162 P167 F191 M196 G197 V199	G159-W204 CarbonylContact C-O 3.6Å; G159-W204 WeakPolarHBondContact CA-O 3.37Å; V160-W204 HydrophobicContact CG2-CB 3.84Å; V160-W204 PolarHBondContact N-O 3.45Å; V160-W204 PolarHBondContact O-N 3.07Å; S162-W204 PolarHBondContact OG-NE1 3.2Å; S162-W204 VanDerWaalsContact OG-NE1 3.1Å; P167-W204 HydrophobicContact CB-CZ2 3.81Å; P167-W204 HydrophobicContact CG-CZ2 4.39Å; P167-W204 WeakPolarHBondContact O-CZ2 3.29Å; F191-W204 HydrophobicContact CD1-CB 4.3Å; F191-W204 HydrophobicContact CE1-CB 4.15Å; F191-W204 VanDerWaalsContact CE1-O 3.22Å; F191-W204 WeakPolarHBondContact CE1-O 3.49Å; M196-W204 HydrophobicContact CB-CD2 3.91Å; M196-W204 HydrophobicContact CB-CE3 3.76Å; M196-W204 HydrophobicContact CB-CG 4.44Å; M196-W204 HydrophobicContact CB-CH2 4.47Å; M196-W204 HydrophobicContact CB-CZ3 4.06Å; M196-W204 HydrophobicContact CE-CD2 4.3Å; M196-W204 HydrophobicContact CE-CH2 4.47Å; M196-W204 HydrophobicContact CE-CZ2 3.68Å; M196-W204 HydrophobicContact SD-CZ2 4.3Å; G197-W204 WeakPolarHBondContact O-CZ3 3.44Å; V199-W204 HydrophobicContact CB-CD2 3.97Å; V199-W204 HydrophobicContact CB-CE3 3.77Å; V199-W204 HydrophobicContact CB-CH2 3.82Å; V199-W204 HydrophobicContact CB-CZ2 4.02Å; V199-W204 HydrophobicContact CB-CZ3 3.7Å; V199-W204 HydrophobicContact CG1-CH2 4.01Å; V199-W204 HydrophobicContact CG1-CZ2 4.44Å; V199-W204 HydrophobicContact CG1-CZ3 4.14Å
205	Y	94	Very high	90.5	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.9	-179.7	-72.8	-75.9	0	0	0	113.3	R157 L158 G197 T198 V200 V203 T274	R157-Y205 HydrophobicContact CB-CD1 4.04Å; R157-Y205 HydrophobicContact CB-CG 4.46Å; L158-Y205 WeakPolarHBondContact O-CA 3.49Å; G197-Y205 WeakPolarHBondContact CA-O 3.43Å; T198-Y205 PolarHBondContact N-O 3.28Å; T198-Y205 PolarHBondContact O-N 3.21Å; V200-Y205 HydrophobicContact CB-CD2 4.18Å; V200-Y205 HydrophobicContact CB-CE2 4.3Å; V200-Y205 HydrophobicContact CG2-CD2 4.39Å; V203-Y205 HydrophobicContact CB-CD2 4.08Å; V203-Y205 HydrophobicContact CB-CE2 3.49Å; V203-Y205 VanDerWaalsContact CB-CE2 3.49Å; V203-Y205 HydrophobicContact CG1-CD1 4.35Å; V203-Y205 HydrophobicContact CG1-CD2 4.06Å; V203-Y205 HydrophobicContact CG1-CE1 3.89Å; V203-Y205 HydrophobicContact CG1-CE2 3.59Å; V203-Y205 HydrophobicContact CG1-CG 4.42Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.48Å; V203-Y205 HydrophobicContact CG2-CE2 4.31Å; Y205-T274 HydrophobicContact CD1-CG2 4.21Å; Y205-T274 HydrophobicContact CE1-CG2 3.82Å; Y205-T274 HydrophobicContact CE2-CG2 4.43Å
206	K	95.6	Very high	90.5	Very high	28 Å²	28	58.7 Å²	58.7	12%	0.122	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.3	168.6	-75.3	-174.9	-179.4	-163.5	0	111.1	R157 L158 A189 R190 F191 S195	R157-K206 CarbonylContact C-O 3.52Å; R157-K206 WeakPolarHBondContact CA-O 3.45Å; R157-K206 VanDerWaalsContact CB-O 3.28Å; R157-K206 WeakPolarHBondContact CB-O 3.44Å; L158-K206 PolarHBondContact N-O 3.12Å; L158-K206 PolarHBondContact O-N 3.19Å; A189-K206 HydrophobicContact CB-CB 4.31Å; R190-K206 WeakPolarHBondContact O-CE 3.47Å; R190-K206 PolarHBondContact O-NZ 3.26Å; F191-K206 HydrophobicContact CD1-CD 4.18Å; F191-K206 HydrophobicContact CD1-CG 4.32Å; F191-K206 HydrophobicContact CE1-CB 4.22Å; F191-K206 HydrophobicContact CE1-CD 3.91Å; F191-K206 HydrophobicContact CE1-CG 3.64Å; F191-K206 HydrophobicContact CZ-CB 3.96Å; F191-K206 HydrophobicContact CZ-CD 4.08Å; F191-K206 HydrophobicContact CZ-CG 3.86Å; S195-K206 VanDerWaalsContact CB-NZ 3.34Å; S195-K206 WeakPolarHBondContact O-CE 3.34Å; S195-K206 PolarHBondContact O-NZ 3.11Å; S195-K206 PolarHBondContact OG-NZ 3.3Å
207	P	95.4	Very high	90.7	Very high	101 Å²	101	57.5 Å²	57.5	66%	0.656	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	145.1	172.6	29.8	-34.4	0	0	0	109.8	T156	T156-P207 WeakPolarHBondContact O-CA 3.36Å
208	V	94.9	Very high	90.5	Very high	20 Å²	20	56.9 Å²	56.9	12%	0.121	30%	0.301	C	S	.	.			trans	-122.2	167	173.7	-68.1	0	0	0	0	110	I155 T156 L158 V187 A189 Q210	I155-V208 HydrophobicContact CG2-CG2 4.16Å; T156-V208 PolarHBondContact O-N 3.37Å; L158-V208 HydrophobicContact CB-CG1 4.27Å; L158-V208 HydrophobicContact CD1-CG1 3.93Å; L158-V208 HydrophobicContact CG-CG1 3.74Å; L158-V208 HydrophobicContact CG-CG2 4.38Å; V187-V208 HydrophobicContact CB-CB 4.09Å; V187-V208 HydrophobicContact CB-CG1 4.41Å; V187-V208 HydrophobicContact CB-CG2 4.26Å; V187-V208 HydrophobicContact CG1-CB 4.19Å; V187-V208 HydrophobicContact CG1-CG2 4.21Å; V187-V208 HydrophobicContact CG2-CG2 4.31Å; A189-V208 HydrophobicContact CB-CG1 4.09Å; V208-Q210 PolarHBondContact O-N 3.5Å
209	E	92.6	Very high	90.3	Very high	141 Å²	141	53.6 Å²	53.6	66%	0.659	28%	0.282	S	S	*	.			trans	-59.5	132.2	169	-173.2	171.9	-171.9	0	0	109.5	V187 F211	V187-E209 VanDerWaalsContact CG1-O 3.23Å; V187-E209 WeakPolarHBondContact CG1-O 3.37Å; E209-F211 HydrophobicContact CB-CD2 4.44Å; E209-F211 HydrophobicContact CB-CE2 3.75Å; E209-F211 HydrophobicContact CB-CZ 4.33Å; E209-F211 HydrophobicContact CG-CD2 4.3Å; E209-F211 HydrophobicContact CG-CE2 3.56Å; E209-F211 HydrophobicContact CG-CZ 3.69Å; E209-F211 WeakPolarHBondContact O-CD2 3.31Å
210	Q	91.4	Very high	90.2	Very high	133 Å²	133	51.7 Å²	51.7	62%	0.621	27%	0.27	S	S	*	.			trans	-88.9	114.7	-172.1	-70.6	-177.9	2	0	0	109.9	V154 V208	V154-Q210 HydrophobicContact CG1-CB 3.7Å; V154-Q210 HydrophobicContact CG1-CG 4.05Å; V208-Q210 PolarHBondContact O-N 3.5Å
211	F	87.9	Confident	90.2	Very high	77 Å²	77	49.6 Å²	49.6	34%	0.338	26%	0.257	S	S	.	.			trans	-115.2	140	172.7	-63.9	-83.8	0	0	0	110	V186 V187 E209 L213	V186-F211 HydrophobicContact CG1-CB 4.43Å; V186-F211 HydrophobicContact CG1-CD2 4.11Å; V186-F211 HydrophobicContact CG1-CG 4.31Å; V186-F211 WeakPolarHBondContact O-CE2 3.45Å; V187-F211 HydrophobicContact CG1-CD2 3.55Å; V187-F211 HydrophobicContact CG1-CE2 3.74Å; E209-F211 HydrophobicContact CB-CD2 4.44Å; E209-F211 HydrophobicContact CB-CE2 3.75Å; E209-F211 HydrophobicContact CB-CZ 4.33Å; E209-F211 HydrophobicContact CG-CD2 4.3Å; E209-F211 HydrophobicContact CG-CE2 3.56Å; E209-F211 HydrophobicContact CG-CZ 3.69Å; E209-F211 WeakPolarHBondContact O-CD2 3.31Å; F211-L213 PolarHBondContact O-N 2.83Å
212	I	93	Very high	90.4	Very high	85 Å²	85	46.7 Å²	46.7	44%	0.436	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.9	169.5	-58.6	163.8	0	0	0	107.3	P152 V154 P214 Y278	P152-I212 HydrophobicContact CB-CG2 4.23Å; V154-I212 HydrophobicContact CG2-CG1 3.92Å; I212-P214 WeakPolarHBondContact O-CD 3.3Å; I212-Y278 HydrophobicContact CD1-CD2 3.82Å; I212-Y278 HydrophobicContact CD1-CE1 4.21Å; I212-Y278 HydrophobicContact CD1-CE2 3.36Å; I212-Y278 HydrophobicContact CD1-CG 4.41Å; I212-Y278 HydrophobicContact CG1-CD2 3.86Å; I212-Y278 HydrophobicContact CG1-CE2 3.94Å; I212-Y278 HydrophobicContact CG1-CG 4.34Å; I212-Y278 HydrophobicContact CG2-CD1 4.13Å; I212-Y278 HydrophobicContact CG2-CD2 4.43Å; I212-Y278 HydrophobicContact CG2-CG 4.06Å
213	L	94.6	Very high	90.6	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.9	169.6	-54.3	-173.1	0	0	0	108	F147 V149 P152 V153 I155 L177 F211 F217	F147-L213 HydrophobicContact CE2-CD1 4.17Å; F147-L213 HydrophobicContact CZ-CD1 4.21Å; V149-L213 HydrophobicContact CG2-CB 4.01Å; V149-L213 HydrophobicContact CG2-CD1 4.31Å; P152-L213 VanDerWaalsContact CA-O 3.22Å; P152-L213 WeakPolarHBondContact CA-O 3.26Å; V153-L213 HydrophobicContact CG2-CB 4.09Å; V153-L213 HydrophobicContact CG2-CD1 4.29Å; V153-L213 PolarHBondContact N-O 3.3Å; V153-L213 VanDerWaalsContact N-O 3.12Å; V153-L213 PolarHBondContact O-N 2.91Å; I155-L213 HydrophobicContact CD1-CD1 3.87Å; I155-L213 HydrophobicContact CG1-CD1 3.5Å; I155-L213 VanDerWaalsContact CG1-CD1 3.5Å; I155-L213 HydrophobicContact CG1-CG 4.14Å; L177-L213 HydrophobicContact CD2-CD1 4.05Å; L177-L213 HydrophobicContact CD2-CD2 4.33Å; F211-L213 PolarHBondContact O-N 2.83Å; L213-F217 HydrophobicContact CB-CB 4.32Å; L213-F217 HydrophobicContact CB-CD1 4.15Å; L213-F217 HydrophobicContact CB-CG 4.13Å; L213-F217 HydrophobicContact CD1-CD1 3.93Å; L213-F217 HydrophobicContact CD1-CE1 3.83Å; L213-F217 HydrophobicContact CD1-CZ 4.49Å; L213-F217 HydrophobicContact CD2-CD1 4.29Å; L213-F217 HydrophobicContact CD2-CD2 4.27Å; L213-F217 HydrophobicContact CD2-CE1 4.03Å; L213-F217 HydrophobicContact CD2-CE2 4.02Å; L213-F217 HydrophobicContact CD2-CG 4.41Å; L213-F217 HydrophobicContact CD2-CZ 3.9Å; L213-F217 HydrophobicContact CG-CD1 4.36Å; L213-F217 HydrophobicContact CG-CE1 4.4Å
214	P	93.9	Very high	90.6	Very high	72 Å²	72	45.9 Å²	45.9	47%	0.468	24%	0.242	S	C	.	.			trans	-74	163	-176.2	30.1	-36	0	0	0	112.6	V149 I212 G216 F217	V149-P214 WeakPolarHBondContact CG1-O 3.29Å; I212-P214 WeakPolarHBondContact O-CD 3.3Å; P214-G216 PolarHBondContact O-N 3.04Å; P214-F217 HydrophobicContact CG-CB 4.31Å; P214-F217 WeakPolarHBondContact O-CB 3.38Å; P214-F217 PolarHBondContact O-N 2.93Å
215	K	91.6	Very high	90.2	Very high	81 Å²	81	45.1 Å²	45.1	35%	0.352	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	132.9	168.7	177.9	176.6	-175.3	-173.7	0	109.9	E100 R102 L150 F217	E100-K215 PolarHBondContact O-NZ 2.63Å; R102-K215 PolarHBondContact O-NZ 3.41Å; L150-K215 WeakPolarHBondContact O-CD 3.49Å; L150-K215 WeakPolarHBondContact O-CE 3.19Å; L150-K215 WeakPolarHBondContact O-CG 3.31Å; K215-F217 VanDerWaalsContact C-N 3.3Å
216	G	87.6	Confident	89.2	Confident	38 Å²	38	50.6 Å²	50.6	39%	0.392	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.6	-175.9	0	0	0	0	0	114.1	V149 P214 E218	V149-G216 PolarHBondContact O-N 3.27Å; P214-G216 PolarHBondContact O-N 3.04Å; G216-E218 PolarHBondContact O-N 2.86Å
217	F	88.9	Confident	87.9	Confident	13 Å²	13	53.8 Å²	53.8	6%	0.057	29%	0.285	C	S	.	.			trans	-60	128	169	-179.6	-87.9	0	0	0	109.4	F147 K148 V149 Q179 V186 L213 P214 K215	F147-F217 HydrophobicContact CE2-CD1 4.5Å; F147-F217 HydrophobicContact CZ-CE1 4.35Å; K148-F217 WeakPolarHBondContact CA-O 3.28Å; V149-F217 HydrophobicContact CB-CB 4.07Å; V149-F217 HydrophobicContact CG2-CB 3.99Å; V149-F217 HydrophobicContact CG2-CD1 3.93Å; V149-F217 HydrophobicContact CG2-CG 4.42Å; V149-F217 PolarHBondContact N-O 3.49Å; Q179-F217 HydrophobicContact CB-CE2 3.8Å; Q179-F217 HydrophobicContact CB-CZ 4Å; Q179-F217 HydrophobicContact CG-CD2 4.33Å; Q179-F217 HydrophobicContact CG-CE2 3.68Å; Q179-F217 HydrophobicContact CG-CZ 4.26Å; V186-F217 HydrophobicContact CG2-CZ 4.39Å; L213-F217 HydrophobicContact CB-CB 4.32Å; L213-F217 HydrophobicContact CB-CD1 4.15Å; L213-F217 HydrophobicContact CB-CG 4.13Å; L213-F217 HydrophobicContact CD1-CD1 3.93Å; L213-F217 HydrophobicContact CD1-CE1 3.83Å; L213-F217 HydrophobicContact CD1-CZ 4.49Å; L213-F217 HydrophobicContact CD2-CD1 4.29Å; L213-F217 HydrophobicContact CD2-CD2 4.27Å; L213-F217 HydrophobicContact CD2-CE1 4.03Å; L213-F217 HydrophobicContact CD2-CE2 4.02Å; L213-F217 HydrophobicContact CD2-CG 4.41Å; L213-F217 HydrophobicContact CD2-CZ 3.9Å; L213-F217 HydrophobicContact CG-CD1 4.36Å; L213-F217 HydrophobicContact CG-CE1 4.4Å; P214-F217 HydrophobicContact CG-CB 4.31Å; P214-F217 WeakPolarHBondContact O-CB 3.38Å; P214-F217 PolarHBondContact O-N 2.93Å; K215-F217 VanDerWaalsContact C-N 3.3Å
218	E	85.9	Confident	86.2	Confident	24 Å²	24	54.3 Å²	54.3	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	177.1	-74.4	166.8	168.2	0	0	106.4	K148 L180 G216 I392 G393	K148-E218 HydrophobicContact CB-CG 4.08Å; K148-E218 HydrophobicContact CD-CG 4Å; K148-E218 WeakPolarHBondContact CD-OE1 3.35Å; K148-E218 WeakPolarHBondContact CE-OE1 3.31Å; K148-E218 HydrophobicContact CG-CG 3.8Å; K148-E218 IonicContact NZ-OE1 3.63Å; K148-E218 PolarHBondContact NZ-OE1 3.14Å; L180-E218 HydrophobicContact CD1-CB 3.53Å; G216-E218 PolarHBondContact O-N 2.86Å; E218-I392 VanDerWaalsContact OE2-CB 3.22Å; E218-I392 WeakPolarHBondContact OE2-CB 3.02Å; E218-G393 PolarHBondContact OE1-N 3.34Å; E218-G393 PolarHBondContact OE2-N 2.7Å
219	G	85.4	Confident	84.7	Confident	3 Å²	3	54.7 Å²	54.7	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153	-170.9	0	0	0	0	0	112.4	F147 L178	F147-G219 WeakPolarHBondContact CD1-O 3.43Å; F147-G219 PolarHBondContact N-O 3.22Å; F147-G219 PolarHBondContact O-N 2.93Å; L178-G219 VanDerWaalsContact O-CA 3.31Å; L178-G219 WeakPolarHBondContact O-CA 3.47Å
220	T	85.4	Confident	83.6	Confident	26 Å²	26	52.4 Å²	52.4	16%	0.16	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.2	176.3	-56.9	0	0	0	0	108.6	A144 L145 D146 L178 V222	A144-T220 HydrophobicContact CB-CG2 3.74Å; L145-T220 WeakPolarHBondContact O-CA 3.18Å; D146-T220 WeakPolarHBondContact OD1-CB 3.23Å; D146-T220 VanDerWaalsContact OD1-CG2 3.22Å; D146-T220 WeakPolarHBondContact OD1-CG2 3.23Å; D146-T220 PolarHBondContact OD1-OG1 3.48Å; L178-T220 PolarHBondContact N-O 3.23Å; L178-T220 PolarHBondContact O-N 3.37Å; T220-V222 HydrophobicContact CG2-CG2 3.76Å
221	L	88.2	Confident	83	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.3	170.8	-169.4	66.9	0	0	0	109.1	A144 L145 L158 V175 K176 L177 W223 F273	A144-L221 CarbonylContact C-O 3.5Å; A144-L221 WeakPolarHBondContact CA-O 3.43Å; L145-L221 HydrophobicContact CB-CB 4.42Å; L145-L221 PolarHBondContact N-O 3.19Å; L145-L221 PolarHBondContact O-N 3.36Å; L158-L221 HydrophobicContact CD1-CD1 4.47Å; L158-L221 HydrophobicContact CD2-CD1 3.77Å; V175-L221 HydrophobicContact CG1-CD1 3.65Å; V175-L221 HydrophobicContact CG1-CD2 4.37Å; V175-L221 HydrophobicContact CG1-CG 3.96Å; K176-L221 CarbonylContact O-C 3.56Å; K176-L221 WeakPolarHBondContact O-CA 3.47Å; L177-L221 HydrophobicContact CB-CD1 4.24Å; L221-W223 HydrophobicContact CB-CH2 4.3Å; L221-W223 HydrophobicContact CB-CZ3 4.46Å; L221-W223 HydrophobicContact CD2-CH2 3.48Å; L221-W223 VanDerWaalsContact CD2-CH2 3.48Å; L221-W223 HydrophobicContact CD2-CZ2 3.28Å; L221-W223 HydrophobicContact CD2-CZ3 4.34Å; L221-W223 HydrophobicContact CG-CH2 3.95Å; L221-W223 HydrophobicContact CG-CZ2 3.93Å; L221-W223 HydrophobicContact CG-CZ3 4.34Å; L221-F273 HydrophobicContact CD2-CB 4.3Å; L221-F273 HydrophobicContact CD2-CD1 3.59Å; L221-F273 HydrophobicContact CD2-CE1 4.36Å; L221-F273 HydrophobicContact CD2-CG 4.4Å
222	V	87.8	Confident	82.9	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.5	-177.6	-168.4	0	0	0	0	110.1	I143 A144 V175 K176 L178 T220 E224	I143-V222 CarbonylContact O-C 3.59Å; I143-V222 WeakPolarHBondContact O-CA 3.12Å; A144-V222 HydrophobicContact CB-CG2 4.23Å; V175-V222 CarbonylContact C-O 3.51Å; V175-V222 VanDerWaalsContact CA-O 3.28Å; V175-V222 WeakPolarHBondContact CA-O 3.36Å; K176-V222 PolarHBondContact N-O 2.7Å; K176-V222 PolarHBondContact O-N 3.14Å; L178-V222 HydrophobicContact CD1-CG2 3.84Å; L178-V222 HydrophobicContact CG-CG2 4.37Å; T220-V222 HydrophobicContact CG2-CG2 3.76Å; V222-E224 HydrophobicContact CG1-CG 3.59Å
223	W	89.1	Confident	82.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.9	167.7	-63.2	-95.1	0	0	0	109.3	A142 I143 L145 G159 T174 V175 L221 L231 A270 G271	A142-W223 CarbonylContact C-O 3.54Å; A142-W223 WeakPolarHBondContact CA-O 3.29Å; I143-W223 HydrophobicContact CB-CE3 4.48Å; I143-W223 HydrophobicContact CG2-CE3 4.11Å; I143-W223 HydrophobicContact CG2-CZ3 4.45Å; I143-W223 PolarHBondContact N-O 2.97Å; I143-W223 PolarHBondContact O-N 2.98Å; L145-W223 HydrophobicContact CB-CH2 3.99Å; L145-W223 HydrophobicContact CB-CZ3 3.78Å; L145-W223 HydrophobicContact CD2-CH2 4.35Å; G159-W223 PolarHBondContact O-NE1 2.9Å; T174-W223 CarbonylContact O-C 3.57Å; T174-W223 WeakPolarHBondContact O-CA 3.3Å; V175-W223 HydrophobicContact CG1-CG 4.32Å; V175-W223 HydrophobicContact CG2-CG 4.32Å; L221-W223 HydrophobicContact CB-CH2 4.3Å; L221-W223 HydrophobicContact CB-CZ3 4.46Å; L221-W223 HydrophobicContact CD2-CH2 3.48Å; L221-W223 VanDerWaalsContact CD2-CH2 3.48Å; L221-W223 HydrophobicContact CD2-CZ2 3.28Å; L221-W223 HydrophobicContact CD2-CZ3 4.34Å; L221-W223 HydrophobicContact CG-CH2 3.95Å; L221-W223 HydrophobicContact CG-CZ2 3.93Å; L221-W223 HydrophobicContact CG-CZ3 4.34Å; W223-L231 HydrophobicContact CB-CD1 4.42Å; W223-A270 HydrophobicContact CB-CB 3.75Å; W223-A270 HydrophobicContact CD2-CB 3.9Å; W223-A270 HydrophobicContact CE3-CB 4.24Å; W223-A270 HydrophobicContact CG-CB 3.67Å; W223-G271 VanDerWaalsContact CZ2-C 3.43Å
224	E	87.2	Confident	82	Confident	69 Å²	69	39.9 Å²	39.9	32%	0.322	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	-178.7	-57.4	-179.1	140.2	0	0	110.7	S141 A142 V173 T174 K176 V222	S141-E224 WeakPolarHBondContact O-CA 3.41Å; A142-E224 HydrophobicContact CB-CG 4.23Å; V173-E224 CarbonylContact C-O 3.39Å; V173-E224 WeakPolarHBondContact CA-O 3.31Å; T174-E224 PolarHBondContact N-O 2.83Å; T174-E224 PolarHBondContact O-N 3Å; K176-E224 IonicContact NZ-OE2 2.78Å; K176-E224 PolarHBondContact NZ-OE2 2.88Å; V222-E224 HydrophobicContact CG1-CG 3.59Å
225	S	84.6	Confident	81.3	Confident	14 Å²	14	39.5 Å²	39.5	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.3	172.1	-179.1	0	0	0	0	110.1	S141 A229	S141-S225 PolarHBondContact O-N 2.85Å; S225-A229 VanDerWaalsContact CB-O 3.26Å; S225-A229 WeakPolarHBondContact CB-O 3.32Å; S225-A229 PolarHBondContact OG-N 3.17Å; S225-A229 PolarHBondContact OG-O 2.8Å
226	Q	72.2	Confident	80.4	Confident	117 Å²	117	36.6 Å²	36.6	55%	0.547	22%	0.216	S	C	.	.	S	Bend	trans	-84.6	-23.4	-177.3	-71.3	-179.6	-0.9	0	0	113.6	N172 T174	N172-Q226 HydrophobicContact CB-CB 4.5Å; N172-Q226 PolarHBondContact O-N 3.02Å; N172-Q226 VanDerWaalsContact O-N 3.1Å; T174-Q226 PolarHBondContact OG1-NE2 3.37Å
227	D	67.7	Low	79.8	Confident	94 Å²	94	39.9 Å²	39.9	50%	0.503	23%	0.232	S	C	.	.	S	Bend	trans	-108.8	19.6	-168.1	-58.4	-47.8	0	0	0	112.9	N172 A229	N172-D227 WeakPolarHBondContact CB-OD2 3.28Å; N172-D227 PolarHBondContact N-OD2 2.97Å; N172-D227 PolarHBondContact ND2-OD2 3.49Å; D227-A229 PolarHBondContact O-N 2.98Å
228	S	60.5	Low	79.2	Confident	113 Å²	113	41.7 Å²	41.7	79%	0.79	25%	0.247	S	C	*	.	S	Bend	trans	56.1	17.1	-169.3	-56.4	0	0	0	0	114
229	A	62.8	Low	78.8	Confident	27 Å²	27	41.4 Å²	41.4	22%	0.223	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-72.5	142	175.2	0	0	0	0	0	110.2	H170 S225 D227 L231	H170-A229 WeakPolarHBondContact O-CB 3.04Å; S225-A229 VanDerWaalsContact CB-O 3.26Å; S225-A229 WeakPolarHBondContact CB-O 3.32Å; S225-A229 PolarHBondContact OG-N 3.17Å; S225-A229 PolarHBondContact OG-O 2.8Å; D227-A229 PolarHBondContact O-N 2.98Å; A229-L231 PolarHBondContact O-N 2.72Å
230	L	69.3	Low	78.6	Confident	93 Å²	93	49.5 Å²	49.5	49%	0.487	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-65.2	127.4	-179.6	-58.4	172.9	0	0	0	109.9	A137 A138	A137-L230 HydrophobicContact CB-CB 4.03Å; A137-L230 HydrophobicContact CB-CD1 3.94Å; A138-L230 WeakPolarHBondContact O-CB 3.29Å; A138-L230 WeakPolarHBondContact O-CD2 3.36Å
231	L	79.4	Confident	78.6	Confident	6 Å²	6	51 Å²	51	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	143.9	171.5	-71.3	174.4	0	0	0	109.2	A137 A138 I143 V173 W223 A229 T233 A270	A137-L231 CarbonylContact C-O 3.49Å; A137-L231 WeakPolarHBondContact CA-O 3.49Å; A138-L231 PolarHBondContact N-O 2.86Å; I143-L231 HydrophobicContact CB-CD1 4.33Å; I143-L231 HydrophobicContact CD1-CD1 4.13Å; I143-L231 HydrophobicContact CG1-CD1 4.09Å; V173-L231 HydrophobicContact CG1-CD2 3.94Å; V173-L231 HydrophobicContact CG2-CD2 3.95Å; W223-L231 HydrophobicContact CB-CD1 4.42Å; A229-L231 PolarHBondContact O-N 2.72Å; L231-T233 HydrophobicContact CB-CG2 4.24Å; L231-A270 HydrophobicContact CB-CB 4.43Å; L231-A270 HydrophobicContact CD1-CB 4.29Å
232	T	85.8	Confident	78.6	Confident	15 Å²	15	53.8 Å²	53.8	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.5	167.9	-57.2	0	0	0	0	108.8	L135 V136 F161 S162 S163 A270	L135-T232 HydrophobicContact CB-CG2 3.75Å; L135-T232 HydrophobicContact CD2-CG2 4.37Å; L135-T232 HydrophobicContact CG-CG2 4.5Å; V136-T232 CarbonylContact O-C 3.14Å; F161-T232 HydrophobicContact CB-CG2 4.13Å; S162-T232 VanDerWaalsContact O-CG2 3.3Å; S162-T232 WeakPolarHBondContact O-CG2 3.45Å; S163-T232 VanDerWaalsContact CB-OG1 3.29Å; S163-T232 WeakPolarHBondContact CB-OG1 3.29Å; S163-T232 PolarHBondContact OG-OG1 2.81Å; S163-T232 VanDerWaalsContact OG-OG1 3.09Å; T232-A270 WeakPolarHBondContact O-CA 3.47Å
233	T	85.3	Confident	78.7	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.5	-172.3	69.4	0	0	0	0	113.4	L135 V136 A138 I143 L231 L269 A270	L135-T233 CarbonylContact C-O 3.54Å; L135-T233 WeakPolarHBondContact CA-O 3.24Å; V136-T233 PolarHBondContact N-O 3.04Å; V136-T233 PolarHBondContact O-N 2.89Å; V136-T233 PolarHBondContact O-OG1 2.96Å; A138-T233 HydrophobicContact CB-CG2 3.37Å; I143-T233 HydrophobicContact CD1-CG2 3.14Å; L231-T233 HydrophobicContact CB-CG2 4.24Å; T233-L269 CarbonylContact C-O 3.55Å; T233-L269 WeakPolarHBondContact CA-O 3.17Å; T233-L269 WeakPolarHBondContact CB-O 3Å; T233-A270 HydrophobicContact CG2-CB 4.3Å
234	V	83.3	Confident	78.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-129.6	141.6	170.2	73.5	0	0	0	0	109.7	L134 L135 F161 S236 V239 G268 L269	L134-V234 HydrophobicContact CB-CG2 3.74Å; L135-V234 HydrophobicContact CD2-CB 4.07Å; F161-V234 HydrophobicContact CE2-CB 4.13Å; F161-V234 HydrophobicContact CE2-CG1 3.52Å; F161-V234 HydrophobicContact CZ-CG1 3.65Å; V234-S236 PolarHBondContact O-N 2.79Å; V234-V239 HydrophobicContact CB-CG1 4.22Å; V234-V239 HydrophobicContact CG1-CB 4.47Å; V234-V239 HydrophobicContact CG1-CG1 3.68Å; V234-V239 HydrophobicContact CG1-CG2 3.96Å; V234-V239 HydrophobicContact CG2-CG1 3.49Å; V234-V239 VanDerWaalsContact CG2-CG1 3.49Å; V234-G268 CarbonylContact O-C 3.59Å; V234-G268 WeakPolarHBondContact O-CA 3.5Å; V234-L269 HydrophobicContact CG1-CB 4.14Å; V234-L269 HydrophobicContact CG1-CD1 4.42Å; V234-L269 PolarHBondContact N-O 3.43Å; V234-L269 PolarHBondContact O-N 2.95Å
235	N	78.7	Confident	78.9	Confident	64 Å²	64	54.7 Å²	54.7	34%	0.342	32%	0.32	S	S	.	.			trans	-65.6	129.3	174.4	-166.9	-32.6	0	0	0	109.8	S237 S238 P267	N235-S237 PolarHBondContact O-N 3.41Å; N235-S237 PolarHBondContact OD1-N 3.41Å; N235-S237 PolarHBondContact OD1-OG 3.24Å; N235-S238 PolarHBondContact O-N 3.24Å; N235-S238 PolarHBondContact O-OG 2.83Å; N235-P267 WeakPolarHBondContact CA-O 3.32Å
236	S	73.5	Confident	79.2	Confident	21 Å²	21	54.3 Å²	54.3	15%	0.147	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-60.9	-25.9	179.8	58.4	0	0	0	0	113.6	V234 S238 I253	V234-S236 PolarHBondContact O-N 2.79Å; S236-S238 VanDerWaalsContact C-N 3.26Å; S236-I253 WeakPolarHBondContact OG-CB 3.2Å
237	S	74.8	Confident	80.2	Confident	106 Å²	106	48.8 Å²	48.8	74%	0.741	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-75.6	-15.7	175	64.1	0	0	0	0	113.4	N235	N235-S237 PolarHBondContact O-N 3.41Å; N235-S237 PolarHBondContact OD1-N 3.41Å; N235-S237 PolarHBondContact OD1-OG 3.24Å
238	S	76.7	Confident	81.4	Confident	52 Å²	52	44.4 Å²	44.4	36%	0.364	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-98.3	-0.5	179.4	60.6	0	0	0	0	114.1	N235 S236	N235-S238 PolarHBondContact O-N 3.24Å; N235-S238 PolarHBondContact O-OG 2.83Å; S236-S238 VanDerWaalsContact C-N 3.26Å
239	V	78	Confident	82.7	Confident	18 Å²	18	43.6 Å²	43.6	11%	0.109	25%	0.251	C	S	.	.	S	Bend	trans	-126.9	144.4	178.5	-67.3	0	0	0	0	111.1	V127 V234 L269	V127-V239 HydrophobicContact CG2-CB 4.01Å; V127-V239 HydrophobicContact CG2-CG1 4.37Å; V127-V239 HydrophobicContact CG2-CG2 3.91Å; V234-V239 HydrophobicContact CB-CG1 4.22Å; V234-V239 HydrophobicContact CG1-CB 4.47Å; V234-V239 HydrophobicContact CG1-CG1 3.68Å; V234-V239 HydrophobicContact CG1-CG2 3.96Å; V234-V239 HydrophobicContact CG2-CG1 3.49Å; V234-V239 VanDerWaalsContact CG2-CG1 3.49Å; V239-L269 HydrophobicContact CG2-CD1 3.87Å
240	E	80.3	Confident	83.6	Confident	173 Å²	173	43.8 Å²	43.8	81%	0.808	25%	0.248	S	C	*	.			trans	-80.9	129	170	-68.3	-176	172.8	0	0	109.1
241	L	85.8	Confident	83.5	Confident	57 Å²	57	41.8 Å²	41.8	30%	0.298	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-97.9	126.9	174.8	-70	175.4	0	0	0	109.2	I126 V127 I250 L269	I126-L241 HydrophobicContact CG1-CD2 4.4Å; I126-L241 CarbonylContact O-C 3.48Å; I126-L241 VanDerWaalsContact O-CA 3.3Å; I126-L241 WeakPolarHBondContact O-CA 3.47Å; I126-L241 WeakPolarHBondContact O-CD2 3.33Å; V127-L241 HydrophobicContact CB-CD2 4.13Å; V127-L241 HydrophobicContact CG2-CD2 4.32Å; L241-I250 HydrophobicContact CB-CD1 3.81Å; L241-I250 HydrophobicContact CD1-CD1 3.99Å; L241-I250 HydrophobicContact CD1-CG2 4.04Å; L241-I250 HydrophobicContact CD2-CD1 4.49Å; L241-I250 HydrophobicContact CG-CD1 4.33Å; L241-L269 HydrophobicContact CD2-CD1 3.73Å
242	N	88.9	Confident	82.2	Confident	60 Å²	60	46.3 Å²	46.3	32%	0.321	27%	0.274	S	S	.	.			trans	-89.3	109.5	175	-174.7	1	0	0	0	109.4	E125 I126 G244	E125-N242 WeakPolarHBondContact O-CB 3.34Å; I126-N242 PolarHBondContact O-N 2.86Å; N242-G244 VanDerWaalsContact C-N 3.27Å; N242-G244 WeakPolarHBondContact OD1-CA 3.42Å; N242-G244 PolarHBondContact OD1-N 2.88Å
243	D	89.6	Confident	80.5	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	28%	0.281	S	S	.	.			trans	-88.5	6.4	177.7	67.2	5	0	0	0	113.4	G245 G246 V247 L248	D243-G245 VanDerWaalsContact C-N 3.34Å; D243-G245 WeakPolarHBondContact OD1-CA 3.37Å; D243-G245 PolarHBondContact OD1-N 2.84Å; D243-G246 PolarHBondContact O-N 2.03Å; D243-G246 PolarHBondContact OD1-N 2.94Å; D243-V247 WeakPolarHBondContact O-CG2 3.49Å; D243-V247 PolarHBondContact O-N 3.48Å; D243-L248 WeakPolarHBondContact CB-O 3.4Å; D243-L248 PolarHBondContact O-N 3.13Å
244	G	89.6	Confident	78.2	Confident	8 Å²	8	50.2 Å²	50.2	8%	0.082	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	32.6	-177.7	0	0	0	0	0	113.2	N242	N242-G244 VanDerWaalsContact C-N 3.27Å; N242-G244 WeakPolarHBondContact OD1-CA 3.42Å; N242-G244 PolarHBondContact OD1-N 2.88Å
245	G	90.3	Very high	75.9	Confident	27 Å²	27	58.4 Å²	58.4	28%	0.278	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	29.6	-175.1	0	0	0	0	0	112.5	V113 S114 D243	V113-G245 CarbonylContact C-O 3.48Å; V113-G245 WeakPolarHBondContact CA-O 3.32Å; S114-G245 PolarHBondContact N-O 3.3Å; D243-G245 VanDerWaalsContact C-N 3.34Å; D243-G245 WeakPolarHBondContact OD1-CA 3.37Å; D243-G245 PolarHBondContact OD1-N 2.84Å
246	G	91.3	Very high	73.8	Confident	6 Å²	6	58.4 Å²	58.4	6%	0.062	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	5.5	178.9	0	0	0	0	0	115.5	V113 L150 D243 L248	V113-G246 WeakPolarHBondContact CG2-O 3.23Å; L150-G246 WeakPolarHBondContact CD1-O 2.66Å; D243-G246 PolarHBondContact O-N 2.03Å; D243-G246 PolarHBondContact OD1-N 2.94Å; G246-L248 PolarHBondContact O-N 3.06Å
247	V	93.8	Very high	71.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.3	176.8	-60.9	0	0	0	0	112.6	V113 L150 H151 V153 D243 F275 I277 L283	V113-V247 HydrophobicContact CG1-CG1 3.74Å; L150-V247 WeakPolarHBondContact CA-O 3.11Å; L150-V247 PolarHBondContact N-O 2.89Å; H151-V247 HydrophobicContact CB-CB 4.11Å; H151-V247 HydrophobicContact CB-CG1 3.93Å; H151-V247 PolarHBondContact N-O 2.82Å; V153-V247 HydrophobicContact CG1-CB 4.43Å; V153-V247 HydrophobicContact CG1-CG2 3.99Å; D243-V247 WeakPolarHBondContact O-CG2 3.49Å; D243-V247 PolarHBondContact O-N 3.48Å; V247-F275 HydrophobicContact CG2-CE2 3.93Å; V247-I277 HydrophobicContact CG1-CD1 4.05Å; V247-I277 HydrophobicContact CG1-CG1 4.42Å; V247-I277 HydrophobicContact CG2-CD1 4.38Å; V247-I277 HydrophobicContact CG2-CG1 4.23Å; V247-L283 HydrophobicContact CG1-CD2 3.91Å
248	L	91.6	Very high	70.1	Confident	3 Å²	3	59 Å²	59	2%	0.016	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.2	169.2	-61.8	179.6	0	0	0	110.1	F147 K148 V149 V153 D243 G246 F273 F275	F147-L248 HydrophobicContact CD2-CD2 4.06Å; F147-L248 HydrophobicContact CE2-CD2 4.37Å; K148-L248 CarbonylContact O-C 3.53Å; K148-L248 WeakPolarHBondContact O-CA 3.38Å; V149-L248 HydrophobicContact CB-CD2 4.45Å; V149-L248 HydrophobicContact CG2-CD2 3.9Å; V153-L248 HydrophobicContact CG1-CD2 4.3Å; V153-L248 HydrophobicContact CG2-CD2 4.06Å; D243-L248 WeakPolarHBondContact CB-O 3.4Å; D243-L248 PolarHBondContact O-N 3.13Å; G246-L248 PolarHBondContact O-N 3.06Å; L248-F273 HydrophobicContact CD1-CE2 4.01Å; L248-F273 HydrophobicContact CD1-CZ 3.87Å; L248-F275 HydrophobicContact CD1-CD1 3.99Å; L248-F275 HydrophobicContact CD1-CD2 4.35Å; L248-F275 HydrophobicContact CD1-CE1 3.61Å; L248-F275 HydrophobicContact CD1-CE2 4.01Å; L248-F275 HydrophobicContact CD1-CG 4.35Å; L248-F275 HydrophobicContact CD1-CZ 3.62Å; L248-F275 HydrophobicContact CG-CE2 4.36Å; L248-F275 HydrophobicContact CG-CZ 4.28Å
249	K	88.2	Confident	68.4	Low	95 Å²	95	60 Å²	60	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.5	167.2	-174.7	174.8	-169.5	169.4	0	107.9	E103 F147 K148 L150	E103-K249 IonicContact OE2-NZ 2.62Å; E103-K249 PolarHBondContact OE2-NZ 3.32Å; F147-K249 CarbonylContact C-O 3.57Å; F147-K249 WeakPolarHBondContact CA-O 3.4Å; K148-K249 HydrophobicContact CB-CB 4.32Å; K148-K249 PolarHBondContact N-O 2.86Å; K148-K249 PolarHBondContact O-N 3.15Å; L150-K249 HydrophobicContact CD1-CB 3.88Å; L150-K249 HydrophobicContact CD2-CB 4.48Å; L150-K249 HydrophobicContact CG-CB 4.07Å
250	I	81.4	Confident	66.3	Low	31 Å²	31	67 Å²	67	16%	0.159	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.5	179.1	-55.9	163.6	0	0	0	106.8	I126 L145 F147 L241 S252	I126-I250 HydrophobicContact CD1-CD1 3.7Å; I126-I250 HydrophobicContact CD1-CG1 4.23Å; I126-I250 HydrophobicContact CG1-CD1 3.88Å; L145-I250 HydrophobicContact CD1-CG2 3.59Å; L145-I250 HydrophobicContact CG-CG2 4.34Å; F147-I250 HydrophobicContact CB-CG1 4.44Å; L241-I250 HydrophobicContact CB-CD1 3.81Å; L241-I250 HydrophobicContact CD1-CD1 3.99Å; L241-I250 HydrophobicContact CD1-CG2 4.04Å; L241-I250 HydrophobicContact CD2-CD1 4.49Å; L241-I250 HydrophobicContact CG-CD1 4.33Å; I250-S252 PolarHBondContact O-N 3.04Å
251	S	67.5	Low	64.3	Low	52 Å²	52	69 Å²	69	36%	0.364	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.9	128.7	176.8	-63.9	0	0	0	0	108	D146 I253	D146-S251 PolarHBondContact O-N 3.32Å; D146-S251 VanDerWaalsContact O-N 3.16Å; S251-I253 PolarHBondContact O-N 3.42Å; S251-I253 VanDerWaalsContact O-N 3.17Å
252	S	52	Low	61.9	Low	100 Å²	100	71.2 Å²	71.2	70%	0.699	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-59	128.2	-179.4	66.6	0	0	0	0	108.8	I250 A254	I250-S252 PolarHBondContact O-N 3.04Å; S252-A254 PolarHBondContact O-N 2.92Å
253	I	50.6	Low	59.4	Low	44 Å²	44	71.3 Å²	71.3	23%	0.226	42%	0.419	C	S	.	.			trans	-75.7	38.1	171.1	-48.3	161.8	0	0	0	108.2	L145 S236 S251 E255 L269	L145-I253 HydrophobicContact CD1-CD1 3.93Å; L145-I253 HydrophobicContact CD1-CG1 4.27Å; S236-I253 WeakPolarHBondContact OG-CB 3.2Å; S251-I253 PolarHBondContact O-N 3.42Å; S251-I253 VanDerWaalsContact O-N 3.17Å; I253-E255 PolarHBondContact O-N 3.5Å; I253-L269 HydrophobicContact CD1-CD2 3.77Å; I253-L269 HydrophobicContact CD1-CG 4.14Å
254	A	36.3	Very low	57.4	Low	68 Å²	68	72 Å²	72	56%	0.562	42%	0.422	S	S	*	.			trans	-92.2	108	-176.7	0	0	0	0	0	108.4	S252	S252-A254 PolarHBondContact O-N 2.92Å
255	E	35.1	Very low	55.2	Low	172 Å²	172	74 Å²	74	80%	0.804	44%	0.442	S	S	*	.			trans	67.3	86.4	161.8	-60.7	-175.5	170.9	0	0	116.6	I253 V257	I253-E255 PolarHBondContact O-N 3.5Å; E255-V257 PolarHBondContact O-N 3.19Å
256	G	34.5	Very low	53	Low	64 Å²	64	77.6 Å²	77.6	66%	0.66	45%	0.451	S	S	*	.				54.2	17.3	109.2	0	0	0	0	0	119.7
257	V	34.7	Very low	51.3	Low	94 Å²	94	80.1 Å²	80.1	57%	0.57	47%	0.466	S	S	*	.			trans	-134	78.5	-179.5	-169.6	0	0	0	0	108.6	E255 A401	E255-V257 PolarHBondContact O-N 3.19Å; V257-A401 HydrophobicContact CG1-CB 3.86Å
258	L	35.4	Very low	50.1	Low	46 Å²	46	80.2 Å²	80.2	24%	0.241	47%	0.467	C	S	.	.				170.6	145.7	121.5	-91.1	167.1	0	0	0	115.9	A401 S402 P403	L258-A401 VanDerWaalsContact CD1-C 3.4Å; L258-A401 WeakPolarHBondContact CD1-O 2.9Å; L258-A401 WeakPolarHBondContact CD2-O 3.37Å; L258-A401 WeakPolarHBondContact CG-O 3.35Å; L258-S402 WeakPolarHBondContact CD1-O 3.48Å; L258-P403 HydrophobicContact CD1-CB 4.48Å; L258-P403 HydrophobicContact CD2-CB 4.16Å; L258-P403 HydrophobicContact CD2-CG 3.96Å
259	P	42.3	Very low	49.7	Very low	74 Å²	74	80.2 Å²	80.2	48%	0.481	47%	0.467	S	S	.	.			trans	-92.2	160.1	179.4	36.8	-28.5	0	0	0	113
260	H	33.5	Very low	49.7	Very low	164 Å²	164	75.9 Å²	75.9	76%	0.759	45%	0.448	S	S	*	.	S	Bend	trans	95.7	68.1	168.1	-50.1	-48.6	0	0	0	117.3
261	R	37.3	Very low	50.1	Low	214 Å²	214	74.4 Å²	74.4	81%	0.808	44%	0.441	S	S	*	.	S	Bend		-154.8	85.1	100.2	-95.6	179.7	-179.2	-160.6	0.4	107.5	L264	R261-L264 HydrophobicContact CB-CD1 4.47Å; R261-L264 WeakPolarHBondContact O-CD1 3.42Å
262	S	35.6	Very low	51.2	Low	104 Å²	104	72 Å²	72	73%	0.727	42%	0.424	S	S	*	.	S	Bend	trans	60.7	87.5	167.9	-50.9	0	0	0	0	116.1
263	A	36.5	Very low	53.2	Low	62 Å²	62	67.3 Å²	67.3	51%	0.512	39%	0.391	S	S	.	.	S	Bend	trans	59.6	41.7	170.4	0	0	0	0	0	117	V140	V140-A263 HydrophobicContact CB-CB 4.42Å; V140-A263 HydrophobicContact CG1-CB 4.04Å
264	L	48.7	Very low	55.2	Low	84 Å²	84	65.3 Å²	65.3	44%	0.44	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	118.7	164.2	-76.5	148.3	0	0	0	109.2	A144 R261	A144-L264 HydrophobicContact CB-CD2 3.68Å; R261-L264 HydrophobicContact CB-CD1 4.47Å; R261-L264 WeakPolarHBondContact O-CD1 3.42Å
265	G	42.6	Very low	58	Low	49 Å²	49	62 Å²	62	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	140.4	4.8	179.5	0	0	0	0	0	115.9
266	F	45.1	Very low	60.8	Low	104 Å²	104	55.6 Å²	55.6	46%	0.456	33%	0.327	S	S	.	.			trans	-78.6	127.8	165.8	-116	-91.5	0	0	0	109.3	V140 G268	V140-F266 HydrophobicContact CG1-CD2 4Å; V140-F266 HydrophobicContact CG1-CE2 4.3Å; F266-G268 PolarHBondContact O-N 3.32Å
267	P	55.2	Low	63.6	Low	59 Å²	59	53.2 Å²	53.2	38%	0.383	30%	0.298	S	S	.	.	S	Bend	trans	-69.8	81.1	170.9	30.3	-33.1	0	0	0	107.8	N235	N235-P267 WeakPolarHBondContact CA-O 3.32Å
268	G	67.9	Low	66.4	Low	2 Å²	2	54 Å²	54	2%	0.021	29%	0.292	C	S	.	.			trans	-162.2	131.8	-166.4	0	0	0	0	0	112.6	I143 V234 F266	I143-G268 WeakPolarHBondContact CG2-O 3.25Å; V234-G268 CarbonylContact O-C 3.59Å; V234-G268 WeakPolarHBondContact O-CA 3.5Å; F266-G268 PolarHBondContact O-N 3.32Å
269	L	84.3	Confident	69.1	Low	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-97.9	149.2	162.6	-61.8	164.6	0	0	0	107.9	V127 L145 F161 T233 V234 V239 L241 I253	V127-L269 HydrophobicContact CB-CD1 4.5Å; V127-L269 HydrophobicContact CG2-CD1 4.05Å; L145-L269 HydrophobicContact CB-CD2 4.35Å; L145-L269 HydrophobicContact CD1-CD2 3.81Å; L145-L269 HydrophobicContact CD2-CD2 3.9Å; L145-L269 HydrophobicContact CG-CD2 4.25Å; F161-L269 HydrophobicContact CE2-CB 3.81Å; F161-L269 WeakPolarHBondContact CE2-O 3.03Å; F161-L269 HydrophobicContact CZ-CB 4.13Å; T233-L269 CarbonylContact C-O 3.55Å; T233-L269 WeakPolarHBondContact CA-O 3.17Å; T233-L269 WeakPolarHBondContact CB-O 3Å; V234-L269 HydrophobicContact CG1-CB 4.14Å; V234-L269 HydrophobicContact CG1-CD1 4.42Å; V234-L269 PolarHBondContact N-O 3.43Å; V234-L269 PolarHBondContact O-N 2.95Å; V239-L269 HydrophobicContact CG2-CD1 3.87Å; L241-L269 HydrophobicContact CD2-CD1 3.73Å; I253-L269 HydrophobicContact CD1-CD2 3.77Å; I253-L269 HydrophobicContact CD1-CG 4.14Å
270	A	87.1	Confident	71.4	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.025	29%	0.29	C	S	.	.	S	Bend	trans	-110.4	6.1	174.3	0	0	0	0	0	113.5	I143 F161 W223 L231 T232 T233	I143-A270 HydrophobicContact CB-CB 4.2Å; I143-A270 HydrophobicContact CD1-CB 4.09Å; I143-A270 HydrophobicContact CG2-CB 4.38Å; F161-A270 PolarHBondContact N-O 2.94Å; W223-A270 HydrophobicContact CB-CB 3.75Å; W223-A270 HydrophobicContact CD2-CB 3.9Å; W223-A270 HydrophobicContact CE3-CB 4.24Å; W223-A270 HydrophobicContact CG-CB 3.67Å; L231-A270 HydrophobicContact CB-CB 4.43Å; L231-A270 HydrophobicContact CD1-CB 4.29Å; T232-A270 WeakPolarHBondContact O-CA 3.47Å; T233-A270 HydrophobicContact CG2-CB 4.3Å
271	G	90.2	Very high	74.1	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-148.8	179.9	0	0	0	0	0	109.8	G159 F161 W223	G159-G271 WeakPolarHBondContact O-CA 3.46Å; F161-G271 VanDerWaalsContact CD2-N 3.3Å; F161-G271 WeakPolarHBondContact CZ-O 3.48Å; W223-G271 VanDerWaalsContact CZ2-C 3.43Å
272	G	90.6	Very high	76.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-170.8	176.8	0	0	0	0	0	111.9	G159	G159-G272 WeakPolarHBondContact CA-O 3.17Å; G159-G272 PolarHBondContact N-O 3.36Å; G159-G272 PolarHBondContact O-N 2.79Å
273	F	93.2	Very high	79.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.3	167.5	63.8	-90.2	0	0	0	109.3	I126 F147 I155 R157 L158 L221 L248 F275	I126-F273 HydrophobicContact CB-CD1 4.36Å; I126-F273 HydrophobicContact CB-CE1 4.32Å; I126-F273 HydrophobicContact CB-CZ 4.47Å; I126-F273 HydrophobicContact CD1-CD1 3.96Å; I126-F273 HydrophobicContact CD1-CE1 3.2Å; I126-F273 HydrophobicContact CD1-CE2 4.35Å; I126-F273 HydrophobicContact CD1-CZ 3.46Å; I126-F273 VanDerWaalsContact CD1-CZ 3.46Å; I126-F273 HydrophobicContact CG1-CE1 4.32Å; I126-F273 HydrophobicContact CG1-CZ 4.46Å; I126-F273 HydrophobicContact CG2-CD1 3.9Å; I126-F273 HydrophobicContact CG2-CE1 4.26Å; I126-F273 HydrophobicContact CG2-CG 4.26Å; I126-F273 VanDerWaalsContact CG2-N 3.28Å; I126-F273 VanDerWaalsContact CG2-O 3.31Å; I126-F273 WeakPolarHBondContact CG2-O 3.32Å; I126-F273 PolarHBondContact N-O 3.33Å; I126-F273 VanDerWaalsContact N-O 3.08Å; F147-F273 HydrophobicContact CD1-CE1 4.36Å; F147-F273 HydrophobicContact CE1-CE1 4.23Å; F147-F273 HydrophobicContact CE1-CZ 4.35Å; F147-F273 HydrophobicContact CE2-CZ 4.4Å; F147-F273 HydrophobicContact CZ-CZ 4.28Å; I155-F273 HydrophobicContact CD1-CD2 3.37Å; I155-F273 HydrophobicContact CD1-CE2 3.28Å; I155-F273 HydrophobicContact CD1-CG 4.29Å; I155-F273 HydrophobicContact CD1-CZ 4.12Å; I155-F273 HydrophobicContact CG2-CB 4.43Å; I155-F273 HydrophobicContact CG2-CD2 4.42Å; R157-F273 CarbonylContact O-C 3.57Å; R157-F273 WeakPolarHBondContact O-CA 3.34Å; R157-F273 VanDerWaalsContact O-CB 3.31Å; R157-F273 WeakPolarHBondContact O-CB 3.22Å; L158-F273 HydrophobicContact CD2-CB 3.79Å; L221-F273 HydrophobicContact CD2-CB 4.3Å; L221-F273 HydrophobicContact CD2-CD1 3.59Å; L221-F273 HydrophobicContact CD2-CE1 4.36Å; L221-F273 HydrophobicContact CD2-CG 4.4Å; L248-F273 HydrophobicContact CD1-CE2 4.01Å; L248-F273 HydrophobicContact CD1-CZ 3.87Å; F273-F275 HydrophobicContact CD2-CB 4.25Å; F273-F275 AromaticContact CD2-CD1 3.98Å; F273-F275 HydrophobicContact CD2-CD1 3.98Å; F273-F275 HydrophobicContact CE2-CB 4.15Å; F273-F275 AromaticContact CE2-CD1 3.6Å; F273-F275 HydrophobicContact CE2-CD1 3.6Å; F273-F275 HydrophobicContact CE2-CE1 4.35Å; F273-F275 HydrophobicContact CE2-CG 4.13Å
274	T	94.1	Very high	82.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.5	170.8	50.9	0	0	0	0	110	E123 M124 E125 T156 R157 Y205	E123-T274 VanDerWaalsContact CG-CB 3.48Å; E123-T274 HydrophobicContact CG-CG2 3.96Å; E123-T274 PolarHBondContact OE1-OG1 2.68Å; M124-T274 CarbonylContact O-C 3.6Å; M124-T274 WeakPolarHBondContact O-CA 3.44Å; M124-T274 WeakPolarHBondContact O-CB 3.45Å; E125-T274 HydrophobicContact CB-CG2 4.47Å; E125-T274 HydrophobicContact CG-CG2 3.8Å; T156-T274 PolarHBondContact N-O 3.33Å; T156-T274 VanDerWaalsContact OG1-C 3.31Å; T156-T274 WeakPolarHBondContact OG1-CB 3.3Å; T156-T274 PolarHBondContact OG1-O 3.31Å; T156-T274 PolarHBondContact OG1-OG1 3.08Å; R157-T274 WeakPolarHBondContact CB-OG1 3.39Å; R157-T274 WeakPolarHBondContact CD-OG1 3.24Å; R157-T274 WeakPolarHBondContact CG-OG1 3.44Å; R157-T274 PolarHBondContact N-OG1 3.37Å; R157-T274 PolarHBondContact O-N 3.47Å; R157-T274 PolarHBondContact O-OG1 2.78Å; Y205-T274 HydrophobicContact CD1-CG2 4.21Å; Y205-T274 HydrophobicContact CE1-CG2 3.82Å; Y205-T274 HydrophobicContact CE2-CG2 4.43Å
275	F	94.1	Very high	84.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.1	-177.8	67.8	-83	0	0	0	112.1	M124 V153 V154 I155 V247 L248 F273	M124-F275 HydrophobicContact CB-CD1 4.32Å; M124-F275 HydrophobicContact CB-CE1 3.97Å; M124-F275 HydrophobicContact CB-CE2 4.27Å; M124-F275 HydrophobicContact CB-CZ 3.95Å; M124-F275 PolarHBondContact N-O 3.14Å; M124-F275 PolarHBondContact O-N 3.38Å; M124-F275 HydrophobicContact SD-CE2 3.9Å; M124-F275 HydrophobicContact SD-CZ 4.07Å; V153-F275 HydrophobicContact CB-CD2 4.13Å; V153-F275 HydrophobicContact CG1-CD2 3.9Å; V153-F275 HydrophobicContact CG1-CE2 4.28Å; V154-F275 CarbonylContact O-C 3.58Å; V154-F275 WeakPolarHBondContact O-CA 3.47Å; V154-F275 WeakPolarHBondContact O-CB 3.32Å; I155-F275 HydrophobicContact CD1-CB 4.11Å; V247-F275 HydrophobicContact CG2-CE2 3.93Å; L248-F275 HydrophobicContact CD1-CD1 3.99Å; L248-F275 HydrophobicContact CD1-CD2 4.35Å; L248-F275 HydrophobicContact CD1-CE1 3.61Å; L248-F275 HydrophobicContact CD1-CE2 4.01Å; L248-F275 HydrophobicContact CD1-CG 4.35Å; L248-F275 HydrophobicContact CD1-CZ 3.62Å; L248-F275 HydrophobicContact CG-CE2 4.36Å; L248-F275 HydrophobicContact CG-CZ 4.28Å; F273-F275 HydrophobicContact CD2-CB 4.25Å; F273-F275 AromaticContact CD2-CD1 3.98Å; F273-F275 HydrophobicContact CD2-CD1 3.98Å; F273-F275 HydrophobicContact CE2-CB 4.15Å; F273-F275 AromaticContact CE2-CD1 3.6Å; F273-F275 HydrophobicContact CE2-CD1 3.6Å; F273-F275 HydrophobicContact CE2-CE1 4.35Å; F273-F275 HydrophobicContact CE2-CG 4.13Å
276	T	94	Very high	86.8	Confident	37 Å²	37	35.1 Å²	35.1	23%	0.227	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.4	170.7	51.8	0	0	0	0	109.5	V153 V154 T156	V153-T276 CarbonylContact C-O 3.6Å; V153-T276 VanDerWaalsContact CA-O 3.28Å; V153-T276 WeakPolarHBondContact CA-O 3.45Å; V153-T276 WeakPolarHBondContact CB-O 3.46Å; V154-T276 PolarHBondContact N-O 2.75Å; V154-T276 PolarHBondContact O-N 3.43Å; T156-T276 HydrophobicContact CG2-CG2 4.2Å
277	I	93.5	Very high	89.1	Confident	13 Å²	13	31.3 Å²	31.3	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.7	175	-62.5	178.7	0	0	0	107.8	P116 M124 V247 E280 L283	P116-I277 HydrophobicContact CB-CD1 4.45Å; M124-I277 HydrophobicContact CE-CD1 3.63Å; M124-I277 HydrophobicContact CE-CG1 3.82Å; M124-I277 HydrophobicContact SD-CD1 4.49Å; V247-I277 HydrophobicContact CG1-CD1 4.05Å; V247-I277 HydrophobicContact CG1-CG1 4.42Å; V247-I277 HydrophobicContact CG2-CD1 4.38Å; V247-I277 HydrophobicContact CG2-CG1 4.23Å; I277-E280 HydrophobicContact CB-CG 3.92Å; I277-E280 HydrophobicContact CG2-CG 3.87Å; I277-L283 HydrophobicContact CG2-CD2 4.11Å
278	Y	93.1	Very high	91.1	Very high	111 Å²	111	37 Å²	37	44%	0.435	20%	0.196	S	C	.	.	S	Bend	trans	-83.8	134.3	174.4	-177.1	-96.1	0	0	0	109.6	H151 P152 V154 I212	H151-Y278 PolarHBondContact NE2-O 3.16Å; P152-Y278 HydrophobicContact CB-CD1 4.05Å; P152-Y278 HydrophobicContact CB-CG 4.47Å; P152-Y278 WeakPolarHBondContact O-CB 3.41Å; P152-Y278 PolarHBondContact O-N 2.96Å; V154-Y278 HydrophobicContact CG2-CD2 4.13Å; I212-Y278 HydrophobicContact CD1-CD2 3.82Å; I212-Y278 HydrophobicContact CD1-CE1 4.21Å; I212-Y278 HydrophobicContact CD1-CE2 3.36Å; I212-Y278 HydrophobicContact CD1-CG 4.41Å; I212-Y278 HydrophobicContact CG1-CD2 3.86Å; I212-Y278 HydrophobicContact CG1-CE2 3.94Å; I212-Y278 HydrophobicContact CG1-CG 4.34Å; I212-Y278 HydrophobicContact CG2-CD1 4.13Å; I212-Y278 HydrophobicContact CG2-CD2 4.43Å; I212-Y278 HydrophobicContact CG2-CG 4.06Å
279	D	92.4	Very high	92.4	Very high	91 Å²	91	38.1 Å²	38.1	49%	0.487	21%	0.207	S	C	.	.			trans	57	60.8	178.8	-171.7	22.4	0	0	0	113.4	D281 G282 L283	D279-D281 VanDerWaalsContact C-N 3.28Å; D279-D281 PolarHBondContact O-N 3.26Å; D279-G282 PolarHBondContact O-N 3.07Å; D279-G282 VanDerWaalsContact O-N 3.16Å; D279-G282 WeakPolarHBondContact OD1-CA 3.47Å; D279-G282 PolarHBondContact OD1-N 3.04Å; D279-L283 PolarHBondContact O-N 2.78Å
280	E	90.9	Very high	93	Very high	42 Å²	42	39.8 Å²	39.8	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-36.1	177.4	-66.7	-169.2	172.4	0	0	113.2	P116 I277 L283 S284	P116-E280 HydrophobicContact CB-CG 4.42Å; P116-E280 HydrophobicContact CG-CB 4.15Å; P116-E280 HydrophobicContact CG-CG 4.41Å; I277-E280 HydrophobicContact CB-CG 3.92Å; I277-E280 HydrophobicContact CG2-CG 3.87Å; E280-L283 PolarHBondContact O-N 2.94Å; E280-S284 WeakPolarHBondContact O-CB 2.96Å; E280-S284 PolarHBondContact O-N 3.37Å; E280-S284 PolarHBondContact O-OG 3.45Å
281	D	90.8	Very high	93.5	Very high	142 Å²	142	43.2 Å²	43.2	76%	0.759	24%	0.241	S	C	*	.	H	α-helix	trans	-64	-42.9	174.9	-76.2	-32.2	0	0	0	110.7	D279 S284 G285	D279-D281 VanDerWaalsContact C-N 3.28Å; D279-D281 PolarHBondContact O-N 3.26Å; D281-S284 PolarHBondContact O-N 2.65Å; D281-G285 PolarHBondContact O-N 3.4Å
282	G	92	Very high	93.8	Very high	29 Å²	29	46.3 Å²	46.3	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-44.3	173	0	0	0	0	0	112.8	D279 G285 L286	D279-G282 PolarHBondContact O-N 3.07Å; D279-G282 VanDerWaalsContact O-N 3.16Å; D279-G282 WeakPolarHBondContact OD1-CA 3.47Å; D279-G282 PolarHBondContact OD1-N 3.04Å; G282-G285 PolarHBondContact O-N 3.41Å; G282-L286 WeakPolarHBondContact O-CB 3.37Å; G282-L286 PolarHBondContact O-N 3.37Å
283	L	92.7	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-47.4	174.7	-178	53	0	0	0	111.6	V113 P116 H151 V247 I277 D279 E280 G285 L286 L287	V113-L283 HydrophobicContact CG1-CD1 3.92Å; V113-L283 HydrophobicContact CG1-CD2 3.92Å; V113-L283 HydrophobicContact CG1-CG 4.41Å; P116-L283 HydrophobicContact CG-CD2 4.09Å; P116-L283 HydrophobicContact CG-CG 4.48Å; H151-L283 HydrophobicContact CB-CD1 4.42Å; V247-L283 HydrophobicContact CG1-CD2 3.91Å; I277-L283 HydrophobicContact CG2-CD2 4.11Å; D279-L283 PolarHBondContact O-N 2.78Å; E280-L283 PolarHBondContact O-N 2.94Å; L283-G285 VanDerWaalsContact C-N 3.34Å; L283-G285 PolarHBondContact O-N 3.19Å; L283-L286 HydrophobicContact CD1-CD2 4.46Å; L283-L286 WeakPolarHBondContact O-CB 3.31Å; L283-L286 PolarHBondContact O-N 2.95Å; L283-L287 HydrophobicContact CD1-CD1 4.2Å; L283-L287 HydrophobicContact CD1-CG 4.16Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 2.92Å
284	S	93.1	Very high	94.4	Very high	14 Å²	14	52.1 Å²	52.1	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-43.4	178.4	-60.2	0	0	0	0	111.4	E280 D281 L287 R288	E280-S284 WeakPolarHBondContact O-CB 2.96Å; E280-S284 PolarHBondContact O-N 3.37Å; E280-S284 PolarHBondContact O-OG 3.45Å; D281-S284 PolarHBondContact O-N 2.65Å; S284-L287 PolarHBondContact O-N 3.24Å; S284-R288 WeakPolarHBondContact O-CB 3.42Å; S284-R288 VanDerWaalsContact O-CG 3.29Å; S284-R288 WeakPolarHBondContact O-CG 3.11Å; S284-R288 PolarHBondContact O-N 2.84Å
285	G	94.1	Very high	94.6	Very high	43 Å²	43	58.9 Å²	58.9	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-41.2	174	0	0	0	0	0	112.6	D281 G282 L283 G289	D281-G285 PolarHBondContact O-N 3.4Å; G282-G285 PolarHBondContact O-N 3.41Å; L283-G285 VanDerWaalsContact C-N 3.34Å; L283-G285 PolarHBondContact O-N 3.19Å; G285-G289 PolarHBondContact O-N 2.84Å
286	L	93.8	Very high	94.8	Very high	39 Å²	39	66.8 Å²	66.8	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-58.3	-54.3	173.5	-176.3	76.2	0	0	0	109.9	E100 L111 G282 L283 R288 G289 R290 R293	E100-L286 HydrophobicContact CB-CD1 4.31Å; L111-L286 HydrophobicContact CD2-CD2 4.25Å; G282-L286 WeakPolarHBondContact O-CB 3.37Å; G282-L286 PolarHBondContact O-N 3.37Å; L283-L286 HydrophobicContact CD1-CD2 4.46Å; L283-L286 WeakPolarHBondContact O-CB 3.31Å; L283-L286 PolarHBondContact O-N 2.95Å; L286-R288 PolarHBondContact O-N 2.87Å; L286-G289 PolarHBondContact O-N 2.9Å; L286-R290 PolarHBondContact O-N 2.94Å; L286-R293 VanDerWaalsContact O-CZ 3.28Å; L286-R293 PolarHBondContact O-NH1 3.38Å; L286-R293 PolarHBondContact O-NH2 3.04Å
287	L	95	Very high	95	Very high	24 Å²	24	67.2 Å²	67.2	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-45.6	-177	-66	175.4	0	0	0	112.3	S114 E115 L283 S284 G289 R290	S114-L287 WeakPolarHBondContact O-CD1 3.49Å; E115-L287 HydrophobicContact CB-CD1 4.35Å; E115-L287 HydrophobicContact CG-CB 4.34Å; E115-L287 HydrophobicContact CG-CD1 3.81Å; L283-L287 HydrophobicContact CD1-CD1 4.2Å; L283-L287 HydrophobicContact CD1-CG 4.16Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 2.92Å; S284-L287 PolarHBondContact O-N 3.24Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.21Å; L287-R290 VanDerWaalsContact O-CB 3.24Å; L287-R290 WeakPolarHBondContact O-CB 3.34Å; L287-R290 PolarHBondContact O-N 3.33Å
288	R	95.4	Very high	95.2	Very high	180 Å²	180	68.2 Å²	68.2	68%	0.679	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-37.5	176.2	-69.5	176.6	-169.2	171.8	7.7	112.8	E115 S284 L286 R290	E115-R288 WeakPolarHBondContact OE1-CG 3.32Å; E115-R288 IonicContact OE1-NE 3.46Å; E115-R288 PolarHBondContact OE1-NE 2.88Å; S284-R288 WeakPolarHBondContact O-CB 3.42Å; S284-R288 VanDerWaalsContact O-CG 3.29Å; S284-R288 WeakPolarHBondContact O-CG 3.11Å; S284-R288 PolarHBondContact O-N 2.84Å; L286-R288 PolarHBondContact O-N 2.87Å; R288-R290 VanDerWaalsContact C-N 3.27Å; R288-R290 PolarHBondContact O-N 3.18Å
289	G	96.4	Very high	95.4	Very high	24 Å²	24	65.4 Å²	65.4	25%	0.247	36%	0.364	C	S	.	.	H	α-helix	trans	-76	-9.4	179.7	0	0	0	0	0	114.8	G285 L286 L287 A291 A292 R293	G285-G289 PolarHBondContact O-N 2.84Å; L286-G289 PolarHBondContact O-N 2.9Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.21Å; G289-A291 PolarHBondContact O-N 2.85Å; G289-A292 PolarHBondContact O-N 2.76Å; G289-R293 PolarHBondContact O-N 2.94Å; G289-R293 VanDerWaalsContact O-N 3.08Å
290	R	96.8	Very high	95.7	Very high	39 Å²	39	62.4 Å²	62.4	15%	0.147	36%	0.355	C	S	.	.	H	α-helix	trans	-55.9	-48.8	-172.6	179.6	175.7	-71.1	177.8	-4.3	112.9	D101 L111 L286 L287 R288 A292 R293 M294	D101-R290 WeakPolarHBondContact OD1-CG 3.22Å; D101-R290 IonicContact OD1-CZ 3.26Å; D101-R290 IonicContact OD1-NE 2.66Å; D101-R290 PolarHBondContact OD1-NE 2.78Å; D101-R290 IonicContact OD1-NH2 2.65Å; L111-R290 PolarHBondContact O-NH1 3.41Å; L111-R290 PolarHBondContact O-NH2 2.66Å; L286-R290 PolarHBondContact O-N 2.94Å; L287-R290 VanDerWaalsContact O-CB 3.24Å; L287-R290 WeakPolarHBondContact O-CB 3.34Å; L287-R290 PolarHBondContact O-N 3.33Å; R288-R290 VanDerWaalsContact C-N 3.27Å; R288-R290 PolarHBondContact O-N 3.18Å; R290-A292 VanDerWaalsContact C-N 3.33Å; R290-A292 PolarHBondContact O-N 2.79Å; R290-R293 PolarHBondContact O-N 3.4Å; R290-R293 VanDerWaalsContact O-N 3.15Å; R290-M294 HydrophobicContact CG-CG 4.19Å; R290-M294 HydrophobicContact CG-SD 4.02Å; R290-M294 WeakPolarHBondContact O-CG 3.43Å; R290-M294 PolarHBondContact O-N 3.15Å
291	A	97.1	Very high	96	Very high	75 Å²	75	61.7 Å²	61.7	62%	0.62	35%	0.352	S	S	*	.	H	α-helix	trans	-57.8	-45.4	-177.3	0	0	0	0	0	112.3	G289 M294 E295	G289-A291 PolarHBondContact O-N 2.85Å; A291-M294 PolarHBondContact O-N 3.22Å; A291-E295 PolarHBondContact O-N 2.81Å; A291-E295 VanDerWaalsContact O-N 3.08Å
292	A	97.9	Very high	96.3	Very high	65 Å²	65	62 Å²	62	54%	0.537	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-39.3	177.9	0	0	0	0	0	112.3	G289 R290 E295 K296	G289-A292 PolarHBondContact O-N 2.76Å; R290-A292 VanDerWaalsContact C-N 3.33Å; R290-A292 PolarHBondContact O-N 2.79Å; A292-E295 PolarHBondContact O-N 3.24Å; A292-K296 WeakPolarHBondContact O-CB 3.45Å; A292-K296 PolarHBondContact O-N 3.02Å
293	R	97.5	Very high	96.6	Very high	55 Å²	55	69.5 Å²	69.5	21%	0.208	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-42.1	174.6	-72.4	-166.2	-57.3	-81.8	-4	111.9	P98 D101 L286 G289 R290 E295 K296 H297	P98-R293 HydrophobicContact CG-CB 4.22Å; D101-R293 IonicContact OD1-CZ 2.63Å; D101-R293 IonicContact OD1-NH2 3.63Å; D101-R293 PolarHBondContact OD1-NH2 3.49Å; D101-R293 IonicContact OD2-CZ 2.76Å; D101-R293 VanDerWaalsContact OD2-CZ 3.31Å; D101-R293 IonicContact OD2-NE 3.32Å; D101-R293 PolarHBondContact OD2-NE 3.25Å; D101-R293 IonicContact OD2-NH2 3.53Å; D101-R293 PolarHBondContact OD2-NH2 2.83Å; L286-R293 VanDerWaalsContact O-CZ 3.28Å; L286-R293 PolarHBondContact O-NH1 3.38Å; L286-R293 PolarHBondContact O-NH2 3.04Å; G289-R293 PolarHBondContact O-N 2.94Å; G289-R293 VanDerWaalsContact O-N 3.08Å; R290-R293 PolarHBondContact O-N 3.4Å; R290-R293 VanDerWaalsContact O-N 3.15Å; R293-E295 VanDerWaalsContact C-N 3.35Å; R293-E295 PolarHBondContact O-N 2.79Å; R293-K296 PolarHBondContact O-N 3.37Å; R293-H297 VanDerWaalsContact O-CB 3.23Å; R293-H297 WeakPolarHBondContact O-CB 3.31Å; R293-H297 PolarHBondContact O-N 3.02Å
294	M	97.8	Very high	96.9	Very high	69 Å²	69	71.4 Å²	71.4	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-42.7	176.3	-69.4	-173.4	87.3	0	0	111.8	P98 R290 A291 H297 A298	P98-M294 HydrophobicContact CG-CG 4.44Å; R290-M294 HydrophobicContact CG-CG 4.19Å; R290-M294 HydrophobicContact CG-SD 4.02Å; R290-M294 WeakPolarHBondContact O-CG 3.43Å; R290-M294 PolarHBondContact O-N 3.15Å; A291-M294 PolarHBondContact O-N 3.22Å; M294-H297 PolarHBondContact O-N 3.31Å; M294-A298 WeakPolarHBondContact O-CB 3.32Å; M294-A298 PolarHBondContact O-N 3.16Å
295	E	97.9	Very high	97.1	Very high	144 Å²	144	74 Å²	74	67%	0.673	38%	0.384	S	S	*	.	H	α-helix	trans	-64.9	-44.6	176.9	-176.2	176.8	-164	0	0	112.5	A291 A292 R293 H297 A298 S299	A291-E295 PolarHBondContact O-N 2.81Å; A291-E295 VanDerWaalsContact O-N 3.08Å; A292-E295 PolarHBondContact O-N 3.24Å; R293-E295 VanDerWaalsContact C-N 3.35Å; R293-E295 PolarHBondContact O-N 2.79Å; E295-H297 VanDerWaalsContact C-N 3.34Å; E295-H297 PolarHBondContact O-N 3.25Å; E295-A298 PolarHBondContact O-N 3.38Å; E295-S299 PolarHBondContact O-N 2.86Å; E295-S299 VanDerWaalsContact O-N 3.08Å; E295-S299 PolarHBondContact O-OG 3.46Å
296	K	98.2	Very high	97.3	Very high	166 Å²	166	74.9 Å²	74.9	72%	0.722	39%	0.387	S	S	*	.	H	α-helix	trans	-60.7	-45.2	175.2	-178.2	-178.3	175.7	-172.3	0	111.1	A292 R293 S299 G300	A292-K296 WeakPolarHBondContact O-CB 3.45Å; A292-K296 PolarHBondContact O-N 3.02Å; R293-K296 PolarHBondContact O-N 3.37Å; K296-S299 WeakPolarHBondContact O-CB 3.36Å; K296-S299 PolarHBondContact O-N 2.94Å; K296-G300 PolarHBondContact O-N 3.18Å
297	H	97.9	Very high	97.4	Very high	46 Å²	46	75.9 Å²	75.9	21%	0.213	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-45.4	179	-176.1	68.8	0	0	0	112	C95 P96 P98 R293 M294 E295 S299 G300 L301	C95-H297 PolarHBondContact O-NE2 3.47Å; P96-H297 PolarHBondContact O-CD2 3.39Å; P98-H297 HydrophobicContact CB-CB 4.33Å; P98-H297 HydrophobicContact CG-CB 3.73Å; R293-H297 VanDerWaalsContact O-CB 3.23Å; R293-H297 WeakPolarHBondContact O-CB 3.31Å; R293-H297 PolarHBondContact O-N 3.02Å; M294-H297 PolarHBondContact O-N 3.31Å; E295-H297 VanDerWaalsContact C-N 3.34Å; E295-H297 PolarHBondContact O-N 3.25Å; H297-S299 PolarHBondContact O-N 3.13Å; H297-G300 CarbonylContact O-C 3.54Å; H297-G300 WeakPolarHBondContact O-CA 3.48Å; H297-G300 PolarHBondContact O-N 3.09Å; H297-L301 PolarHBondContact O-N 3.42Å
298	A	98.3	Very high	97.6	Very high	35 Å²	35	74.8 Å²	74.8	29%	0.289	39%	0.389	S	S	.	.	H	α-helix	trans	-57.7	-36.2	174.5	0	0	0	0	0	112.1	M294 E295 R302	M294-A298 WeakPolarHBondContact O-CB 3.32Å; M294-A298 PolarHBondContact O-N 3.16Å; E295-A298 PolarHBondContact O-N 3.38Å; A298-R302 WeakPolarHBondContact O-CG 3.39Å; A298-R302 PolarHBondContact O-N 2.86Å; A298-R302 PolarHBondContact O-NH1 2.94Å
299	S	98.1	Very high	97.7	Very high	51 Å²	51	70.7 Å²	70.7	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-37.9	173.6	-53.9	0	0	0	0	112.5	E295 K296 H297 R302 R303	E295-S299 PolarHBondContact O-N 2.86Å; E295-S299 VanDerWaalsContact O-N 3.08Å; E295-S299 PolarHBondContact O-OG 3.46Å; K296-S299 WeakPolarHBondContact O-CB 3.36Å; K296-S299 PolarHBondContact O-N 2.94Å; H297-S299 PolarHBondContact O-N 3.13Å; S299-R302 PolarHBondContact OG-NH2 2.81Å; S299-R303 PolarHBondContact O-N 3.43Å
300	G	98	Very high	97.8	Very high	29 Å²	29	76 Å²	76	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-46.7	172	0	0	0	0	0	112.7	K296 H297 R302 R303 E304	K296-G300 PolarHBondContact O-N 3.18Å; H297-G300 CarbonylContact O-C 3.54Å; H297-G300 WeakPolarHBondContact O-CA 3.48Å; H297-G300 PolarHBondContact O-N 3.09Å; G300-R302 PolarHBondContact O-N 3.39Å; G300-R303 WeakPolarHBondContact O-CB 3.48Å; G300-R303 PolarHBondContact O-N 2.99Å; G300-R303 VanDerWaalsContact O-N 3.11Å; G300-E304 PolarHBondContact O-N 2.55Å
301	L	97.8	Very high	97.8	Very high	27 Å²	27	75 Å²	75	14%	0.141	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-43.8	177.5	-70.6	179.1	0	0	0	112.1	C95 H297 R303 E304 D305	C95-L301 WeakPolarHBondContact O-CD1 3.21Å; H297-L301 PolarHBondContact O-N 3.42Å; L301-R303 PolarHBondContact O-N 3.29Å; L301-E304 WeakPolarHBondContact O-CB 3.25Å; L301-E304 PolarHBondContact O-N 2.8Å; L301-E304 VanDerWaalsContact O-N 3.14Å; L301-D305 PolarHBondContact O-N 2.88Å
302	R	97.9	Very high	97.9	Very high	149 Å²	149	72.4 Å²	72.4	56%	0.562	37%	0.37	S	S	*	.	H	α-helix	trans	-59.8	-34.9	176.3	-72.4	-171.2	-61.5	-86.9	6.5	113.1	A298 S299 G300 A306	A298-R302 WeakPolarHBondContact O-CG 3.39Å; A298-R302 PolarHBondContact O-N 2.86Å; A298-R302 PolarHBondContact O-NH1 2.94Å; S299-R302 PolarHBondContact OG-NH2 2.81Å; G300-R302 PolarHBondContact O-N 3.39Å; R302-A306 PolarHBondContact O-N 3.42Å; R302-A306 VanDerWaalsContact O-N 3.15Å
303	R	97.7	Very high	97.9	Very high	186 Å²	186	75.7 Å²	75.7	70%	0.702	38%	0.378	S	S	*	.	H	α-helix	trans	-73.8	-39.6	176.4	-177.3	174.2	61.9	-171.4	0.1	111.6	S299 G300 L301 A306 T307	S299-R303 PolarHBondContact O-N 3.43Å; G300-R303 WeakPolarHBondContact O-CB 3.48Å; G300-R303 PolarHBondContact O-N 2.99Å; G300-R303 VanDerWaalsContact O-N 3.11Å; L301-R303 PolarHBondContact O-N 3.29Å; R303-A306 PolarHBondContact O-N 2.98Å; R303-T307 PolarHBondContact O-N 3.41Å; R303-T307 PolarHBondContact O-OG1 3.38Å
304	E	97.8	Very high	97.9	Very high	39 Å²	39	82.4 Å²	82.4	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-60.5	-46.3	172.7	-171.2	-169	-132.3	0	0	110.7	R57 H58 G300 L301 A306 T307 L308	R57-E304 HydrophobicContact CB-CG 4.45Å; R57-E304 VanDerWaalsContact CB-OE1 3.28Å; R57-E304 WeakPolarHBondContact CB-OE1 3.48Å; R57-E304 IonicContact CZ-OE2 2.85Å; R57-E304 IonicContact NE-OE2 2.88Å; R57-E304 PolarHBondContact NE-OE2 3.26Å; R57-E304 IonicContact NH2-OE2 2.83Å; R57-E304 PolarHBondContact NH2-OE2 3.09Å; R57-E304 VanDerWaalsContact NH2-OE2 3.14Å; H58-E304 PolarHBondContact N-OE1 2.87Å; G300-E304 PolarHBondContact O-N 2.55Å; L301-E304 WeakPolarHBondContact O-CB 3.25Å; L301-E304 PolarHBondContact O-N 2.8Å; L301-E304 VanDerWaalsContact O-N 3.14Å; E304-A306 VanDerWaalsContact C-N 3.35Å; E304-A306 PolarHBondContact O-N 3.34Å; E304-T307 PolarHBondContact O-N 3.18Å; E304-L308 HydrophobicContact CG-CD1 4.18Å; E304-L308 WeakPolarHBondContact O-CB 2.88Å; E304-L308 PolarHBondContact O-N 2.94Å
305	D	97.9	Very high	97.8	Very high	69 Å²	69	82.2 Å²	82.2	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-54.5	-48.2	174.8	-76.4	-41.4	0	0	0	111.8	R57 L301 T307 L308 Q309	R57-D305 IonicContact CZ-OD1 3.37Å; R57-D305 IonicContact NH1-OD1 3.31Å; R57-D305 IonicContact NH2-OD1 3.27Å; R57-D305 PolarHBondContact NH2-OD1 3.18Å; L301-D305 PolarHBondContact O-N 2.88Å; D305-T307 VanDerWaalsContact C-N 3.35Å; D305-T307 PolarHBondContact O-N 3.47Å; D305-L308 PolarHBondContact O-N 3.45Å; D305-Q309 VanDerWaalsContact O-CB 3.32Å; D305-Q309 WeakPolarHBondContact O-CB 3.37Å; D305-Q309 PolarHBondContact O-N 3.29Å
306	A	97.8	Very high	97.8	Very high	61 Å²	61	77.6 Å²	77.6	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-42.4	179.1	0	0	0	0	0	112	R302 R303 E304 Q309 E310	R302-A306 PolarHBondContact O-N 3.42Å; R302-A306 VanDerWaalsContact O-N 3.15Å; R303-A306 PolarHBondContact O-N 2.98Å; E304-A306 VanDerWaalsContact C-N 3.35Å; E304-A306 PolarHBondContact O-N 3.34Å; A306-Q309 PolarHBondContact O-N 3.05Å; A306-E310 PolarHBondContact O-N 3.3Å
307	T	97.3	Very high	97.7	Very high	60 Å²	60	70.5 Å²	70.5	37%	0.368	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-43.7	179.2	-52	0	0	0	0	111.1	R303 E304 D305 E310 E311	R303-T307 PolarHBondContact O-N 3.41Å; R303-T307 PolarHBondContact O-OG1 3.38Å; E304-T307 PolarHBondContact O-N 3.18Å; D305-T307 VanDerWaalsContact C-N 3.35Å; D305-T307 PolarHBondContact O-N 3.47Å; T307-E310 PolarHBondContact O-N 2.99Å; T307-E311 WeakPolarHBondContact O-CB 3.49Å; T307-E311 PolarHBondContact O-N 3.42Å
308	L	97.8	Very high	97.8	Very high	1 Å²	1	69 Å²	69	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-38.9	175.4	-83.8	173.4	0	0	0	112.6	R57 V90 E304 D305 E311 S312 F320	R57-L308 HydrophobicContact CB-CD1 3.73Å; R57-L308 HydrophobicContact CG-CD1 3.87Å; R57-L308 WeakPolarHBondContact O-CD2 3.28Å; V90-L308 HydrophobicContact CG1-CD1 4.32Å; V90-L308 HydrophobicContact CG1-CD2 4.49Å; E304-L308 HydrophobicContact CG-CD1 4.18Å; E304-L308 WeakPolarHBondContact O-CB 2.88Å; E304-L308 PolarHBondContact O-N 2.94Å; D305-L308 PolarHBondContact O-N 3.45Å; L308-E311 PolarHBondContact O-N 2.96Å; L308-S312 VanDerWaalsContact O-CB 3.27Å; L308-S312 WeakPolarHBondContact O-CB 3.42Å; L308-S312 PolarHBondContact O-N 2.99Å; L308-F320 HydrophobicContact CB-CE1 4.26Å; L308-F320 HydrophobicContact CB-CZ 4.18Å; L308-F320 HydrophobicContact CD1-CE1 4.5Å
309	Q	97.6	Very high	97.8	Very high	95 Å²	95	67.7 Å²	67.7	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.8	-173.5	61.7	41.3	0	0	111.1	D305 A306 S312 L313	D305-Q309 VanDerWaalsContact O-CB 3.32Å; D305-Q309 WeakPolarHBondContact O-CB 3.37Å; D305-Q309 PolarHBondContact O-N 3.29Å; A306-Q309 PolarHBondContact O-N 3.05Å; Q309-S312 PolarHBondContact O-N 3.14Å; Q309-L313 HydrophobicContact CG-CD1 4.3Å; Q309-L313 WeakPolarHBondContact O-CB 3.27Å; Q309-L313 VanDerWaalsContact O-CG 3.25Å; Q309-L313 WeakPolarHBondContact O-CG 3.43Å; Q309-L313 PolarHBondContact O-N 3.46Å
310	E	98.1	Very high	97.8	Very high	135 Å²	135	67.4 Å²	67.4	63%	0.631	34%	0.337	S	S	*	.	H	α-helix	trans	-62.4	-46.5	174.2	-175.8	177.5	-178.5	0	0	111.5	A306 T307 S312 L313 R314	A306-E310 PolarHBondContact O-N 3.3Å; T307-E310 PolarHBondContact O-N 2.99Å; E310-S312 VanDerWaalsContact C-N 3.35Å; E310-S312 PolarHBondContact O-N 2.95Å; E310-L313 PolarHBondContact O-N 2.74Å; E310-R314 VanDerWaalsContact O-CB 3.32Å; E310-R314 WeakPolarHBondContact O-CB 3.12Å; E310-R314 PolarHBondContact O-N 3.39Å
311	E	98.2	Very high	97.8	Very high	19 Å²	19	66.4 Å²	66.4	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-47.5	175	-174.7	-172.3	171.4	0	0	111.3	H60 R63 R67 T307 L308 L313 R314 H315	H60-E311 IonicContact CE1-OE2 3.49Å; H60-E311 PolarHBondContact CE1-OE2 2.92Å; H60-E311 IonicContact CG-OE2 3.89Å; H60-E311 IonicContact ND1-OE2 2.77Å; H60-E311 PolarHBondContact ND1-OE2 3.11Å; R63-E311 IonicContact CZ-OE1 2.75Å; R63-E311 IonicContact CZ-OE2 3.83Å; R63-E311 IonicContact NE-OE1 3.83Å; R63-E311 PolarHBondContact NE-OE1 2.75Å; R63-E311 IonicContact NE-OE2 2.81Å; R63-E311 PolarHBondContact NE-OE2 3.19Å; R63-E311 IonicContact NH2-OE1 3.29Å; R63-E311 IonicContact NH2-OE2 3.89Å; R63-E311 PolarHBondContact NH2-OE2 2.99Å; R67-E311 IonicContact CZ-OE1 2.76Å; R67-E311 VanDerWaalsContact CZ-OE1 3.25Å; R67-E311 IonicContact NH1-OE1 2.73Å; R67-E311 PolarHBondContact NH1-OE1 2.85Å; R67-E311 IonicContact NH2-OE1 3.5Å; R67-E311 PolarHBondContact NH2-OE1 3.36Å; T307-E311 WeakPolarHBondContact O-CB 3.49Å; T307-E311 PolarHBondContact O-N 3.42Å; L308-E311 PolarHBondContact O-N 2.96Å; E311-L313 PolarHBondContact O-N 3.37Å; E311-R314 PolarHBondContact O-N 2.6Å; E311-H315 PolarHBondContact O-CD2 2.83Å; E311-H315 VanDerWaalsContact O-CD2 3.28Å; E311-H315 PolarHBondContact O-N 2.75Å
312	S	97.8	Very high	97.7	Very high	20 Å²	20	69.7 Å²	69.7	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-43.6	178.7	-179.6	0	0	0	0	112.1	L308 Q309 E310 R314 G316	L308-S312 VanDerWaalsContact O-CB 3.27Å; L308-S312 WeakPolarHBondContact O-CB 3.42Å; L308-S312 PolarHBondContact O-N 2.99Å; Q309-S312 PolarHBondContact O-N 3.14Å; E310-S312 VanDerWaalsContact C-N 3.35Å; E310-S312 PolarHBondContact O-N 2.95Å; S312-R314 VanDerWaalsContact C-N 3.35Å; S312-G316 WeakPolarHBondContact O-CA 3.44Å; S312-G316 PolarHBondContact O-N 2.96Å
313	L	97.9	Very high	97.6	Very high	133 Å²	133	63.2 Å²	63.2	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-65.7	-37.2	176.4	-72.9	171	0	0	0	112.3	Q309 E310 E311	Q309-L313 HydrophobicContact CG-CD1 4.3Å; Q309-L313 WeakPolarHBondContact O-CB 3.27Å; Q309-L313 VanDerWaalsContact O-CG 3.25Å; Q309-L313 WeakPolarHBondContact O-CG 3.43Å; Q309-L313 PolarHBondContact O-N 3.46Å; E310-L313 PolarHBondContact O-N 2.74Å; E311-L313 PolarHBondContact O-N 3.37Å
314	R	97.7	Very high	97.6	Very high	196 Å²	196	56.4 Å²	56.4	74%	0.74	30%	0.299	S	S	*	.	H	α-helix	trans	-71.5	-41.3	-178.7	-177.6	176.4	179.7	-179.7	-3.2	112.6	E310 E311 S312	E310-R314 VanDerWaalsContact O-CB 3.32Å; E310-R314 WeakPolarHBondContact O-CB 3.12Å; E310-R314 PolarHBondContact O-N 3.39Å; E311-R314 PolarHBondContact O-N 2.6Å; S312-R314 VanDerWaalsContact C-N 3.35Å
315	H	97.3	Very high	97.6	Very high	66 Å²	66	55.9 Å²	55.9	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-106.2	-25.4	-170.1	-64.1	-77.1	0	0	0	114.1	E311 D317	E311-H315 PolarHBondContact O-CD2 2.83Å; E311-H315 VanDerWaalsContact O-CD2 3.28Å; E311-H315 PolarHBondContact O-N 2.75Å; H315-D317 VanDerWaalsContact CB-OD1 3.27Å; H315-D317 WeakPolarHBondContact CB-OD1 3.32Å; H315-D317 PolarHBondContact O-N 2.85Å; H315-D317 VanDerWaalsContact O-N 3.11Å
316	G	96.5	Very high	97.4	Very high	47 Å²	47	53.1 Å²	53.1	49%	0.485	28%	0.283	S	S	.	.	S	Bend	trans	64	12.6	179.9	0	0	0	0	0	114.8	K87 S312	K87-G316 PolarHBondContact NZ-O 2.66Å; S312-G316 WeakPolarHBondContact O-CA 3.44Å; S312-G316 PolarHBondContact O-N 2.96Å
317	D	97.5	Very high	97.2	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.091	27%	0.267	C	S	.	.			trans	-107.5	0.8	-174.8	61.4	7.5	0	0	0	113.5	R67 K87 F88 H315	R67-D317 IonicContact CZ-OD1 3.72Å; R67-D317 IonicContact CZ-OD2 3.7Å; R67-D317 IonicContact NE-OD1 3.35Å; R67-D317 IonicContact NE-OD2 2.78Å; R67-D317 PolarHBondContact NE-OD2 2.69Å; R67-D317 IonicContact NH2-OD1 2.8Å; R67-D317 PolarHBondContact NH2-OD1 3.18Å; R67-D317 IonicContact NH2-OD2 3.25Å; R67-D317 PolarHBondContact NH2-OD2 3.45Å; K87-D317 CarbonylContact C-O 3.55Å; K87-D317 VanDerWaalsContact CA-O 3.25Å; K87-D317 WeakPolarHBondContact CA-O 3.22Å; F88-D317 HydrophobicContact CD2-CB 4.26Å; F88-D317 WeakPolarHBondContact CE2-OD2 3.25Å; F88-D317 PolarHBondContact N-O 3.42Å; H315-D317 VanDerWaalsContact CB-OD1 3.27Å; H315-D317 WeakPolarHBondContact CB-OD1 3.32Å; H315-D317 PolarHBondContact O-N 2.85Å; H315-D317 VanDerWaalsContact O-N 3.11Å
318	V	98.4	Very high	96.9	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.9	178.8	-176.4	0	0	0	0	111.3	F88 V90 F320	F88-V318 HydrophobicContact CB-CG2 4.48Å; V90-V318 HydrophobicContact CB-CG1 4.14Å; V90-V318 HydrophobicContact CG2-CG1 3.87Å; V318-F320 HydrophobicContact CG1-CD1 4.26Å; V318-F320 HydrophobicContact CG1-CD2 4.42Å; V318-F320 HydrophobicContact CG1-CE1 3.85Å; V318-F320 HydrophobicContact CG1-CE2 4.04Å; V318-F320 HydrophobicContact CG1-CZ 3.74Å
319	V	98.4	Very high	96.7	Very high	7 Å²	7	53 Å²	53	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.5	172.3	177.4	0	0	0	0	109.2	K87 F88 V90 V321 F337 W340	K87-V319 HydrophobicContact CB-CG2 3.86Å; K87-V319 HydrophobicContact CD-CG2 3.98Å; K87-V319 HydrophobicContact CG-CG2 3.99Å; F88-V319 PolarHBondContact O-N 2.97Å; V90-V319 PolarHBondContact N-O 3.4Å; V319-V321 HydrophobicContact CG1-CG1 4.24Å; V319-F337 HydrophobicContact CG1-CD2 4.21Å; V319-F337 HydrophobicContact CG2-CE2 4.4Å; V319-W340 HydrophobicContact CB-CD2 4.46Å; V319-W340 HydrophobicContact CG1-CB 4.37Å; V319-W340 HydrophobicContact CG1-CD2 3.54Å; V319-W340 HydrophobicContact CG1-CE3 4.02Å; V319-W340 HydrophobicContact CG1-CG 3.67Å; V319-W340 HydrophobicContact CG1-CZ2 4.4Å; V319-W340 HydrophobicContact CG2-CD2 4.04Å; V319-W340 HydrophobicContact CG2-CE3 4.01Å; V319-W340 HydrophobicContact CG2-CH2 3.58Å; V319-W340 HydrophobicContact CG2-CZ2 3.56Å; V319-W340 HydrophobicContact CG2-CZ3 3.8Å
320	F	98.4	Very high	96.5	Very high	46 Å²	46	49.2 Å²	49.2	20%	0.202	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.4	174.9	-63.2	-70.8	0	0	0	111.5	V90 R92 L308 V318	V90-F320 HydrophobicContact CB-CD1 4.18Å; V90-F320 HydrophobicContact CB-CE1 4.28Å; V90-F320 HydrophobicContact CG1-CD1 4.25Å; V90-F320 HydrophobicContact CG1-CE1 4.15Å; V90-F320 WeakPolarHBondContact O-CA 3.31Å; R92-F320 HydrophobicContact CB-CB 4.34Å; L308-F320 HydrophobicContact CB-CE1 4.26Å; L308-F320 HydrophobicContact CB-CZ 4.18Å; L308-F320 HydrophobicContact CD1-CE1 4.5Å; V318-F320 HydrophobicContact CG1-CD1 4.26Å; V318-F320 HydrophobicContact CG1-CD2 4.42Å; V318-F320 HydrophobicContact CG1-CE1 3.85Å; V318-F320 HydrophobicContact CG1-CE2 4.04Å; V318-F320 HydrophobicContact CG1-CZ 3.74Å
321	V	97.8	Very high	96.2	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145	176.2	-69.1	0	0	0	0	111.3	I89 V90 R92 V319 V323 K333 Q336 F337	I89-V321 HydrophobicContact CG2-CG1 4.24Å; I89-V321 HydrophobicContact CG2-CG2 3.92Å; V90-V321 WeakPolarHBondContact O-CG2 3.32Å; V90-V321 PolarHBondContact O-N 3.43Å; R92-V321 VanDerWaalsContact CB-O 3.24Å; R92-V321 WeakPolarHBondContact CB-O 3.37Å; R92-V321 PolarHBondContact N-O 2.76Å; V319-V321 HydrophobicContact CG1-CG1 4.24Å; V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 HydrophobicContact CG2-CG2 4.02Å; V321-V323 PolarHBondContact O-N 3.38Å; V321-K333 HydrophobicContact CG2-CB 4.4Å; V321-K333 HydrophobicContact CG2-CG 3.59Å; V321-Q336 HydrophobicContact CB-CB 3.7Å; V321-Q336 HydrophobicContact CG1-CB 3.91Å; V321-Q336 HydrophobicContact CG2-CB 4.47Å; V321-F337 HydrophobicContact CG1-CB 4.29Å
322	D	96.6	Very high	96	Very high	96 Å²	96	43.9 Å²	43.9	51%	0.513	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	74.7	-171.9	-166	38.8	0	0	0	112.5	H93	H93-D322 IonicContact CD2-OD1 3.47Å; H93-D322 PolarHBondContact CD2-OD1 3.23Å; H93-D322 IonicContact CE1-OD1 2.86Å; H93-D322 IonicContact NE2-OD1 2.72Å; H93-D322 PolarHBondContact NE2-OD1 2.81Å
323	V	96.2	Very high	95.8	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.085	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.3	177.2	-58.2	0	0	0	0	109.8	R92 H93 V321 D325 K333 Q336	R92-V323 PolarHBondContact N-O 2.79Å; H93-V323 PolarHBondContact N-O 3.07Å; H93-V323 VanDerWaalsContact N-O 3.11Å; V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 HydrophobicContact CG2-CG2 4.02Å; V321-V323 PolarHBondContact O-N 3.38Å; V323-D325 PolarHBondContact O-N 3.47Å; V323-K333 HydrophobicContact CG2-CB 3.93Å; V323-K333 HydrophobicContact CG2-CG 4.04Å; V323-Q336 HydrophobicContact CG1-CG 3.99Å
324	V	97.6	Very high	95.7	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.261	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.4	163.5	-174.9	0	0	0	0	107.8	H93 C95 C108 T326 N329	H93-V324 HydrophobicContact CB-CG2 4.21Å; H93-V324 CarbonylContact O-C 3.49Å; H93-V324 WeakPolarHBondContact O-CA 3.12Å; C95-V324 HydrophobicContact CB-CG1 3.93Å; C108-V324 HydrophobicContact CB-CG1 4.22Å; V324-T326 HydrophobicContact CG1-CG2 4.12Å; V324-T326 PolarHBondContact O-N 3Å; V324-N329 VanDerWaalsContact O-CB 3.28Å; V324-N329 WeakPolarHBondContact O-CB 3.46Å; V324-N329 PolarHBondContact O-ND2 3.18Å
325	D	96.6	Very high	95.6	Very high	27 Å²	27	28.3 Å²	28.3	14%	0.144	16%	0.16	C	C	.	.			trans	-75.4	88.4	-174.9	-149.3	-17.1	0	0	0	110.7	R57 G91 H93 V323 K333	R57-D325 VanDerWaalsContact CD-CB 3.49Å; R57-D325 HydrophobicContact CG-CB 3.84Å; R57-D325 WeakPolarHBondContact CG-OD2 3.3Å; G91-D325 WeakPolarHBondContact CA-OD2 3.45Å; G91-D325 PolarHBondContact N-OD2 2.81Å; H93-D325 PolarHBondContact O-N 3.08Å; V323-D325 PolarHBondContact O-N 3.47Å; D325-K333 IonicContact OD1-NZ 3.18Å; D325-K333 PolarHBondContact OD1-NZ 2.8Å; D325-K333 IonicContact OD2-NZ 3.14Å; D325-K333 PolarHBondContact OD2-NZ 3.49Å
326	T	94.9	Very high	95.5	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.067	16%	0.16	C	C	.	.	S	Bend	trans	-130	161.2	171	64	0	0	0	0	109.6	C95 Y106 C108 V324 R328 N329 V330	C95-T326 HydrophobicContact CB-CG2 3.93Å; Y106-T326 WeakPolarHBondContact O-CB 3.49Å; C108-T326 HydrophobicContact CB-CG2 3.84Å; V324-T326 HydrophobicContact CG1-CG2 4.12Å; V324-T326 PolarHBondContact O-N 3Å; T326-R328 VanDerWaalsContact C-N 3.25Å; T326-R328 PolarHBondContact O-N 2.94Å; T326-N329 PolarHBondContact O-N 3.41Å; T326-N329 PolarHBondContact OG1-ND2 2.82Å; T326-V330 PolarHBondContact O-N 3.47Å
327	Y	91.8	Very high	95.5	Very high	45 Å²	45	26.2 Å²	26.2	18%	0.176	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.5	-41.3	178	-173.1	-96.1	0	0	0	111.8	Y106 N329 V330 K394 W395	Y106-Y327 HydrophobicContact CD1-CD1 4.13Å; Y106-Y327 HydrophobicContact CD1-CG 4.2Å; Y106-Y327 HydrophobicContact CG-CD1 4.31Å; Y106-Y327 PolarHBondContact O-N 3.04Å; Y327-N329 PolarHBondContact O-N 2.96Å; Y327-V330 VanDerWaalsContact O-CG2 3.26Å; Y327-V330 WeakPolarHBondContact O-CG2 3.24Å; Y327-V330 PolarHBondContact O-N 2.82Å; Y327-K394 HydrophobicContact CD1-CG 3.95Å; Y327-K394 HydrophobicContact CE1-CD 4.31Å; Y327-K394 HydrophobicContact CE1-CG 3.58Å; Y327-K394 WeakPolarHBondContact CE1-O 3.49Å; Y327-W395 HydrophobicContact CE1-CE3 4.49Å; Y327-W395 AromaticContact CZ-CZ3 3.92Å; Y327-W395 WeakPolarHBondContact OH-CH2 3.33Å; Y327-W395 WeakPolarHBondContact OH-CZ3 3.38Å
328	R	91.1	Very high	95.5	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.098	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.6	177.1	-65.9	-53.1	178.2	179.9	1.7	114.1	D104 Y106 T326 G393 K394 Q396 Q435	D104-R328 IonicContact OD1-NE 2.74Å; Y106-R328 VanDerWaalsContact O-CG 3.31Å; Y106-R328 WeakPolarHBondContact O-CG 3.24Å; Y106-R328 PolarHBondContact O-N 2.59Å; T326-R328 VanDerWaalsContact C-N 3.25Å; T326-R328 PolarHBondContact O-N 2.94Å; R328-G393 PolarHBondContact NH2-O 2.94Å; R328-K394 PolarHBondContact NH1-O 2.95Å; R328-Q396 PolarHBondContact NH1-O 3.12Å; R328-Q435 VanDerWaalsContact CD-NE2 3.3Å; R328-Q435 PolarHBondContact O-NE2 3.49Å
329	N	93.5	Very high	95.4	Very high	50 Å²	50	28.3 Å²	28.3	27%	0.267	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-97.2	4.7	-176.9	-73.5	-17.6	0	0	0	113.7	V324 T326 Y327 P331 S332 K333	V324-N329 VanDerWaalsContact O-CB 3.28Å; V324-N329 WeakPolarHBondContact O-CB 3.46Å; V324-N329 PolarHBondContact O-ND2 3.18Å; T326-N329 PolarHBondContact O-N 3.41Å; T326-N329 PolarHBondContact OG1-ND2 2.82Å; Y327-N329 PolarHBondContact O-N 2.96Å; N329-P331 VanDerWaalsContact C-CD 3.48Å; N329-S332 WeakPolarHBondContact O-CB 3.18Å; N329-S332 PolarHBondContact O-N 3.36Å; N329-S332 VanDerWaalsContact O-N 3.13Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 PolarHBondContact O-N 2.79Å
330	V	93.3	Very high	95.3	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-55.9	-42.3	178.9	177.2	0	0	0	0	113.5	L54 T326 Y327 S332 K333 L334 E437	L54-V330 HydrophobicContact CD1-CG1 3.46Å; L54-V330 VanDerWaalsContact CD1-CG1 3.46Å; L54-V330 HydrophobicContact CD2-CG1 4.42Å; T326-V330 PolarHBondContact O-N 3.47Å; Y327-V330 VanDerWaalsContact O-CG2 3.26Å; Y327-V330 WeakPolarHBondContact O-CG2 3.24Å; Y327-V330 PolarHBondContact O-N 2.82Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 3.32Å; V330-K333 VanDerWaalsContact O-CB 3.3Å; V330-K333 WeakPolarHBondContact O-CB 3.39Å; V330-K333 PolarHBondContact O-N 3.33Å; V330-K333 VanDerWaalsContact O-N 3.16Å; V330-L334 PolarHBondContact O-N 3.2Å; V330-E437 HydrophobicContact CB-CG 4.3Å; V330-E437 HydrophobicContact CG1-CB 4.22Å; V330-E437 HydrophobicContact CG1-CG 3.52Å; V330-E437 WeakPolarHBondContact CG1-OE1 3.48Å
331	P	92.1	Very high	95.3	Very high	2 Å²	2	29 Å²	29	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-42	176	-20.6	30.1	0	0	0	112.5	N329 L334 L335 A433 Y434	N329-P331 VanDerWaalsContact C-CD 3.48Å; P331-L334 PolarHBondContact O-N 3.39Å; P331-L335 WeakPolarHBondContact O-CB 3.36Å; P331-L335 PolarHBondContact O-N 2.74Å; P331-A433 HydrophobicContact CB-CB 4.01Å; P331-Y434 WeakPolarHBondContact CG-O 3.39Å
332	S	93.6	Very high	95.2	Very high	40 Å²	40	30.7 Å²	30.7	28%	0.28	16%	0.155	S	C	.	.	H	α-helix	trans	-65.4	-40.6	175.1	-54.9	0	0	0	0	111.8	N329 V330 L334 L335 Q336	N329-S332 WeakPolarHBondContact O-CB 3.18Å; N329-S332 PolarHBondContact O-N 3.36Å; N329-S332 VanDerWaalsContact O-N 3.13Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 3.32Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 3.33Å; S332-L335 PolarHBondContact O-N 2.84Å; S332-Q336 WeakPolarHBondContact O-CB 3.39Å; S332-Q336 VanDerWaalsContact O-CG 3.26Å; S332-Q336 WeakPolarHBondContact O-CG 3.12Å; S332-Q336 PolarHBondContact O-N 3.13Å
333	K	95.4	Very high	95.1	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.022	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-47	176.2	-172.5	176.3	177.2	171	0	111.3	L54 S55 I89 V321 V323 D325 N329 V330 Q336 F337	L54-K333 HydrophobicContact CD2-CD 4.17Å; L54-K333 HydrophobicContact CD2-CG 4.26Å; S55-K333 PolarHBondContact O-NZ 3.42Å; I89-K333 VanDerWaalsContact C-CE 3.47Å; I89-K333 HydrophobicContact CG2-CG 3.86Å; I89-K333 WeakPolarHBondContact O-CE 3.33Å; I89-K333 PolarHBondContact O-NZ 3.14Å; V321-K333 HydrophobicContact CG2-CB 4.4Å; V321-K333 HydrophobicContact CG2-CG 3.59Å; V323-K333 HydrophobicContact CG2-CB 3.93Å; V323-K333 HydrophobicContact CG2-CG 4.04Å; D325-K333 IonicContact OD1-NZ 3.18Å; D325-K333 PolarHBondContact OD1-NZ 2.8Å; D325-K333 IonicContact OD2-NZ 3.14Å; D325-K333 PolarHBondContact OD2-NZ 3.49Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 PolarHBondContact O-N 2.79Å; V330-K333 VanDerWaalsContact O-CB 3.3Å; V330-K333 WeakPolarHBondContact O-CB 3.39Å; V330-K333 PolarHBondContact O-N 3.33Å; V330-K333 VanDerWaalsContact O-N 3.16Å; K333-Q336 PolarHBondContact O-N 3.18Å; K333-F337 PolarHBondContact O-N 3.41Å
334	L	95.2	Very high	95.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-43.8	177	-179.8	66.2	0	0	0	112.2	V330 P331 S332 Q336 F337 Y338 K352 Y414 E437	V330-L334 PolarHBondContact O-N 3.2Å; P331-L334 PolarHBondContact O-N 3.39Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 3.33Å; L334-Q336 VanDerWaalsContact C-N 3.32Å; L334-Q336 PolarHBondContact O-N 2.79Å; L334-F337 WeakPolarHBondContact O-CA 3.36Å; L334-F337 WeakPolarHBondContact O-CB 3.23Å; L334-F337 PolarHBondContact O-N 2.93Å; L334-Y338 HydrophobicContact CD1-CD1 4.41Å; L334-Y338 HydrophobicContact CD1-CE1 3.71Å; L334-Y338 HydrophobicContact CD1-CE2 4.48Å; L334-Y338 HydrophobicContact CD2-CE2 4.21Å; L334-Y338 HydrophobicContact CG-CE1 4.08Å; L334-Y338 HydrophobicContact CG-CE2 3.96Å; L334-Y338 PolarHBondContact O-N 2.77Å; L334-K352 HydrophobicContact CD1-CG 3.96Å; L334-Y414 VanDerWaalsContact CD2-OH 3.23Å; L334-Y414 WeakPolarHBondContact CD2-OH 3.35Å; L334-E437 WeakPolarHBondContact CD2-O 3.01Å
335	L	94.8	Very high	94.9	Very high	15 Å²	15	30 Å²	30	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-38.9	178.8	-174.2	60.3	0	0	0	112.3	P331 S332 F337 Y338 K339 A428 L431 L440	P331-L335 WeakPolarHBondContact O-CB 3.36Å; P331-L335 PolarHBondContact O-N 2.74Å; S332-L335 PolarHBondContact O-N 2.84Å; L335-F337 VanDerWaalsContact C-N 3.32Å; L335-Y338 HydrophobicContact CD1-CD2 4.43Å; L335-Y338 PolarHBondContact O-N 3.41Å; L335-K339 PolarHBondContact O-N 2.75Å; L335-A428 HydrophobicContact CD1-CB 3.66Å; L335-A428 HydrophobicContact CD2-CB 3.63Å; L335-A428 HydrophobicContact CG-CB 3.6Å; L335-L431 HydrophobicContact CD1-CD1 4.41Å; L335-L440 HydrophobicContact CD1-CD1 4.01Å; L335-L440 HydrophobicContact CD1-CD2 4.5Å; L335-L440 HydrophobicContact CD2-CD2 4.02Å
336	Q	95.7	Very high	94.8	Very high	68 Å²	68	32.3 Å²	32.3	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-66.5	-34.5	172.4	-68.2	-66.9	-10.8	0	0	111.9	V321 V323 S332 K333 L334 K339 W340	V321-Q336 HydrophobicContact CB-CB 3.7Å; V321-Q336 HydrophobicContact CG1-CB 3.91Å; V321-Q336 HydrophobicContact CG2-CB 4.47Å; V323-Q336 HydrophobicContact CG1-CG 3.99Å; S332-Q336 WeakPolarHBondContact O-CB 3.39Å; S332-Q336 VanDerWaalsContact O-CG 3.26Å; S332-Q336 WeakPolarHBondContact O-CG 3.12Å; S332-Q336 PolarHBondContact O-N 3.13Å; K333-Q336 PolarHBondContact O-N 3.18Å; L334-Q336 VanDerWaalsContact C-N 3.32Å; L334-Q336 PolarHBondContact O-N 2.79Å; Q336-K339 WeakPolarHBondContact O-CB 3.4Å; Q336-K339 PolarHBondContact O-N 3.17Å; Q336-W340 PolarHBondContact O-N 2.98Å
337	F	97.4	Very high	94.8	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-38.7	172.9	179.4	-111.3	0	0	0	112.3	L50 K87 I89 V319 V321 K333 L334 L335 K339 W340 S341 L350	L50-F337 HydrophobicContact CD2-CZ 4.37Å; K87-F337 HydrophobicContact CB-CE2 4.15Å; K87-F337 HydrophobicContact CB-CZ 4.33Å; I89-F337 HydrophobicContact CD1-CB 3.86Å; I89-F337 HydrophobicContact CD1-CD1 3.34Å; I89-F337 HydrophobicContact CD1-CD2 3.92Å; I89-F337 HydrophobicContact CD1-CE1 3.75Å; I89-F337 HydrophobicContact CD1-CE2 4.28Å; I89-F337 HydrophobicContact CD1-CG 3.41Å; I89-F337 VanDerWaalsContact CD1-CG 3.41Å; I89-F337 HydrophobicContact CD1-CZ 4.2Å; I89-F337 HydrophobicContact CG1-CB 4.19Å; I89-F337 HydrophobicContact CG1-CD1 3.99Å; I89-F337 HydrophobicContact CG1-CD2 3.6Å; I89-F337 HydrophobicContact CG1-CE1 4.23Å; I89-F337 HydrophobicContact CG1-CE2 3.86Å; I89-F337 HydrophobicContact CG1-CG 3.65Å; I89-F337 HydrophobicContact CG1-CZ 4.16Å; I89-F337 HydrophobicContact CG2-CB 3.84Å; I89-F337 HydrophobicContact CG2-CD2 4.28Å; I89-F337 HydrophobicContact CG2-CG 4.2Å; V319-F337 HydrophobicContact CG1-CD2 4.21Å; V319-F337 HydrophobicContact CG2-CE2 4.4Å; V321-F337 HydrophobicContact CG1-CB 4.29Å; K333-F337 PolarHBondContact O-N 3.41Å; L334-F337 WeakPolarHBondContact O-CA 3.36Å; L334-F337 WeakPolarHBondContact O-CB 3.23Å; L334-F337 PolarHBondContact O-N 2.93Å; L335-F337 VanDerWaalsContact C-N 3.32Å; F337-K339 VanDerWaalsContact C-N 3.32Å; F337-K339 PolarHBondContact O-N 2.96Å; F337-W340 AromaticContact CD2-CE3 3.91Å; F337-W340 HydrophobicContact CD2-CE3 3.91Å; F337-W340 AromaticContact CE2-CE3 3.56Å; F337-W340 HydrophobicContact CE2-CE3 3.56Å; F337-W340 AromaticContact CE2-CZ3 3.77Å; F337-W340 HydrophobicContact CE2-CZ3 3.77Å; F337-W340 HydrophobicContact CZ-CE3 4.42Å; F337-W340 HydrophobicContact CZ-CZ3 4.4Å; F337-W340 CarbonylContact O-C 3.51Å; F337-W340 WeakPolarHBondContact O-CB 3.27Å; F337-W340 PolarHBondContact O-N 3.05Å; F337-W340 VanDerWaalsContact O-N 3.16Å; F337-S341 PolarHBondContact O-N 3.03Å; F337-S341 PolarHBondContact O-OG 3.11Å; F337-L350 HydrophobicContact CD1-CD1 4.32Å; F337-L350 HydrophobicContact CE1-CD1 3.87Å; F337-L350 HydrophobicContact CE1-CG 4.44Å
338	Y	97.1	Very high	94.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-39.6	173.6	-64.7	-22.5	0	0	0	112.6	L334 L335 S341 V342 L350 Y414 V421 L424 L440	L334-Y338 HydrophobicContact CD1-CD1 4.41Å; L334-Y338 HydrophobicContact CD1-CE1 3.71Å; L334-Y338 HydrophobicContact CD1-CE2 4.48Å; L334-Y338 HydrophobicContact CD2-CE2 4.21Å; L334-Y338 HydrophobicContact CG-CE1 4.08Å; L334-Y338 HydrophobicContact CG-CE2 3.96Å; L334-Y338 PolarHBondContact O-N 2.77Å; L335-Y338 HydrophobicContact CD1-CD2 4.43Å; L335-Y338 PolarHBondContact O-N 3.41Å; Y338-S341 WeakPolarHBondContact CA-OG 3.47Å; Y338-S341 PolarHBondContact O-N 3.31Å; Y338-S341 PolarHBondContact O-OG 3.31Å; Y338-V342 VanDerWaalsContact O-CG2 3.3Å; Y338-V342 WeakPolarHBondContact O-CG2 3.09Å; Y338-V342 PolarHBondContact O-N 3.35Å; Y338-L350 HydrophobicContact CD1-CD1 3.77Å; Y338-L350 HydrophobicContact CE1-CD1 3.86Å; Y338-L350 HydrophobicContact CE1-CD2 3.81Å; Y338-Y414 PolarHBondContact OH-OH 2.85Å; Y338-Y414 VanDerWaalsContact OH-OH 3.09Å; Y338-V421 HydrophobicContact CD1-CG1 3.73Å; Y338-V421 HydrophobicContact CE1-CG1 4.48Å; Y338-V421 HydrophobicContact CG-CG1 3.87Å; Y338-L424 HydrophobicContact CD2-CB 3.97Å; Y338-L424 HydrophobicContact CD2-CD1 4.04Å; Y338-L424 HydrophobicContact CE2-CB 4.44Å; Y338-L424 HydrophobicContact CE2-CD1 3.66Å; Y338-L440 HydrophobicContact CE2-CD1 4.42Å
339	K	96	Very high	95.1	Very high	73 Å²	73	31 Å²	31	32%	0.317	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-46.5	171.8	-72	-175.8	175	-175.4	0	111.4	L335 Q336 F337 G343 A425 A428	L335-K339 PolarHBondContact O-N 2.75Å; Q336-K339 WeakPolarHBondContact O-CB 3.4Å; Q336-K339 PolarHBondContact O-N 3.17Å; F337-K339 VanDerWaalsContact C-N 3.32Å; F337-K339 PolarHBondContact O-N 2.96Å; K339-G343 PolarHBondContact O-N 3.39Å; K339-A425 HydrophobicContact CG-CB 4.14Å; K339-A428 HydrophobicContact CD-CB 4.44Å
340	W	96.9	Very high	95.3	Very high	69 Å²	69	28.6 Å²	28.6	26%	0.261	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-46.8	177.9	179.1	88	0	0	0	111.7	K87 V319 Q336 F337 V342 G343 N344	K87-W340 HydrophobicContact CD-CH2 4.3Å; K87-W340 HydrophobicContact CG-CH2 3.98Å; K87-W340 HydrophobicContact CG-CZ3 4.12Å; V319-W340 HydrophobicContact CB-CD2 4.46Å; V319-W340 HydrophobicContact CG1-CB 4.37Å; V319-W340 HydrophobicContact CG1-CD2 3.54Å; V319-W340 HydrophobicContact CG1-CE3 4.02Å; V319-W340 HydrophobicContact CG1-CG 3.67Å; V319-W340 HydrophobicContact CG1-CZ2 4.4Å; V319-W340 HydrophobicContact CG2-CD2 4.04Å; V319-W340 HydrophobicContact CG2-CE3 4.01Å; V319-W340 HydrophobicContact CG2-CH2 3.58Å; V319-W340 HydrophobicContact CG2-CZ2 3.56Å; V319-W340 HydrophobicContact CG2-CZ3 3.8Å; Q336-W340 PolarHBondContact O-N 2.98Å; F337-W340 AromaticContact CD2-CE3 3.91Å; F337-W340 HydrophobicContact CD2-CE3 3.91Å; F337-W340 AromaticContact CE2-CE3 3.56Å; F337-W340 HydrophobicContact CE2-CE3 3.56Å; F337-W340 AromaticContact CE2-CZ3 3.77Å; F337-W340 HydrophobicContact CE2-CZ3 3.77Å; F337-W340 HydrophobicContact CZ-CE3 4.42Å; F337-W340 HydrophobicContact CZ-CZ3 4.4Å; F337-W340 CarbonylContact O-C 3.51Å; F337-W340 WeakPolarHBondContact O-CB 3.27Å; F337-W340 PolarHBondContact O-N 3.05Å; F337-W340 VanDerWaalsContact O-N 3.16Å; W340-V342 PolarHBondContact O-N 3.34Å; W340-G343 PolarHBondContact O-N 2.9Å; W340-N344 HydrophobicContact CD2-CB 4.25Å; W340-N344 HydrophobicContact CZ2-CB 3.97Å; W340-N344 VanDerWaalsContact O-CB 3.32Å; W340-N344 WeakPolarHBondContact O-CB 3.13Å; W340-N344 PolarHBondContact O-N 2.81Å; W340-N344 PolarHBondContact O-ND2 2.83Å
341	S	97.2	Very high	95.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-45.9	-175.7	61.6	0	0	0	0	111.9	F337 Y338 G343 N344 A345	F337-S341 PolarHBondContact O-N 3.03Å; F337-S341 PolarHBondContact O-OG 3.11Å; Y338-S341 WeakPolarHBondContact CA-OG 3.47Å; Y338-S341 PolarHBondContact O-N 3.31Å; Y338-S341 PolarHBondContact O-OG 3.31Å; S341-G343 VanDerWaalsContact C-N 3.27Å; S341-G343 PolarHBondContact O-N 3.28Å; S341-N344 PolarHBondContact O-N 2.62Å; S341-A345 PolarHBondContact O-N 2.81Å; S341-A345 VanDerWaalsContact O-O 3.07Å
342	V	96.3	Very high	95.6	Very high	41 Å²	41	28.1 Å²	28.1	25%	0.248	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-29.3	-179.2	174.4	0	0	0	0	111.9	Y338 W340 V421 Q422 A425	Y338-V342 VanDerWaalsContact O-CG2 3.3Å; Y338-V342 WeakPolarHBondContact O-CG2 3.09Å; Y338-V342 PolarHBondContact O-N 3.35Å; W340-V342 PolarHBondContact O-N 3.34Å; V342-V421 HydrophobicContact CG2-CG1 3.95Å; V342-Q422 HydrophobicContact CG1-CB 4.46Å; V342-Q422 HydrophobicContact CG1-CG 4.17Å; V342-Q422 HydrophobicContact CG2-CB 4.25Å; V342-A425 HydrophobicContact CG2-CB 4.19Å
343	G	95.2	Very high	95.8	Very high	49 Å²	49	26.2 Å²	26.2	51%	0.505	14%	0.143	S	C	.	.	H	α-helix	trans	-85.1	-23.1	178.5	0	0	0	0	0	114.9	K339 W340 S341	K339-G343 PolarHBondContact O-N 3.39Å; W340-G343 PolarHBondContact O-N 2.9Å; S341-G343 VanDerWaalsContact C-N 3.27Å; S341-G343 PolarHBondContact O-N 3.28Å
344	N	95.4	Very high	95.8	Very high	84 Å²	84	27.2 Å²	27.2	45%	0.449	15%	0.148	S	C	.	.	H	α-helix	trans	-125.4	-5.8	-165.4	-64.3	-93.1	0	0	0	114.6	W340 S341	W340-N344 HydrophobicContact CD2-CB 4.25Å; W340-N344 HydrophobicContact CZ2-CB 3.97Å; W340-N344 VanDerWaalsContact O-CB 3.32Å; W340-N344 WeakPolarHBondContact O-CB 3.13Å; W340-N344 PolarHBondContact O-N 2.81Å; W340-N344 PolarHBondContact O-ND2 2.83Å; S341-N344 PolarHBondContact O-N 2.62Å
345	A	94.1	Very high	95.9	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	15%	0.151	C	C	.	.			trans	-144	146	177.2	0	0	0	0	0	110.8	F47 L50 S341 F347	F47-A345 HydrophobicContact CD2-CB 4.43Å; F47-A345 HydrophobicContact CE2-CB 4.44Å; L50-A345 HydrophobicContact CD2-CB 4.28Å; S341-A345 PolarHBondContact O-N 2.81Å; S341-A345 VanDerWaalsContact O-O 3.07Å; A345-F347 HydrophobicContact CB-CD1 4.18Å
346	D	94.6	Very high	95.9	Very high	76 Å²	76	32.9 Å²	32.9	41%	0.406	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.4	164.7	-169.3	9.1	0	0	0	108.3	L44 P45 F46 F47	L44-D346 HydrophobicContact CB-CB 4.27Å; P45-D346 PolarHBondContact O-N 3.47Å; F46-D346 CarbonylContact C-O 3.51Å; F46-D346 VanDerWaalsContact CA-O 3.31Å; F46-D346 WeakPolarHBondContact CA-O 3.28Å; F46-D346 HydrophobicContact CB-CB 4.47Å; F46-D346 HydrophobicContact CD2-CB 4.22Å; F47-D346 PolarHBondContact N-O 2.8Å
347	F	94.9	Very high	95.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.4	-177	60.8	-86.7	0	0	0	113.4	F47 L50 A345 L349 L350 H418 V421	F47-F347 HydrophobicContact CB-CB 4.41Å; F47-F347 WeakPolarHBondContact O-CA 3.48Å; L50-F347 HydrophobicContact CB-CB 4.13Å; L50-F347 HydrophobicContact CB-CD1 4.33Å; L50-F347 HydrophobicContact CB-CD2 4.39Å; L50-F347 HydrophobicContact CB-CG 4.02Å; L50-F347 HydrophobicContact CD2-CD1 3.93Å; L50-F347 HydrophobicContact CD2-CE1 4.02Å; L50-F347 HydrophobicContact CD2-CG 4.43Å; A345-F347 HydrophobicContact CB-CD1 4.18Å; F347-L349 WeakPolarHBondContact CD2-O 3.44Å; F347-L350 HydrophobicContact CD2-CB 4.37Å; F347-L350 HydrophobicContact CE2-CB 3.83Å; F347-L350 HydrophobicContact CZ-CD1 4.4Å; F347-H418 HydrophobicContact CD2-CB 4.18Å; F347-H418 AromaticContact CE1-CD2 3.76Å; F347-H418 HydrophobicContact CE2-CB 3.97Å; F347-H418 AromaticContact CE2-CD2 3.75Å; F347-H418 AromaticContact CZ-CD2 3.61Å; F347-H418 VanDerWaalsContact O-CB 3.25Å; F347-H418 WeakPolarHBondContact O-CB 3.45Å; F347-H418 PolarHBondContact O-CD2 3.22Å; F347-V421 HydrophobicContact CE2-CB 4.48Å; F347-V421 HydrophobicContact CE2-CG2 4.37Å; F347-V421 HydrophobicContact CZ-CB 4.3Å; F347-V421 HydrophobicContact CZ-CG1 4.05Å
348	N	93.7	Very high	95.8	Very high	52 Å²	52	38.8 Å²	38.8	28%	0.278	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-45.9	173	-73.1	-43	0	0	0	112.2	F46 F47 D48 K374 H418	F46-N348 WeakPolarHBondContact CZ-ND2 3.33Å; F47-N348 PolarHBondContact O-N 3.07Å; F47-N348 VanDerWaalsContact O-N 3.14Å; D48-N348 WeakPolarHBondContact O-CB 3.29Å; D48-N348 PolarHBondContact OD1-ND2 3.01Å; N348-K374 HydrophobicContact CB-CG 4.47Å; N348-H418 PolarHBondContact O-N 2.88Å; N348-H418 VanDerWaalsContact O-N 3.13Å
349	L	95.3	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.6	-173	-62.5	172.2	0	0	0	110.8	D48 V49 L50 F347 I368 F378 V415 V416	D48-L349 PolarHBondContact O-N 2.93Å; V49-L349 CarbonylContact C-O 3.51Å; V49-L349 WeakPolarHBondContact CA-O 3.4Å; V49-L349 HydrophobicContact CG2-CB 4.46Å; L50-L349 PolarHBondContact N-O 3.4Å; F347-L349 WeakPolarHBondContact CD2-O 3.44Å; L349-I368 HydrophobicContact CD1-CB 4.27Å; L349-I368 HydrophobicContact CD1-CD1 3.61Å; L349-I368 HydrophobicContact CD1-CG1 3.74Å; L349-I368 HydrophobicContact CD1-CG2 3.51Å; L349-F378 HydrophobicContact CD2-CD1 4.28Å; L349-V415 HydrophobicContact CB-CG1 3.88Å; L349-V415 HydrophobicContact CD1-CG1 4.07Å; L349-V415 HydrophobicContact CD2-CG1 4.13Å; L349-V415 HydrophobicContact CG-CG1 4.24Å; L349-V416 WeakPolarHBondContact CA-O 3.31Å
350	L	96.7	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.5	169.2	-174	154.2	0	0	0	109	L50 F337 Y338 F347 K352 V415 V416 V421	L50-L350 CarbonylContact O-C 3.59Å; L50-L350 WeakPolarHBondContact O-CA 3.49Å; F337-L350 HydrophobicContact CD1-CD1 4.32Å; F337-L350 HydrophobicContact CE1-CD1 3.87Å; F337-L350 HydrophobicContact CE1-CG 4.44Å; Y338-L350 HydrophobicContact CD1-CD1 3.77Å; Y338-L350 HydrophobicContact CE1-CD1 3.86Å; Y338-L350 HydrophobicContact CE1-CD2 3.81Å; F347-L350 HydrophobicContact CD2-CB 4.37Å; F347-L350 HydrophobicContact CE2-CB 3.83Å; F347-L350 HydrophobicContact CZ-CD1 4.4Å; L350-K352 HydrophobicContact CD2-CB 4.26Å; L350-V415 CarbonylContact O-C 3.58Å; L350-V415 VanDerWaalsContact O-CA 3.3Å; L350-V415 WeakPolarHBondContact O-CA 3.38Å; L350-V416 PolarHBondContact N-O 2.92Å; L350-V416 PolarHBondContact O-N 2.82Å; L350-V421 HydrophobicContact CB-CG2 3.82Å; L350-V421 HydrophobicContact CD1-CG1 3.96Å; L350-V421 HydrophobicContact CD1-CG2 4.06Å; L350-V421 HydrophobicContact CG-CG2 4.47Å
351	L	96.4	Very high	95.3	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.7	170.1	-173.2	154.6	0	0	0	108.7	V49 L50 V51 G52 T353 I359 V364 Y414 V415	V49-L351 HydrophobicContact CG1-CB 3.89Å; L50-L351 PolarHBondContact O-N 3Å; V51-L351 CarbonylContact C-O 3.54Å; V51-L351 VanDerWaalsContact CA-O 3.24Å; V51-L351 WeakPolarHBondContact CA-O 3.5Å; V51-L351 HydrophobicContact CG1-CD2 3.79Å; V51-L351 HydrophobicContact CG2-CB 4.23Å; G52-L351 PolarHBondContact N-O 3.04Å; L351-T353 HydrophobicContact CD2-CG2 4.23Å; L351-I359 HydrophobicContact CD1-CG2 4.46Å; L351-I359 HydrophobicContact CD2-CD1 4.27Å; L351-I359 HydrophobicContact CD2-CG1 4.48Å; L351-V364 HydrophobicContact CD1-CG1 3.81Å; L351-V364 HydrophobicContact CD1-CG2 4.26Å; L351-Y414 CarbonylContact C-O 3.59Å; L351-Y414 WeakPolarHBondContact CA-O 3.11Å; L351-V415 HydrophobicContact CB-CG2 4.23Å; L351-V415 HydrophobicContact CD1-CG2 3.92Å; L351-V415 HydrophobicContact CG-CG2 4.04Å
352	K	96.4	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.3	170.2	-177.8	-91.7	165.4	179	0	109.4	G52 L334 L350 D354 G411 G413 Y414 E437	G52-K352 WeakPolarHBondContact O-CA 3.49Å; L334-K352 HydrophobicContact CD1-CG 3.96Å; L350-K352 HydrophobicContact CD2-CB 4.26Å; K352-D354 WeakPolarHBondContact CE-OD1 3.34Å; K352-D354 VanDerWaalsContact NZ-CG 3.27Å; K352-D354 IonicContact NZ-OD1 3.97Å; K352-D354 PolarHBondContact NZ-OD1 2.81Å; K352-D354 IonicContact NZ-OD2 3.49Å; K352-D354 PolarHBondContact NZ-OD2 2.75Å; K352-G411 PolarHBondContact NZ-O 2.83Å; K352-G413 CarbonylContact O-C 3.48Å; K352-G413 WeakPolarHBondContact O-CA 3.36Å; K352-Y414 HydrophobicContact CB-CD2 4.26Å; K352-Y414 HydrophobicContact CB-CE1 4Å; K352-Y414 HydrophobicContact CB-CE2 3.7Å; K352-Y414 HydrophobicContact CD-CD1 4.31Å; K352-Y414 HydrophobicContact CD-CE1 3.56Å; K352-Y414 HydrophobicContact CG-CE1 4.12Å; K352-Y414 PolarHBondContact N-O 3.14Å; K352-Y414 PolarHBondContact O-N 3.11Å; K352-E437 IonicContact NZ-OE2 2.75Å; K352-E437 PolarHBondContact NZ-OE2 3.32Å
353	T	96.6	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	179.9	167.8	-166.4	0	0	0	0	110.7	V51 G52 V53 L54 W70 L351 C357 I359 S412	V51-T353 HydrophobicContact CG1-CG2 4.3Å; G52-T353 PolarHBondContact O-N 3.04Å; V53-T353 WeakPolarHBondContact CA-O 3.44Å; V53-T353 HydrophobicContact CB-CG2 4.41Å; V53-T353 HydrophobicContact CG1-CG2 4.37Å; V53-T353 HydrophobicContact CG2-CG2 3.88Å; L54-T353 PolarHBondContact N-O 2.82Å; W70-T353 HydrophobicContact CZ2-CG2 4.49Å; L351-T353 HydrophobicContact CD2-CG2 4.23Å; T353-C357 VanDerWaalsContact OG1-CB 3.23Å; T353-C357 WeakPolarHBondContact OG1-CB 3.3Å; T353-I359 HydrophobicContact CG2-CD1 4.32Å; T353-I359 HydrophobicContact CG2-CG1 4.12Å; T353-S412 PolarHBondContact OG1-O 2.78Å
354	D	96.4	Very high	94.5	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	159.2	178.9	-63.9	-35.9	0	0	0	110.4	K352 D356 C357	K352-D354 WeakPolarHBondContact CE-OD1 3.34Å; K352-D354 VanDerWaalsContact NZ-CG 3.27Å; K352-D354 IonicContact NZ-OD1 3.97Å; K352-D354 PolarHBondContact NZ-OD1 2.81Å; K352-D354 IonicContact NZ-OD2 3.49Å; K352-D354 PolarHBondContact NZ-OD2 2.75Å; D354-D356 WeakPolarHBondContact CB-OD1 3.47Å; D354-D356 PolarHBondContact O-N 2.93Å; D354-C357 WeakPolarHBondContact O-CB 3.37Å; D354-C357 PolarHBondContact O-N 3.16Å
355	D	96.9	Very high	94.2	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.08	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.8	-178.9	62.5	-2.2	0	0	0	114.5	V53 L54 S55 H59 L62 I66	V53-D355 HydrophobicContact CG1-CB 3.92Å; L54-D355 WeakPolarHBondContact O-CB 3.44Å; L54-D355 PolarHBondContact O-N 3.31Å; S55-D355 WeakPolarHBondContact CA-OD2 3.22Å; S55-D355 WeakPolarHBondContact CB-OD2 3.48Å; S55-D355 PolarHBondContact OG-OD2 3.42Å; H59-D355 WeakPolarHBondContact CB-OD2 3.18Å; H59-D355 IonicContact CE1-OD1 3.48Å; H59-D355 IonicContact CE1-OD2 2.9Å; H59-D355 IonicContact CG-OD2 3.72Å; H59-D355 IonicContact ND1-OD1 2.81Å; H59-D355 PolarHBondContact ND1-OD1 2.75Å; H59-D355 IonicContact ND1-OD2 3.92Å; H59-D355 PolarHBondContact ND1-OD2 2.86Å; L62-D355 HydrophobicContact CB-CB 4.24Å; I66-D355 HydrophobicContact CD1-CB 4.13Å
356	D	95.6	Very high	93.9	Very high	121 Å²	121	39.5 Å²	39.5	65%	0.647	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	12.4	170.9	66.9	-3.9	0	0	0	113.1	D354	D354-D356 WeakPolarHBondContact CB-OD1 3.47Å; D354-D356 PolarHBondContact O-N 2.93Å
357	C	95.4	Very high	93.6	Very high	27 Å²	27	40.8 Å²	40.8	18%	0.182	21%	0.206	C	C	.	.			trans	-111.9	148.1	-177.6	-69.4	0	0	0	0	113.6	W70 T353 D354	W70-C357 PolarHBondContact NE1-O 2.92Å; T353-C357 VanDerWaalsContact OG1-CB 3.23Å; T353-C357 WeakPolarHBondContact OG1-CB 3.3Å; D354-C357 WeakPolarHBondContact O-CB 3.37Å; D354-C357 PolarHBondContact O-N 3.16Å
358	Y	95.5	Very high	93.1	Very high	166 Å²	166	40.8 Å²	40.8	65%	0.651	21%	0.206	S	C	*	.			trans	-103.1	135.5	168	175.9	-91.5	0	0	0	110.4	W70 D360	W70-Y358 HydrophobicContact CB-CD2 4.31Å; W70-Y358 HydrophobicContact CB-CE2 3.91Å; W70-Y358 AromaticContact CD1-CD2 3.87Å; W70-Y358 HydrophobicContact CG-CD2 4.4Å; W70-Y358 HydrophobicContact CG-CE2 4.48Å; Y358-D360 HydrophobicContact CE1-CB 4.16Å
359	I	94.1	Very high	92.6	Very high	21 Å²	21	42.1 Å²	42.1	11%	0.108	21%	0.213	C	C	.	.			trans	-113.9	120.7	176.5	-57.6	-60.6	0	0	0	110.4	W70 L351 T353 V361 V364	W70-I359 HydrophobicContact CD2-CB 4.14Å; W70-I359 HydrophobicContact CE3-CB 4.17Å; W70-I359 HydrophobicContact CH2-CG1 4.37Å; W70-I359 HydrophobicContact CZ2-CG1 4.22Å; W70-I359 HydrophobicContact CZ3-CB 4.44Å; L351-I359 HydrophobicContact CD1-CG2 4.46Å; L351-I359 HydrophobicContact CD2-CD1 4.27Å; L351-I359 HydrophobicContact CD2-CG1 4.48Å; T353-I359 HydrophobicContact CG2-CD1 4.32Å; T353-I359 HydrophobicContact CG2-CG1 4.12Å; I359-V361 HydrophobicContact CB-CG2 4.47Å; I359-V361 HydrophobicContact CG2-CG2 3.96Å; I359-V361 PolarHBondContact O-N 2.79Å; I359-V364 HydrophobicContact CG2-CG2 4.23Å
360	D	94.3	Very high	92	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	25%	0.246	S	C	.	.			trans	-80	91	164.1	179.5	-8.1	0	0	0	109.3	Y358 D362 S363 V364	Y358-D360 HydrophobicContact CE1-CB 4.16Å; D360-D362 PolarHBondContact O-N 3.4Å; D360-D362 PolarHBondContact OD1-N 2.86Å; D360-S363 VanDerWaalsContact CG-OG 3.22Å; D360-S363 PolarHBondContact O-N 3.09Å; D360-S363 PolarHBondContact OD1-N 3.29Å; D360-S363 PolarHBondContact OD1-OG 2.58Å; D360-S363 VanDerWaalsContact OD2-CB 3.25Å; D360-S363 WeakPolarHBondContact OD2-CB 3.48Å; D360-S363 PolarHBondContact OD2-OG 2.9Å; D360-V364 WeakPolarHBondContact O-CG2 3.19Å; D360-V364 PolarHBondContact O-N 3.18Å; D360-V364 VanDerWaalsContact O-N 3.11Å
361	V	90.1	Very high	91.1	Very high	10 Å²	10	55.8 Å²	55.8	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-37.9	-172.2	-176.3	0	0	0	0	111.6	W70 I74 V84 I359 V364 L365	W70-V361 HydrophobicContact CE3-CG2 4Å; I74-V361 HydrophobicContact CD1-CB 4.49Å; I74-V361 HydrophobicContact CD1-CG1 4.22Å; I74-V361 HydrophobicContact CD1-CG2 3.61Å; I74-V361 HydrophobicContact CG1-CB 4.31Å; I74-V361 HydrophobicContact CG1-CG1 4.04Å; I74-V361 HydrophobicContact CG1-CG2 3.81Å; V84-V361 HydrophobicContact CG2-CG1 4.43Å; I359-V361 HydrophobicContact CB-CG2 4.47Å; I359-V361 HydrophobicContact CG2-CG2 3.96Å; I359-V361 PolarHBondContact O-N 2.79Å; V361-V364 PolarHBondContact O-N 2.95Å; V361-L365 HydrophobicContact CG1-CD1 3.96Å; V361-L365 HydrophobicContact CG1-CG 4.26Å; V361-L365 WeakPolarHBondContact O-CG 3.49Å; V361-L365 PolarHBondContact O-N 3.36Å
362	D	91.2	Very high	90.2	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-52	175.3	-72.8	-79.8	0	0	0	110.7	Y73 F80 D360 V364 L365 M366	Y73-D362 WeakPolarHBondContact CE1-OD2 3.39Å; Y73-D362 VanDerWaalsContact CZ-OD2 3.25Å; Y73-D362 PolarHBondContact OH-OD1 3.08Å; Y73-D362 PolarHBondContact OH-OD2 3.2Å; F80-D362 VanDerWaalsContact CE2-OD1 3.26Å; F80-D362 WeakPolarHBondContact CE2-OD1 3.39Å; F80-D362 WeakPolarHBondContact CZ-OD1 3.32Å; D360-D362 PolarHBondContact O-N 3.4Å; D360-D362 PolarHBondContact OD1-N 2.86Å; D362-V364 VanDerWaalsContact C-N 3.26Å; D362-V364 PolarHBondContact O-N 2.96Å; D362-L365 PolarHBondContact O-N 3.21Å; D362-M366 VanDerWaalsContact O-CB 3.29Å; D362-M366 WeakPolarHBondContact O-CB 3.19Å; D362-M366 VanDerWaalsContact O-CG 3.29Å; D362-M366 WeakPolarHBondContact O-CG 3.21Å; D362-M366 PolarHBondContact O-N 2.86Å
363	S	91.9	Very high	89.1	Confident	46 Å²	46	58.1 Å²	58.1	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-37.3	178.3	-78.2	0	0	0	0	112.6	D360 K367	D360-S363 VanDerWaalsContact CG-OG 3.22Å; D360-S363 PolarHBondContact O-N 3.09Å; D360-S363 PolarHBondContact OD1-N 3.29Å; D360-S363 PolarHBondContact OD1-OG 2.58Å; D360-S363 VanDerWaalsContact OD2-CB 3.25Å; D360-S363 WeakPolarHBondContact OD2-CB 3.48Å; D360-S363 PolarHBondContact OD2-OG 2.9Å; S363-K367 WeakPolarHBondContact O-CB 3.45Å; S363-K367 VanDerWaalsContact O-CG 3.25Å; S363-K367 WeakPolarHBondContact O-CG 3.07Å; S363-K367 PolarHBondContact O-N 3.25Å; S363-K367 VanDerWaalsContact O-N 3.14Å
364	V	90.1	Very high	87.9	Confident	23 Å²	23	62.7 Å²	62.7	14%	0.139	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-52.7	177.1	168.7	0	0	0	0	110.7	L351 I359 D360 V361 D362 K367 I368	L351-V364 HydrophobicContact CD1-CG1 3.81Å; L351-V364 HydrophobicContact CD1-CG2 4.26Å; I359-V364 HydrophobicContact CG2-CG2 4.23Å; D360-V364 WeakPolarHBondContact O-CG2 3.19Å; D360-V364 PolarHBondContact O-N 3.18Å; D360-V364 VanDerWaalsContact O-N 3.11Å; V361-V364 PolarHBondContact O-N 2.95Å; D362-V364 VanDerWaalsContact C-N 3.26Å; D362-V364 PolarHBondContact O-N 2.96Å; V364-K367 PolarHBondContact O-N 3.05Å; V364-I368 HydrophobicContact CG1-CD1 3.67Å; V364-I368 WeakPolarHBondContact O-CG1 3.48Å; V364-I368 PolarHBondContact O-N 3.02Å
365	L	88	Confident	87.1	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-43.6	-178.6	-70.2	176.5	0	0	0	112	V49 F80 V84 V361 D362 K367 I368 D369	V49-L365 HydrophobicContact CG2-CD2 3.62Å; F80-L365 HydrophobicContact CD1-CD1 3.49Å; F80-L365 VanDerWaalsContact CD1-CD1 3.49Å; F80-L365 HydrophobicContact CE1-CD1 3.37Å; F80-L365 HydrophobicContact CG-CD1 4.24Å; F80-L365 HydrophobicContact CZ-CD1 4.01Å; V84-L365 HydrophobicContact CG2-CD1 4Å; V84-L365 HydrophobicContact CG2-CD2 4.31Å; V361-L365 HydrophobicContact CG1-CD1 3.96Å; V361-L365 HydrophobicContact CG1-CG 4.26Å; V361-L365 WeakPolarHBondContact O-CG 3.49Å; V361-L365 PolarHBondContact O-N 3.36Å; D362-L365 PolarHBondContact O-N 3.21Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 2.63Å; L365-I368 HydrophobicContact CD2-CD1 4.45Å; L365-I368 WeakPolarHBondContact O-CB 3.19Å; L365-I368 PolarHBondContact O-N 3Å; L365-I368 VanDerWaalsContact O-N 3.14Å; L365-D369 PolarHBondContact O-N 2.83Å
366	M	88.6	Confident	86.6	Confident	112 Å²	112	77.1 Å²	77.1	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-56.8	-43.7	174.3	-76.3	-175.8	71	0	0	111.2	D362 D369 H370	D362-M366 VanDerWaalsContact O-CB 3.29Å; D362-M366 WeakPolarHBondContact O-CB 3.19Å; D362-M366 VanDerWaalsContact O-CG 3.29Å; D362-M366 WeakPolarHBondContact O-CG 3.21Å; D362-M366 PolarHBondContact O-N 2.86Å; M366-D369 PolarHBondContact O-N 2.73Å; M366-H370 VanDerWaalsContact O-CB 3.3Å; M366-H370 WeakPolarHBondContact O-CB 3.31Å; M366-H370 PolarHBondContact O-N 2.87Å; M366-H370 PolarHBondContact O-ND1 3.44Å
367	K	87.6	Confident	86.3	Confident	102 Å²	102	77.2 Å²	77.2	44%	0.443	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-37	177.6	-77	174.2	-175.2	170.1	0	112.4	S363 V364 L365 K371 W380	S363-K367 WeakPolarHBondContact O-CB 3.45Å; S363-K367 VanDerWaalsContact O-CG 3.25Å; S363-K367 WeakPolarHBondContact O-CG 3.07Å; S363-K367 PolarHBondContact O-N 3.25Å; S363-K367 VanDerWaalsContact O-N 3.14Å; V364-K367 PolarHBondContact O-N 3.05Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 2.63Å; K367-K371 VanDerWaalsContact O-CB 3.3Å; K367-K371 WeakPolarHBondContact O-CB 3.28Å; K367-K371 PolarHBondContact O-N 3.49Å; K367-W380 HydrophobicContact CB-CH2 3.85Å; K367-W380 HydrophobicContact CB-CZ2 4.38Å; K367-W380 HydrophobicContact CB-CZ3 4.5Å; K367-W380 HydrophobicContact CD-CH2 3.72Å; K367-W380 HydrophobicContact CD-CZ2 3.78Å; K367-W380 HydrophobicContact CG-CH2 4.45Å
368	I	84.2	Confident	86	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-48.6	175.1	-73.6	162.8	0	0	0	110.6	V49 L349 V364 L365 G372 L373 K374	V49-I368 HydrophobicContact CG2-CD1 3.86Å; L349-I368 HydrophobicContact CD1-CB 4.27Å; L349-I368 HydrophobicContact CD1-CD1 3.61Å; L349-I368 HydrophobicContact CD1-CG1 3.74Å; L349-I368 HydrophobicContact CD1-CG2 3.51Å; V364-I368 HydrophobicContact CG1-CD1 3.67Å; V364-I368 WeakPolarHBondContact O-CG1 3.48Å; V364-I368 PolarHBondContact O-N 3.02Å; L365-I368 HydrophobicContact CD2-CD1 4.45Å; L365-I368 WeakPolarHBondContact O-CB 3.19Å; L365-I368 PolarHBondContact O-N 3Å; L365-I368 VanDerWaalsContact O-N 3.14Å; I368-G372 PolarHBondContact O-N 3.25Å; I368-L373 HydrophobicContact CG1-CB 4.47Å; I368-L373 HydrophobicContact CG1-CD1 4.23Å; I368-L373 HydrophobicContact CG2-CB 4.39Å; I368-L373 PolarHBondContact O-N 2.85Å; I368-K374 HydrophobicContact CG2-CG 4.26Å
369	D	84.1	Confident	85.8	Confident	79 Å²	79	72.1 Å²	72.1	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-71	-49.2	-177.7	-69	-22.6	0	0	0	111	R83 L365 M366 K371 G372	R83-D369 IonicContact NH2-OD1 2.79Å; R83-D369 IonicContact NH2-OD2 3.67Å; R83-D369 PolarHBondContact NH2-OD2 3.48Å; L365-D369 PolarHBondContact O-N 2.83Å; M366-D369 PolarHBondContact O-N 2.73Å; D369-K371 PolarHBondContact O-N 2.67Å; D369-G372 PolarHBondContact O-N 3.14Å
370	H	82.5	Confident	85.7	Confident	150 Å²	150	74.4 Å²	74.4	69%	0.694	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-36.6	-178.8	-77.5	96.8	0	0	0	113.9	M366	M366-H370 VanDerWaalsContact O-CB 3.3Å; M366-H370 WeakPolarHBondContact O-CB 3.31Å; M366-H370 PolarHBondContact O-N 2.87Å; M366-H370 PolarHBondContact O-ND1 3.44Å
371	K	77.9	Confident	85.5	Confident	138 Å²	138	72.4 Å²	72.4	60%	0.6	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	2.4	-179.1	-64.6	-172.9	176.4	-170.5	0	113.2	K367 D369 L373	K367-K371 VanDerWaalsContact O-CB 3.3Å; K367-K371 WeakPolarHBondContact O-CB 3.28Å; K367-K371 PolarHBondContact O-N 3.49Å; D369-K371 PolarHBondContact O-N 2.67Å; K371-L373 VanDerWaalsContact C-N 3.31Å; K371-L373 HydrophobicContact CB-CD1 4.21Å; K371-L373 HydrophobicContact CB-CD2 3.49Å; K371-L373 VanDerWaalsContact CB-CD2 3.49Å; K371-L373 HydrophobicContact CB-CG 3.66Å; K371-L373 HydrophobicContact CD-CD2 4.45Å; K371-L373 PolarHBondContact O-N 3.17Å
372	G	76.7	Confident	85.6	Confident	49 Å²	49	77.1 Å²	77.1	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	43	-178.2	0	0	0	0	0	112.3	I368 D369 K374	I368-G372 PolarHBondContact O-N 3.25Å; D369-G372 PolarHBondContact O-N 3.14Å; G372-K374 PolarHBondContact O-N 3.4Å
373	L	73.4	Confident	85.6	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.037	38%	0.377	C	S	.	.			trans	-76.3	-3.8	-170.5	-59.2	-175.2	0	0	0	114.1	I368 K371 R375 F378 W380	I368-L373 HydrophobicContact CG1-CB 4.47Å; I368-L373 HydrophobicContact CG1-CD1 4.23Å; I368-L373 HydrophobicContact CG2-CB 4.39Å; I368-L373 PolarHBondContact O-N 2.85Å; K371-L373 VanDerWaalsContact C-N 3.31Å; K371-L373 HydrophobicContact CB-CD1 4.21Å; K371-L373 HydrophobicContact CB-CD2 3.49Å; K371-L373 VanDerWaalsContact CB-CD2 3.49Å; K371-L373 HydrophobicContact CB-CG 3.66Å; K371-L373 HydrophobicContact CD-CD2 4.45Å; K371-L373 PolarHBondContact O-N 3.17Å; L373-R375 PolarHBondContact O-N 3.46Å; L373-F378 HydrophobicContact CB-CD1 4.35Å; L373-F378 HydrophobicContact CB-CE1 3.73Å; L373-F378 HydrophobicContact CB-CZ 3.82Å; L373-F378 HydrophobicContact CD1-CE1 3.96Å; L373-F378 HydrophobicContact CD1-CZ 3.51Å; L373-F378 HydrophobicContact CD2-CE1 4.23Å; L373-F378 HydrophobicContact CD2-CE2 3.65Å; L373-F378 HydrophobicContact CD2-CZ 3.43Å; L373-F378 VanDerWaalsContact CD2-CZ 3.43Å; L373-F378 HydrophobicContact CG-CE1 4.16Å; L373-F378 HydrophobicContact CG-CE2 4.45Å; L373-F378 HydrophobicContact CG-CZ 3.75Å; L373-W380 HydrophobicContact CD1-CD2 4.18Å; L373-W380 HydrophobicContact CD1-CE3 3.89Å; L373-W380 HydrophobicContact CD1-CZ3 4.28Å
374	K	72.3	Confident	85.5	Confident	96 Å²	96	80.5 Å²	80.5	42%	0.417	38%	0.379	S	S	.	.			trans	-73	50.1	171.6	-61.7	-177	177	-173.3	0	111.5	D48 N348 I368 G372	D48-K374 VanDerWaalsContact CG-NZ 3.27Å; D48-K374 IonicContact OD1-NZ 3.61Å; D48-K374 PolarHBondContact OD1-NZ 3.5Å; D48-K374 IonicContact OD2-NZ 2.98Å; D48-K374 PolarHBondContact OD2-NZ 2.82Å; N348-K374 HydrophobicContact CB-CG 4.47Å; I368-K374 HydrophobicContact CG2-CG 4.26Å; G372-K374 PolarHBondContact O-N 3.4Å
375	R	79	Confident	85.5	Confident	147 Å²	147	86.4 Å²	86.4	56%	0.555	41%	0.405	S	S	*	.			trans	-115.5	157.6	179.5	66.5	-176.3	174.3	134.1	-3.8	110.1	L373 F378 S417	L373-R375 PolarHBondContact O-N 3.46Å; R375-F378 HydrophobicContact CG-CB 3.98Å; R375-F378 HydrophobicContact CG-CG 4.34Å; R375-S417 WeakPolarHBondContact O-CB 3.2Å
376	R	86.8	Confident	85.5	Confident	197 Å²	197	91 Å²	91	74%	0.743	44%	0.437	S	S	*	.	S	Bend	trans	-68.9	157.5	174.9	-72.9	-175.1	132.5	177.3	-2.6	112	F378 D419	R376-F378 PolarHBondContact O-N 3.06Å; R376-D419 VanDerWaalsContact CA-OD2 3.32Å; R376-D419 WeakPolarHBondContact CA-OD2 3.44Å; R376-D419 WeakPolarHBondContact CB-OD2 3.29Å
377	N	88.5	Confident	85.3	Confident	123 Å²	123	91.2 Å²	91.2	66%	0.658	43%	0.432	S	S	*	.	S	Bend	trans	52.1	49.5	177.2	-64.4	-42.6	0	0	0	113.2	S417 D419	N377-S417 PolarHBondContact N-OG 2.89Å; N377-D419 PolarHBondContact N-OD1 2.69Å; N377-D419 PolarHBondContact N-OD2 2.63Å; N377-D419 PolarHBondContact OD1-OD2 2.98Å
378	F	89	Confident	85.1	Confident	11 Å²	11	89.5 Å²	89.5	5%	0.048	44%	0.436	C	S	.	.			trans	-119.6	127	-174.5	175.4	-106.7	0	0	0	112.3	L349 L373 R375 R376 W380 V416 S417 L420	L349-F378 HydrophobicContact CD2-CD1 4.28Å; L373-F378 HydrophobicContact CB-CD1 4.35Å; L373-F378 HydrophobicContact CB-CE1 3.73Å; L373-F378 HydrophobicContact CB-CZ 3.82Å; L373-F378 HydrophobicContact CD1-CE1 3.96Å; L373-F378 HydrophobicContact CD1-CZ 3.51Å; L373-F378 HydrophobicContact CD2-CE1 4.23Å; L373-F378 HydrophobicContact CD2-CE2 3.65Å; L373-F378 HydrophobicContact CD2-CZ 3.43Å; L373-F378 VanDerWaalsContact CD2-CZ 3.43Å; L373-F378 HydrophobicContact CG-CE1 4.16Å; L373-F378 HydrophobicContact CG-CE2 4.45Å; L373-F378 HydrophobicContact CG-CZ 3.75Å; R375-F378 HydrophobicContact CG-CB 3.98Å; R375-F378 HydrophobicContact CG-CG 4.34Å; R376-F378 PolarHBondContact O-N 3.06Å; F378-W380 HydrophobicContact CE1-CB 3.55Å; F378-W380 HydrophobicContact CE1-CG 4.47Å; F378-W380 HydrophobicContact CE2-CB 3.73Å; F378-W380 HydrophobicContact CZ-CB 3.07Å; F378-W380 HydrophobicContact CZ-CD2 4.39Å; F378-W380 AromaticContact CZ-CG 3.8Å; F378-W380 HydrophobicContact CZ-CG 3.8Å; F378-V416 CarbonylContact O-C 3.6Å; F378-V416 WeakPolarHBondContact O-CA 3.28Å; F378-S417 PolarHBondContact N-OG 3.36Å; F378-S417 PolarHBondContact O-N 2.99Å; F378-S417 PolarHBondContact O-OG 2.78Å; F378-L420 WeakPolarHBondContact O-CD1 3.45Å
379	W	92.3	Very high	85	Confident	75 Å²	75	89.9 Å²	89.9	28%	0.284	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.7	171.7	-162.4	-26.9	0	0	0	108.8	F383 Y414 V415 V416 L420 I438	W379-F383 HydrophobicContact CB-CZ 4.06Å; W379-F383 AromaticContact CD1-CZ 3.58Å; W379-F383 HydrophobicContact CD2-CZ 4.06Å; W379-F383 HydrophobicContact CG-CE2 4.36Å; W379-F383 AromaticContact CG-CZ 3.62Å; W379-F383 HydrophobicContact CG-CZ 3.62Å; W379-F383 AromaticContact NE1-CZ 3.99Å; W379-Y414 AromaticContact CD1-CD2 3.94Å; W379-Y414 AromaticContact CE2-CD2 3.79Å; W379-Y414 AromaticContact CE2-CE2 3.96Å; W379-Y414 HydrophobicContact CZ2-CD2 4.06Å; W379-Y414 AromaticContact CZ2-CE2 3.77Å; W379-Y414 HydrophobicContact CZ2-CE2 3.77Å; W379-Y414 AromaticContact NE1-CD2 3.08Å; W379-Y414 AromaticContact NE1-CE2 3.72Å; W379-Y414 AromaticContact NE1-CG 3.39Å; W379-V415 CarbonylContact C-O 3.59Å; W379-V415 WeakPolarHBondContact CA-O 3.02Å; W379-V416 HydrophobicContact CD2-CG2 4.07Å; W379-V416 HydrophobicContact CG-CG2 4.12Å; W379-V416 HydrophobicContact CZ2-CG2 4.32Å; W379-L420 HydrophobicContact CB-CD1 4.38Å; W379-I438 HydrophobicContact CH2-CG2 3.77Å; W379-I438 HydrophobicContact CZ2-CG2 3.47Å; W379-I438 VanDerWaalsContact CZ2-CG2 3.47Å
380	W	91.5	Very high	84.8	Confident	68 Å²	68	88.8 Å²	88.8	26%	0.258	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.2	-178	170.6	54.4	0	0	0	112.5	K367 L373 F378 Y414 V415	K367-W380 HydrophobicContact CB-CH2 3.85Å; K367-W380 HydrophobicContact CB-CZ2 4.38Å; K367-W380 HydrophobicContact CB-CZ3 4.5Å; K367-W380 HydrophobicContact CD-CH2 3.72Å; K367-W380 HydrophobicContact CD-CZ2 3.78Å; K367-W380 HydrophobicContact CG-CH2 4.45Å; L373-W380 HydrophobicContact CD1-CD2 4.18Å; L373-W380 HydrophobicContact CD1-CE3 3.89Å; L373-W380 HydrophobicContact CD1-CZ3 4.28Å; F378-W380 HydrophobicContact CE1-CB 3.55Å; F378-W380 HydrophobicContact CE1-CG 4.47Å; F378-W380 HydrophobicContact CE2-CB 3.73Å; F378-W380 HydrophobicContact CZ-CB 3.07Å; F378-W380 HydrophobicContact CZ-CD2 4.39Å; F378-W380 AromaticContact CZ-CG 3.8Å; F378-W380 HydrophobicContact CZ-CG 3.8Å; W380-Y414 CarbonylContact O-C 3.54Å; W380-Y414 VanDerWaalsContact O-CA 3.31Å; W380-Y414 WeakPolarHBondContact O-CA 3.48Å; W380-Y414 WeakPolarHBondContact O-CB 3.42Å; W380-V415 HydrophobicContact CE3-CB 4.01Å; W380-V415 HydrophobicContact CE3-CG2 3.78Å; W380-V415 HydrophobicContact CZ3-CG2 4.06Å; W380-V415 PolarHBondContact N-O 2.98Å; W380-V415 PolarHBondContact O-N 3.21Å
381	G	91.2	Very high	84.5	Confident	28 Å²	28	85 Å²	85	29%	0.289	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-168.6	179.4	0	0	0	0	0	109.1
382	N	91.1	Very high	84.2	Confident	108 Å²	108	80.7 Å²	80.7	58%	0.578	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	114.6	170.4	-174.9	13.1	0	0	0	109.4	A409 C410	N382-A409 CarbonylContact O-C 3.48Å; N382-A409 WeakPolarHBondContact O-CA 3.31Å; N382-C410 HydrophobicContact CB-CB 4.32Å; N382-C410 PolarHBondContact O-N 2.9Å; N382-C410 PolarHBondContact O-SG 3.22Å
383	F	91.5	Very high	84.3	Confident	72 Å²	72	79.6 Å²	79.6	32%	0.316	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.5	-178.6	-80.6	-105.3	0	0	0	111.5	W379 A407 F408 A409	W379-F383 HydrophobicContact CB-CZ 4.06Å; W379-F383 AromaticContact CD1-CZ 3.58Å; W379-F383 HydrophobicContact CD2-CZ 4.06Å; W379-F383 HydrophobicContact CG-CE2 4.36Å; W379-F383 AromaticContact CG-CZ 3.62Å; W379-F383 HydrophobicContact CG-CZ 3.62Å; W379-F383 AromaticContact NE1-CZ 3.99Å; F383-A407 HydrophobicContact CD1-CB 4.33Å; F383-F408 CarbonylContact C-O 3.6Å; F383-F408 VanDerWaalsContact CA-O 3.31Å; F383-F408 WeakPolarHBondContact CA-O 3.39Å; F383-F408 VanDerWaalsContact CD1-C 3.46Å; F383-A409 HydrophobicContact CD2-CB 4.41Å; F383-A409 HydrophobicContact CE1-CB 4.24Å; F383-A409 HydrophobicContact CE2-CB 4.11Å; F383-A409 HydrophobicContact CZ-CB 4.03Å
384	R	90.1	Very high	84.8	Confident	97 Å²	97	82.9 Å²	82.9	37%	0.366	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	146.9	166.8	-64.5	-179.1	-174.8	-108.4	-0.5	109	W387 A407 F408 C410	R384-W387 HydrophobicContact CB-CE3 4.43Å; R384-W387 HydrophobicContact CG-CE3 4.43Å; R384-A407 VanDerWaalsContact O-CA 3.24Å; R384-A407 WeakPolarHBondContact O-CA 3Å; R384-F408 HydrophobicContact CB-CD1 4.43Å; R384-F408 HydrophobicContact CB-CE1 3.93Å; R384-F408 HydrophobicContact CB-CE2 4.34Å; R384-F408 HydrophobicContact CB-CZ 3.87Å; R384-F408 HydrophobicContact CG-CZ 4.44Å; R384-F408 PolarHBondContact N-O 2.91Å; R384-F408 PolarHBondContact O-N 2.97Å; R384-F408 VanDerWaalsContact O-N 3.11Å; R384-C410 PolarHBondContact NE-SG 2.81Å
385	Q	90.2	Very high	85.3	Confident	147 Å²	147	83.8 Å²	83.8	69%	0.687	40%	0.399	S	S	*	.			trans	-130.9	147.2	178.1	-60.8	-177.4	6.8	0	0	109	W387 A407	Q385-W387 PolarHBondContact O-N 3.03Å; Q385-A407 HydrophobicContact CG-CB 4.08Å
386	S	86.4	Confident	85.5	Confident	102 Å²	102	78.3 Å²	78.3	71%	0.713	38%	0.38	S	S	*	.	S	Bend	trans	51	33.7	176.8	-53.4	0	0	0	0	113.5	A388	S386-A388 PolarHBondContact O-N 2.85Å
387	W	84.9	Confident	85.3	Confident	117 Å²	117	69.5 Å²	69.5	44%	0.443	35%	0.348	S	S	.	.			trans	-73.3	128.6	179.3	-163.3	-93.1	0	0	0	109.1	R384 Q385 A404 Y405 F408	R384-W387 HydrophobicContact CB-CE3 4.43Å; R384-W387 HydrophobicContact CG-CE3 4.43Å; Q385-W387 PolarHBondContact O-N 3.03Å; W387-A404 CarbonylContact O-C 3.54Å; W387-A404 WeakPolarHBondContact O-CA 3.18Å; W387-A404 WeakPolarHBondContact O-CB 3.45Å; W387-Y405 WeakPolarHBondContact O-CD2 3.21Å; W387-Y405 PolarHBondContact O-N 3.45Å; W387-F408 HydrophobicContact CB-CE1 3.64Å; W387-F408 HydrophobicContact CB-CZ 3.96Å; W387-F408 HydrophobicContact CG-CE1 4.22Å; W387-F408 HydrophobicContact CG-CZ 4.04Å
388	A	84.2	Confident	84.7	Confident	65 Å²	65	68.5 Å²	68.5	54%	0.537	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-59.1	145.9	179	0	0	0	0	0	111.2	S386 D390 P403	S386-A388 PolarHBondContact O-N 2.85Å; A388-D390 PolarHBondContact O-N 3.18Å; A388-P403 WeakPolarHBondContact CA-O 3.37Å
389	V	81.7	Confident	84.2	Confident	12 Å²	12	74.1 Å²	74.1	7%	0.073	37%	0.368	C	S	.	.			trans	-85	109.8	177.8	175.6	0	0	0	0	108.4	R391 E397 Y400 S402 P403 Y405	V389-R391 PolarHBondContact O-N 2.87Å; V389-E397 HydrophobicContact CG1-CB 3.94Å; V389-E397 HydrophobicContact CG1-CG 4.26Å; V389-Y400 HydrophobicContact CG1-CD1 4.42Å; V389-Y400 HydrophobicContact CG2-CD1 3.51Å; V389-Y400 HydrophobicContact CG2-CE1 3.96Å; V389-S402 WeakPolarHBondContact CG2-O 3.08Å; V389-P403 PolarHBondContact N-O 2.79Å; V389-Y405 HydrophobicContact CB-CD2 4.3Å; V389-Y405 HydrophobicContact CB-CE2 3.86Å; V389-Y405 HydrophobicContact CG1-CE1 4.38Å; V389-Y405 HydrophobicContact CG1-CE2 4.07Å; V389-Y405 HydrophobicContact CG2-CD1 3.81Å; V389-Y405 HydrophobicContact CG2-CD2 3.44Å; V389-Y405 VanDerWaalsContact CG2-CD2 3.44Å; V389-Y405 HydrophobicContact CG2-CE1 3.77Å; V389-Y405 HydrophobicContact CG2-CE2 3.4Å; V389-Y405 VanDerWaalsContact CG2-CE2 3.4Å; V389-Y405 HydrophobicContact CG2-CG 3.72Å
390	D	80.6	Confident	83.6	Confident	56 Å²	56	72.6 Å²	72.6	30%	0.299	36%	0.363	S	S	.	.			trans	-62	123.9	172.7	-61.3	-69.7	0	0	0	109	A388 I392 W395 Q396 E397	A388-D390 PolarHBondContact O-N 3.18Å; D390-I392 VanDerWaalsContact C-N 3.34Å; D390-W395 HydrophobicContact CB-CB 3.99Å; D390-Q396 CarbonylContact O-C 3.6Å; D390-Q396 VanDerWaalsContact O-CA 3.31Å; D390-Q396 WeakPolarHBondContact O-CA 3.41Å; D390-E397 PolarHBondContact O-N 2.82Å
391	R	74.6	Confident	83	Confident	69 Å²	69	72.3 Å²	72.3	26%	0.26	37%	0.374	S	S	.	.			trans	-94.5	4.3	179.1	-64.1	-60.4	178.2	-176.6	-3.2	113.5	V389 Q396 E397 L398 Y400 S402	V389-R391 PolarHBondContact O-N 2.87Å; R391-Q396 VanDerWaalsContact O-CG 3.3Å; R391-Q396 WeakPolarHBondContact O-CG 3.44Å; R391-Q396 PolarHBondContact O-NE2 3.08Å; R391-E397 WeakPolarHBondContact CD-O 3.44Å; R391-E397 PolarHBondContact NH1-O 2.87Å; R391-L398 WeakPolarHBondContact O-CD2 3.03Å; R391-Y400 VanDerWaalsContact CZ-O 3.25Å; R391-Y400 PolarHBondContact NH1-O 2.75Å; R391-Y400 PolarHBondContact NH2-O 2.85Å; R391-S402 PolarHBondContact NH2-O 2.81Å; R391-S402 VanDerWaalsContact NH2-O 3.14Å
392	I	72.3	Confident	82.5	Confident	48 Å²	48	73 Å²	73	25%	0.246	38%	0.375	C	S	.	.	S	Bend	trans	-159.4	167.5	-160.4	68.1	-135.2	0	0	0	110.4	L180 E218 D390 Q396	L180-I392 HydrophobicContact CB-CD1 4.46Å; L180-I392 HydrophobicContact CD1-CB 3.67Å; L180-I392 HydrophobicContact CD1-CD1 3.24Å; L180-I392 HydrophobicContact CD1-CG1 3.38Å; L180-I392 HydrophobicContact CD1-CG2 3.93Å; L180-I392 HydrophobicContact CD2-CD1 3.15Å; L180-I392 HydrophobicContact CD2-CG1 4.27Å; L180-I392 HydrophobicContact CG-CD1 3.69Å; L180-I392 HydrophobicContact CG-CG1 4.35Å; E218-I392 VanDerWaalsContact OE2-CB 3.22Å; E218-I392 WeakPolarHBondContact OE2-CB 3.02Å; D390-I392 VanDerWaalsContact C-N 3.34Å; I392-Q396 VanDerWaalsContact C-CB 3.48Å; I392-Q396 WeakPolarHBondContact O-CA 3.36Å; I392-Q396 WeakPolarHBondContact O-CB 3.28Å; I392-Q396 PolarHBondContact O-N 3.49Å; I392-Q396 VanDerWaalsContact O-N 3.17Å
393	G	78.6	Confident	81.9	Confident	26 Å²	26	70.5 Å²	70.5	27%	0.268	36%	0.364	S	S	.	.	S	Bend	trans	63.9	-162.6	177	0	0	0	0	0	115.1	E218 R328 W395 Q396	E218-G393 PolarHBondContact OE1-N 3.34Å; E218-G393 PolarHBondContact OE2-N 2.7Å; R328-G393 PolarHBondContact NH2-O 2.94Å; G393-W395 PolarHBondContact O-N 3.05Å; G393-Q396 WeakPolarHBondContact O-CB 3.47Å; G393-Q396 PolarHBondContact O-N 3.19Å; G393-Q396 VanDerWaalsContact O-N 3.13Å
394	K	83.3	Confident	81.6	Confident	77 Å²	77	68.4 Å²	68.4	34%	0.335	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.5	-176.3	-179.3	174.4	174.2	180	0	113.5	Y106 Y327 R328	Y106-K394 HydrophobicContact CD1-CB 4.39Å; Y106-K394 HydrophobicContact CD1-CD 4.48Å; Y106-K394 HydrophobicContact CD1-CG 3.91Å; Y106-K394 HydrophobicContact CD2-CB 4.36Å; Y106-K394 HydrophobicContact CE1-CB 3.85Å; Y106-K394 HydrophobicContact CE1-CD 3.91Å; Y106-K394 HydrophobicContact CE1-CG 3.61Å; Y106-K394 VanDerWaalsContact CE2-CA 3.42Å; Y106-K394 HydrophobicContact CE2-CB 3.79Å; Y106-K394 HydrophobicContact CE2-CG 4.37Å; Y106-K394 HydrophobicContact CG-CG 4.42Å; Y327-K394 HydrophobicContact CD1-CG 3.95Å; Y327-K394 HydrophobicContact CE1-CD 4.31Å; Y327-K394 HydrophobicContact CE1-CG 3.58Å; Y327-K394 WeakPolarHBondContact CE1-O 3.49Å; R328-K394 PolarHBondContact NH1-O 2.95Å
395	W	84.3	Confident	81.3	Confident	114 Å²	114	64.1 Å²	64.1	43%	0.432	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6.7	-173.8	-48.3	102.6	0	0	0	113.2	Y327 D390 G393 E397	Y327-W395 HydrophobicContact CE1-CE3 4.49Å; Y327-W395 AromaticContact CZ-CZ3 3.92Å; Y327-W395 WeakPolarHBondContact OH-CH2 3.33Å; Y327-W395 WeakPolarHBondContact OH-CZ3 3.38Å; D390-W395 HydrophobicContact CB-CB 3.99Å; G393-W395 PolarHBondContact O-N 3.05Å; W395-E397 PolarHBondContact O-N 2.65Å
396	Q	82.8	Confident	81.3	Confident	32 Å²	32	60.8 Å²	60.8	15%	0.15	34%	0.336	C	S	.	.			trans	-45.8	131.5	-179.2	174.3	167.8	60.6	0	0	112.4	R328 D390 R391 I392 G393 L398 Q435	R328-Q396 PolarHBondContact NH1-O 3.12Å; D390-Q396 CarbonylContact O-C 3.6Å; D390-Q396 VanDerWaalsContact O-CA 3.31Å; D390-Q396 WeakPolarHBondContact O-CA 3.41Å; R391-Q396 VanDerWaalsContact O-CG 3.3Å; R391-Q396 WeakPolarHBondContact O-CG 3.44Å; R391-Q396 PolarHBondContact O-NE2 3.08Å; I392-Q396 VanDerWaalsContact C-CB 3.48Å; I392-Q396 WeakPolarHBondContact O-CA 3.36Å; I392-Q396 WeakPolarHBondContact O-CB 3.28Å; I392-Q396 PolarHBondContact O-N 3.49Å; I392-Q396 VanDerWaalsContact O-N 3.17Å; G393-Q396 WeakPolarHBondContact O-CB 3.47Å; G393-Q396 PolarHBondContact O-N 3.19Å; G393-Q396 VanDerWaalsContact O-N 3.13Å; Q396-L398 HydrophobicContact CG-CD2 3.89Å; Q396-L398 HydrophobicContact CG-CG 3.84Å; Q396-Q435 WeakPolarHBondContact O-CG 3.26Å
397	E	83.1	Confident	81.5	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.061	33%	0.325	C	S	.	.			trans	-135	111.1	171.9	177.8	55.1	-107.8	0	0	109.1	V389 D390 R391 W395 E399 Y405 Y434 Q435	V389-E397 HydrophobicContact CG1-CB 3.94Å; V389-E397 HydrophobicContact CG1-CG 4.26Å; D390-E397 PolarHBondContact O-N 2.82Å; R391-E397 WeakPolarHBondContact CD-O 3.44Å; R391-E397 PolarHBondContact NH1-O 2.87Å; W395-E397 PolarHBondContact O-N 2.65Å; E397-E399 PolarHBondContact OE1-N 2.72Å; E397-Y405 WeakPolarHBondContact CB-OH 2.96Å; E397-Y405 HydrophobicContact CG-CE1 4.35Å; E397-Y405 WeakPolarHBondContact CG-OH 3.2Å; E397-Y434 VanDerWaalsContact CD-CD1 3.48Å; E397-Y434 HydrophobicContact CG-CD1 4.13Å; E397-Y434 VanDerWaalsContact OE2-CA 3.25Å; E397-Y434 WeakPolarHBondContact OE2-CA 3.19Å; E397-Y434 WeakPolarHBondContact OE2-CB 3.2Å; E397-Y434 WeakPolarHBondContact OE2-CD1 3.42Å; E397-Q435 PolarHBondContact OE2-N 3.12Å
398	L	75.6	Confident	81.7	Confident	102 Å²	102	53.9 Å²	53.9	53%	0.534	31%	0.307	S	S	.	.	S	Bend	trans	-92.7	-25.9	-174.2	-64	178.9	0	0	0	112.3	R391 Q396	R391-L398 WeakPolarHBondContact O-CD2 3.03Å; Q396-L398 HydrophobicContact CG-CD2 3.89Å; Q396-L398 HydrophobicContact CG-CG 3.84Å
399	E	77.4	Confident	82	Confident	129 Å²	129	50.8 Å²	50.8	60%	0.603	28%	0.281	S	S	*	.	S	Bend	trans	-97.8	-10.9	-169.7	-58.1	-172.4	-175.4	0	0	113.1	E397 A401 K432	E397-E399 PolarHBondContact OE1-N 2.72Å; E399-A401 PolarHBondContact O-N 2.96Å; E399-K432 WeakPolarHBondContact OE2-CE 3.5Å; E399-K432 IonicContact OE2-NZ 2.72Å; E399-K432 PolarHBondContact OE2-NZ 2.64Å
400	Y	80.5	Confident	82.2	Confident	43 Å²	43	50.6 Å²	50.6	17%	0.169	28%	0.281	C	S	.	.			trans	-77.3	116.9	179.7	-168	-105.7	0	0	0	111.2	V389 R391 S402 Y405 P406 Y434	V389-Y400 HydrophobicContact CG1-CD1 4.42Å; V389-Y400 HydrophobicContact CG2-CD1 3.51Å; V389-Y400 HydrophobicContact CG2-CE1 3.96Å; R391-Y400 VanDerWaalsContact CZ-O 3.25Å; R391-Y400 PolarHBondContact NH1-O 2.75Å; R391-Y400 PolarHBondContact NH2-O 2.85Å; Y400-S402 WeakPolarHBondContact CD1-O 3.5Å; Y400-S402 VanDerWaalsContact CE1-CB 3.44Å; Y400-S402 PolarHBondContact O-N 2.88Å; Y400-Y405 AromaticContact CD1-CD1 3.72Å; Y400-Y405 HydrophobicContact CD1-CD1 3.72Å; Y400-Y405 AromaticContact CD1-CE1 3.76Å; Y400-Y405 HydrophobicContact CD1-CE1 3.76Å; Y400-Y405 HydrophobicContact CD2-CD1 4.46Å; Y400-Y405 HydrophobicContact CD2-CE1 4.37Å; Y400-Y405 AromaticContact CE1-CD1 3.6Å; Y400-Y405 HydrophobicContact CE1-CD1 3.6Å; Y400-Y405 HydrophobicContact CE1-CE1 4.14Å; Y400-Y405 HydrophobicContact CE1-CG 4.35Å; Y400-Y405 HydrophobicContact CE2-CD1 4.43Å; Y400-Y405 HydrophobicContact CG-CD1 4.15Å; Y400-Y405 AromaticContact CG-CE1 3.88Å; Y400-Y405 HydrophobicContact CG-CE1 3.88Å; Y400-P406 WeakPolarHBondContact OH-CD 3.16Å; Y400-Y434 HydrophobicContact CD2-CD1 4.03Å; Y400-Y434 HydrophobicContact CD2-CD2 4.16Å; Y400-Y434 AromaticContact CD2-CE1 3.69Å; Y400-Y434 HydrophobicContact CD2-CE1 3.69Å; Y400-Y434 AromaticContact CD2-CE2 3.85Å; Y400-Y434 HydrophobicContact CD2-CE2 3.85Å; Y400-Y434 HydrophobicContact CD2-CG 4.23Å; Y400-Y434 AromaticContact CD2-CZ 3.59Å; Y400-Y434 HydrophobicContact CE2-CE2 4.21Å; Y400-Y434 HydrophobicContact CG-CD1 4.5Å; Y400-Y434 HydrophobicContact CG-CE1 4.33Å
401	A	79.3	Confident	82.3	Confident	61 Å²	61	49.1 Å²	49.1	50%	0.504	28%	0.279	S	S	.	.			trans	-82.6	-0.7	-170.1	0	0	0	0	0	115.6	V257 L258 E399	V257-A401 HydrophobicContact CG1-CB 3.86Å; L258-A401 VanDerWaalsContact CD1-C 3.4Å; L258-A401 WeakPolarHBondContact CD1-O 2.9Å; L258-A401 WeakPolarHBondContact CD2-O 3.37Å; L258-A401 WeakPolarHBondContact CG-O 3.35Å; E399-A401 PolarHBondContact O-N 2.96Å
402	S	80.8	Confident	82.7	Confident	43 Å²	43	49.3 Å²	49.3	30%	0.301	29%	0.291	S	S	.	.	S	Bend	trans	-101.6	152.1	173.6	166.3	0	0	0	0	110.5	L258 V389 R391 Y400 A404	L258-S402 WeakPolarHBondContact CD1-O 3.48Å; V389-S402 WeakPolarHBondContact CG2-O 3.08Å; R391-S402 PolarHBondContact NH2-O 2.81Å; R391-S402 VanDerWaalsContact NH2-O 3.14Å; Y400-S402 WeakPolarHBondContact CD1-O 3.5Å; Y400-S402 VanDerWaalsContact CE1-CB 3.44Å; Y400-S402 PolarHBondContact O-N 2.88Å; S402-A404 PolarHBondContact O-N 2.87Å; S402-A404 PolarHBondContact OG-N 2.83Å; S402-A404 PolarHBondContact OG-O 2.84Å
403	P	76.8	Confident	83.7	Confident	55 Å²	55	48 Å²	48	36%	0.357	29%	0.288	S	S	.	.	S	Bend	trans	-80.1	-13.6	179.6	31.9	-25.9	0	0	0	111.7	L258 A388 V389	L258-P403 HydrophobicContact CD1-CB 4.48Å; L258-P403 HydrophobicContact CD2-CB 4.16Å; L258-P403 HydrophobicContact CD2-CG 3.96Å; A388-P403 WeakPolarHBondContact CA-O 3.37Å; V389-P403 PolarHBondContact N-O 2.79Å
404	A	85.9	Confident	84.4	Confident	29 Å²	29	46.9 Å²	46.9	24%	0.24	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-137.6	147.5	176.4	0	0	0	0	0	110.7	W387 S402	W387-A404 CarbonylContact O-C 3.54Å; W387-A404 WeakPolarHBondContact O-CA 3.18Å; W387-A404 WeakPolarHBondContact O-CB 3.45Å; S402-A404 PolarHBondContact O-N 2.87Å; S402-A404 PolarHBondContact OG-N 2.83Å; S402-A404 PolarHBondContact OG-O 2.84Å
405	Y	85	Confident	85	Confident	6 Å²	6	43.4 Å²	43.4	2%	0.024	26%	0.262	C	S	.	.			trans	-80.5	151.5	179.5	-63.9	-75.3	0	0	0	112.4	W387 V389 E397 Y400 K439	W387-Y405 WeakPolarHBondContact O-CD2 3.21Å; W387-Y405 PolarHBondContact O-N 3.45Å; V389-Y405 HydrophobicContact CB-CD2 4.3Å; V389-Y405 HydrophobicContact CB-CE2 3.86Å; V389-Y405 HydrophobicContact CG1-CE1 4.38Å; V389-Y405 HydrophobicContact CG1-CE2 4.07Å; V389-Y405 HydrophobicContact CG2-CD1 3.81Å; V389-Y405 HydrophobicContact CG2-CD2 3.44Å; V389-Y405 VanDerWaalsContact CG2-CD2 3.44Å; V389-Y405 HydrophobicContact CG2-CE1 3.77Å; V389-Y405 HydrophobicContact CG2-CE2 3.4Å; V389-Y405 VanDerWaalsContact CG2-CE2 3.4Å; V389-Y405 HydrophobicContact CG2-CG 3.72Å; E397-Y405 WeakPolarHBondContact CB-OH 2.96Å; E397-Y405 HydrophobicContact CG-CE1 4.35Å; E397-Y405 WeakPolarHBondContact CG-OH 3.2Å; Y400-Y405 AromaticContact CD1-CD1 3.72Å; Y400-Y405 HydrophobicContact CD1-CD1 3.72Å; Y400-Y405 AromaticContact CD1-CE1 3.76Å; Y400-Y405 HydrophobicContact CD1-CE1 3.76Å; Y400-Y405 HydrophobicContact CD2-CD1 4.46Å; Y400-Y405 HydrophobicContact CD2-CE1 4.37Å; Y400-Y405 AromaticContact CE1-CD1 3.6Å; Y400-Y405 HydrophobicContact CE1-CD1 3.6Å; Y400-Y405 HydrophobicContact CE1-CE1 4.14Å; Y400-Y405 HydrophobicContact CE1-CG 4.35Å; Y400-Y405 HydrophobicContact CE2-CD1 4.43Å; Y400-Y405 HydrophobicContact CG-CD1 4.15Å; Y400-Y405 AromaticContact CG-CE1 3.88Å; Y400-Y405 HydrophobicContact CG-CE1 3.88Å; Y405-K439 HydrophobicContact CD1-CD 3.2Å; Y405-K439 HydrophobicContact CD2-CD 4.27Å; Y405-K439 HydrophobicContact CE1-CD 3.42Å; Y405-K439 VanDerWaalsContact CE1-CD 3.42Å; Y405-K439 HydrophobicContact CE2-CD 4.43Å; Y405-K439 HydrophobicContact CG-CD 3.6Å
406	P	89	Confident	85.5	Confident	78 Å²	78	38 Å²	38	51%	0.506	24%	0.241	S	C	.	.			trans	-62.7	174.5	166.5	30.9	-38.7	0	0	0	110.1	Y400 F408	Y400-P406 WeakPolarHBondContact OH-CD 3.16Å; P406-F408 WeakPolarHBondContact O-CD1 3.21Å; P406-F408 PolarHBondContact O-N 2.83Å
407	A	90.3	Very high	86.1	Confident	59 Å²	59	36.6 Å²	36.6	49%	0.488	24%	0.235	S	C	.	.			trans	-59.2	130.1	178.2	0	0	0	0	0	111.8	F383 R384 Q385	F383-A407 HydrophobicContact CD1-CB 4.33Å; R384-A407 VanDerWaalsContact O-CA 3.24Å; R384-A407 WeakPolarHBondContact O-CA 3Å; Q385-A407 HydrophobicContact CG-CB 4.08Å
408	F	89.8	Confident	86.7	Confident	14 Å²	14	38.1 Å²	38.1	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.8	177.6	66.8	-81.7	0	0	0	110.3	F383 R384 W387 P406 V436 I438 K439	F383-F408 CarbonylContact C-O 3.6Å; F383-F408 VanDerWaalsContact CA-O 3.31Å; F383-F408 WeakPolarHBondContact CA-O 3.39Å; F383-F408 VanDerWaalsContact CD1-C 3.46Å; R384-F408 HydrophobicContact CB-CD1 4.43Å; R384-F408 HydrophobicContact CB-CE1 3.93Å; R384-F408 HydrophobicContact CB-CE2 4.34Å; R384-F408 HydrophobicContact CB-CZ 3.87Å; R384-F408 HydrophobicContact CG-CZ 4.44Å; R384-F408 PolarHBondContact N-O 2.91Å; R384-F408 PolarHBondContact O-N 2.97Å; R384-F408 VanDerWaalsContact O-N 3.11Å; W387-F408 HydrophobicContact CB-CE1 3.64Å; W387-F408 HydrophobicContact CB-CZ 3.96Å; W387-F408 HydrophobicContact CG-CE1 4.22Å; W387-F408 HydrophobicContact CG-CZ 4.04Å; P406-F408 WeakPolarHBondContact O-CD1 3.21Å; P406-F408 PolarHBondContact O-N 2.83Å; F408-V436 HydrophobicContact CD2-CG1 3.65Å; F408-V436 HydrophobicContact CE2-CG1 3.57Å; F408-V436 HydrophobicContact CZ-CG1 4.42Å; F408-I438 HydrophobicContact CB-CB 4.36Å; F408-I438 HydrophobicContact CB-CG2 3.94Å; F408-K439 HydrophobicContact CB-CG 4.14Å; F408-K439 HydrophobicContact CD1-CD 4.46Å; F408-K439 HydrophobicContact CG-CD 4.49Å; F408-K439 VanDerWaalsContact CG-CE 3.44Å; F408-K439 HydrophobicContact CG-CG 4.26Å
409	A	90.3	Very high	87.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	160.5	176.1	0	0	0	0	0	111.4	N382 F383 Y414 I438	N382-A409 CarbonylContact O-C 3.48Å; N382-A409 WeakPolarHBondContact O-CA 3.31Å; F383-A409 HydrophobicContact CD2-CB 4.41Å; F383-A409 HydrophobicContact CE1-CB 4.24Å; F383-A409 HydrophobicContact CE2-CB 4.11Å; F383-A409 HydrophobicContact CZ-CB 4.03Å; A409-Y414 HydrophobicContact CB-CD1 3.78Å; A409-Y414 HydrophobicContact CB-CG 3.94Å; A409-I438 VanDerWaalsContact C-CD1 3.47Å; A409-I438 HydrophobicContact CB-CD1 4.14Å; A409-I438 HydrophobicContact CB-CG2 4Å; A409-I438 WeakPolarHBondContact O-CD1 3.39Å
410	C	86.1	Confident	88.4	Confident	9 Å²	9	30 Å²	30	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	150	173.7	-66.8	0	0	0	0	111.4	N382 R384 S412	N382-C410 HydrophobicContact CB-CB 4.32Å; N382-C410 PolarHBondContact O-N 2.9Å; N382-C410 PolarHBondContact O-SG 3.22Å; R384-C410 PolarHBondContact NE-SG 2.81Å; C410-S412 PolarHBondContact O-N 2.9Å
411	G	81.9	Confident	89.2	Confident	25 Å²	25	28 Å²	28	26%	0.258	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-37.7	-177.9	0	0	0	0	0	114.7	K352 G413	K352-G411 PolarHBondContact NZ-O 2.83Å; G411-G413 PolarHBondContact O-N 2.98Å
412	S	84.4	Confident	90	Very high	73 Å²	73	29.2 Å²	29.2	51%	0.51	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	-27.7	-174.9	60.5	0	0	0	0	114.7	T353 C410	T353-S412 PolarHBondContact OG1-O 2.78Å; C410-S412 PolarHBondContact O-N 2.9Å
413	G	92.3	Very high	90.7	Very high	19 Å²	19	33.8 Å²	33.8	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	153.5	164.2	0	0	0	0	0	114.9	K352 G411	K352-G413 CarbonylContact O-C 3.48Å; K352-G413 WeakPolarHBondContact O-CA 3.36Å; G411-G413 PolarHBondContact O-N 2.98Å
414	Y	94.1	Very high	91.6	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	162.7	178.6	57.1	-97.2	0	0	0	111	L334 Y338 L351 K352 W379 W380 A409 V416 I438	L334-Y414 VanDerWaalsContact CD2-OH 3.23Å; L334-Y414 WeakPolarHBondContact CD2-OH 3.35Å; Y338-Y414 PolarHBondContact OH-OH 2.85Å; Y338-Y414 VanDerWaalsContact OH-OH 3.09Å; L351-Y414 CarbonylContact C-O 3.59Å; L351-Y414 WeakPolarHBondContact CA-O 3.11Å; K352-Y414 HydrophobicContact CB-CD2 4.26Å; K352-Y414 HydrophobicContact CB-CE1 4Å; K352-Y414 HydrophobicContact CB-CE2 3.7Å; K352-Y414 HydrophobicContact CD-CD1 4.31Å; K352-Y414 HydrophobicContact CD-CE1 3.56Å; K352-Y414 HydrophobicContact CG-CE1 4.12Å; K352-Y414 PolarHBondContact N-O 3.14Å; K352-Y414 PolarHBondContact O-N 3.11Å; W379-Y414 AromaticContact CD1-CD2 3.94Å; W379-Y414 AromaticContact CE2-CD2 3.79Å; W379-Y414 AromaticContact CE2-CE2 3.96Å; W379-Y414 HydrophobicContact CZ2-CD2 4.06Å; W379-Y414 AromaticContact CZ2-CE2 3.77Å; W379-Y414 HydrophobicContact CZ2-CE2 3.77Å; W379-Y414 AromaticContact NE1-CD2 3.08Å; W379-Y414 AromaticContact NE1-CE2 3.72Å; W379-Y414 AromaticContact NE1-CG 3.39Å; W380-Y414 CarbonylContact O-C 3.54Å; W380-Y414 VanDerWaalsContact O-CA 3.31Å; W380-Y414 WeakPolarHBondContact O-CA 3.48Å; W380-Y414 WeakPolarHBondContact O-CB 3.42Å; A409-Y414 HydrophobicContact CB-CD1 3.78Å; A409-Y414 HydrophobicContact CB-CG 3.94Å; Y414-V416 HydrophobicContact CD2-CG2 3.44Å; Y414-V416 VanDerWaalsContact CD2-CG2 3.44Å; Y414-V416 HydrophobicContact CE2-CG2 3.47Å; Y414-V416 VanDerWaalsContact CE2-CG2 3.47Å; Y414-I438 HydrophobicContact CD1-CD1 3.81Å; Y414-I438 HydrophobicContact CD1-CG1 4.27Å; Y414-I438 HydrophobicContact CE1-CD1 3.38Å; Y414-I438 HydrophobicContact CE1-CG1 3.44Å; Y414-I438 VanDerWaalsContact CE1-CG1 3.44Å
415	V	94.6	Very high	92	Very high	4 Å²	4	31 Å²	31	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.4	178.8	-177.2	0	0	0	0	109.6	L349 L350 L351 W379 W380	L349-V415 HydrophobicContact CB-CG1 3.88Å; L349-V415 HydrophobicContact CD1-CG1 4.07Å; L349-V415 HydrophobicContact CD2-CG1 4.13Å; L349-V415 HydrophobicContact CG-CG1 4.24Å; L350-V415 CarbonylContact O-C 3.58Å; L350-V415 VanDerWaalsContact O-CA 3.3Å; L350-V415 WeakPolarHBondContact O-CA 3.38Å; L351-V415 HydrophobicContact CB-CG2 4.23Å; L351-V415 HydrophobicContact CD1-CG2 3.92Å; L351-V415 HydrophobicContact CG-CG2 4.04Å; W379-V415 CarbonylContact C-O 3.59Å; W379-V415 WeakPolarHBondContact CA-O 3.02Å; W380-V415 HydrophobicContact CE3-CB 4.01Å; W380-V415 HydrophobicContact CE3-CG2 3.78Å; W380-V415 HydrophobicContact CZ3-CG2 4.06Å; W380-V415 PolarHBondContact N-O 2.98Å; W380-V415 PolarHBondContact O-N 3.21Å
416	V	95.1	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140	-179.7	-169.3	0	0	0	0	109.6	L349 L350 F378 W379 Y414 L420 V421	L349-V416 WeakPolarHBondContact CA-O 3.31Å; L350-V416 PolarHBondContact N-O 2.92Å; L350-V416 PolarHBondContact O-N 2.82Å; F378-V416 CarbonylContact O-C 3.6Å; F378-V416 WeakPolarHBondContact O-CA 3.28Å; W379-V416 HydrophobicContact CD2-CG2 4.07Å; W379-V416 HydrophobicContact CG-CG2 4.12Å; W379-V416 HydrophobicContact CZ2-CG2 4.32Å; Y414-V416 HydrophobicContact CD2-CG2 3.44Å; Y414-V416 VanDerWaalsContact CD2-CG2 3.44Å; Y414-V416 HydrophobicContact CE2-CG2 3.47Å; Y414-V416 VanDerWaalsContact CE2-CG2 3.47Å; V416-L420 HydrophobicContact CG1-CB 3.56Å; V416-L420 HydrophobicContact CG1-CD1 4.05Å; V416-L420 HydrophobicContact CG1-CG 4.46Å; V416-V421 HydrophobicContact CB-CG2 4.01Å; V416-V421 HydrophobicContact CG1-CG2 3.87Å
417	S	95.4	Very high	92.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	148.4	175.1	60.1	0	0	0	0	112.7	R375 N377 F378 D419 L420 V421	R375-S417 WeakPolarHBondContact O-CB 3.2Å; N377-S417 PolarHBondContact N-OG 2.89Å; F378-S417 PolarHBondContact N-OG 3.36Å; F378-S417 PolarHBondContact O-N 2.99Å; F378-S417 PolarHBondContact O-OG 2.78Å; S417-D419 VanDerWaalsContact C-N 3.25Å; S417-D419 WeakPolarHBondContact CB-OD1 3.22Å; S417-D419 PolarHBondContact O-N 2.73Å; S417-D419 PolarHBondContact OG-OD1 3.15Å; S417-L420 PolarHBondContact O-N 3.09Å; S417-V421 PolarHBondContact O-N 2.83Å; S417-V421 VanDerWaalsContact O-N 3.09Å
418	H	95.1	Very high	92.7	Very high	45 Å²	45	30.5 Å²	30.5	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-51.4	-41.3	-179.1	174.1	-80.4	0	0	0	113.6	F347 N348 L420 V421 Q422	F347-H418 HydrophobicContact CD2-CB 4.18Å; F347-H418 AromaticContact CE1-CD2 3.76Å; F347-H418 HydrophobicContact CE2-CB 3.97Å; F347-H418 AromaticContact CE2-CD2 3.75Å; F347-H418 AromaticContact CZ-CD2 3.61Å; F347-H418 VanDerWaalsContact O-CB 3.25Å; F347-H418 WeakPolarHBondContact O-CB 3.45Å; F347-H418 PolarHBondContact O-CD2 3.22Å; N348-H418 PolarHBondContact O-N 2.88Å; N348-H418 VanDerWaalsContact O-N 3.13Å; H418-L420 VanDerWaalsContact C-N 3.34Å; H418-L420 PolarHBondContact O-N 2.76Å; H418-V421 PolarHBondContact O-N 2.79Å; H418-Q422 PolarHBondContact CE1-OE1 3.16Å; H418-Q422 VanDerWaalsContact O-CB 3.29Å; H418-Q422 WeakPolarHBondContact O-CB 3.34Å; H418-Q422 PolarHBondContact O-N 3.42Å
419	D	95.2	Very high	92.5	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.144	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-34	-179.8	63.4	-45.1	0	0	0	113.4	R376 N377 S417 W423	R376-D419 VanDerWaalsContact CA-OD2 3.32Å; R376-D419 WeakPolarHBondContact CA-OD2 3.44Å; R376-D419 WeakPolarHBondContact CB-OD2 3.29Å; N377-D419 PolarHBondContact N-OD1 2.69Å; N377-D419 PolarHBondContact N-OD2 2.63Å; N377-D419 PolarHBondContact OD1-OD2 2.98Å; S417-D419 VanDerWaalsContact C-N 3.25Å; S417-D419 WeakPolarHBondContact CB-OD1 3.22Å; S417-D419 PolarHBondContact O-N 2.73Å; S417-D419 PolarHBondContact OG-OD1 3.15Å; D419-W423 WeakPolarHBondContact O-CB 3.34Å; D419-W423 PolarHBondContact O-N 3.24Å
420	L	95.4	Very high	92.5	Very high	35 Å²	35	46.6 Å²	46.6	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-72.1	-42.5	172.6	-73.5	-178.7	0	0	0	111.4	F378 W379 V416 S417 H418 Q422 W423 L424	F378-L420 WeakPolarHBondContact O-CD1 3.45Å; W379-L420 HydrophobicContact CB-CD1 4.38Å; V416-L420 HydrophobicContact CG1-CB 3.56Å; V416-L420 HydrophobicContact CG1-CD1 4.05Å; V416-L420 HydrophobicContact CG1-CG 4.46Å; S417-L420 PolarHBondContact O-N 3.09Å; H418-L420 VanDerWaalsContact C-N 3.34Å; H418-L420 PolarHBondContact O-N 2.76Å; L420-Q422 VanDerWaalsContact C-N 3.27Å; L420-Q422 PolarHBondContact O-N 2.77Å; L420-W423 PolarHBondContact O-N 2.82Å; L420-L424 WeakPolarHBondContact O-CG 3.3Å; L420-L424 PolarHBondContact O-N 3.1Å
421	V	96.4	Very high	92.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.4	-179.9	0	0	0	0	110.3	Y338 V342 F347 L350 V416 S417 H418 L424 A425	Y338-V421 HydrophobicContact CD1-CG1 3.73Å; Y338-V421 HydrophobicContact CE1-CG1 4.48Å; Y338-V421 HydrophobicContact CG-CG1 3.87Å; V342-V421 HydrophobicContact CG2-CG1 3.95Å; F347-V421 HydrophobicContact CE2-CB 4.48Å; F347-V421 HydrophobicContact CE2-CG2 4.37Å; F347-V421 HydrophobicContact CZ-CB 4.3Å; F347-V421 HydrophobicContact CZ-CG1 4.05Å; L350-V421 HydrophobicContact CB-CG2 3.82Å; L350-V421 HydrophobicContact CD1-CG1 3.96Å; L350-V421 HydrophobicContact CD1-CG2 4.06Å; L350-V421 HydrophobicContact CG-CG2 4.47Å; V416-V421 HydrophobicContact CB-CG2 4.01Å; V416-V421 HydrophobicContact CG1-CG2 3.87Å; S417-V421 PolarHBondContact O-N 2.83Å; S417-V421 VanDerWaalsContact O-N 3.09Å; H418-V421 PolarHBondContact O-N 2.79Å; V421-L424 PolarHBondContact O-N 2.94Å; V421-A425 VanDerWaalsContact O-CB 3.31Å; V421-A425 WeakPolarHBondContact O-CB 3.41Å; V421-A425 PolarHBondContact O-N 2.86Å
422	Q	96.4	Very high	92.6	Very high	86 Å²	86	50.7 Å²	50.7	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-42.4	175.4	-176.7	175	5.4	0	0	112.3	V342 H418 L420 S426	V342-Q422 HydrophobicContact CG1-CB 4.46Å; V342-Q422 HydrophobicContact CG1-CG 4.17Å; V342-Q422 HydrophobicContact CG2-CB 4.25Å; H418-Q422 PolarHBondContact CE1-OE1 3.16Å; H418-Q422 VanDerWaalsContact O-CB 3.29Å; H418-Q422 WeakPolarHBondContact O-CB 3.34Å; H418-Q422 PolarHBondContact O-N 3.42Å; L420-Q422 VanDerWaalsContact C-N 3.27Å; L420-Q422 PolarHBondContact O-N 2.77Å; Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.37Å; Q422-S426 PolarHBondContact O-N 2.97Å; Q422-S426 PolarHBondContact O-OG 2.89Å
423	W	95.9	Very high	92.4	Very high	140 Å²	140	49.3 Å²	49.3	53%	0.53	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-45.1	176.3	-175.7	92.3	0	0	0	111.4	D419 L420 S426 N427 L431	D419-W423 WeakPolarHBondContact O-CB 3.34Å; D419-W423 PolarHBondContact O-N 3.24Å; L420-W423 PolarHBondContact O-N 2.82Å; W423-S426 PolarHBondContact O-N 3.11Å; W423-N427 PolarHBondContact NE1-ND2 3.11Å; W423-N427 WeakPolarHBondContact O-CB 3.26Å; W423-N427 PolarHBondContact O-N 3.48Å; W423-N427 PolarHBondContact O-ND2 2.66Å; W423-L431 HydrophobicContact CH2-CD2 4.15Å; W423-L431 HydrophobicContact CZ3-CD1 4.44Å; W423-L431 HydrophobicContact CZ3-CD2 4.18Å
424	L	94.9	Very high	92.1	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.068	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-48	177.5	-70.5	167.4	0	0	0	111.1	Y338 L420 V421 S426 N427 A428 L431 L440	Y338-L424 HydrophobicContact CD2-CB 3.97Å; Y338-L424 HydrophobicContact CD2-CD1 4.04Å; Y338-L424 HydrophobicContact CE2-CB 4.44Å; Y338-L424 HydrophobicContact CE2-CD1 3.66Å; L420-L424 WeakPolarHBondContact O-CG 3.3Å; L420-L424 PolarHBondContact O-N 3.1Å; V421-L424 PolarHBondContact O-N 2.94Å; L424-S426 VanDerWaalsContact C-N 3.35Å; L424-S426 PolarHBondContact O-N 3.05Å; L424-N427 CarbonylContact O-C 3.53Å; L424-N427 PolarHBondContact O-N 3.39Å; L424-A428 WeakPolarHBondContact O-CA 3.06Å; L424-A428 PolarHBondContact O-N 2.73Å; L424-L431 HydrophobicContact CD2-CD1 3.81Å; L424-L440 HydrophobicContact CD2-CB 4.37Å; L424-L440 HydrophobicContact CD2-CD1 4.33Å
425	A	94.6	Very high	91	Very high	11 Å²	11	51.7 Å²	51.7	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-43.8	177.2	0	0	0	0	0	112.5	K339 V342 V421 N427 A428	K339-A425 HydrophobicContact CG-CB 4.14Å; V342-A425 HydrophobicContact CG2-CB 4.19Å; V421-A425 VanDerWaalsContact O-CB 3.31Å; V421-A425 WeakPolarHBondContact O-CB 3.41Å; V421-A425 PolarHBondContact O-N 2.86Å; A425-N427 VanDerWaalsContact C-N 3.31Å; A425-N427 PolarHBondContact O-N 3.48Å; A425-A428 WeakPolarHBondContact O-CB 3.3Å; A425-A428 PolarHBondContact O-N 3.41Å
426	S	95.1	Very high	89.5	Confident	88 Å²	88	52.3 Å²	52.3	62%	0.615	26%	0.259	S	S	*	.	H	α-helix	trans	-72.1	-23.8	-178.5	-55.8	0	0	0	0	113.4	Q422 W423 L424	Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.37Å; Q422-S426 PolarHBondContact O-N 2.97Å; Q422-S426 PolarHBondContact O-OG 2.89Å; W423-S426 PolarHBondContact O-N 3.11Å; L424-S426 VanDerWaalsContact C-N 3.35Å; L424-S426 PolarHBondContact O-N 3.05Å
427	N	94.3	Very high	87.5	Confident	35 Å²	35	53.2 Å²	53.2	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-105.6	6	179.6	-68.5	-80.4	0	0	0	113	W423 L424 A425 E429 K430 L431	W423-N427 PolarHBondContact NE1-ND2 3.11Å; W423-N427 WeakPolarHBondContact O-CB 3.26Å; W423-N427 PolarHBondContact O-N 3.48Å; W423-N427 PolarHBondContact O-ND2 2.66Å; L424-N427 CarbonylContact O-C 3.53Å; L424-N427 PolarHBondContact O-N 3.39Å; A425-N427 VanDerWaalsContact C-N 3.31Å; A425-N427 PolarHBondContact O-N 3.48Å; N427-E429 PolarHBondContact O-N 3.35Å; N427-K430 WeakPolarHBondContact O-CA 3.35Å; N427-K430 WeakPolarHBondContact O-CB 3.18Å; N427-K430 PolarHBondContact O-N 3.1Å; N427-L431 HydrophobicContact CB-CD1 4.42Å; N427-L431 HydrophobicContact CB-CG 4.34Å; N427-L431 WeakPolarHBondContact O-CG 3.42Å; N427-L431 PolarHBondContact O-N 3.04Å
428	A	88.9	Confident	85.5	Confident	10 Å²	10	53.8 Å²	53.8	8%	0.083	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-35.4	-172.5	0	0	0	0	0	115.1	L335 K339 L424 A425 K430	L335-A428 HydrophobicContact CD1-CB 3.66Å; L335-A428 HydrophobicContact CD2-CB 3.63Å; L335-A428 HydrophobicContact CG-CB 3.6Å; K339-A428 HydrophobicContact CD-CB 4.44Å; L424-A428 WeakPolarHBondContact O-CA 3.06Å; L424-A428 PolarHBondContact O-N 2.73Å; A425-A428 WeakPolarHBondContact O-CB 3.3Å; A425-A428 PolarHBondContact O-N 3.41Å; A428-K430 VanDerWaalsContact C-N 3.29Å; A428-K430 PolarHBondContact O-N 3.24Å
429	E	87.1	Confident	83.5	Confident	178 Å²	178	52.3 Å²	52.3	83%	0.832	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.1	179.6	-65.5	174.6	-171.7	0	0	113.6	N427	N427-E429 PolarHBondContact O-N 3.35Å
430	K	88.3	Confident	81	Confident	175 Å²	175	53.7 Å²	53.7	76%	0.761	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-16.2	177.5	-57.9	177.9	-175.3	170.5	0	112.4	N427 A428	N427-K430 WeakPolarHBondContact O-CA 3.35Å; N427-K430 WeakPolarHBondContact O-CB 3.18Å; N427-K430 PolarHBondContact O-N 3.1Å; A428-K430 VanDerWaalsContact C-N 3.29Å; A428-K430 PolarHBondContact O-N 3.24Å
431	L	86.7	Confident	80.2	Confident	34 Å²	34	54.6 Å²	54.6	18%	0.178	27%	0.27	C	S	.	.	S	Bend	trans	-83.4	143.6	179.4	-62.1	173.6	0	0	0	109.4	L335 W423 L424 N427 L440	L335-L431 HydrophobicContact CD1-CD1 4.41Å; W423-L431 HydrophobicContact CH2-CD2 4.15Å; W423-L431 HydrophobicContact CZ3-CD1 4.44Å; W423-L431 HydrophobicContact CZ3-CD2 4.18Å; L424-L431 HydrophobicContact CD2-CD1 3.81Å; N427-L431 HydrophobicContact CB-CD1 4.42Å; N427-L431 HydrophobicContact CB-CG 4.34Å; N427-L431 WeakPolarHBondContact O-CG 3.42Å; N427-L431 PolarHBondContact O-N 3.04Å; L431-L440 HydrophobicContact CB-CB 4.48Å; L431-L440 HydrophobicContact CB-CD2 4.42Å; L431-L440 HydrophobicContact CD1-CB 4.18Å; L431-L440 WeakPolarHBondContact CD2-OXT 3.12Å
432	K	83.8	Confident	79.4	Confident	86 Å²	86	57.5 Å²	57.5	37%	0.374	29%	0.285	S	S	.	.			trans	-100.6	124.6	176.9	-175.6	161.9	175.1	176.8	0	108.6	E399 Y434	E399-K432 WeakPolarHBondContact OE2-CE 3.5Å; E399-K432 IonicContact OE2-NZ 2.72Å; E399-K432 PolarHBondContact OE2-NZ 2.64Å; K432-Y434 HydrophobicContact CB-CE2 4.07Å; K432-Y434 HydrophobicContact CD-CE1 3.92Å; K432-Y434 HydrophobicContact CD-CE2 4.48Å; K432-Y434 HydrophobicContact CG-CE1 4.04Å; K432-Y434 HydrophobicContact CG-CE2 4.15Å; K432-Y434 PolarHBondContact O-N 2.77Å
433	A	81.8	Confident	78.4	Confident	44 Å²	44	55.9 Å²	55.9	36%	0.364	28%	0.278	S	S	.	.			trans	-77.5	107.3	177.9	0	0	0	0	0	110.2	P331	P331-A433 HydrophobicContact CB-CB 4.01Å
434	Y	84.7	Confident	77.4	Confident	44 Å²	44	50.9 Å²	50.9	17%	0.173	26%	0.263	C	S	.	.			trans	-96.2	154.5	169.2	-61.4	-69.9	0	0	0	110.9	P331 E397 Y400 K432 V436 K439	P331-Y434 WeakPolarHBondContact CG-O 3.39Å; E397-Y434 VanDerWaalsContact CD-CD1 3.48Å; E397-Y434 HydrophobicContact CG-CD1 4.13Å; E397-Y434 VanDerWaalsContact OE2-CA 3.25Å; E397-Y434 WeakPolarHBondContact OE2-CA 3.19Å; E397-Y434 WeakPolarHBondContact OE2-CB 3.2Å; E397-Y434 WeakPolarHBondContact OE2-CD1 3.42Å; Y400-Y434 HydrophobicContact CD2-CD1 4.03Å; Y400-Y434 HydrophobicContact CD2-CD2 4.16Å; Y400-Y434 AromaticContact CD2-CE1 3.69Å; Y400-Y434 HydrophobicContact CD2-CE1 3.69Å; Y400-Y434 AromaticContact CD2-CE2 3.85Å; Y400-Y434 HydrophobicContact CD2-CE2 3.85Å; Y400-Y434 HydrophobicContact CD2-CG 4.23Å; Y400-Y434 AromaticContact CD2-CZ 3.59Å; Y400-Y434 HydrophobicContact CE2-CE2 4.21Å; Y400-Y434 HydrophobicContact CG-CD1 4.5Å; Y400-Y434 HydrophobicContact CG-CE1 4.33Å; K432-Y434 HydrophobicContact CB-CE2 4.07Å; K432-Y434 HydrophobicContact CD-CE1 3.92Å; K432-Y434 HydrophobicContact CD-CE2 4.48Å; K432-Y434 HydrophobicContact CG-CE1 4.04Å; K432-Y434 HydrophobicContact CG-CE2 4.15Å; K432-Y434 PolarHBondContact O-N 2.77Å; Y434-V436 CarbonylContact O-C 3.56Å; Y434-V436 PolarHBondContact O-N 2.75Å; Y434-K439 HydrophobicContact CD2-CB 4.47Å; Y434-K439 PolarHBondContact N-O 3.09Å
435	Q	71.4	Confident	76.3	Confident	28 Å²	28	53.3 Å²	53.3	13%	0.131	28%	0.275	C	S	.	.	S	Bend	trans	-60.5	-16.7	-166	-80.5	-65.5	-39	0	0	116.8	R328 Q396 E397	R328-Q435 VanDerWaalsContact CD-NE2 3.3Å; R328-Q435 PolarHBondContact O-NE2 3.49Å; Q396-Q435 WeakPolarHBondContact O-CG 3.26Å; E397-Q435 PolarHBondContact OE2-N 3.12Å
436	V	63.9	Low	75.1	Confident	17 Å²	17	56.1 Å²	56.1	10%	0.103	29%	0.288	C	S	.	.	S	Bend	trans	-91.7	119.7	170.1	179.2	0	0	0	0	107.9	F408 Y434 I438 K439	F408-V436 HydrophobicContact CD2-CG1 3.65Å; F408-V436 HydrophobicContact CE2-CG1 3.57Å; F408-V436 HydrophobicContact CZ-CG1 4.42Å; Y434-V436 CarbonylContact O-C 3.56Å; Y434-V436 PolarHBondContact O-N 2.75Å; V436-I438 PolarHBondContact O-N 3.06Å; V436-K439 HydrophobicContact CB-CD 3.73Å; V436-K439 HydrophobicContact CB-CG 3.98Å; V436-K439 VanDerWaalsContact CB-NZ 3.32Å; V436-K439 HydrophobicContact CG1-CD 4.29Å; V436-K439 HydrophobicContact CG1-CG 4.27Å; V436-K439 HydrophobicContact CG2-CD 4.33Å; V436-K439 WeakPolarHBondContact O-CB 3.29Å; V436-K439 PolarHBondContact O-N 2.96Å
437	E	53.2	Low	73.7	Confident	19 Å²	19	53.9 Å²	53.9	9%	0.089	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40	-16.4	-174.6	-46.7	179.8	163.4	0	0	116.4	V330 L334 K352	V330-E437 HydrophobicContact CB-CG 4.3Å; V330-E437 HydrophobicContact CG1-CB 4.22Å; V330-E437 HydrophobicContact CG1-CG 3.52Å; V330-E437 WeakPolarHBondContact CG1-OE1 3.48Å; L334-E437 WeakPolarHBondContact CD2-O 3.01Å; K352-E437 IonicContact NZ-OE2 2.75Å; K352-E437 PolarHBondContact NZ-OE2 3.32Å
438	I	51.6	Low	72.1	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.072	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	4.8	-168.2	-61.1	156.4	0	0	0	111.7	W379 F408 A409 Y414 V436	W379-I438 HydrophobicContact CH2-CG2 3.77Å; W379-I438 HydrophobicContact CZ2-CG2 3.47Å; W379-I438 VanDerWaalsContact CZ2-CG2 3.47Å; F408-I438 HydrophobicContact CB-CB 4.36Å; F408-I438 HydrophobicContact CB-CG2 3.94Å; A409-I438 VanDerWaalsContact C-CD1 3.47Å; A409-I438 HydrophobicContact CB-CD1 4.14Å; A409-I438 HydrophobicContact CB-CG2 4Å; A409-I438 WeakPolarHBondContact O-CD1 3.39Å; Y414-I438 HydrophobicContact CD1-CD1 3.81Å; Y414-I438 HydrophobicContact CD1-CG1 4.27Å; Y414-I438 HydrophobicContact CE1-CD1 3.38Å; Y414-I438 HydrophobicContact CE1-CG1 3.44Å; Y414-I438 VanDerWaalsContact CE1-CG1 3.44Å; V436-I438 PolarHBondContact O-N 3.06Å
439	K	53.7	Low	70.7	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.061	29%	0.286	C	S	.	.			trans	-109	79.6	-177.8	-58.9	-175.2	-169.4	148.5	0	109.2	Y405 F408 Y434 V436	Y405-K439 HydrophobicContact CD1-CD 3.2Å; Y405-K439 HydrophobicContact CD2-CD 4.27Å; Y405-K439 HydrophobicContact CE1-CD 3.42Å; Y405-K439 VanDerWaalsContact CE1-CD 3.42Å; Y405-K439 HydrophobicContact CE2-CD 4.43Å; Y405-K439 HydrophobicContact CG-CD 3.6Å; F408-K439 HydrophobicContact CB-CG 4.14Å; F408-K439 HydrophobicContact CD1-CD 4.46Å; F408-K439 HydrophobicContact CG-CD 4.49Å; F408-K439 VanDerWaalsContact CG-CE 3.44Å; F408-K439 HydrophobicContact CG-CG 4.26Å; Y434-K439 HydrophobicContact CD2-CB 4.47Å; Y434-K439 PolarHBondContact N-O 3.09Å; V436-K439 HydrophobicContact CB-CD 3.73Å; V436-K439 HydrophobicContact CB-CG 3.98Å; V436-K439 VanDerWaalsContact CB-NZ 3.32Å; V436-K439 HydrophobicContact CG1-CD 4.29Å; V436-K439 HydrophobicContact CG1-CG 4.27Å; V436-K439 HydrophobicContact CG2-CD 4.33Å; V436-K439 WeakPolarHBondContact O-CB 3.29Å; V436-K439 PolarHBondContact O-N 2.96Å
440	L	42	Very low	69.2	Low	56 Å²	56	48.3 Å²	48.3	29%	0.293	24%	0.236	S	C	.	.			trans	-105.5	0	175.2	-74.1	167.6	0	0	0	110.9	L335 Y338 L424 L431	L335-L440 HydrophobicContact CD1-CD1 4.01Å; L335-L440 HydrophobicContact CD1-CD2 4.5Å; L335-L440 HydrophobicContact CD2-CD2 4.02Å; Y338-L440 HydrophobicContact CE2-CD1 4.42Å; L424-L440 HydrophobicContact CD2-CB 4.37Å; L424-L440 HydrophobicContact CD2-CD1 4.33Å; L431-L440 HydrophobicContact CB-CB 4.48Å; L431-L440 HydrophobicContact CB-CD2 4.42Å; L431-L440 HydrophobicContact CD1-CB 4.18Å; L431-L440 WeakPolarHBondContact CD2-OXT 3.12Å

Retrieved 440 of 440 residues in 184.9 ms (Link to these results)

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