A0A087XYJ7_POEFO Loading...

NADPH--cytochrome P450 reductase

This enzyme is required for electron transfer from NADP to cytochrome P450 in microsomes. It can also provide electron transfer to heme oxygenase and cytochrome B5.

AlphaFold DB , UniProt , Accession A0A087XYJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene POR, Length 676 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	45.5	Very low	36.2	Very low	181 Å²	181	158.4 Å²	158.4	100%	1.266	91%	0.905	S	S	*	*				0	105.7	0	-162.7	0	0	0	0	108.1
2	A	35.9	Very low	36.1	Very low	107 Å²	107	152.9 Å²	152.9	88%	0.884	89%	0.893	S	S	*	*			trans	167.1	155.2	156.6	0	0	0	0	0	111.4
3	K	37.1	Very low	36	Very low	206 Å²	206	152.3 Å²	152.3	90%	0.896	89%	0.893	S	S	*	*			trans	-66.4	158.4	-167	-69.2	166.4	168.5	179.9	0	116.1
4	M	33.1	Very low	36	Very low	197 Å²	197	153 Å²	153	97%	0.97	89%	0.891	S	S	*	*			trans	-137.7	145	159.8	-105	176.3	165.8	0	0	109.8
5	A	37	Very low	35.9	Very low	89 Å²	89	152.6 Å²	152.6	74%	0.736	89%	0.892	S	S	*	*			trans	-128.7	152	-177.6	0	0	0	0	0	110.7
6	D	34.9	Very low	36.1	Very low	157 Å²	157	149 Å²	149	84%	0.84	89%	0.885	S	S	*	*			trans	49.3	124.9	158.5	-70.9	-17.6	0	0	0	122.4
7	M	32.3	Very low	36.3	Very low	188 Å²	188	144.4 Å²	144.4	93%	0.926	88%	0.876	S	S	*	*				-175.9	138.6	114.7	-99.7	173.4	62.7	0	0	111.2
8	D	36.8	Very low	36.5	Very low	159 Å²	159	147.3 Å²	147.3	85%	0.85	88%	0.879	S	S	*	*			trans	-58	162.1	177.6	-74.6	-48.8	0	0	0	115.2
9	P	41.8	Very low	37.1	Very low	125 Å²	125	149.6 Å²	149.6	81%	0.812	88%	0.879	S	S	*	*			trans	-135.4	156.3	136.1	35.7	-21.2	0	0	0	115.6
10	E	32.5	Very low	38.1	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	88%	0.877	S	S	*	*			trans	-60.3	152.8	-174.4	-59.8	167.2	132.7	0	0	116.1
11	T	31.2	Very low	39.1	Very low	148 Å²	148	149.3 Å²	149.3	91%	0.908	87%	0.871	S	S	*	*			trans	-154.9	141.4	134.6	3.3	0	0	0	0	111.6
12	A	35.4	Very low	39.8	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	85%	0.85	S	S	*	*			trans	-58.3	153.8	-164.4	0	0	0	0	0	117.3
13	T	34.3	Very low	41	Very low	145 Å²	145	149.5 Å²	149.5	89%	0.89	84%	0.836	S	S	*	*			trans	-164.3	137.5	140.1	14.6	0	0	0	0	112.5
14	N	35.7	Very low	42.7	Very low	162 Å²	162	142.4 Å²	142.4	87%	0.866	81%	0.812	S	S	*	*			trans	-58.7	137.1	177.4	-68.5	-41.8	0	0	0	113.2
15	T	35.8	Very low	44.4	Very low	147 Å²	147	140 Å²	140	90%	0.902	80%	0.803	S	S	*	*			trans	-109.7	97.7	155.9	35.1	0	0	0	0	108
16	A	39.2	Very low	46	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	80%	0.798	S	S	*	*			trans	-75.7	134.7	164.9	0	0	0	0	0	108.1
17	G	38.1	Very low	47.7	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	78%	0.775	S	S	*	*			trans	-62	142.3	177	0	0	0	0	0	111.8	E19	G17-E19 PolarHBondContact O-N 2.75Å
18	E	40.9	Very low	49.7	Very low	197 Å²	197	133.5 Å²	133.5	92%	0.921	76%	0.758	S	S	*	*			trans	-67.6	109.6	168	-70.1	177.2	151.5	0	0	108.5	E20	E18-E20 PolarHBondContact O-N 2.83Å
19	E	48.5	Very low	51.6	Low	190 Å²	190	132.5 Å²	132.5	89%	0.888	75%	0.747	S	S	*	*			trans	-74.9	112.9	163.6	-74	-173.7	164.6	0	0	108.2	G17	G17-E19 PolarHBondContact O-N 2.75Å
20	E	55.3	Low	53.2	Low	181 Å²	181	130.7 Å²	130.7	85%	0.846	73%	0.73	S	S	*	*			trans	-63.4	132.4	167.2	-72.6	-169.8	161.3	0	0	109.5	E18 L22	E18-E20 PolarHBondContact O-N 2.83Å; E20-L22 PolarHBondContact O-N 3.21Å
21	P	59	Low	55.3	Low	113 Å²	113	128.6 Å²	128.6	73%	0.734	72%	0.718	S	S	*	*			trans	-65	127.3	178.8	24.3	-30.4	0	0	0	110.2	F23	P21-F23 PolarHBondContact O-N 2.77Å
22	L	61.2	Low	57.4	Low	161 Å²	161	124.8 Å²	124.8	84%	0.843	70%	0.697	S	S	*	*	S	Bend	trans	-53.9	-10	-178.3	-98.5	153.3	0	0	0	116	E20	E20-L22 PolarHBondContact O-N 3.21Å
23	F	60.3	Low	59.6	Low	130 Å²	130	124.7 Å²	124.7	57%	0.57	68%	0.684	S	S	*	*	S	Bend	trans	-137.5	125	178.2	-65.2	-74.3	0	0	0	109.5	P21 D27	P21-F23 PolarHBondContact O-N 2.77Å; F23-D27 HydrophobicContact CB-CB 4.14Å; F23-D27 HydrophobicContact CD1-CB 4.07Å
24	S	73.7	Confident	61.9	Low	57 Å²	57	122.2 Å²	122.2	40%	0.399	66%	0.664	S	S	.	*			trans	-71.5	162.7	173.4	77.3	0	0	0	0	110.6	L26 D27 L28	S24-L26 PolarHBondContact O-N 2.81Å; S24-L26 VanDerWaalsContact O-N 3.09Å; S24-L26 WeakPolarHBondContact OG-CB 3.3Å; S24-L26 PolarHBondContact OG-N 3.3Å; S24-D27 WeakPolarHBondContact CB-OD2 3.37Å; S24-D27 PolarHBondContact N-OD2 2.95Å; S24-D27 WeakPolarHBondContact O-CA 3.42Å; S24-D27 WeakPolarHBondContact O-CB 3.33Å; S24-D27 PolarHBondContact O-N 3.29Å; S24-D27 PolarHBondContact OG-N 3.48Å; S24-D27 PolarHBondContact OG-OD2 2.76Å; S24-L28 PolarHBondContact O-N 3.49Å
25	N	68.9	Low	64.1	Low	146 Å²	146	117.5 Å²	117.5	78%	0.781	64%	0.641	S	S	*	*	H	α-helix	trans	-57.4	-24.9	173	-71.6	-23.8	0	0	0	112.7	F29	N25-F29 WeakPolarHBondContact O-CB 3.19Å; N25-F29 PolarHBondContact O-N 3.34Å; N25-F29 VanDerWaalsContact O-N 3.15Å
26	L	71.3	Confident	66.4	Low	121 Å²	121	112.2 Å²	112.2	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-72.1	-38.9	173.7	-164.7	84.3	0	0	0	111.3	S24 F29 L30	S24-L26 PolarHBondContact O-N 2.81Å; S24-L26 VanDerWaalsContact O-N 3.09Å; S24-L26 WeakPolarHBondContact OG-CB 3.3Å; S24-L26 PolarHBondContact OG-N 3.3Å; L26-F29 PolarHBondContact O-N 2.8Å; L26-L30 HydrophobicContact CD2-CD1 4.49Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 2.96Å
27	D	70.5	Confident	68.3	Low	68 Å²	68	112.6 Å²	112.6	36%	0.364	60%	0.604	S	S	.	*	H	α-helix	trans	-68.9	-40.1	177.9	-59	-52.3	0	0	0	111.1	F23 S24 F29 L30 F31	F23-D27 HydrophobicContact CB-CB 4.14Å; F23-D27 HydrophobicContact CD1-CB 4.07Å; S24-D27 WeakPolarHBondContact CB-OD2 3.37Å; S24-D27 PolarHBondContact N-OD2 2.95Å; S24-D27 WeakPolarHBondContact O-CA 3.42Å; S24-D27 WeakPolarHBondContact O-CB 3.33Å; S24-D27 PolarHBondContact O-N 3.29Å; S24-D27 PolarHBondContact OG-N 3.48Å; S24-D27 PolarHBondContact OG-OD2 2.76Å; D27-F29 VanDerWaalsContact C-N 3.29Å; D27-F29 PolarHBondContact O-N 3.37Å; D27-L30 PolarHBondContact O-N 3.49Å; D27-F31 VanDerWaalsContact O-CB 3.26Å; D27-F31 WeakPolarHBondContact O-CB 3.29Å; D27-F31 PolarHBondContact O-N 2.95Å
28	L	73.1	Confident	70.2	Confident	109 Å²	109	113 Å²	113	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-62	-36.3	171.9	-104.2	136.8	0	0	0	112.2	S24 S32	S24-L28 PolarHBondContact O-N 3.49Å; L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 3.43Å; L28-S32 PolarHBondContact O-OG 3.22Å
29	F	77.4	Confident	72	Confident	138 Å²	138	107.9 Å²	107.9	61%	0.605	57%	0.57	S	S	*	*	H	α-helix	trans	-71.3	-42	175.8	-163.2	-92.8	0	0	0	112.2	N25 L26 D27 S32 L33	N25-F29 WeakPolarHBondContact O-CB 3.19Å; N25-F29 PolarHBondContact O-N 3.34Å; N25-F29 VanDerWaalsContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 2.8Å; D27-F29 VanDerWaalsContact C-N 3.29Å; D27-F29 PolarHBondContact O-N 3.37Å; F29-S32 WeakPolarHBondContact CA-OG 3.13Å; F29-S32 PolarHBondContact O-N 2.99Å; F29-S32 PolarHBondContact O-OG 3.36Å; F29-L33 HydrophobicContact CE1-CD1 4.25Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 PolarHBondContact O-N 3.04Å
30	L	74.4	Confident	73.4	Confident	87 Å²	87	106.5 Å²	106.5	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-41.2	174.5	-97.3	148.5	0	0	0	111.8	L26 D27 L33 I34	L26-L30 HydrophobicContact CD2-CD1 4.49Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 2.96Å; D27-L30 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 3.47Å; L30-I34 WeakPolarHBondContact O-CB 3.31Å; L30-I34 VanDerWaalsContact O-CG1 3.22Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.32Å
31	F	76.3	Confident	74.4	Confident	141 Å²	141	104.5 Å²	104.5	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-66.3	-41.6	178.3	-145.9	-88.2	0	0	0	111.3	D27 L33 I34 V35	D27-F31 VanDerWaalsContact O-CB 3.26Å; D27-F31 WeakPolarHBondContact O-CB 3.29Å; D27-F31 PolarHBondContact O-N 2.95Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 2.96Å; F31-I34 PolarHBondContact O-N 2.86Å; F31-V35 HydrophobicContact CD1-CG2 3.87Å; F31-V35 HydrophobicContact CE1-CG2 4.02Å; F31-V35 VanDerWaalsContact O-CB 3.32Å; F31-V35 WeakPolarHBondContact O-CB 3.33Å; F31-V35 WeakPolarHBondContact O-CG2 3.26Å; F31-V35 PolarHBondContact O-N 2.93Å
32	S	75.3	Confident	74.9	Confident	68 Å²	68	105 Å²	105	48%	0.476	53%	0.534	S	S	.	.	H	α-helix	trans	-67.4	-33.1	174.9	47.8	0	0	0	0	112.8	L28 F29 G36	L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 3.43Å; L28-S32 PolarHBondContact O-OG 3.22Å; F29-S32 WeakPolarHBondContact CA-OG 3.13Å; F29-S32 PolarHBondContact O-N 2.99Å; F29-S32 PolarHBondContact O-OG 3.36Å; S32-G36 PolarHBondContact O-N 3.28Å
33	L	82.6	Confident	75.1	Confident	92 Å²	92	103.7 Å²	103.7	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-71.8	-39.2	174.4	-162.5	129.7	0	0	0	112.4	F29 L30 F31 G36 L37	F29-L33 HydrophobicContact CE1-CD1 4.25Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 PolarHBondContact O-N 3.04Å; L30-L33 PolarHBondContact O-N 3.47Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 2.96Å; L33-G36 PolarHBondContact O-N 3.34Å; L33-L37 HydrophobicContact CD2-CD1 3.86Å; L33-L37 WeakPolarHBondContact O-CB 3.19Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.07Å
34	I	81.6	Confident	75	Confident	92 Å²	92	100.3 Å²	100.3	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-67.3	-45.1	174.4	-69	165.5	0	0	0	110.5	L30 F31 G36 L37 V38	L30-I34 WeakPolarHBondContact O-CB 3.31Å; L30-I34 VanDerWaalsContact O-CG1 3.22Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.32Å; F31-I34 PolarHBondContact O-N 2.86Å; I34-G36 VanDerWaalsContact C-N 3.3Å; I34-G36 PolarHBondContact O-N 3.31Å; I34-L37 PolarHBondContact O-N 3.35Å; I34-V38 HydrophobicContact CG2-CG2 4.38Å; I34-V38 WeakPolarHBondContact O-CB 3.38Å; I34-V38 VanDerWaalsContact O-CG2 3.27Å; I34-V38 WeakPolarHBondContact O-CG2 3.41Å; I34-V38 PolarHBondContact O-N 3.17Å
35	V	82.4	Confident	74.1	Confident	63 Å²	63	106.3 Å²	106.3	38%	0.382	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-40.8	174.5	170	0	0	0	0	110.4	F31 L37 V38 I39	F31-V35 HydrophobicContact CD1-CG2 3.87Å; F31-V35 HydrophobicContact CE1-CG2 4.02Å; F31-V35 VanDerWaalsContact O-CB 3.32Å; F31-V35 WeakPolarHBondContact O-CB 3.33Å; F31-V35 WeakPolarHBondContact O-CG2 3.26Å; F31-V35 PolarHBondContact O-N 2.93Å; V35-L37 PolarHBondContact O-N 3.26Å; V35-V38 PolarHBondContact O-N 3.24Å; V35-I39 HydrophobicContact CG1-CD1 3.65Å; V35-I39 HydrophobicContact CG1-CG1 4.3Å; V35-I39 WeakPolarHBondContact O-CB 3.33Å; V35-I39 WeakPolarHBondContact O-CG1 3.4Å; V35-I39 PolarHBondContact O-N 2.93Å
36	G	84.3	Confident	72.8	Confident	37 Å²	37	107 Å²	107	38%	0.381	53%	0.528	S	S	.	.	H	α-helix	trans	-60.3	-42.9	173.3	0	0	0	0	0	113	S32 L33 I34 Y40	S32-G36 PolarHBondContact O-N 3.28Å; L33-G36 PolarHBondContact O-N 3.34Å; I34-G36 VanDerWaalsContact C-N 3.3Å; I34-G36 PolarHBondContact O-N 3.31Å; G36-Y40 WeakPolarHBondContact O-CB 3.41Å; G36-Y40 PolarHBondContact O-N 2.86Å
37	L	80	Confident	71.2	Confident	102 Å²	102	108.4 Å²	108.4	53%	0.534	53%	0.531	S	S	.	.	H	α-helix	trans	-69.3	-36.7	176.1	-78.3	167.9	0	0	0	112.7	L33 I34 V35 Y40 W41	L33-L37 HydrophobicContact CD2-CD1 3.86Å; L33-L37 WeakPolarHBondContact O-CB 3.19Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.07Å; I34-L37 PolarHBondContact O-N 3.35Å; V35-L37 PolarHBondContact O-N 3.26Å; L37-Y40 PolarHBondContact O-N 3.02Å; L37-W41 WeakPolarHBondContact O-CB 3.39Å; L37-W41 PolarHBondContact O-N 3.08Å
38	V	77.9	Confident	69.8	Low	79 Å²	79	110.2 Å²	110.2	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-69.1	-41.9	175.6	171	0	0	0	0	110.7	I34 V35 W41 F42	I34-V38 HydrophobicContact CG2-CG2 4.38Å; I34-V38 WeakPolarHBondContact O-CB 3.38Å; I34-V38 VanDerWaalsContact O-CG2 3.27Å; I34-V38 WeakPolarHBondContact O-CG2 3.41Å; I34-V38 PolarHBondContact O-N 3.17Å; V35-V38 PolarHBondContact O-N 3.24Å; V38-W41 PolarHBondContact O-N 3.09Å; V38-F42 WeakPolarHBondContact O-CB 3.45Å; V38-F42 PolarHBondContact O-N 3.38Å
39	I	79	Confident	68.1	Low	91 Å²	91	113.4 Å²	113.4	47%	0.467	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-44.6	173.4	-69.2	168.7	0	0	0	110.1	V35 W41 F42 M43	V35-I39 HydrophobicContact CG1-CD1 3.65Å; V35-I39 HydrophobicContact CG1-CG1 4.3Å; V35-I39 WeakPolarHBondContact O-CB 3.33Å; V35-I39 WeakPolarHBondContact O-CG1 3.4Å; V35-I39 PolarHBondContact O-N 2.93Å; I39-W41 VanDerWaalsContact C-N 3.33Å; I39-W41 PolarHBondContact O-N 3.49Å; I39-F42 PolarHBondContact O-N 2.86Å; I39-M43 HydrophobicContact CG2-CG 4.33Å; I39-M43 HydrophobicContact CG2-SD 3.9Å; I39-M43 WeakPolarHBondContact O-CB 3.48Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.37Å; I39-M43 PolarHBondContact O-N 3.24Å
40	Y	77.4	Confident	66.2	Low	160 Å²	160	112.1 Å²	112.1	63%	0.627	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-39.9	175.5	-179.6	-97.2	0	0	0	112.2	G36 L37 S44	G36-Y40 WeakPolarHBondContact O-CB 3.41Å; G36-Y40 PolarHBondContact O-N 2.86Å; L37-Y40 PolarHBondContact O-N 3.02Å; Y40-S44 WeakPolarHBondContact O-CB 3.39Å; Y40-S44 PolarHBondContact O-N 3.26Å; Y40-S44 PolarHBondContact O-OG 2.85Å
41	W	75.4	Confident	64.5	Low	139 Å²	139	114.9 Å²	114.9	53%	0.527	58%	0.578	S	S	.	*	H	α-helix	trans	-68.6	-39.6	176	-174.9	80.7	0	0	0	112.1	L37 V38 I39 S44 R45	L37-W41 WeakPolarHBondContact O-CB 3.39Å; L37-W41 PolarHBondContact O-N 3.08Å; V38-W41 PolarHBondContact O-N 3.09Å; I39-W41 VanDerWaalsContact C-N 3.33Å; I39-W41 PolarHBondContact O-N 3.49Å; W41-S44 PolarHBondContact O-N 3.34Å; W41-R45 VanDerWaalsContact CH2-NH1 3.32Å; W41-R45 WeakPolarHBondContact O-CB 3.43Å; W41-R45 PolarHBondContact O-N 3.4Å
42	F	69.1	Low	62.6	Low	125 Å²	125	112.5 Å²	112.5	55%	0.548	58%	0.576	S	S	.	*	H	α-helix	trans	-70.5	-34.9	175.3	-123.6	-86.8	0	0	0	112.7	V38 I39 K46	V38-F42 WeakPolarHBondContact O-CB 3.45Å; V38-F42 PolarHBondContact O-N 3.38Å; I39-F42 PolarHBondContact O-N 2.86Å; F42-K46 PolarHBondContact O-N 2.86Å
43	M	65.6	Low	60.4	Low	132 Å²	132	118.2 Å²	118.2	65%	0.65	60%	0.595	S	S	*	*	H	α-helix	trans	-72.1	-36.4	172.9	-74.3	-177.6	64.5	0	0	111.7	I39 R45 K46	I39-M43 HydrophobicContact CG2-CG 4.33Å; I39-M43 HydrophobicContact CG2-SD 3.9Å; I39-M43 WeakPolarHBondContact O-CB 3.48Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.37Å; I39-M43 PolarHBondContact O-N 3.24Å; M43-R45 VanDerWaalsContact C-N 3.35Å; M43-K46 PolarHBondContact O-N 3.24Å
44	S	58.8	Low	57.9	Low	59 Å²	59	122.3 Å²	122.3	41%	0.413	61%	0.61	S	S	.	*	H	α-helix	trans	-71.3	-27.5	175.1	-64.5	0	0	0	0	112.8	Y40 W41 K46	Y40-S44 WeakPolarHBondContact O-CB 3.39Å; Y40-S44 PolarHBondContact O-N 3.26Å; Y40-S44 PolarHBondContact O-OG 2.85Å; W41-S44 PolarHBondContact O-N 3.34Å; S44-K46 VanDerWaalsContact C-N 3.3Å
45	R	54.4	Low	55.3	Low	183 Å²	183	126.2 Å²	126.2	69%	0.691	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-14.2	170.2	-108.7	-175.2	168.1	-173	-2.6	114.1	W41 M43	W41-R45 VanDerWaalsContact CH2-NH1 3.32Å; W41-R45 WeakPolarHBondContact O-CB 3.43Å; W41-R45 PolarHBondContact O-N 3.4Å; M43-R45 VanDerWaalsContact C-N 3.35Å
46	K	41.2	Very low	52.8	Low	162 Å²	162	131.8 Å²	131.8	70%	0.704	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	14.9	177.4	-82.6	-168.4	177	-174.9	0	113.3	F42 M43 S44 P48	F42-K46 PolarHBondContact O-N 2.86Å; M43-K46 PolarHBondContact O-N 3.24Å; S44-K46 VanDerWaalsContact C-N 3.3Å; K46-P48 WeakPolarHBondContact O-CD 3.32Å
47	Q	39.3	Very low	50.2	Low	149 Å²	149	137.4 Å²	137.4	70%	0.696	66%	0.663	S	S	*	*	S	Bend	trans	-75.5	105.3	153.9	-69.9	-91.9	-22.9	0	0	105.1	E49	Q47-E49 PolarHBondContact O-N 2.96Å; Q47-E49 VanDerWaalsContact O-N 3.09Å
48	P	40.3	Very low	47.8	Very low	107 Å²	107	138.8 Å²	138.8	70%	0.695	67%	0.67	S	S	*	*			trans	-52.4	124	159	24.5	-30.6	0	0	0	105	K46 P50	K46-P48 WeakPolarHBondContact O-CD 3.32Å; P48-P50 WeakPolarHBondContact O-CD 3.47Å
49	E	37	Very low	45.5	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	68%	0.68	S	S	*	*			trans	-48.8	122.6	160.1	-77.7	-169.5	167.2	0	0	104.6	Q47 I51	Q47-E49 PolarHBondContact O-N 2.96Å; Q47-E49 VanDerWaalsContact O-N 3.09Å; E49-I51 PolarHBondContact O-N 2.91Å
50	P	37.6	Very low	43.1	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	69%	0.691	S	S	*	*			trans	-58.2	108.5	170.4	23.8	-28.6	0	0	0	103.3	P48 P52	P48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-P52 WeakPolarHBondContact O-CD 3.41Å
51	I	40.1	Very low	40.8	Very low	145 Å²	145	138.9 Å²	138.9	74%	0.744	69%	0.694	S	S	*	*			trans	-42.7	118.9	156.1	-59.6	171.1	0	0	0	101.5	E49 E53	E49-I51 PolarHBondContact O-N 2.91Å; I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 3.28Å
52	P	35.2	Very low	38.8	Very low	91 Å²	91	136.8 Å²	136.8	59%	0.591	70%	0.699	S	S	*	*			trans	-49.7	116.3	174.9	-19.5	27.9	0	0	0	103.3	P50 F54	P50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-F54 PolarHBondContact O-N 3.25Å
53	E	29.4	Very low	37.2	Very low	188 Å²	188	137.2 Å²	137.2	88%	0.879	71%	0.712	S	S	*	*			trans	-58.6	94.7	158.3	-86.4	-175.5	166.4	0	0	101.1	I51 K55	I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 3.28Å; E53-K55 PolarHBondContact O-N 2.8Å
54	F	30.2	Very low	36.1	Very low	178 Å²	178	134.5 Å²	134.5	78%	0.781	70%	0.703	S	S	*	*			trans	-47.1	101.1	140.3	-69.5	-82.6	0	0	0	100.4	P52 K56	P52-F54 PolarHBondContact O-N 3.25Å; F54-K56 PolarHBondContact O-N 2.86Å
55	K	27.3	Very low	35.5	Very low	174 Å²	174	142.1 Å²	142.1	76%	0.757	72%	0.722	S	S	*	*			trans	-38.1	109.6	143.4	-100.5	-173.2	171.4	-170.9	0	100.9	E53 L57	E53-K55 PolarHBondContact O-N 2.8Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 2.76Å
56	K	29.7	Very low	35.2	Very low	180 Å²	180	142.4 Å²	142.4	78%	0.783	73%	0.732	S	S	*	*			trans	-40.5	118.9	154.1	-77.7	-175.4	176.5	-176.3	0	100.5	F54 D58	F54-K56 PolarHBondContact O-N 2.86Å; K56-D58 PolarHBondContact O-N 2.93Å
57	L	29.9	Very low	36.5	Very low	154 Å²	154	138.3 Å²	138.3	81%	0.806	72%	0.72	S	S	*	*			trans	-44.8	114.6	162.2	-91.6	149.8	0	0	0	100.8	K55 T59	K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 2.76Å; L57-T59 PolarHBondContact O-N 3.49Å; L57-T59 PolarHBondContact O-OG1 3.47Å
58	D	29.2	Very low	38.9	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	69%	0.694	S	S	*	*			trans	-60.5	83.3	158.6	-68	-43.2	0	0	0	99.5	K56 P60	K56-D58 PolarHBondContact O-N 2.93Å; D58-P60 WeakPolarHBondContact O-CD 3.16Å
59	T	30	Very low	41.3	Very low	112 Å²	112	127.1 Å²	127.1	69%	0.687	66%	0.661	S	S	*	*			trans	-44.5	108.9	147.7	-18.9	0	0	0	0	98.5	L57 T61	L57-T59 PolarHBondContact O-N 3.49Å; L57-T59 PolarHBondContact O-OG1 3.47Å; T59-T61 VanDerWaalsContact C-N 3.28Å; T59-T61 PolarHBondContact O-N 2.82Å
60	P	28.5	Very low	43.9	Very low	107 Å²	107	118.7 Å²	118.7	70%	0.695	62%	0.622	S	S	*	*			trans	-49.3	115.1	176.8	19.1	-28.3	0	0	0	102.4	D58 P62	D58-P60 WeakPolarHBondContact O-CD 3.16Å; P60-P62 VanDerWaalsContact C-N 3.35Å; P60-P62 WeakPolarHBondContact O-CD 3.27Å
61	T	29.1	Very low	46.5	Very low	113 Å²	113	117.6 Å²	117.6	69%	0.693	61%	0.607	S	S	*	*			trans	-44.2	116.2	172.4	-49.7	0	0	0	0	101.7	T59 T63	T59-T61 VanDerWaalsContact C-N 3.28Å; T59-T61 PolarHBondContact O-N 2.82Å; T61-T63 PolarHBondContact O-N 2.82Å
62	P	33.6	Very low	48.9	Very low	95 Å²	95	111.7 Å²	111.7	62%	0.617	58%	0.576	S	S	*	*			trans	-49	122.4	-179.5	20.1	-30.5	0	0	0	102.8	P60 T64	P60-P62 VanDerWaalsContact C-N 3.35Å; P60-P62 WeakPolarHBondContact O-CD 3.27Å; P62-T64 PolarHBondContact O-N 2.92Å; P62-T64 PolarHBondContact O-OG1 3.05Å
63	T	35.8	Very low	51.7	Low	135 Å²	135	107.3 Å²	107.3	83%	0.828	55%	0.548	S	S	*	.			trans	-64.2	82.6	-178.1	43.8	0	0	0	0	104.9	T61 R65	T61-T63 PolarHBondContact O-N 2.82Å; T63-R65 VanDerWaalsContact C-N 3.29Å; T63-R65 PolarHBondContact O-N 2.64Å
64	T	41.4	Very low	54.7	Low	75 Å²	75	102.2 Å²	102.2	46%	0.46	52%	0.522	S	S	.	.			trans	-56.9	105.7	165.3	30.4	0	0	0	0	101.2	P62 E66	P62-T64 PolarHBondContact O-N 2.92Å; P62-T64 PolarHBondContact O-OG1 3.05Å; T64-E66 PolarHBondContact O-N 3.29Å
65	R	45.7	Very low	57.7	Low	218 Å²	218	100.8 Å²	100.8	82%	0.823	52%	0.516	S	S	*	.			trans	-58.4	105.9	162	-76.1	178.1	171.5	176.9	-3.2	103.1	T63 T67	T63-R65 VanDerWaalsContact C-N 3.29Å; T63-R65 PolarHBondContact O-N 2.64Å; R65-T67 PolarHBondContact O-N 2.87Å; R65-T67 PolarHBondContact O-OG1 2.6Å
66	E	48.1	Very low	60.6	Low	190 Å²	190	94.1 Å²	94.1	89%	0.888	49%	0.49	S	S	*	.			trans	-60.6	76.7	177.3	-69.3	178.8	161.5	0	0	108.8	T64	T64-E66 PolarHBondContact O-N 3.29Å
67	T	70.5	Confident	63.6	Low	75 Å²	75	87.8 Å²	87.8	46%	0.46	48%	0.476	S	S	.	.			trans	-106.8	99.6	168.8	48.5	0	0	0	0	106.7	R65 F69 Y117	R65-T67 PolarHBondContact O-N 2.87Å; R65-T67 PolarHBondContact O-OG1 2.6Å; T67-F69 PolarHBondContact O-N 2.96Å; T67-Y117 WeakPolarHBondContact O-CD1 3.34Å; T67-Y117 WeakPolarHBondContact O-CE1 3.44Å
68	S	87.9	Confident	66.7	Low	21 Å²	21	81.2 Å²	81.2	15%	0.147	44%	0.441	C	S	.	.			trans	-50.3	123.9	171.8	169.7	0	0	0	0	110.2	V70 E71 K72 E121 R124	S68-V70 VanDerWaalsContact C-N 3.25Å; S68-V70 PolarHBondContact O-N 2.91Å; S68-V70 PolarHBondContact OG-N 2.8Å; S68-E71 PolarHBondContact O-N 2.99Å; S68-E71 PolarHBondContact OG-N 2.85Å; S68-K72 PolarHBondContact O-N 2.92Å; S68-K72 VanDerWaalsContact O-N 3.13Å; S68-E121 WeakPolarHBondContact CA-OE1 3.2Å; S68-E121 WeakPolarHBondContact CA-OE2 3.49Å; S68-E121 WeakPolarHBondContact CB-OE1 3.45Å; S68-E121 WeakPolarHBondContact CB-OE2 3.32Å; S68-E121 PolarHBondContact OG-OE1 2.97Å; S68-E121 PolarHBondContact OG-OE2 2.83Å; S68-R124 PolarHBondContact OG-NH1 2.82Å
69	F	90.8	Very high	69.8	Low	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-69.6	-29.9	177.1	66.2	-94.3	0	0	0	110.9	T67 K72 M73 I81 F83 Y117 E121 L122 L125	T67-F69 PolarHBondContact O-N 2.96Å; F69-K72 WeakPolarHBondContact O-CB 3.11Å; F69-K72 PolarHBondContact O-N 3.2Å; F69-M73 HydrophobicContact CD2-SD 4.1Å; F69-M73 WeakPolarHBondContact O-CB 3.39Å; F69-M73 VanDerWaalsContact O-CG 3.27Å; F69-M73 WeakPolarHBondContact O-CG 3.41Å; F69-M73 PolarHBondContact O-N 3.49Å; F69-I81 HydrophobicContact CB-CD1 4.07Å; F69-I81 HydrophobicContact CD2-CD1 3.52Å; F69-I81 HydrophobicContact CE2-CD1 4.19Å; F69-I81 HydrophobicContact CG-CD1 3.95Å; F69-F83 HydrophobicContact CD1-CZ 4.46Å; F69-F83 HydrophobicContact CD2-CZ 4.43Å; F69-F83 HydrophobicContact CE1-CZ 4.22Å; F69-F83 HydrophobicContact CE2-CZ 4.23Å; F69-F83 HydrophobicContact CZ-CZ 4.13Å; F69-Y117 HydrophobicContact CB-CD1 3.61Å; F69-Y117 HydrophobicContact CB-CE1 3.64Å; F69-Y117 HydrophobicContact CB-CG 4.11Å; F69-Y117 HydrophobicContact CD1-CD1 4.06Å; F69-Y117 HydrophobicContact CD1-CG 4.02Å; F69-Y117 HydrophobicContact CG-CD1 4.34Å; F69-Y117 HydrophobicContact CG-CG 4.49Å; F69-E121 HydrophobicContact CD1-CB 4.29Å; F69-E121 HydrophobicContact CE1-CB 3.56Å; F69-E121 HydrophobicContact CZ-CB 3.83Å; F69-E121 PolarHBondContact N-OE2 2.92Å; F69-L122 HydrophobicContact CZ-CD2 4.17Å; F69-L125 HydrophobicContact CD2-CD2 4.42Å; F69-L125 HydrophobicContact CE2-CD1 4.02Å; F69-L125 HydrophobicContact CE2-CD2 3.79Å; F69-L125 HydrophobicContact CE2-CG 3.8Å; F69-L125 HydrophobicContact CZ-CG 4.44Å
70	V	92.9	Very high	73	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-46.2	176.8	177.5	0	0	0	0	110.7	S68 K72 M73 K74 E121 R124 L125 I128	S68-V70 VanDerWaalsContact C-N 3.25Å; S68-V70 PolarHBondContact O-N 2.91Å; S68-V70 PolarHBondContact OG-N 2.8Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 3.16Å; V70-M73 PolarHBondContact O-N 3.16Å; V70-K74 WeakPolarHBondContact O-CG 3.47Å; V70-K74 PolarHBondContact O-N 3.17Å; V70-E121 HydrophobicContact CG2-CB 4.18Å; V70-R124 HydrophobicContact CG1-CB 4.25Å; V70-R124 HydrophobicContact CG2-CB 4.08Å; V70-L125 HydrophobicContact CG2-CD2 4.31Å; V70-L125 HydrophobicContact CG2-CG 4.37Å; V70-I128 HydrophobicContact CG1-CD1 4.16Å; V70-I128 HydrophobicContact CG1-CG1 4.5Å
71	E	91.8	Very high	76.2	Confident	87 Å²	87	65.7 Å²	65.7	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-37.1	175.8	-66.7	-53.5	133.3	0	0	112.1	S68 K74 K75 R124	S68-E71 PolarHBondContact O-N 2.99Å; S68-E71 PolarHBondContact OG-N 2.85Å; E71-K74 PolarHBondContact O-N 3.16Å; E71-K74 IonicContact OE1-NZ 4Å; E71-K74 PolarHBondContact OE1-NZ 3Å; E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 3.04Å; E71-R124 IonicContact OE1-CZ 3.09Å; E71-R124 IonicContact OE1-NH2 2.65Å; E71-R124 PolarHBondContact OE1-NH2 3.38Å
72	K	90.3	Very high	79.5	Confident	21 Å²	21	60.3 Å²	60.3	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-43.3	173.7	-175.6	175.6	-178.3	170.9	0	111.9	S68 F69 V70 K75 T76 M110 E355 N357	S68-K72 PolarHBondContact O-N 2.92Å; S68-K72 VanDerWaalsContact O-N 3.13Å; F69-K72 WeakPolarHBondContact O-CB 3.11Å; F69-K72 PolarHBondContact O-N 3.2Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 3.16Å; K72-K75 PolarHBondContact O-N 3.29Å; K72-T76 WeakPolarHBondContact O-CB 3.37Å; K72-T76 WeakPolarHBondContact O-CG2 3.5Å; K72-T76 PolarHBondContact O-N 2.98Å; K72-T76 PolarHBondContact O-OG1 3.49Å; K72-M110 HydrophobicContact CD-CE 4.17Å; K72-E355 WeakPolarHBondContact CE-O 3.42Å; K72-E355 PolarHBondContact NZ-O 3.19Å; K72-N357 PolarHBondContact NZ-OD1 2.86Å
73	M	93.8	Very high	82.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-46.5	175.8	-75.8	177.9	73.3	0	0	111.3	F69 V70 K75 T76 G77 K78 I81 M110 L125 I128	F69-M73 HydrophobicContact CD2-SD 4.1Å; F69-M73 WeakPolarHBondContact O-CB 3.39Å; F69-M73 VanDerWaalsContact O-CG 3.27Å; F69-M73 WeakPolarHBondContact O-CG 3.41Å; F69-M73 PolarHBondContact O-N 3.49Å; V70-M73 PolarHBondContact O-N 3.16Å; M73-K75 PolarHBondContact O-N 3.26Å; M73-T76 CarbonylContact O-C 3.58Å; M73-T76 PolarHBondContact O-N 3.38Å; M73-T76 PolarHBondContact O-OG1 2.98Å; M73-G77 WeakPolarHBondContact O-CA 3.38Å; M73-G77 PolarHBondContact O-N 3.08Å; M73-K78 HydrophobicContact CB-CB 4.33Å; M73-K78 HydrophobicContact CG-CB 4.25Å; M73-K78 PolarHBondContact O-N 3.2Å; M73-I81 HydrophobicContact CE-CB 4.07Å; M73-I81 HydrophobicContact CE-CG2 4.3Å; M73-I81 HydrophobicContact SD-CB 3.76Å; M73-I81 HydrophobicContact SD-CD1 4.1Å; M73-I81 HydrophobicContact SD-CG2 4.04Å; M73-M110 HydrophobicContact CG-SD 4Å; M73-L125 HydrophobicContact CE-CD2 4.02Å; M73-L125 HydrophobicContact SD-CD2 3.69Å; M73-I128 HydrophobicContact CB-CD1 3.56Å; M73-I128 HydrophobicContact CE-CD1 4.18Å; M73-I128 HydrophobicContact SD-CD1 4.34Å
74	K	93.1	Very high	85.5	Confident	80 Å²	80	50.6 Å²	50.6	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-57.8	-49.3	174.6	-71	175.4	-174.7	168.3	0	112.3	V70 E71 T76 G77 E127 I128	V70-K74 WeakPolarHBondContact O-CG 3.47Å; V70-K74 PolarHBondContact O-N 3.17Å; E71-K74 PolarHBondContact O-N 3.16Å; E71-K74 IonicContact OE1-NZ 4Å; E71-K74 PolarHBondContact OE1-NZ 3Å; K74-T76 VanDerWaalsContact C-N 3.26Å; K74-T76 PolarHBondContact O-N 3.4Å; K74-G77 PolarHBondContact O-N 3.45Å; K74-E127 WeakPolarHBondContact CE-OE2 3.43Å; K74-E127 IonicContact NZ-OE2 2.87Å; K74-E127 PolarHBondContact NZ-OE2 3.15Å; K74-I128 HydrophobicContact CG-CD1 4.07Å; K74-I128 HydrophobicContact CG-CG1 3.92Å
75	K	92.3	Very high	88.2	Confident	149 Å²	149	47 Å²	47	65%	0.648	23%	0.229	S	C	*	.	H	α-helix	trans	-59.9	-36.4	-179.7	-173.7	-169.3	175.9	-156.1	0	112.3	E71 K72 M73 E355	E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 3.04Å; K72-K75 PolarHBondContact O-N 3.29Å; M73-K75 PolarHBondContact O-N 3.26Å; K75-E355 IonicContact NZ-OE1 3.97Å; K75-E355 PolarHBondContact NZ-OE1 3.08Å; K75-E355 IonicContact NZ-OE2 3.53Å; K75-E355 PolarHBondContact NZ-OE2 3.41Å
76	T	89.5	Confident	90.5	Very high	33 Å²	33	37.5 Å²	37.5	20%	0.202	20%	0.196	C	C	.	.	H	α-helix	trans	-94.3	-2.1	-177.8	55.4	0	0	0	0	113.9	K72 M73 K74 K78 E355	K72-T76 WeakPolarHBondContact O-CB 3.37Å; K72-T76 WeakPolarHBondContact O-CG2 3.5Å; K72-T76 PolarHBondContact O-N 2.98Å; K72-T76 PolarHBondContact O-OG1 3.49Å; M73-T76 CarbonylContact O-C 3.58Å; M73-T76 PolarHBondContact O-N 3.38Å; M73-T76 PolarHBondContact O-OG1 2.98Å; K74-T76 VanDerWaalsContact C-N 3.26Å; K74-T76 PolarHBondContact O-N 3.4Å; T76-K78 VanDerWaalsContact C-N 3.26Å; T76-K78 PolarHBondContact O-N 2.72Å; T76-K78 WeakPolarHBondContact OG1-CD 3.28Å; T76-K78 WeakPolarHBondContact OG1-CG 3.37Å; T76-E355 HydrophobicContact CG2-CB 3.75Å; T76-E355 HydrophobicContact CG2-CG 3.62Å
77	G	92.1	Very high	92.4	Very high	48 Å²	48	29.9 Å²	29.9	50%	0.495	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	32.2	-175.3	0	0	0	0	0	113.2	M73 K74 K108	M73-G77 WeakPolarHBondContact O-CA 3.38Å; M73-G77 PolarHBondContact O-N 3.08Å; K74-G77 PolarHBondContact O-N 3.45Å; G77-K108 WeakPolarHBondContact O-CD 3.23Å
78	K	94.1	Very high	93.1	Very high	16 Å²	16	29.5 Å²	29.5	7%	0.07	16%	0.158	C	C	.	.			trans	-89.7	138.4	176.3	-68.1	176.1	-179	166.3	0	110.2	M73 T76 K108 M110 D353	M73-K78 HydrophobicContact CB-CB 4.33Å; M73-K78 HydrophobicContact CG-CB 4.25Å; M73-K78 PolarHBondContact O-N 3.2Å; T76-K78 VanDerWaalsContact C-N 3.26Å; T76-K78 PolarHBondContact O-N 2.72Å; T76-K78 WeakPolarHBondContact OG1-CD 3.28Å; T76-K78 WeakPolarHBondContact OG1-CG 3.37Å; K78-K108 WeakPolarHBondContact CA-O 3.35Å; K78-K108 HydrophobicContact CB-CB 4.43Å; K78-K108 HydrophobicContact CG-CB 4.07Å; K78-M110 HydrophobicContact CD-CB 3.75Å; K78-M110 HydrophobicContact CD-CG 3.78Å; K78-M110 HydrophobicContact CD-SD 3.81Å; K78-D353 IonicContact NZ-OD1 3.98Å; K78-D353 IonicContact NZ-OD2 2.98Å; K78-D353 PolarHBondContact NZ-OD2 2.84Å
79	N	95.1	Very high	93.1	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.123	16%	0.158	C	C	.	.			trans	-117.4	-14.1	178	68.6	-45.4	0	0	0	112.7	K108 I128 N130 S131 L132	N79-K108 PolarHBondContact N-O 3.18Å; N79-K108 PolarHBondContact OD1-N 3.11Å; N79-K108 PolarHBondContact OD1-O 3.26Å; N79-I128 HydrophobicContact CB-CG2 4.3Å; N79-N130 PolarHBondContact ND2-O 2.98Å; N79-S131 CarbonylContact O-C 3.6Å; N79-S131 WeakPolarHBondContact O-CA 3.47Å; N79-L132 PolarHBondContact O-N 3.02Å
80	I	96.6	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.4	174.7	-60.5	-175.9	0	0	0	110.1	V82 A102 M107 K108 G109 M110 L132 I134 W225	I80-V82 HydrophobicContact CG2-CG2 4.01Å; I80-A102 HydrophobicContact CD1-CB 3.92Å; I80-M107 HydrophobicContact CD1-CB 3.93Å; I80-M107 HydrophobicContact CD1-CE 3.88Å; I80-M107 HydrophobicContact CD1-CG 4.43Å; I80-M107 HydrophobicContact CD1-SD 3.66Å; I80-M107 HydrophobicContact CG1-CB 4.43Å; I80-M107 HydrophobicContact CG1-SD 4.38Å; I80-K108 PolarHBondContact N-O 3.21Å; I80-G109 CarbonylContact O-C 3.59Å; I80-G109 VanDerWaalsContact O-CA 3.28Å; I80-G109 WeakPolarHBondContact O-CA 3.42Å; I80-M110 PolarHBondContact O-N 2.97Å; I80-L132 WeakPolarHBondContact CA-O 3.48Å; I80-L132 HydrophobicContact CD1-CD2 4.44Å; I80-L132 HydrophobicContact CG1-CB 4.32Å; I80-I134 HydrophobicContact CG2-CD1 3.87Å; I80-I134 HydrophobicContact CG2-CG1 4.41Å; I80-W225 HydrophobicContact CD1-CH2 4Å; I80-W225 HydrophobicContact CD1-CZ3 3.83Å
81	I	96.8	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137	167.3	-172	162.2	0	0	0	110.1	F69 M73 F83 M110 A112 L125 L132 A133 I134	F69-I81 HydrophobicContact CB-CD1 4.07Å; F69-I81 HydrophobicContact CD2-CD1 3.52Å; F69-I81 HydrophobicContact CE2-CD1 4.19Å; F69-I81 HydrophobicContact CG-CD1 3.95Å; M73-I81 HydrophobicContact CE-CB 4.07Å; M73-I81 HydrophobicContact CE-CG2 4.3Å; M73-I81 HydrophobicContact SD-CB 3.76Å; M73-I81 HydrophobicContact SD-CD1 4.1Å; M73-I81 HydrophobicContact SD-CG2 4.04Å; I81-F83 HydrophobicContact CD1-CE1 3.94Å; I81-F83 HydrophobicContact CD1-CE2 3.96Å; I81-F83 HydrophobicContact CD1-CZ 3.48Å; I81-F83 VanDerWaalsContact CD1-CZ 3.48Å; I81-F83 HydrophobicContact CG1-CD2 4.44Å; I81-F83 HydrophobicContact CG1-CE1 4.41Å; I81-F83 HydrophobicContact CG1-CE2 4Å; I81-F83 HydrophobicContact CG1-CZ 3.99Å; I81-F83 HydrophobicContact CG2-CE2 3.89Å; I81-F83 HydrophobicContact CG2-CZ 4.48Å; I81-M110 CarbonylContact C-O 3.58Å; I81-M110 WeakPolarHBondContact CA-O 3.25Å; I81-M110 HydrophobicContact CG1-CG 4.27Å; I81-A112 HydrophobicContact CD1-CB 3.94Å; I81-A112 HydrophobicContact CG1-CB 4.07Å; I81-L125 HydrophobicContact CG2-CD1 4.16Å; I81-L125 HydrophobicContact CG2-CD2 4.26Å; I81-L132 PolarHBondContact N-O 3.2Å; I81-A133 HydrophobicContact CG2-CB 4.17Å; I81-A133 WeakPolarHBondContact O-CA 3.32Å; I81-I134 PolarHBondContact O-N 3.3Å
82	V	97.8	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	105.4	-179.1	-164.2	0	0	0	0	109.8	I80 A95 L98 A99 M110 A111 A112 I134	I80-V82 HydrophobicContact CG2-CG2 4.01Å; V82-A95 HydrophobicContact CB-CB 4.12Å; V82-A95 HydrophobicContact CG1-CB 3.52Å; V82-L98 HydrophobicContact CG1-CB 4.37Å; V82-L98 HydrophobicContact CG1-CD1 4.28Å; V82-L98 HydrophobicContact CG2-CB 4.15Å; V82-A99 HydrophobicContact CG2-CB 4.26Å; V82-M110 PolarHBondContact N-O 3.45Å; V82-A111 CarbonylContact O-C 3.57Å; V82-A111 VanDerWaalsContact O-CA 3.27Å; V82-A111 WeakPolarHBondContact O-CA 3.48Å; V82-A112 PolarHBondContact O-N 2.84Å; V82-I134 CarbonylContact C-O 3.22Å; V82-I134 VanDerWaalsContact CA-O 3.29Å; V82-I134 WeakPolarHBondContact CA-O 3.22Å; V82-I134 HydrophobicContact CB-CB 4.33Å; V82-I134 HydrophobicContact CG1-CB 3.86Å; V82-I134 HydrophobicContact CG1-CG2 3.92Å; V82-I134 HydrophobicContact CG2-CB 4.14Å; V82-I134 HydrophobicContact CG2-CD1 4.03Å; V82-I134 HydrophobicContact CG2-CG1 4.47Å
83	F	98.1	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.6	175.3	-66.4	-76.3	0	0	0	110.8	F69 I81 A112 P114 Y117 M119 L122 I134 F135 C136	F69-F83 HydrophobicContact CD1-CZ 4.46Å; F69-F83 HydrophobicContact CD2-CZ 4.43Å; F69-F83 HydrophobicContact CE1-CZ 4.22Å; F69-F83 HydrophobicContact CE2-CZ 4.23Å; F69-F83 HydrophobicContact CZ-CZ 4.13Å; I81-F83 HydrophobicContact CD1-CE1 3.94Å; I81-F83 HydrophobicContact CD1-CE2 3.96Å; I81-F83 HydrophobicContact CD1-CZ 3.48Å; I81-F83 VanDerWaalsContact CD1-CZ 3.48Å; I81-F83 HydrophobicContact CG1-CD2 4.44Å; I81-F83 HydrophobicContact CG1-CE1 4.41Å; I81-F83 HydrophobicContact CG1-CE2 4Å; I81-F83 HydrophobicContact CG1-CZ 3.99Å; I81-F83 HydrophobicContact CG2-CE2 3.89Å; I81-F83 HydrophobicContact CG2-CZ 4.48Å; F83-A112 WeakPolarHBondContact CA-O 3.47Å; F83-A112 HydrophobicContact CD1-CB 3.81Å; F83-A112 HydrophobicContact CE1-CB 3.82Å; F83-P114 HydrophobicContact CD1-CB 4.14Å; F83-Y117 HydrophobicContact CE1-CD2 4.36Å; F83-M119 HydrophobicContact CD1-CE 3.98Å; F83-M119 HydrophobicContact CD1-SD 4.33Å; F83-M119 HydrophobicContact CD2-CE 4.3Å; F83-M119 HydrophobicContact CE1-CE 4.1Å; F83-M119 HydrophobicContact CE1-SD 3.9Å; F83-M119 HydrophobicContact CE2-CE 4.41Å; F83-M119 HydrophobicContact CG-CE 4.07Å; F83-M119 HydrophobicContact CZ-CE 4.31Å; F83-M119 HydrophobicContact CZ-SD 4.11Å; F83-L122 HydrophobicContact CE2-CD2 3.93Å; F83-L122 HydrophobicContact CZ-CD2 4.5Å; F83-I134 PolarHBondContact N-O 3.26Å; F83-F135 HydrophobicContact CB-CD1 3.83Å; F83-F135 HydrophobicContact CB-CE1 4.13Å; F83-F135 HydrophobicContact CD2-CD1 4.08Å; F83-F135 AromaticContact CD2-CE1 3.59Å; F83-F135 HydrophobicContact CD2-CE1 3.59Å; F83-F135 HydrophobicContact CD2-CZ 4.02Å; F83-F135 HydrophobicContact CE2-CE1 4.35Å; F83-F135 HydrophobicContact CE2-CZ 4.5Å; F83-F135 HydrophobicContact CG-CD1 4.33Å; F83-F135 HydrophobicContact CG-CE1 4.13Å; F83-C136 PolarHBondContact O-N 2.96Å
84	Y	97.9	Very high	93.5	Very high	27 Å²	27	29.3 Å²	29.3	11%	0.106	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.1	175.1	53.1	-92.5	0	0	0	112.5	E92 A95 A111 A112 D113 P114 C136 N148	Y84-E92 HydrophobicContact CD1-CB 4.43Å; Y84-E92 HydrophobicContact CD1-CG 4.29Å; Y84-E92 HydrophobicContact CD2-CB 3.62Å; Y84-E92 HydrophobicContact CD2-CG 3.95Å; Y84-E92 HydrophobicContact CE1-CG 4.06Å; Y84-E92 HydrophobicContact CE2-CB 3.88Å; Y84-E92 HydrophobicContact CE2-CG 3.7Å; Y84-E92 HydrophobicContact CG-CB 3.93Å; Y84-E92 HydrophobicContact CG-CG 4.24Å; Y84-A95 HydrophobicContact CD1-CB 3.75Å; Y84-A95 HydrophobicContact CG-CB 4.22Å; Y84-A111 HydrophobicContact CD1-CB 4.4Å; Y84-A111 HydrophobicContact CE1-CB 4.22Å; Y84-A112 VanDerWaalsContact CD1-O 3.23Å; Y84-A112 WeakPolarHBondContact CD1-O 3.35Å; Y84-A112 VanDerWaalsContact CE1-O 3.29Å; Y84-A112 WeakPolarHBondContact CE1-O 3.32Å; Y84-A112 PolarHBondContact N-O 3.02Å; Y84-D113 HydrophobicContact CE2-CB 4.01Å; Y84-P114 WeakPolarHBondContact O-CD 3.46Å; Y84-C136 CarbonylContact C-O 3.53Å; Y84-C136 WeakPolarHBondContact CA-O 3.32Å; Y84-N148 PolarHBondContact O-ND2 3.18Å
85	G	97.4	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.7	161.3	0	0	0	0	0	108.9	A91 C136 A138 T146	G85-A91 VanDerWaalsContact O-CB 3.28Å; G85-A91 WeakPolarHBondContact O-CB 3.45Å; G85-C136 PolarHBondContact N-O 3.01Å; G85-A138 VanDerWaalsContact O-CB 3.31Å; G85-A138 WeakPolarHBondContact O-CB 3.49Å; G85-A138 PolarHBondContact O-N 3.4Å; G85-T146 WeakPolarHBondContact CA-OG1 3.36Å
86	S	94.3	Very high	93.5	Very high	18 Å²	18	20 Å²	20	13%	0.126	12%	0.122	C	C	.	.			trans	-137.4	130.2	-173.1	-147.9	0	0	0	0	114.1	G89 T90 A91 T146 N148	S86-G89 WeakPolarHBondContact OG-CA 3.25Å; S86-G89 PolarHBondContact OG-N 3.49Å; S86-G89 VanDerWaalsContact OG-N 3.15Å; S86-T90 PolarHBondContact OG-N 2.92Å; S86-A91 PolarHBondContact OG-N 2.94Å; S86-T146 PolarHBondContact N-OG1 3.24Å; S86-T146 VanDerWaalsContact N-OG1 3.12Å; S86-N148 PolarHBondContact N-OD1 3.16Å; S86-N148 PolarHBondContact O-OD1 3.1Å
87	Q	87.4	Confident	93.5	Very high	29 Å²	29	19.2 Å²	19.2	14%	0.136	12%	0.116	C	C	.	.	S	Bend	trans	-95.9	-35	174.2	-160	69.7	28.3	0	0	112.8	Y140 T146 D147	Q87-Y140 HydrophobicContact CB-CD2 4.02Å; Q87-Y140 HydrophobicContact CB-CE2 4.14Å; Q87-Y140 HydrophobicContact CG-CD2 4.06Å; Q87-Y140 HydrophobicContact CG-CE1 4.35Å; Q87-Y140 HydrophobicContact CG-CE2 3.88Å; Q87-Y140 HydrophobicContact CG-CG 4.37Å; Q87-T146 HydrophobicContact CB-CG2 4.14Å; Q87-D147 PolarHBondContact NE2-OD2 3.41Å; Q87-D147 VanDerWaalsContact OE1-N 3.16Å
88	T	85.6	Confident	93.5	Very high	67 Å²	67	17 Å²	17	41%	0.411	9%	0.092	S	C	.	.	S	Bend	trans	-124.7	13.1	-173	54.5	0	0	0	0	113	Q453	T88-Q453 PolarHBondContact O-NE2 3.15Å; T88-Q453 PolarHBondContact O-OE1 3.23Å
89	G	88.6	Confident	93.4	Very high	16 Å²	16	16.8 Å²	16.8	17%	0.165	9%	0.094	C	C	.	.	S	Bend	trans	87.8	-7.7	173.6	0	0	0	0	0	116.2	S86 E92 E93	S86-G89 WeakPolarHBondContact OG-CA 3.25Å; S86-G89 PolarHBondContact OG-N 3.49Å; S86-G89 VanDerWaalsContact OG-N 3.15Å; G89-E92 PolarHBondContact O-N 3.35Å; G89-E93 PolarHBondContact O-N 2.97Å
90	T	91.7	Very high	93	Very high	30 Å²	30	18.3 Å²	18.3	18%	0.184	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-47.3	-178.3	-55.9	0	0	0	0	113	S86 E92 E93 F94 L174 L213	S86-T90 PolarHBondContact OG-N 2.92Å; T90-E92 VanDerWaalsContact C-N 3.34Å; T90-E93 PolarHBondContact O-N 3.28Å; T90-F94 HydrophobicContact CG2-CD2 4.4Å; T90-F94 HydrophobicContact CG2-CE2 3.89Å; T90-F94 HydrophobicContact CG2-CZ 4.04Å; T90-F94 PolarHBondContact O-N 2.81Å; T90-F94 VanDerWaalsContact O-N 3.08Å; T90-L174 HydrophobicContact CG2-CD2 3.6Å; T90-L213 HydrophobicContact CG2-CD2 3.81Å
91	A	96.1	Very high	92.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.3	-35.9	178	0	0	0	0	0	111.9	G85 S86 E93 F94 A95 C136 A138 L174	G85-A91 VanDerWaalsContact O-CB 3.28Å; G85-A91 WeakPolarHBondContact O-CB 3.45Å; S86-A91 PolarHBondContact OG-N 2.94Å; A91-E93 VanDerWaalsContact C-N 3.33Å; A91-E93 PolarHBondContact O-N 3.33Å; A91-F94 PolarHBondContact O-N 3.46Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.91Å; A91-C136 HydrophobicContact CB-CB 4.15Å; A91-C136 WeakPolarHBondContact CB-O 3.29Å; A91-A138 HydrophobicContact CB-CB 4.47Å; A91-L174 HydrophobicContact CB-CD1 3.81Å; A91-L174 HydrophobicContact CB-CD2 3.83Å
92	E	94.1	Very high	92.3	Very high	48 Å²	48	18.7 Å²	18.7	22%	0.224	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-44.2	172.5	-180	-173.5	173.8	0	0	110.9	Y84 G89 T90 A95 N96 K358	Y84-E92 HydrophobicContact CD1-CB 4.43Å; Y84-E92 HydrophobicContact CD1-CG 4.29Å; Y84-E92 HydrophobicContact CD2-CB 3.62Å; Y84-E92 HydrophobicContact CD2-CG 3.95Å; Y84-E92 HydrophobicContact CE1-CG 4.06Å; Y84-E92 HydrophobicContact CE2-CB 3.88Å; Y84-E92 HydrophobicContact CE2-CG 3.7Å; Y84-E92 HydrophobicContact CG-CB 3.93Å; Y84-E92 HydrophobicContact CG-CG 4.24Å; G89-E92 PolarHBondContact O-N 3.35Å; T90-E92 VanDerWaalsContact C-N 3.34Å; E92-A95 PolarHBondContact O-N 3.43Å; E92-N96 PolarHBondContact O-N 2.99Å; E92-N96 PolarHBondContact O-ND2 3.03Å; E92-K358 IonicContact OE1-NZ 2.72Å; E92-K358 PolarHBondContact OE1-NZ 3.04Å
93	E	90.1	Very high	91.7	Very high	31 Å²	31	24.1 Å²	24.1	15%	0.145	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-46.3	177.7	-168.5	-172.2	148.1	0	0	111.9	G89 T90 A91 A95 N96 R97 R383 N385	G89-E93 PolarHBondContact O-N 2.97Å; T90-E93 PolarHBondContact O-N 3.28Å; A91-E93 VanDerWaalsContact C-N 3.33Å; A91-E93 PolarHBondContact O-N 3.33Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 3.13Å; E93-N96 PolarHBondContact O-N 3.35Å; E93-R97 WeakPolarHBondContact O-CG 3.41Å; E93-R97 PolarHBondContact O-N 3.41Å; E93-R383 WeakPolarHBondContact OE1-CD 3.39Å; E93-R383 IonicContact OE1-CZ 3.89Å; E93-R383 IonicContact OE1-NE 2.69Å; E93-R383 IonicContact OE1-NH1 3.94Å; E93-R383 WeakPolarHBondContact OE2-CD 3.27Å; E93-R383 IonicContact OE2-CZ 3.64Å; E93-R383 IonicContact OE2-NE 3.51Å; E93-R383 PolarHBondContact OE2-NE 3.02Å; E93-R383 IonicContact OE2-NH1 3.67Å; E93-R383 PolarHBondContact OE2-NH1 2.81Å; E93-R383 IonicContact OE2-NH2 2.74Å; E93-R383 PolarHBondContact OE2-NH2 3.15Å; E93-R383 VanDerWaalsContact OE2-NH2 3.13Å; E93-N385 PolarHBondContact OE1-ND2 3.03Å
94	F	94.3	Very high	91	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-41.9	175.5	-69.4	-17.3	0	0	0	112	T90 A91 N96 R97 L98 F172 L174 L213 E214 F217	T90-F94 HydrophobicContact CG2-CD2 4.4Å; T90-F94 HydrophobicContact CG2-CE2 3.89Å; T90-F94 HydrophobicContact CG2-CZ 4.04Å; T90-F94 PolarHBondContact O-N 2.81Å; T90-F94 VanDerWaalsContact O-N 3.08Å; A91-F94 PolarHBondContact O-N 3.46Å; F94-N96 PolarHBondContact O-N 3.43Å; F94-R97 PolarHBondContact O-N 3.32Å; F94-L98 WeakPolarHBondContact O-CG 3.22Å; F94-L98 PolarHBondContact O-N 2.89Å; F94-F172 HydrophobicContact CD2-CD1 4.18Å; F94-F172 AromaticContact CD2-CE1 3.92Å; F94-F172 HydrophobicContact CD2-CE1 3.92Å; F94-F172 AromaticContact CE2-CE1 3.89Å; F94-F172 HydrophobicContact CE2-CE1 3.89Å; F94-L174 HydrophobicContact CD2-CD1 4.49Å; F94-L174 HydrophobicContact CD2-CD2 3.65Å; F94-L174 HydrophobicContact CD2-CG 4.18Å; F94-L174 HydrophobicContact CE2-CD2 3.71Å; F94-L174 HydrophobicContact CE2-CG 4.25Å; F94-L213 HydrophobicContact CE2-CD1 4.31Å; F94-L213 HydrophobicContact CE2-CD2 4.46Å; F94-L213 HydrophobicContact CE2-CG 4.02Å; F94-L213 HydrophobicContact CZ-CG 4.21Å; F94-E214 WeakPolarHBondContact CE1-OE2 3.37Å; F94-F217 HydrophobicContact CB-CD2 4.07Å; F94-F217 HydrophobicContact CB-CE1 4.35Å; F94-F217 HydrophobicContact CB-CE2 3.65Å; F94-F217 HydrophobicContact CB-CZ 3.79Å; F94-F217 HydrophobicContact CD1-CB 4.44Å; F94-F217 AromaticContact CD1-CD1 3.5Å; F94-F217 HydrophobicContact CD1-CD1 3.5Å; F94-F217 HydrophobicContact CD1-CD2 4.09Å; F94-F217 AromaticContact CD1-CE1 3.65Å; F94-F217 HydrophobicContact CD1-CE1 3.65Å; F94-F217 HydrophobicContact CD1-CE2 4.21Å; F94-F217 AromaticContact CD1-CG 3.73Å; F94-F217 HydrophobicContact CD1-CG 3.73Å; F94-F217 HydrophobicContact CD1-CZ 4Å; F94-F217 HydrophobicContact CD2-CB 4.27Å; F94-F217 AromaticContact CD2-CD2 3.76Å; F94-F217 HydrophobicContact CD2-CD2 3.76Å; F94-F217 HydrophobicContact CD2-CE2 4.23Å; F94-F217 AromaticContact CD2-CG 3.92Å; F94-F217 HydrophobicContact CD2-CG 3.92Å; F94-F217 HydrophobicContact CE1-CB 3.98Å; F94-F217 AromaticContact CE1-CD1 3.57Å; F94-F217 HydrophobicContact CE1-CD1 3.57Å; F94-F217 HydrophobicContact CE1-CD2 4.45Å; F94-F217 HydrophobicContact CE1-CE1 4.17Å; F94-F217 AromaticContact CE1-CG 3.72Å; F94-F217 HydrophobicContact CE1-CG 3.72Å; F94-F217 HydrophobicContact CE2-CB 3.81Å; F94-F217 HydrophobicContact CE2-CD2 4.19Å; F94-F217 AromaticContact CE2-CG 3.94Å; F94-F217 HydrophobicContact CE2-CG 3.94Å; F94-F217 HydrophobicContact CG-CD1 4.03Å; F94-F217 AromaticContact CG-CD2 3.72Å; F94-F217 HydrophobicContact CG-CD2 3.72Å; F94-F217 HydrophobicContact CG-CE1 4.1Å; F94-F217 AromaticContact CG-CE2 3.8Å; F94-F217 HydrophobicContact CG-CE2 3.8Å; F94-F217 AromaticContact CG-CG 3.83Å; F94-F217 HydrophobicContact CG-CG 3.83Å; F94-F217 AromaticContact CG-CZ 3.98Å; F94-F217 HydrophobicContact CG-CZ 3.98Å; F94-F217 HydrophobicContact CZ-CB 3.65Å; F94-F217 HydrophobicContact CZ-CD1 4.15Å; F94-F217 AromaticContact CZ-CG 3.84Å; F94-F217 HydrophobicContact CZ-CG 3.84Å
95	A	95.6	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-44.1	176.3	0	0	0	0	0	112.7	V82 Y84 A91 E92 E93 R97 L98 A99 A111 C136	V82-A95 HydrophobicContact CB-CB 4.12Å; V82-A95 HydrophobicContact CG1-CB 3.52Å; Y84-A95 HydrophobicContact CD1-CB 3.75Å; Y84-A95 HydrophobicContact CG-CB 4.22Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.91Å; E92-A95 PolarHBondContact O-N 3.43Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 3.13Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 3.26Å; A95-L98 PolarHBondContact O-N 3.35Å; A95-A99 WeakPolarHBondContact O-CB 3.43Å; A95-A99 PolarHBondContact O-N 3.41Å; A95-A111 HydrophobicContact CB-CB 4.24Å; A95-C136 HydrophobicContact CB-CB 4.41Å
96	N	90.6	Very high	89.8	Confident	33 Å²	33	30.8 Å²	30.8	18%	0.176	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-38.1	175.8	-76.8	-67.3	0	0	0	112.1	E92 E93 F94 A99 K100 A111	E92-N96 PolarHBondContact O-N 2.99Å; E92-N96 PolarHBondContact O-ND2 3.03Å; E93-N96 PolarHBondContact O-N 3.35Å; F94-N96 PolarHBondContact O-N 3.43Å; N96-A99 PolarHBondContact O-N 2.87Å; N96-K100 WeakPolarHBondContact O-CB 3.35Å; N96-K100 PolarHBondContact O-N 2.88Å; N96-A111 WeakPolarHBondContact OD1-CB 3.02Å
97	R	88.9	Confident	89.6	Confident	17 Å²	17	30.3 Å²	30.3	6%	0.064	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-45.7	175.8	-72.8	165.5	62.8	177	-2	111.7	E93 F94 A95 K100 D101 E214	E93-R97 WeakPolarHBondContact O-CG 3.41Å; E93-R97 PolarHBondContact O-N 3.41Å; F94-R97 PolarHBondContact O-N 3.32Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 3.26Å; R97-K100 PolarHBondContact O-N 3.03Å; R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 VanDerWaalsContact O-CG 3.3Å; R97-D101 PolarHBondContact O-N 2.88Å; R97-E214 IonicContact CZ-OE1 2.85Å; R97-E214 VanDerWaalsContact NH1-CD 3.25Å; R97-E214 IonicContact NH1-OE1 3.5Å; R97-E214 PolarHBondContact NH1-OE1 3.46Å; R97-E214 IonicContact NH1-OE2 3.91Å; R97-E214 PolarHBondContact NH1-OE2 3.36Å; R97-E214 IonicContact NH2-OE1 3.56Å; R97-E214 PolarHBondContact NH2-OE1 2.93Å
98	L	93.1	Very high	89.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-41.2	176.4	-65.5	176	0	0	0	111.9	V82 F94 A95 K100 D101 A102 I134 F217 W220 R221 F224 W225	V82-L98 HydrophobicContact CG1-CB 4.37Å; V82-L98 HydrophobicContact CG1-CD1 4.28Å; V82-L98 HydrophobicContact CG2-CB 4.15Å; F94-L98 WeakPolarHBondContact O-CG 3.22Å; F94-L98 PolarHBondContact O-N 2.89Å; A95-L98 PolarHBondContact O-N 3.35Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.24Å; L98-D101 PolarHBondContact O-N 3.47Å; L98-A102 PolarHBondContact O-N 2.81Å; L98-A102 VanDerWaalsContact O-N 3.16Å; L98-I134 HydrophobicContact CD1-CG2 3.83Å; L98-F217 HydrophobicContact CD1-CE2 4.09Å; L98-F217 HydrophobicContact CD1-CZ 4.36Å; L98-F217 HydrophobicContact CD2-CE2 4.22Å; L98-F217 HydrophobicContact CD2-CZ 3.93Å; L98-F217 HydrophobicContact CG-CE2 4.13Å; L98-F217 HydrophobicContact CG-CZ 3.89Å; L98-W220 HydrophobicContact CD1-CH2 4.29Å; L98-W220 HydrophobicContact CD1-CZ3 3.87Å; L98-W220 HydrophobicContact CD2-CZ3 4.05Å; L98-R221 HydrophobicContact CD2-CG 3.84Å; L98-F224 HydrophobicContact CD2-CD1 4.31Å; L98-F224 HydrophobicContact CD2-CE1 4.32Å; L98-W225 HydrophobicContact CB-CZ2 4.42Å; L98-W225 HydrophobicContact CD2-CZ2 4.21Å; L98-W225 VanDerWaalsContact O-CZ2 3.22Å; L98-W225 WeakPolarHBondContact O-CZ2 3.27Å
99	A	92	Very high	90.1	Very high	12 Å²	12	32.3 Å²	32.3	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-38.5	175.7	0	0	0	0	0	112.3	V82 A95 N96 A102 A111	V82-A99 HydrophobicContact CG2-CB 4.26Å; A95-A99 WeakPolarHBondContact O-CB 3.43Å; A95-A99 PolarHBondContact O-N 3.41Å; N96-A99 PolarHBondContact O-N 2.87Å; A99-A102 WeakPolarHBondContact O-CB 3.49Å; A99-A111 HydrophobicContact CB-CB 4.25Å
100	K	86.7	Confident	90.3	Very high	55 Å²	55	32 Å²	32	24%	0.239	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-43.7	175.2	-172.7	-176.8	-178.4	-178.2	0	111.9	N96 R97 L98 A102 Q103 I243 E389	N96-K100 WeakPolarHBondContact O-CB 3.35Å; N96-K100 PolarHBondContact O-N 2.88Å; R97-K100 PolarHBondContact O-N 3.03Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.24Å; K100-A102 PolarHBondContact O-N 3.13Å; K100-Q103 PolarHBondContact O-N 3.12Å; K100-I243 WeakPolarHBondContact CE-O 3.36Å; K100-I243 PolarHBondContact NZ-O 3.24Å; K100-E389 IonicContact NZ-OE1 3.37Å; K100-E389 PolarHBondContact NZ-OE1 3.16Å
101	D	88.3	Confident	90.4	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-29.8	-178.3	-76	-24.5	0	0	0	111.9	R97 L98 Q103 R104 Y105 R221 W225	R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 VanDerWaalsContact O-CG 3.3Å; R97-D101 PolarHBondContact O-N 2.88Å; L98-D101 PolarHBondContact O-N 3.47Å; D101-Q103 PolarHBondContact O-N 2.84Å; D101-Q103 VanDerWaalsContact O-N 3.08Å; D101-R104 VanDerWaalsContact O-CB 3.3Å; D101-R104 WeakPolarHBondContact O-CB 3.36Å; D101-R104 PolarHBondContact O-N 3.19Å; D101-R104 IonicContact OD1-CZ 2.99Å; D101-R104 IonicContact OD1-NE 2.67Å; D101-R104 IonicContact OD1-NH1 3.16Å; D101-R104 PolarHBondContact OD1-NH1 3.23Å; D101-Y105 HydrophobicContact CB-CE2 4.48Å; D101-Y105 VanDerWaalsContact O-CD2 3.23Å; D101-Y105 WeakPolarHBondContact O-CD2 3.39Å; D101-R221 IonicContact OD1-NH1 3.94Å; D101-R221 WeakPolarHBondContact OD2-CD 3.11Å; D101-R221 IonicContact OD2-CZ 2.9Å; D101-R221 IonicContact OD2-NE 3.26Å; D101-R221 IonicContact OD2-NH1 2.7Å; D101-R221 PolarHBondContact OD2-NH1 3.4Å; D101-W225 HydrophobicContact CB-CZ2 3.5Å; D101-W225 VanDerWaalsContact CB-CZ2 3.5Å
102	A	90.3	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-48.7	-39.3	177	0	0	0	0	0	113.6	I80 L98 A99 K100 R104 Y105 M107 W225	I80-A102 HydrophobicContact CD1-CB 3.92Å; L98-A102 PolarHBondContact O-N 2.81Å; L98-A102 VanDerWaalsContact O-N 3.16Å; A99-A102 WeakPolarHBondContact O-CB 3.49Å; K100-A102 PolarHBondContact O-N 3.13Å; A102-R104 VanDerWaalsContact C-N 3.26Å; A102-R104 PolarHBondContact O-N 2.97Å; A102-Y105 PolarHBondContact O-N 3.23Å; A102-Y105 VanDerWaalsContact O-N 3.11Å; A102-M107 CarbonylContact C-O 3.6Å; A102-M107 VanDerWaalsContact C-O 3.22Å; A102-M107 HydrophobicContact CB-CB 4.31Å; A102-M107 CarbonylContact O-C 3.6Å; A102-M107 WeakPolarHBondContact O-CA 3.39Å; A102-M107 PolarHBondContact O-N 3.45Å; A102-W225 HydrophobicContact CB-CH2 3.93Å
103	Q	85.4	Confident	90.3	Very high	113 Å²	113	30.7 Å²	30.7	53%	0.528	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-62.4	-31.8	179.5	-172.1	173.6	-2.8	0	0	113	K100 D101 Y105 G106 M107 I243	K100-Q103 PolarHBondContact O-N 3.12Å; D101-Q103 PolarHBondContact O-N 2.84Å; D101-Q103 VanDerWaalsContact O-N 3.08Å; Q103-Y105 PolarHBondContact O-N 3.15Å; Q103-G106 PolarHBondContact O-N 3.47Å; Q103-M107 WeakPolarHBondContact CA-O 3.31Å; Q103-M107 PolarHBondContact N-O 3.27Å; Q103-I243 HydrophobicContact CG-CD1 4.42Å
104	R	82.3	Confident	90.5	Very high	58 Å²	58	29.4 Å²	29.4	22%	0.219	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-70.2	-20.8	178.9	-59.2	176.4	174.5	-179.3	-6.7	112.4	D101 A102 S237	D101-R104 VanDerWaalsContact O-CB 3.3Å; D101-R104 WeakPolarHBondContact O-CB 3.36Å; D101-R104 PolarHBondContact O-N 3.19Å; D101-R104 IonicContact OD1-CZ 2.99Å; D101-R104 IonicContact OD1-NE 2.67Å; D101-R104 IonicContact OD1-NH1 3.16Å; D101-R104 PolarHBondContact OD1-NH1 3.23Å; A102-R104 VanDerWaalsContact C-N 3.26Å; A102-R104 PolarHBondContact O-N 2.97Å; R104-S237 PolarHBondContact O-N 2.85Å
105	Y	84.9	Confident	90.5	Very high	56 Å²	56	33.6 Å²	33.6	22%	0.22	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-107.7	25	-177.9	-60.1	-77.6	0	0	0	112.4	D101 A102 Q103 M107 W225 C229 A236	D101-Y105 HydrophobicContact CB-CE2 4.48Å; D101-Y105 VanDerWaalsContact O-CD2 3.23Å; D101-Y105 WeakPolarHBondContact O-CD2 3.39Å; A102-Y105 PolarHBondContact O-N 3.23Å; A102-Y105 VanDerWaalsContact O-N 3.11Å; Q103-Y105 PolarHBondContact O-N 3.15Å; Y105-M107 PolarHBondContact O-N 3.29Å; Y105-W225 HydrophobicContact CD1-CB 4.32Å; Y105-W225 HydrophobicContact CD2-CB 4.1Å; Y105-W225 AromaticContact CD2-CD2 3.49Å; Y105-W225 HydrophobicContact CD2-CD2 3.49Å; Y105-W225 VanDerWaalsContact CD2-CD2 3.49Å; Y105-W225 AromaticContact CD2-CE3 3.56Å; Y105-W225 HydrophobicContact CD2-CE3 3.56Å; Y105-W225 AromaticContact CD2-CG 3.75Å; Y105-W225 HydrophobicContact CD2-CG 3.75Å; Y105-W225 HydrophobicContact CD2-CZ3 4.21Å; Y105-W225 HydrophobicContact CE1-CB 3.79Å; Y105-W225 HydrophobicContact CE1-CG 4.38Å; Y105-W225 HydrophobicContact CE2-CB 3.56Å; Y105-W225 AromaticContact CE2-CD1 3.52Å; Y105-W225 AromaticContact CE2-CD2 3.46Å; Y105-W225 HydrophobicContact CE2-CD2 3.46Å; Y105-W225 VanDerWaalsContact CE2-CD2 3.46Å; Y105-W225 AromaticContact CE2-CE2 3.93Å; Y105-W225 HydrophobicContact CE2-CE3 4.04Å; Y105-W225 AromaticContact CE2-CG 3.22Å; Y105-W225 HydrophobicContact CE2-CG 3.22Å; Y105-W225 AromaticContact CE2-NE1 3.91Å; Y105-W225 HydrophobicContact CG-CB 4.46Å; Y105-W225 HydrophobicContact CG-CD2 4.32Å; Y105-W225 HydrophobicContact CG-CE3 4.07Å; Y105-W225 AromaticContact CZ-CD1 3.95Å; Y105-W225 AromaticContact CZ-CG 3.58Å; Y105-C229 VanDerWaalsContact CD1-SG 3.58Å; Y105-A236 HydrophobicContact CD1-CB 3.9Å; Y105-A236 HydrophobicContact CE1-CB 4.14Å
106	G	85	Confident	90.2	Very high	54 Å²	54	37.7 Å²	37.7	56%	0.557	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	11.1	178.2	0	0	0	0	0	114.7	Q103 S237	Q103-G106 PolarHBondContact O-N 3.47Å; G106-S237 WeakPolarHBondContact CA-OG 3.34Å; G106-S237 PolarHBondContact N-OG 3.1Å
107	M	90.3	Very high	90.2	Very high	7 Å²	7	37 Å²	37	3%	0.034	19%	0.192	C	C	.	.			trans	-112.3	172.7	-178.5	-65.8	178.6	-72	0	0	110.8	I80 A102 Q103 Y105 W225 V228 V234	I80-M107 HydrophobicContact CD1-CB 3.93Å; I80-M107 HydrophobicContact CD1-CE 3.88Å; I80-M107 HydrophobicContact CD1-CG 4.43Å; I80-M107 HydrophobicContact CD1-SD 3.66Å; I80-M107 HydrophobicContact CG1-CB 4.43Å; I80-M107 HydrophobicContact CG1-SD 4.38Å; A102-M107 CarbonylContact C-O 3.6Å; A102-M107 VanDerWaalsContact C-O 3.22Å; A102-M107 HydrophobicContact CB-CB 4.31Å; A102-M107 CarbonylContact O-C 3.6Å; A102-M107 WeakPolarHBondContact O-CA 3.39Å; A102-M107 PolarHBondContact O-N 3.45Å; Q103-M107 WeakPolarHBondContact CA-O 3.31Å; Q103-M107 PolarHBondContact N-O 3.27Å; Y105-M107 PolarHBondContact O-N 3.29Å; M107-W225 HydrophobicContact CE-CE3 4.04Å; M107-W225 HydrophobicContact CE-CZ3 3.66Å; M107-V228 HydrophobicContact CE-CG1 3.57Å; M107-V228 HydrophobicContact SD-CG1 3.87Å; M107-V234 HydrophobicContact CE-CG2 4.14Å; M107-V234 HydrophobicContact CG-CG2 4.41Å; M107-V234 HydrophobicContact SD-CG2 4.11Å
108	K	91.6	Very high	90.3	Very high	121 Å²	121	40.1 Å²	40.1	53%	0.526	22%	0.216	S	C	.	.			trans	-131	117.9	178.8	-71.7	-178.1	-179	177.3	0	110.5	G77 K78 N79 I80	G77-K108 WeakPolarHBondContact O-CD 3.23Å; K78-K108 WeakPolarHBondContact CA-O 3.35Å; K78-K108 HydrophobicContact CB-CB 4.43Å; K78-K108 HydrophobicContact CG-CB 4.07Å; N79-K108 PolarHBondContact N-O 3.18Å; N79-K108 PolarHBondContact OD1-N 3.11Å; N79-K108 PolarHBondContact OD1-O 3.26Å; I80-K108 PolarHBondContact N-O 3.21Å
109	G	92.4	Very high	90.2	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	158.2	-176.4	0	0	0	0	0	114.4	I80	I80-G109 CarbonylContact O-C 3.59Å; I80-G109 VanDerWaalsContact O-CA 3.28Å; I80-G109 WeakPolarHBondContact O-CA 3.42Å
110	M	93.1	Very high	90	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.054	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.2	159.8	55.5	180	-76.1	0	0	111.7	K72 M73 K78 I80 I81 V82 A112	K72-M110 HydrophobicContact CD-CE 4.17Å; M73-M110 HydrophobicContact CG-SD 4Å; K78-M110 HydrophobicContact CD-CB 3.75Å; K78-M110 HydrophobicContact CD-CG 3.78Å; K78-M110 HydrophobicContact CD-SD 3.81Å; I80-M110 PolarHBondContact O-N 2.97Å; I81-M110 CarbonylContact C-O 3.58Å; I81-M110 WeakPolarHBondContact CA-O 3.25Å; I81-M110 HydrophobicContact CG1-CG 4.27Å; V82-M110 PolarHBondContact N-O 3.45Å; M110-A112 HydrophobicContact CE-CB 4.5Å
111	A	93.6	Very high	90.3	Very high	25 Å²	25	40.3 Å²	40.3	21%	0.207	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.6	168.1	0	0	0	0	0	110.4	V82 Y84 A95 N96 A99	V82-A111 CarbonylContact O-C 3.57Å; V82-A111 VanDerWaalsContact O-CA 3.27Å; V82-A111 WeakPolarHBondContact O-CA 3.48Å; Y84-A111 HydrophobicContact CD1-CB 4.4Å; Y84-A111 HydrophobicContact CE1-CB 4.22Å; A95-A111 HydrophobicContact CB-CB 4.24Å; N96-A111 WeakPolarHBondContact OD1-CB 3.02Å; A99-A111 HydrophobicContact CB-CB 4.25Å
112	A	94.3	Very high	90.5	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.2	-175.6	0	0	0	0	0	111.7	I81 V82 F83 Y84 M110 Y117	I81-A112 HydrophobicContact CD1-CB 3.94Å; I81-A112 HydrophobicContact CG1-CB 4.07Å; V82-A112 PolarHBondContact O-N 2.84Å; F83-A112 WeakPolarHBondContact CA-O 3.47Å; F83-A112 HydrophobicContact CD1-CB 3.81Å; F83-A112 HydrophobicContact CE1-CB 3.82Å; Y84-A112 VanDerWaalsContact CD1-O 3.23Å; Y84-A112 WeakPolarHBondContact CD1-O 3.35Å; Y84-A112 VanDerWaalsContact CE1-O 3.29Å; Y84-A112 WeakPolarHBondContact CE1-O 3.32Å; Y84-A112 PolarHBondContact N-O 3.02Å; M110-A112 HydrophobicContact CE-CB 4.5Å; A112-Y117 HydrophobicContact CB-CD2 4.16Å; A112-Y117 HydrophobicContact CB-CE2 3.69Å
113	D	94.3	Very high	90.5	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	23%	0.233	C	C	.	.			trans	-80.1	121	167.6	-167.5	-25.2	0	0	0	108.3	Y84 E115 E116 Y117 N148	Y84-D113 HydrophobicContact CE2-CB 4.01Å; D113-E115 PolarHBondContact O-N 3.45Å; D113-E115 WeakPolarHBondContact OD1-CB 3.34Å; D113-E115 PolarHBondContact OD1-N 2.76Å; D113-E116 HydrophobicContact CB-CG 4.06Å; D113-E116 PolarHBondContact O-N 3.28Å; D113-E116 VanDerWaalsContact O-N 3.11Å; D113-Y117 VanDerWaalsContact O-CD2 3.31Å; D113-Y117 WeakPolarHBondContact O-CD2 3.23Å; D113-N148 WeakPolarHBondContact OD1-CB 3.45Å; D113-N148 PolarHBondContact OD1-ND2 2.85Å
114	P	94.6	Very high	90.9	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.9	178.1	24.4	-32.7	0	0	0	113.5	F83 Y84 E116 Y117 M119 A149 F152	F83-P114 HydrophobicContact CD1-CB 4.14Å; Y84-P114 WeakPolarHBondContact O-CD 3.46Å; P114-E116 PolarHBondContact O-N 3.28Å; P114-Y117 PolarHBondContact O-N 2.9Å; P114-M119 HydrophobicContact CB-CE 3.5Å; P114-M119 VanDerWaalsContact CB-CE 3.5Å; P114-M119 HydrophobicContact CB-SD 4.01Å; P114-A149 HydrophobicContact CG-CB 4.42Å; P114-F152 HydrophobicContact CB-CB 4.36Å
115	E	92.9	Very high	91.4	Very high	88 Å²	88	36.9 Å²	36.9	41%	0.411	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.3	-24	175.5	-163.4	-173.7	-160.7	0	0	112.4	D113 N148	D113-E115 PolarHBondContact O-N 3.45Å; D113-E115 WeakPolarHBondContact OD1-CB 3.34Å; D113-E115 PolarHBondContact OD1-N 2.76Å; E115-N148 HydrophobicContact CB-CB 4.28Å; E115-N148 WeakPolarHBondContact CB-O 3.33Å; E115-N148 PolarHBondContact N-O 2.93Å
116	E	89.6	Confident	91.7	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.402	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-84.1	-9.1	-177.4	-68.8	-173.4	173.7	0	0	113.8	D113 P114 N357	D113-E116 HydrophobicContact CB-CG 4.06Å; D113-E116 PolarHBondContact O-N 3.28Å; D113-E116 VanDerWaalsContact O-N 3.11Å; P114-E116 PolarHBondContact O-N 3.28Å; E116-N357 PolarHBondContact OE2-ND2 3.26Å
117	Y	90.9	Very high	92.1	Very high	20 Å²	20	39 Å²	39	8%	0.078	22%	0.217	C	C	.	.	S	Bend	trans	-132.2	156	-170	-61.8	-74.7	0	0	0	113.3	T67 F69 F83 A112 D113 P114 M119 N357	T67-Y117 WeakPolarHBondContact O-CD1 3.34Å; T67-Y117 WeakPolarHBondContact O-CE1 3.44Å; F69-Y117 HydrophobicContact CB-CD1 3.61Å; F69-Y117 HydrophobicContact CB-CE1 3.64Å; F69-Y117 HydrophobicContact CB-CG 4.11Å; F69-Y117 HydrophobicContact CD1-CD1 4.06Å; F69-Y117 HydrophobicContact CD1-CG 4.02Å; F69-Y117 HydrophobicContact CG-CD1 4.34Å; F69-Y117 HydrophobicContact CG-CG 4.49Å; F83-Y117 HydrophobicContact CE1-CD2 4.36Å; A112-Y117 HydrophobicContact CB-CD2 4.16Å; A112-Y117 HydrophobicContact CB-CE2 3.69Å; D113-Y117 VanDerWaalsContact O-CD2 3.31Å; D113-Y117 WeakPolarHBondContact O-CD2 3.23Å; P114-Y117 PolarHBondContact O-N 2.9Å; Y117-M119 PolarHBondContact O-N 2.93Å; Y117-N357 PolarHBondContact OH-ND2 3.2Å
118	S	90.6	Very high	92.3	Very high	82 Å²	82	39.7 Å²	39.7	57%	0.573	22%	0.221	S	C	*	.			trans	-81.7	112	168.9	-178.2	0	0	0	0	110	G120 E121	S118-G120 PolarHBondContact O-N 3.03Å; S118-E121 PolarHBondContact O-N 2.97Å; S118-E121 VanDerWaalsContact O-N 3.17Å
119	M	91.8	Very high	92.3	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.044	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-71.4	-11.3	-176.8	-60.1	-61.5	-100.4	0	0	113.5	F83 P114 Y117 E121 L122 F135 F152 W155	F83-M119 HydrophobicContact CD1-CE 3.98Å; F83-M119 HydrophobicContact CD1-SD 4.33Å; F83-M119 HydrophobicContact CD2-CE 4.3Å; F83-M119 HydrophobicContact CE1-CE 4.1Å; F83-M119 HydrophobicContact CE1-SD 3.9Å; F83-M119 HydrophobicContact CE2-CE 4.41Å; F83-M119 HydrophobicContact CG-CE 4.07Å; F83-M119 HydrophobicContact CZ-CE 4.31Å; F83-M119 HydrophobicContact CZ-SD 4.11Å; P114-M119 HydrophobicContact CB-CE 3.5Å; P114-M119 VanDerWaalsContact CB-CE 3.5Å; P114-M119 HydrophobicContact CB-SD 4.01Å; Y117-M119 PolarHBondContact O-N 2.93Å; M119-E121 PolarHBondContact O-N 3.32Å; M119-L122 HydrophobicContact CB-CD1 4.45Å; M119-L122 WeakPolarHBondContact O-CB 3.5Å; M119-L122 WeakPolarHBondContact O-CD1 3.41Å; M119-L122 WeakPolarHBondContact O-CG 3.29Å; M119-L122 PolarHBondContact O-N 3.48Å; M119-L122 VanDerWaalsContact O-N 3.13Å; M119-F135 HydrophobicContact CE-CE1 4.1Å; M119-F152 HydrophobicContact CB-CD2 3.69Å; M119-F152 HydrophobicContact CB-CE2 4.23Å; M119-F152 HydrophobicContact CE-CB 4.14Å; M119-F152 HydrophobicContact CE-CD1 3.94Å; M119-F152 HydrophobicContact CE-CD2 3.45Å; M119-F152 VanDerWaalsContact CE-CD2 3.45Å; M119-F152 HydrophobicContact CE-CE1 4.16Å; M119-F152 HydrophobicContact CE-CE2 3.71Å; M119-F152 HydrophobicContact CE-CG 3.56Å; M119-F152 HydrophobicContact CE-CZ 4.05Å; M119-F152 HydrophobicContact CG-CB 4.02Å; M119-F152 HydrophobicContact CG-CD2 3.57Å; M119-F152 HydrophobicContact CG-CE2 4.37Å; M119-F152 HydrophobicContact CG-CG 4.07Å; M119-F152 HydrophobicContact SD-CD2 4.36Å; M119-W155 HydrophobicContact CB-CD2 4.25Å; M119-W155 HydrophobicContact CB-CE3 4.22Å
120	G	88.3	Confident	92.2	Very high	25 Å²	25	44 Å²	44	26%	0.258	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.9	-19.7	168.4	0	0	0	0	0	113.8	S118 L122	S118-G120 PolarHBondContact O-N 3.03Å; G120-L122 PolarHBondContact O-N 3.36Å
121	E	91.1	Very high	92.3	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.168	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-73.6	-5.8	175.1	-63.7	-171	176.2	0	0	113.8	S68 F69 V70 S118 M119 A123 R124	S68-E121 WeakPolarHBondContact CA-OE1 3.2Å; S68-E121 WeakPolarHBondContact CA-OE2 3.49Å; S68-E121 WeakPolarHBondContact CB-OE1 3.45Å; S68-E121 WeakPolarHBondContact CB-OE2 3.32Å; S68-E121 PolarHBondContact OG-OE1 2.97Å; S68-E121 PolarHBondContact OG-OE2 2.83Å; F69-E121 HydrophobicContact CD1-CB 4.29Å; F69-E121 HydrophobicContact CE1-CB 3.56Å; F69-E121 HydrophobicContact CZ-CB 3.83Å; F69-E121 PolarHBondContact N-OE2 2.92Å; V70-E121 HydrophobicContact CG2-CB 4.18Å; S118-E121 PolarHBondContact O-N 2.97Å; S118-E121 VanDerWaalsContact O-N 3.17Å; M119-E121 PolarHBondContact O-N 3.32Å; E121-A123 PolarHBondContact O-N 3.46Å; E121-R124 WeakPolarHBondContact O-CA 3.39Å; E121-R124 VanDerWaalsContact O-CB 3.32Å; E121-R124 WeakPolarHBondContact O-CB 3.48Å; E121-R124 PolarHBondContact O-N 3.1Å; E121-R124 IonicContact OE1-NH1 3.88Å
122	L	92.8	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.5	177.7	-75.6	172.9	0	0	0	112.5	F69 F83 M119 G120 R124 L125 F135 F152 W155 L164 L167	F69-L122 HydrophobicContact CZ-CD2 4.17Å; F83-L122 HydrophobicContact CE2-CD2 3.93Å; F83-L122 HydrophobicContact CZ-CD2 4.5Å; M119-L122 HydrophobicContact CB-CD1 4.45Å; M119-L122 WeakPolarHBondContact O-CB 3.5Å; M119-L122 WeakPolarHBondContact O-CD1 3.41Å; M119-L122 WeakPolarHBondContact O-CG 3.29Å; M119-L122 PolarHBondContact O-N 3.48Å; M119-L122 VanDerWaalsContact O-N 3.13Å; G120-L122 PolarHBondContact O-N 3.36Å; L122-R124 PolarHBondContact O-N 3.36Å; L122-L125 HydrophobicContact CD2-CD1 3.73Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.49Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-F135 HydrophobicContact CD1-CZ 4.24Å; L122-F135 HydrophobicContact CD2-CZ 4.1Å; L122-F152 HydrophobicContact CD1-CE2 3.98Å; L122-W155 HydrophobicContact CD1-CH2 4.44Å; L122-W155 HydrophobicContact CD1-CZ3 4.16Å; L122-L164 HydrophobicContact CB-CD2 4.06Å; L122-L167 HydrophobicContact CB-CD2 4.34Å
123	A	90.3	Very high	92.7	Very high	32 Å²	32	42.3 Å²	42.3	26%	0.264	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.5	-31.7	175.4	0	0	0	0	0	112.5	E121 L125 L164	E121-A123 PolarHBondContact O-N 3.46Å; A123-L125 VanDerWaalsContact C-N 3.31Å; A123-L125 PolarHBondContact O-N 3.28Å; A123-L164 HydrophobicContact CB-CD2 3.95Å
124	R	93.7	Very high	92.9	Very high	76 Å²	76	41.3 Å²	41.3	29%	0.287	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-80.2	-8.5	-178.5	-60.8	178.6	59.7	-144.9	-10.3	113.2	S68 V70 E71 E121 L122 A126 E127	S68-R124 PolarHBondContact OG-NH1 2.82Å; V70-R124 HydrophobicContact CG1-CB 4.25Å; V70-R124 HydrophobicContact CG2-CB 4.08Å; E71-R124 IonicContact OE1-CZ 3.09Å; E71-R124 IonicContact OE1-NH2 2.65Å; E71-R124 PolarHBondContact OE1-NH2 3.38Å; E121-R124 WeakPolarHBondContact O-CA 3.39Å; E121-R124 VanDerWaalsContact O-CB 3.32Å; E121-R124 WeakPolarHBondContact O-CB 3.48Å; E121-R124 PolarHBondContact O-N 3.1Å; E121-R124 IonicContact OE1-NH1 3.88Å; L122-R124 PolarHBondContact O-N 3.36Å; R124-A126 PolarHBondContact O-N 2.97Å; R124-E127 HydrophobicContact CB-CG 4.44Å; R124-E127 VanDerWaalsContact CB-OE1 3.3Å; R124-E127 WeakPolarHBondContact CB-OE1 3.33Å; R124-E127 WeakPolarHBondContact CG-OE1 3.26Å; R124-E127 IonicContact CZ-OE1 2.78Å; R124-E127 IonicContact NE-OE1 2.72Å; R124-E127 PolarHBondContact NE-OE1 2.81Å; R124-E127 VanDerWaalsContact NE-OE1 3.09Å; R124-E127 IonicContact NE-OE2 2.68Å; R124-E127 IonicContact NH2-OE1 3.55Å; R124-E127 IonicContact NH2-OE2 2.78Å; R124-E127 WeakPolarHBondContact O-CB 3.46Å; R124-E127 WeakPolarHBondContact O-CG 3.41Å; R124-E127 PolarHBondContact O-N 3.31Å
125	L	93.3	Very high	93.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	174	-82.1	171.1	0	0	0	112.4	F69 V70 M73 I81 L122 A123 E127 I128 S131 A133 L167	F69-L125 HydrophobicContact CD2-CD2 4.42Å; F69-L125 HydrophobicContact CE2-CD1 4.02Å; F69-L125 HydrophobicContact CE2-CD2 3.79Å; F69-L125 HydrophobicContact CE2-CG 3.8Å; F69-L125 HydrophobicContact CZ-CG 4.44Å; V70-L125 HydrophobicContact CG2-CD2 4.31Å; V70-L125 HydrophobicContact CG2-CG 4.37Å; M73-L125 HydrophobicContact CE-CD2 4.02Å; M73-L125 HydrophobicContact SD-CD2 3.69Å; I81-L125 HydrophobicContact CG2-CD1 4.16Å; I81-L125 HydrophobicContact CG2-CD2 4.26Å; L122-L125 HydrophobicContact CD2-CD1 3.73Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.49Å; L122-L125 VanDerWaalsContact O-N 3.13Å; A123-L125 VanDerWaalsContact C-N 3.31Å; A123-L125 PolarHBondContact O-N 3.28Å; L125-E127 PolarHBondContact O-N 3Å; L125-E127 VanDerWaalsContact O-N 3.15Å; L125-I128 PolarHBondContact O-N 3.37Å; L125-S131 WeakPolarHBondContact O-CB 3.19Å; L125-S131 PolarHBondContact O-OG 2.65Å; L125-A133 HydrophobicContact CD1-CB 3.9Å; L125-L167 HydrophobicContact CB-CD1 3.86Å; L125-L167 HydrophobicContact CD1-CD1 3.53Å; L125-L167 HydrophobicContact CG-CD1 4.35Å
126	A	91.6	Very high	93.3	Very high	51 Å²	51	36.9 Å²	36.9	42%	0.421	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-63.2	-14.9	174	0	0	0	0	0	113.3	R124 I128	R124-A126 PolarHBondContact O-N 2.97Å; A126-I128 PolarHBondContact O-N 3.03Å
127	E	93.7	Very high	93.8	Very high	104 Å²	104	32.9 Å²	32.9	49%	0.486	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-70.6	-15.7	173.1	-59.4	172.8	-158.7	0	0	112.8	K74 R124 L125	K74-E127 WeakPolarHBondContact CE-OE2 3.43Å; K74-E127 IonicContact NZ-OE2 2.87Å; K74-E127 PolarHBondContact NZ-OE2 3.15Å; R124-E127 HydrophobicContact CB-CG 4.44Å; R124-E127 VanDerWaalsContact CB-OE1 3.3Å; R124-E127 WeakPolarHBondContact CB-OE1 3.33Å; R124-E127 WeakPolarHBondContact CG-OE1 3.26Å; R124-E127 IonicContact CZ-OE1 2.78Å; R124-E127 IonicContact NE-OE1 2.72Å; R124-E127 PolarHBondContact NE-OE1 2.81Å; R124-E127 VanDerWaalsContact NE-OE1 3.09Å; R124-E127 IonicContact NE-OE2 2.68Å; R124-E127 IonicContact NH2-OE1 3.55Å; R124-E127 IonicContact NH2-OE2 2.78Å; R124-E127 WeakPolarHBondContact O-CB 3.46Å; R124-E127 WeakPolarHBondContact O-CG 3.41Å; R124-E127 PolarHBondContact O-N 3.31Å; L125-E127 PolarHBondContact O-N 3Å; L125-E127 VanDerWaalsContact O-N 3.15Å
128	I	94.3	Very high	94.1	Very high	22 Å²	22	32.7 Å²	32.7	11%	0.113	19%	0.186	C	C	.	.	S	Bend	trans	-102.4	127.7	180	-58.7	175.3	0	0	0	108.8	V70 M73 K74 N79 L125 A126 S131	V70-I128 HydrophobicContact CG1-CD1 4.16Å; V70-I128 HydrophobicContact CG1-CG1 4.5Å; M73-I128 HydrophobicContact CB-CD1 3.56Å; M73-I128 HydrophobicContact CE-CD1 4.18Å; M73-I128 HydrophobicContact SD-CD1 4.34Å; K74-I128 HydrophobicContact CG-CD1 4.07Å; K74-I128 HydrophobicContact CG-CG1 3.92Å; N79-I128 HydrophobicContact CB-CG2 4.3Å; L125-I128 PolarHBondContact O-N 3.37Å; A126-I128 PolarHBondContact O-N 3.03Å; I128-S131 VanDerWaalsContact O-CB 3.26Å; I128-S131 WeakPolarHBondContact O-CB 3.39Å; I128-S131 PolarHBondContact O-N 2.94Å; I128-S131 PolarHBondContact O-OG 2.62Å
129	E	91	Very high	94.2	Very high	164 Å²	164	30.1 Å²	30.1	77%	0.766	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	138.9	177.7	-170.9	177.5	-177.6	0	0	111.3	S131	E129-S131 PolarHBondContact O-N 3.19Å
130	N	91.3	Very high	93.9	Very high	65 Å²	65	33.6 Å²	33.6	35%	0.348	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.4	-178.1	-59.8	-29.2	0	0	0	113.1	N79 F232	N79-N130 PolarHBondContact ND2-O 2.98Å; N130-F232 HydrophobicContact CB-CD1 3.63Å; N130-F232 HydrophobicContact CB-CE1 4.06Å; N130-F232 HydrophobicContact CB-CG 4.18Å; N130-F232 WeakPolarHBondContact OD1-CD1 3.34Å
131	S	95.7	Very high	93.5	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	19%	0.186	C	C	.	.			trans	-79	146.4	-179.9	67.9	0	0	0	0	112.7	N79 L125 I128 E129 N168	N79-S131 CarbonylContact O-C 3.6Å; N79-S131 WeakPolarHBondContact O-CA 3.47Å; L125-S131 WeakPolarHBondContact O-CB 3.19Å; L125-S131 PolarHBondContact O-OG 2.65Å; I128-S131 VanDerWaalsContact O-CB 3.26Å; I128-S131 WeakPolarHBondContact O-CB 3.39Å; I128-S131 PolarHBondContact O-N 2.94Å; I128-S131 PolarHBondContact O-OG 2.62Å; E129-S131 PolarHBondContact O-N 3.19Å; S131-N168 WeakPolarHBondContact O-CB 3.29Å; S131-N168 PolarHBondContact O-ND2 2.83Å
132	L	97.2	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	128.8	179	171	61.7	0	0	0	110.8	N79 I80 I81 I134 N168 I201 F224 V228 F232	N79-L132 PolarHBondContact O-N 3.02Å; I80-L132 WeakPolarHBondContact CA-O 3.48Å; I80-L132 HydrophobicContact CD1-CD2 4.44Å; I80-L132 HydrophobicContact CG1-CB 4.32Å; I81-L132 PolarHBondContact N-O 3.2Å; L132-I134 HydrophobicContact CD2-CD1 4.13Å; L132-I134 HydrophobicContact CD2-CG1 4.03Å; L132-I134 HydrophobicContact CG-CG1 3.95Å; L132-N168 HydrophobicContact CD1-CB 4.19Å; L132-N168 WeakPolarHBondContact CD1-O 3.4Å; L132-I201 HydrophobicContact CD1-CD1 3.27Å; L132-I201 HydrophobicContact CD1-CG1 3.6Å; L132-I201 HydrophobicContact CD2-CD1 3.45Å; L132-I201 VanDerWaalsContact CD2-CD1 3.45Å; L132-I201 HydrophobicContact CG-CD1 3.98Å; L132-F224 HydrophobicContact CD2-CE2 4.32Å; L132-F224 HydrophobicContact CD2-CZ 3.99Å; L132-V228 HydrophobicContact CD2-CG1 4.23Å; L132-V228 HydrophobicContact CD2-CG2 4.09Å; L132-F232 HydrophobicContact CB-CE2 4.19Å; L132-F232 HydrophobicContact CB-CZ 4.21Å; L132-F232 HydrophobicContact CD2-CE2 4.42Å
133	A	97.9	Very high	92.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.1	167.8	0	0	0	0	0	111.2	I81 L125 F135 L167 N168 Y169 T170	I81-A133 HydrophobicContact CG2-CB 4.17Å; I81-A133 WeakPolarHBondContact O-CA 3.32Å; L125-A133 HydrophobicContact CD1-CB 3.9Å; A133-F135 HydrophobicContact CB-CE2 3.78Å; A133-F135 HydrophobicContact CB-CZ 4.15Å; A133-L167 HydrophobicContact CB-CD1 4.01Å; A133-N168 PolarHBondContact N-O 3.4Å; A133-Y169 WeakPolarHBondContact O-CA 3.49Å; A133-Y169 WeakPolarHBondContact O-CB 3.33Å; A133-T170 PolarHBondContact O-N 3.14Å; A133-T170 VanDerWaalsContact O-N 3.13Å
134	I	98.4	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	175.9	-53.1	173.4	0	0	0	108.5	I80 I81 V82 F83 L98 L132 T170 W220 F224	I80-I134 HydrophobicContact CG2-CD1 3.87Å; I80-I134 HydrophobicContact CG2-CG1 4.41Å; I81-I134 PolarHBondContact O-N 3.3Å; V82-I134 CarbonylContact C-O 3.22Å; V82-I134 VanDerWaalsContact CA-O 3.29Å; V82-I134 WeakPolarHBondContact CA-O 3.22Å; V82-I134 HydrophobicContact CB-CB 4.33Å; V82-I134 HydrophobicContact CG1-CB 3.86Å; V82-I134 HydrophobicContact CG1-CG2 3.92Å; V82-I134 HydrophobicContact CG2-CB 4.14Å; V82-I134 HydrophobicContact CG2-CD1 4.03Å; V82-I134 HydrophobicContact CG2-CG1 4.47Å; F83-I134 PolarHBondContact N-O 3.26Å; L98-I134 HydrophobicContact CD1-CG2 3.83Å; L132-I134 HydrophobicContact CD2-CD1 4.13Å; L132-I134 HydrophobicContact CD2-CG1 4.03Å; L132-I134 HydrophobicContact CG-CG1 3.95Å; I134-T170 WeakPolarHBondContact CA-O 3.34Å; I134-T170 HydrophobicContact CB-CG2 4.44Å; I134-T170 HydrophobicContact CG1-CG2 4.11Å; I134-T170 HydrophobicContact CG2-CG2 4.03Å; I134-W220 HydrophobicContact CG2-CH2 4.4Å; I134-F224 HydrophobicContact CD1-CE1 3.85Å; I134-F224 HydrophobicContact CD1-CE2 4.42Å; I134-F224 HydrophobicContact CD1-CZ 3.41Å; I134-F224 VanDerWaalsContact CD1-CZ 3.41Å; I134-F224 HydrophobicContact CG1-CZ 4.14Å
135	F	98.6	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.2	179.4	-61	-93.9	0	0	0	110.9	F83 M119 L122 A133 M137 F152 T170 V171 F172 V189 L193	F83-F135 HydrophobicContact CB-CD1 3.83Å; F83-F135 HydrophobicContact CB-CE1 4.13Å; F83-F135 HydrophobicContact CD2-CD1 4.08Å; F83-F135 AromaticContact CD2-CE1 3.59Å; F83-F135 HydrophobicContact CD2-CE1 3.59Å; F83-F135 HydrophobicContact CD2-CZ 4.02Å; F83-F135 HydrophobicContact CE2-CE1 4.35Å; F83-F135 HydrophobicContact CE2-CZ 4.5Å; F83-F135 HydrophobicContact CG-CD1 4.33Å; F83-F135 HydrophobicContact CG-CE1 4.13Å; M119-F135 HydrophobicContact CE-CE1 4.1Å; L122-F135 HydrophobicContact CD1-CZ 4.24Å; L122-F135 HydrophobicContact CD2-CZ 4.1Å; A133-F135 HydrophobicContact CB-CE2 3.78Å; A133-F135 HydrophobicContact CB-CZ 4.15Å; F135-M137 HydrophobicContact CB-CG 3.83Å; F135-M137 HydrophobicContact CB-SD 4Å; F135-M137 HydrophobicContact CD1-SD 4.38Å; F135-F152 AromaticContact CD1-CE1 3.9Å; F135-F152 HydrophobicContact CD1-CE1 3.9Å; F135-F152 HydrophobicContact CD1-CZ 4.11Å; F135-F152 AromaticContact CE1-CE1 3.82Å; F135-F152 HydrophobicContact CE1-CE1 3.82Å; F135-F152 HydrophobicContact CE1-CE2 4.43Å; F135-F152 AromaticContact CE1-CZ 3.58Å; F135-F152 HydrophobicContact CE1-CZ 3.58Å; F135-F152 HydrophobicContact CZ-CZ 4.23Å; F135-T170 PolarHBondContact N-O 2.81Å; F135-V171 HydrophobicContact CB-CG1 4.3Å; F135-V171 HydrophobicContact CB-CG2 4.17Å; F135-V171 HydrophobicContact CD2-CG2 4.37Å; F135-V171 CarbonylContact O-C 3.42Å; F135-V171 WeakPolarHBondContact O-CA 3.43Å; F135-F172 PolarHBondContact O-N 3.3Å; F135-V189 HydrophobicContact CB-CG1 4.33Å; F135-V189 HydrophobicContact CD1-CG1 4.35Å; F135-V189 HydrophobicContact CD2-CG1 4.46Å; F135-V189 HydrophobicContact CG-CG1 4.14Å; F135-L193 HydrophobicContact CD2-CD1 3.83Å; F135-L193 HydrophobicContact CE2-CD1 3.46Å; F135-L193 VanDerWaalsContact CE2-CD1 3.46Å; F135-L193 HydrophobicContact CZ-CD1 3.99Å
136	C	98.5	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	98.7	169	-67	0	0	0	0	108.8	F83 Y84 G85 A91 A95 F172 L174	F83-C136 PolarHBondContact O-N 2.96Å; Y84-C136 CarbonylContact C-O 3.53Å; Y84-C136 WeakPolarHBondContact CA-O 3.32Å; G85-C136 PolarHBondContact N-O 3.01Å; A91-C136 HydrophobicContact CB-CB 4.15Å; A91-C136 WeakPolarHBondContact CB-O 3.29Å; A95-C136 HydrophobicContact CB-CB 4.41Å; C136-F172 CarbonylContact C-O 3.57Å; C136-F172 WeakPolarHBondContact CA-O 3.15Å; C136-L174 HydrophobicContact CB-CD1 4.33Å
137	M	98.3	Very high	92.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	109.8	-168.7	-56.1	-52.1	-71.7	0	0	111.4	F135 A149 F152 V171 F172 A173 L174 M185 V189	F135-M137 HydrophobicContact CB-CG 3.83Å; F135-M137 HydrophobicContact CB-SD 4Å; F135-M137 HydrophobicContact CD1-SD 4.38Å; M137-A149 HydrophobicContact CE-CB 3.76Å; M137-F152 HydrophobicContact CE-CD1 4.07Å; M137-F152 HydrophobicContact CE-CE1 4.27Å; M137-V171 HydrophobicContact CG-CG1 4.34Å; M137-F172 PolarHBondContact N-O 2.8Å; M137-A173 WeakPolarHBondContact O-CA 3.48Å; M137-L174 PolarHBondContact O-N 3.32Å; M137-M185 HydrophobicContact CB-CG 4.26Å; M137-M185 HydrophobicContact CE-CE 3.68Å; M137-M185 HydrophobicContact CE-CG 4.19Å; M137-V189 HydrophobicContact CE-CG2 4.27Å; M137-V189 HydrophobicContact CG-CG2 4.24Å
138	A	97.1	Very high	92.1	Very high	17 Å²	17	34.7 Å²	34.7	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	145.1	168.6	0	0	0	0	0	111.4	G85 A91 T146 L174	G85-A138 VanDerWaalsContact O-CB 3.31Å; G85-A138 WeakPolarHBondContact O-CB 3.49Å; G85-A138 PolarHBondContact O-N 3.4Å; A91-A138 HydrophobicContact CB-CB 4.47Å; A138-T146 HydrophobicContact CB-CG2 3.88Å; A138-L174 WeakPolarHBondContact CA-O 3.44Å; A138-L174 HydrophobicContact CB-CB 4.09Å
139	T	92.9	Very high	92.2	Very high	27 Å²	27	33.6 Å²	33.6	17%	0.166	18%	0.183	C	C	.	.			trans	-97.4	138.5	170.1	-59.5	0	0	0	0	109.8	L174 A184 M185	T139-L174 PolarHBondContact N-O 2.91Å; T139-A184 HydrophobicContact CG2-CB 4.05Å; T139-A184 PolarHBondContact OG1-N 2.93Å; T139-A184 VanDerWaalsContact OG1-N 3.15Å; T139-M185 PolarHBondContact OG1-N 2.85Å
140	Y	86.4	Confident	92.3	Very high	82 Å²	82	29 Å²	29	32%	0.322	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-127.6	175.2	176	-147.5	-106.5	0	0	0	111.6	Q87 E142 G143 D144 R512	Q87-Y140 HydrophobicContact CB-CD2 4.02Å; Q87-Y140 HydrophobicContact CB-CE2 4.14Å; Q87-Y140 HydrophobicContact CG-CD2 4.06Å; Q87-Y140 HydrophobicContact CG-CE1 4.35Å; Q87-Y140 HydrophobicContact CG-CE2 3.88Å; Q87-Y140 HydrophobicContact CG-CG 4.37Å; Y140-E142 PolarHBondContact O-N 3.01Å; Y140-G143 CarbonylContact O-C 3.56Å; Y140-G143 PolarHBondContact O-N 2.95Å; Y140-G143 VanDerWaalsContact O-N 3.14Å; Y140-D144 PolarHBondContact N-O 3.09Å; Y140-D144 PolarHBondContact O-N 3.07Å; Y140-R512 VanDerWaalsContact CE1-NH1 3.27Å; Y140-R512 PolarHBondContact OH-NH1 2.82Å
141	G	79.1	Confident	92.3	Very high	39 Å²	39	31 Å²	31	40%	0.402	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-130.7	175.6	0	0	0	0	0	113.5	G143	G141-G143 VanDerWaalsContact C-N 3.34Å; G141-G143 PolarHBondContact O-N 2.84Å
142	E	77.8	Confident	92.3	Very high	88 Å²	88	31 Å²	31	41%	0.411	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	44.4	178.7	-66.5	-63.6	154.4	0	0	111.1	Y140 D144 H181	Y140-E142 PolarHBondContact O-N 3.01Å; E142-D144 PolarHBondContact N-OD2 3.48Å; E142-D144 VanDerWaalsContact N-OD2 3.16Å; E142-H181 VanDerWaalsContact C-CD2 3.44Å; E142-H181 PolarHBondContact O-CD2 2.84Å
143	G	84.1	Confident	92.2	Very high	16 Å²	16	33.5 Å²	33.5	17%	0.165	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	10.8	-175.2	0	0	0	0	0	114.4	Y140 G141 H181	Y140-G143 CarbonylContact O-C 3.56Å; Y140-G143 PolarHBondContact O-N 2.95Å; Y140-G143 VanDerWaalsContact O-N 3.14Å; G141-G143 VanDerWaalsContact C-N 3.34Å; G141-G143 PolarHBondContact O-N 2.84Å; G143-H181 VanDerWaalsContact CA-CB 3.44Å
144	D	86.9	Confident	92	Very high	83 Å²	83	36 Å²	36	44%	0.444	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-74.7	157.3	-179	-56.9	-55.7	0	0	0	111.8	Y140 E142	Y140-D144 PolarHBondContact N-O 3.09Å; Y140-D144 PolarHBondContact O-N 3.07Å; E142-D144 PolarHBondContact N-OD2 3.48Å; E142-D144 VanDerWaalsContact N-OD2 3.16Å
145	P	93.4	Very high	91.8	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.039	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-63.6	165.7	167.1	30.6	-37.6	0	0	0	111.6	A149 Q150 Y153 M185	P145-A149 HydrophobicContact CB-CB 4.33Å; P145-Q150 VanDerWaalsContact CG-OE1 3.3Å; P145-Y153 HydrophobicContact CB-CG 4.34Å; P145-Y153 HydrophobicContact CG-CD1 4.01Å; P145-Y153 HydrophobicContact CG-CG 3.88Å; P145-M185 HydrophobicContact CB-CE 4.04Å; P145-M185 HydrophobicContact CB-CG 4.18Å; P145-M185 HydrophobicContact CB-SD 3.81Å
146	T	92.8	Very high	91.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-70.8	157.1	164.7	56.3	0	0	0	0	110.7	G85 S86 Q87 A138 N148 A149 Q150	G85-T146 WeakPolarHBondContact CA-OG1 3.36Å; S86-T146 PolarHBondContact N-OG1 3.24Å; S86-T146 VanDerWaalsContact N-OG1 3.12Å; Q87-T146 HydrophobicContact CB-CG2 4.14Å; A138-T146 HydrophobicContact CB-CG2 3.88Å; T146-N148 VanDerWaalsContact C-N 3.26Å; T146-N148 PolarHBondContact O-N 2.87Å; T146-N148 PolarHBondContact OG1-OD1 3.27Å; T146-A149 CarbonylContact O-C 3.48Å; T146-A149 WeakPolarHBondContact O-CA 3.4Å; T146-A149 PolarHBondContact O-N 3.07Å; T146-A149 WeakPolarHBondContact OG1-CB 3.26Å; T146-Q150 PolarHBondContact O-N 3.38Å
147	D	89.1	Confident	91.2	Very high	99 Å²	99	42.1 Å²	42.1	53%	0.529	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-53.4	-44.5	-176.3	-65.9	-22.1	0	0	0	111.9	Q87 A149 Q150	Q87-D147 PolarHBondContact NE2-OD2 3.41Å; Q87-D147 VanDerWaalsContact OE1-N 3.16Å; D147-A149 PolarHBondContact O-N 2.88Å; D147-Q150 WeakPolarHBondContact O-CB 3.37Å; D147-Q150 PolarHBondContact O-N 3.27Å
148	N	93.1	Very high	90.9	Very high	16 Å²	16	49.5 Å²	49.5	9%	0.086	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-72.4	-8.3	-179.5	81.9	-50.4	0	0	0	114.2	Y84 S86 D113 E115 T146	Y84-N148 PolarHBondContact O-ND2 3.18Å; S86-N148 PolarHBondContact N-OD1 3.16Å; S86-N148 PolarHBondContact O-OD1 3.1Å; D113-N148 WeakPolarHBondContact OD1-CB 3.45Å; D113-N148 PolarHBondContact OD1-ND2 2.85Å; E115-N148 HydrophobicContact CB-CB 4.28Å; E115-N148 WeakPolarHBondContact CB-O 3.33Å; E115-N148 PolarHBondContact N-O 2.93Å; T146-N148 VanDerWaalsContact C-N 3.26Å; T146-N148 PolarHBondContact O-N 2.87Å; T146-N148 PolarHBondContact OG1-OD1 3.27Å
149	A	96.1	Very high	90.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-111.3	3.7	177.7	0	0	0	0	0	112.8	P114 M137 P145 T146 D147 F152 Y153	P114-A149 HydrophobicContact CG-CB 4.42Å; M137-A149 HydrophobicContact CE-CB 3.76Å; P145-A149 HydrophobicContact CB-CB 4.33Å; T146-A149 CarbonylContact O-C 3.48Å; T146-A149 WeakPolarHBondContact O-CA 3.4Å; T146-A149 PolarHBondContact O-N 3.07Å; T146-A149 WeakPolarHBondContact OG1-CB 3.26Å; D147-A149 PolarHBondContact O-N 2.88Å; A149-F152 PolarHBondContact O-N 3Å; A149-Y153 PolarHBondContact O-N 2.94Å
150	Q	92.8	Very high	89.6	Confident	66 Å²	66	55.1 Å²	55.1	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-50.3	-178.1	-174.7	64.7	60.5	0	0	111.6	P145 T146 D147 F152 Y153 D154	P145-Q150 VanDerWaalsContact CG-OE1 3.3Å; T146-Q150 PolarHBondContact O-N 3.38Å; D147-Q150 WeakPolarHBondContact O-CB 3.37Å; D147-Q150 PolarHBondContact O-N 3.27Å; Q150-F152 PolarHBondContact O-N 3.49Å; Q150-Y153 WeakPolarHBondContact O-CB 3.45Å; Q150-Y153 PolarHBondContact O-N 3.2Å; Q150-D154 PolarHBondContact NE2-OD1 2.94Å; Q150-D154 PolarHBondContact O-N 3.44Å
151	D	92.8	Very high	89.2	Confident	108 Å²	108	59.1 Å²	59.1	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-61	-35.1	-179.9	-69.1	-3.4	0	0	0	111.9	W155	D151-W155 VanDerWaalsContact O-CB 3.32Å; D151-W155 WeakPolarHBondContact O-CB 3.35Å; D151-W155 PolarHBondContact O-N 2.83Å
152	F	95.6	Very high	89.5	Confident	3 Å²	3	60.6 Å²	60.6	1%	0.013	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-41.2	174.5	174.7	-132	0	0	0	112.2	P114 M119 L122 F135 M137 A149 Q150 W155 L156 M185 V189	P114-F152 HydrophobicContact CB-CB 4.36Å; M119-F152 HydrophobicContact CB-CD2 3.69Å; M119-F152 HydrophobicContact CB-CE2 4.23Å; M119-F152 HydrophobicContact CE-CB 4.14Å; M119-F152 HydrophobicContact CE-CD1 3.94Å; M119-F152 HydrophobicContact CE-CD2 3.45Å; M119-F152 VanDerWaalsContact CE-CD2 3.45Å; M119-F152 HydrophobicContact CE-CE1 4.16Å; M119-F152 HydrophobicContact CE-CE2 3.71Å; M119-F152 HydrophobicContact CE-CG 3.56Å; M119-F152 HydrophobicContact CE-CZ 4.05Å; M119-F152 HydrophobicContact CG-CB 4.02Å; M119-F152 HydrophobicContact CG-CD2 3.57Å; M119-F152 HydrophobicContact CG-CE2 4.37Å; M119-F152 HydrophobicContact CG-CG 4.07Å; M119-F152 HydrophobicContact SD-CD2 4.36Å; L122-F152 HydrophobicContact CD1-CE2 3.98Å; F135-F152 AromaticContact CD1-CE1 3.9Å; F135-F152 HydrophobicContact CD1-CE1 3.9Å; F135-F152 HydrophobicContact CD1-CZ 4.11Å; F135-F152 AromaticContact CE1-CE1 3.82Å; F135-F152 HydrophobicContact CE1-CE1 3.82Å; F135-F152 HydrophobicContact CE1-CE2 4.43Å; F135-F152 AromaticContact CE1-CZ 3.58Å; F135-F152 HydrophobicContact CE1-CZ 3.58Å; F135-F152 HydrophobicContact CZ-CZ 4.23Å; M137-F152 HydrophobicContact CE-CD1 4.07Å; M137-F152 HydrophobicContact CE-CE1 4.27Å; A149-F152 PolarHBondContact O-N 3Å; Q150-F152 PolarHBondContact O-N 3.49Å; F152-W155 HydrophobicContact CD2-CE3 4.07Å; F152-W155 AromaticContact CE2-CE3 4Å; F152-W155 HydrophobicContact CE2-CE3 4Å; F152-W155 HydrophobicContact CE2-CZ3 4.16Å; F152-W155 PolarHBondContact O-N 2.79Å; F152-L156 HydrophobicContact CD1-CD1 4.34Å; F152-L156 HydrophobicContact CD2-CD1 4.31Å; F152-L156 HydrophobicContact CD2-CG 4.14Å; F152-L156 HydrophobicContact CE1-CD1 3.85Å; F152-L156 HydrophobicContact CE2-CD1 3.82Å; F152-L156 HydrophobicContact CE2-CD2 3.98Å; F152-L156 HydrophobicContact CE2-CG 3.72Å; F152-L156 HydrophobicContact CZ-CD1 3.57Å; F152-L156 HydrophobicContact CZ-CD2 4.23Å; F152-L156 HydrophobicContact CZ-CG 4.01Å; F152-L156 WeakPolarHBondContact O-CG 3.03Å; F152-L156 PolarHBondContact O-N 3.08Å; F152-M185 HydrophobicContact CD1-CE 4.44Å; F152-V189 HydrophobicContact CE1-CG1 4.07Å; F152-V189 HydrophobicContact CE1-CG2 3.87Å; F152-V189 HydrophobicContact CZ-CG1 4.24Å
153	Y	95	Very high	90	Very high	53 Å²	53	61.2 Å²	61.2	21%	0.208	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-46.4	175.3	177	-103.2	0	0	0	111.6	P145 A149 Q150 W155 L156 Q157 M185 Y188	P145-Y153 HydrophobicContact CB-CG 4.34Å; P145-Y153 HydrophobicContact CG-CD1 4.01Å; P145-Y153 HydrophobicContact CG-CG 3.88Å; A149-Y153 PolarHBondContact O-N 2.94Å; Q150-Y153 WeakPolarHBondContact O-CB 3.45Å; Q150-Y153 PolarHBondContact O-N 3.2Å; Y153-W155 VanDerWaalsContact C-N 3.34Å; Y153-W155 PolarHBondContact O-N 3.36Å; Y153-L156 WeakPolarHBondContact O-CB 3.17Å; Y153-L156 PolarHBondContact O-N 3.12Å; Y153-Q157 HydrophobicContact CE1-CG 4.38Å; Y153-Q157 WeakPolarHBondContact O-CG 3.43Å; Y153-Q157 PolarHBondContact O-N 3.32Å; Y153-Q157 VanDerWaalsContact O-N 3.13Å; Y153-Q157 PolarHBondContact OH-NE2 2.93Å; Y153-M185 HydrophobicContact CD2-CE 3.84Å; Y153-M185 HydrophobicContact CD2-SD 3.53Å; Y153-M185 VanDerWaalsContact CD2-SD 3.53Å; Y153-M185 HydrophobicContact CE2-SD 4.18Å; Y153-M185 HydrophobicContact CG-CE 4.29Å; Y153-M185 HydrophobicContact CG-SD 4.32Å; Y153-Y188 AromaticContact CD2-CD1 3.59Å; Y153-Y188 HydrophobicContact CD2-CD1 3.59Å; Y153-Y188 AromaticContact CD2-CE1 3.51Å; Y153-Y188 HydrophobicContact CD2-CE1 3.51Å; Y153-Y188 AromaticContact CE2-CD1 3.48Å; Y153-Y188 HydrophobicContact CE2-CD1 3.48Å; Y153-Y188 VanDerWaalsContact CE2-CD1 3.48Å; Y153-Y188 HydrophobicContact CE2-CD2 4.48Å; Y153-Y188 AromaticContact CE2-CE1 3.48Å; Y153-Y188 HydrophobicContact CE2-CE1 3.48Å; Y153-Y188 VanDerWaalsContact CE2-CE1 3.48Å; Y153-Y188 HydrophobicContact CE2-CE2 4.49Å; Y153-Y188 HydrophobicContact CE2-CG 4.01Å
154	D	93.1	Very high	90.5	Very high	53 Å²	53	60.5 Å²	60.5	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-43.2	177.6	-64.2	-11.3	0	0	0	110.5	Q150 L156 Q157 E158	Q150-D154 PolarHBondContact NE2-OD1 2.94Å; Q150-D154 PolarHBondContact O-N 3.44Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.99Å; D154-Q157 WeakPolarHBondContact O-CB 3.29Å; D154-Q157 PolarHBondContact O-N 3.13Å; D154-Q157 VanDerWaalsContact O-N 3.07Å; D154-E158 WeakPolarHBondContact O-CG 3.2Å; D154-E158 PolarHBondContact O-N 3.42Å
155	W	94.2	Very high	90.7	Very high	37 Å²	37	60 Å²	60	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-44	174.8	178.7	82.7	0	0	0	112.4	M119 L122 D151 F152 Y153 Q157 E158 N159 E162 L164	M119-W155 HydrophobicContact CB-CD2 4.25Å; M119-W155 HydrophobicContact CB-CE3 4.22Å; L122-W155 HydrophobicContact CD1-CH2 4.44Å; L122-W155 HydrophobicContact CD1-CZ3 4.16Å; D151-W155 VanDerWaalsContact O-CB 3.32Å; D151-W155 WeakPolarHBondContact O-CB 3.35Å; D151-W155 PolarHBondContact O-N 2.83Å; F152-W155 HydrophobicContact CD2-CE3 4.07Å; F152-W155 AromaticContact CE2-CE3 4Å; F152-W155 HydrophobicContact CE2-CE3 4Å; F152-W155 HydrophobicContact CE2-CZ3 4.16Å; F152-W155 PolarHBondContact O-N 2.79Å; Y153-W155 VanDerWaalsContact C-N 3.34Å; Y153-W155 PolarHBondContact O-N 3.36Å; W155-Q157 VanDerWaalsContact C-N 3.26Å; W155-Q157 PolarHBondContact O-N 3.5Å; W155-E158 PolarHBondContact O-N 2.8Å; W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.28Å; W155-N159 PolarHBondContact O-N 2.65Å; W155-N159 PolarHBondContact O-ND2 3.42Å; W155-E162 HydrophobicContact CH2-CG 4.28Å; W155-E162 HydrophobicContact CZ2-CG 3.98Å; W155-L164 HydrophobicContact CH2-CD1 4.44Å; W155-L164 HydrophobicContact CH2-CD2 4.47Å
156	L	93.8	Very high	90.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-32.3	176.4	-77.3	173.9	0	0	0	112.6	F152 Y153 D154 Y188 V189 R192 L193 L196	F152-L156 HydrophobicContact CD1-CD1 4.34Å; F152-L156 HydrophobicContact CD2-CD1 4.31Å; F152-L156 HydrophobicContact CD2-CG 4.14Å; F152-L156 HydrophobicContact CE1-CD1 3.85Å; F152-L156 HydrophobicContact CE2-CD1 3.82Å; F152-L156 HydrophobicContact CE2-CD2 3.98Å; F152-L156 HydrophobicContact CE2-CG 3.72Å; F152-L156 HydrophobicContact CZ-CD1 3.57Å; F152-L156 HydrophobicContact CZ-CD2 4.23Å; F152-L156 HydrophobicContact CZ-CG 4.01Å; F152-L156 WeakPolarHBondContact O-CG 3.03Å; F152-L156 PolarHBondContact O-N 3.08Å; Y153-L156 WeakPolarHBondContact O-CB 3.17Å; Y153-L156 PolarHBondContact O-N 3.12Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.99Å; L156-Y188 HydrophobicContact CB-CE1 3.94Å; L156-Y188 HydrophobicContact CD1-CD1 4.43Å; L156-Y188 HydrophobicContact CD1-CE1 4.06Å; L156-V189 HydrophobicContact CD1-CG2 3.92Å; L156-R192 HydrophobicContact CB-CG 4.05Å; L156-R192 HydrophobicContact CD2-CB 4.46Å; L156-R192 HydrophobicContact CD2-CG 3.82Å; L156-R192 HydrophobicContact CG-CG 4.37Å; L156-R192 VanDerWaalsContact O-CZ 3.31Å; L156-R192 PolarHBondContact O-NE 3.44Å; L156-R192 PolarHBondContact O-NH2 3.32Å; L156-L193 HydrophobicContact CD2-CD2 4.28Å; L156-L196 HydrophobicContact CD2-CD1 4.04Å
157	Q	90.9	Very high	90.6	Very high	91 Å²	91	62.1 Å²	62.1	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-74.5	-41.2	177.2	-71.5	-170.8	-14.9	0	0	112.9	Y153 D154 W155 Y188	Y153-Q157 HydrophobicContact CE1-CG 4.38Å; Y153-Q157 WeakPolarHBondContact O-CG 3.43Å; Y153-Q157 PolarHBondContact O-N 3.32Å; Y153-Q157 VanDerWaalsContact O-N 3.13Å; Y153-Q157 PolarHBondContact OH-NE2 2.93Å; D154-Q157 WeakPolarHBondContact O-CB 3.29Å; D154-Q157 PolarHBondContact O-N 3.13Å; D154-Q157 VanDerWaalsContact O-N 3.07Å; W155-Q157 VanDerWaalsContact C-N 3.26Å; W155-Q157 PolarHBondContact O-N 3.5Å; Q157-Y188 VanDerWaalsContact CG-OH 3.23Å; Q157-Y188 WeakPolarHBondContact CG-OH 3.31Å
158	E	91.7	Very high	91	Very high	156 Å²	156	58.5 Å²	58.5	73%	0.729	31%	0.311	S	S	*	.	H	α-helix	trans	-83.1	-21.8	-170.6	-68.3	-179.2	169.2	0	0	113.7	D154 W155	D154-E158 WeakPolarHBondContact O-CG 3.2Å; D154-E158 PolarHBondContact O-N 3.42Å; W155-E158 PolarHBondContact O-N 2.8Å
159	N	85.4	Confident	91.3	Very high	50 Å²	50	57.8 Å²	57.8	27%	0.267	31%	0.307	S	S	.	.			trans	-109.1	64.2	-170	-62.9	-87.6	0	0	0	112.5	W155 D161 E162 L196	W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.28Å; W155-N159 PolarHBondContact O-N 2.65Å; W155-N159 PolarHBondContact O-ND2 3.42Å; N159-D161 VanDerWaalsContact C-N 3.25Å; N159-D161 PolarHBondContact O-N 2.83Å; N159-E162 HydrophobicContact CB-CB 4.28Å; N159-E162 PolarHBondContact O-N 3.07Å; N159-L196 WeakPolarHBondContact O-CD2 3.16Å
160	D	76.6	Confident	91.4	Very high	111 Å²	111	57.8 Å²	57.8	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.5	176.2	-81.3	-39.6	0	0	0	114.3	R192	D160-R192 VanDerWaalsContact CA-NH2 3.31Å; D160-R192 IonicContact OD1-CZ 3.46Å; D160-R192 IonicContact OD1-NH1 3.53Å; D160-R192 PolarHBondContact OD1-NH1 3.46Å; D160-R192 IonicContact OD1-NH2 2.71Å; D160-R192 PolarHBondContact OD1-NH2 3.37Å
161	D	79.8	Confident	91.7	Very high	167 Å²	167	54.6 Å²	54.6	89%	0.893	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.6	-174.1	-65.1	-38.3	0	0	0	113.6	N159	N159-D161 VanDerWaalsContact C-N 3.25Å; N159-D161 PolarHBondContact O-N 2.83Å
162	E	84.3	Confident	91.9	Very high	69 Å²	69	49.5 Å²	49.5	32%	0.322	27%	0.265	S	S	.	.			trans	-69.5	138.6	-179.1	-164.8	65.9	-153.9	0	0	110.9	W155 N159 L164 L196	W155-E162 HydrophobicContact CH2-CG 4.28Å; W155-E162 HydrophobicContact CZ2-CG 3.98Å; N159-E162 HydrophobicContact CB-CB 4.28Å; N159-E162 PolarHBondContact O-N 3.07Å; E162-L164 HydrophobicContact CG-CD2 4.18Å; E162-L196 HydrophobicContact CB-CD2 4.43Å; E162-L196 WeakPolarHBondContact O-CD2 3.49Å
163	N	89.6	Confident	92.1	Very high	102 Å²	102	49.4 Å²	49.4	55%	0.545	26%	0.264	S	S	.	.			trans	-109.6	106.1	-179.8	-173.5	-0.9	0	0	0	111.1	S165	N163-S165 VanDerWaalsContact C-N 3.31Å; N163-S165 WeakPolarHBondContact OD1-CB 3.41Å; N163-S165 PolarHBondContact OD1-N 3.13Å; N163-S165 PolarHBondContact OD1-OG 3.43Å
164	L	93.2	Very high	92.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.256	C	S	.	.			trans	-95.1	22.4	176.6	-57.4	-177.3	0	0	0	112.6	L122 A123 W155 E162 G166 L167 L193 L196 A198	L122-L164 HydrophobicContact CB-CD2 4.06Å; A123-L164 HydrophobicContact CB-CD2 3.95Å; W155-L164 HydrophobicContact CH2-CD1 4.44Å; W155-L164 HydrophobicContact CH2-CD2 4.47Å; E162-L164 HydrophobicContact CG-CD2 4.18Å; L164-G166 PolarHBondContact O-N 3.16Å; L164-L167 HydrophobicContact CB-CB 4.28Å; L164-L167 HydrophobicContact CB-CD2 4.25Å; L164-L167 HydrophobicContact CD1-CD2 4.09Å; L164-L167 VanDerWaalsContact O-CB 3.22Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 PolarHBondContact O-N 2.82Å; L164-L193 HydrophobicContact CD1-CD2 3.63Å; L164-L196 HydrophobicContact CB-CB 4.35Å; L164-L196 HydrophobicContact CD1-CB 3.88Å; L164-L196 HydrophobicContact CD1-CD1 3.92Å; L164-L196 HydrophobicContact CG-CB 4Å; L164-L196 PolarHBondContact N-O 3.39Å; L164-A198 HydrophobicContact CB-CB 4.04Å
165	S	91.6	Very high	92.3	Very high	73 Å²	73	45.2 Å²	45.2	51%	0.51	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	124.7	174.7	-71.1	0	0	0	0	111.3	N163	N163-S165 VanDerWaalsContact C-N 3.31Å; N163-S165 WeakPolarHBondContact OD1-CB 3.41Å; N163-S165 PolarHBondContact OD1-N 3.13Å; N163-S165 PolarHBondContact OD1-OG 3.43Å
166	G	89.5	Confident	92.1	Very high	47 Å²	47	44.3 Å²	44.3	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-9.7	-178.4	0	0	0	0	0	114.4	L164 N168	L164-G166 PolarHBondContact O-N 3.16Å; G166-N168 PolarHBondContact O-N 3.02Å
167	L	95.4	Very high	91.8	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.			trans	-71.5	121.7	168.3	177.6	63.9	0	0	0	109.9	L122 L125 A133 L164 L193 A198 K199	L122-L167 HydrophobicContact CB-CD2 4.34Å; L125-L167 HydrophobicContact CB-CD1 3.86Å; L125-L167 HydrophobicContact CD1-CD1 3.53Å; L125-L167 HydrophobicContact CG-CD1 4.35Å; A133-L167 HydrophobicContact CB-CD1 4.01Å; L164-L167 HydrophobicContact CB-CB 4.28Å; L164-L167 HydrophobicContact CB-CD2 4.25Å; L164-L167 HydrophobicContact CD1-CD2 4.09Å; L164-L167 VanDerWaalsContact O-CB 3.22Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 PolarHBondContact O-N 2.82Å; L167-L193 HydrophobicContact CD2-CD2 4.49Å; L167-A198 HydrophobicContact CB-CB 3.92Å; L167-A198 HydrophobicContact CD2-CB 3.94Å; L167-A198 HydrophobicContact CG-CB 4.08Å; L167-A198 CarbonylContact O-C 3.59Å; L167-A198 WeakPolarHBondContact O-CA 3.22Å; L167-K199 PolarHBondContact O-N 2.64Å
168	N	97.4	Very high	91.4	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.8	166	-63.7	-51.3	0	0	0	109.2	S131 L132 A133 G166 K199 I201 F232	S131-N168 WeakPolarHBondContact O-CB 3.29Å; S131-N168 PolarHBondContact O-ND2 2.83Å; L132-N168 HydrophobicContact CD1-CB 4.19Å; L132-N168 WeakPolarHBondContact CD1-O 3.4Å; A133-N168 PolarHBondContact N-O 3.4Å; G166-N168 PolarHBondContact O-N 3.02Å; N168-K199 WeakPolarHBondContact CA-O 3.45Å; N168-I201 HydrophobicContact CB-CG2 3.66Å; N168-F232 HydrophobicContact CB-CZ 4.33Å
169	Y	98.3	Very high	90.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	163	178.9	83.1	-80.6	0	0	0	114.7	A133 V171 D190 L193 A198 K199 R200 I201	A133-Y169 WeakPolarHBondContact O-CA 3.49Å; A133-Y169 WeakPolarHBondContact O-CB 3.33Å; Y169-V171 HydrophobicContact CD2-CG2 3.93Å; Y169-V171 HydrophobicContact CE2-CG2 3.95Å; Y169-D190 PolarHBondContact OH-O 3.17Å; Y169-L193 HydrophobicContact CD1-CB 4.12Å; Y169-L193 HydrophobicContact CD2-CB 4.18Å; Y169-L193 HydrophobicContact CD2-CD1 3.56Å; Y169-L193 HydrophobicContact CE1-CB 3.83Å; Y169-L193 HydrophobicContact CE2-CB 3.95Å; Y169-L193 HydrophobicContact CE2-CD1 3.98Å; Y169-L193 HydrophobicContact CG-CB 4.28Å; Y169-L193 HydrophobicContact CG-CD1 3.91Å; Y169-A198 HydrophobicContact CD1-CB 3.49Å; Y169-A198 VanDerWaalsContact CD1-CB 3.49Å; Y169-A198 HydrophobicContact CE1-CB 3.72Å; Y169-K199 WeakPolarHBondContact CD1-O 3.37Å; Y169-K199 PolarHBondContact N-O 3.15Å; Y169-R200 HydrophobicContact CE1-CB 4.1Å; Y169-R200 CarbonylContact O-C 3.58Å; Y169-R200 WeakPolarHBondContact O-CA 3.29Å; Y169-I201 VanDerWaalsContact O-CG1 3.31Å; Y169-I201 WeakPolarHBondContact O-CG1 3.41Å; Y169-I201 PolarHBondContact O-N 2.9Å
170	T	98.4	Very high	90.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162.6	160.4	-170.8	0	0	0	0	110.4	A133 I134 F135 F202 W220 F224	A133-T170 PolarHBondContact O-N 3.14Å; A133-T170 VanDerWaalsContact O-N 3.13Å; I134-T170 WeakPolarHBondContact CA-O 3.34Å; I134-T170 HydrophobicContact CB-CG2 4.44Å; I134-T170 HydrophobicContact CG1-CG2 4.11Å; I134-T170 HydrophobicContact CG2-CG2 4.03Å; F135-T170 PolarHBondContact N-O 2.81Å; T170-F202 PolarHBondContact OG1-O 3.31Å; T170-W220 HydrophobicContact CG2-CH2 3.99Å; T170-W220 HydrophobicContact CG2-CZ2 3.84Å; T170-F224 HydrophobicContact CG2-CD2 4.06Å; T170-F224 HydrophobicContact CG2-CE2 3.5Å; T170-F224 HydrophobicContact CG2-CZ 4.21Å
171	V	98.7	Very high	91.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.8	-177.3	-175.2	0	0	0	0	109.9	F135 M137 Y169 V189 D190 L204 G205	F135-V171 HydrophobicContact CB-CG1 4.3Å; F135-V171 HydrophobicContact CB-CG2 4.17Å; F135-V171 HydrophobicContact CD2-CG2 4.37Å; F135-V171 CarbonylContact O-C 3.42Å; F135-V171 WeakPolarHBondContact O-CA 3.43Å; M137-V171 HydrophobicContact CG-CG1 4.34Å; Y169-V171 HydrophobicContact CD2-CG2 3.93Å; Y169-V171 HydrophobicContact CE2-CG2 3.95Å; V171-V189 HydrophobicContact CG2-CG1 4.06Å; V171-D190 HydrophobicContact CB-CB 4.13Å; V171-D190 HydrophobicContact CG2-CB 3.84Å; V171-L204 HydrophobicContact CB-CD1 3.76Å; V171-L204 HydrophobicContact CG1-CD1 3.78Å; V171-L204 WeakPolarHBondContact O-CA 3.32Å; V171-G205 PolarHBondContact O-N 3.19Å
172	F	98.6	Very high	91.8	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.1	164.1	-173.1	-95.3	0	0	0	108.7	F94 F135 C136 M137 L174 L213 D216 F217 W220	F94-F172 HydrophobicContact CD2-CD1 4.18Å; F94-F172 AromaticContact CD2-CE1 3.92Å; F94-F172 HydrophobicContact CD2-CE1 3.92Å; F94-F172 AromaticContact CE2-CE1 3.89Å; F94-F172 HydrophobicContact CE2-CE1 3.89Å; F135-F172 PolarHBondContact O-N 3.3Å; C136-F172 CarbonylContact C-O 3.57Å; C136-F172 WeakPolarHBondContact CA-O 3.15Å; M137-F172 PolarHBondContact N-O 2.8Å; F172-L174 HydrophobicContact CD1-CD1 3.91Å; F172-L174 HydrophobicContact CD1-CG 4.17Å; F172-L174 HydrophobicContact CE1-CD1 4.34Å; F172-L174 HydrophobicContact CE1-CG 4.09Å; F172-L174 WeakPolarHBondContact O-CD1 3.43Å; F172-L213 HydrophobicContact CE1-CD1 4.35Å; F172-D216 HydrophobicContact CZ-CB 4.49Å; F172-F217 AromaticContact CD1-CD2 3.9Å; F172-F217 HydrophobicContact CD1-CD2 3.9Å; F172-F217 HydrophobicContact CD2-CD2 4.3Å; F172-F217 HydrophobicContact CE1-CB 3.96Å; F172-F217 AromaticContact CE1-CD2 3.78Å; F172-F217 HydrophobicContact CE1-CD2 3.78Å; F172-F217 HydrophobicContact CE1-CG 4.34Å; F172-F217 HydrophobicContact CE2-CB 4.29Å; F172-F217 HydrophobicContact CE2-CD2 4.21Å; F172-F217 HydrophobicContact CG-CD2 4.16Å; F172-F217 VanDerWaalsContact CZ-CA 3.42Å; F172-F217 HydrophobicContact CZ-CB 3.64Å; F172-F217 AromaticContact CZ-CD2 3.96Å; F172-F217 HydrophobicContact CZ-CD2 3.96Å; F172-F217 HydrophobicContact CZ-CG 4.32Å; F172-W220 HydrophobicContact CB-CD2 4.46Å; F172-W220 HydrophobicContact CB-CE3 4.43Å; F172-W220 HydrophobicContact CB-CH2 4.33Å; F172-W220 HydrophobicContact CB-CZ2 4.31Å; F172-W220 HydrophobicContact CB-CZ3 4.38Å; F172-W220 HydrophobicContact CD2-CB 3.97Å; F172-W220 AromaticContact CD2-CD2 3.53Å; F172-W220 HydrophobicContact CD2-CD2 3.53Å; F172-W220 AromaticContact CD2-CE3 3.82Å; F172-W220 HydrophobicContact CD2-CE3 3.82Å; F172-W220 AromaticContact CD2-CG 3.58Å; F172-W220 HydrophobicContact CD2-CG 3.58Å; F172-W220 HydrophobicContact CE2-CB 3.75Å; F172-W220 HydrophobicContact CE2-CD2 4.25Å; F172-W220 AromaticContact CE2-CG 3.9Å; F172-W220 HydrophobicContact CE2-CG 3.9Å; F172-W220 HydrophobicContact CG-CD2 4.37Å; F172-W220 HydrophobicContact CG-CE3 4.37Å
173	A	98.1	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.7	179.6	0	0	0	0	0	110.9	M137 N183 L204 G205 G207	M137-A173 WeakPolarHBondContact O-CA 3.48Å; A173-N183 HydrophobicContact CB-CB 3.77Å; A173-N183 VanDerWaalsContact CB-CG 3.46Å; A173-N183 VanDerWaalsContact CB-OD1 3.24Å; A173-N183 WeakPolarHBondContact CB-OD1 3.18Å; A173-N183 PolarHBondContact O-OD1 3.38Å; A173-L204 HydrophobicContact CB-CD1 4.16Å; A173-G205 WeakPolarHBondContact CB-O 3.3Å; A173-G205 PolarHBondContact N-O 2.8Å; A173-G207 PolarHBondContact O-N 2.86Å
174	L	97.9	Very high	92.7	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.2	174.6	-56.4	79	0	0	0	108.9	T90 A91 F94 C136 M137 A138 T139 F172 N183 L213	T90-L174 HydrophobicContact CG2-CD2 3.6Å; A91-L174 HydrophobicContact CB-CD1 3.81Å; A91-L174 HydrophobicContact CB-CD2 3.83Å; F94-L174 HydrophobicContact CD2-CD1 4.49Å; F94-L174 HydrophobicContact CD2-CD2 3.65Å; F94-L174 HydrophobicContact CD2-CG 4.18Å; F94-L174 HydrophobicContact CE2-CD2 3.71Å; F94-L174 HydrophobicContact CE2-CG 4.25Å; C136-L174 HydrophobicContact CB-CD1 4.33Å; M137-L174 PolarHBondContact O-N 3.32Å; A138-L174 WeakPolarHBondContact CA-O 3.44Å; A138-L174 HydrophobicContact CB-CB 4.09Å; T139-L174 PolarHBondContact N-O 2.91Å; F172-L174 HydrophobicContact CD1-CD1 3.91Å; F172-L174 HydrophobicContact CD1-CG 4.17Å; F172-L174 HydrophobicContact CE1-CD1 4.34Å; F172-L174 HydrophobicContact CE1-CG 4.09Å; F172-L174 WeakPolarHBondContact O-CD1 3.43Å; L174-N183 PolarHBondContact N-OD1 3.05Å; L174-N183 PolarHBondContact O-OD1 2.89Å; L174-L213 HydrophobicContact CB-CD1 4.36Å; L174-L213 HydrophobicContact CB-CD2 4.47Å; L174-L213 HydrophobicContact CD2-CD2 4.21Å; L174-L213 HydrophobicContact CG-CD1 4.35Å
175	G	94.5	Very high	92.9	Very high	10 Å²	10	30.7 Å²	30.7	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-175.2	-174.8	0	0	0	0	0	111.3	N183 G207 D208 D209	G175-N183 VanDerWaalsContact CA-OD1 3.22Å; G175-N183 WeakPolarHBondContact CA-OD1 3.17Å; G175-N183 PolarHBondContact N-OD1 2.82Å; G175-G207 PolarHBondContact N-O 3.26Å; G175-G207 VanDerWaalsContact N-O 3.16Å; G175-D208 CarbonylContact O-C 3.56Å; G175-D208 WeakPolarHBondContact O-CA 3.28Å; G175-D209 PolarHBondContact O-N 3.2Å
176	N	90.3	Very high	93.2	Very high	19 Å²	19	27.2 Å²	27.2	10%	0.102	14%	0.144	C	C	.	.			trans	-143.3	124.1	-179	-178.8	-38	0	0	0	109.3	T178 Y179 Y182 D209	N176-T178 PolarHBondContact O-N 2.85Å; N176-T178 WeakPolarHBondContact OD1-CB 3.34Å; N176-T178 WeakPolarHBondContact OD1-CG2 3.47Å; N176-T178 PolarHBondContact OD1-N 3.06Å; N176-T178 PolarHBondContact OD1-OG1 3.09Å; N176-Y179 HydrophobicContact CB-CD2 3.76Å; N176-Y179 HydrophobicContact CB-CE2 4.09Å; N176-Y179 PolarHBondContact O-N 2.96Å; N176-Y182 VanDerWaalsContact C-CD2 3.49Å; N176-D209 HydrophobicContact CB-CB 4.13Å
177	K	88.1	Confident	93.6	Very high	121 Å²	121	28.6 Å²	28.6	53%	0.526	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10	-176.6	-72.2	-172.9	-165	112.2	0	114.2	Y179 Y182 D208	K177-Y179 PolarHBondContact O-N 3.32Å; K177-Y182 HydrophobicContact CB-CD2 4.45Å; K177-Y182 HydrophobicContact CG-CD1 4.15Å; K177-Y182 HydrophobicContact CG-CD2 3.77Å; K177-Y182 HydrophobicContact CG-CE1 4.08Å; K177-Y182 HydrophobicContact CG-CE2 3.66Å; K177-Y182 HydrophobicContact CG-CG 4.01Å; K177-D208 WeakPolarHBondContact CD-OD2 3.22Å; K177-D208 WeakPolarHBondContact CE-OD2 3.31Å; K177-D208 VanDerWaalsContact CG-OD2 3.27Å; K177-D208 WeakPolarHBondContact CG-OD2 3.44Å; K177-D208 PolarHBondContact N-OD1 2.93Å; K177-D208 IonicContact NZ-OD2 3.42Å; K177-D208 PolarHBondContact NZ-OD2 3.38Å
178	T	81.9	Confident	93.7	Very high	24 Å²	24	31.5 Å²	31.5	15%	0.147	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.9	172.5	68	0	0	0	0	112.8	N176 D210	N176-T178 PolarHBondContact O-N 2.85Å; N176-T178 WeakPolarHBondContact OD1-CB 3.34Å; N176-T178 WeakPolarHBondContact OD1-CG2 3.47Å; N176-T178 PolarHBondContact OD1-N 3.06Å; N176-T178 PolarHBondContact OD1-OG1 3.09Å; T178-D210 HydrophobicContact CG2-CB 4.06Å; T178-D210 VanDerWaalsContact CG2-CG 3.47Å; T178-D210 WeakPolarHBondContact CG2-OD1 3.42Å
179	Y	82.1	Confident	93.7	Very high	89 Å²	89	30.3 Å²	30.3	35%	0.349	14%	0.142	S	C	.	.	S	Bend	trans	-91.8	149.4	178.2	-66	-97.4	0	0	0	111.1	N176 K177 H181	N176-Y179 HydrophobicContact CB-CD2 3.76Å; N176-Y179 HydrophobicContact CB-CE2 4.09Å; N176-Y179 PolarHBondContact O-N 2.96Å; K177-Y179 PolarHBondContact O-N 3.32Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 2.83Å
180	E	81.2	Confident	93.8	Very high	83 Å²	83	30.9 Å²	30.9	39%	0.388	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-41.6	179.1	179.2	162.8	-176.8	0	0	111.7	Y182 K662	E180-Y182 VanDerWaalsContact C-N 3.31Å; E180-Y182 PolarHBondContact O-N 3.15Å; E180-K662 WeakPolarHBondContact OE1-CE 3.49Å; E180-K662 IonicContact OE1-NZ 2.8Å; E180-K662 PolarHBondContact OE1-NZ 2.93Å
181	H	86.5	Confident	93.7	Very high	81 Å²	81	36.7 Å²	36.7	38%	0.375	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	51.5	-175.4	-63.3	-65.3	0	0	0	112.8	E142 G143 Y179 N183 A184	E142-H181 VanDerWaalsContact C-CD2 3.44Å; E142-H181 PolarHBondContact O-CD2 2.84Å; G143-H181 VanDerWaalsContact CA-CB 3.44Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 2.83Å; H181-N183 PolarHBondContact O-N 3.31Å; H181-N183 VanDerWaalsContact O-N 3.17Å; H181-A184 HydrophobicContact CB-CB 3.98Å; H181-A184 WeakPolarHBondContact O-CB 3.48Å; H181-A184 PolarHBondContact O-N 3.38Å; H181-A184 VanDerWaalsContact O-N 3.16Å
182	Y	93.3	Very high	93.6	Very high	34 Å²	34	37.7 Å²	37.7	13%	0.133	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	118.9	-179.5	175.2	-121	0	0	0	112.5	N176 K177 E180 A184 K187 Q206 G207 D208	N176-Y182 VanDerWaalsContact C-CD2 3.49Å; K177-Y182 HydrophobicContact CB-CD2 4.45Å; K177-Y182 HydrophobicContact CG-CD1 4.15Å; K177-Y182 HydrophobicContact CG-CD2 3.77Å; K177-Y182 HydrophobicContact CG-CE1 4.08Å; K177-Y182 HydrophobicContact CG-CE2 3.66Å; K177-Y182 HydrophobicContact CG-CG 4.01Å; E180-Y182 VanDerWaalsContact C-N 3.31Å; E180-Y182 PolarHBondContact O-N 3.15Å; Y182-A184 PolarHBondContact O-N 3.29Å; Y182-K187 WeakPolarHBondContact O-CE 3.38Å; Y182-K187 PolarHBondContact O-NZ 2.86Å; Y182-Q206 HydrophobicContact CE1-CB 4.45Å; Y182-Q206 PolarHBondContact OH-O 2.95Å; Y182-G207 WeakPolarHBondContact CE2-O 3.37Å; Y182-G207 PolarHBondContact OH-O 2.83Å; Y182-D208 HydrophobicContact CE2-CB 4.22Å
183	N	96.2	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	26.8	179.3	-82	-38.3	0	0	0	114.6	A173 L174 G175 H181 M185 G186 K187 Q206 G207	A173-N183 HydrophobicContact CB-CB 3.77Å; A173-N183 VanDerWaalsContact CB-CG 3.46Å; A173-N183 VanDerWaalsContact CB-OD1 3.24Å; A173-N183 WeakPolarHBondContact CB-OD1 3.18Å; A173-N183 PolarHBondContact O-OD1 3.38Å; L174-N183 PolarHBondContact N-OD1 3.05Å; L174-N183 PolarHBondContact O-OD1 2.89Å; G175-N183 VanDerWaalsContact CA-OD1 3.22Å; G175-N183 WeakPolarHBondContact CA-OD1 3.17Å; G175-N183 PolarHBondContact N-OD1 2.82Å; H181-N183 PolarHBondContact O-N 3.31Å; H181-N183 VanDerWaalsContact O-N 3.17Å; N183-M185 PolarHBondContact O-N 3.25Å; N183-G186 PolarHBondContact O-N 3.49Å; N183-K187 HydrophobicContact CB-CD 4.33Å; N183-K187 HydrophobicContact CB-CG 4.39Å; N183-K187 WeakPolarHBondContact O-CB 3.31Å; N183-K187 VanDerWaalsContact O-CG 3.28Å; N183-K187 WeakPolarHBondContact O-CG 3.22Å; N183-K187 PolarHBondContact O-N 3.28Å; N183-Q206 WeakPolarHBondContact ND2-CA 3.38Å; N183-G207 PolarHBondContact ND2-O 3.11Å; N183-G207 VanDerWaalsContact ND2-O 3.09Å
184	A	96.3	Very high	93.4	Very high	26 Å²	26	42.2 Å²	42.2	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-53.7	-47.8	-175.1	0	0	0	0	0	114.1	T139 H181 Y182 K187 Y188	T139-A184 HydrophobicContact CG2-CB 4.05Å; T139-A184 PolarHBondContact OG1-N 2.93Å; T139-A184 VanDerWaalsContact OG1-N 3.15Å; H181-A184 HydrophobicContact CB-CB 3.98Å; H181-A184 WeakPolarHBondContact O-CB 3.48Å; H181-A184 PolarHBondContact O-N 3.38Å; H181-A184 VanDerWaalsContact O-N 3.16Å; Y182-A184 PolarHBondContact O-N 3.29Å; A184-K187 PolarHBondContact O-N 3.36Å; A184-Y188 VanDerWaalsContact O-CB 3.27Å; A184-Y188 WeakPolarHBondContact O-CB 3.43Å; A184-Y188 PolarHBondContact O-N 2.99Å
185	M	97.3	Very high	93.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-48.3	-178.7	-175.3	53.4	-171.8	0	0	112.3	M137 T139 P145 F152 Y153 N183 K187 Y188 V189	M137-M185 HydrophobicContact CB-CG 4.26Å; M137-M185 HydrophobicContact CE-CE 3.68Å; M137-M185 HydrophobicContact CE-CG 4.19Å; T139-M185 PolarHBondContact OG1-N 2.85Å; P145-M185 HydrophobicContact CB-CE 4.04Å; P145-M185 HydrophobicContact CB-CG 4.18Å; P145-M185 HydrophobicContact CB-SD 3.81Å; F152-M185 HydrophobicContact CD1-CE 4.44Å; Y153-M185 HydrophobicContact CD2-CE 3.84Å; Y153-M185 HydrophobicContact CD2-SD 3.53Å; Y153-M185 VanDerWaalsContact CD2-SD 3.53Å; Y153-M185 HydrophobicContact CE2-SD 4.18Å; Y153-M185 HydrophobicContact CG-CE 4.29Å; Y153-M185 HydrophobicContact CG-SD 4.32Å; N183-M185 PolarHBondContact O-N 3.25Å; M185-K187 PolarHBondContact O-N 3.29Å; M185-Y188 WeakPolarHBondContact O-CB 3.46Å; M185-Y188 PolarHBondContact O-N 3.4Å; M185-Y188 HydrophobicContact SD-CD1 4.41Å; M185-V189 HydrophobicContact CE-CG2 3.45Å; M185-V189 VanDerWaalsContact CE-CG2 3.45Å; M185-V189 WeakPolarHBondContact O-CG2 3.37Å; M185-V189 PolarHBondContact O-N 3.03Å; M185-V189 HydrophobicContact SD-CG2 4.19Å
186	G	97.4	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-38.8	178.3	0	0	0	0	0	113.4	N183 Y188 D190	N183-G186 PolarHBondContact O-N 3.49Å; G186-Y188 VanDerWaalsContact C-N 3.33Å; G186-Y188 PolarHBondContact O-N 2.97Å; G186-D190 WeakPolarHBondContact O-CB 3.45Å; G186-D190 PolarHBondContact O-N 3.12Å
187	K	98.2	Very high	93.5	Very high	77 Å²	77	48 Å²	48	34%	0.335	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-39.5	172.6	-73	169.5	179.4	170	0	112.1	Y182 N183 A184 M185 K191 L204	Y182-K187 WeakPolarHBondContact O-CE 3.38Å; Y182-K187 PolarHBondContact O-NZ 2.86Å; N183-K187 HydrophobicContact CB-CD 4.33Å; N183-K187 HydrophobicContact CB-CG 4.39Å; N183-K187 WeakPolarHBondContact O-CB 3.31Å; N183-K187 VanDerWaalsContact O-CG 3.28Å; N183-K187 WeakPolarHBondContact O-CG 3.22Å; N183-K187 PolarHBondContact O-N 3.28Å; A184-K187 PolarHBondContact O-N 3.36Å; M185-K187 PolarHBondContact O-N 3.29Å; K187-K191 VanDerWaalsContact O-CB 3.3Å; K187-K191 WeakPolarHBondContact O-CB 3.34Å; K187-K191 PolarHBondContact O-N 3.37Å; K187-K191 VanDerWaalsContact O-N 3.09Å; K187-L204 HydrophobicContact CG-CD2 3.92Å
188	Y	97.7	Very high	93.9	Very high	62 Å²	62	42.5 Å²	42.5	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-50.4	178	177.1	-99.2	0	0	0	111.3	Y153 L156 Q157 A184 M185 G186 D190 K191 R192	Y153-Y188 AromaticContact CD2-CD1 3.59Å; Y153-Y188 HydrophobicContact CD2-CD1 3.59Å; Y153-Y188 AromaticContact CD2-CE1 3.51Å; Y153-Y188 HydrophobicContact CD2-CE1 3.51Å; Y153-Y188 AromaticContact CE2-CD1 3.48Å; Y153-Y188 HydrophobicContact CE2-CD1 3.48Å; Y153-Y188 VanDerWaalsContact CE2-CD1 3.48Å; Y153-Y188 HydrophobicContact CE2-CD2 4.48Å; Y153-Y188 AromaticContact CE2-CE1 3.48Å; Y153-Y188 HydrophobicContact CE2-CE1 3.48Å; Y153-Y188 VanDerWaalsContact CE2-CE1 3.48Å; Y153-Y188 HydrophobicContact CE2-CE2 4.49Å; Y153-Y188 HydrophobicContact CE2-CG 4.01Å; L156-Y188 HydrophobicContact CB-CE1 3.94Å; L156-Y188 HydrophobicContact CD1-CD1 4.43Å; L156-Y188 HydrophobicContact CD1-CE1 4.06Å; Q157-Y188 VanDerWaalsContact CG-OH 3.23Å; Q157-Y188 WeakPolarHBondContact CG-OH 3.31Å; A184-Y188 VanDerWaalsContact O-CB 3.27Å; A184-Y188 WeakPolarHBondContact O-CB 3.43Å; A184-Y188 PolarHBondContact O-N 2.99Å; M185-Y188 WeakPolarHBondContact O-CB 3.46Å; M185-Y188 PolarHBondContact O-N 3.4Å; M185-Y188 HydrophobicContact SD-CD1 4.41Å; G186-Y188 VanDerWaalsContact C-N 3.33Å; G186-Y188 PolarHBondContact O-N 2.97Å; Y188-D190 PolarHBondContact O-N 3.43Å; Y188-K191 PolarHBondContact O-N 3.46Å; Y188-R192 WeakPolarHBondContact O-CB 3.23Å; Y188-R192 PolarHBondContact O-N 2.88Å
189	V	97.8	Very high	94.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-48.2	177.9	172.5	0	0	0	0	111.4	F135 M137 F152 L156 V171 M185 R192 L193	F135-V189 HydrophobicContact CB-CG1 4.33Å; F135-V189 HydrophobicContact CD1-CG1 4.35Å; F135-V189 HydrophobicContact CD2-CG1 4.46Å; F135-V189 HydrophobicContact CG-CG1 4.14Å; M137-V189 HydrophobicContact CE-CG2 4.27Å; M137-V189 HydrophobicContact CG-CG2 4.24Å; F152-V189 HydrophobicContact CE1-CG1 4.07Å; F152-V189 HydrophobicContact CE1-CG2 3.87Å; F152-V189 HydrophobicContact CZ-CG1 4.24Å; L156-V189 HydrophobicContact CD1-CG2 3.92Å; V171-V189 HydrophobicContact CG2-CG1 4.06Å; M185-V189 HydrophobicContact CE-CG2 3.45Å; M185-V189 VanDerWaalsContact CE-CG2 3.45Å; M185-V189 WeakPolarHBondContact O-CG2 3.37Å; M185-V189 PolarHBondContact O-N 3.03Å; M185-V189 HydrophobicContact SD-CG2 4.19Å; V189-R192 PolarHBondContact O-N 3.41Å; V189-L193 HydrophobicContact CG1-CD1 3.63Å; V189-L193 HydrophobicContact CG1-CG 4.2Å; V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3.02Å
190	D	98.3	Very high	95.4	Very high	12 Å²	12	46 Å²	46	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-52.1	179.7	177.3	80.9	0	0	0	111.6	Y169 V171 G186 Y188 R192 E194 R200 L204	Y169-D190 PolarHBondContact OH-O 3.17Å; V171-D190 HydrophobicContact CB-CB 4.13Å; V171-D190 HydrophobicContact CG2-CB 3.84Å; G186-D190 WeakPolarHBondContact O-CB 3.45Å; G186-D190 PolarHBondContact O-N 3.12Å; Y188-D190 PolarHBondContact O-N 3.43Å; D190-R192 VanDerWaalsContact C-N 3.31Å; D190-R192 PolarHBondContact O-N 3.47Å; D190-E194 PolarHBondContact O-N 3.26Å; D190-R200 IonicContact OD1-CZ 3.35Å; D190-R200 IonicContact OD1-NE 3.46Å; D190-R200 PolarHBondContact OD1-NE 3.41Å; D190-R200 IonicContact OD1-NH2 3.26Å; D190-R200 IonicContact OD2-CZ 2.83Å; D190-R200 IonicContact OD2-NE 2.64Å; D190-R200 PolarHBondContact OD2-NE 2.68Å; D190-R200 IonicContact OD2-NH2 2.75Å; D190-R200 PolarHBondContact OD2-NH2 2.93Å; D190-L204 HydrophobicContact CB-CD1 4.08Å; D190-L204 HydrophobicContact CB-CD2 4.24Å
191	K	97.3	Very high	96	Very high	122 Å²	122	43.1 Å²	43.1	53%	0.53	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-44.2	177.6	178.9	178.6	167.4	-175.2	0	111.7	K187 Y188 E194 E195	K187-K191 VanDerWaalsContact O-CB 3.3Å; K187-K191 WeakPolarHBondContact O-CB 3.34Å; K187-K191 PolarHBondContact O-N 3.37Å; K187-K191 VanDerWaalsContact O-N 3.09Å; Y188-K191 PolarHBondContact O-N 3.46Å; K191-E194 PolarHBondContact O-N 2.68Å; K191-E195 WeakPolarHBondContact CE-OE1 3.27Å; K191-E195 IonicContact NZ-OE1 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.38Å; K191-E195 PolarHBondContact O-N 3.01Å
192	R	96.3	Very high	96.5	Very high	21 Å²	21	40.9 Å²	40.9	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-38	-172	-174.2	53.8	173.2	172.6	-0.5	112.9	L156 D160 Y188 V189 D190 E194 E195 L196	L156-R192 HydrophobicContact CB-CG 4.05Å; L156-R192 HydrophobicContact CD2-CB 4.46Å; L156-R192 HydrophobicContact CD2-CG 3.82Å; L156-R192 HydrophobicContact CG-CG 4.37Å; L156-R192 VanDerWaalsContact O-CZ 3.31Å; L156-R192 PolarHBondContact O-NE 3.44Å; L156-R192 PolarHBondContact O-NH2 3.32Å; D160-R192 VanDerWaalsContact CA-NH2 3.31Å; D160-R192 IonicContact OD1-CZ 3.46Å; D160-R192 IonicContact OD1-NH1 3.53Å; D160-R192 PolarHBondContact OD1-NH1 3.46Å; D160-R192 IonicContact OD1-NH2 2.71Å; D160-R192 PolarHBondContact OD1-NH2 3.37Å; Y188-R192 WeakPolarHBondContact O-CB 3.23Å; Y188-R192 PolarHBondContact O-N 2.88Å; V189-R192 PolarHBondContact O-N 3.41Å; D190-R192 VanDerWaalsContact C-N 3.31Å; D190-R192 PolarHBondContact O-N 3.47Å; R192-E194 VanDerWaalsContact C-N 3.3Å; R192-E194 PolarHBondContact O-N 3.06Å; R192-E195 IonicContact NH1-OE2 2.76Å; R192-E195 PolarHBondContact O-N 3.5Å; R192-L196 HydrophobicContact CG-CD1 4.33Å; R192-L196 WeakPolarHBondContact O-CG 3.45Å; R192-L196 PolarHBondContact O-N 3.15Å
193	L	96.4	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-37.6	174.7	-70.3	172.4	0	0	0	111.6	F135 L156 L164 L167 Y169 V189 L196 G197 A198	F135-L193 HydrophobicContact CD2-CD1 3.83Å; F135-L193 HydrophobicContact CE2-CD1 3.46Å; F135-L193 VanDerWaalsContact CE2-CD1 3.46Å; F135-L193 HydrophobicContact CZ-CD1 3.99Å; L156-L193 HydrophobicContact CD2-CD2 4.28Å; L164-L193 HydrophobicContact CD1-CD2 3.63Å; L167-L193 HydrophobicContact CD2-CD2 4.49Å; Y169-L193 HydrophobicContact CD1-CB 4.12Å; Y169-L193 HydrophobicContact CD2-CB 4.18Å; Y169-L193 HydrophobicContact CD2-CD1 3.56Å; Y169-L193 HydrophobicContact CE1-CB 3.83Å; Y169-L193 HydrophobicContact CE2-CB 3.95Å; Y169-L193 HydrophobicContact CE2-CD1 3.98Å; Y169-L193 HydrophobicContact CG-CB 4.28Å; Y169-L193 HydrophobicContact CG-CD1 3.91Å; V189-L193 HydrophobicContact CG1-CD1 3.63Å; V189-L193 HydrophobicContact CG1-CG 4.2Å; V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3.02Å; L193-L196 PolarHBondContact O-N 3.4Å; L193-G197 PolarHBondContact O-N 3.04Å; L193-A198 HydrophobicContact CB-CB 4.26Å; L193-A198 WeakPolarHBondContact O-CB 3.27Å; L193-A198 PolarHBondContact O-N 3.06Å
194	E	96.2	Very high	96.7	Very high	96 Å²	96	46.8 Å²	46.8	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-43.4	172.8	-172.3	168.2	-133.3	0	0	112.1	D190 K191 R192 L196 G197 R200	D190-E194 PolarHBondContact O-N 3.26Å; K191-E194 PolarHBondContact O-N 2.68Å; R192-E194 VanDerWaalsContact C-N 3.3Å; R192-E194 PolarHBondContact O-N 3.06Å; E194-L196 VanDerWaalsContact C-N 3.26Å; E194-L196 PolarHBondContact O-N 3.43Å; E194-G197 PolarHBondContact O-N 2.97Å; E194-R200 IonicContact OE1-CZ 3.67Å; E194-R200 IonicContact OE1-NH1 3.25Å; E194-R200 PolarHBondContact OE1-NH1 2.65Å; E194-R200 IonicContact OE1-NH2 2.8Å; E194-R200 IonicContact OE2-CZ 3.72Å; E194-R200 IonicContact OE2-NH1 2.81Å; E194-R200 PolarHBondContact OE2-NH1 2.78Å; E194-R200 IonicContact OE2-NH2 3.11Å; E194-R200 PolarHBondContact OE2-NH2 3.23Å
195	E	95.4	Very high	96.8	Very high	110 Å²	110	45.8 Å²	45.8	51%	0.514	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-34.1	175.6	-73.7	175.2	167.3	0	0	112.7	K191 R192 G197	K191-E195 WeakPolarHBondContact CE-OE1 3.27Å; K191-E195 IonicContact NZ-OE1 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.38Å; K191-E195 PolarHBondContact O-N 3.01Å; R192-E195 IonicContact NH1-OE2 2.76Å; R192-E195 PolarHBondContact O-N 3.5Å; E195-G197 PolarHBondContact O-N 3.46Å
196	L	94.9	Very high	96.8	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.047	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.3	175.6	-63.5	172.9	0	0	0	113.6	L156 N159 E162 L164 R192 L193 E194	L156-L196 HydrophobicContact CD2-CD1 4.04Å; N159-L196 WeakPolarHBondContact O-CD2 3.16Å; E162-L196 HydrophobicContact CB-CD2 4.43Å; E162-L196 WeakPolarHBondContact O-CD2 3.49Å; L164-L196 HydrophobicContact CB-CB 4.35Å; L164-L196 HydrophobicContact CD1-CB 3.88Å; L164-L196 HydrophobicContact CD1-CD1 3.92Å; L164-L196 HydrophobicContact CG-CB 4Å; L164-L196 PolarHBondContact N-O 3.39Å; R192-L196 HydrophobicContact CG-CD1 4.33Å; R192-L196 WeakPolarHBondContact O-CG 3.45Å; R192-L196 PolarHBondContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 3.4Å; E194-L196 VanDerWaalsContact C-N 3.26Å; E194-L196 PolarHBondContact O-N 3.43Å
197	G	95	Very high	96.7	Very high	38 Å²	38	49.9 Å²	49.9	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	6.9	173	0	0	0	0	0	116.1	L193 E194 E195	L193-G197 PolarHBondContact O-N 3.04Å; E194-G197 PolarHBondContact O-N 2.97Å; E195-G197 PolarHBondContact O-N 3.46Å
198	A	96.6	Very high	96.5	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-73	151.9	174	0	0	0	0	0	111.5	L164 L167 Y169 L193	L164-A198 HydrophobicContact CB-CB 4.04Å; L167-A198 HydrophobicContact CB-CB 3.92Å; L167-A198 HydrophobicContact CD2-CB 3.94Å; L167-A198 HydrophobicContact CG-CB 4.08Å; L167-A198 CarbonylContact O-C 3.59Å; L167-A198 WeakPolarHBondContact O-CA 3.22Å; Y169-A198 HydrophobicContact CD1-CB 3.49Å; Y169-A198 VanDerWaalsContact CD1-CB 3.49Å; Y169-A198 HydrophobicContact CE1-CB 3.72Å; L193-A198 HydrophobicContact CB-CB 4.26Å; L193-A198 WeakPolarHBondContact O-CB 3.27Å; L193-A198 PolarHBondContact O-N 3.06Å
199	K	96.7	Very high	96.1	Very high	116 Å²	116	48.4 Å²	48.4	50%	0.504	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.4	-178.6	-173.7	-177.1	179.4	-170.6	0	111	L167 N168 Y169 I201 H231	L167-K199 PolarHBondContact O-N 2.64Å; N168-K199 WeakPolarHBondContact CA-O 3.45Å; Y169-K199 WeakPolarHBondContact CD1-O 3.37Å; Y169-K199 PolarHBondContact N-O 3.15Å; K199-I201 PolarHBondContact O-N 3.14Å; K199-H231 PolarHBondContact NZ-CE1 3.31Å
200	R	97.4	Very high	95.5	Very high	71 Å²	71	51.7 Å²	51.7	27%	0.268	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.8	170.7	-169	-172.1	-64.6	105.6	-0.2	109.5	Y169 D190 E194 F202	Y169-R200 HydrophobicContact CE1-CB 4.1Å; Y169-R200 CarbonylContact O-C 3.58Å; Y169-R200 WeakPolarHBondContact O-CA 3.29Å; D190-R200 IonicContact OD1-CZ 3.35Å; D190-R200 IonicContact OD1-NE 3.46Å; D190-R200 PolarHBondContact OD1-NE 3.41Å; D190-R200 IonicContact OD1-NH2 3.26Å; D190-R200 IonicContact OD2-CZ 2.83Å; D190-R200 IonicContact OD2-NE 2.64Å; D190-R200 PolarHBondContact OD2-NE 2.68Å; D190-R200 IonicContact OD2-NH2 2.75Å; D190-R200 PolarHBondContact OD2-NH2 2.93Å; E194-R200 IonicContact OE1-CZ 3.67Å; E194-R200 IonicContact OE1-NH1 3.25Å; E194-R200 PolarHBondContact OE1-NH1 2.65Å; E194-R200 IonicContact OE1-NH2 2.8Å; E194-R200 IonicContact OE2-CZ 3.72Å; E194-R200 IonicContact OE2-NH1 2.81Å; E194-R200 PolarHBondContact OE2-NH1 2.78Å; E194-R200 IonicContact OE2-NH2 3.11Å; E194-R200 PolarHBondContact OE2-NH2 3.23Å; R200-F202 VanDerWaalsContact CG-O 3.24Å; R200-F202 WeakPolarHBondContact CG-O 3.43Å
201	I	95.1	Very high	94.8	Very high	22 Å²	22	53.9 Å²	53.9	11%	0.113	28%	0.283	C	S	.	.			trans	-94.9	-22	179.6	60.9	143.9	0	0	0	113.9	L132 N168 Y169 K199 F224 V228	L132-I201 HydrophobicContact CD1-CD1 3.27Å; L132-I201 HydrophobicContact CD1-CG1 3.6Å; L132-I201 HydrophobicContact CD2-CD1 3.45Å; L132-I201 VanDerWaalsContact CD2-CD1 3.45Å; L132-I201 HydrophobicContact CG-CD1 3.98Å; N168-I201 HydrophobicContact CB-CG2 3.66Å; Y169-I201 VanDerWaalsContact O-CG1 3.31Å; Y169-I201 WeakPolarHBondContact O-CG1 3.41Å; Y169-I201 PolarHBondContact O-N 2.9Å; K199-I201 PolarHBondContact O-N 3.14Å; I201-F224 HydrophobicContact CD1-CE2 4.1Å; I201-V228 HydrophobicContact CD1-CG2 3.77Å
202	F	97.1	Very high	94.1	Very high	33 Å²	33	49.4 Å²	49.4	15%	0.145	27%	0.265	C	S	.	.	S	Bend	trans	-151.5	148.5	178.9	-170.1	-111.3	0	0	0	109.6	T170 R200 W220 Q223 F224 A227	T170-F202 PolarHBondContact OG1-O 3.31Å; R200-F202 VanDerWaalsContact CG-O 3.24Å; R200-F202 WeakPolarHBondContact CG-O 3.43Å; F202-W220 AromaticContact CD1-CE2 3.69Å; F202-W220 AromaticContact CD1-CZ2 3.93Å; F202-W220 HydrophobicContact CD1-CZ2 3.93Å; F202-W220 AromaticContact CD1-NE1 3.41Å; F202-W220 AromaticContact CE1-CD1 3.54Å; F202-W220 HydrophobicContact CE1-CD2 4.25Å; F202-W220 AromaticContact CE1-CE2 3.82Å; F202-W220 HydrophobicContact CE1-CG 4.1Å; F202-W220 HydrophobicContact CE1-CZ2 4.48Å; F202-W220 AromaticContact CE1-NE1 3.35Å; F202-Q223 HydrophobicContact CE2-CB 4.09Å; F202-Q223 HydrophobicContact CZ-CB 3.55Å; F202-F224 HydrophobicContact CB-CD2 3.88Å; F202-F224 HydrophobicContact CB-CE2 4.47Å; F202-F224 HydrophobicContact CD1-CB 3.76Å; F202-F224 AromaticContact CD1-CD2 3.84Å; F202-F224 HydrophobicContact CD1-CD2 3.84Å; F202-F224 HydrophobicContact CD1-CG 4.29Å; F202-F224 HydrophobicContact CE1-CB 3.78Å; F202-F224 HydrophobicContact CG-CB 4.34Å; F202-F224 AromaticContact CG-CD2 3.97Å; F202-F224 HydrophobicContact CG-CD2 3.97Å; F202-F224 HydrophobicContact CZ-CB 4.39Å; F202-A227 HydrophobicContact CD2-CB 3.62Å; F202-A227 HydrophobicContact CE2-CB 4.12Å
203	D	96.5	Very high	93.7	Very high	121 Å²	121	49.2 Å²	49.2	65%	0.647	27%	0.265	S	S	*	.			trans	-59.6	146.2	-173.3	-69.5	-20.9	0	0	0	112.7	G205 W220	D203-G205 PolarHBondContact O-N 3.17Å; D203-G205 VanDerWaalsContact O-N 3.12Å; D203-W220 PolarHBondContact O-NE1 2.93Å
204	L	97.6	Very high	93.1	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.199	27%	0.268	C	S	.	.			trans	-55.2	115.6	174.8	169.5	63.7	0	0	0	110.3	V171 A173 K187 D190 Q206	V171-L204 HydrophobicContact CB-CD1 3.76Å; V171-L204 HydrophobicContact CG1-CD1 3.78Å; V171-L204 WeakPolarHBondContact O-CA 3.32Å; A173-L204 HydrophobicContact CB-CD1 4.16Å; K187-L204 HydrophobicContact CG-CD2 3.92Å; D190-L204 HydrophobicContact CB-CD1 4.08Å; D190-L204 HydrophobicContact CB-CD2 4.24Å; L204-Q206 HydrophobicContact CD2-CG 4.34Å; L204-Q206 HydrophobicContact CG-CG 4.15Å
205	G	97.3	Very high	92.5	Very high	5 Å²	5	48.5 Å²	48.5	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137.2	170.1	0	0	0	0	0	111.1	V171 A173 D203	V171-G205 PolarHBondContact O-N 3.19Å; A173-G205 WeakPolarHBondContact CB-O 3.3Å; A173-G205 PolarHBondContact N-O 2.8Å; D203-G205 PolarHBondContact O-N 3.17Å; D203-G205 VanDerWaalsContact O-N 3.12Å
206	Q	97.2	Very high	92.3	Very high	87 Å²	87	46 Å²	46	41%	0.407	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	90.7	178.6	-66.2	-173	11.9	0	0	110.2	Y182 N183 L204	Y182-Q206 HydrophobicContact CE1-CB 4.45Å; Y182-Q206 PolarHBondContact OH-O 2.95Å; N183-Q206 WeakPolarHBondContact ND2-CA 3.38Å; L204-Q206 HydrophobicContact CD2-CG 4.34Å; L204-Q206 HydrophobicContact CG-CG 4.15Å
207	G	96.1	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.8	176.9	0	0	0	0	0	113.1	A173 G175 Y182 N183	A173-G207 PolarHBondContact O-N 2.86Å; G175-G207 PolarHBondContact N-O 3.26Å; G175-G207 VanDerWaalsContact N-O 3.16Å; Y182-G207 WeakPolarHBondContact CE2-O 3.37Å; Y182-G207 PolarHBondContact OH-O 2.83Å; N183-G207 PolarHBondContact ND2-O 3.11Å; N183-G207 VanDerWaalsContact ND2-O 3.09Å
208	D	93.4	Very high	91.8	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.3	-178.8	-172.2	13.7	0	0	0	112.9	G175 K177 Y182 D210 G211 N212 L213 D216	G175-D208 CarbonylContact O-C 3.56Å; G175-D208 WeakPolarHBondContact O-CA 3.28Å; K177-D208 WeakPolarHBondContact CD-OD2 3.22Å; K177-D208 WeakPolarHBondContact CE-OD2 3.31Å; K177-D208 VanDerWaalsContact CG-OD2 3.27Å; K177-D208 WeakPolarHBondContact CG-OD2 3.44Å; K177-D208 PolarHBondContact N-OD1 2.93Å; K177-D208 IonicContact NZ-OD2 3.42Å; K177-D208 PolarHBondContact NZ-OD2 3.38Å; Y182-D208 HydrophobicContact CE2-CB 4.22Å; D208-D210 VanDerWaalsContact C-N 3.27Å; D208-D210 PolarHBondContact O-N 3.34Å; D208-D210 PolarHBondContact OD1-N 3.14Å; D208-D210 VanDerWaalsContact OD1-N 3.17Å; D208-G211 CarbonylContact O-C 3.56Å; D208-G211 PolarHBondContact O-N 3.39Å; D208-N212 PolarHBondContact O-N 3.48Å; D208-L213 PolarHBondContact O-N 2.92Å; D208-D216 PolarHBondContact N-OD2 3.42Å
209	D	89.8	Confident	91.4	Very high	97 Å²	97	45.4 Å²	45.4	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.4	178.4	-161.8	46.5	0	0	0	113.9	G175 N176 G211 L213	G175-D209 PolarHBondContact O-N 3.2Å; N176-D209 HydrophobicContact CB-CB 4.13Å; D209-G211 VanDerWaalsContact C-N 3.31Å; D209-L213 HydrophobicContact CB-CD2 4.2Å
210	D	85.4	Confident	91.3	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-28.6	169	-164.8	48.5	0	0	0	111.8	T178 D208 R632	T178-D210 HydrophobicContact CG2-CB 4.06Å; T178-D210 VanDerWaalsContact CG2-CG 3.47Å; T178-D210 WeakPolarHBondContact CG2-OD1 3.42Å; D208-D210 VanDerWaalsContact C-N 3.27Å; D208-D210 PolarHBondContact O-N 3.34Å; D208-D210 PolarHBondContact OD1-N 3.14Å; D208-D210 VanDerWaalsContact OD1-N 3.17Å; D210-R632 IonicContact OD1-NE 2.6Å
211	G	83.4	Confident	91	Very high	57 Å²	57	39.6 Å²	39.6	59%	0.588	22%	0.216	S	C	*	.	S	Bend	trans	-96.3	-108.6	177.4	0	0	0	0	0	111.7	D208 D209	D208-G211 CarbonylContact O-C 3.56Å; D208-G211 PolarHBondContact O-N 3.39Å; D209-G211 VanDerWaalsContact C-N 3.31Å
212	N	82.2	Confident	90.6	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	23%	0.229	C	C	.	.			trans	-139.9	85.5	178.5	-170.4	-17.2	0	0	0	110.2	D208 E214 E215 D216	D208-N212 PolarHBondContact O-N 3.48Å; N212-E214 PolarHBondContact O-N 3.2Å; N212-E214 PolarHBondContact OD1-N 3.45Å; N212-E215 HydrophobicContact CB-CB 3.96Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 2.87Å; N212-E215 PolarHBondContact OD1-N 3.4Å; N212-E215 VanDerWaalsContact OD1-N 3.17Å; N212-D216 PolarHBondContact O-N 2.87Å; N212-D216 VanDerWaalsContact O-N 3.1Å
213	L	88.9	Confident	90.3	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-56.1	-32.6	-179.9	179.9	58.7	0	0	0	113.6	T90 F94 F172 L174 D208 D209 F217	T90-L213 HydrophobicContact CG2-CD2 3.81Å; F94-L213 HydrophobicContact CE2-CD1 4.31Å; F94-L213 HydrophobicContact CE2-CD2 4.46Å; F94-L213 HydrophobicContact CE2-CG 4.02Å; F94-L213 HydrophobicContact CZ-CG 4.21Å; F172-L213 HydrophobicContact CE1-CD1 4.35Å; L174-L213 HydrophobicContact CB-CD1 4.36Å; L174-L213 HydrophobicContact CB-CD2 4.47Å; L174-L213 HydrophobicContact CD2-CD2 4.21Å; L174-L213 HydrophobicContact CG-CD1 4.35Å; D208-L213 PolarHBondContact O-N 2.92Å; D209-L213 HydrophobicContact CB-CD2 4.2Å; L213-F217 WeakPolarHBondContact O-CB 3.48Å; L213-F217 PolarHBondContact O-N 3.27Å; L213-F217 VanDerWaalsContact O-N 3.07Å
214	E	82.4	Confident	90.2	Very high	13 Å²	13	41 Å²	41	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-40.5	176.4	-179.2	63.7	-143.1	0	0	111.1	F94 R97 N212 F217 I218 R383 T384	F94-E214 WeakPolarHBondContact CE1-OE2 3.37Å; R97-E214 IonicContact CZ-OE1 2.85Å; R97-E214 VanDerWaalsContact NH1-CD 3.25Å; R97-E214 IonicContact NH1-OE1 3.5Å; R97-E214 PolarHBondContact NH1-OE1 3.46Å; R97-E214 IonicContact NH1-OE2 3.91Å; R97-E214 PolarHBondContact NH1-OE2 3.36Å; R97-E214 IonicContact NH2-OE1 3.56Å; R97-E214 PolarHBondContact NH2-OE1 2.93Å; N212-E214 PolarHBondContact O-N 3.2Å; N212-E214 PolarHBondContact OD1-N 3.45Å; E214-F217 PolarHBondContact O-N 3.12Å; E214-I218 HydrophobicContact CG-CD1 4.02Å; E214-I218 WeakPolarHBondContact O-CD1 3.36Å; E214-I218 VanDerWaalsContact O-CG1 3.24Å; E214-I218 WeakPolarHBondContact O-CG1 3.26Å; E214-I218 PolarHBondContact O-N 2.88Å; E214-R383 IonicContact OE2-NH1 3.3Å; E214-R383 PolarHBondContact OE2-NH1 2.9Å; E214-T384 HydrophobicContact CG-CG2 4.28Å; E214-T384 PolarHBondContact OE1-OG1 3.26Å; E214-T384 VanDerWaalsContact OE1-OG1 3.07Å
215	E	84.9	Confident	89.9	Confident	69 Å²	69	39.2 Å²	39.2	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-42.9	176.7	-173.6	-179	167.6	0	0	112.2	N212 F217 I218 S219 K414	N212-E215 HydrophobicContact CB-CB 3.96Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 2.87Å; N212-E215 PolarHBondContact OD1-N 3.4Å; N212-E215 VanDerWaalsContact OD1-N 3.17Å; E215-F217 VanDerWaalsContact C-N 3.29Å; E215-F217 PolarHBondContact O-N 2.7Å; E215-I218 PolarHBondContact O-N 2.85Å; E215-S219 WeakPolarHBondContact O-CB 3.2Å; E215-S219 PolarHBondContact O-N 2.92Å; E215-S219 PolarHBondContact O-OG 3.1Å; E215-K414 HydrophobicContact CG-CD 4.12Å; E215-K414 VanDerWaalsContact OE1-CD 3.31Å; E215-K414 WeakPolarHBondContact OE1-CD 3.5Å; E215-K414 WeakPolarHBondContact OE1-CE 3.29Å; E215-K414 IonicContact OE1-NZ 3.03Å; E215-K414 PolarHBondContact OE1-NZ 2.64Å
216	D	91.3	Very high	89.5	Confident	56 Å²	56	42.4 Å²	42.4	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-44.5	175.9	-68.9	-33	0	0	0	110.6	F172 D208 N212 S219 W220	F172-D216 HydrophobicContact CZ-CB 4.49Å; D208-D216 PolarHBondContact N-OD2 3.42Å; N212-D216 PolarHBondContact O-N 2.87Å; N212-D216 VanDerWaalsContact O-N 3.1Å; D216-S219 PolarHBondContact O-N 2.95Å; D216-W220 WeakPolarHBondContact O-CB 3.31Å; D216-W220 PolarHBondContact O-N 3.44Å
217	F	92.4	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-46.7	177.4	176.9	-106.8	0	0	0	112.5	F94 L98 F172 L213 E214 E215 S219 W220 R221	F94-F217 HydrophobicContact CB-CD2 4.07Å; F94-F217 HydrophobicContact CB-CE1 4.35Å; F94-F217 HydrophobicContact CB-CE2 3.65Å; F94-F217 HydrophobicContact CB-CZ 3.79Å; F94-F217 HydrophobicContact CD1-CB 4.44Å; F94-F217 AromaticContact CD1-CD1 3.5Å; F94-F217 HydrophobicContact CD1-CD1 3.5Å; F94-F217 HydrophobicContact CD1-CD2 4.09Å; F94-F217 AromaticContact CD1-CE1 3.65Å; F94-F217 HydrophobicContact CD1-CE1 3.65Å; F94-F217 HydrophobicContact CD1-CE2 4.21Å; F94-F217 AromaticContact CD1-CG 3.73Å; F94-F217 HydrophobicContact CD1-CG 3.73Å; F94-F217 HydrophobicContact CD1-CZ 4Å; F94-F217 HydrophobicContact CD2-CB 4.27Å; F94-F217 AromaticContact CD2-CD2 3.76Å; F94-F217 HydrophobicContact CD2-CD2 3.76Å; F94-F217 HydrophobicContact CD2-CE2 4.23Å; F94-F217 AromaticContact CD2-CG 3.92Å; F94-F217 HydrophobicContact CD2-CG 3.92Å; F94-F217 HydrophobicContact CE1-CB 3.98Å; F94-F217 AromaticContact CE1-CD1 3.57Å; F94-F217 HydrophobicContact CE1-CD1 3.57Å; F94-F217 HydrophobicContact CE1-CD2 4.45Å; F94-F217 HydrophobicContact CE1-CE1 4.17Å; F94-F217 AromaticContact CE1-CG 3.72Å; F94-F217 HydrophobicContact CE1-CG 3.72Å; F94-F217 HydrophobicContact CE2-CB 3.81Å; F94-F217 HydrophobicContact CE2-CD2 4.19Å; F94-F217 AromaticContact CE2-CG 3.94Å; F94-F217 HydrophobicContact CE2-CG 3.94Å; F94-F217 HydrophobicContact CG-CD1 4.03Å; F94-F217 AromaticContact CG-CD2 3.72Å; F94-F217 HydrophobicContact CG-CD2 3.72Å; F94-F217 HydrophobicContact CG-CE1 4.1Å; F94-F217 AromaticContact CG-CE2 3.8Å; F94-F217 HydrophobicContact CG-CE2 3.8Å; F94-F217 AromaticContact CG-CG 3.83Å; F94-F217 HydrophobicContact CG-CG 3.83Å; F94-F217 AromaticContact CG-CZ 3.98Å; F94-F217 HydrophobicContact CG-CZ 3.98Å; F94-F217 HydrophobicContact CZ-CB 3.65Å; F94-F217 HydrophobicContact CZ-CD1 4.15Å; F94-F217 AromaticContact CZ-CG 3.84Å; F94-F217 HydrophobicContact CZ-CG 3.84Å; L98-F217 HydrophobicContact CD1-CE2 4.09Å; L98-F217 HydrophobicContact CD1-CZ 4.36Å; L98-F217 HydrophobicContact CD2-CE2 4.22Å; L98-F217 HydrophobicContact CD2-CZ 3.93Å; L98-F217 HydrophobicContact CG-CE2 4.13Å; L98-F217 HydrophobicContact CG-CZ 3.89Å; F172-F217 AromaticContact CD1-CD2 3.9Å; F172-F217 HydrophobicContact CD1-CD2 3.9Å; F172-F217 HydrophobicContact CD2-CD2 4.3Å; F172-F217 HydrophobicContact CE1-CB 3.96Å; F172-F217 AromaticContact CE1-CD2 3.78Å; F172-F217 HydrophobicContact CE1-CD2 3.78Å; F172-F217 HydrophobicContact CE1-CG 4.34Å; F172-F217 HydrophobicContact CE2-CB 4.29Å; F172-F217 HydrophobicContact CE2-CD2 4.21Å; F172-F217 HydrophobicContact CG-CD2 4.16Å; F172-F217 VanDerWaalsContact CZ-CA 3.42Å; F172-F217 HydrophobicContact CZ-CB 3.64Å; F172-F217 AromaticContact CZ-CD2 3.96Å; F172-F217 HydrophobicContact CZ-CD2 3.96Å; F172-F217 HydrophobicContact CZ-CG 4.32Å; L213-F217 WeakPolarHBondContact O-CB 3.48Å; L213-F217 PolarHBondContact O-N 3.27Å; L213-F217 VanDerWaalsContact O-N 3.07Å; E214-F217 PolarHBondContact O-N 3.12Å; E215-F217 VanDerWaalsContact C-N 3.29Å; E215-F217 PolarHBondContact O-N 2.7Å; F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 PolarHBondContact O-N 2.94Å; F217-W220 HydrophobicContact CE2-CE3 4.42Å; F217-W220 HydrophobicContact CE2-CZ3 4.48Å; F217-W220 PolarHBondContact O-N 2.87Å; F217-R221 WeakPolarHBondContact O-CB 3.42Å; F217-R221 PolarHBondContact O-N 3.08Å
218	I	85.9	Confident	89	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-46.6	178	-69.1	164.4	0	0	0	110.5	E214 E215 W220 R221 E222 T384	E214-I218 HydrophobicContact CG-CD1 4.02Å; E214-I218 WeakPolarHBondContact O-CD1 3.36Å; E214-I218 VanDerWaalsContact O-CG1 3.24Å; E214-I218 WeakPolarHBondContact O-CG1 3.26Å; E214-I218 PolarHBondContact O-N 2.88Å; E215-I218 PolarHBondContact O-N 2.85Å; I218-W220 VanDerWaalsContact C-N 3.32Å; I218-W220 PolarHBondContact O-N 3.15Å; I218-R221 PolarHBondContact O-N 3.3Å; I218-E222 HydrophobicContact CG2-CG 4.37Å; I218-E222 WeakPolarHBondContact O-CG 3.48Å; I218-E222 PolarHBondContact O-N 2.82Å; I218-T384 HydrophobicContact CD1-CG2 4.06Å; I218-T384 WeakPolarHBondContact CD1-OG1 3.29Å
219	S	87.9	Confident	88.8	Confident	33 Å²	33	39.7 Å²	39.7	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-37.4	-177.2	-53	0	0	0	0	111.8	E215 D216 F217 Q223 K414	E215-S219 WeakPolarHBondContact O-CB 3.2Å; E215-S219 PolarHBondContact O-N 2.92Å; E215-S219 PolarHBondContact O-OG 3.1Å; D216-S219 PolarHBondContact O-N 2.95Å; F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 PolarHBondContact O-N 2.94Å; S219-Q223 PolarHBondContact O-NE2 2.86Å; S219-K414 PolarHBondContact OG-NZ 3.21Å
220	W	94.8	Very high	88.7	Confident	18 Å²	18	43.2 Å²	43.2	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-48.9	172	177.9	88.6	0	0	0	111.5	L98 I134 T170 F172 F202 D203 D216 F217 I218 E222 Q223 F224	L98-W220 HydrophobicContact CD1-CH2 4.29Å; L98-W220 HydrophobicContact CD1-CZ3 3.87Å; L98-W220 HydrophobicContact CD2-CZ3 4.05Å; I134-W220 HydrophobicContact CG2-CH2 4.4Å; T170-W220 HydrophobicContact CG2-CH2 3.99Å; T170-W220 HydrophobicContact CG2-CZ2 3.84Å; F172-W220 HydrophobicContact CB-CD2 4.46Å; F172-W220 HydrophobicContact CB-CE3 4.43Å; F172-W220 HydrophobicContact CB-CH2 4.33Å; F172-W220 HydrophobicContact CB-CZ2 4.31Å; F172-W220 HydrophobicContact CB-CZ3 4.38Å; F172-W220 HydrophobicContact CD2-CB 3.97Å; F172-W220 AromaticContact CD2-CD2 3.53Å; F172-W220 HydrophobicContact CD2-CD2 3.53Å; F172-W220 AromaticContact CD2-CE3 3.82Å; F172-W220 HydrophobicContact CD2-CE3 3.82Å; F172-W220 AromaticContact CD2-CG 3.58Å; F172-W220 HydrophobicContact CD2-CG 3.58Å; F172-W220 HydrophobicContact CE2-CB 3.75Å; F172-W220 HydrophobicContact CE2-CD2 4.25Å; F172-W220 AromaticContact CE2-CG 3.9Å; F172-W220 HydrophobicContact CE2-CG 3.9Å; F172-W220 HydrophobicContact CG-CD2 4.37Å; F172-W220 HydrophobicContact CG-CE3 4.37Å; F202-W220 AromaticContact CD1-CE2 3.69Å; F202-W220 AromaticContact CD1-CZ2 3.93Å; F202-W220 HydrophobicContact CD1-CZ2 3.93Å; F202-W220 AromaticContact CD1-NE1 3.41Å; F202-W220 AromaticContact CE1-CD1 3.54Å; F202-W220 HydrophobicContact CE1-CD2 4.25Å; F202-W220 AromaticContact CE1-CE2 3.82Å; F202-W220 HydrophobicContact CE1-CG 4.1Å; F202-W220 HydrophobicContact CE1-CZ2 4.48Å; F202-W220 AromaticContact CE1-NE1 3.35Å; D203-W220 PolarHBondContact O-NE1 2.93Å; D216-W220 WeakPolarHBondContact O-CB 3.31Å; D216-W220 PolarHBondContact O-N 3.44Å; F217-W220 HydrophobicContact CE2-CE3 4.42Å; F217-W220 HydrophobicContact CE2-CZ3 4.48Å; F217-W220 PolarHBondContact O-N 2.87Å; I218-W220 VanDerWaalsContact C-N 3.32Å; I218-W220 PolarHBondContact O-N 3.15Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 2.97Å; W220-Q223 PolarHBondContact O-N 2.6Å; W220-F224 HydrophobicContact CD2-CB 4.34Å; W220-F224 HydrophobicContact CE3-CB 4.2Å; W220-F224 HydrophobicContact CE3-CG 4.5Å; W220-F224 HydrophobicContact CH2-CB 4.19Å; W220-F224 HydrophobicContact CH2-CD1 4.02Å; W220-F224 AromaticContact CH2-CD2 3.83Å; W220-F224 HydrophobicContact CH2-CD2 3.83Å; W220-F224 HydrophobicContact CH2-CE1 4.4Å; W220-F224 HydrophobicContact CH2-CE2 4.24Å; W220-F224 AromaticContact CH2-CG 3.71Å; W220-F224 HydrophobicContact CH2-CG 3.71Å; W220-F224 HydrophobicContact CZ2-CB 4.35Å; W220-F224 HydrophobicContact CZ2-CD2 4Å; W220-F224 HydrophobicContact CZ2-CG 4.14Å; W220-F224 HydrophobicContact CZ3-CB 4.11Å; W220-F224 AromaticContact CZ3-CD1 3.97Å; W220-F224 HydrophobicContact CZ3-CD1 3.97Å; W220-F224 HydrophobicContact CZ3-CD2 4.49Å; W220-F224 AromaticContact CZ3-CG 3.92Å; W220-F224 HydrophobicContact CZ3-CG 3.92Å; W220-F224 VanDerWaalsContact O-CB 3.28Å; W220-F224 WeakPolarHBondContact O-CB 3.23Å; W220-F224 PolarHBondContact O-N 3.34Å
221	R	91.7	Very high	88.9	Confident	46 Å²	46	43.2 Å²	43.2	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-39.2	-177	-177.2	-175.5	73	152.9	-3.3	113.2	L98 D101 F217 I218 Q223 F224 W225	L98-R221 HydrophobicContact CD2-CG 3.84Å; D101-R221 IonicContact OD1-NH1 3.94Å; D101-R221 WeakPolarHBondContact OD2-CD 3.11Å; D101-R221 IonicContact OD2-CZ 2.9Å; D101-R221 IonicContact OD2-NE 3.26Å; D101-R221 IonicContact OD2-NH1 2.7Å; D101-R221 PolarHBondContact OD2-NH1 3.4Å; F217-R221 WeakPolarHBondContact O-CB 3.42Å; F217-R221 PolarHBondContact O-N 3.08Å; I218-R221 PolarHBondContact O-N 3.3Å; R221-Q223 VanDerWaalsContact C-N 3.27Å; R221-Q223 PolarHBondContact O-N 3.39Å; R221-F224 PolarHBondContact O-N 3.1Å; R221-W225 PolarHBondContact O-N 3.13Å
222	E	87.4	Confident	89.3	Confident	82 Å²	82	41.7 Å²	41.7	38%	0.383	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-27.6	179.9	-77.4	-177.3	178	0	0	113.5	I218 W220 P226 S409	I218-E222 HydrophobicContact CG2-CG 4.37Å; I218-E222 WeakPolarHBondContact O-CG 3.48Å; I218-E222 PolarHBondContact O-N 2.82Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 2.97Å; E222-P226 WeakPolarHBondContact O-CD 3.42Å; E222-P226 VanDerWaalsContact O-CG 3.27Å; E222-P226 WeakPolarHBondContact O-CG 3.43Å; E222-S409 WeakPolarHBondContact OE1-CB 3.25Å; E222-S409 PolarHBondContact OE1-OG 3.47Å; E222-S409 WeakPolarHBondContact OE2-CB 3.46Å; E222-S409 PolarHBondContact OE2-OG 2.96Å
223	Q	90.4	Very high	89.5	Confident	124 Å²	124	43.5 Å²	43.5	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-89.8	-32.1	174.7	-67.7	172.3	73.2	0	0	111.7	F202 S219 W220 R221 P226 A227	F202-Q223 HydrophobicContact CE2-CB 4.09Å; F202-Q223 HydrophobicContact CZ-CB 3.55Å; S219-Q223 PolarHBondContact O-NE2 2.86Å; W220-Q223 PolarHBondContact O-N 2.6Å; R221-Q223 VanDerWaalsContact C-N 3.27Å; R221-Q223 PolarHBondContact O-N 3.39Å; Q223-P226 WeakPolarHBondContact O-CD 3.25Å; Q223-A227 PolarHBondContact O-N 3.22Å
224	F	94.1	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-54.1	179.4	165.4	-111.3	0	0	0	112.5	L98 L132 I134 T170 I201 F202 W220 R221 A227 V228	L98-F224 HydrophobicContact CD2-CD1 4.31Å; L98-F224 HydrophobicContact CD2-CE1 4.32Å; L132-F224 HydrophobicContact CD2-CE2 4.32Å; L132-F224 HydrophobicContact CD2-CZ 3.99Å; I134-F224 HydrophobicContact CD1-CE1 3.85Å; I134-F224 HydrophobicContact CD1-CE2 4.42Å; I134-F224 HydrophobicContact CD1-CZ 3.41Å; I134-F224 VanDerWaalsContact CD1-CZ 3.41Å; I134-F224 HydrophobicContact CG1-CZ 4.14Å; T170-F224 HydrophobicContact CG2-CD2 4.06Å; T170-F224 HydrophobicContact CG2-CE2 3.5Å; T170-F224 HydrophobicContact CG2-CZ 4.21Å; I201-F224 HydrophobicContact CD1-CE2 4.1Å; F202-F224 HydrophobicContact CB-CD2 3.88Å; F202-F224 HydrophobicContact CB-CE2 4.47Å; F202-F224 HydrophobicContact CD1-CB 3.76Å; F202-F224 AromaticContact CD1-CD2 3.84Å; F202-F224 HydrophobicContact CD1-CD2 3.84Å; F202-F224 HydrophobicContact CD1-CG 4.29Å; F202-F224 HydrophobicContact CE1-CB 3.78Å; F202-F224 HydrophobicContact CG-CB 4.34Å; F202-F224 AromaticContact CG-CD2 3.97Å; F202-F224 HydrophobicContact CG-CD2 3.97Å; F202-F224 HydrophobicContact CZ-CB 4.39Å; W220-F224 HydrophobicContact CD2-CB 4.34Å; W220-F224 HydrophobicContact CE3-CB 4.2Å; W220-F224 HydrophobicContact CE3-CG 4.5Å; W220-F224 HydrophobicContact CH2-CB 4.19Å; W220-F224 HydrophobicContact CH2-CD1 4.02Å; W220-F224 AromaticContact CH2-CD2 3.83Å; W220-F224 HydrophobicContact CH2-CD2 3.83Å; W220-F224 HydrophobicContact CH2-CE1 4.4Å; W220-F224 HydrophobicContact CH2-CE2 4.24Å; W220-F224 AromaticContact CH2-CG 3.71Å; W220-F224 HydrophobicContact CH2-CG 3.71Å; W220-F224 HydrophobicContact CZ2-CB 4.35Å; W220-F224 HydrophobicContact CZ2-CD2 4Å; W220-F224 HydrophobicContact CZ2-CG 4.14Å; W220-F224 HydrophobicContact CZ3-CB 4.11Å; W220-F224 AromaticContact CZ3-CD1 3.97Å; W220-F224 HydrophobicContact CZ3-CD1 3.97Å; W220-F224 HydrophobicContact CZ3-CD2 4.49Å; W220-F224 AromaticContact CZ3-CG 3.92Å; W220-F224 HydrophobicContact CZ3-CG 3.92Å; W220-F224 VanDerWaalsContact O-CB 3.28Å; W220-F224 WeakPolarHBondContact O-CB 3.23Å; W220-F224 PolarHBondContact O-N 3.34Å; R221-F224 PolarHBondContact O-N 3.1Å; F224-A227 WeakPolarHBondContact O-CB 3.27Å; F224-A227 PolarHBondContact O-N 2.99Å; F224-A227 VanDerWaalsContact O-N 3.12Å; F224-V228 HydrophobicContact CD1-CG2 4.49Å; F224-V228 HydrophobicContact CD2-CG2 3.79Å; F224-V228 HydrophobicContact CE1-CG2 4.04Å; F224-V228 HydrophobicContact CE2-CG2 3.23Å; F224-V228 HydrophobicContact CG-CG2 4.38Å; F224-V228 HydrophobicContact CZ-CG2 3.37Å; F224-V228 WeakPolarHBondContact O-CG2 3.41Å; F224-V228 PolarHBondContact O-N 3.02Å
225	W	91.8	Very high	89.1	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-43.5	-174.8	-74.2	119.8	0	0	0	114.3	I80 L98 D101 A102 Y105 M107 R221 A227 V228 C229	I80-W225 HydrophobicContact CD1-CH2 4Å; I80-W225 HydrophobicContact CD1-CZ3 3.83Å; L98-W225 HydrophobicContact CB-CZ2 4.42Å; L98-W225 HydrophobicContact CD2-CZ2 4.21Å; L98-W225 VanDerWaalsContact O-CZ2 3.22Å; L98-W225 WeakPolarHBondContact O-CZ2 3.27Å; D101-W225 HydrophobicContact CB-CZ2 3.5Å; D101-W225 VanDerWaalsContact CB-CZ2 3.5Å; A102-W225 HydrophobicContact CB-CH2 3.93Å; Y105-W225 HydrophobicContact CD1-CB 4.32Å; Y105-W225 HydrophobicContact CD2-CB 4.1Å; Y105-W225 AromaticContact CD2-CD2 3.49Å; Y105-W225 HydrophobicContact CD2-CD2 3.49Å; Y105-W225 VanDerWaalsContact CD2-CD2 3.49Å; Y105-W225 AromaticContact CD2-CE3 3.56Å; Y105-W225 HydrophobicContact CD2-CE3 3.56Å; Y105-W225 AromaticContact CD2-CG 3.75Å; Y105-W225 HydrophobicContact CD2-CG 3.75Å; Y105-W225 HydrophobicContact CD2-CZ3 4.21Å; Y105-W225 HydrophobicContact CE1-CB 3.79Å; Y105-W225 HydrophobicContact CE1-CG 4.38Å; Y105-W225 HydrophobicContact CE2-CB 3.56Å; Y105-W225 AromaticContact CE2-CD1 3.52Å; Y105-W225 AromaticContact CE2-CD2 3.46Å; Y105-W225 HydrophobicContact CE2-CD2 3.46Å; Y105-W225 VanDerWaalsContact CE2-CD2 3.46Å; Y105-W225 AromaticContact CE2-CE2 3.93Å; Y105-W225 HydrophobicContact CE2-CE3 4.04Å; Y105-W225 AromaticContact CE2-CG 3.22Å; Y105-W225 HydrophobicContact CE2-CG 3.22Å; Y105-W225 AromaticContact CE2-NE1 3.91Å; Y105-W225 HydrophobicContact CG-CB 4.46Å; Y105-W225 HydrophobicContact CG-CD2 4.32Å; Y105-W225 HydrophobicContact CG-CE3 4.07Å; Y105-W225 AromaticContact CZ-CD1 3.95Å; Y105-W225 AromaticContact CZ-CG 3.58Å; M107-W225 HydrophobicContact CE-CE3 4.04Å; M107-W225 HydrophobicContact CE-CZ3 3.66Å; R221-W225 PolarHBondContact O-N 3.13Å; W225-A227 VanDerWaalsContact C-N 3.3Å; W225-A227 PolarHBondContact O-N 2.69Å; W225-V228 HydrophobicContact CE3-CB 4.37Å; W225-V228 HydrophobicContact CE3-CG2 4.43Å; W225-V228 PolarHBondContact O-N 2.95Å; W225-C229 PolarHBondContact O-N 2.99Å
226	P	88.6	Confident	88.7	Confident	72 Å²	72	51.8 Å²	51.8	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-55.7	-41.5	171.1	-28.5	36	0	0	0	113.7	E222 Q223 V228 C229 E230	E222-P226 WeakPolarHBondContact O-CD 3.42Å; E222-P226 VanDerWaalsContact O-CG 3.27Å; E222-P226 WeakPolarHBondContact O-CG 3.43Å; Q223-P226 WeakPolarHBondContact O-CD 3.25Å; P226-V228 PolarHBondContact O-N 2.72Å; P226-C229 WeakPolarHBondContact O-CB 3.39Å; P226-C229 PolarHBondContact O-N 3.2Å; P226-E230 PolarHBondContact O-N 3.29Å
227	A	90.4	Very high	87.5	Confident	22 Å²	22	52.2 Å²	52.2	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-38	177.7	0	0	0	0	0	112.2	F202 Q223 F224 W225 E230 H231	F202-A227 HydrophobicContact CD2-CB 3.62Å; F202-A227 HydrophobicContact CE2-CB 4.12Å; Q223-A227 PolarHBondContact O-N 3.22Å; F224-A227 WeakPolarHBondContact O-CB 3.27Å; F224-A227 PolarHBondContact O-N 2.99Å; F224-A227 VanDerWaalsContact O-N 3.12Å; W225-A227 VanDerWaalsContact C-N 3.3Å; W225-A227 PolarHBondContact O-N 2.69Å; A227-E230 PolarHBondContact O-N 3.03Å; A227-H231 WeakPolarHBondContact O-CB 3.18Å; A227-H231 PolarHBondContact O-N 3.05Å
228	V	91.9	Very high	85.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-44.6	173.8	179.5	0	0	0	0	110.9	M107 L132 I201 F224 W225 P226 H231 F232	M107-V228 HydrophobicContact CE-CG1 3.57Å; M107-V228 HydrophobicContact SD-CG1 3.87Å; L132-V228 HydrophobicContact CD2-CG1 4.23Å; L132-V228 HydrophobicContact CD2-CG2 4.09Å; I201-V228 HydrophobicContact CD1-CG2 3.77Å; F224-V228 HydrophobicContact CD1-CG2 4.49Å; F224-V228 HydrophobicContact CD2-CG2 3.79Å; F224-V228 HydrophobicContact CE1-CG2 4.04Å; F224-V228 HydrophobicContact CE2-CG2 3.23Å; F224-V228 HydrophobicContact CG-CG2 4.38Å; F224-V228 HydrophobicContact CZ-CG2 3.37Å; F224-V228 WeakPolarHBondContact O-CG2 3.41Å; F224-V228 PolarHBondContact O-N 3.02Å; W225-V228 HydrophobicContact CE3-CB 4.37Å; W225-V228 HydrophobicContact CE3-CG2 4.43Å; W225-V228 PolarHBondContact O-N 2.95Å; P226-V228 PolarHBondContact O-N 2.72Å; V228-H231 PolarHBondContact O-N 3.01Å; V228-F232 HydrophobicContact CG1-CD2 3.65Å; V228-F232 HydrophobicContact CG1-CE2 3.94Å; V228-F232 WeakPolarHBondContact O-CD2 3.46Å; V228-F232 PolarHBondContact O-N 3.33Å
229	C	88.9	Confident	84.5	Confident	19 Å²	19	60.1 Å²	60.1	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-46.8	176.1	-77.6	0	0	0	0	112.3	Y105 W225 P226 H231 G233 V234	Y105-C229 VanDerWaalsContact CD1-SG 3.58Å; W225-C229 PolarHBondContact O-N 2.99Å; P226-C229 WeakPolarHBondContact O-CB 3.39Å; P226-C229 PolarHBondContact O-N 3.2Å; C229-H231 PolarHBondContact O-N 2.98Å; C229-G233 WeakPolarHBondContact O-CA 3.27Å; C229-G233 PolarHBondContact O-N 2.96Å; C229-V234 WeakPolarHBondContact CA-O 3.39Å; C229-V234 HydrophobicContact CB-CG2 4.37Å; C229-V234 WeakPolarHBondContact CB-O 3.37Å; C229-V234 PolarHBondContact O-N 3.25Å; C229-V234 PolarHBondContact SG-O 3.39Å; C229-V234 VanDerWaalsContact SG-O 3.37Å
230	E	89	Confident	83.1	Confident	171 Å²	171	65.9 Å²	65.9	80%	0.799	38%	0.376	S	S	*	.	H	α-helix	trans	-62.5	-41.8	176.8	-175	176.1	-174.7	0	0	111.8	P226 A227	P226-E230 PolarHBondContact O-N 3.29Å; A227-E230 PolarHBondContact O-N 3.03Å
231	H	89.6	Confident	81.4	Confident	70 Å²	70	68 Å²	68	32%	0.324	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-46.6	-178.2	-167.3	105	0	0	0	113.4	K199 A227 V228 C229	K199-H231 PolarHBondContact NZ-CE1 3.31Å; A227-H231 WeakPolarHBondContact O-CB 3.18Å; A227-H231 PolarHBondContact O-N 3.05Å; V228-H231 PolarHBondContact O-N 3.01Å; C229-H231 PolarHBondContact O-N 2.98Å
232	F	90.1	Very high	80.2	Confident	24 Å²	24	68 Å²	68	11%	0.105	40%	0.4	C	S	.	.	H	α-helix	trans	-92.8	-3.1	-177	-66.3	-65.3	0	0	0	113.3	N130 L132 N168 V228 V234	N130-F232 HydrophobicContact CB-CD1 3.63Å; N130-F232 HydrophobicContact CB-CE1 4.06Å; N130-F232 HydrophobicContact CB-CG 4.18Å; N130-F232 WeakPolarHBondContact OD1-CD1 3.34Å; L132-F232 HydrophobicContact CB-CE2 4.19Å; L132-F232 HydrophobicContact CB-CZ 4.21Å; L132-F232 HydrophobicContact CD2-CE2 4.42Å; N168-F232 HydrophobicContact CB-CZ 4.33Å; V228-F232 HydrophobicContact CG1-CD2 3.65Å; V228-F232 HydrophobicContact CG1-CE2 3.94Å; V228-F232 WeakPolarHBondContact O-CD2 3.46Å; V228-F232 PolarHBondContact O-N 3.33Å; F232-V234 VanDerWaalsContact C-N 3.31Å; F232-V234 HydrophobicContact CB-CG1 4.22Å; F232-V234 HydrophobicContact CB-CG2 4.34Å; F232-V234 PolarHBondContact O-N 2.9Å
233	G	87.1	Confident	79.7	Confident	68 Å²	68	66.2 Å²	66.2	70%	0.701	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	34	-177.7	0	0	0	0	0	113.2	C229	C229-G233 WeakPolarHBondContact O-CA 3.27Å; C229-G233 PolarHBondContact O-N 2.96Å
234	V	84.9	Confident	79.5	Confident	35 Å²	35	63.6 Å²	63.6	21%	0.212	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-103.6	138.7	179.4	-62.9	0	0	0	0	110.9	M107 C229 F232	M107-V234 HydrophobicContact CE-CG2 4.14Å; M107-V234 HydrophobicContact CG-CG2 4.41Å; M107-V234 HydrophobicContact SD-CG2 4.11Å; C229-V234 WeakPolarHBondContact CA-O 3.39Å; C229-V234 HydrophobicContact CB-CG2 4.37Å; C229-V234 WeakPolarHBondContact CB-O 3.37Å; C229-V234 PolarHBondContact O-N 3.25Å; C229-V234 PolarHBondContact SG-O 3.39Å; C229-V234 VanDerWaalsContact SG-O 3.37Å; F232-V234 VanDerWaalsContact C-N 3.31Å; F232-V234 HydrophobicContact CB-CG1 4.22Å; F232-V234 HydrophobicContact CB-CG2 4.34Å; F232-V234 PolarHBondContact O-N 2.9Å
235	E	78.6	Confident	79.2	Confident	174 Å²	174	66.8 Å²	66.8	81%	0.813	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-96.1	146.4	177.1	-66.7	-173.1	169.8	0	0	111.4	S237	E235-S237 PolarHBondContact O-N 2.59Å
236	A	76.1	Confident	79.2	Confident	63 Å²	63	67 Å²	67	52%	0.521	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.9	127.5	174	0	0	0	0	0	110	Y105 G238	Y105-A236 HydrophobicContact CD1-CB 3.9Å; Y105-A236 HydrophobicContact CE1-CB 4.14Å; A236-G238 PolarHBondContact O-N 3.49Å
237	S	66.5	Low	79.6	Confident	64 Å²	64	69.1 Å²	69.1	45%	0.448	40%	0.397	S	S	.	.			trans	-72.4	-9.3	-176.2	-47.5	0	0	0	0	112.9	R104 G106 E235 D239	R104-S237 PolarHBondContact O-N 2.85Å; G106-S237 WeakPolarHBondContact CA-OG 3.34Å; G106-S237 PolarHBondContact N-OG 3.1Å; E235-S237 PolarHBondContact O-N 2.59Å; S237-D239 PolarHBondContact O-N 3.11Å; S237-D239 VanDerWaalsContact O-N 3.13Å
238	G	56.5	Low	79.9	Confident	64 Å²	64	70.6 Å²	70.6	66%	0.66	40%	0.402	S	S	*	.			trans	74.2	-5.4	172.9	0	0	0	0	0	115.8	A236 E240	A236-G238 PolarHBondContact O-N 3.49Å; G238-E240 PolarHBondContact O-N 2.71Å
239	D	57.7	Low	80.2	Confident	113 Å²	113	75.9 Å²	75.9	60%	0.604	43%	0.425	S	S	*	.			trans	-76.6	89.6	-179.3	-75.9	-29.3	0	0	0	111.9	S237 S241	S237-D239 PolarHBondContact O-N 3.11Å; S237-D239 VanDerWaalsContact O-N 3.13Å; D239-S241 PolarHBondContact O-N 2.82Å
240	E	58.9	Low	80.6	Confident	154 Å²	154	78.7 Å²	78.7	72%	0.72	44%	0.441	S	S	*	.			trans	-73.9	38.8	165.8	-69.2	-161.4	154	0	0	112.6	G238	G238-E240 PolarHBondContact O-N 2.71Å
241	S	59.3	Low	81	Confident	62 Å²	62	72.6 Å²	72.6	43%	0.434	41%	0.413	S	S	.	.			trans	-75	138.3	174.9	63.3	0	0	0	0	110.5	D239 I243	D239-S241 PolarHBondContact O-N 2.82Å; S241-I243 PolarHBondContact O-N 2.92Å
242	S	65.9	Low	81.1	Confident	45 Å²	45	75 Å²	75	32%	0.315	43%	0.432	S	S	.	.			trans	-69.2	97.4	170	-178	0	0	0	0	107.8	E389 Q392	S242-E389 WeakPolarHBondContact CB-OE2 3.43Å; S242-E389 PolarHBondContact OG-OE2 3.07Å; S242-Q392 PolarHBondContact OG-NE2 2.96Å
243	I	77.4	Confident	81	Confident	46 Å²	46	81.3 Å²	81.3	24%	0.236	47%	0.467	C	S	.	.			trans	-87.7	112.6	178.6	-58.4	170.6	0	0	0	107.3	K100 Q103 S241	K100-I243 WeakPolarHBondContact CE-O 3.36Å; K100-I243 PolarHBondContact NZ-O 3.24Å; Q103-I243 HydrophobicContact CG-CD1 4.42Å; S241-I243 PolarHBondContact O-N 2.92Å
244	R	86.9	Confident	81.2	Confident	68 Å²	68	80 Å²	80	26%	0.257	45%	0.445	S	S	.	.			trans	-68.7	146	168.7	-66.1	-168	65.3	176.2	2.8	109.8	Y246 L352 D443 E447	R244-Y246 PolarHBondContact NE-O 3.25Å; R244-Y246 PolarHBondContact NH2-O 3.28Å; R244-L352 VanDerWaalsContact O-CD1 3.29Å; R244-L352 WeakPolarHBondContact O-CD1 3.5Å; R244-D443 IonicContact CZ-OD2 2.78Å; R244-D443 IonicContact NH1-OD2 3.7Å; R244-D443 PolarHBondContact NH1-OD2 3.07Å; R244-D443 IonicContact NH2-OD2 3.36Å; R244-D443 PolarHBondContact NH2-OD2 2.75Å; R244-E447 IonicContact CZ-OE2 3.05Å; R244-E447 IonicContact NE-OE2 3.29Å; R244-E447 PolarHBondContact NE-OE2 3.45Å; R244-E447 IonicContact NH2-OE2 2.95Å; R244-E447 PolarHBondContact NH2-OE2 3.41Å
245	Q	86.6	Confident	81.6	Confident	67 Å²	67	82.6 Å²	82.6	31%	0.313	46%	0.458	S	S	.	.	S	Bend	trans	-91	-27.5	171.7	-174.5	175.5	22.8	0	0	111.3	N351 L352 E447	Q245-N351 PolarHBondContact O-OD1 3.49Å; Q245-L352 PolarHBondContact O-N 3.09Å; Q245-E447 WeakPolarHBondContact CA-OE1 3.42Å; Q245-E447 PolarHBondContact N-OE1 3.24Å
246	Y	93.2	Very high	82.2	Confident	5 Å²	5	79.4 Å²	79.4	2%	0.02	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.4	-176.6	-56.4	-92.5	0	0	0	112.8	R244 L349 N350 N351 P361 E447	R244-Y246 PolarHBondContact NE-O 3.25Å; R244-Y246 PolarHBondContact NH2-O 3.28Å; Y246-L349 HydrophobicContact CD1-CB 4.39Å; Y246-L349 HydrophobicContact CG-CB 4.28Å; Y246-N350 CarbonylContact C-O 3.52Å; Y246-N350 VanDerWaalsContact CA-O 3.23Å; Y246-N350 WeakPolarHBondContact CA-O 3.45Å; Y246-N351 HydrophobicContact CD1-CB 3.95Å; Y246-N351 HydrophobicContact CE1-CB 3.77Å; Y246-P361 HydrophobicContact CD1-CG 4.37Å; Y246-P361 HydrophobicContact CD2-CG 4.5Å; Y246-P361 HydrophobicContact CE1-CB 4.37Å; Y246-P361 VanDerWaalsContact CE1-CD 3.47Å; Y246-P361 HydrophobicContact CE1-CG 4.31Å; Y246-P361 HydrophobicContact CE2-CB 4.1Å; Y246-P361 HydrophobicContact CE2-CG 4.43Å; Y246-P361 HydrophobicContact CG-CG 4.47Å; Y246-E447 HydrophobicContact CD2-CB 4.41Å; Y246-E447 HydrophobicContact CD2-CG 3.78Å; Y246-E447 HydrophobicContact CE2-CG 4.45Å; Y246-E447 PolarHBondContact N-OE1 3.03Å
247	E	96	Very high	83	Confident	117 Å²	117	81.8 Å²	81.8	55%	0.547	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.6	169.8	-173.3	-176.3	-163.3	0	0	110.4	L349 N350 L352	E247-L349 WeakPolarHBondContact O-CA 3.5Å; E247-N350 PolarHBondContact N-O 3.13Å; E247-N350 PolarHBondContact O-N 2.96Å; E247-L352 HydrophobicContact CB-CD2 3.87Å; E247-L352 HydrophobicContact CB-CG 4.46Å
248	L	97.8	Very high	84.4	Confident	54 Å²	54	85.4 Å²	85.4	28%	0.283	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.6	172.5	174.3	64.6	0	0	0	111	V250 I347 L349 D443	L248-V250 HydrophobicContact CD1-CG2 4.26Å; L248-V250 HydrophobicContact CD2-CG2 4.07Å; L248-V250 HydrophobicContact CG-CG2 4.09Å; L248-I347 HydrophobicContact CD1-CB 3.85Å; L248-I347 HydrophobicContact CD1-CD1 4.21Å; L248-I347 HydrophobicContact CD1-CG2 3.86Å; L248-L349 HydrophobicContact CB-CD2 4.31Å; L248-L349 HydrophobicContact CD1-CD2 4.21Å; L248-D443 HydrophobicContact CB-CB 4.37Å; L248-D443 HydrophobicContact CD1-CB 3.93Å; L248-D443 HydrophobicContact CD2-CB 3.96Å; L248-D443 HydrophobicContact CG-CB 4.3Å
249	K	97.6	Very high	86.3	Confident	110 Å²	110	82.4 Å²	82.4	48%	0.478	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.6	165.9	-179.5	175.4	-178.8	171.8	0	110.2	H251 I347 S348	K249-H251 PolarHBondContact O-CD2 2.87Å; K249-I347 CarbonylContact O-C 3.51Å; K249-I347 WeakPolarHBondContact O-CA 3.47Å; K249-S348 PolarHBondContact N-O 3.33Å; K249-S348 PolarHBondContact O-N 3.06Å
250	V	97.7	Very high	88.3	Confident	78 Å²	78	79 Å²	79	47%	0.473	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.4	173.2	-177.6	0	0	0	0	109.6	L248 V345 I347	L248-V250 HydrophobicContact CD1-CG2 4.26Å; L248-V250 HydrophobicContact CD2-CG2 4.07Å; L248-V250 HydrophobicContact CG-CG2 4.09Å; V250-V345 HydrophobicContact CG1-CG1 3.7Å; V250-I347 HydrophobicContact CG2-CG2 4.24Å
251	H	96.2	Very high	90.1	Very high	44 Å²	44	75 Å²	75	20%	0.204	39%	0.39	C	S	.	.			trans	-110.8	115.2	178.6	-54.2	-99	0	0	0	110.2	K249 V254 V346 S348	K249-H251 PolarHBondContact O-CD2 2.87Å; H251-V254 HydrophobicContact CB-CB 3.97Å; H251-V254 HydrophobicContact CB-CG1 4.18Å; H251-V346 HydrophobicContact CB-CB 4.49Å; H251-V346 HydrophobicContact CB-CG1 4.38Å; H251-V346 PolarHBondContact N-O 3.02Å; H251-S348 PolarHBondContact NE2-OG 2.94Å
252	T	91.3	Very high	91.9	Very high	120 Å²	120	72.1 Å²	72.1	74%	0.736	37%	0.37	S	S	*	.	S	Bend	trans	-88	-34.2	178.8	53.6	0	0	0	0	113.1
253	D	88.4	Confident	93.3	Very high	157 Å²	157	70 Å²	70	84%	0.84	36%	0.356	S	S	*	.	S	Bend	trans	-126.5	60.3	-173.4	-60.6	-66.4	0	0	0	111.2
254	V	90.8	Very high	94	Very high	40 Å²	40	69.3 Å²	69.3	24%	0.242	35%	0.352	C	S	.	.			trans	-99.6	138.4	-179.6	69.5	0	0	0	0	111.7	H251 M256 V259 V346	H251-V254 HydrophobicContact CB-CB 3.97Å; H251-V254 HydrophobicContact CB-CG1 4.18Å; V254-M256 HydrophobicContact CG1-SD 4.4Å; V254-M256 PolarHBondContact O-N 2.77Å; V254-V259 HydrophobicContact CG1-CG2 3.77Å; V254-V259 HydrophobicContact CG2-CG2 3.95Å; V254-V346 HydrophobicContact CG1-CB 4.09Å; V254-V346 HydrophobicContact CG1-CG1 3.9Å; V254-V346 HydrophobicContact CG1-CG2 4.13Å
255	N	93.1	Very high	94.2	Very high	90 Å²	90	67.4 Å²	67.4	48%	0.481	35%	0.353	S	S	.	.			trans	-67.4	116	168.5	-177.5	-22.7	0	0	0	109.2	N257 K258	N255-N257 PolarHBondContact O-N 3.46Å; N255-N257 VanDerWaalsContact OD1-CB 3.3Å; N255-N257 WeakPolarHBondContact OD1-CB 3.3Å; N255-N257 PolarHBondContact OD1-N 2.87Å; N255-K258 HydrophobicContact CB-CG 4.47Å; N255-K258 WeakPolarHBondContact O-CA 3.39Å; N255-K258 WeakPolarHBondContact O-CB 3.44Å; N255-K258 PolarHBondContact O-N 2.78Å
256	M	92.5	Very high	94.6	Very high	107 Å²	107	71 Å²	71	53%	0.527	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-58	-21	-179	-65.6	-54.8	-64.8	0	0	114.2	V254 K258 V259 V346	V254-M256 HydrophobicContact CG1-SD 4.4Å; V254-M256 PolarHBondContact O-N 2.77Å; M256-K258 PolarHBondContact O-N 3.12Å; M256-V259 HydrophobicContact CE-CB 4.35Å; M256-V259 HydrophobicContact CE-CG1 4.41Å; M256-V259 HydrophobicContact CE-CG2 4.41Å; M256-V259 PolarHBondContact O-N 3.21Å; M256-V259 HydrophobicContact SD-CG2 4.1Å; M256-V346 HydrophobicContact SD-CG2 4.38Å
257	N	93	Very high	94.7	Very high	113 Å²	113	73 Å²	73	60%	0.604	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.7	172.6	-65.9	-22.5	0	0	0	113.1	N255 K268	N255-N257 PolarHBondContact O-N 3.46Å; N255-N257 VanDerWaalsContact OD1-CB 3.3Å; N255-N257 WeakPolarHBondContact OD1-CB 3.3Å; N255-N257 PolarHBondContact OD1-N 2.87Å; N257-K268 WeakPolarHBondContact O-CE 3.27Å
258	K	95.3	Very high	94.7	Very high	139 Å²	139	69.3 Å²	69.3	60%	0.604	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-97.5	3.5	176	-63.4	-172.4	176.7	-178.2	0	113.4	N255 M256 P365	N255-K258 HydrophobicContact CB-CG 4.47Å; N255-K258 WeakPolarHBondContact O-CA 3.39Å; N255-K258 WeakPolarHBondContact O-CB 3.44Å; N255-K258 PolarHBondContact O-N 2.78Å; M256-K258 PolarHBondContact O-N 3.12Å; K258-P365 WeakPolarHBondContact O-CG 3.37Å
259	V	97.6	Very high	94.6	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	34%	0.344	C	S	.	.	S	Bend	trans	-102.1	130.8	-177.1	-176.1	0	0	0	0	109.2	V254 M256 V346	V254-V259 HydrophobicContact CG1-CG2 3.77Å; V254-V259 HydrophobicContact CG2-CG2 3.95Å; M256-V259 HydrophobicContact CE-CB 4.35Å; M256-V259 HydrophobicContact CE-CG1 4.41Å; M256-V259 HydrophobicContact CE-CG2 4.41Å; M256-V259 PolarHBondContact O-N 3.21Å; M256-V259 HydrophobicContact SD-CG2 4.1Å; V259-V346 HydrophobicContact CG1-CG1 3.98Å; V259-V346 HydrophobicContact CG1-CG2 4.41Å; V259-V346 HydrophobicContact CG2-CG1 3.98Å
260	Y	98.2	Very high	94.5	Very high	43 Å²	43	63.5 Å²	63.5	17%	0.169	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-70.3	140.3	174.2	-75.9	-92.9	0	0	0	110.6	E263 G265 L267 P363 C364 P365 T366	Y260-E263 HydrophobicContact CD1-CB 4.32Å; Y260-G265 WeakPolarHBondContact CE1-O 3.48Å; Y260-L267 HydrophobicContact CD1-CB 4.5Å; Y260-L267 HydrophobicContact CD1-CD1 3.93Å; Y260-L267 HydrophobicContact CD2-CD1 3.86Å; Y260-L267 VanDerWaalsContact CE1-CA 3.49Å; Y260-L267 HydrophobicContact CE1-CB 3.84Å; Y260-L267 HydrophobicContact CE1-CD1 4.1Å; Y260-L267 HydrophobicContact CE2-CB 4.24Å; Y260-L267 HydrophobicContact CE2-CD1 4.03Å; Y260-L267 HydrophobicContact CG-CD1 3.81Å; Y260-L267 PolarHBondContact OH-N 2.73Å; Y260-P363 HydrophobicContact CD1-CB 3.5Å; Y260-P363 HydrophobicContact CD2-CB 4.11Å; Y260-P363 HydrophobicContact CE1-CB 3.78Å; Y260-P363 HydrophobicContact CE2-CB 4.35Å; Y260-P363 HydrophobicContact CG-CB 3.68Å; Y260-C364 WeakPolarHBondContact CD2-O 3.42Å; Y260-C364 WeakPolarHBondContact CE2-O 3.48Å; Y260-P365 PolarHBondContact N-O 3.36Å; Y260-T366 PolarHBondContact O-OG1 2.81Å
261	T	97.3	Very high	94.2	Very high	69 Å²	69	65.8 Å²	65.8	42%	0.423	34%	0.335	S	S	.	.	S	Bend	trans	-125.6	14.6	-172.8	52.7	0	0	0	0	113.1	E263 T370	T261-E263 WeakPolarHBondContact CA-OE2 3.24Å; T261-E263 PolarHBondContact N-OE2 3.02Å; T261-E263 PolarHBondContact OG1-OE2 2.85Å; T261-T370 VanDerWaalsContact C-CG2 3.48Å
262	G	96.3	Very high	94.1	Very high	2 Å²	2	67.4 Å²	67.4	2%	0.021	35%	0.348	C	S	.	.	S	Bend	trans	127.7	-6.5	179.4	0	0	0	0	0	114.1	F270 Y375	G262-F270 WeakPolarHBondContact O-CE2 3.27Å; G262-Y375 VanDerWaalsContact C-OH 3.26Å; G262-Y375 VanDerWaalsContact CA-OH 3.26Å; G262-Y375 WeakPolarHBondContact CA-OH 3.05Å; G262-Y375 PolarHBondContact N-OH 3.42Å
263	E	96.3	Very high	94.3	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.324	C	S	.	.			trans	-61.5	144.3	174.9	-53.9	99.9	123.8	0	0	111.6	Y260 T261 K268 F270 Y375	Y260-E263 HydrophobicContact CD1-CB 4.32Å; T261-E263 WeakPolarHBondContact CA-OE2 3.24Å; T261-E263 PolarHBondContact N-OE2 3.02Å; T261-E263 PolarHBondContact OG1-OE2 2.85Å; E263-K268 WeakPolarHBondContact OE1-CA 3.39Å; E263-K268 PolarHBondContact OE1-N 2.77Å; E263-F270 HydrophobicContact CB-CD1 4.21Å; E263-F270 HydrophobicContact CB-CE1 4.45Å; E263-F270 HydrophobicContact CB-CG 4.3Å; E263-F270 HydrophobicContact CG-CB 3.69Å; E263-F270 HydrophobicContact CG-CD1 3.98Å; E263-F270 HydrophobicContact CG-CD2 4.12Å; E263-F270 HydrophobicContact CG-CG 3.67Å; E263-Y375 PolarHBondContact N-OH 2.96Å; E263-Y375 VanDerWaalsContact O-CE1 3.3Å; E263-Y375 WeakPolarHBondContact O-CE1 3.35Å; E263-Y375 PolarHBondContact O-OH 3Å
264	I	92.7	Very high	94.6	Very high	31 Å²	31	62.4 Å²	62.4	16%	0.159	31%	0.309	C	S	.	.	S	Bend	trans	-84.6	-49.5	-175	-53.4	-56.7	0	0	0	112.3	F270 P282 F324 P363	I264-F270 HydrophobicContact CG1-CZ 4.17Å; I264-P282 HydrophobicContact CG1-CG 4.03Å; I264-F324 HydrophobicContact CD1-CD1 3.89Å; I264-F324 HydrophobicContact CD1-CE1 4.18Å; I264-F324 HydrophobicContact CD1-CG 4.16Å; I264-F324 HydrophobicContact CG1-CD1 4.25Å; I264-F324 HydrophobicContact CG1-CD2 4.3Å; I264-F324 HydrophobicContact CG1-CE1 4.28Å; I264-F324 HydrophobicContact CG1-CE2 4.31Å; I264-F324 HydrophobicContact CG1-CG 4.25Å; I264-F324 HydrophobicContact CG1-CZ 4.31Å; I264-F324 HydrophobicContact CG2-CE1 4.47Å; I264-F324 HydrophobicContact CG2-CZ 4.36Å; I264-P363 WeakPolarHBondContact O-CG 3.24Å
265	G	91.3	Very high	94.8	Very high	28 Å²	28	63.6 Å²	63.6	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-104.2	-105.4	-178.1	0	0	0	0	0	112.1	Y260 K280	Y260-G265 WeakPolarHBondContact CE1-O 3.48Å; G265-K280 VanDerWaalsContact CA-O 3.3Å; G265-K280 WeakPolarHBondContact CA-O 3.34Å; G265-K280 PolarHBondContact N-O 3.31Å
266	R	94.1	Very high	94.9	Very high	143 Å²	143	64.2 Å²	64.2	54%	0.54	33%	0.327	S	S	.	.	S	Bend	trans	-69.3	137.3	-176.5	-170.9	-179.3	67.3	-149	-7	111.6	S269	R266-S269 WeakPolarHBondContact O-CB 3.17Å; R266-S269 PolarHBondContact O-N 3.28Å; R266-S269 PolarHBondContact O-OG 3.37Å
267	L	95.7	Very high	95.1	Very high	47 Å²	47	60.6 Å²	60.6	25%	0.246	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	136.7	169.3	-175.6	68.5	0	0	0	111.7	Y260 S269	Y260-L267 HydrophobicContact CD1-CB 4.5Å; Y260-L267 HydrophobicContact CD1-CD1 3.93Å; Y260-L267 HydrophobicContact CD2-CD1 3.86Å; Y260-L267 VanDerWaalsContact CE1-CA 3.49Å; Y260-L267 HydrophobicContact CE1-CB 3.84Å; Y260-L267 HydrophobicContact CE1-CD1 4.1Å; Y260-L267 HydrophobicContact CE2-CB 4.24Å; Y260-L267 HydrophobicContact CE2-CD1 4.03Å; Y260-L267 HydrophobicContact CG-CD1 3.81Å; Y260-L267 PolarHBondContact OH-N 2.73Å; L267-S269 PolarHBondContact O-N 3.02Å
268	K	95.4	Very high	95.1	Very high	39 Å²	39	58.3 Å²	58.3	17%	0.17	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	15.4	-176.2	-55.1	-41.3	-163.5	167	0	115.1	N257 E263 F270 E271 V272	N257-K268 WeakPolarHBondContact O-CE 3.27Å; E263-K268 WeakPolarHBondContact OE1-CA 3.39Å; E263-K268 PolarHBondContact OE1-N 2.77Å; K268-F270 PolarHBondContact O-N 2.89Å; K268-E271 HydrophobicContact CB-CB 4.49Å; K268-E271 WeakPolarHBondContact CD-OE1 3.47Å; K268-E271 WeakPolarHBondContact CE-OE1 3.36Å; K268-E271 IonicContact NZ-OE1 3.9Å; K268-E271 PolarHBondContact NZ-OE1 3.45Å; K268-E271 PolarHBondContact O-N 3.01Å; K268-E271 VanDerWaalsContact O-N 3.14Å; K268-V272 PolarHBondContact O-N 3.5Å
269	S	95.7	Very high	94.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.4	176.3	59.4	0	0	0	0	112.7	R266 L267 V272 Q273	R266-S269 WeakPolarHBondContact O-CB 3.17Å; R266-S269 PolarHBondContact O-N 3.28Å; R266-S269 PolarHBondContact O-OG 3.37Å; L267-S269 PolarHBondContact O-N 3.02Å; S269-V272 CarbonylContact O-C 3.51Å; S269-V272 VanDerWaalsContact O-C 3.32Å; S269-Q273 PolarHBondContact O-N 3.03Å; S269-Q273 PolarHBondContact O-NE2 3.27Å
270	F	94.8	Very high	94.4	Very high	42 Å²	42	60.5 Å²	60.5	18%	0.184	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.9	176.9	-77.8	15.9	0	0	0	112.9	G262 E263 I264 K268 P282 L284 P508	G262-F270 WeakPolarHBondContact O-CE2 3.27Å; E263-F270 HydrophobicContact CB-CD1 4.21Å; E263-F270 HydrophobicContact CB-CE1 4.45Å; E263-F270 HydrophobicContact CB-CG 4.3Å; E263-F270 HydrophobicContact CG-CB 3.69Å; E263-F270 HydrophobicContact CG-CD1 3.98Å; E263-F270 HydrophobicContact CG-CD2 4.12Å; E263-F270 HydrophobicContact CG-CG 3.67Å; I264-F270 HydrophobicContact CG1-CZ 4.17Å; K268-F270 PolarHBondContact O-N 2.89Å; F270-P282 HydrophobicContact CE1-CG 3.71Å; F270-P282 HydrophobicContact CZ-CG 4.05Å; F270-L284 HydrophobicContact CB-CD1 3.81Å; F270-L284 HydrophobicContact CD1-CD2 4.18Å; F270-L284 HydrophobicContact CD1-CG 4.47Å; F270-L284 HydrophobicContact CD2-CD1 4.43Å; F270-L284 HydrophobicContact CD2-CD2 4.06Å; F270-L284 HydrophobicContact CE1-CD2 4.32Å; F270-L284 HydrophobicContact CE2-CD2 4.18Å; F270-L284 HydrophobicContact CG-CD1 4.05Å; F270-L284 HydrophobicContact CG-CD2 4.06Å; F270-L284 HydrophobicContact CG-CG 4.34Å; F270-L284 HydrophobicContact CZ-CD2 4.31Å; F270-L284 WeakPolarHBondContact O-CD1 3.42Å; F270-P508 HydrophobicContact CE1-CB 4.47Å; F270-P508 HydrophobicContact CE2-CB 4.31Å; F270-P508 HydrophobicContact CE2-CG 3.94Å; F270-P508 HydrophobicContact CZ-CB 3.84Å; F270-P508 HydrophobicContact CZ-CG 3.98Å
271	E	93	Very high	94.3	Very high	125 Å²	125	59.8 Å²	59.8	58%	0.584	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-42	173.8	-64.5	176.3	-159.7	0	0	111.3	K268	K268-E271 HydrophobicContact CB-CB 4.49Å; K268-E271 WeakPolarHBondContact CD-OE1 3.47Å; K268-E271 WeakPolarHBondContact CE-OE1 3.36Å; K268-E271 IonicContact NZ-OE1 3.9Å; K268-E271 PolarHBondContact NZ-OE1 3.45Å; K268-E271 PolarHBondContact O-N 3.01Å; K268-E271 VanDerWaalsContact O-N 3.14Å
272	V	94.1	Very high	94.3	Very high	78 Å²	78	56.5 Å²	56.5	47%	0.473	29%	0.291	S	S	.	.	S	Bend	trans	-115.8	81.8	-178.5	-172.2	0	0	0	0	109.7	K268 S269 K274	K268-V272 PolarHBondContact O-N 3.5Å; S269-V272 CarbonylContact O-C 3.51Å; S269-V272 VanDerWaalsContact O-C 3.32Å; V272-K274 HydrophobicContact CG1-CG 4.46Å; V272-K274 PolarHBondContact O-N 2.95Å
273	Q	95.1	Very high	94.4	Very high	50 Å²	50	57.5 Å²	57.5	23%	0.234	30%	0.295	C	S	.	.			trans	-73.3	122.7	179.5	-70.3	-87.1	-74.8	0	0	110.7	S269 F277 P282 F283	S269-Q273 PolarHBondContact O-N 3.03Å; S269-Q273 PolarHBondContact O-NE2 3.27Å; Q273-F277 HydrophobicContact CB-CE1 4.05Å; Q273-F277 HydrophobicContact CB-CZ 4.12Å; Q273-P282 PolarHBondContact NE2-O 2.89Å; Q273-P282 PolarHBondContact OE1-O 3.18Å; Q273-F283 VanDerWaalsContact OE1-CA 3.23Å
274	K	94.9	Very high	94.5	Very high	123 Å²	123	58.9 Å²	58.9	54%	0.535	30%	0.302	S	S	.	.			trans	-134.2	130.4	176	-67.2	-175.5	179.3	-179.1	0	109.3	V272 N281	V272-K274 HydrophobicContact CG1-CG 4.46Å; V272-K274 PolarHBondContact O-N 2.95Å; K274-N281 PolarHBondContact O-ND2 3.32Å
275	P	94.3	Very high	94.7	Very high	65 Å²	65	57.4 Å²	57.4	42%	0.422	29%	0.294	S	S	.	.	S	Bend	trans	-68.4	161.4	173.8	29.4	-34.7	0	0	0	111.3	F277 K312	P275-F277 HydrophobicContact CB-CD2 4.07Å; P275-F277 HydrophobicContact CB-CE2 3.8Å; P275-F277 HydrophobicContact CB-CZ 4.43Å; P275-K312 HydrophobicContact CG-CD 4.49Å
276	P	95.3	Very high	95	Very high	103 Å²	103	58.6 Å²	58.6	67%	0.669	30%	0.297	S	S	*	.			cis	-71.5	156.1	-0.8	31.3	-35.5	0	0	0	112.8	N281	P276-N281 PolarHBondContact O-ND2 3.22Å
277	F	96.8	Very high	95.1	Very high	30 Å²	30	51.9 Å²	51.9	13%	0.132	27%	0.272	C	S	.	.			trans	-109.9	129.8	177.5	-59.9	-74.7	0	0	0	110.2	Q273 P275 N281 F283 S311 I313	Q273-F277 HydrophobicContact CB-CE1 4.05Å; Q273-F277 HydrophobicContact CB-CZ 4.12Å; P275-F277 HydrophobicContact CB-CD2 4.07Å; P275-F277 HydrophobicContact CB-CE2 3.8Å; P275-F277 HydrophobicContact CB-CZ 4.43Å; F277-N281 CarbonylContact C-O 3.59Å; F277-N281 WeakPolarHBondContact CA-O 3.49Å; F277-N281 WeakPolarHBondContact CB-O 3.41Å; F277-N281 WeakPolarHBondContact CD1-O 3.34Å; F277-F283 HydrophobicContact CB-CB 4Å; F277-F283 HydrophobicContact CD1-CB 3.82Å; F277-F283 HydrophobicContact CD1-CD2 4.23Å; F277-F283 HydrophobicContact CD2-CB 4.02Å; F277-F283 HydrophobicContact CD2-CD2 4Å; F277-F283 HydrophobicContact CD2-CG 4.32Å; F277-F283 HydrophobicContact CE1-CB 4.29Å; F277-F283 AromaticContact CE1-CD2 3.87Å; F277-F283 HydrophobicContact CE1-CD2 3.87Å; F277-F283 HydrophobicContact CE2-CB 4.47Å; F277-F283 AromaticContact CE2-CD2 3.62Å; F277-F283 HydrophobicContact CE2-CD2 3.62Å; F277-F283 HydrophobicContact CE2-CE2 4.3Å; F277-F283 HydrophobicContact CE2-CG 4.37Å; F277-F283 HydrophobicContact CG-CB 3.67Å; F277-F283 HydrophobicContact CG-CD2 4.31Å; F277-F283 HydrophobicContact CG-CG 4.41Å; F277-F283 AromaticContact CZ-CD2 3.55Å; F277-F283 HydrophobicContact CZ-CD2 3.55Å; F277-F283 HydrophobicContact CZ-CE2 4.24Å; F277-S311 WeakPolarHBondContact CD2-O 3.37Å; F277-S311 VanDerWaalsContact CE2-O 3.31Å; F277-S311 WeakPolarHBondContact CE2-O 3.29Å; F277-I313 HydrophobicContact CB-CD1 4.18Å; F277-I313 HydrophobicContact CB-CG1 4.35Å; F277-I313 HydrophobicContact CD2-CD1 4.33Å; F277-I313 HydrophobicContact CD2-CG1 4.23Å
278	D	92.7	Very high	95.1	Very high	66 Å²	66	51.6 Å²	51.6	35%	0.353	27%	0.272	S	S	.	.	S	Bend	trans	-152.8	-167.7	-172.3	57.8	39.3	0	0	0	110.3	K280 N281 P282	D278-K280 VanDerWaalsContact C-N 3.26Å; D278-K280 PolarHBondContact O-N 3.27Å; D278-K280 WeakPolarHBondContact OD1-CA 3.45Å; D278-K280 PolarHBondContact OD1-N 2.67Å; D278-N281 PolarHBondContact N-O 3.35Å; D278-N281 CarbonylContact O-C 3.58Å; D278-N281 PolarHBondContact O-N 3.46Å; D278-N281 PolarHBondContact OD1-N 2.71Å; D278-P282 WeakPolarHBondContact O-CA 3.27Å
279	S	89.7	Confident	95.2	Very high	52 Å²	52	51.6 Å²	51.6	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-63	-27.9	179.6	58.5	0	0	0	0	113.9	F324	S279-F324 WeakPolarHBondContact O-CZ 3.5Å
280	K	89.8	Confident	95.2	Very high	134 Å²	134	53.3 Å²	53.3	58%	0.583	28%	0.284	S	S	*	.	S	Bend	trans	-91.6	-21.2	179.8	-62.2	178.9	-177.6	170	0	111.6	G265 D278	G265-K280 VanDerWaalsContact CA-O 3.3Å; G265-K280 WeakPolarHBondContact CA-O 3.34Å; G265-K280 PolarHBondContact N-O 3.31Å; D278-K280 VanDerWaalsContact C-N 3.26Å; D278-K280 PolarHBondContact O-N 3.27Å; D278-K280 WeakPolarHBondContact OD1-CA 3.45Å; D278-K280 PolarHBondContact OD1-N 2.67Å
281	N	96	Very high	95.3	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.15	29%	0.292	C	S	.	.	S	Bend	trans	-137.9	76.1	178	-178.5	44.1	0	0	0	110.8	K274 P276 F277 D278	K274-N281 PolarHBondContact O-ND2 3.32Å; P276-N281 PolarHBondContact O-ND2 3.22Å; F277-N281 CarbonylContact C-O 3.59Å; F277-N281 WeakPolarHBondContact CA-O 3.49Å; F277-N281 WeakPolarHBondContact CB-O 3.41Å; F277-N281 WeakPolarHBondContact CD1-O 3.34Å; D278-N281 PolarHBondContact N-O 3.35Å; D278-N281 CarbonylContact O-C 3.58Å; D278-N281 PolarHBondContact O-N 3.46Å; D278-N281 PolarHBondContact OD1-N 2.71Å
282	P	97.3	Very high	95.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.			trans	-71.9	151.1	-177.4	29.3	-35.1	0	0	0	111.9	I264 F270 Q273 D278 F324 P508 M509	I264-P282 HydrophobicContact CG1-CG 4.03Å; F270-P282 HydrophobicContact CE1-CG 3.71Å; F270-P282 HydrophobicContact CZ-CG 4.05Å; Q273-P282 PolarHBondContact NE2-O 2.89Å; Q273-P282 PolarHBondContact OE1-O 3.18Å; D278-P282 WeakPolarHBondContact O-CA 3.27Å; P282-F324 HydrophobicContact CB-CD2 3.9Å; P282-F324 HydrophobicContact CB-CE2 3.95Å; P282-F324 HydrophobicContact CG-CD2 3.86Å; P282-F324 HydrophobicContact CG-CE2 3.95Å; P282-P508 HydrophobicContact CB-CB 4.12Å; P282-P508 HydrophobicContact CG-CB 4Å; P282-M509 CarbonylContact C-O 3.54Å; P282-M509 WeakPolarHBondContact CA-O 3.21Å
283	F	98.1	Very high	95.6	Very high	23 Å²	23	51.7 Å²	51.7	10%	0.101	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.3	174.4	-179	-110	0	0	0	111.2	Q273 F277 A285 D307 I308 I313 V507 P508 M509	Q273-F283 VanDerWaalsContact OE1-CA 3.23Å; F277-F283 HydrophobicContact CB-CB 4Å; F277-F283 HydrophobicContact CD1-CB 3.82Å; F277-F283 HydrophobicContact CD1-CD2 4.23Å; F277-F283 HydrophobicContact CD2-CB 4.02Å; F277-F283 HydrophobicContact CD2-CD2 4Å; F277-F283 HydrophobicContact CD2-CG 4.32Å; F277-F283 HydrophobicContact CE1-CB 4.29Å; F277-F283 AromaticContact CE1-CD2 3.87Å; F277-F283 HydrophobicContact CE1-CD2 3.87Å; F277-F283 HydrophobicContact CE2-CB 4.47Å; F277-F283 AromaticContact CE2-CD2 3.62Å; F277-F283 HydrophobicContact CE2-CD2 3.62Å; F277-F283 HydrophobicContact CE2-CE2 4.3Å; F277-F283 HydrophobicContact CE2-CG 4.37Å; F277-F283 HydrophobicContact CG-CB 3.67Å; F277-F283 HydrophobicContact CG-CD2 4.31Å; F277-F283 HydrophobicContact CG-CG 4.41Å; F277-F283 AromaticContact CZ-CD2 3.55Å; F277-F283 HydrophobicContact CZ-CD2 3.55Å; F277-F283 HydrophobicContact CZ-CE2 4.24Å; F283-A285 HydrophobicContact CD1-CB 3.89Å; F283-A285 HydrophobicContact CE1-CB 3.98Å; F283-A285 PolarHBondContact O-N 2.88Å; F283-D307 WeakPolarHBondContact CE1-O 3.41Å; F283-I308 HydrophobicContact CD1-CG2 4.23Å; F283-I308 HydrophobicContact CE1-CB 4.41Å; F283-I308 HydrophobicContact CE1-CG2 4.31Å; F283-I313 HydrophobicContact CB-CD1 3.66Å; F283-I313 HydrophobicContact CD1-CD1 4.23Å; F283-I313 HydrophobicContact CG-CD1 4.07Å; F283-V507 VanDerWaalsContact O-O 3.08Å; F283-P508 CarbonylContact O-C 3.51Å; F283-P508 WeakPolarHBondContact O-CA 3.34Å; F283-M509 HydrophobicContact CB-SD 4.27Å; F283-M509 HydrophobicContact CD1-SD 4.3Å; F283-M509 PolarHBondContact N-O 2.86Å; F283-M509 PolarHBondContact O-N 2.76Å
284	L	97.3	Very high	95.5	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.157	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	85.3	174.7	-64.4	-169.6	0	0	0	111.5	F270 P286 T506 P508	F270-L284 HydrophobicContact CB-CD1 3.81Å; F270-L284 HydrophobicContact CD1-CD2 4.18Å; F270-L284 HydrophobicContact CD1-CG 4.47Å; F270-L284 HydrophobicContact CD2-CD1 4.43Å; F270-L284 HydrophobicContact CD2-CD2 4.06Å; F270-L284 HydrophobicContact CE1-CD2 4.32Å; F270-L284 HydrophobicContact CE2-CD2 4.18Å; F270-L284 HydrophobicContact CG-CD1 4.05Å; F270-L284 HydrophobicContact CG-CD2 4.06Å; F270-L284 HydrophobicContact CG-CG 4.34Å; F270-L284 HydrophobicContact CZ-CD2 4.31Å; F270-L284 WeakPolarHBondContact O-CD1 3.42Å; L284-P286 WeakPolarHBondContact O-CD 3.36Å; L284-T506 HydrophobicContact CB-CG2 4.3Å; L284-P508 HydrophobicContact CD2-CB 3.59Å; L284-P508 HydrophobicContact CD2-CG 3.53Å
285	A	97.4	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.7	-178.5	0	0	0	0	0	112.1	F283 L306 D307 I308 T506 V507 M509	F283-A285 HydrophobicContact CD1-CB 3.89Å; F283-A285 HydrophobicContact CE1-CB 3.98Å; F283-A285 PolarHBondContact O-N 2.88Å; A285-L306 HydrophobicContact CB-CB 3.89Å; A285-D307 WeakPolarHBondContact CB-O 3.47Å; A285-I308 HydrophobicContact CB-CG2 4.41Å; A285-T506 CarbonylContact O-C 3.56Å; A285-T506 VanDerWaalsContact O-CA 3.28Å; A285-T506 WeakPolarHBondContact O-CA 3.39Å; A285-V507 PolarHBondContact N-O 2.95Å; A285-V507 PolarHBondContact O-N 3.14Å; A285-M509 HydrophobicContact CB-CG 3.77Å; A285-M509 HydrophobicContact CB-SD 4.31Å
286	P	96.7	Very high	95.2	Very high	52 Å²	52	48 Å²	48	34%	0.338	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.1	170.8	-21.4	34.1	0	0	0	112.2	L284 L306 D307 T506	L284-P286 WeakPolarHBondContact O-CD 3.36Å; P286-L306 WeakPolarHBondContact O-CA 3.14Å; P286-D307 VanDerWaalsContact CD-O 3.31Å; P286-D307 WeakPolarHBondContact CD-O 3.41Å; P286-D307 PolarHBondContact O-N 3.43Å; P286-T506 HydrophobicContact CG-CG2 4.44Å
287	V	96.9	Very high	94.9	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.7	174.3	-174.9	0	0	0	0	110	V289 N290 L304 L306 K498 N501 S505 V507	V287-V289 WeakPolarHBondContact CG1-O 3.33Å; V287-N290 HydrophobicContact CG1-CB 4.21Å; V287-L304 HydrophobicContact CG1-CD2 4.49Å; V287-L306 HydrophobicContact CG2-CD2 3.87Å; V287-K498 HydrophobicContact CB-CB 4.48Å; V287-K498 HydrophobicContact CG1-CB 4.47Å; V287-K498 HydrophobicContact CG2-CB 3.93Å; V287-K498 HydrophobicContact CG2-CG 4.22Å; V287-N501 PolarHBondContact O-N 3.34Å; V287-N501 VanDerWaalsContact O-N 3.08Å; V287-S505 PolarHBondContact N-O 3.19Å; V287-V507 HydrophobicContact CG2-CG2 3.59Å
288	T	96.4	Very high	94.4	Very high	41 Å²	41	50.3 Å²	50.3	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-27.8	-178.2	51.4	0	0	0	0	113	E305 D307 V500	T288-E305 PolarHBondContact N-O 3.2Å; T288-E305 VanDerWaalsContact OG1-CB 3.31Å; T288-E305 WeakPolarHBondContact OG1-CB 3.45Å; T288-E305 PolarHBondContact OG1-O 2.84Å; T288-D307 HydrophobicContact CG2-CB 3.71Å; T288-V500 WeakPolarHBondContact O-CG1 3.45Å
289	V	97.2	Very high	94.4	Very high	39 Å²	39	50.8 Å²	50.8	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140	174.7	-179.9	0	0	0	0	109.2	V287 R291 L304 E305	V287-V289 WeakPolarHBondContact CG1-O 3.33Å; V289-R291 HydrophobicContact CG1-CB 4.41Å; V289-R291 HydrophobicContact CG1-CG 4.14Å; V289-L304 CarbonylContact O-C 3.5Å; V289-L304 VanDerWaalsContact O-CA 3.23Å; V289-L304 WeakPolarHBondContact O-CA 3.35Å; V289-E305 HydrophobicContact CB-CB 3.8Å; V289-E305 HydrophobicContact CB-CG 3.72Å; V289-E305 HydrophobicContact CG1-CG 4.46Å; V289-E305 HydrophobicContact CG2-CB 4.09Å; V289-E305 VanDerWaalsContact CG2-CD 3.44Å; V289-E305 HydrophobicContact CG2-CG 3.98Å; V289-E305 PolarHBondContact O-N 3.31Å
290	N	96.4	Very high	94.7	Very high	37 Å²	37	50.5 Å²	50.5	20%	0.198	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	98.1	168.3	-177.3	3.3	0	0	0	107.5	V287 H303 L304 L495 K496 K498 V500	V287-N290 HydrophobicContact CG1-CB 4.21Å; N290-H303 WeakPolarHBondContact CA-O 3.15Å; N290-L304 HydrophobicContact CB-CG 4.38Å; N290-L495 PolarHBondContact ND2-O 2.95Å; N290-K496 PolarHBondContact ND2-O 3.34Å; N290-K496 VanDerWaalsContact ND2-O 3.1Å; N290-K498 PolarHBondContact ND2-O 3.3Å; N290-V500 HydrophobicContact CB-CG2 3.73Å
291	R	95.9	Very high	95	Very high	92 Å²	92	44.2 Å²	44.2	35%	0.347	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146	-175.8	67.6	178.6	176.8	105	-7.4	111.5	V289 M302 H303 E576	V289-R291 HydrophobicContact CG1-CB 4.41Å; V289-R291 HydrophobicContact CG1-CG 4.14Å; R291-M302 WeakPolarHBondContact O-CA 3.17Å; R291-H303 HydrophobicContact CG-CB 3.9Å; R291-H303 PolarHBondContact N-O 3.4Å; R291-H303 PolarHBondContact O-N 2.97Å; R291-E576 IonicContact CZ-OE1 3.66Å; R291-E576 IonicContact NH1-OE1 2.77Å; R291-E576 IonicContact NH2-OE1 2.75Å; R291-E576 PolarHBondContact NH2-OE1 2.99Å
292	K	96.4	Very high	95.1	Very high	106 Å²	106	42.9 Å²	42.9	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.8	172.2	-168.1	-178.5	179.8	-171.6	0	109.7	N294 L301	K292-N294 VanDerWaalsContact CE-CG 3.45Å; K292-N294 VanDerWaalsContact CE-ND2 3.33Å; K292-N294 WeakPolarHBondContact CE-ND2 3.43Å; K292-N294 VanDerWaalsContact CE-O 3.26Å; K292-N294 WeakPolarHBondContact CE-O 3.31Å; K292-N294 WeakPolarHBondContact CE-OD1 3.44Å; K292-L301 CarbonylContact C-O 3.58Å; K292-L301 WeakPolarHBondContact CA-O 3.28Å
293	L	96.3	Very high	95.1	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	23%	0.227	C	C	.	.			trans	-94.5	-36.4	179.4	-74	172.6	0	0	0	113.3	L301 H303 I572 Y573	L293-L301 HydrophobicContact CB-CB 4.11Å; L293-L301 PolarHBondContact N-O 2.83Å; L293-H303 HydrophobicContact CD1-CB 3.95Å; L293-H303 HydrophobicContact CD2-CB 3.78Å; L293-H303 HydrophobicContact CG-CB 3.78Å; L293-I572 HydrophobicContact CB-CB 4.03Å; L293-I572 HydrophobicContact CB-CG2 3.6Å; L293-I572 HydrophobicContact CD1-CB 4.3Å; L293-I572 HydrophobicContact CD1-CG2 4.41Å; L293-Y573 HydrophobicContact CD1-CE1 4.37Å; L293-Y573 HydrophobicContact CD1-CE2 3.81Å; L293-Y573 HydrophobicContact CD2-CD1 3.94Å; L293-Y573 HydrophobicContact CD2-CE1 3.62Å; L293-Y573 HydrophobicContact CD2-CE2 4.32Å; L293-Y573 HydrophobicContact CD2-CG 4.41Å
294	N	93.4	Very high	95.1	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.223	C	C	.	.			trans	-83.9	136.4	-179.6	66.5	-67.4	0	0	0	111.7	K292 A296 R299 L301 E569 D570	K292-N294 VanDerWaalsContact CE-CG 3.45Å; K292-N294 VanDerWaalsContact CE-ND2 3.33Å; K292-N294 WeakPolarHBondContact CE-ND2 3.43Å; K292-N294 VanDerWaalsContact CE-O 3.26Å; K292-N294 WeakPolarHBondContact CE-O 3.31Å; K292-N294 WeakPolarHBondContact CE-OD1 3.44Å; N294-A296 PolarHBondContact ND2-O 3.35Å; N294-R299 PolarHBondContact ND2-O 2.75Å; N294-R299 PolarHBondContact OD1-O 2.97Å; N294-L301 HydrophobicContact CB-CB 4.36Å; N294-L301 HydrophobicContact CB-CD1 3.82Å; N294-L301 PolarHBondContact OD1-N 2.95Å; N294-L301 PolarHBondContact OD1-O 2.78Å; N294-E569 CarbonylContact C-O 3.57Å; N294-E569 WeakPolarHBondContact CA-O 3.5Å; N294-E569 WeakPolarHBondContact CB-O 3.19Å; N294-D570 HydrophobicContact CB-CB 4.36Å
295	K	92.4	Very high	95.2	Very high	109 Å²	109	42.8 Å²	42.8	47%	0.474	23%	0.225	S	C	.	.	S	Bend	trans	-78.3	-33.5	-175.8	-63.2	179.1	179.7	-179.1	0	111.9	E569 E575	K295-E569 PolarHBondContact N-O 3.41Å; K295-E575 IonicContact NZ-OE1 3.38Å; K295-E575 PolarHBondContact NZ-OE1 3.24Å
296	A	91	Very high	95.2	Very high	43 Å²	43	42.8 Å²	42.8	36%	0.355	23%	0.225	S	C	.	.	S	Bend	trans	-149.3	-171.5	179.9	0	0	0	0	0	111.3	N294 E569	N294-A296 PolarHBondContact ND2-O 3.35Å; A296-E569 HydrophobicContact CB-CB 4.36Å; A296-E569 HydrophobicContact CB-CG 4.13Å; A296-E569 PolarHBondContact N-O 2.97Å
297	G	88.3	Confident	95.3	Very high	44 Å²	44	42.7 Å²	42.7	45%	0.454	22%	0.221	S	C	.	.	S	Bend	trans	88.9	177	179.8	0	0	0	0	0	114.8
298	D	87.3	Confident	95.3	Very high	138 Å²	138	42.7 Å²	42.7	74%	0.738	22%	0.221	S	C	*	.	S	Bend	trans	-81.9	-24.5	-175.8	59.7	-20.4	0	0	0	113.7	R565	D298-R565 IonicContact OD1-NH1 2.69Å
299	R	92.1	Very high	95.3	Very high	76 Å²	76	44.7 Å²	44.7	29%	0.287	23%	0.234	S	C	.	.			trans	-79.9	159	179.9	-59.8	-171	-65.3	168.5	2	112	N294 L301 D570	N294-R299 PolarHBondContact ND2-O 2.75Å; N294-R299 PolarHBondContact OD1-O 2.97Å; R299-L301 HydrophobicContact CB-CD1 3.95Å; R299-D570 IonicContact CZ-OD2 3.69Å; R299-D570 IonicContact NH2-OD2 2.77Å; R299-D570 PolarHBondContact NH2-OD2 3.17Å
300	H	95.8	Very high	95.2	Very high	46 Å²	46	46 Å²	46	21%	0.213	26%	0.256	C	S	.	.			trans	-120	105.9	169.7	-174.4	104.5	0	0	0	109.1	V476	H300-V476 HydrophobicContact CB-CB 4.06Å; H300-V476 HydrophobicContact CB-CG2 4Å; H300-V476 VanDerWaalsContact CD2-CG2 3.43Å; H300-V476 WeakPolarHBondContact CD2-CG2 3.45Å; H300-V476 PolarHBondContact O-N 2.91Å
301	L	96.9	Very high	95.2	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.2	171	-67.3	92.2	0	0	0	108	K292 L293 N294 R299 A474 V475 T533 I572	K292-L301 CarbonylContact C-O 3.58Å; K292-L301 WeakPolarHBondContact CA-O 3.28Å; L293-L301 HydrophobicContact CB-CB 4.11Å; L293-L301 PolarHBondContact N-O 2.83Å; N294-L301 HydrophobicContact CB-CB 4.36Å; N294-L301 HydrophobicContact CB-CD1 3.82Å; N294-L301 PolarHBondContact OD1-N 2.95Å; N294-L301 PolarHBondContact OD1-O 2.78Å; R299-L301 HydrophobicContact CB-CD1 3.95Å; L301-A474 CarbonylContact C-O 3.32Å; L301-A474 WeakPolarHBondContact CA-O 3.27Å; L301-V475 HydrophobicContact CD1-CG2 4.5Å; L301-V475 HydrophobicContact CG-CB 4.25Å; L301-V475 HydrophobicContact CG-CG2 4.17Å; L301-T533 HydrophobicContact CD2-CG2 4.23Å; L301-I572 HydrophobicContact CB-CG2 4.22Å; L301-I572 HydrophobicContact CD2-CD1 4.13Å; L301-I572 HydrophobicContact CD2-CG2 3.86Å
302	M	97.3	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.6	-173	60.3	-173.1	-171.7	0	0	111.7	R291 L304 A474 V476 L495 K496	R291-M302 WeakPolarHBondContact O-CA 3.17Å; M302-L304 HydrophobicContact CB-CD1 4.07Å; M302-L304 HydrophobicContact CE-CD1 3.8Å; M302-L304 HydrophobicContact CG-CD1 3.53Å; M302-L304 HydrophobicContact SD-CD1 3.68Å; M302-A474 HydrophobicContact CE-CB 3.76Å; M302-A474 HydrophobicContact CG-CB 4.27Å; M302-A474 PolarHBondContact N-O 2.84Å; M302-A474 PolarHBondContact O-N 3.35Å; M302-V476 HydrophobicContact CE-CG2 4.49Å; M302-V476 HydrophobicContact SD-CG2 3.99Å; M302-L495 HydrophobicContact CE-CB 3.66Å; M302-L495 HydrophobicContact CE-CD1 4.26Å; M302-K496 HydrophobicContact SD-CB 4.01Å
303	H	98.5	Very high	95.3	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.7	168.2	175.2	84.2	0	0	0	108.6	N290 R291 L293 E305 H471 I472 Y573	N290-H303 WeakPolarHBondContact CA-O 3.15Å; R291-H303 HydrophobicContact CG-CB 3.9Å; R291-H303 PolarHBondContact N-O 3.4Å; R291-H303 PolarHBondContact O-N 2.97Å; L293-H303 HydrophobicContact CD1-CB 3.95Å; L293-H303 HydrophobicContact CD2-CB 3.78Å; L293-H303 HydrophobicContact CG-CB 3.78Å; H303-E305 WeakPolarHBondContact NE2-CG 3.46Å; H303-E305 IonicContact NE2-OE1 3.47Å; H303-E305 PolarHBondContact NE2-OE1 3.45Å; H303-H471 AromaticContact CE1-CG 3.84Å; H303-H471 AromaticContact CE1-ND1 3.61Å; H303-H471 AromaticContact NE2-ND1 3.99Å; H303-I472 WeakPolarHBondContact CA-O 3.4Å; H303-Y573 HydrophobicContact CB-CE1 4.45Å; H303-Y573 AromaticContact ND1-CE1 3.62Å; H303-Y573 AromaticContact ND1-CZ 3.64Å; H303-Y573 PolarHBondContact ND1-OH 3.45Å
304	L	98.1	Very high	95.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.4	175.3	-62.8	90.7	0	0	0	110.7	V287 V289 N290 M302 H471 I472 L495	V287-L304 HydrophobicContact CG1-CD2 4.49Å; V289-L304 CarbonylContact O-C 3.5Å; V289-L304 VanDerWaalsContact O-CA 3.23Å; V289-L304 WeakPolarHBondContact O-CA 3.35Å; N290-L304 HydrophobicContact CB-CG 4.38Å; M302-L304 HydrophobicContact CB-CD1 4.07Å; M302-L304 HydrophobicContact CE-CD1 3.8Å; M302-L304 HydrophobicContact CG-CD1 3.53Å; M302-L304 HydrophobicContact SD-CD1 3.68Å; L304-H471 CarbonylContact O-C 3.58Å; L304-H471 VanDerWaalsContact O-CA 3.25Å; L304-H471 WeakPolarHBondContact O-CA 3.38Å; L304-I472 HydrophobicContact CB-CB 4.35Å; L304-I472 PolarHBondContact N-O 3.18Å; L304-I472 PolarHBondContact O-N 3.26Å; L304-L495 HydrophobicContact CD2-CB 4.01Å; L304-L495 HydrophobicContact CD2-CD2 4.14Å
305	E	98.3	Very high	95.5	Very high	44 Å²	44	54.5 Å²	54.5	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.7	171.3	-61.9	-178.3	-155	0	0	109.6	T288 V289 H303 H471	T288-E305 PolarHBondContact N-O 3.2Å; T288-E305 VanDerWaalsContact OG1-CB 3.31Å; T288-E305 WeakPolarHBondContact OG1-CB 3.45Å; T288-E305 PolarHBondContact OG1-O 2.84Å; V289-E305 HydrophobicContact CB-CB 3.8Å; V289-E305 HydrophobicContact CB-CG 3.72Å; V289-E305 HydrophobicContact CG1-CG 4.46Å; V289-E305 HydrophobicContact CG2-CB 4.09Å; V289-E305 VanDerWaalsContact CG2-CD 3.44Å; V289-E305 HydrophobicContact CG2-CG 3.98Å; V289-E305 PolarHBondContact O-N 3.31Å; H303-E305 WeakPolarHBondContact NE2-CG 3.46Å; H303-E305 IonicContact NE2-OE1 3.47Å; H303-E305 PolarHBondContact NE2-OE1 3.45Å; E305-H471 IonicContact OE2-NE2 3.17Å
306	L	98.3	Very high	95.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.6	-178.5	-57.2	-175.2	0	0	0	109.4	A285 P286 V287 S469 I470 I472 V507 M509	A285-L306 HydrophobicContact CB-CB 3.89Å; P286-L306 WeakPolarHBondContact O-CA 3.14Å; V287-L306 HydrophobicContact CG2-CD2 3.87Å; L306-S469 WeakPolarHBondContact O-CA 3.36Å; L306-I470 HydrophobicContact CB-CB 4.39Å; L306-I470 PolarHBondContact N-O 3.23Å; L306-I470 PolarHBondContact O-N 2.93Å; L306-I472 HydrophobicContact CD1-CD1 3.79Å; L306-I472 HydrophobicContact CG-CD1 4.43Å; L306-V507 HydrophobicContact CD1-CB 4.45Å; L306-V507 HydrophobicContact CD1-CG1 4.16Å; L306-V507 HydrophobicContact CD2-CB 4.09Å; L306-V507 HydrophobicContact CD2-CG2 3.99Å; L306-M509 HydrophobicContact CD1-CG 4.21Å
307	D	97.6	Very high	96.1	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.6	177.2	178.7	17.8	0	0	0	110.7	F283 A285 P286 T288 T309	F283-D307 WeakPolarHBondContact CE1-O 3.41Å; A285-D307 WeakPolarHBondContact CB-O 3.47Å; P286-D307 VanDerWaalsContact CD-O 3.31Å; P286-D307 WeakPolarHBondContact CD-O 3.41Å; P286-D307 PolarHBondContact O-N 3.43Å; T288-D307 HydrophobicContact CG2-CB 3.71Å; D307-T309 WeakPolarHBondContact OD1-CB 3.29Å; D307-T309 PolarHBondContact OD1-N 2.9Å; D307-T309 PolarHBondContact OD1-OG1 3.36Å
308	I	97.7	Very high	96.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.248	C	C	.	.			trans	-114.8	18.2	177.9	60.5	162	0	0	0	112.6	F283 A285 G310 S311 I313 Y315 N468 I470 M509	F283-I308 HydrophobicContact CD1-CG2 4.23Å; F283-I308 HydrophobicContact CE1-CB 4.41Å; F283-I308 HydrophobicContact CE1-CG2 4.31Å; A285-I308 HydrophobicContact CB-CG2 4.41Å; I308-G310 PolarHBondContact O-N 2.9Å; I308-S311 VanDerWaalsContact O-CB 3.27Å; I308-S311 WeakPolarHBondContact O-CB 3.25Å; I308-S311 PolarHBondContact O-N 2.8Å; I308-S311 VanDerWaalsContact O-N 3.14Å; I308-S311 PolarHBondContact O-OG 3.29Å; I308-I313 HydrophobicContact CD1-CB 4.2Å; I308-I313 HydrophobicContact CD1-CG2 4.16Å; I308-Y315 HydrophobicContact CD1-CD1 4.19Å; I308-Y315 HydrophobicContact CD1-CE1 4.28Å; I308-N468 VanDerWaalsContact CG1-C 3.42Å; I308-N468 VanDerWaalsContact CG1-O 3.29Å; I308-N468 WeakPolarHBondContact CG1-O 3.43Å; I308-N468 PolarHBondContact N-O 3.28Å; I308-I470 HydrophobicContact CD1-CD1 4.02Å; I308-I470 HydrophobicContact CD1-CG1 4.05Å; I308-I470 HydrophobicContact CG2-CD1 3.68Å; I308-I470 HydrophobicContact CG2-CG1 4.25Å; I308-M509 HydrophobicContact CG2-SD 4.18Å
309	T	96.6	Very high	97	Very high	83 Å²	83	43.3 Å²	43.3	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.4	176.1	-60.6	0	0	0	0	111.3	D307 S311	D307-T309 WeakPolarHBondContact OD1-CB 3.29Å; D307-T309 PolarHBondContact OD1-N 2.9Å; D307-T309 PolarHBondContact OD1-OG1 3.36Å; T309-S311 PolarHBondContact O-N 2.9Å; T309-S311 VanDerWaalsContact O-N 3.15Å
310	G	94.3	Very high	97.3	Very high	68 Å²	68	40.3 Å²	40.3	70%	0.701	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-11.7	-179.7	0	0	0	0	0	115.7	I308 K312	I308-G310 PolarHBondContact O-N 2.9Å; G310-K312 VanDerWaalsContact C-N 3.3Å; G310-K312 PolarHBondContact O-N 3.22Å
311	S	95.9	Very high	97.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.192	C	C	.	.	S	Bend	trans	-70.6	-24.2	-179.5	71.8	0	0	0	0	113.9	F277 I308 T309 I313	F277-S311 WeakPolarHBondContact CD2-O 3.37Å; F277-S311 VanDerWaalsContact CE2-O 3.31Å; F277-S311 WeakPolarHBondContact CE2-O 3.29Å; I308-S311 VanDerWaalsContact O-CB 3.27Å; I308-S311 WeakPolarHBondContact O-CB 3.25Å; I308-S311 PolarHBondContact O-N 2.8Å; I308-S311 VanDerWaalsContact O-N 3.14Å; I308-S311 PolarHBondContact O-OG 3.29Å; T309-S311 PolarHBondContact O-N 2.9Å; T309-S311 VanDerWaalsContact O-N 3.15Å; S311-I313 PolarHBondContact O-N 2.99Å; S311-I313 WeakPolarHBondContact OG-CB 3.49Å; S311-I313 WeakPolarHBondContact OG-CG1 3.39Å; S311-I313 PolarHBondContact OG-N 3.39Å
312	K	96.6	Very high	97.4	Very high	173 Å²	173	38 Å²	38	75%	0.752	19%	0.192	S	C	*	.			trans	62	11.4	-168.2	-52.2	179.5	179.1	179.4	0	114.5	P275 G310	P275-K312 HydrophobicContact CG-CD 4.49Å; G310-K312 VanDerWaalsContact C-N 3.3Å; G310-K312 PolarHBondContact O-N 3.22Å
313	I	97.7	Very high	97.5	Very high	25 Å²	25	38 Å²	38	13%	0.128	19%	0.192	C	C	.	.			trans	-60.8	140	172.4	-68.6	172.5	0	0	0	109.1	F277 F283 I308 S311 M509 I511	F277-I313 HydrophobicContact CB-CD1 4.18Å; F277-I313 HydrophobicContact CB-CG1 4.35Å; F277-I313 HydrophobicContact CD2-CD1 4.33Å; F277-I313 HydrophobicContact CD2-CG1 4.23Å; F283-I313 HydrophobicContact CB-CD1 3.66Å; F283-I313 HydrophobicContact CD1-CD1 4.23Å; F283-I313 HydrophobicContact CG-CD1 4.07Å; I308-I313 HydrophobicContact CD1-CB 4.2Å; I308-I313 HydrophobicContact CD1-CG2 4.16Å; S311-I313 PolarHBondContact O-N 2.99Å; S311-I313 WeakPolarHBondContact OG-CB 3.49Å; S311-I313 WeakPolarHBondContact OG-CG1 3.39Å; S311-I313 PolarHBondContact OG-N 3.39Å; I313-M509 HydrophobicContact CD1-SD 4.01Å; I313-I511 HydrophobicContact CG2-CB 4.36Å; I313-I511 HydrophobicContact CG2-CG1 3.41Å; I313-I511 VanDerWaalsContact CG2-CG1 3.41Å
314	R	97.4	Very high	97.4	Very high	224 Å²	224	39 Å²	39	85%	0.845	20%	0.196	S	C	*	.			trans	-121.3	142.5	172.4	-62.8	-176.7	-178.3	-176.6	0.3	108.3
315	Y	98.3	Very high	97.4	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.035	20%	0.198	C	C	.	.			trans	-146.8	163.8	175.7	77.7	-81.9	0	0	0	109.3	I308 I459 S461 S462 S463 H466 S469 I470	I308-Y315 HydrophobicContact CD1-CD1 4.19Å; I308-Y315 HydrophobicContact CD1-CE1 4.28Å; Y315-I459 HydrophobicContact CD2-CD1 3.74Å; Y315-I459 HydrophobicContact CD2-CG2 3.89Å; Y315-I459 HydrophobicContact CE2-CG2 3.61Å; Y315-I459 HydrophobicContact CG-CD1 4.15Å; Y315-S461 PolarHBondContact OH-OG 2.92Å; Y315-S462 PolarHBondContact OH-O 2.77Å; Y315-S463 WeakPolarHBondContact O-CB 3.43Å; Y315-S463 PolarHBondContact O-OG 3.45Å; Y315-S463 WeakPolarHBondContact OH-CA 3.36Å; Y315-S463 PolarHBondContact OH-N 3.04Å; Y315-H466 PolarHBondContact OH-O 3.26Å; Y315-S469 PolarHBondContact OH-O 3.05Å; Y315-I470 HydrophobicContact CD1-CG1 4.12Å; Y315-I470 HydrophobicContact CE1-CG1 4.07Å
316	E	98.2	Very high	97.4	Very high	94 Å²	94	38.7 Å²	38.7	44%	0.439	20%	0.197	S	C	.	.			trans	-126.6	161	171.2	-63.9	-176.5	145.6	0	0	110.2	G318 D319 R517	E316-G318 PolarHBondContact O-N 2.8Å; E316-D319 PolarHBondContact N-OD2 2.89Å; E316-D319 WeakPolarHBondContact O-CB 3.5Å; E316-D319 PolarHBondContact O-N 3.27Å; E316-D319 VanDerWaalsContact O-N 3.08Å; E316-R517 IonicContact OE2-CZ 2.78Å; E316-R517 IonicContact OE2-NE 2.82Å; E316-R517 PolarHBondContact OE2-NE 3.04Å; E316-R517 IonicContact OE2-NH2 3.3Å; E316-R517 PolarHBondContact OE2-NH2 3.3Å
317	S	97.8	Very high	97.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	131.1	174	-49.8	0	0	0	0	109.8	S462 E544	S317-S462 VanDerWaalsContact OG-CA 3.23Å; S317-S462 WeakPolarHBondContact OG-CA 3.31Å; S317-S462 WeakPolarHBondContact OG-CB 3.35Å; S317-S462 PolarHBondContact OG-OG 3.35Å; S317-E544 PolarHBondContact OG-OE2 2.82Å
318	G	96.1	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-2	-176.5	0	0	0	0	0	115.4	E316 S514 F516	E316-G318 PolarHBondContact O-N 2.8Å; G318-S514 WeakPolarHBondContact O-CB 3.36Å; G318-S514 PolarHBondContact O-OG 2.79Å; G318-F516 WeakPolarHBondContact CA-O 3.49Å
319	D	97.7	Very high	97.4	Very high	2 Å²	2	43 Å²	43	1%	0.011	23%	0.227	C	C	.	.			trans	-68.3	166	162.6	-77	-24.4	0	0	0	112.4	E316 I459 I511 K513 S514 R517	E316-D319 PolarHBondContact N-OD2 2.89Å; E316-D319 WeakPolarHBondContact O-CB 3.5Å; E316-D319 PolarHBondContact O-N 3.27Å; E316-D319 VanDerWaalsContact O-N 3.08Å; D319-I459 HydrophobicContact CB-CD1 3.77Å; D319-I459 WeakPolarHBondContact O-CB 3.41Å; D319-I459 VanDerWaalsContact O-CG1 3.27Å; D319-I459 WeakPolarHBondContact O-CG1 3.39Å; D319-I459 PolarHBondContact O-N 2.77Å; D319-I511 HydrophobicContact CB-CG2 4.22Å; D319-K513 VanDerWaalsContact OD1-CA 3.24Å; D319-K513 WeakPolarHBondContact OD1-CA 3.39Å; D319-S514 PolarHBondContact OD1-N 2.83Å; D319-R517 IonicContact OD1-CZ 2.62Å; D319-R517 IonicContact OD1-NH1 3.09Å; D319-R517 PolarHBondContact OD1-NH1 3.08Å; D319-R517 IonicContact OD1-NH2 3.75Å; D319-R517 PolarHBondContact OD1-NH2 2.92Å; D319-R517 IonicContact OD2-NH2 3.62Å; D319-R517 PolarHBondContact OD2-NH2 3.26Å
320	H	97.7	Very high	97.4	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.06	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.1	174.2	-54.6	104.9	0	0	0	110.9	Y456 Y457 R512 D673	H320-Y456 HydrophobicContact CB-CD1 4.2Å; H320-Y457 CarbonylContact C-O 3.6Å; H320-Y457 WeakPolarHBondContact CA-O 3.37Å; H320-R512 PolarHBondContact N-O 2.89Å; H320-R512 VanDerWaalsContact N-O 3.08Å; H320-R512 PolarHBondContact ND1-NH2 2.7Å; H320-R512 VanDerWaalsContact ND1-NH2 3.14Å; H320-R512 PolarHBondContact O-N 2.84Å; H320-D673 IonicContact CD2-OD1 3.45Å; H320-D673 IonicContact CE1-OD1 3.39Å; H320-D673 IonicContact NE2-OD1 2.95Å; H320-D673 PolarHBondContact NE2-OD1 2.86Å; H320-D673 IonicContact NE2-OD2 3Å; H320-D673 PolarHBondContact NE2-OD2 3.5Å
321	V	98.4	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.9	164.3	52.8	0	0	0	0	109.1	V323 Y456 Y457 I459 I470 I472 M509 I511	V321-V323 HydrophobicContact CG2-CG2 4.19Å; V321-Y456 CarbonylContact O-C 3.47Å; V321-Y456 WeakPolarHBondContact O-CA 3.37Å; V321-Y457 WeakPolarHBondContact CG1-O 3.35Å; V321-Y457 PolarHBondContact N-O 3.48Å; V321-Y457 PolarHBondContact O-N 2.71Å; V321-I459 HydrophobicContact CB-CD1 4.41Å; V321-I459 HydrophobicContact CB-CG1 4.02Å; V321-I459 HydrophobicContact CG1-CG1 3.94Å; V321-I470 HydrophobicContact CB-CG2 3.93Å; V321-I470 HydrophobicContact CG1-CG2 3.86Å; V321-I470 HydrophobicContact CG2-CG2 4.26Å; V321-I472 HydrophobicContact CG1-CD1 3.77Å; V321-I472 HydrophobicContact CG1-CG1 3.62Å; V321-M509 HydrophobicContact CB-CE 4.29Å; V321-M509 HydrophobicContact CG2-CB 3.94Å; V321-M509 HydrophobicContact CG2-CE 3.36Å; V321-M509 HydrophobicContact CG2-CG 4.46Å; V321-I511 HydrophobicContact CB-CD1 4.15Å
322	A	97.7	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.4	172.1	0	0	0	0	0	109.5	A454 Y456 M509 Y510	A322-A454 HydrophobicContact CB-CB 4.31Å; A322-Y456 HydrophobicContact CB-CD1 3.73Å; A322-Y456 HydrophobicContact CB-CE1 3.6Å; A322-Y456 HydrophobicContact CB-CG 4.42Å; A322-M509 CarbonylContact O-C 3.59Å; A322-M509 WeakPolarHBondContact O-CA 3.22Å; A322-M509 VanDerWaalsContact O-CB 3.24Å; A322-M509 WeakPolarHBondContact O-CB 3.21Å; A322-Y510 HydrophobicContact CB-CD1 3.73Å; A322-Y510 HydrophobicContact CB-CD2 4.16Å; A322-Y510 HydrophobicContact CB-CE1 3.27Å; A322-Y510 HydrophobicContact CB-CE2 3.75Å; A322-Y510 HydrophobicContact CB-CG 4.15Å; A322-Y510 PolarHBondContact N-O 3.33Å; A322-Y510 PolarHBondContact O-N 2.83Å
323	V	98.1	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.4	-177.3	169.3	0	0	0	0	109.5	V321 P325 A454 R455 Y457 I472 W494 L495 V507 M509	V321-V323 HydrophobicContact CG2-CG2 4.19Å; V323-P325 VanDerWaalsContact O-CD 3.27Å; V323-P325 WeakPolarHBondContact O-CD 3.35Å; V323-A454 CarbonylContact O-C 3.59Å; V323-A454 VanDerWaalsContact O-CA 3.23Å; V323-A454 WeakPolarHBondContact O-CA 3.48Å; V323-R455 PolarHBondContact N-O 2.8Å; V323-R455 PolarHBondContact O-N 2.9Å; V323-Y457 HydrophobicContact CB-CE2 4.34Å; V323-Y457 HydrophobicContact CG2-CD2 4.24Å; V323-Y457 HydrophobicContact CG2-CE2 4.34Å; V323-I472 HydrophobicContact CG2-CD1 4.11Å; V323-W494 HydrophobicContact CG1-CE3 4.22Å; V323-W494 HydrophobicContact CG1-CH2 4.25Å; V323-W494 HydrophobicContact CG1-CZ3 3.45Å; V323-W494 VanDerWaalsContact CG1-CZ3 3.45Å; V323-L495 HydrophobicContact CG1-CD2 4.27Å; V323-V507 HydrophobicContact CB-CG1 4.32Å; V323-V507 HydrophobicContact CG1-CG1 3.6Å; V323-V507 HydrophobicContact CG2-CG1 3.9Å; V323-M509 HydrophobicContact CG2-CB 4.36Å
324	F	97.8	Very high	97.7	Very high	28 Å²	28	41.7 Å²	41.7	12%	0.123	20%	0.2	C	C	.	.			trans	-89.4	107.3	169.4	-69.6	-81.5	0	0	0	109.9	I264 S279 P282 A454 W494 P508 Y510	I264-F324 HydrophobicContact CD1-CD1 3.89Å; I264-F324 HydrophobicContact CD1-CE1 4.18Å; I264-F324 HydrophobicContact CD1-CG 4.16Å; I264-F324 HydrophobicContact CG1-CD1 4.25Å; I264-F324 HydrophobicContact CG1-CD2 4.3Å; I264-F324 HydrophobicContact CG1-CE1 4.28Å; I264-F324 HydrophobicContact CG1-CE2 4.31Å; I264-F324 HydrophobicContact CG1-CG 4.25Å; I264-F324 HydrophobicContact CG1-CZ 4.31Å; I264-F324 HydrophobicContact CG2-CE1 4.47Å; I264-F324 HydrophobicContact CG2-CZ 4.36Å; S279-F324 WeakPolarHBondContact O-CZ 3.5Å; P282-F324 HydrophobicContact CB-CD2 3.9Å; P282-F324 HydrophobicContact CB-CE2 3.95Å; P282-F324 HydrophobicContact CG-CD2 3.86Å; P282-F324 HydrophobicContact CG-CE2 3.95Å; F324-A454 HydrophobicContact CD1-CB 3.89Å; F324-A454 HydrophobicContact CE1-CB 3.78Å; F324-A454 HydrophobicContact CE2-CB 4.42Å; F324-A454 HydrophobicContact CG-CB 4.27Å; F324-A454 HydrophobicContact CZ-CB 4.06Å; F324-W494 WeakPolarHBondContact O-CH2 3.4Å; F324-P508 HydrophobicContact CB-CB 4.23Å; F324-P508 PolarHBondContact N-O 3.29Å; F324-Y510 HydrophobicContact CD2-CE1 4.49Å; F324-Y510 AromaticContact CE2-CD1 3.75Å; F324-Y510 HydrophobicContact CE2-CD1 3.75Å; F324-Y510 AromaticContact CE2-CE1 3.58Å; F324-Y510 HydrophobicContact CE2-CE1 3.58Å; F324-Y510 HydrophobicContact CZ-CD1 4.48Å; F324-Y510 AromaticContact CZ-CE1 3.9Å; F324-Y510 HydrophobicContact CZ-CE1 3.9Å
325	P	97.6	Very high	97.8	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.045	16%	0.16	C	C	.	.			trans	-85	-178.5	-178.9	40.2	-38.9	0	0	0	111.4	V323 L452 V490 A491 W494	V323-P325 VanDerWaalsContact O-CD 3.27Å; V323-P325 WeakPolarHBondContact O-CD 3.35Å; P325-L452 HydrophobicContact CG-CD2 4.36Å; P325-V490 HydrophobicContact CB-CG1 4.01Å; P325-V490 HydrophobicContact CG-CG1 3.86Å; P325-A491 HydrophobicContact CB-CB 3.89Å; P325-A491 HydrophobicContact CG-CB 4.03Å; P325-W494 HydrophobicContact CB-CB 4.37Å; P325-W494 HydrophobicContact CB-CD2 4.11Å; P325-W494 HydrophobicContact CB-CE3 3.92Å; P325-W494 HydrophobicContact CB-CG 4.36Å; P325-W494 HydrophobicContact CB-CZ3 4.49Å
326	T	97.6	Very high	97.7	Very high	30 Å²	30	30.9 Å²	30.9	18%	0.184	16%	0.16	C	C	.	.			trans	-124.7	147.4	167.5	71.5	0	0	0	0	110.2	T373 H374 V490 W494	T326-T373 CarbonylContact C-O 3.59Å; T326-T373 VanDerWaalsContact CA-O 3.3Å; T326-T373 WeakPolarHBondContact CA-O 3.09Å; T326-T373 HydrophobicContact CG2-CG2 4.41Å; T326-H374 WeakPolarHBondContact CG2-CE1 3.1Å; T326-H374 WeakPolarHBondContact CG2-ND1 3.17Å; T326-V490 WeakPolarHBondContact O-CG1 3.48Å; T326-W494 HydrophobicContact CG2-CZ2 4.36Å; T326-W494 PolarHBondContact OG1-NE1 2.96Å
327	N	98.4	Very high	97.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.175	C	C	.	.			trans	-63.7	158.1	171.8	-69.8	-55.2	0	0	0	111.5	S329 V332 L372 T373 L376 I378	N327-S329 PolarHBondContact O-N 3.25Å; N327-V332 HydrophobicContact CB-CG2 4.18Å; N327-L372 PolarHBondContact ND2-O 2.84Å; N327-T373 PolarHBondContact N-O 2.64Å; N327-L376 PolarHBondContact ND2-O 3.17Å; N327-I378 HydrophobicContact CB-CD1 3.88Å; N327-I378 HydrophobicContact CB-CG1 4.13Å
328	D	97.6	Very high	97.7	Very high	64 Å²	64	35.8 Å²	35.8	34%	0.342	18%	0.184	S	C	.	.			trans	-64.3	126.7	175	-169.6	-32.5	0	0	0	109.7	E330 L331 V332 K488	D328-E330 PolarHBondContact O-N 2.78Å; D328-E330 WeakPolarHBondContact OD1-CB 3.35Å; D328-E330 PolarHBondContact OD1-N 3.11Å; D328-L331 HydrophobicContact CB-CB 4.19Å; D328-L331 WeakPolarHBondContact O-CB 3.41Å; D328-L331 PolarHBondContact O-N 3.05Å; D328-L331 VanDerWaalsContact O-N 3.07Å; D328-V332 PolarHBondContact O-N 3.29Å; D328-V332 VanDerWaalsContact O-N 3.12Å; D328-K488 IonicContact OD2-NZ 3.91Å
329	S	97.3	Very high	97.8	Very high	75 Å²	75	37 Å²	37	52%	0.524	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-31.2	179.6	52.1	0	0	0	0	112.8	N327 L331 V332 N333	N327-S329 PolarHBondContact O-N 3.25Å; S329-L331 VanDerWaalsContact C-N 3.32Å; S329-V332 PolarHBondContact O-N 3.35Å; S329-N333 WeakPolarHBondContact O-CB 3.21Å; S329-N333 PolarHBondContact O-N 2.86Å; S329-N333 PolarHBondContact O-ND2 3.14Å; S329-N333 VanDerWaalsContact O-ND2 3.14Å
330	E	97.1	Very high	97.7	Very high	120 Å²	120	40.2 Å²	40.2	56%	0.561	22%	0.224	S	C	*	.	H	α-helix	trans	-65.1	-39.4	175.8	-66.1	-176.2	179.1	0	0	111.2	D328 N333 K334	D328-E330 PolarHBondContact O-N 2.78Å; D328-E330 WeakPolarHBondContact OD1-CB 3.35Å; D328-E330 PolarHBondContact OD1-N 3.11Å; E330-N333 PolarHBondContact O-N 3.07Å; E330-K334 WeakPolarHBondContact O-CB 3.41Å; E330-K334 VanDerWaalsContact O-CG 3.3Å; E330-K334 WeakPolarHBondContact O-CG 3.43Å; E330-K334 PolarHBondContact O-N 3.05Å
331	L	97.2	Very high	97.7	Very high	29 Å²	29	41.8 Å²	41.8	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-44.3	177.9	-172.1	72.5	0	0	0	111	D328 S329 K334 L335 I378 T379 L429	D328-L331 HydrophobicContact CB-CB 4.19Å; D328-L331 WeakPolarHBondContact O-CB 3.41Å; D328-L331 PolarHBondContact O-N 3.05Å; D328-L331 VanDerWaalsContact O-N 3.07Å; S329-L331 VanDerWaalsContact C-N 3.32Å; L331-K334 PolarHBondContact O-N 2.78Å; L331-L335 PolarHBondContact O-N 2.96Å; L331-L335 VanDerWaalsContact O-N 3.1Å; L331-I378 HydrophobicContact CB-CD1 4.4Å; L331-I378 HydrophobicContact CD2-CD1 3.54Å; L331-I378 HydrophobicContact CD2-CG1 3.67Å; L331-I378 HydrophobicContact CG-CD1 3.85Å; L331-I378 HydrophobicContact CG-CG1 4.45Å; L331-T379 HydrophobicContact CD2-CG2 3.7Å; L331-L429 HydrophobicContact CD1-CB 4.04Å; L331-L429 HydrophobicContact CD1-CD2 3.35Å; L331-L429 HydrophobicContact CD1-CG 4.33Å; L331-L429 HydrophobicContact CG-CD2 4.44Å
332	V	98.5	Very high	97.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-46.2	176.2	174.3	0	0	0	0	110.9	N327 D328 S329 K334 L335 G336 L343 R369 L372 I378	N327-V332 HydrophobicContact CB-CG2 4.18Å; D328-V332 PolarHBondContact O-N 3.29Å; D328-V332 VanDerWaalsContact O-N 3.12Å; S329-V332 PolarHBondContact O-N 3.35Å; V332-K334 PolarHBondContact O-N 2.98Å; V332-L335 WeakPolarHBondContact O-CB 3.4Å; V332-L335 PolarHBondContact O-N 3.29Å; V332-G336 PolarHBondContact O-N 3.03Å; V332-L343 HydrophobicContact CG1-CD1 3.93Å; V332-L343 WeakPolarHBondContact O-CD1 3.47Å; V332-R369 HydrophobicContact CG1-CG 4.35Å; V332-L372 HydrophobicContact CG1-CB 3.89Å; V332-L372 HydrophobicContact CG1-CD1 4.31Å; V332-L372 HydrophobicContact CG2-CB 4.09Å; V332-I378 HydrophobicContact CG2-CD1 3.87Å
333	N	98.5	Very high	97.7	Very high	74 Å²	74	46.9 Å²	46.9	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-44.4	178.4	-72.9	-25.6	0	0	0	112.2	S329 E330 L335 G336 E337 R369	S329-N333 WeakPolarHBondContact O-CB 3.21Å; S329-N333 PolarHBondContact O-N 2.86Å; S329-N333 PolarHBondContact O-ND2 3.14Å; S329-N333 VanDerWaalsContact O-ND2 3.14Å; E330-N333 PolarHBondContact O-N 3.07Å; N333-L335 VanDerWaalsContact C-N 3.3Å; N333-L335 PolarHBondContact O-N 2.66Å; N333-G336 PolarHBondContact O-N 3.02Å; N333-G336 VanDerWaalsContact O-N 3.14Å; N333-E337 PolarHBondContact O-N 2.88Å; N333-R369 PolarHBondContact OD1-NH1 2.82Å
334	K	97.9	Very high	97.7	Very high	99 Å²	99	50.8 Å²	50.8	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-35.9	177.4	-76.3	177.5	179.7	-177.3	0	112.8	E330 L331 V332 E337 I338 L429	E330-K334 WeakPolarHBondContact O-CB 3.41Å; E330-K334 VanDerWaalsContact O-CG 3.3Å; E330-K334 WeakPolarHBondContact O-CG 3.43Å; E330-K334 PolarHBondContact O-N 3.05Å; L331-K334 PolarHBondContact O-N 2.78Å; V332-K334 PolarHBondContact O-N 2.98Å; K334-E337 PolarHBondContact O-N 3.36Å; K334-I338 WeakPolarHBondContact O-CB 3.39Å; K334-I338 WeakPolarHBondContact O-CG2 3.46Å; K334-I338 PolarHBondContact O-N 3.29Å; K334-L429 HydrophobicContact CB-CD1 4.21Å; K334-L429 HydrophobicContact CB-CD2 3.79Å; K334-L429 HydrophobicContact CD-CD2 4.08Å
335	L	97.5	Very high	97.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-42	173.4	-78.2	170.2	0	0	0	112	L331 V332 N333 I338 L339 L372 I378 I428 L429 L432	L331-L335 PolarHBondContact O-N 2.96Å; L331-L335 VanDerWaalsContact O-N 3.1Å; V332-L335 WeakPolarHBondContact O-CB 3.4Å; V332-L335 PolarHBondContact O-N 3.29Å; N333-L335 VanDerWaalsContact C-N 3.3Å; N333-L335 PolarHBondContact O-N 2.66Å; L335-I338 WeakPolarHBondContact O-CG2 3.39Å; L335-L339 WeakPolarHBondContact O-CB 3.31Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.41Å; L335-L339 PolarHBondContact O-N 2.92Å; L335-L372 HydrophobicContact CD1-CD2 4.43Å; L335-I378 HydrophobicContact CD1-CB 4.03Å; L335-I378 HydrophobicContact CD1-CD1 3.76Å; L335-I378 HydrophobicContact CD1-CG2 3.89Å; L335-I428 HydrophobicContact CD1-CG2 4.49Å; L335-I428 HydrophobicContact CD2-CG2 4.34Å; L335-L429 HydrophobicContact CD2-CB 3.9Å; L335-L429 HydrophobicContact CD2-CD1 3.81Å; L335-L429 HydrophobicContact CD2-CG 4.45Å; L335-L429 HydrophobicContact CG-CB 4.3Å; L335-L429 HydrophobicContact CG-CD1 4.14Å; L335-L432 HydrophobicContact CD2-CD1 3.68Å
336	G	97.6	Very high	97.7	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-43.5	173.7	0	0	0	0	0	112.6	V332 N333 G340 V341	V332-G336 PolarHBondContact O-N 3.03Å; N333-G336 PolarHBondContact O-N 3.02Å; N333-G336 VanDerWaalsContact O-N 3.14Å; G336-G340 WeakPolarHBondContact O-CA 3.4Å; G336-G340 PolarHBondContact O-N 2.84Å; G336-V341 PolarHBondContact O-N 3.25Å
337	E	98	Very high	97.7	Very high	159 Å²	159	50.4 Å²	50.4	74%	0.743	28%	0.282	S	S	*	.	H	α-helix	trans	-62.9	-49.4	179.4	-173.9	-178.6	174.8	0	0	112.2	N333 K334 L339 G340	N333-E337 PolarHBondContact O-N 2.88Å; K334-E337 PolarHBondContact O-N 3.36Å; E337-L339 VanDerWaalsContact C-N 3.27Å; E337-L339 PolarHBondContact O-N 3.3Å; E337-G340 PolarHBondContact O-N 3.25Å; E337-G340 VanDerWaalsContact O-N 3.11Å
338	I	97.8	Very high	97.7	Very high	41 Å²	41	50.5 Å²	50.5	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-28.9	-176.6	-161.3	166.1	0	0	0	112.8	K334 L335 L429 L432 E433 K439	K334-I338 WeakPolarHBondContact O-CB 3.39Å; K334-I338 WeakPolarHBondContact O-CG2 3.46Å; K334-I338 PolarHBondContact O-N 3.29Å; L335-I338 WeakPolarHBondContact O-CG2 3.39Å; I338-L429 HydrophobicContact CG2-CD1 4.07Å; I338-L432 HydrophobicContact CD1-CB 3.88Å; I338-L432 HydrophobicContact CG2-CB 4.33Å; I338-L432 HydrophobicContact CG2-CD1 4.14Å; I338-E433 HydrophobicContact CD1-CG 3.97Å; I338-K439 PolarHBondContact O-NZ 3.44Å
339	L	97.3	Very high	97.7	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	27%	0.267	C	S	.	.	H	α-helix	trans	-88.8	-12.8	175.5	-62.8	178.6	0	0	0	112.8	L335 E337 V341 L432 P440 I442 L445	L335-L339 WeakPolarHBondContact O-CB 3.31Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.41Å; L335-L339 PolarHBondContact O-N 2.92Å; E337-L339 VanDerWaalsContact C-N 3.27Å; E337-L339 PolarHBondContact O-N 3.3Å; L339-V341 HydrophobicContact CB-CG2 4.1Å; L339-L432 HydrophobicContact CD2-CD1 4.17Å; L339-L432 HydrophobicContact CD2-CD2 4.09Å; L339-L432 HydrophobicContact CG-CD1 4.46Å; L339-P440 HydrophobicContact CD2-CG 4.06Å; L339-I442 HydrophobicContact CD1-CB 4.22Å; L339-I442 HydrophobicContact CD1-CD1 4.47Å; L339-I442 HydrophobicContact CD1-CG1 4.22Å; L339-L445 HydrophobicContact CD1-CD2 3.99Å
340	G	97.2	Very high	97.7	Very high	71 Å²	71	46 Å²	46	73%	0.732	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	37	-178.4	0	0	0	0	0	113.7	G336 E337	G336-G340 WeakPolarHBondContact O-CA 3.4Å; G336-G340 PolarHBondContact O-N 2.84Å; E337-G340 PolarHBondContact O-N 3.25Å; E337-G340 VanDerWaalsContact O-N 3.11Å
341	V	96.9	Very high	97.4	Very high	46 Å²	46	41.1 Å²	41.1	28%	0.279	23%	0.231	S	C	.	.			trans	-116.2	140.2	-175.1	-176.7	0	0	0	0	112.1	G336 L339 L343 Y368 I442	G336-V341 PolarHBondContact O-N 3.25Å; L339-V341 HydrophobicContact CB-CG2 4.1Å; V341-L343 PolarHBondContact O-N 3.25Å; V341-Y368 HydrophobicContact CG1-CD2 4.42Å; V341-Y368 HydrophobicContact CG1-CE2 4.45Å; V341-I442 HydrophobicContact CB-CD1 4.31Å; V341-I442 HydrophobicContact CB-CG2 4.27Å; V341-I442 HydrophobicContact CG1-CB 4.46Å; V341-I442 HydrophobicContact CG1-CD1 4.32Å; V341-I442 HydrophobicContact CG1-CG2 3.7Å; V341-I442 HydrophobicContact CG2-CB 4.19Å; V341-I442 HydrophobicContact CG2-CG2 4.06Å
342	D	97.4	Very high	97	Very high	99 Å²	99	44.5 Å²	44.5	53%	0.529	25%	0.249	S	C	.	.			trans	-71.5	111.4	166.6	-179.4	5.7	0	0	0	110.4	D344 V345	D342-D344 VanDerWaalsContact C-N 3.26Å; D342-D344 PolarHBondContact O-N 2.99Å; D342-D344 PolarHBondContact OD1-N 2.89Å; D342-V345 HydrophobicContact CB-CG2 3.89Å; D342-V345 WeakPolarHBondContact O-CG2 3.49Å
343	L	98.4	Very high	96.3	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.4	-176.8	-62	-178.3	0	0	0	113.5	V332 V341 V345 Y368 R369 L372 I442	V332-L343 HydrophobicContact CG1-CD1 3.93Å; V332-L343 WeakPolarHBondContact O-CD1 3.47Å; V341-L343 PolarHBondContact O-N 3.25Å; L343-V345 VanDerWaalsContact C-N 3.31Å; L343-Y368 PolarHBondContact O-N 2.82Å; L343-R369 HydrophobicContact CB-CB 3.91Å; L343-R369 WeakPolarHBondContact O-CB 3.32Å; L343-R369 PolarHBondContact O-N 3.4Å; L343-L372 HydrophobicContact CD2-CD1 4.07Å; L343-I442 HydrophobicContact CD2-CD1 3.36Å
344	D	97.6	Very high	95.5	Very high	83 Å²	83	51.2 Å²	51.2	44%	0.444	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.7	-176.1	-65.6	-56.2	0	0	0	112.8	D342 V346 T367 R369	D342-D344 VanDerWaalsContact C-N 3.26Å; D342-D344 PolarHBondContact O-N 2.99Å; D342-D344 PolarHBondContact OD1-N 2.89Å; D344-V346 PolarHBondContact O-N 2.82Å; D344-T367 WeakPolarHBondContact O-CG2 3.2Å; D344-R369 WeakPolarHBondContact OD1-CD 3.32Å; D344-R369 IonicContact OD1-CZ 3.93Å; D344-R369 IonicContact OD1-NE 2.65Å; D344-R369 PolarHBondContact OD1-NE 2.85Å; D344-R369 IonicContact OD1-NH2 3.63Å; D344-R369 IonicContact OD2-CZ 3.68Å; D344-R369 IonicContact OD2-NE 3.83Å; D344-R369 PolarHBondContact OD2-NE 2.82Å; D344-R369 IonicContact OD2-NH2 2.88Å; D344-R369 PolarHBondContact OD2-NH2 3.39Å
345	V	97.4	Very high	94.7	Very high	42 Å²	42	49.7 Å²	49.7	26%	0.255	27%	0.274	S	S	.	.			trans	-62.4	129.2	170.9	179	0	0	0	0	110.3	V250 D342 L343 I347 T367 Y368	V250-V345 HydrophobicContact CG1-CG1 3.7Å; D342-V345 HydrophobicContact CB-CG2 3.89Å; D342-V345 WeakPolarHBondContact O-CG2 3.49Å; L343-V345 VanDerWaalsContact C-N 3.31Å; V345-I347 HydrophobicContact CG1-CG2 3.84Å; V345-T367 VanDerWaalsContact O-CA 3.28Å; V345-T367 WeakPolarHBondContact O-CA 3.42Å; V345-Y368 HydrophobicContact CB-CD2 4.24Å; V345-Y368 HydrophobicContact CB-CE2 4.2Å; V345-Y368 HydrophobicContact CG1-CE2 4.42Å
346	V	98.4	Very high	93.9	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.085	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.2	176.4	-174.7	0	0	0	0	110.6	H251 V254 M256 V259 D344 P365 T367	H251-V346 HydrophobicContact CB-CB 4.49Å; H251-V346 HydrophobicContact CB-CG1 4.38Å; H251-V346 PolarHBondContact N-O 3.02Å; V254-V346 HydrophobicContact CG1-CB 4.09Å; V254-V346 HydrophobicContact CG1-CG1 3.9Å; V254-V346 HydrophobicContact CG1-CG2 4.13Å; M256-V346 HydrophobicContact SD-CG2 4.38Å; V259-V346 HydrophobicContact CG1-CG1 3.98Å; V259-V346 HydrophobicContact CG1-CG2 4.41Å; V259-V346 HydrophobicContact CG2-CG1 3.98Å; D344-V346 PolarHBondContact O-N 2.82Å; V346-P365 HydrophobicContact CG1-CB 4.05Å; V346-T367 HydrophobicContact CG2-CG2 3.93Å
347	I	98.3	Very high	93	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.7	-175.2	63.9	126.1	0	0	0	112.7	L248 K249 V250 V345 L349 P365 T366 Y368	L248-I347 HydrophobicContact CD1-CB 3.85Å; L248-I347 HydrophobicContact CD1-CD1 4.21Å; L248-I347 HydrophobicContact CD1-CG2 3.86Å; K249-I347 CarbonylContact O-C 3.51Å; K249-I347 WeakPolarHBondContact O-CA 3.47Å; V250-I347 HydrophobicContact CG2-CG2 4.24Å; V345-I347 HydrophobicContact CG1-CG2 3.84Å; I347-L349 HydrophobicContact CD1-CD2 4.49Å; I347-L349 HydrophobicContact CD1-CG 4.06Å; I347-P365 CarbonylContact O-C 3.59Å; I347-P365 VanDerWaalsContact O-CA 3.27Å; I347-P365 WeakPolarHBondContact O-CA 3.31Å; I347-T366 PolarHBondContact N-O 2.8Å; I347-T366 PolarHBondContact O-N 3.43Å; I347-T366 VanDerWaalsContact O-O 3.12Å; I347-Y368 HydrophobicContact CD1-CD1 3.9Å; I347-Y368 HydrophobicContact CD1-CE1 3.41Å; I347-Y368 VanDerWaalsContact CD1-CE1 3.41Å; I347-Y368 HydrophobicContact CG1-CD1 4.1Å; I347-Y368 HydrophobicContact CG1-CE1 3.8Å; I347-Y368 HydrophobicContact CG1-CE2 4.48Å; I347-Y368 HydrophobicContact CG2-CD2 4.48Å; I347-Y368 HydrophobicContact CG2-CE1 4.3Å; I347-Y368 HydrophobicContact CG2-CE2 3.72Å
348	S	98.1	Very high	92.4	Very high	7 Å²	7	49.4 Å²	49.4	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140	160.3	-66.1	0	0	0	0	109.1	K249 H251 N350 P365	K249-S348 PolarHBondContact N-O 3.33Å; K249-S348 PolarHBondContact O-N 3.06Å; H251-S348 PolarHBondContact NE2-OG 2.94Å; S348-N350 WeakPolarHBondContact CB-OD1 3.26Å; S348-P365 WeakPolarHBondContact OG-CB 3.29Å
349	L	97.8	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	103.3	166	-70.2	179.9	0	0	0	107.8	Y246 E247 L248 I347 H360 P361 F362 D443 C446 E447	Y246-L349 HydrophobicContact CD1-CB 4.39Å; Y246-L349 HydrophobicContact CG-CB 4.28Å; E247-L349 WeakPolarHBondContact O-CA 3.5Å; L248-L349 HydrophobicContact CB-CD2 4.31Å; L248-L349 HydrophobicContact CD1-CD2 4.21Å; I347-L349 HydrophobicContact CD1-CD2 4.49Å; I347-L349 HydrophobicContact CD1-CG 4.06Å; L349-H360 WeakPolarHBondContact O-CA 3.49Å; L349-H360 PolarHBondContact O-ND1 3.09Å; L349-P361 HydrophobicContact CB-CG 3.78Å; L349-P361 HydrophobicContact CD1-CG 3.73Å; L349-P361 HydrophobicContact CG-CG 4.39Å; L349-P361 WeakPolarHBondContact O-CD 3.41Å; L349-F362 HydrophobicContact CD1-CE1 4.06Å; L349-F362 HydrophobicContact CD1-CZ 3.86Å; L349-D443 HydrophobicContact CD2-CB 4.16Å; L349-C446 HydrophobicContact CD1-CB 4.18Å; L349-E447 HydrophobicContact CD1-CB 4.25Å
350	N	96.4	Very high	92	Very high	44 Å²	44	53.6 Å²	53.6	24%	0.235	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.7	-175.5	-54.5	-39.8	0	0	0	109.6	Y246 E247 S348 L352 H360	Y246-N350 CarbonylContact C-O 3.52Å; Y246-N350 VanDerWaalsContact CA-O 3.23Å; Y246-N350 WeakPolarHBondContact CA-O 3.45Å; E247-N350 PolarHBondContact N-O 3.13Å; E247-N350 PolarHBondContact O-N 2.96Å; S348-N350 WeakPolarHBondContact CB-OD1 3.26Å; N350-L352 PolarHBondContact O-N 3.36Å; N350-H360 PolarHBondContact OD1-CE1 3.33Å
351	N	91.2	Very high	91.7	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.2	178.8	-158.5	-36.1	0	0	0	109.7	Q245 Y246 D353 S356 K358 K359	Q245-N351 PolarHBondContact O-OD1 3.49Å; Y246-N351 HydrophobicContact CD1-CB 3.95Å; Y246-N351 HydrophobicContact CE1-CB 3.77Å; N351-D353 PolarHBondContact O-N 2.93Å; N351-D353 PolarHBondContact OD1-N 3.25Å; N351-S356 PolarHBondContact ND2-OG 2.85Å; N351-K358 WeakPolarHBondContact CB-O 3.45Å; N351-K358 PolarHBondContact ND2-O 3.21Å; N351-K359 PolarHBondContact N-O 2.8Å
352	L	89	Confident	91.7	Very high	100 Å²	100	48.8 Å²	48.8	52%	0.524	25%	0.248	S	C	.	.	S	Bend	trans	-66.8	-23.1	176.3	-71.4	169.9	0	0	0	111.7	R244 Q245 E247 N350 E354	R244-L352 VanDerWaalsContact O-CD1 3.29Å; R244-L352 WeakPolarHBondContact O-CD1 3.5Å; Q245-L352 PolarHBondContact O-N 3.09Å; E247-L352 HydrophobicContact CB-CD2 3.87Å; E247-L352 HydrophobicContact CB-CG 4.46Å; N350-L352 PolarHBondContact O-N 3.36Å; L352-E354 PolarHBondContact O-N 3.39Å
353	D	83.3	Confident	91.7	Very high	50 Å²	50	44.9 Å²	44.9	27%	0.267	23%	0.228	S	C	.	.			trans	-80.5	93.1	167.5	-177.2	3.9	0	0	0	110.1	K78 N351 E355 S356	K78-D353 IonicContact NZ-OD1 3.98Å; K78-D353 IonicContact NZ-OD2 2.98Å; K78-D353 PolarHBondContact NZ-OD2 2.84Å; N351-D353 PolarHBondContact O-N 2.93Å; N351-D353 PolarHBondContact OD1-N 3.25Å; D353-E355 PolarHBondContact O-N 2.76Å; D353-E355 PolarHBondContact OD1-N 2.94Å; D353-E355 VanDerWaalsContact OD1-N 3.16Å; D353-S356 VanDerWaalsContact O-CB 3.26Å; D353-S356 WeakPolarHBondContact O-CB 3.31Å; D353-S356 PolarHBondContact O-N 3.47Å; D353-S356 PolarHBondContact OD1-N 3.4Å
354	E	82.9	Confident	91.6	Very high	166 Å²	166	45 Å²	45	78%	0.776	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.6	179.4	-67.5	-169.3	172.6	0	0	113.4	L352 K359	L352-E354 PolarHBondContact O-N 3.39Å; E354-K359 PolarHBondContact O-NZ 3.28Å
355	E	80	Confident	91.6	Very high	67 Å²	67	42.3 Å²	42.3	31%	0.313	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.4	-178.6	-63.6	-80	166.1	0	0	111.8	K72 K75 T76 D353	K72-E355 WeakPolarHBondContact CE-O 3.42Å; K72-E355 PolarHBondContact NZ-O 3.19Å; K75-E355 IonicContact NZ-OE1 3.97Å; K75-E355 PolarHBondContact NZ-OE1 3.08Å; K75-E355 IonicContact NZ-OE2 3.53Å; K75-E355 PolarHBondContact NZ-OE2 3.41Å; T76-E355 HydrophobicContact CG2-CB 3.75Å; T76-E355 HydrophobicContact CG2-CG 3.62Å; D353-E355 PolarHBondContact O-N 2.76Å; D353-E355 PolarHBondContact OD1-N 2.94Å; D353-E355 VanDerWaalsContact OD1-N 3.16Å
356	S	80.5	Confident	91.7	Very high	21 Å²	21	40.3 Å²	40.3	15%	0.147	20%	0.204	C	C	.	.			trans	-61.3	138	174.5	178.7	0	0	0	0	111.6	N351 D353 K358 K359	N351-S356 PolarHBondContact ND2-OG 2.85Å; D353-S356 VanDerWaalsContact O-CB 3.26Å; D353-S356 WeakPolarHBondContact O-CB 3.31Å; D353-S356 PolarHBondContact O-N 3.47Å; D353-S356 PolarHBondContact OD1-N 3.4Å; S356-K358 VanDerWaalsContact C-N 3.27Å; S356-K358 PolarHBondContact OG-N 3.47Å; S356-K358 VanDerWaalsContact OG-N 3.16Å; S356-K358 PolarHBondContact OG-O 2.94Å; S356-K359 WeakPolarHBondContact O-CD 3.08Å; S356-K359 WeakPolarHBondContact O-CE 3.36Å; S356-K359 PolarHBondContact O-NZ 2.81Å
357	N	80.3	Confident	91.7	Very high	77 Å²	77	40.3 Å²	40.3	41%	0.412	20%	0.204	S	C	.	.	S	Bend	trans	-71.7	-28.5	172.5	-67.4	-9.3	0	0	0	110.7	K72 E116 Y117 K359	K72-N357 PolarHBondContact NZ-OD1 2.86Å; E116-N357 PolarHBondContact OE2-ND2 3.26Å; Y117-N357 PolarHBondContact OH-ND2 3.2Å; N357-K359 PolarHBondContact O-N 3.22Å
358	K	85.3	Confident	91.7	Very high	60 Å²	60	40.8 Å²	40.8	26%	0.261	21%	0.206	S	C	.	.			trans	-83	79.1	176.4	-170.2	172.3	-179.6	175.4	0	110.3	E92 N351 S356 H360	E92-K358 IonicContact OE1-NZ 2.72Å; E92-K358 PolarHBondContact OE1-NZ 3.04Å; N351-K358 WeakPolarHBondContact CB-O 3.45Å; N351-K358 PolarHBondContact ND2-O 3.21Å; S356-K358 VanDerWaalsContact C-N 3.27Å; S356-K358 PolarHBondContact OG-N 3.47Å; S356-K358 VanDerWaalsContact OG-N 3.16Å; S356-K358 PolarHBondContact OG-O 2.94Å; K358-H360 WeakPolarHBondContact CG-O 3.23Å; K358-H360 PolarHBondContact O-N 3.18Å
359	K	90.8	Very high	91.7	Very high	95 Å²	95	44 Å²	44	41%	0.413	22%	0.217	S	C	.	.			trans	-64	-26.6	-177.7	-60.9	-55.6	-176.5	-162	0	114.2	N351 E354 S356 N357	N351-K359 PolarHBondContact N-O 2.8Å; E354-K359 PolarHBondContact O-NZ 3.28Å; S356-K359 WeakPolarHBondContact O-CD 3.08Å; S356-K359 WeakPolarHBondContact O-CE 3.36Å; S356-K359 PolarHBondContact O-NZ 2.81Å; N357-K359 PolarHBondContact O-N 3.22Å
360	H	94.2	Very high	91.8	Very high	60 Å²	60	45 Å²	45	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	-142	153.9	-176.3	-53.6	-61.8	0	0	0	110.1	L349 N350 K358 F362 C364	L349-H360 WeakPolarHBondContact O-CA 3.49Å; L349-H360 PolarHBondContact O-ND1 3.09Å; N350-H360 PolarHBondContact OD1-CE1 3.33Å; K358-H360 WeakPolarHBondContact CG-O 3.23Å; K358-H360 PolarHBondContact O-N 3.18Å; H360-F362 VanDerWaalsContact C-N 3.28Å; H360-F362 WeakPolarHBondContact CB-O 3.24Å; H360-C364 HydrophobicContact CB-CB 4.18Å
361	P	92.2	Very high	91.9	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.071	21%	0.212	C	C	.	.	S	Bend	trans	-70.1	-30.6	175.3	27.2	-29.6	0	0	0	111.6	Y246 L349 R451	Y246-P361 HydrophobicContact CD1-CG 4.37Å; Y246-P361 HydrophobicContact CD2-CG 4.5Å; Y246-P361 HydrophobicContact CE1-CB 4.37Å; Y246-P361 VanDerWaalsContact CE1-CD 3.47Å; Y246-P361 HydrophobicContact CE1-CG 4.31Å; Y246-P361 HydrophobicContact CE2-CB 4.1Å; Y246-P361 HydrophobicContact CE2-CG 4.43Å; Y246-P361 HydrophobicContact CG-CG 4.47Å; L349-P361 HydrophobicContact CB-CG 3.78Å; L349-P361 HydrophobicContact CD1-CG 3.73Å; L349-P361 HydrophobicContact CG-CG 4.39Å; L349-P361 WeakPolarHBondContact O-CD 3.41Å; P361-R451 WeakPolarHBondContact O-CD 3.15Å; P361-R451 PolarHBondContact O-NH1 3.05Å
362	F	95.7	Very high	92.2	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-149	169.7	177.7	48.2	-103.8	0	0	0	110.2	L349 H360 C364 T366 A371 Y375 L376 C446	L349-F362 HydrophobicContact CD1-CE1 4.06Å; L349-F362 HydrophobicContact CD1-CZ 3.86Å; H360-F362 VanDerWaalsContact C-N 3.28Å; H360-F362 WeakPolarHBondContact CB-O 3.24Å; F362-C364 PolarHBondContact O-N 3.3Å; F362-C364 PolarHBondContact O-SG 3.49Å; F362-T366 HydrophobicContact CD2-CG2 3.97Å; F362-T366 HydrophobicContact CE2-CG2 3.69Å; F362-A371 HydrophobicContact CD2-CB 4.19Å; F362-A371 HydrophobicContact CE1-CB 4.29Å; F362-A371 HydrophobicContact CE2-CB 3.69Å; F362-A371 HydrophobicContact CZ-CB 3.74Å; F362-Y375 HydrophobicContact CB-CD2 3.94Å; F362-Y375 HydrophobicContact CB-CG 3.97Å; F362-Y375 AromaticContact CD2-CD2 3.85Å; F362-Y375 HydrophobicContact CD2-CD2 3.85Å; F362-Y375 HydrophobicContact CG-CD2 4.09Å; F362-Y375 HydrophobicContact CG-CG 4.45Å; F362-L376 HydrophobicContact CD1-CD2 3.85Å; F362-L376 HydrophobicContact CD1-CG 4.29Å; F362-L376 HydrophobicContact CE1-CD1 4.12Å; F362-L376 HydrophobicContact CE1-CD2 4.09Å; F362-L376 HydrophobicContact CE1-CG 4.33Å; F362-C446 HydrophobicContact CE1-CB 4.04Å; F362-C446 HydrophobicContact CZ-CB 4.16Å
363	P	97.3	Very high	92.7	Very high	17 Å²	17	38.4 Å²	38.4	11%	0.11	19%	0.19	C	C	.	.	S	Bend	trans	-53.7	121.7	-178.5	-27.9	36.7	0	0	0	113	Y260 I264 T366 Y375	Y260-P363 HydrophobicContact CD1-CB 3.5Å; Y260-P363 HydrophobicContact CD2-CB 4.11Å; Y260-P363 HydrophobicContact CE1-CB 3.78Å; Y260-P363 HydrophobicContact CE2-CB 4.35Å; Y260-P363 HydrophobicContact CG-CB 3.68Å; I264-P363 WeakPolarHBondContact O-CG 3.24Å; P363-T366 WeakPolarHBondContact O-CG2 3.44Å; P363-Y375 HydrophobicContact CB-CE2 4.15Å; P363-Y375 HydrophobicContact CG-CE1 4.03Å; P363-Y375 HydrophobicContact CG-CE2 4.34Å
364	C	96.9	Very high	93.4	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.068	19%	0.188	C	C	.	.	S	Bend	trans	-130.7	153.3	-177.1	-73	0	0	0	0	110.8	Y260 H360 F362	Y260-C364 WeakPolarHBondContact CD2-O 3.42Å; Y260-C364 WeakPolarHBondContact CE2-O 3.48Å; H360-C364 HydrophobicContact CB-CB 4.18Å; F362-C364 PolarHBondContact O-N 3.3Å; F362-C364 PolarHBondContact O-SG 3.49Å
365	P	98.1	Very high	94.1	Very high	26 Å²	26	30.6 Å²	30.6	17%	0.169	15%	0.151	C	C	.	.	S	Bend	cis	-72.3	147.3	-2.5	30.2	-34.4	0	0	0	112.6	K258 Y260 V346 I347 S348	K258-P365 WeakPolarHBondContact O-CG 3.37Å; Y260-P365 PolarHBondContact N-O 3.36Å; V346-P365 HydrophobicContact CG1-CB 4.05Å; I347-P365 CarbonylContact O-C 3.59Å; I347-P365 VanDerWaalsContact O-CA 3.27Å; I347-P365 WeakPolarHBondContact O-CA 3.31Å; S348-P365 WeakPolarHBondContact OG-CB 3.29Å
366	T	98.6	Very high	95	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	171.5	178.8	-164.2	0	0	0	0	110.8	Y260 I347 F362 P363 T370 A371 Y375	Y260-T366 PolarHBondContact O-OG1 2.81Å; I347-T366 PolarHBondContact N-O 2.8Å; I347-T366 PolarHBondContact O-N 3.43Å; I347-T366 VanDerWaalsContact O-O 3.12Å; F362-T366 HydrophobicContact CD2-CG2 3.97Å; F362-T366 HydrophobicContact CE2-CG2 3.69Å; P363-T366 WeakPolarHBondContact O-CG2 3.44Å; T366-T370 VanDerWaalsContact OG1-CB 3.23Å; T366-T370 WeakPolarHBondContact OG1-CB 3.34Å; T366-T370 WeakPolarHBondContact OG1-CG2 3.44Å; T366-A371 HydrophobicContact CG2-CB 4.21Å; T366-Y375 HydrophobicContact CG2-CD2 4.47Å; T366-Y375 HydrophobicContact CG2-CE2 4.2Å
367	T	98.7	Very high	95.8	Very high	14 Å²	14	27.3 Å²	27.3	9%	0.086	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	157.7	173.3	66.2	0	0	0	0	111.3	D344 V345 V346 R369 T370 A371	D344-T367 WeakPolarHBondContact O-CG2 3.2Å; V345-T367 VanDerWaalsContact O-CA 3.28Å; V345-T367 WeakPolarHBondContact O-CA 3.42Å; V346-T367 HydrophobicContact CG2-CG2 3.93Å; T367-R369 PolarHBondContact O-N 2.85Å; T367-T370 PolarHBondContact O-N 2.95Å; T367-T370 WeakPolarHBondContact OG1-CB 3.15Å; T367-T370 PolarHBondContact OG1-N 2.75Å; T367-T370 PolarHBondContact OG1-OG1 2.85Å; T367-A371 PolarHBondContact O-N 3.31Å
368	Y	98.7	Very high	96.7	Very high	11 Å²	11	23.7 Å²	23.7	4%	0.043	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-39	170.1	-66.1	-63.9	0	0	0	111.6	V341 L343 V345 I347 T370 A371 L372 I442 D443	V341-Y368 HydrophobicContact CG1-CD2 4.42Å; V341-Y368 HydrophobicContact CG1-CE2 4.45Å; L343-Y368 PolarHBondContact O-N 2.82Å; V345-Y368 HydrophobicContact CB-CD2 4.24Å; V345-Y368 HydrophobicContact CB-CE2 4.2Å; V345-Y368 HydrophobicContact CG1-CE2 4.42Å; I347-Y368 HydrophobicContact CD1-CD1 3.9Å; I347-Y368 HydrophobicContact CD1-CE1 3.41Å; I347-Y368 VanDerWaalsContact CD1-CE1 3.41Å; I347-Y368 HydrophobicContact CG1-CD1 4.1Å; I347-Y368 HydrophobicContact CG1-CE1 3.8Å; I347-Y368 HydrophobicContact CG1-CE2 4.48Å; I347-Y368 HydrophobicContact CG2-CD2 4.48Å; I347-Y368 HydrophobicContact CG2-CE1 4.3Å; I347-Y368 HydrophobicContact CG2-CE2 3.72Å; Y368-T370 PolarHBondContact O-N 2.77Å; Y368-A371 PolarHBondContact O-N 2.85Å; Y368-L372 WeakPolarHBondContact O-CB 3.3Å; Y368-L372 WeakPolarHBondContact O-CG 3.43Å; Y368-L372 PolarHBondContact O-N 3.31Å; Y368-I442 HydrophobicContact CD1-CD1 4.3Å; Y368-I442 HydrophobicContact CD1-CG1 4.09Å; Y368-I442 HydrophobicContact CD1-CG2 3.92Å; Y368-I442 HydrophobicContact CD2-CG2 4.04Å; Y368-I442 HydrophobicContact CE1-CG1 4.47Å; Y368-I442 HydrophobicContact CE1-CG2 3.58Å; Y368-I442 HydrophobicContact CE2-CG2 3.71Å; Y368-I442 HydrophobicContact CG-CD1 4.07Å; Y368-I442 HydrophobicContact CG-CG1 4.36Å; Y368-I442 HydrophobicContact CG-CG2 4.14Å; Y368-I442 VanDerWaalsContact CZ-CG2 3.46Å; Y368-D443 HydrophobicContact CE1-CB 4.05Å; Y368-D443 WeakPolarHBondContact OH-CB 3.2Å
369	R	98.8	Very high	97.2	Very high	73 Å²	73	22.1 Å²	22.1	28%	0.275	11%	0.11	S	C	.	.	H	α-helix	trans	-55.9	-50.7	175.2	-174.5	179.6	-57.8	-70.3	0.2	111.1	V332 N333 L343 D344 T367 T373	V332-R369 HydrophobicContact CG1-CG 4.35Å; N333-R369 PolarHBondContact OD1-NH1 2.82Å; L343-R369 HydrophobicContact CB-CB 3.91Å; L343-R369 WeakPolarHBondContact O-CB 3.32Å; L343-R369 PolarHBondContact O-N 3.4Å; D344-R369 WeakPolarHBondContact OD1-CD 3.32Å; D344-R369 IonicContact OD1-CZ 3.93Å; D344-R369 IonicContact OD1-NE 2.65Å; D344-R369 PolarHBondContact OD1-NE 2.85Å; D344-R369 IonicContact OD1-NH2 3.63Å; D344-R369 IonicContact OD2-CZ 3.68Å; D344-R369 IonicContact OD2-NE 3.83Å; D344-R369 PolarHBondContact OD2-NE 2.82Å; D344-R369 IonicContact OD2-NH2 2.88Å; D344-R369 PolarHBondContact OD2-NH2 3.39Å; T367-R369 PolarHBondContact O-N 2.85Å; R369-T373 WeakPolarHBondContact O-CB 3.49Å; R369-T373 PolarHBondContact O-N 2.84Å; R369-T373 PolarHBondContact O-OG1 3.44Å
370	T	98.6	Very high	97.4	Very high	21 Å²	21	22.5 Å²	22.5	13%	0.129	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-43.8	179.3	-61.9	0	0	0	0	111.1	T261 T366 T367 Y368 T373 H374 Y375	T261-T370 VanDerWaalsContact C-CG2 3.48Å; T366-T370 VanDerWaalsContact OG1-CB 3.23Å; T366-T370 WeakPolarHBondContact OG1-CB 3.34Å; T366-T370 WeakPolarHBondContact OG1-CG2 3.44Å; T367-T370 PolarHBondContact O-N 2.95Å; T367-T370 WeakPolarHBondContact OG1-CB 3.15Å; T367-T370 PolarHBondContact OG1-N 2.75Å; T367-T370 PolarHBondContact OG1-OG1 2.85Å; Y368-T370 PolarHBondContact O-N 2.77Å; T370-T373 PolarHBondContact O-N 3.24Å; T370-H374 WeakPolarHBondContact O-CB 3.26Å; T370-H374 PolarHBondContact O-N 3.04Å; T370-Y375 HydrophobicContact CG2-CE2 3.99Å
371	A	98.6	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-59.5	-49.4	178	0	0	0	0	0	112.4	F362 T366 T367 Y368 T373 Y375 L376	F362-A371 HydrophobicContact CD2-CB 4.19Å; F362-A371 HydrophobicContact CE1-CB 4.29Å; F362-A371 HydrophobicContact CE2-CB 3.69Å; F362-A371 HydrophobicContact CZ-CB 3.74Å; T366-A371 HydrophobicContact CG2-CB 4.21Å; T367-A371 PolarHBondContact O-N 3.31Å; Y368-A371 PolarHBondContact O-N 2.85Å; A371-T373 VanDerWaalsContact C-N 3.28Å; A371-T373 PolarHBondContact O-N 3.34Å; A371-Y375 HydrophobicContact CB-CD2 4.32Å; A371-Y375 WeakPolarHBondContact O-CA 3.47Å; A371-Y375 WeakPolarHBondContact O-CB 3.49Å; A371-Y375 PolarHBondContact O-N 3.31Å; A371-L376 HydrophobicContact CB-CD1 4.28Å; A371-L376 PolarHBondContact O-N 2.83Å
372	L	98.7	Very high	97.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.115	C	C	.	.	I	π-helix	trans	-68.6	-25.3	177.8	-66.5	171.3	0	0	0	113	N327 V332 L335 L343 Y368 L376 I378 I442 L449	N327-L372 PolarHBondContact ND2-O 2.84Å; V332-L372 HydrophobicContact CG1-CB 3.89Å; V332-L372 HydrophobicContact CG1-CD1 4.31Å; V332-L372 HydrophobicContact CG2-CB 4.09Å; L335-L372 HydrophobicContact CD1-CD2 4.43Å; L343-L372 HydrophobicContact CD2-CD1 4.07Å; Y368-L372 WeakPolarHBondContact O-CB 3.3Å; Y368-L372 WeakPolarHBondContact O-CG 3.43Å; Y368-L372 PolarHBondContact O-N 3.31Å; L372-L376 HydrophobicContact CD2-CD1 4Å; L372-I378 HydrophobicContact CD2-CG2 3.84Å; L372-I442 HydrophobicContact CD1-CD1 4.15Å; L372-L449 HydrophobicContact CD2-CD1 4.34Å
373	T	98.6	Very high	97.4	Very high	23 Å²	23	23.4 Å²	23.4	14%	0.141	12%	0.122	C	C	.	.	I	π-helix	trans	-82.9	-41.1	-180	-59	0	0	0	0	112.3	T326 N327 R369 T370 A371	T326-T373 CarbonylContact C-O 3.59Å; T326-T373 VanDerWaalsContact CA-O 3.3Å; T326-T373 WeakPolarHBondContact CA-O 3.09Å; T326-T373 HydrophobicContact CG2-CG2 4.41Å; N327-T373 PolarHBondContact N-O 2.64Å; R369-T373 WeakPolarHBondContact O-CB 3.49Å; R369-T373 PolarHBondContact O-N 2.84Å; R369-T373 PolarHBondContact O-OG1 3.44Å; T370-T373 PolarHBondContact O-N 3.24Å; A371-T373 VanDerWaalsContact C-N 3.28Å; A371-T373 PolarHBondContact O-N 3.34Å
374	H	98.3	Very high	97	Very high	52 Å²	52	23.1 Å²	23.1	24%	0.241	12%	0.12	C	C	.	.	I	π-helix	trans	-116	-27.1	-167.4	-66.1	-84.4	0	0	0	114.8	T326 T370	T326-H374 WeakPolarHBondContact CG2-CE1 3.1Å; T326-H374 WeakPolarHBondContact CG2-ND1 3.17Å; T370-H374 WeakPolarHBondContact O-CB 3.26Å; T370-H374 PolarHBondContact O-N 3.04Å
375	Y	98.1	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-114.1	-25.1	-164.3	-56.3	-35.3	0	0	0	114.2	G262 E263 F362 P363 T366 T370 A371 R451 L452	G262-Y375 VanDerWaalsContact C-OH 3.26Å; G262-Y375 VanDerWaalsContact CA-OH 3.26Å; G262-Y375 WeakPolarHBondContact CA-OH 3.05Å; G262-Y375 PolarHBondContact N-OH 3.42Å; E263-Y375 PolarHBondContact N-OH 2.96Å; E263-Y375 VanDerWaalsContact O-CE1 3.3Å; E263-Y375 WeakPolarHBondContact O-CE1 3.35Å; E263-Y375 PolarHBondContact O-OH 3Å; F362-Y375 HydrophobicContact CB-CD2 3.94Å; F362-Y375 HydrophobicContact CB-CG 3.97Å; F362-Y375 AromaticContact CD2-CD2 3.85Å; F362-Y375 HydrophobicContact CD2-CD2 3.85Å; F362-Y375 HydrophobicContact CG-CD2 4.09Å; F362-Y375 HydrophobicContact CG-CG 4.45Å; P363-Y375 HydrophobicContact CB-CE2 4.15Å; P363-Y375 HydrophobicContact CG-CE1 4.03Å; P363-Y375 HydrophobicContact CG-CE2 4.34Å; T366-Y375 HydrophobicContact CG2-CD2 4.47Å; T366-Y375 HydrophobicContact CG2-CE2 4.2Å; T370-Y375 HydrophobicContact CG2-CE2 3.99Å; A371-Y375 HydrophobicContact CB-CD2 4.32Å; A371-Y375 WeakPolarHBondContact O-CA 3.47Å; A371-Y375 WeakPolarHBondContact O-CB 3.49Å; A371-Y375 PolarHBondContact O-N 3.31Å; Y375-R451 CarbonylContact O-C 3.39Å; Y375-R451 VanDerWaalsContact O-CA 3.25Å; Y375-R451 WeakPolarHBondContact O-CA 3.49Å; Y375-R451 WeakPolarHBondContact O-CD 3.3Å; Y375-R451 PolarHBondContact O-NE 2.85Å; Y375-R451 VanDerWaalsContact O-NE 3.17Å; Y375-L452 PolarHBondContact O-N 3.33Å
376	L	98.3	Very high	96.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-114.7	140.2	-173.2	-61.9	174	0	0	0	111.5	N327 F362 A371 L372 C446 L449 P450	N327-L376 PolarHBondContact ND2-O 3.17Å; F362-L376 HydrophobicContact CD1-CD2 3.85Å; F362-L376 HydrophobicContact CD1-CG 4.29Å; F362-L376 HydrophobicContact CE1-CD1 4.12Å; F362-L376 HydrophobicContact CE1-CD2 4.09Å; F362-L376 HydrophobicContact CE1-CG 4.33Å; A371-L376 HydrophobicContact CB-CD1 4.28Å; A371-L376 PolarHBondContact O-N 2.83Å; L372-L376 HydrophobicContact CD2-CD1 4Å; L376-C446 HydrophobicContact CD1-CB 3.76Å; L376-C446 VanDerWaalsContact CD1-SG 3.58Å; L376-L449 HydrophobicContact CB-CB 4.37Å; L376-L449 HydrophobicContact CD1-CD1 4.45Å; L376-L449 HydrophobicContact CD2-CB 4.17Å; L376-P450 WeakPolarHBondContact CA-O 3.37Å
377	D	97.7	Very high	96.1	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	12%	0.118	C	C	.	.			trans	-85.4	115.6	170.6	-178.9	1.6	0	0	0	109.8	T379 N380 P450	D377-T379 PolarHBondContact OD1-N 2.9Å; D377-T379 PolarHBondContact OD1-OG1 2.83Å; D377-N380 PolarHBondContact OD1-N 3Å; D377-N380 VanDerWaalsContact OD2-CB 3.31Å; D377-N380 WeakPolarHBondContact OD2-CB 3.36Å; D377-N380 PolarHBondContact OD2-ND2 3.4Å; D377-P450 HydrophobicContact CB-CG 4.23Å; D377-P450 PolarHBondContact N-O 3.36Å
378	I	97.9	Very high	95.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.			trans	-113.9	11.8	179.4	57.5	172.2	0	0	0	111.9	N327 L331 V332 L335 L372 N427 I428 L449	N327-I378 HydrophobicContact CB-CD1 3.88Å; N327-I378 HydrophobicContact CB-CG1 4.13Å; L331-I378 HydrophobicContact CB-CD1 4.4Å; L331-I378 HydrophobicContact CD2-CD1 3.54Å; L331-I378 HydrophobicContact CD2-CG1 3.67Å; L331-I378 HydrophobicContact CG-CD1 3.85Å; L331-I378 HydrophobicContact CG-CG1 4.45Å; V332-I378 HydrophobicContact CG2-CD1 3.87Å; L335-I378 HydrophobicContact CD1-CB 4.03Å; L335-I378 HydrophobicContact CD1-CD1 3.76Å; L335-I378 HydrophobicContact CD1-CG2 3.89Å; L372-I378 HydrophobicContact CD2-CG2 3.84Å; I378-N427 WeakPolarHBondContact O-CB 3.18Å; I378-I428 HydrophobicContact CB-CG2 3.94Å; I378-I428 HydrophobicContact CG2-CG2 4.21Å; I378-L449 HydrophobicContact CG2-CD1 3.8Å
379	T	97.4	Very high	95.4	Very high	28 Å²	28	25.5 Å²	25.5	17%	0.172	13%	0.127	C	C	.	.	S	Bend	trans	-120.5	-29.6	-170.2	60.6	0	0	0	0	114.2	L331 D377 N427 V490	L331-T379 HydrophobicContact CD2-CG2 3.7Å; D377-T379 PolarHBondContact OD1-N 2.9Å; D377-T379 PolarHBondContact OD1-OG1 2.83Å; T379-N427 VanDerWaalsContact O-CB 3.29Å; T379-N427 WeakPolarHBondContact O-CB 3.27Å; T379-V490 HydrophobicContact CG2-CG2 3.57Å; T379-V490 WeakPolarHBondContact OG1-CG2 3.46Å
380	N	95.3	Very high	95.1	Very high	102 Å²	102	22 Å²	22	55%	0.545	11%	0.113	S	C	.	.	S	Bend	trans	-75.4	157.3	171.2	-74.8	-40.8	0	0	0	111.1	D377	D377-N380 PolarHBondContact OD1-N 3Å; D377-N380 VanDerWaalsContact OD2-CB 3.31Å; D377-N380 WeakPolarHBondContact OD2-CB 3.36Å; D377-N380 PolarHBondContact OD2-ND2 3.4Å
381	P	96	Very high	94.9	Very high	40 Å²	40	21 Å²	21	26%	0.26	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-60.5	133.1	175.9	-20.6	32.2	0	0	0	111.8	V421 L422 R426	P381-V421 HydrophobicContact CB-CG1 3.65Å; P381-L422 HydrophobicContact CB-CD2 3.97Å; P381-L422 HydrophobicContact CG-CD2 4.32Å; P381-R426 VanDerWaalsContact CA-O 3.3Å; P381-R426 WeakPolarHBondContact CA-O 3.17Å
382	P	94.3	Very high	94.7	Very high	7 Å²	7	24.7 Å²	24.7	5%	0.045	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-67.3	140.7	-179.9	28.1	-33.4	0	0	0	110.5	V386 L387 Y417 V421 R426 V431	P382-V386 HydrophobicContact CB-CB 4.31Å; P382-V386 HydrophobicContact CB-CG1 4.2Å; P382-L387 HydrophobicContact CB-CD2 4.44Å; P382-L387 HydrophobicContact CG-CD2 4Å; P382-Y417 PolarHBondContact O-OH 3.44Å; P382-V421 HydrophobicContact CG-CG1 4.42Å; P382-R426 WeakPolarHBondContact CD-O 3.27Å; P382-V431 HydrophobicContact CG-CG2 3.99Å
383	R	90.1	Very high	94.6	Very high	48 Å²	48	27.5 Å²	27.5	18%	0.181	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-72.1	162.8	178.4	-65.8	-179.3	-173.7	-148	18.3	112	E93 E214 N385 V386 L387	E93-R383 WeakPolarHBondContact OE1-CD 3.39Å; E93-R383 IonicContact OE1-CZ 3.89Å; E93-R383 IonicContact OE1-NE 2.69Å; E93-R383 IonicContact OE1-NH1 3.94Å; E93-R383 WeakPolarHBondContact OE2-CD 3.27Å; E93-R383 IonicContact OE2-CZ 3.64Å; E93-R383 IonicContact OE2-NE 3.51Å; E93-R383 PolarHBondContact OE2-NE 3.02Å; E93-R383 IonicContact OE2-NH1 3.67Å; E93-R383 PolarHBondContact OE2-NH1 2.81Å; E93-R383 IonicContact OE2-NH2 2.74Å; E93-R383 PolarHBondContact OE2-NH2 3.15Å; E93-R383 VanDerWaalsContact OE2-NH2 3.13Å; E214-R383 IonicContact OE2-NH1 3.3Å; E214-R383 PolarHBondContact OE2-NH1 2.9Å; R383-N385 VanDerWaalsContact C-N 3.33Å; R383-N385 WeakPolarHBondContact CB-OD1 3.41Å; R383-N385 PolarHBondContact O-N 3.12Å; R383-V386 WeakPolarHBondContact O-CB 3.4Å; R383-V386 PolarHBondContact O-N 2.86Å; R383-V386 VanDerWaalsContact O-N 3.08Å; R383-L387 PolarHBondContact O-N 3.13Å; R383-L387 VanDerWaalsContact O-N 3.17Å
384	T	90.5	Very high	94.5	Very high	10 Å²	10	26.7 Å²	26.7	6%	0.061	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-38.6	-176.3	54.6	0	0	0	0	113.2	E214 I218 V386 L387 Y388 A407 Y417	E214-T384 HydrophobicContact CG-CG2 4.28Å; E214-T384 PolarHBondContact OE1-OG1 3.26Å; E214-T384 VanDerWaalsContact OE1-OG1 3.07Å; I218-T384 HydrophobicContact CD1-CG2 4.06Å; I218-T384 WeakPolarHBondContact CD1-OG1 3.29Å; T384-V386 VanDerWaalsContact C-N 3.34Å; T384-V386 PolarHBondContact O-N 3.14Å; T384-L387 PolarHBondContact O-N 3Å; T384-Y388 WeakPolarHBondContact O-CB 3.38Å; T384-Y388 PolarHBondContact O-N 3Å; T384-A407 WeakPolarHBondContact O-CB 3.35Å; T384-Y417 HydrophobicContact CG2-CD1 4.03Å; T384-Y417 HydrophobicContact CG2-CD2 4.02Å; T384-Y417 HydrophobicContact CG2-CE1 3.89Å; T384-Y417 HydrophobicContact CG2-CE2 3.9Å; T384-Y417 HydrophobicContact CG2-CG 4.09Å
385	N	87.7	Confident	94.5	Very high	34 Å²	34	29 Å²	29	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-40.4	174.4	61	-35	0	0	0	112.4	E93 R383 Y388 E389	E93-N385 PolarHBondContact OE1-ND2 3.03Å; R383-N385 VanDerWaalsContact C-N 3.33Å; R383-N385 WeakPolarHBondContact CB-OD1 3.41Å; R383-N385 PolarHBondContact O-N 3.12Å; N385-Y388 PolarHBondContact O-N 2.53Å; N385-E389 WeakPolarHBondContact O-CG 3.42Å; N385-E389 PolarHBondContact O-N 3.35Å
386	V	91.9	Very high	94.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-46.9	175.5	-178.7	0	0	0	0	109.4	P382 R383 T384 Y388 E389 L390 L448	P382-V386 HydrophobicContact CB-CB 4.31Å; P382-V386 HydrophobicContact CB-CG1 4.2Å; R383-V386 WeakPolarHBondContact O-CB 3.4Å; R383-V386 PolarHBondContact O-N 2.86Å; R383-V386 VanDerWaalsContact O-N 3.08Å; T384-V386 VanDerWaalsContact C-N 3.34Å; T384-V386 PolarHBondContact O-N 3.14Å; V386-Y388 VanDerWaalsContact C-N 3.35Å; V386-Y388 PolarHBondContact O-N 3.26Å; V386-E389 PolarHBondContact O-N 3.13Å; V386-L390 HydrophobicContact CG1-CD1 3.72Å; V386-L390 HydrophobicContact CG1-CG 4.21Å; V386-L390 VanDerWaalsContact O-CB 3.27Å; V386-L390 WeakPolarHBondContact O-CB 3.47Å; V386-L390 WeakPolarHBondContact O-CG 3.3Å; V386-L390 PolarHBondContact O-N 2.89Å; V386-L448 HydrophobicContact CG1-CB 4.21Å; V386-L448 HydrophobicContact CG2-CB 4.32Å; V386-L448 WeakPolarHBondContact CG2-O 3.5Å
387	L	93.5	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-41.2	177	-60.3	178	0	0	0	112.4	P382 R383 T384 L390 A391 M403 M406 Y417 V421 V431	P382-L387 HydrophobicContact CB-CD2 4.44Å; P382-L387 HydrophobicContact CG-CD2 4Å; R383-L387 PolarHBondContact O-N 3.13Å; R383-L387 VanDerWaalsContact O-N 3.17Å; T384-L387 PolarHBondContact O-N 3Å; L387-L390 PolarHBondContact O-N 3.11Å; L387-A391 WeakPolarHBondContact O-CB 3.3Å; L387-A391 PolarHBondContact O-N 3.5Å; L387-M403 HydrophobicContact CB-CE 4.33Å; L387-M403 HydrophobicContact CD2-CE 3.94Å; L387-M403 WeakPolarHBondContact O-CE 3.44Å; L387-M406 HydrophobicContact CD1-CB 4.23Å; L387-M406 HydrophobicContact CD1-CE 4.33Å; L387-M406 HydrophobicContact CD1-SD 4.46Å; L387-Y417 HydrophobicContact CD1-CD2 3.82Å; L387-Y417 HydrophobicContact CD1-CE2 3.87Å; L387-V421 HydrophobicContact CD1-CG2 3.94Å; L387-V431 HydrophobicContact CD2-CG1 4.32Å
388	Y	91.4	Very high	94.3	Very high	60 Å²	60	42.5 Å²	42.5	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-51.7	177.4	-175.7	-92.7	0	0	0	112	T384 N385 V386 L390 A391 A407	T384-Y388 WeakPolarHBondContact O-CB 3.38Å; T384-Y388 PolarHBondContact O-N 3Å; N385-Y388 PolarHBondContact O-N 2.53Å; V386-Y388 VanDerWaalsContact C-N 3.35Å; V386-Y388 PolarHBondContact O-N 3.26Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.33Å; Y388-A391 WeakPolarHBondContact O-CB 3.43Å; Y388-A391 PolarHBondContact O-N 3.5Å; Y388-A407 HydrophobicContact CD2-CB 3.97Å; Y388-A407 HydrophobicContact CG-CB 4.29Å
389	E	90.9	Very high	94.2	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-32.8	-177.9	-67	-75.3	-174.3	0	0	111.5	K100 S242 N385 V386 Q392 L448	K100-E389 IonicContact NZ-OE1 3.37Å; K100-E389 PolarHBondContact NZ-OE1 3.16Å; S242-E389 WeakPolarHBondContact CB-OE2 3.43Å; S242-E389 PolarHBondContact OG-OE2 3.07Å; N385-E389 WeakPolarHBondContact O-CG 3.42Å; N385-E389 PolarHBondContact O-N 3.35Å; V386-E389 PolarHBondContact O-N 3.13Å; E389-Q392 WeakPolarHBondContact O-CG 3.24Å; E389-Q392 PolarHBondContact O-NE2 3.35Å; E389-L448 HydrophobicContact CB-CD1 3.77Å; E389-L448 HydrophobicContact CB-CD2 3.92Å; E389-L448 HydrophobicContact CG-CD2 3.97Å
390	L	94.3	Very high	94.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-75.8	-24.1	177.5	-69.7	-177.7	0	0	0	113.5	V386 L387 Y388 Q392 Y393 M403 I428 L438 P440 L445 L448	V386-L390 HydrophobicContact CG1-CD1 3.72Å; V386-L390 HydrophobicContact CG1-CG 4.21Å; V386-L390 VanDerWaalsContact O-CB 3.27Å; V386-L390 WeakPolarHBondContact O-CB 3.47Å; V386-L390 WeakPolarHBondContact O-CG 3.3Å; V386-L390 PolarHBondContact O-N 2.89Å; L387-L390 PolarHBondContact O-N 3.11Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.33Å; L390-Q392 PolarHBondContact O-N 2.97Å; L390-Y393 HydrophobicContact CD2-CD2 4.25Å; L390-Y393 WeakPolarHBondContact O-CB 3.14Å; L390-Y393 PolarHBondContact O-N 3.43Å; L390-M403 HydrophobicContact CB-CE 3.77Å; L390-I428 HydrophobicContact CD1-CD1 3.87Å; L390-L438 HydrophobicContact CB-CD1 4.2Å; L390-L438 VanDerWaalsContact O-CD1 3.22Å; L390-L438 WeakPolarHBondContact O-CD1 3.15Å; L390-P440 HydrophobicContact CD2-CB 3.57Å; L390-P440 HydrophobicContact CD2-CG 3.97Å; L390-L445 HydrophobicContact CD1-CD1 3.93Å; L390-L445 HydrophobicContact CD2-CD1 4.26Å; L390-L448 HydrophobicContact CD2-CD1 3.77Å; L390-L448 HydrophobicContact CG-CD1 4Å
391	A	94.2	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56.8	-28.7	-176.4	0	0	0	0	0	113.6	L387 Y388 Y393 A394 Q400 M403 R404	L387-A391 WeakPolarHBondContact O-CB 3.3Å; L387-A391 PolarHBondContact O-N 3.5Å; Y388-A391 WeakPolarHBondContact O-CB 3.43Å; Y388-A391 PolarHBondContact O-N 3.5Å; A391-Y393 PolarHBondContact O-N 3.33Å; A391-A394 PolarHBondContact O-N 3.38Å; A391-Q400 WeakPolarHBondContact O-CG 3.3Å; A391-Q400 PolarHBondContact O-NE2 3.17Å; A391-M403 HydrophobicContact CB-CB 3.69Å; A391-M403 HydrophobicContact CB-SD 4.43Å; A391-R404 HydrophobicContact CB-CG 3.78Å
392	Q	93.7	Very high	94	Very high	77 Å²	77	48.4 Å²	48.4	36%	0.36	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.8	-18.7	176.8	73.3	-170.7	-51.5	0	0	113.7	S242 E389 L390	S242-Q392 PolarHBondContact OG-NE2 2.96Å; E389-Q392 WeakPolarHBondContact O-CG 3.24Å; E389-Q392 PolarHBondContact O-NE2 3.35Å; L390-Q392 PolarHBondContact O-N 2.97Å
393	Y	96	Very high	93.9	Very high	60 Å²	60	48.1 Å²	48.1	24%	0.235	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-98.3	2.6	179.9	-54.1	-65.1	0	0	0	113.6	L390 A391 K439 P440 P441 H444	L390-Y393 HydrophobicContact CD2-CD2 4.25Å; L390-Y393 WeakPolarHBondContact O-CB 3.14Å; L390-Y393 PolarHBondContact O-N 3.43Å; A391-Y393 PolarHBondContact O-N 3.33Å; Y393-K439 PolarHBondContact O-N 2.88Å; Y393-P440 HydrophobicContact CD2-CB 3.58Å; Y393-P440 HydrophobicContact CE2-CB 4.25Å; Y393-P440 HydrophobicContact CG-CB 3.93Å; Y393-P441 VanDerWaalsContact CE1-CD 3.48Å; Y393-P441 HydrophobicContact CE1-CG 4.03Å; Y393-H444 AromaticContact CE2-ND1 3.41Å; Y393-H444 WeakPolarHBondContact CE2-ND1 3.36Å; Y393-H444 AromaticContact CZ-ND1 3.53Å; Y393-H444 PolarHBondContact OH-ND1 3.33Å
394	A	97.1	Very high	94	Very high	7 Å²	7	50.4 Å²	50.4	6%	0.058	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-83.6	121.4	169.6	0	0	0	0	0	109.6	A391 E399 Q400 M403 L438	A391-A394 PolarHBondContact O-N 3.38Å; A394-E399 HydrophobicContact CB-CB 4.24Å; A394-Q400 HydrophobicContact CB-CB 3.97Å; A394-M403 HydrophobicContact CB-SD 4.49Å; A394-L438 HydrophobicContact CB-CD1 4.33Å
395	S	97.4	Very high	94.2	Very high	100 Å²	100	54 Å²	54	70%	0.699	27%	0.266	S	S	*	.			trans	-85.3	-21.7	-179.3	50.9	0	0	0	0	113.6	P397 S437	S395-P397 WeakPolarHBondContact O-CD 3.23Å; S395-S437 PolarHBondContact N-O 2.95Å; S395-S437 VanDerWaalsContact N-O 3.12Å; S395-S437 PolarHBondContact N-OG 3.49Å; S395-S437 WeakPolarHBondContact OG-CB 3.28Å; S395-S437 PolarHBondContact OG-O 2.96Å; S395-S437 VanDerWaalsContact OG-O 3.14Å
396	D	97.9	Very high	94.4	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-81	119.5	168.3	-176.8	-11.7	0	0	0	109.3	K398 E399 Q400 S437	D396-K398 PolarHBondContact O-N 3.11Å; D396-K398 VanDerWaalsContact O-N 3.13Å; D396-K398 WeakPolarHBondContact OD1-CB 3.09Å; D396-K398 PolarHBondContact OD1-N 3.22Å; D396-E399 HydrophobicContact CB-CB 4.2Å; D396-E399 HydrophobicContact CB-CG 4.09Å; D396-E399 PolarHBondContact O-N 3.17Å; D396-E399 VanDerWaalsContact O-N 3.13Å; D396-Q400 PolarHBondContact O-N 2.87Å; D396-S437 WeakPolarHBondContact CB-OG 3.42Å; D396-S437 VanDerWaalsContact N-CB 3.34Å; D396-S437 PolarHBondContact N-OG 2.92Å
397	P	96.7	Very high	94.1	Very high	92 Å²	92	53.3 Å²	53.3	60%	0.597	26%	0.264	S	S	*	.	H	α-helix	trans	-53.8	-32.3	177	-27	35.6	0	0	0	113.9	S395 E401	S395-P397 WeakPolarHBondContact O-CD 3.23Å; P397-E401 VanDerWaalsContact O-CB 3.29Å; P397-E401 WeakPolarHBondContact O-CB 3.19Å; P397-E401 PolarHBondContact O-N 3.32Å
398	K	96.4	Very high	93.7	Very high	148 Å²	148	55.1 Å²	55.1	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-71.1	-42.3	179.3	-67.4	178.3	-179.8	174.8	0	112.1	D396 N402	D396-K398 PolarHBondContact O-N 3.11Å; D396-K398 VanDerWaalsContact O-N 3.13Å; D396-K398 WeakPolarHBondContact OD1-CB 3.09Å; D396-K398 PolarHBondContact OD1-N 3.22Å; K398-N402 VanDerWaalsContact O-CB 3.3Å; K398-N402 WeakPolarHBondContact O-CB 3.15Å; K398-N402 PolarHBondContact O-N 3.29Å; K398-N402 PolarHBondContact O-ND2 2.94Å; K398-N402 VanDerWaalsContact O-ND2 3.11Å
399	E	95.8	Very high	93.3	Very high	28 Å²	28	54.2 Å²	54.2	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-44.7	175.7	-69.1	-176.5	-175.7	0	0	110.1	A394 D396 E401 N402 M403 M435 P436 S437	A394-E399 HydrophobicContact CB-CB 4.24Å; D396-E399 HydrophobicContact CB-CB 4.2Å; D396-E399 HydrophobicContact CB-CG 4.09Å; D396-E399 PolarHBondContact O-N 3.17Å; D396-E399 VanDerWaalsContact O-N 3.13Å; E399-E401 PolarHBondContact O-N 3Å; E399-N402 PolarHBondContact O-N 3.32Å; E399-M403 WeakPolarHBondContact O-CG 3.5Å; E399-M403 PolarHBondContact O-N 3.41Å; E399-M435 HydrophobicContact CG-CB 4.43Å; E399-M435 HydrophobicContact CG-CG 4.37Å; E399-M435 VanDerWaalsContact OE2-C 3.29Å; E399-M435 WeakPolarHBondContact OE2-CA 3.33Å; E399-M435 WeakPolarHBondContact OE2-CB 3.48Å; E399-P436 VanDerWaalsContact OE1-CD 3.29Å; E399-P436 WeakPolarHBondContact OE1-CD 3.47Å; E399-S437 WeakPolarHBondContact OE2-CA 3.36Å; E399-S437 WeakPolarHBondContact OE2-CB 3.49Å; E399-S437 PolarHBondContact OE2-N 3.02Å; E399-S437 PolarHBondContact OE2-OG 3.14Å
400	Q	95.4	Very high	93.1	Very high	59 Å²	59	55.2 Å²	55.2	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-50.3	175.2	176.3	168.6	83.8	0	0	112.4	A391 A394 D396 N402 M403 R404	A391-Q400 WeakPolarHBondContact O-CG 3.3Å; A391-Q400 PolarHBondContact O-NE2 3.17Å; A394-Q400 HydrophobicContact CB-CB 3.97Å; D396-Q400 PolarHBondContact O-N 2.87Å; Q400-N402 PolarHBondContact O-N 3.18Å; Q400-M403 PolarHBondContact O-N 2.85Å; Q400-R404 WeakPolarHBondContact O-CG 3.35Å; Q400-R404 PolarHBondContact O-N 2.87Å
401	E	94.4	Very high	92.9	Very high	135 Å²	135	59.9 Å²	59.9	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-62.3	-43	178.9	-173.7	-179	176.7	0	0	111.3	P397 E399 M403 R404 K405	P397-E401 VanDerWaalsContact O-CB 3.29Å; P397-E401 WeakPolarHBondContact O-CB 3.19Å; P397-E401 PolarHBondContact O-N 3.32Å; E399-E401 PolarHBondContact O-N 3Å; E401-M403 VanDerWaalsContact C-N 3.35Å; E401-M403 PolarHBondContact O-N 3.18Å; E401-R404 PolarHBondContact O-N 3.44Å; E401-K405 VanDerWaalsContact O-CB 3.28Å; E401-K405 WeakPolarHBondContact O-CB 3.3Å; E401-K405 PolarHBondContact O-N 3.07Å
402	N	93.8	Very high	92.8	Very high	73 Å²	73	65.4 Å²	65.4	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-41.7	177	-77	-28.7	0	0	0	112.2	K398 E399 Q400 K405 M406	K398-N402 VanDerWaalsContact O-CB 3.3Å; K398-N402 WeakPolarHBondContact O-CB 3.15Å; K398-N402 PolarHBondContact O-N 3.29Å; K398-N402 PolarHBondContact O-ND2 2.94Å; K398-N402 VanDerWaalsContact O-ND2 3.11Å; E399-N402 PolarHBondContact O-N 3.32Å; Q400-N402 PolarHBondContact O-N 3.18Å; N402-K405 PolarHBondContact O-N 3.38Å; N402-M406 WeakPolarHBondContact O-CG 3.41Å; N402-M406 PolarHBondContact O-N 3.17Å
403	M	93.4	Very high	92.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-45	176.1	-70	-176.1	82.8	0	0	111.9	L387 L390 A391 A394 E399 Q400 E401 K405 M406 A407 M435 L438	L387-M403 HydrophobicContact CB-CE 4.33Å; L387-M403 HydrophobicContact CD2-CE 3.94Å; L387-M403 WeakPolarHBondContact O-CE 3.44Å; L390-M403 HydrophobicContact CB-CE 3.77Å; A391-M403 HydrophobicContact CB-CB 3.69Å; A391-M403 HydrophobicContact CB-SD 4.43Å; A394-M403 HydrophobicContact CB-SD 4.49Å; E399-M403 WeakPolarHBondContact O-CG 3.5Å; E399-M403 PolarHBondContact O-N 3.41Å; Q400-M403 PolarHBondContact O-N 2.85Å; E401-M403 VanDerWaalsContact C-N 3.35Å; E401-M403 PolarHBondContact O-N 3.18Å; M403-K405 VanDerWaalsContact C-N 3.3Å; M403-K405 PolarHBondContact O-N 2.89Å; M403-M406 HydrophobicContact CG-CE 4.34Å; M403-M406 PolarHBondContact O-N 3.46Å; M403-A407 PolarHBondContact O-N 3.19Å; M403-A407 VanDerWaalsContact O-N 3.16Å; M403-M435 HydrophobicContact CG-CE 3.93Å; M403-M435 HydrophobicContact CG-SD 3.62Å; M403-M435 HydrophobicContact SD-SD 3.85Å; M403-L438 HydrophobicContact CE-CD1 4.29Å; M403-L438 HydrophobicContact CE-CD2 3.7Å; M403-L438 HydrophobicContact SD-CD1 4.07Å; M403-L438 HydrophobicContact SD-CD2 3.9Å; M403-L438 HydrophobicContact SD-CG 4.49Å
404	R	92.6	Very high	92.4	Very high	96 Å²	96	61.2 Å²	61.2	36%	0.362	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-39.9	175.6	-69.3	-176.6	-174.1	-75.2	-1.3	111.6	A391 Q400 E401 A407 S408	A391-R404 HydrophobicContact CB-CG 3.78Å; Q400-R404 WeakPolarHBondContact O-CG 3.35Å; Q400-R404 PolarHBondContact O-N 2.87Å; E401-R404 PolarHBondContact O-N 3.44Å; R404-A407 PolarHBondContact O-N 3.18Å; R404-S408 PolarHBondContact O-N 2.68Å
405	K	92.7	Very high	92.2	Very high	87 Å²	87	63.8 Å²	63.8	38%	0.378	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-45.4	177	-172.6	173.9	-177.9	174.5	0	111.8	E401 N402 M403 A407 S408 G413 L416	E401-K405 VanDerWaalsContact O-CB 3.28Å; E401-K405 WeakPolarHBondContact O-CB 3.3Å; E401-K405 PolarHBondContact O-N 3.07Å; N402-K405 PolarHBondContact O-N 3.38Å; M403-K405 VanDerWaalsContact C-N 3.3Å; M403-K405 PolarHBondContact O-N 2.89Å; K405-A407 PolarHBondContact O-N 3.31Å; K405-S408 WeakPolarHBondContact O-CB 3.35Å; K405-S408 PolarHBondContact O-N 3Å; K405-S408 PolarHBondContact O-OG 2.91Å; K405-G413 WeakPolarHBondContact O-CA 3.44Å; K405-L416 HydrophobicContact CD-CD2 4.34Å
406	M	92	Very high	92.1	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-27	174.9	-75.6	-171.9	-70.6	0	0	113.2	L387 N402 M403 L416 Y417 W420 V421 M435	L387-M406 HydrophobicContact CD1-CB 4.23Å; L387-M406 HydrophobicContact CD1-CE 4.33Å; L387-M406 HydrophobicContact CD1-SD 4.46Å; N402-M406 WeakPolarHBondContact O-CG 3.41Å; N402-M406 PolarHBondContact O-N 3.17Å; M403-M406 HydrophobicContact CG-CE 4.34Å; M403-M406 PolarHBondContact O-N 3.46Å; M406-L416 HydrophobicContact CG-CB 4.19Å; M406-L416 HydrophobicContact CG-CD2 3.71Å; M406-L416 HydrophobicContact CG-CG 3.64Å; M406-L416 HydrophobicContact SD-CG 4.2Å; M406-Y417 HydrophobicContact CB-CD2 4.47Å; M406-W420 HydrophobicContact CE-CE3 3.73Å; M406-W420 HydrophobicContact CE-CZ3 3.85Å; M406-W420 HydrophobicContact SD-CB 4.3Å; M406-W420 HydrophobicContact SD-CD2 4.22Å; M406-W420 HydrophobicContact SD-CE3 3.55Å; M406-W420 VanDerWaalsContact SD-CE3 3.55Å; M406-W420 HydrophobicContact SD-CZ3 4.25Å; M406-V421 HydrophobicContact SD-CG2 3.84Å; M406-M435 HydrophobicContact CE-CE 3.77Å
407	A	86.9	Confident	92	Very high	17 Å²	17	59.1 Å²	59.1	14%	0.14	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.7	176.4	0	0	0	0	0	114.6	T384 Y388 M403 R404 K405	T384-A407 WeakPolarHBondContact O-CB 3.35Å; Y388-A407 HydrophobicContact CD2-CB 3.97Å; Y388-A407 HydrophobicContact CG-CB 4.29Å; M403-A407 PolarHBondContact O-N 3.19Å; M403-A407 VanDerWaalsContact O-N 3.16Å; R404-A407 PolarHBondContact O-N 3.18Å; K405-A407 PolarHBondContact O-N 3.31Å
408	S	85.1	Confident	91.9	Very high	39 Å²	39	58 Å²	58	27%	0.273	30%	0.3	S	S	.	.	S	Bend	trans	-82.8	158.1	178.5	75.2	0	0	0	0	112.1	R404 K405 S410	R404-S408 PolarHBondContact O-N 2.68Å; K405-S408 WeakPolarHBondContact O-CB 3.35Å; K405-S408 PolarHBondContact O-N 3Å; K405-S408 PolarHBondContact O-OG 2.91Å; S408-S410 VanDerWaalsContact C-N 3.25Å; S408-S410 PolarHBondContact O-N 2.72Å; S408-S410 PolarHBondContact OG-N 2.82Å; S408-S410 PolarHBondContact OG-OG 2.9Å
409	S	82.5	Confident	91.8	Very high	41 Å²	41	55.7 Å²	55.7	29%	0.287	30%	0.295	S	S	.	.			trans	-81.7	2.4	171.2	57.5	0	0	0	0	114.7	E222 K414	E222-S409 WeakPolarHBondContact OE1-CB 3.25Å; E222-S409 PolarHBondContact OE1-OG 3.47Å; E222-S409 WeakPolarHBondContact OE2-CB 3.46Å; E222-S409 PolarHBondContact OE2-OG 2.96Å; S409-K414 VanDerWaalsContact O-CE 3.29Å; S409-K414 WeakPolarHBondContact O-CE 3.45Å
410	S	87.3	Confident	91.8	Very high	36 Å²	36	56.6 Å²	56.6	25%	0.252	30%	0.297	S	S	.	.	S	Bend	trans	-59.7	143.1	176.5	66.1	0	0	0	0	110.9	S408 E412 G413 K414	S408-S410 VanDerWaalsContact C-N 3.25Å; S408-S410 PolarHBondContact O-N 2.72Å; S408-S410 PolarHBondContact OG-N 2.82Å; S408-S410 PolarHBondContact OG-OG 2.9Å; S410-E412 PolarHBondContact O-N 2.82Å; S410-G413 PolarHBondContact O-N 3.44Å; S410-G413 PolarHBondContact OG-N 3.29Å; S410-K414 WeakPolarHBondContact O-CG 3.39Å; S410-K414 PolarHBondContact O-N 3.17Å
411	P	89.7	Confident	91.9	Very high	98 Å²	98	53.8 Å²	53.8	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-53.3	-39.3	176.7	-27.6	35.6	0	0	0	113	A415	P411-A415 VanDerWaalsContact O-CB 3.31Å; P411-A415 WeakPolarHBondContact O-CB 3.47Å; P411-A415 PolarHBondContact O-N 3.39Å
412	E	92.5	Very high	91.9	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-38.9	177.5	-60.4	74	-161.4	0	0	112.1	S410 L416	S410-E412 PolarHBondContact O-N 2.82Å; E412-L416 VanDerWaalsContact O-CB 3.29Å; E412-L416 WeakPolarHBondContact O-CB 3.4Å; E412-L416 PolarHBondContact O-N 3.23Å
413	G	91.3	Very high	91.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-47.6	176	0	0	0	0	0	112.6	K405 S410 L416 Y417	K405-G413 WeakPolarHBondContact O-CA 3.44Å; S410-G413 PolarHBondContact O-N 3.44Å; S410-G413 PolarHBondContact OG-N 3.29Å; G413-L416 WeakPolarHBondContact O-CB 3.22Å; G413-L416 PolarHBondContact O-N 2.92Å; G413-Y417 PolarHBondContact O-N 2.99Å
414	K	89.2	Confident	92	Very high	49 Å²	49	49.2 Å²	49.2	21%	0.213	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-47.8	175	-70.7	175.8	167.2	-161.7	0	111.8	E215 S219 S409 S410 L416 Y417 Q418	E215-K414 HydrophobicContact CG-CD 4.12Å; E215-K414 VanDerWaalsContact OE1-CD 3.31Å; E215-K414 WeakPolarHBondContact OE1-CD 3.5Å; E215-K414 WeakPolarHBondContact OE1-CE 3.29Å; E215-K414 IonicContact OE1-NZ 3.03Å; E215-K414 PolarHBondContact OE1-NZ 2.64Å; S219-K414 PolarHBondContact OG-NZ 3.21Å; S409-K414 VanDerWaalsContact O-CE 3.29Å; S409-K414 WeakPolarHBondContact O-CE 3.45Å; S410-K414 WeakPolarHBondContact O-CG 3.39Å; S410-K414 PolarHBondContact O-N 3.17Å; K414-L416 VanDerWaalsContact C-N 3.3Å; K414-L416 PolarHBondContact O-N 3.06Å; K414-Y417 PolarHBondContact O-N 3.16Å; K414-Q418 WeakPolarHBondContact O-CB 3.1Å; K414-Q418 PolarHBondContact O-N 3.34Å
415	A	94	Very high	92.2	Very high	61 Å²	61	46.2 Å²	46.2	50%	0.504	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-39	177.1	0	0	0	0	0	112.2	P411 N419	P411-A415 VanDerWaalsContact O-CB 3.31Å; P411-A415 WeakPolarHBondContact O-CB 3.47Å; P411-A415 PolarHBondContact O-N 3.39Å; A415-N419 VanDerWaalsContact O-CB 3.3Å; A415-N419 WeakPolarHBondContact O-CB 3.41Å; A415-N419 PolarHBondContact O-N 3.03Å
416	L	95.4	Very high	92.4	Very high	52 Å²	52	43.5 Å²	43.5	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-46.2	176.3	-177.6	61.7	0	0	0	111.7	K405 M406 E412 G413 K414 N419 W420	K405-L416 HydrophobicContact CD-CD2 4.34Å; M406-L416 HydrophobicContact CG-CB 4.19Å; M406-L416 HydrophobicContact CG-CD2 3.71Å; M406-L416 HydrophobicContact CG-CG 3.64Å; M406-L416 HydrophobicContact SD-CG 4.2Å; E412-L416 VanDerWaalsContact O-CB 3.29Å; E412-L416 WeakPolarHBondContact O-CB 3.4Å; E412-L416 PolarHBondContact O-N 3.23Å; G413-L416 WeakPolarHBondContact O-CB 3.22Å; G413-L416 PolarHBondContact O-N 2.92Å; K414-L416 VanDerWaalsContact C-N 3.3Å; K414-L416 PolarHBondContact O-N 3.06Å; L416-N419 PolarHBondContact O-N 3.48Å; L416-W420 HydrophobicContact CD1-CB 4.3Å; L416-W420 WeakPolarHBondContact O-CB 3.34Å; L416-W420 PolarHBondContact O-N 3.22Å
417	Y	94.8	Very high	92.7	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-48	176.1	174.8	-107.4	0	0	0	111.6	P382 T384 L387 M406 G413 K414 N419 V421 L422	P382-Y417 PolarHBondContact O-OH 3.44Å; T384-Y417 HydrophobicContact CG2-CD1 4.03Å; T384-Y417 HydrophobicContact CG2-CD2 4.02Å; T384-Y417 HydrophobicContact CG2-CE1 3.89Å; T384-Y417 HydrophobicContact CG2-CE2 3.9Å; T384-Y417 HydrophobicContact CG2-CG 4.09Å; L387-Y417 HydrophobicContact CD1-CD2 3.82Å; L387-Y417 HydrophobicContact CD1-CE2 3.87Å; M406-Y417 HydrophobicContact CB-CD2 4.47Å; G413-Y417 PolarHBondContact O-N 2.99Å; K414-Y417 PolarHBondContact O-N 3.16Å; Y417-N419 VanDerWaalsContact C-N 3.34Å; Y417-N419 PolarHBondContact O-N 3.04Å; Y417-V421 HydrophobicContact CD2-CB 3.76Å; Y417-V421 HydrophobicContact CD2-CG1 4.24Å; Y417-V421 HydrophobicContact CD2-CG2 3.59Å; Y417-V421 HydrophobicContact CE2-CB 3.74Å; Y417-V421 HydrophobicContact CE2-CG1 3.7Å; Y417-V421 HydrophobicContact CE2-CG2 3.88Å; Y417-V421 WeakPolarHBondContact O-CA 3.48Å; Y417-V421 VanDerWaalsContact O-CB 3.26Å; Y417-V421 WeakPolarHBondContact O-CB 3.3Å; Y417-V421 PolarHBondContact O-N 2.79Å; Y417-L422 HydrophobicContact CD1-CD1 4.1Å; Y417-L422 HydrophobicContact CD1-CG 4.3Å; Y417-L422 HydrophobicContact CE1-CD1 3.63Å; Y417-L422 HydrophobicContact CE1-CD2 4.13Å; Y417-L422 HydrophobicContact CE1-CG 3.79Å; Y417-L422 PolarHBondContact O-N 3.24Å
418	Q	93.9	Very high	93.2	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.313	24%	0.243	S	C	.	.	I	π-helix	trans	-55.5	-49.6	176.6	-177	63.7	49.5	0	0	111.1	K414 L422 D423	K414-Q418 WeakPolarHBondContact O-CB 3.1Å; K414-Q418 PolarHBondContact O-N 3.34Å; Q418-L422 WeakPolarHBondContact O-CB 3.4Å; Q418-L422 PolarHBondContact O-N 3.22Å; Q418-D423 PolarHBondContact NE2-OD1 3.47Å; Q418-D423 VanDerWaalsContact O-CB 3.25Å; Q418-D423 WeakPolarHBondContact O-CB 3.2Å; Q418-D423 PolarHBondContact O-N 3.07Å
419	N	95.5	Very high	93.8	Very high	100 Å²	100	41.9 Å²	41.9	54%	0.535	23%	0.232	S	C	.	.	I	π-helix	trans	-72.4	-50.3	-176.3	-171.2	-74	0	0	0	113	A415 L416 Y417 D423 S424	A415-N419 VanDerWaalsContact O-CB 3.3Å; A415-N419 WeakPolarHBondContact O-CB 3.41Å; A415-N419 PolarHBondContact O-N 3.03Å; L416-N419 PolarHBondContact O-N 3.48Å; Y417-N419 VanDerWaalsContact C-N 3.34Å; Y417-N419 PolarHBondContact O-N 3.04Å; N419-D423 WeakPolarHBondContact O-CB 3.46Å; N419-S424 PolarHBondContact O-N 3.46Å; N419-S424 PolarHBondContact O-OG 2.86Å
420	W	96.3	Very high	94.5	Very high	47 Å²	47	40 Å²	40	18%	0.178	22%	0.219	C	C	.	.	I	π-helix	trans	-81.1	-34	-170.5	-167.5	86.5	0	0	0	112.2	M406 L416 S424 R426 V431 D434 M435	M406-W420 HydrophobicContact CE-CE3 3.73Å; M406-W420 HydrophobicContact CE-CZ3 3.85Å; M406-W420 HydrophobicContact SD-CB 4.3Å; M406-W420 HydrophobicContact SD-CD2 4.22Å; M406-W420 HydrophobicContact SD-CE3 3.55Å; M406-W420 VanDerWaalsContact SD-CE3 3.55Å; M406-W420 HydrophobicContact SD-CZ3 4.25Å; L416-W420 HydrophobicContact CD1-CB 4.3Å; L416-W420 WeakPolarHBondContact O-CB 3.34Å; L416-W420 PolarHBondContact O-N 3.22Å; W420-S424 VanDerWaalsContact O-CB 3.31Å; W420-S424 WeakPolarHBondContact O-CB 3.33Å; W420-R426 WeakPolarHBondContact O-CD 3.31Å; W420-R426 WeakPolarHBondContact O-CG 3.41Å; W420-R426 PolarHBondContact O-NH1 2.91Å; W420-V431 HydrophobicContact CH2-CB 4.3Å; W420-V431 HydrophobicContact CH2-CG1 4.09Å; W420-V431 HydrophobicContact CH2-CG2 4.04Å; W420-V431 HydrophobicContact CZ3-CG1 4.26Å; W420-V431 HydrophobicContact CZ3-CG2 3.84Å; W420-D434 HydrophobicContact CH2-CB 4.48Å; W420-D434 HydrophobicContact CZ2-CB 3.86Å; W420-M435 HydrophobicContact CH2-CE 3.5Å; W420-M435 HydrophobicContact CH2-CG 4.1Å; W420-M435 HydrophobicContact CH2-SD 3.85Å; W420-M435 HydrophobicContact CZ2-CE 3.82Å; W420-M435 HydrophobicContact CZ2-CG 4.32Å; W420-M435 HydrophobicContact CZ2-SD 4.49Å; W420-M435 HydrophobicContact CZ3-CE 3.9Å; W420-M435 HydrophobicContact CZ3-SD 4.44Å
421	V	95.9	Very high	95	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-97.8	-62.6	-178.4	-176.6	0	0	0	0	111.2	P381 P382 L387 M406 Y417 C425 R426	P381-V421 HydrophobicContact CB-CG1 3.65Å; P382-V421 HydrophobicContact CG-CG1 4.42Å; L387-V421 HydrophobicContact CD1-CG2 3.94Å; M406-V421 HydrophobicContact SD-CG2 3.84Å; Y417-V421 HydrophobicContact CD2-CB 3.76Å; Y417-V421 HydrophobicContact CD2-CG1 4.24Å; Y417-V421 HydrophobicContact CD2-CG2 3.59Å; Y417-V421 HydrophobicContact CE2-CB 3.74Å; Y417-V421 HydrophobicContact CE2-CG1 3.7Å; Y417-V421 HydrophobicContact CE2-CG2 3.88Å; Y417-V421 WeakPolarHBondContact O-CA 3.48Å; Y417-V421 VanDerWaalsContact O-CB 3.26Å; Y417-V421 WeakPolarHBondContact O-CB 3.3Å; Y417-V421 PolarHBondContact O-N 2.79Å; V421-C425 WeakPolarHBondContact O-CA 3.5Å; V421-C425 PolarHBondContact O-N 3.38Å; V421-R426 PolarHBondContact O-N 3.13Å
422	L	94.4	Very high	95.4	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.236	18%	0.177	C	C	.	.	I	π-helix	trans	-73.1	-59.1	-168.9	-61.1	-178.7	0	0	0	112.7	P381 Y417 Q418 S424 C425	P381-L422 HydrophobicContact CB-CD2 3.97Å; P381-L422 HydrophobicContact CG-CD2 4.32Å; Y417-L422 HydrophobicContact CD1-CD1 4.1Å; Y417-L422 HydrophobicContact CD1-CG 4.3Å; Y417-L422 HydrophobicContact CE1-CD1 3.63Å; Y417-L422 HydrophobicContact CE1-CD2 4.13Å; Y417-L422 HydrophobicContact CE1-CG 3.79Å; Y417-L422 PolarHBondContact O-N 3.24Å; Q418-L422 WeakPolarHBondContact O-CB 3.4Å; Q418-L422 PolarHBondContact O-N 3.22Å; L422-S424 PolarHBondContact O-N 2.96Å; L422-C425 WeakPolarHBondContact O-CA 3.29Å; L422-C425 PolarHBondContact O-N 2.98Å; L422-C425 PolarHBondContact O-SG 2.91Å; L422-C425 VanDerWaalsContact O-SG 3.41Å
423	D	94.4	Very high	95.6	Very high	58 Å²	58	32 Å²	32	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	-179.3	-90.8	34.1	0	0	0	113.4	Q418 N419 C425 K482	Q418-D423 PolarHBondContact NE2-OD1 3.47Å; Q418-D423 VanDerWaalsContact O-CB 3.25Å; Q418-D423 WeakPolarHBondContact O-CB 3.2Å; Q418-D423 PolarHBondContact O-N 3.07Å; N419-D423 WeakPolarHBondContact O-CB 3.46Å; D423-C425 VanDerWaalsContact C-N 3.33Å; D423-K482 HydrophobicContact CB-CD 4.48Å; D423-K482 VanDerWaalsContact O-CD 3.31Å; D423-K482 WeakPolarHBondContact O-CD 3.12Å; D423-K482 VanDerWaalsContact O-CE 3.29Å; D423-K482 WeakPolarHBondContact O-CE 3.43Å; D423-K482 IonicContact OD2-NZ 3.77Å; D423-K482 PolarHBondContact OD2-NZ 2.82Å
424	S	96.1	Very high	95.9	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.6	178	-65.5	0	0	0	0	112.7	N419 W420 L422 R426 T481	N419-S424 PolarHBondContact O-N 3.46Å; N419-S424 PolarHBondContact O-OG 2.86Å; W420-S424 VanDerWaalsContact O-CB 3.31Å; W420-S424 WeakPolarHBondContact O-CB 3.33Å; L422-S424 PolarHBondContact O-N 2.96Å; S424-R426 VanDerWaalsContact C-N 3.28Å; S424-R426 PolarHBondContact O-N 3.37Å; S424-R426 PolarHBondContact OG-NH1 3.38Å; S424-R426 VanDerWaalsContact OG-NH1 3.11Å; S424-T481 WeakPolarHBondContact O-CB 3.24Å
425	C	96.5	Very high	96.2	Very high	34 Å²	34	32.9 Å²	32.9	23%	0.23	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	44.7	-178.6	-49.4	0	0	0	0	112.9	V421 L422 D423 N427 Y479 T481 N487	V421-C425 WeakPolarHBondContact O-CA 3.5Å; V421-C425 PolarHBondContact O-N 3.38Å; L422-C425 WeakPolarHBondContact O-CA 3.29Å; L422-C425 PolarHBondContact O-N 2.98Å; L422-C425 PolarHBondContact O-SG 2.91Å; L422-C425 VanDerWaalsContact O-SG 3.41Å; D423-C425 VanDerWaalsContact C-N 3.33Å; C425-N427 PolarHBondContact O-N 3.15Å; C425-Y479 HydrophobicContact CB-CE2 4.19Å; C425-T481 HydrophobicContact CB-CG2 4.03Å; C425-N487 PolarHBondContact O-ND2 2.82Å
426	R	97.3	Very high	96.3	Very high	29 Å²	29	33.9 Å²	33.9	11%	0.109	18%	0.177	C	C	.	.			trans	-76.8	115.3	179	-73.7	-171.4	169.8	76.3	0.4	109.9	P381 P382 W420 V421 S424 A430 V431 D434 T483	P381-R426 VanDerWaalsContact CA-O 3.3Å; P381-R426 WeakPolarHBondContact CA-O 3.17Å; P382-R426 WeakPolarHBondContact CD-O 3.27Å; W420-R426 WeakPolarHBondContact O-CD 3.31Å; W420-R426 WeakPolarHBondContact O-CG 3.41Å; W420-R426 PolarHBondContact O-NH1 2.91Å; V421-R426 PolarHBondContact O-N 3.13Å; S424-R426 VanDerWaalsContact C-N 3.28Å; S424-R426 PolarHBondContact O-N 3.37Å; S424-R426 PolarHBondContact OG-NH1 3.38Å; S424-R426 VanDerWaalsContact OG-NH1 3.11Å; R426-A430 HydrophobicContact CB-CB 4.14Å; R426-A430 HydrophobicContact CG-CB 4.24Å; R426-V431 HydrophobicContact CB-CG2 4.27Å; R426-D434 IonicContact CZ-OD2 3.7Å; R426-D434 VanDerWaalsContact CZ-OD2 3.29Å; R426-D434 IonicContact NE-OD2 3.27Å; R426-D434 PolarHBondContact NE-OD2 3.34Å; R426-D434 IonicContact NH2-OD2 2.71Å; R426-D434 PolarHBondContact NH2-OD2 3.47Å; R426-T483 HydrophobicContact CG-CG2 4.45Å; R426-T483 VanDerWaalsContact CZ-CG2 3.42Å; R426-T483 VanDerWaalsContact NH2-CG2 3.31Å
427	N	96.9	Very high	96.4	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.169	C	C	.	.			trans	-79.5	176.1	166.8	66.9	33	0	0	0	111.3	I378 T379 C425 L429 A430 V431	I378-N427 WeakPolarHBondContact O-CB 3.18Å; T379-N427 VanDerWaalsContact O-CB 3.29Å; T379-N427 WeakPolarHBondContact O-CB 3.27Å; C425-N427 PolarHBondContact O-N 3.15Å; N427-L429 VanDerWaalsContact C-N 3.31Å; N427-L429 PolarHBondContact O-N 3.02Å; N427-L429 PolarHBondContact OD1-N 3.4Å; N427-L429 VanDerWaalsContact OD1-N 3.13Å; N427-A430 WeakPolarHBondContact O-CB 3.33Å; N427-A430 PolarHBondContact O-N 3.34Å; N427-A430 VanDerWaalsContact O-N 3.1Å; N427-A430 PolarHBondContact OD1-N 2.86Å; N427-V431 PolarHBondContact O-N 3.23Å
428	I	97.7	Very high	96.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-38.5	-177.3	-174.9	63.5	0	0	0	113.6	L335 I378 L390 V431 L432 L445 L449	L335-I428 HydrophobicContact CD1-CG2 4.49Å; L335-I428 HydrophobicContact CD2-CG2 4.34Å; I378-I428 HydrophobicContact CB-CG2 3.94Å; I378-I428 HydrophobicContact CG2-CG2 4.21Å; L390-I428 HydrophobicContact CD1-CD1 3.87Å; I428-V431 PolarHBondContact O-N 2.93Å; I428-L432 HydrophobicContact CG1-CD1 4.29Å; I428-L432 WeakPolarHBondContact O-CG 3.39Å; I428-L432 PolarHBondContact O-N 3.25Å; I428-L445 HydrophobicContact CD1-CD1 3.82Å; I428-L445 HydrophobicContact CG1-CD1 3.88Å; I428-L445 HydrophobicContact CG1-CD2 4.23Å; I428-L449 HydrophobicContact CB-CD2 4.18Å; I428-L449 HydrophobicContact CG1-CD2 4.27Å; I428-L449 HydrophobicContact CG2-CD2 4.22Å
429	L	97.6	Very high	96.7	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-44.1	176.4	179.2	64.9	0	0	0	110.7	L331 K334 L335 I338 N427 V431 L432 E433	L331-L429 HydrophobicContact CD1-CB 4.04Å; L331-L429 HydrophobicContact CD1-CD2 3.35Å; L331-L429 HydrophobicContact CD1-CG 4.33Å; L331-L429 HydrophobicContact CG-CD2 4.44Å; K334-L429 HydrophobicContact CB-CD1 4.21Å; K334-L429 HydrophobicContact CB-CD2 3.79Å; K334-L429 HydrophobicContact CD-CD2 4.08Å; L335-L429 HydrophobicContact CD2-CB 3.9Å; L335-L429 HydrophobicContact CD2-CD1 3.81Å; L335-L429 HydrophobicContact CD2-CG 4.45Å; L335-L429 HydrophobicContact CG-CB 4.3Å; L335-L429 HydrophobicContact CG-CD1 4.14Å; I338-L429 HydrophobicContact CG2-CD1 4.07Å; N427-L429 VanDerWaalsContact C-N 3.31Å; N427-L429 PolarHBondContact O-N 3.02Å; N427-L429 PolarHBondContact OD1-N 3.4Å; N427-L429 VanDerWaalsContact OD1-N 3.13Å; L429-V431 VanDerWaalsContact C-N 3.25Å; L429-V431 PolarHBondContact O-N 3.34Å; L429-L432 PolarHBondContact O-N 3.44Å; L429-L432 VanDerWaalsContact O-N 3.15Å; L429-E433 HydrophobicContact CD1-CG 4.34Å; L429-E433 HydrophobicContact CG-CG 4.3Å; L429-E433 WeakPolarHBondContact O-CG 3.48Å; L429-E433 PolarHBondContact O-N 3.17Å
430	A	97.6	Very high	96.8	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-33.5	177.7	0	0	0	0	0	112.3	R426 N427 D434	R426-A430 HydrophobicContact CB-CB 4.14Å; R426-A430 HydrophobicContact CG-CB 4.24Å; N427-A430 WeakPolarHBondContact O-CB 3.33Å; N427-A430 PolarHBondContact O-N 3.34Å; N427-A430 VanDerWaalsContact O-N 3.1Å; N427-A430 PolarHBondContact OD1-N 2.86Å; A430-D434 WeakPolarHBondContact O-CB 3.39Å; A430-D434 PolarHBondContact O-N 3.08Å
431	V	97.6	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-47.5	172.5	174.1	0	0	0	0	110.7	P382 L387 W420 R426 N427 I428 L429 E433 D434 M435 L438	P382-V431 HydrophobicContact CG-CG2 3.99Å; L387-V431 HydrophobicContact CD2-CG1 4.32Å; W420-V431 HydrophobicContact CH2-CB 4.3Å; W420-V431 HydrophobicContact CH2-CG1 4.09Å; W420-V431 HydrophobicContact CH2-CG2 4.04Å; W420-V431 HydrophobicContact CZ3-CG1 4.26Å; W420-V431 HydrophobicContact CZ3-CG2 3.84Å; R426-V431 HydrophobicContact CB-CG2 4.27Å; N427-V431 PolarHBondContact O-N 3.23Å; I428-V431 PolarHBondContact O-N 2.93Å; L429-V431 VanDerWaalsContact C-N 3.25Å; L429-V431 PolarHBondContact O-N 3.34Å; V431-E433 VanDerWaalsContact C-N 3.33Å; V431-E433 PolarHBondContact O-N 3.45Å; V431-D434 PolarHBondContact O-N 3.29Å; V431-M435 HydrophobicContact CG1-SD 4.12Å; V431-M435 WeakPolarHBondContact O-CB 3.27Å; V431-M435 PolarHBondContact O-N 3.08Å; V431-L438 HydrophobicContact CG1-CD2 4.08Å
432	L	97.8	Very high	96.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-34.5	178.1	-67.4	166.2	0	0	0	112.9	L335 I338 L339 I428 L429 M435 L438 P440	L335-L432 HydrophobicContact CD2-CD1 3.68Å; I338-L432 HydrophobicContact CD1-CB 3.88Å; I338-L432 HydrophobicContact CG2-CB 4.33Å; I338-L432 HydrophobicContact CG2-CD1 4.14Å; L339-L432 HydrophobicContact CD2-CD1 4.17Å; L339-L432 HydrophobicContact CD2-CD2 4.09Å; L339-L432 HydrophobicContact CG-CD1 4.46Å; I428-L432 HydrophobicContact CG1-CD1 4.29Å; I428-L432 WeakPolarHBondContact O-CG 3.39Å; I428-L432 PolarHBondContact O-N 3.25Å; L429-L432 PolarHBondContact O-N 3.44Å; L429-L432 VanDerWaalsContact O-N 3.15Å; L432-M435 CarbonylContact O-C 3.6Å; L432-L438 HydrophobicContact CD2-CB 4.41Å; L432-L438 HydrophobicContact CD2-CD2 3.79Å; L432-L438 HydrophobicContact CD2-CG 3.81Å; L432-P440 HydrophobicContact CD2-CG 4.15Å
433	E	97.2	Very high	97.1	Very high	80 Å²	80	28.1 Å²	28.1	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-69	-42.9	174.7	-74.3	177.8	165.3	0	0	112.3	I338 L429 V431 R485	I338-E433 HydrophobicContact CD1-CG 3.97Å; L429-E433 HydrophobicContact CD1-CG 4.34Å; L429-E433 HydrophobicContact CG-CG 4.3Å; L429-E433 WeakPolarHBondContact O-CG 3.48Å; L429-E433 PolarHBondContact O-N 3.17Å; V431-E433 VanDerWaalsContact C-N 3.33Å; V431-E433 PolarHBondContact O-N 3.45Å; E433-R485 IonicContact OE2-CZ 2.64Å; E433-R485 VanDerWaalsContact OE2-CZ 3.3Å; E433-R485 IonicContact OE2-NE 3.18Å; E433-R485 PolarHBondContact OE2-NE 2.98Å; E433-R485 IonicContact OE2-NH2 2.9Å; E433-R485 PolarHBondContact OE2-NH2 3.47Å
434	D	97.1	Very high	97.2	Very high	57 Å²	57	25.4 Å²	25.4	31%	0.305	14%	0.138	S	C	.	.	H	α-helix	trans	-82	-14.2	-177.5	-71.1	-4.4	0	0	0	112.7	W420 R426 A430 V431 R485	W420-D434 HydrophobicContact CH2-CB 4.48Å; W420-D434 HydrophobicContact CZ2-CB 3.86Å; R426-D434 IonicContact CZ-OD2 3.7Å; R426-D434 VanDerWaalsContact CZ-OD2 3.29Å; R426-D434 IonicContact NE-OD2 3.27Å; R426-D434 PolarHBondContact NE-OD2 3.34Å; R426-D434 IonicContact NH2-OD2 2.71Å; R426-D434 PolarHBondContact NH2-OD2 3.47Å; A430-D434 WeakPolarHBondContact O-CB 3.39Å; A430-D434 PolarHBondContact O-N 3.08Å; V431-D434 PolarHBondContact O-N 3.29Å; D434-R485 IonicContact OD1-CZ 3.68Å; D434-R485 VanDerWaalsContact OD1-CZ 3.3Å; D434-R485 IonicContact OD1-NH1 3.64Å; D434-R485 PolarHBondContact OD1-NH1 2.75Å; D434-R485 IonicContact OD1-NH2 2.76Å; D434-R485 PolarHBondContact OD1-NH2 2.83Å; D434-R485 IonicContact OD2-CZ 3.25Å; D434-R485 IonicContact OD2-NH1 3.78Å; D434-R485 PolarHBondContact OD2-NH1 2.76Å
435	M	96.5	Very high	97.2	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.044	14%	0.136	C	C	.	.			trans	-125	73.7	176.8	-65.6	179.4	166.5	0	0	110.6	E399 M403 M406 W420 V431 L432 S437 L438	E399-M435 HydrophobicContact CG-CB 4.43Å; E399-M435 HydrophobicContact CG-CG 4.37Å; E399-M435 VanDerWaalsContact OE2-C 3.29Å; E399-M435 WeakPolarHBondContact OE2-CA 3.33Å; E399-M435 WeakPolarHBondContact OE2-CB 3.48Å; M403-M435 HydrophobicContact CG-CE 3.93Å; M403-M435 HydrophobicContact CG-SD 3.62Å; M403-M435 HydrophobicContact SD-SD 3.85Å; M406-M435 HydrophobicContact CE-CE 3.77Å; W420-M435 HydrophobicContact CH2-CE 3.5Å; W420-M435 HydrophobicContact CH2-CG 4.1Å; W420-M435 HydrophobicContact CH2-SD 3.85Å; W420-M435 HydrophobicContact CZ2-CE 3.82Å; W420-M435 HydrophobicContact CZ2-CG 4.32Å; W420-M435 HydrophobicContact CZ2-SD 4.49Å; W420-M435 HydrophobicContact CZ3-CE 3.9Å; W420-M435 HydrophobicContact CZ3-SD 4.44Å; V431-M435 HydrophobicContact CG1-SD 4.12Å; V431-M435 WeakPolarHBondContact O-CB 3.27Å; V431-M435 PolarHBondContact O-N 3.08Å; L432-M435 CarbonylContact O-C 3.6Å; M435-S437 PolarHBondContact O-N 2.86Å; M435-S437 VanDerWaalsContact O-N 3.11Å; M435-L438 HydrophobicContact CB-CB 4.17Å; M435-L438 VanDerWaalsContact O-CB 3.24Å; M435-L438 WeakPolarHBondContact O-CB 3.21Å; M435-L438 PolarHBondContact O-N 2.9Å
436	P	96.1	Very high	97.3	Very high	83 Å²	83	23.5 Å²	23.5	54%	0.539	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.6	-172.4	24.6	-36.5	0	0	0	114.7	E399 L438 K439	E399-P436 VanDerWaalsContact OE1-CD 3.29Å; E399-P436 WeakPolarHBondContact OE1-CD 3.47Å; P436-L438 VanDerWaalsContact C-N 3.26Å; P436-K439 WeakPolarHBondContact O-CE 3.38Å
437	S	97.5	Very high	97.2	Very high	16 Å²	16	23.2 Å²	23.2	11%	0.112	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.4	177.5	92.4	0	0	0	0	112.9	S395 D396 E399 M435 K439	S395-S437 PolarHBondContact N-O 2.95Å; S395-S437 VanDerWaalsContact N-O 3.12Å; S395-S437 PolarHBondContact N-OG 3.49Å; S395-S437 WeakPolarHBondContact OG-CB 3.28Å; S395-S437 PolarHBondContact OG-O 2.96Å; S395-S437 VanDerWaalsContact OG-O 3.14Å; D396-S437 WeakPolarHBondContact CB-OG 3.42Å; D396-S437 VanDerWaalsContact N-CB 3.34Å; D396-S437 PolarHBondContact N-OG 2.92Å; E399-S437 WeakPolarHBondContact OE2-CA 3.36Å; E399-S437 WeakPolarHBondContact OE2-CB 3.49Å; E399-S437 PolarHBondContact OE2-N 3.02Å; E399-S437 PolarHBondContact OE2-OG 3.14Å; M435-S437 PolarHBondContact O-N 2.86Å; M435-S437 VanDerWaalsContact O-N 3.11Å; S437-K439 PolarHBondContact O-N 3.04Å
438	L	97.7	Very high	97	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-76.9	105.3	178.8	179.8	59.7	0	0	0	110.7	L390 A394 M403 V431 L432 M435 P436 P440	L390-L438 HydrophobicContact CB-CD1 4.2Å; L390-L438 VanDerWaalsContact O-CD1 3.22Å; L390-L438 WeakPolarHBondContact O-CD1 3.15Å; A394-L438 HydrophobicContact CB-CD1 4.33Å; M403-L438 HydrophobicContact CE-CD1 4.29Å; M403-L438 HydrophobicContact CE-CD2 3.7Å; M403-L438 HydrophobicContact SD-CD1 4.07Å; M403-L438 HydrophobicContact SD-CD2 3.9Å; M403-L438 HydrophobicContact SD-CG 4.49Å; V431-L438 HydrophobicContact CG1-CD2 4.08Å; L432-L438 HydrophobicContact CD2-CB 4.41Å; L432-L438 HydrophobicContact CD2-CD2 3.79Å; L432-L438 HydrophobicContact CD2-CG 3.81Å; M435-L438 HydrophobicContact CB-CB 4.17Å; M435-L438 VanDerWaalsContact O-CB 3.24Å; M435-L438 WeakPolarHBondContact O-CB 3.21Å; M435-L438 PolarHBondContact O-N 2.9Å; P436-L438 VanDerWaalsContact C-N 3.26Å; L438-P440 VanDerWaalsContact C-CD 3.48Å; L438-P440 WeakPolarHBondContact O-CD 3.35Å
439	K	97.2	Very high	96.8	Very high	107 Å²	107	24 Å²	24	47%	0.465	13%	0.129	S	C	.	.			trans	-126.5	67.8	-179.3	-63	-61.3	-177.8	-164.2	0	112.1	I338 Y393 P436 S437	I338-K439 PolarHBondContact O-NZ 3.44Å; Y393-K439 PolarHBondContact O-N 2.88Å; P436-K439 WeakPolarHBondContact O-CE 3.38Å; S437-K439 PolarHBondContact O-N 3.04Å
440	P	97.1	Very high	96.6	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.039	14%	0.14	C	C	.	.			trans	-72.4	149.6	-179.9	31.1	-36.7	0	0	0	112.1	L339 L390 Y393 L432 L438 I442	L339-P440 HydrophobicContact CD2-CG 4.06Å; L390-P440 HydrophobicContact CD2-CB 3.57Å; L390-P440 HydrophobicContact CD2-CG 3.97Å; Y393-P440 HydrophobicContact CD2-CB 3.58Å; Y393-P440 HydrophobicContact CE2-CB 4.25Å; Y393-P440 HydrophobicContact CG-CB 3.93Å; L432-P440 HydrophobicContact CD2-CG 4.15Å; L438-P440 VanDerWaalsContact C-CD 3.48Å; L438-P440 WeakPolarHBondContact O-CD 3.35Å; P440-I442 PolarHBondContact O-N 3.19Å
441	P	97.6	Very high	96.5	Very high	53 Å²	53	29.2 Å²	29.2	34%	0.344	15%	0.153	S	C	.	.			trans	-58.1	132.6	165.4	-21.5	33.1	0	0	0	110.8	Y393 D443 H444 L445	Y393-P441 VanDerWaalsContact CE1-CD 3.48Å; Y393-P441 HydrophobicContact CE1-CG 4.03Å; P441-D443 WeakPolarHBondContact CB-OD1 3.37Å; P441-D443 PolarHBondContact O-N 3.34Å; P441-H444 HydrophobicContact CB-CB 4.48Å; P441-H444 PolarHBondContact O-N 2.96Å; P441-L445 PolarHBondContact O-N 2.82Å
442	I	97.8	Very high	96.4	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-30.4	-176.7	-169.1	166	0	0	0	112.6	L339 V341 L343 Y368 L372 P440 L445 C446	L339-I442 HydrophobicContact CD1-CB 4.22Å; L339-I442 HydrophobicContact CD1-CD1 4.47Å; L339-I442 HydrophobicContact CD1-CG1 4.22Å; V341-I442 HydrophobicContact CB-CD1 4.31Å; V341-I442 HydrophobicContact CB-CG2 4.27Å; V341-I442 HydrophobicContact CG1-CB 4.46Å; V341-I442 HydrophobicContact CG1-CD1 4.32Å; V341-I442 HydrophobicContact CG1-CG2 3.7Å; V341-I442 HydrophobicContact CG2-CB 4.19Å; V341-I442 HydrophobicContact CG2-CG2 4.06Å; L343-I442 HydrophobicContact CD2-CD1 3.36Å; Y368-I442 HydrophobicContact CD1-CD1 4.3Å; Y368-I442 HydrophobicContact CD1-CG1 4.09Å; Y368-I442 HydrophobicContact CD1-CG2 3.92Å; Y368-I442 HydrophobicContact CD2-CG2 4.04Å; Y368-I442 HydrophobicContact CE1-CG1 4.47Å; Y368-I442 HydrophobicContact CE1-CG2 3.58Å; Y368-I442 HydrophobicContact CE2-CG2 3.71Å; Y368-I442 HydrophobicContact CG-CD1 4.07Å; Y368-I442 HydrophobicContact CG-CG1 4.36Å; Y368-I442 HydrophobicContact CG-CG2 4.14Å; Y368-I442 VanDerWaalsContact CZ-CG2 3.46Å; L372-I442 HydrophobicContact CD1-CD1 4.15Å; P440-I442 PolarHBondContact O-N 3.19Å; I442-L445 WeakPolarHBondContact O-CB 3.22Å; I442-L445 PolarHBondContact O-N 3.18Å; I442-C446 WeakPolarHBondContact O-CB 3.09Å; I442-C446 PolarHBondContact O-N 3.29Å; I442-C446 PolarHBondContact O-SG 3.47Å
443	D	97.7	Very high	96.2	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-39.4	179.9	64.7	-63.2	0	0	0	111.8	R244 L248 L349 Y368 P441 L445 C446 E447	R244-D443 IonicContact CZ-OD2 2.78Å; R244-D443 IonicContact NH1-OD2 3.7Å; R244-D443 PolarHBondContact NH1-OD2 3.07Å; R244-D443 IonicContact NH2-OD2 3.36Å; R244-D443 PolarHBondContact NH2-OD2 2.75Å; L248-D443 HydrophobicContact CB-CB 4.37Å; L248-D443 HydrophobicContact CD1-CB 3.93Å; L248-D443 HydrophobicContact CD2-CB 3.96Å; L248-D443 HydrophobicContact CG-CB 4.3Å; L349-D443 HydrophobicContact CD2-CB 4.16Å; Y368-D443 HydrophobicContact CE1-CB 4.05Å; Y368-D443 WeakPolarHBondContact OH-CB 3.2Å; P441-D443 WeakPolarHBondContact CB-OD1 3.37Å; P441-D443 PolarHBondContact O-N 3.34Å; D443-L445 VanDerWaalsContact C-N 3.35Å; D443-C446 PolarHBondContact O-N 3.16Å; D443-E447 PolarHBondContact O-N 3.25Å
444	H	96.4	Very high	96.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-36.4	173.7	-165.9	-171	0	0	0	110.6	Y393 P441 C446 E447 L448	Y393-H444 AromaticContact CE2-ND1 3.41Å; Y393-H444 WeakPolarHBondContact CE2-ND1 3.36Å; Y393-H444 AromaticContact CZ-ND1 3.53Å; Y393-H444 PolarHBondContact OH-ND1 3.33Å; P441-H444 HydrophobicContact CB-CB 4.48Å; P441-H444 PolarHBondContact O-N 2.96Å; H444-C446 PolarHBondContact O-N 2.85Å; H444-E447 IonicContact CD2-OE2 2.85Å; H444-E447 WeakPolarHBondContact O-CB 3.41Å; H444-E447 PolarHBondContact O-N 3.43Å; H444-L448 VanDerWaalsContact O-CG 3.27Å; H444-L448 WeakPolarHBondContact O-CG 3.27Å; H444-L448 PolarHBondContact O-N 3.18Å
445	L	96.7	Very high	96.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-45.2	172	-176.2	62.7	0	0	0	111.8	L339 L390 I428 P441 I442 D443 E447 L448 L449	L339-L445 HydrophobicContact CD1-CD2 3.99Å; L390-L445 HydrophobicContact CD1-CD1 3.93Å; L390-L445 HydrophobicContact CD2-CD1 4.26Å; I428-L445 HydrophobicContact CD1-CD1 3.82Å; I428-L445 HydrophobicContact CG1-CD1 3.88Å; I428-L445 HydrophobicContact CG1-CD2 4.23Å; P441-L445 PolarHBondContact O-N 2.82Å; I442-L445 WeakPolarHBondContact O-CB 3.22Å; I442-L445 PolarHBondContact O-N 3.18Å; D443-L445 VanDerWaalsContact C-N 3.35Å; L445-E447 PolarHBondContact O-N 3.07Å; L445-L448 PolarHBondContact O-N 2.83Å; L445-L448 VanDerWaalsContact O-N 3.16Å; L445-L449 HydrophobicContact CD1-CD1 4.13Å; L445-L449 HydrophobicContact CD1-CD2 4.3Å; L445-L449 HydrophobicContact CD1-CG 3.98Å; L445-L449 HydrophobicContact CD2-CD1 4.38Å; L445-L449 HydrophobicContact CG-CD1 3.81Å; L445-L449 HydrophobicContact CG-CG 4.14Å; L445-L449 VanDerWaalsContact O-CG 3.29Å; L445-L449 WeakPolarHBondContact O-CG 3.27Å; L445-L449 PolarHBondContact O-N 3.16Å
446	C	97.6	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-29.4	176.2	-75.7	0	0	0	0	113.5	L349 F362 L376 I442 D443 H444	L349-C446 HydrophobicContact CD1-CB 4.18Å; F362-C446 HydrophobicContact CE1-CB 4.04Å; F362-C446 HydrophobicContact CZ-CB 4.16Å; L376-C446 HydrophobicContact CD1-CB 3.76Å; L376-C446 VanDerWaalsContact CD1-SG 3.58Å; I442-C446 WeakPolarHBondContact O-CB 3.09Å; I442-C446 PolarHBondContact O-N 3.29Å; I442-C446 PolarHBondContact O-SG 3.47Å; D443-C446 PolarHBondContact O-N 3.16Å; H444-C446 PolarHBondContact O-N 2.85Å
447	E	95.2	Very high	96.2	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-71.4	-37.5	173.3	159.3	173.4	-169.6	0	0	112.4	R244 Q245 Y246 L349 D443 H444 L445	R244-E447 IonicContact CZ-OE2 3.05Å; R244-E447 IonicContact NE-OE2 3.29Å; R244-E447 PolarHBondContact NE-OE2 3.45Å; R244-E447 IonicContact NH2-OE2 2.95Å; R244-E447 PolarHBondContact NH2-OE2 3.41Å; Q245-E447 WeakPolarHBondContact CA-OE1 3.42Å; Q245-E447 PolarHBondContact N-OE1 3.24Å; Y246-E447 HydrophobicContact CD2-CB 4.41Å; Y246-E447 HydrophobicContact CD2-CG 3.78Å; Y246-E447 HydrophobicContact CE2-CG 4.45Å; Y246-E447 PolarHBondContact N-OE1 3.03Å; L349-E447 HydrophobicContact CD1-CB 4.25Å; D443-E447 PolarHBondContact O-N 3.25Å; H444-E447 IonicContact CD2-OE2 2.85Å; H444-E447 WeakPolarHBondContact O-CB 3.41Å; H444-E447 PolarHBondContact O-N 3.43Å; L445-E447 PolarHBondContact O-N 3.07Å
448	L	92.8	Very high	96.2	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.131	16%	0.155	C	C	.	.	H	α-helix	trans	-84.3	-30.2	-175.3	-67.4	170.9	0	0	0	113.8	V386 E389 L390 H444 L445	V386-L448 HydrophobicContact CG1-CB 4.21Å; V386-L448 HydrophobicContact CG2-CB 4.32Å; V386-L448 WeakPolarHBondContact CG2-O 3.5Å; E389-L448 HydrophobicContact CB-CD1 3.77Å; E389-L448 HydrophobicContact CB-CD2 3.92Å; E389-L448 HydrophobicContact CG-CD2 3.97Å; L390-L448 HydrophobicContact CD2-CD1 3.77Å; L390-L448 HydrophobicContact CG-CD1 4Å; H444-L448 VanDerWaalsContact O-CG 3.27Å; H444-L448 WeakPolarHBondContact O-CG 3.27Å; H444-L448 PolarHBondContact O-N 3.18Å; L445-L448 PolarHBondContact O-N 2.83Å; L445-L448 VanDerWaalsContact O-N 3.16Å
449	L	95	Very high	96.3	Very high	11 Å²	11	33 Å²	33	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-69.1	139	-177	-73	171.4	0	0	0	111.6	L372 L376 I378 I428 L445	L372-L449 HydrophobicContact CD2-CD1 4.34Å; L376-L449 HydrophobicContact CB-CB 4.37Å; L376-L449 HydrophobicContact CD1-CD1 4.45Å; L376-L449 HydrophobicContact CD2-CB 4.17Å; I378-L449 HydrophobicContact CG2-CD1 3.8Å; I428-L449 HydrophobicContact CB-CD2 4.18Å; I428-L449 HydrophobicContact CG1-CD2 4.27Å; I428-L449 HydrophobicContact CG2-CD2 4.22Å; L445-L449 HydrophobicContact CD1-CD1 4.13Å; L445-L449 HydrophobicContact CD1-CD2 4.3Å; L445-L449 HydrophobicContact CD1-CG 3.98Å; L445-L449 HydrophobicContact CD2-CD1 4.38Å; L445-L449 HydrophobicContact CG-CD1 3.81Å; L445-L449 HydrophobicContact CG-CG 4.14Å; L445-L449 VanDerWaalsContact O-CG 3.29Å; L445-L449 WeakPolarHBondContact O-CG 3.27Å; L445-L449 PolarHBondContact O-N 3.16Å
450	P	92.9	Very high	96.3	Very high	43 Å²	43	28 Å²	28	28%	0.279	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-68.1	160.7	178.1	25.4	-29	0	0	0	111.6	L376 D377	L376-P450 WeakPolarHBondContact CA-O 3.37Å; D377-P450 HydrophobicContact CB-CG 4.23Å; D377-P450 PolarHBondContact N-O 3.36Å
451	R	94.7	Very high	96.4	Very high	76 Å²	76	27.7 Å²	27.7	29%	0.287	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-70.1	137.6	178.1	-68.3	-66.3	-63.1	-78.4	-11.6	111.4	P361 Y375 Q453	P361-R451 WeakPolarHBondContact O-CD 3.15Å; P361-R451 PolarHBondContact O-NH1 3.05Å; Y375-R451 CarbonylContact O-C 3.39Å; Y375-R451 VanDerWaalsContact O-CA 3.25Å; Y375-R451 WeakPolarHBondContact O-CA 3.49Å; Y375-R451 WeakPolarHBondContact O-CD 3.3Å; Y375-R451 PolarHBondContact O-NE 2.85Å; Y375-R451 VanDerWaalsContact O-NE 3.17Å; R451-Q453 PolarHBondContact O-N 3.06Å; R451-Q453 PolarHBondContact O-NE2 3.16Å
452	L	95.6	Very high	96.5	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.094	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-63.9	120	169.9	-175.7	62.4	0	0	0	109.6	P325 Y375 V490	P325-L452 HydrophobicContact CG-CD2 4.36Å; Y375-L452 PolarHBondContact O-N 3.33Å; L452-V490 HydrophobicContact CD1-CG1 4.3Å
453	Q	94	Very high	96.5	Very high	75 Å²	75	26 Å²	26	35%	0.35	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-88.5	152.4	-176.8	-59.8	-58.5	-47.7	0	0	112	T88 R451	T88-Q453 PolarHBondContact O-NE2 3.15Å; T88-Q453 PolarHBondContact O-OE1 3.23Å; R451-Q453 PolarHBondContact O-N 3.06Å; R451-Q453 PolarHBondContact O-NE2 3.16Å
454	A	95.2	Very high	96.5	Very high	14 Å²	14	30 Å²	30	12%	0.116	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-66	147.7	165.3	0	0	0	0	0	110.4	A322 V323 F324 Y510	A322-A454 HydrophobicContact CB-CB 4.31Å; V323-A454 CarbonylContact O-C 3.59Å; V323-A454 VanDerWaalsContact O-CA 3.23Å; V323-A454 WeakPolarHBondContact O-CA 3.48Å; F324-A454 HydrophobicContact CD1-CB 3.89Å; F324-A454 HydrophobicContact CE1-CB 3.78Å; F324-A454 HydrophobicContact CE2-CB 4.42Å; F324-A454 HydrophobicContact CG-CB 4.27Å; F324-A454 HydrophobicContact CZ-CB 4.06Å; A454-Y510 HydrophobicContact CB-CE1 4.39Å
455	R	97.1	Very high	96.6	Very high	139 Å²	139	32.9 Å²	32.9	53%	0.525	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.9	173.3	-159.6	66.9	172.2	174.3	1.9	110.3	V323 Y457 A491	V323-R455 PolarHBondContact N-O 2.8Å; V323-R455 PolarHBondContact O-N 2.9Å; R455-Y457 HydrophobicContact CB-CE2 4.13Å; R455-Y457 HydrophobicContact CG-CE2 4.22Å; R455-A491 HydrophobicContact CB-CB 3.62Å; R455-A491 HydrophobicContact CG-CB 4.05Å
456	Y	96.1	Very high	96.7	Very high	49 Å²	49	35.5 Å²	35.5	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.8	179.5	-63.6	-94.1	0	0	0	110.9	H320 V321 A322 Y510 R512	H320-Y456 HydrophobicContact CB-CD1 4.2Å; V321-Y456 CarbonylContact O-C 3.47Å; V321-Y456 WeakPolarHBondContact O-CA 3.37Å; A322-Y456 HydrophobicContact CB-CD1 3.73Å; A322-Y456 HydrophobicContact CB-CE1 3.6Å; A322-Y456 HydrophobicContact CB-CG 4.42Å; Y456-Y510 PolarHBondContact OH-OH 2.83Å; Y456-R512 HydrophobicContact CE1-CB 4.06Å; Y456-R512 VanDerWaalsContact CE1-NH1 3.34Å
457	Y	98	Very high	96.7	Very high	25 Å²	25	38.9 Å²	38.9	10%	0.098	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.6	171.4	-60.2	-85.7	0	0	0	109.2	H320 V321 V323 R455 I459 I472 A474 A491 T492 L495	H320-Y457 CarbonylContact C-O 3.6Å; H320-Y457 WeakPolarHBondContact CA-O 3.37Å; V321-Y457 WeakPolarHBondContact CG1-O 3.35Å; V321-Y457 PolarHBondContact N-O 3.48Å; V321-Y457 PolarHBondContact O-N 2.71Å; V323-Y457 HydrophobicContact CB-CE2 4.34Å; V323-Y457 HydrophobicContact CG2-CD2 4.24Å; V323-Y457 HydrophobicContact CG2-CE2 4.34Å; R455-Y457 HydrophobicContact CB-CE2 4.13Å; R455-Y457 HydrophobicContact CG-CE2 4.22Å; Y457-I459 PolarHBondContact O-N 3.45Å; Y457-I472 HydrophobicContact CD1-CG2 3.86Å; Y457-I472 HydrophobicContact CD2-CD1 4.23Å; Y457-I472 HydrophobicContact CD2-CG2 4.3Å; Y457-I472 HydrophobicContact CE1-CG2 4.47Å; Y457-I472 HydrophobicContact CG-CG2 3.76Å; Y457-A474 HydrophobicContact CD1-CB 3.99Å; Y457-A474 HydrophobicContact CE1-CB 3.68Å; Y457-A491 WeakPolarHBondContact OH-CB 3.44Å; Y457-T492 HydrophobicContact CE1-CG2 4.28Å; Y457-T492 VanDerWaalsContact OH-CG2 3.31Å; Y457-T492 WeakPolarHBondContact OH-CG2 3.32Å; Y457-L495 HydrophobicContact CE2-CD1 3.75Å
458	S	98.3	Very high	96.9	Very high	8 Å²	8	41.7 Å²	41.7	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.1	171.2	-46.3	0	0	0	0	109.7	A460 D673 W675	S458-A460 PolarHBondContact O-N 3.05Å; S458-D673 WeakPolarHBondContact CB-OD2 3.33Å; S458-D673 PolarHBondContact OG-OD2 3.24Å; S458-W675 WeakPolarHBondContact OG-CZ3 3.5Å
459	I	98.8	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-69.7	125.8	-175.1	-63.5	172.3	0	0	0	109.7	Y315 D319 V321 Y457 S461 I470 I511 P537	Y315-I459 HydrophobicContact CD2-CD1 3.74Å; Y315-I459 HydrophobicContact CD2-CG2 3.89Å; Y315-I459 HydrophobicContact CE2-CG2 3.61Å; Y315-I459 HydrophobicContact CG-CD1 4.15Å; D319-I459 HydrophobicContact CB-CD1 3.77Å; D319-I459 WeakPolarHBondContact O-CB 3.41Å; D319-I459 VanDerWaalsContact O-CG1 3.27Å; D319-I459 WeakPolarHBondContact O-CG1 3.39Å; D319-I459 PolarHBondContact O-N 2.77Å; V321-I459 HydrophobicContact CB-CD1 4.41Å; V321-I459 HydrophobicContact CB-CG1 4.02Å; V321-I459 HydrophobicContact CG1-CG1 3.94Å; Y457-I459 PolarHBondContact O-N 3.45Å; I459-S461 VanDerWaalsContact C-N 3.35Å; I459-S461 PolarHBondContact O-N 3.1Å; I459-I470 HydrophobicContact CD1-CG2 4.27Å; I459-I470 HydrophobicContact CG1-CG2 3.98Å; I459-I470 HydrophobicContact CG2-CG2 4.03Å; I459-I511 HydrophobicContact CD1-CD1 3.57Å; I459-P537 WeakPolarHBondContact O-CA 3.48Å
460	A	98.7	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.202	C	C	.	.			trans	-95.6	22.5	-175.8	0	0	0	0	0	114.5	S458 H471 C473 A536 M539	S458-A460 PolarHBondContact O-N 3.05Å; A460-H471 HydrophobicContact CB-CB 4.07Å; A460-H471 PolarHBondContact N-O 2.86Å; A460-C473 HydrophobicContact CB-CB 4.15Å; A460-A536 WeakPolarHBondContact CA-O 3.1Å; A460-A536 HydrophobicContact CB-CB 4.31Å; A460-A536 WeakPolarHBondContact CB-O 3.08Å; A460-M539 HydrophobicContact CB-CB 4.44Å; A460-M539 WeakPolarHBondContact O-CB 3.4Å
461	S	98.8	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-137.1	157.6	175.9	58	0	0	0	0	112.3	Y315 I459 S469 H471 G540 Q543	Y315-S461 PolarHBondContact OH-OG 2.92Å; I459-S461 VanDerWaalsContact C-N 3.35Å; I459-S461 PolarHBondContact O-N 3.1Å; S461-S469 PolarHBondContact OG-O 3.02Å; S461-S469 VanDerWaalsContact OG-O 3.07Å; S461-H471 VanDerWaalsContact CB-CG 3.46Å; S461-H471 PolarHBondContact OG-N 2.77Å; S461-G540 VanDerWaalsContact C-CA 3.5Å; S461-Q543 VanDerWaalsContact CA-OE1 3.24Å
462	S	98.7	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.			trans	-95	133.7	167.2	174.6	0	0	0	0	111.1	Y315 S317 K464 V465 H466 G540 E544	Y315-S462 PolarHBondContact OH-O 2.77Å; S317-S462 VanDerWaalsContact OG-CA 3.23Å; S317-S462 WeakPolarHBondContact OG-CA 3.31Å; S317-S462 WeakPolarHBondContact OG-CB 3.35Å; S317-S462 PolarHBondContact OG-OG 3.35Å; S462-K464 PolarHBondContact O-N 2.76Å; S462-K464 WeakPolarHBondContact OG-CB 3.28Å; S462-K464 PolarHBondContact OG-N 3Å; S462-K464 VanDerWaalsContact OG-N 3.12Å; S462-V465 PolarHBondContact O-N 2.86Å; S462-V465 VanDerWaalsContact O-N 3.08Å; S462-H466 PolarHBondContact O-N 3.09Å; S462-G540 WeakPolarHBondContact CB-O 3.19Å; S462-E544 WeakPolarHBondContact OG-CB 3.29Å; S462-E544 PolarHBondContact OG-OE2 2.94Å
463	S	98.4	Very high	97.9	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.4	173.3	63	0	0	0	0	113.6	Y315 V465 P467	Y315-S463 WeakPolarHBondContact O-CB 3.43Å; Y315-S463 PolarHBondContact O-OG 3.45Å; Y315-S463 WeakPolarHBondContact OH-CA 3.36Å; Y315-S463 PolarHBondContact OH-N 3.04Å; S463-V465 VanDerWaalsContact C-N 3.34Å; S463-P467 WeakPolarHBondContact O-CA 3.49Å; S463-P467 WeakPolarHBondContact O-CB 3.24Å
464	K	98.3	Very high	98.1	Very high	97 Å²	97	31.5 Å²	31.5	42%	0.422	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.6	171.7	-55.8	-55.1	-178.2	-168.7	0	112.7	S462 E544 W547	S462-K464 PolarHBondContact O-N 2.76Å; S462-K464 WeakPolarHBondContact OG-CB 3.28Å; S462-K464 PolarHBondContact OG-N 3Å; S462-K464 VanDerWaalsContact OG-N 3.12Å; K464-E544 HydrophobicContact CB-CG 4.48Å; K464-E544 HydrophobicContact CG-CG 3.99Å; K464-W547 HydrophobicContact CB-CD2 3.85Å; K464-W547 HydrophobicContact CB-CE3 3.95Å; K464-W547 HydrophobicContact CB-CG 4.2Å; K464-W547 HydrophobicContact CB-CZ3 4.39Å; K464-W547 HydrophobicContact CD-CH2 4.43Å; K464-W547 HydrophobicContact CD-CZ3 4.37Å; K464-W547 HydrophobicContact CG-CD2 4.49Å; K464-W547 HydrophobicContact CG-CE3 4.1Å; K464-W547 HydrophobicContact CG-CZ3 4.17Å
465	V	98.5	Very high	98.1	Very high	63 Å²	63	32.8 Å²	32.8	38%	0.382	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-39.5	-179.9	-175.5	0	0	0	0	110.9	S462 S463 P467 Q543 W547	S462-V465 PolarHBondContact O-N 2.86Å; S462-V465 VanDerWaalsContact O-N 3.08Å; S463-V465 VanDerWaalsContact C-N 3.34Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; V465-P467 WeakPolarHBondContact O-CD 3.42Å; V465-Q543 HydrophobicContact CG2-CB 4.09Å; V465-W547 HydrophobicContact CG2-CB 3.9Å; V465-W547 HydrophobicContact CG2-CG 4.4Å
466	H	98.6	Very high	98.2	Very high	56 Å²	56	26.9 Å²	26.9	26%	0.259	15%	0.145	S	C	.	.			trans	-122.4	60.8	-176.5	-61.4	-80.2	0	0	0	111.8	Y315 S462 N468 S469 H471 Q543	Y315-H466 PolarHBondContact OH-O 3.26Å; S462-H466 PolarHBondContact O-N 3.09Å; H466-N468 PolarHBondContact O-N 3.17Å; H466-S469 PolarHBondContact O-N 2.79Å; H466-S469 VanDerWaalsContact O-N 3.09Å; H466-H471 AromaticContact CD2-CE1 3.75Å; H466-H471 AromaticContact CE1-CE1 3.65Å; H466-H471 AromaticContact CG-CE1 3.78Å; H466-H471 AromaticContact CG-NE2 3.69Å; H466-H471 AromaticContact ND1-CE1 3.71Å; H466-H471 AromaticContact ND1-NE2 3.63Å; H466-H471 AromaticContact NE2-CE1 3.67Å; H466-Q543 PolarHBondContact CD2-OE1 3.14Å
467	P	98.2	Very high	98.2	Very high	72 Å²	72	27.5 Å²	27.5	47%	0.468	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.9	-173.8	25.6	-35.9	0	0	0	114.3	S463 V465	S463-P467 WeakPolarHBondContact O-CA 3.49Å; S463-P467 WeakPolarHBondContact O-CB 3.24Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; V465-P467 WeakPolarHBondContact O-CD 3.42Å
468	N	98	Very high	98.1	Very high	82 Å²	82	31.3 Å²	31.3	44%	0.439	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	9.7	-178.3	-59	106.4	0	0	0	113.9	I308 H466	I308-N468 VanDerWaalsContact CG1-C 3.42Å; I308-N468 VanDerWaalsContact CG1-O 3.29Å; I308-N468 WeakPolarHBondContact CG1-O 3.43Å; I308-N468 PolarHBondContact N-O 3.28Å; H466-N468 PolarHBondContact O-N 3.17Å
469	S	98.4	Very high	98	Very high	17 Å²	17	35.8 Å²	35.8	12%	0.119	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.1	179.9	-174.7	0	0	0	0	112.2	L306 Y315 S461 H466 H471	L306-S469 WeakPolarHBondContact O-CA 3.36Å; Y315-S469 PolarHBondContact OH-O 3.05Å; S461-S469 PolarHBondContact OG-O 3.02Å; S461-S469 VanDerWaalsContact OG-O 3.07Å; H466-S469 PolarHBondContact O-N 2.79Å; H466-S469 VanDerWaalsContact O-N 3.09Å; S469-H471 PolarHBondContact OG-CD2 3.2Å; S469-H471 VanDerWaalsContact OG-CD2 3.3Å; S469-H471 PolarHBondContact OG-NE2 3.25Å
470	I	98.6	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.4	175.7	-66.4	167.5	0	0	0	108.9	L306 I308 Y315 V321 I459 M509 I511	L306-I470 HydrophobicContact CB-CB 4.39Å; L306-I470 PolarHBondContact N-O 3.23Å; L306-I470 PolarHBondContact O-N 2.93Å; I308-I470 HydrophobicContact CD1-CD1 4.02Å; I308-I470 HydrophobicContact CD1-CG1 4.05Å; I308-I470 HydrophobicContact CG2-CD1 3.68Å; I308-I470 HydrophobicContact CG2-CG1 4.25Å; Y315-I470 HydrophobicContact CD1-CG1 4.12Å; Y315-I470 HydrophobicContact CE1-CG1 4.07Å; V321-I470 HydrophobicContact CB-CG2 3.93Å; V321-I470 HydrophobicContact CG1-CG2 3.86Å; V321-I470 HydrophobicContact CG2-CG2 4.26Å; I459-I470 HydrophobicContact CD1-CG2 4.27Å; I459-I470 HydrophobicContact CG1-CG2 3.98Å; I459-I470 HydrophobicContact CG2-CG2 4.03Å; I470-M509 HydrophobicContact CD1-CE 3.29Å; I470-M509 HydrophobicContact CD1-SD 4.37Å; I470-I511 HydrophobicContact CD1-CD1 3.44Å; I470-I511 VanDerWaalsContact CD1-CD1 3.44Å; I470-I511 HydrophobicContact CD1-CG1 4.17Å; I470-I511 HydrophobicContact CG1-CD1 4.43Å
471	H	98.8	Very high	97.7	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141	-179.4	-58.7	-175	0	0	0	110.6	H303 L304 E305 A460 S461 H466 S469	H303-H471 AromaticContact CE1-CG 3.84Å; H303-H471 AromaticContact CE1-ND1 3.61Å; H303-H471 AromaticContact NE2-ND1 3.99Å; L304-H471 CarbonylContact O-C 3.58Å; L304-H471 VanDerWaalsContact O-CA 3.25Å; L304-H471 WeakPolarHBondContact O-CA 3.38Å; E305-H471 IonicContact OE2-NE2 3.17Å; A460-H471 HydrophobicContact CB-CB 4.07Å; A460-H471 PolarHBondContact N-O 2.86Å; S461-H471 VanDerWaalsContact CB-CG 3.46Å; S461-H471 PolarHBondContact OG-N 2.77Å; H466-H471 AromaticContact CD2-CE1 3.75Å; H466-H471 AromaticContact CE1-CE1 3.65Å; H466-H471 AromaticContact CG-CE1 3.78Å; H466-H471 AromaticContact CG-NE2 3.69Å; H466-H471 AromaticContact ND1-CE1 3.71Å; H466-H471 AromaticContact ND1-NE2 3.63Å; H466-H471 AromaticContact NE2-CE1 3.67Å; S469-H471 PolarHBondContact OG-CD2 3.2Å; S469-H471 VanDerWaalsContact OG-CD2 3.3Å; S469-H471 PolarHBondContact OG-NE2 3.25Å
472	I	98.7	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.8	176.4	-66.4	175.1	0	0	0	108.8	H303 L304 L306 V321 V323 Y457 A474	H303-I472 WeakPolarHBondContact CA-O 3.4Å; L304-I472 HydrophobicContact CB-CB 4.35Å; L304-I472 PolarHBondContact N-O 3.18Å; L304-I472 PolarHBondContact O-N 3.26Å; L306-I472 HydrophobicContact CD1-CD1 3.79Å; L306-I472 HydrophobicContact CG-CD1 4.43Å; V321-I472 HydrophobicContact CG1-CD1 3.77Å; V321-I472 HydrophobicContact CG1-CG1 3.62Å; V323-I472 HydrophobicContact CG2-CD1 4.11Å; Y457-I472 HydrophobicContact CD1-CG2 3.86Å; Y457-I472 HydrophobicContact CD2-CD1 4.23Å; Y457-I472 HydrophobicContact CD2-CG2 4.3Å; Y457-I472 HydrophobicContact CE1-CG2 4.47Å; Y457-I472 HydrophobicContact CG-CG2 3.76Å; I472-A474 HydrophobicContact CG2-CB 4.12Å
473	C	98.2	Very high	97.3	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.7	168.9	177.5	0	0	0	0	108.9	A460 A536 Y573	A460-C473 HydrophobicContact CB-CB 4.15Å; C473-A536 HydrophobicContact CB-CB 3.84Å; C473-Y573 HydrophobicContact CB-CE2 4.21Å; C473-Y573 WeakPolarHBondContact CB-OH 3.29Å
474	A	97.5	Very high	97.1	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.5	-174.6	0	0	0	0	0	112.6	L301 M302 Y457 I472	L301-A474 CarbonylContact C-O 3.32Å; L301-A474 WeakPolarHBondContact CA-O 3.27Å; M302-A474 HydrophobicContact CE-CB 3.76Å; M302-A474 HydrophobicContact CG-CB 4.27Å; M302-A474 PolarHBondContact N-O 2.84Å; M302-A474 PolarHBondContact O-N 3.35Å; Y457-A474 HydrophobicContact CD1-CB 3.99Å; Y457-A474 HydrophobicContact CE1-CB 3.68Å; I472-A474 HydrophobicContact CG2-CB 4.12Å
475	V	96.9	Very high	97	Very high	41 Å²	41	52.4 Å²	52.4	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.7	168.7	61.6	0	0	0	0	109.1	L301 V477 T492 T533	L301-V475 HydrophobicContact CD1-CG2 4.5Å; L301-V475 HydrophobicContact CG-CB 4.25Å; L301-V475 HydrophobicContact CG-CG2 4.17Å; V475-V477 PolarHBondContact O-N 3.17Å; V475-T492 WeakPolarHBondContact O-CG2 3.47Å; V475-T533 HydrophobicContact CB-CG2 3.98Å; V475-T533 HydrophobicContact CG1-CG2 4.08Å
476	V	97.4	Very high	96.9	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.091	28%	0.276	C	S	.	.			trans	-69.7	127.3	174.9	177.4	0	0	0	0	109.2	H300 M302 K496	H300-V476 HydrophobicContact CB-CB 4.06Å; H300-V476 HydrophobicContact CB-CG2 4Å; H300-V476 VanDerWaalsContact CD2-CG2 3.43Å; H300-V476 WeakPolarHBondContact CD2-CG2 3.45Å; H300-V476 PolarHBondContact O-N 2.91Å; M302-V476 HydrophobicContact CE-CG2 4.49Å; M302-V476 HydrophobicContact SD-CG2 3.99Å; V476-K496 HydrophobicContact CG1-CD 4.18Å; V476-K496 HydrophobicContact CG2-CB 3.99Å; V476-K496 HydrophobicContact CG2-CD 3.9Å; V476-K496 HydrophobicContact CG2-CG 4.1Å
477	V	97.1	Very high	96.7	Very high	63 Å²	63	51.1 Å²	51.1	38%	0.382	27%	0.267	S	S	.	.			trans	-91.7	113	178.8	178	0	0	0	0	107.6	V475 Y479 G489 T492 N493	V475-V477 PolarHBondContact O-N 3.17Å; V477-Y479 HydrophobicContact CG1-CD1 4.11Å; V477-Y479 HydrophobicContact CG1-CE1 4.22Å; V477-G489 PolarHBondContact O-N 3.47Å; V477-T492 PolarHBondContact N-OG1 3.49Å; V477-N493 PolarHBondContact O-ND2 3.4Å
478	E	96	Very high	96.7	Very high	105 Å²	105	52.1 Å²	52.1	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	124.6	175.6	-172.5	173.6	170	0	0	107.7	V486 N487 K488	E478-V486 HydrophobicContact CG-CG1 3.7Å; E478-N487 WeakPolarHBondContact CA-O 3.42Å; E478-K488 HydrophobicContact CG-CG 4.4Å
479	Y	95.6	Very high	96.6	Very high	102 Å²	102	49.1 Å²	49.1	40%	0.4	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.8	-178.6	63.9	-87.3	0	0	0	111.5	C425 V477 T481 V486 N487	C425-Y479 HydrophobicContact CB-CE2 4.19Å; V477-Y479 HydrophobicContact CG1-CD1 4.11Å; V477-Y479 HydrophobicContact CG1-CE1 4.22Å; Y479-T481 HydrophobicContact CD2-CG2 4.46Å; Y479-T481 HydrophobicContact CE2-CG2 4.04Å; Y479-V486 WeakPolarHBondContact O-CA 3.35Å; Y479-N487 HydrophobicContact CD1-CB 4.37Å; Y479-N487 HydrophobicContact CD2-CB 4.37Å; Y479-N487 HydrophobicContact CE1-CB 3.84Å; Y479-N487 HydrophobicContact CE2-CB 3.84Å; Y479-N487 PolarHBondContact N-O 3.42Å; Y479-N487 PolarHBondContact O-N 2.81Å; Y479-N487 PolarHBondContact OH-ND2 3.44Å
480	K	96.2	Very high	96.6	Very high	157 Å²	157	49.5 Å²	49.5	68%	0.683	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	127.4	173.9	-167.9	172.6	-178.4	175	0	109.5	G484 R485	K480-G484 VanDerWaalsContact CE-O 3.29Å; K480-G484 WeakPolarHBondContact CE-O 3.46Å; K480-R485 CarbonylContact C-O 3.58Å; K480-R485 WeakPolarHBondContact CA-O 3.22Å
481	T	95.3	Very high	96.6	Very high	12 Å²	12	50 Å²	50	7%	0.074	26%	0.258	C	S	.	.			trans	-78.6	168.2	179.2	69.7	0	0	0	0	111.4	S424 C425 Y479 T483 G484 R485 N487	S424-T481 WeakPolarHBondContact O-CB 3.24Å; C425-T481 HydrophobicContact CB-CG2 4.03Å; Y479-T481 HydrophobicContact CD2-CG2 4.46Å; Y479-T481 HydrophobicContact CE2-CG2 4.04Å; T481-T483 PolarHBondContact O-N 3.32Å; T481-T483 VanDerWaalsContact O-N 3.15Å; T481-T483 PolarHBondContact OG1-N 2.72Å; T481-T483 PolarHBondContact OG1-OG1 3.27Å; T481-G484 PolarHBondContact O-N 2.61Å; T481-R485 PolarHBondContact N-O 2.83Å; T481-R485 PolarHBondContact OG1-N 2.71Å; T481-R485 PolarHBondContact OG1-O 2.74Å; T481-N487 HydrophobicContact CG2-CB 4.12Å; T481-N487 VanDerWaalsContact CG2-CG 3.45Å; T481-N487 WeakPolarHBondContact CG2-ND2 3.42Å
482	K	93.9	Very high	96.6	Very high	149 Å²	149	50.2 Å²	50.2	65%	0.648	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	172.7	-62.9	-174.9	-173.2	178.8	0	112.7	D423 G484	D423-K482 HydrophobicContact CB-CD 4.48Å; D423-K482 VanDerWaalsContact O-CD 3.31Å; D423-K482 WeakPolarHBondContact O-CD 3.12Å; D423-K482 VanDerWaalsContact O-CE 3.29Å; D423-K482 WeakPolarHBondContact O-CE 3.43Å; D423-K482 IonicContact OD2-NZ 3.77Å; D423-K482 PolarHBondContact OD2-NZ 2.82Å; K482-G484 VanDerWaalsContact C-N 3.28Å
483	T	94	Very high	96.5	Very high	46 Å²	46	51.1 Å²	51.1	28%	0.282	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	177.3	69.5	0	0	0	0	113.3	R426 T481 R485	R426-T483 HydrophobicContact CG-CG2 4.45Å; R426-T483 VanDerWaalsContact CZ-CG2 3.42Å; R426-T483 VanDerWaalsContact NH2-CG2 3.31Å; T481-T483 PolarHBondContact O-N 3.32Å; T481-T483 VanDerWaalsContact O-N 3.15Å; T481-T483 PolarHBondContact OG1-N 2.72Å; T481-T483 PolarHBondContact OG1-OG1 3.27Å; T483-R485 VanDerWaalsContact C-N 3.31Å
484	G	95.3	Very high	96.5	Very high	38 Å²	38	52.4 Å²	52.4	39%	0.392	27%	0.269	S	S	.	.	S	Bend	trans	85.2	-3.2	-177.8	0	0	0	0	0	115	K480 T481 K482	K480-G484 VanDerWaalsContact CE-O 3.29Å; K480-G484 WeakPolarHBondContact CE-O 3.46Å; T481-G484 PolarHBondContact O-N 2.61Å; K482-G484 VanDerWaalsContact C-N 3.28Å
485	R	95.5	Very high	96.5	Very high	66 Å²	66	52.3 Å²	52.3	25%	0.249	27%	0.268	C	S	.	.			trans	-70.6	156.6	172.3	-66.6	179.4	173	89.9	9	110.5	E433 D434 K480 T481 T483	E433-R485 IonicContact OE2-CZ 2.64Å; E433-R485 VanDerWaalsContact OE2-CZ 3.3Å; E433-R485 IonicContact OE2-NE 3.18Å; E433-R485 PolarHBondContact OE2-NE 2.98Å; E433-R485 IonicContact OE2-NH2 2.9Å; E433-R485 PolarHBondContact OE2-NH2 3.47Å; D434-R485 IonicContact OD1-CZ 3.68Å; D434-R485 VanDerWaalsContact OD1-CZ 3.3Å; D434-R485 IonicContact OD1-NH1 3.64Å; D434-R485 PolarHBondContact OD1-NH1 2.75Å; D434-R485 IonicContact OD1-NH2 2.76Å; D434-R485 PolarHBondContact OD1-NH2 2.83Å; D434-R485 IonicContact OD2-CZ 3.25Å; D434-R485 IonicContact OD2-NH1 3.78Å; D434-R485 PolarHBondContact OD2-NH1 2.76Å; K480-R485 CarbonylContact C-O 3.58Å; K480-R485 WeakPolarHBondContact CA-O 3.22Å; T481-R485 PolarHBondContact N-O 2.83Å; T481-R485 PolarHBondContact OG1-N 2.71Å; T481-R485 PolarHBondContact OG1-O 2.74Å; T483-R485 VanDerWaalsContact C-N 3.31Å
486	V	96.1	Very high	96.4	Very high	78 Å²	78	53.4 Å²	53.4	47%	0.473	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.7	173.3	178.8	0	0	0	0	108.5	E478 Y479	E478-V486 HydrophobicContact CG-CG1 3.7Å; Y479-V486 WeakPolarHBondContact O-CA 3.35Å
487	N	96	Very high	96.3	Very high	15 Å²	15	58.3 Å²	58.3	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.5	173.2	-79.8	5.1	0	0	0	109.6	C425 E478 Y479 T481	C425-N487 PolarHBondContact O-ND2 2.82Å; E478-N487 WeakPolarHBondContact CA-O 3.42Å; Y479-N487 HydrophobicContact CD1-CB 4.37Å; Y479-N487 HydrophobicContact CD2-CB 4.37Å; Y479-N487 HydrophobicContact CE1-CB 3.84Å; Y479-N487 HydrophobicContact CE2-CB 3.84Å; Y479-N487 PolarHBondContact N-O 3.42Å; Y479-N487 PolarHBondContact O-N 2.81Å; Y479-N487 PolarHBondContact OH-ND2 3.44Å; T481-N487 HydrophobicContact CG2-CB 4.12Å; T481-N487 VanDerWaalsContact CG2-CG 3.45Å; T481-N487 WeakPolarHBondContact CG2-ND2 3.42Å
488	K	96.9	Very high	96.1	Very high	92 Å²	92	57 Å²	57	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.3	177.4	-66.7	179.9	-170.3	169.6	0	108.6	D328 E478 V490 N493	D328-K488 IonicContact OD2-NZ 3.91Å; E478-K488 HydrophobicContact CG-CG 4.4Å; K488-V490 PolarHBondContact O-N 3.35Å; K488-N493 HydrophobicContact CB-CB 4.49Å
489	G	97.3	Very high	95.7	Very high	20 Å²	20	57.9 Å²	57.9	21%	0.206	29%	0.292	C	S	.	.			trans	-66.6	129.1	171.8	0	0	0	0	0	110.4	V477 N493	V477-G489 PolarHBondContact O-N 3.47Å; G489-N493 PolarHBondContact N-ND2 2.86Å; G489-N493 WeakPolarHBondContact O-CB 3.44Å; G489-N493 PolarHBondContact O-N 3.22Å; G489-N493 VanDerWaalsContact O-N 3.13Å; G489-N493 PolarHBondContact O-ND2 2.84Å
490	V	98.2	Very high	95.3	Very high	25 Å²	25	56.2 Å²	56.2	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-55.8	-62.3	-172.1	-175.4	0	0	0	0	111.4	P325 T326 T379 L452 K488 T492 W494	P325-V490 HydrophobicContact CB-CG1 4.01Å; P325-V490 HydrophobicContact CG-CG1 3.86Å; T326-V490 WeakPolarHBondContact O-CG1 3.48Å; T379-V490 HydrophobicContact CG2-CG2 3.57Å; T379-V490 WeakPolarHBondContact OG1-CG2 3.46Å; L452-V490 HydrophobicContact CD1-CG1 4.3Å; K488-V490 PolarHBondContact O-N 3.35Å; V490-T492 PolarHBondContact O-N 2.87Å; V490-W494 WeakPolarHBondContact O-CB 3.29Å; V490-W494 PolarHBondContact O-N 3.41Å
491	A	98.1	Very high	94.4	Very high	9 Å²	9	54.8 Å²	54.8	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-43.3	-172.8	0	0	0	0	0	113.5	P325 R455 Y457 W494 L495	P325-A491 HydrophobicContact CB-CB 3.89Å; P325-A491 HydrophobicContact CG-CB 4.03Å; R455-A491 HydrophobicContact CB-CB 3.62Å; R455-A491 HydrophobicContact CG-CB 4.05Å; Y457-A491 WeakPolarHBondContact OH-CB 3.44Å; A491-W494 PolarHBondContact O-N 3.29Å; A491-L495 WeakPolarHBondContact O-CB 3.31Å; A491-L495 VanDerWaalsContact O-CG 3.28Å; A491-L495 WeakPolarHBondContact O-CG 3.45Å; A491-L495 PolarHBondContact O-N 3.5Å
492	T	97.9	Very high	93.3	Very high	12 Å²	12	55.3 Å²	55.3	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-35.8	-174.1	55.3	0	0	0	0	112.5	Y457 V475 V477 V490 K496	Y457-T492 HydrophobicContact CE1-CG2 4.28Å; Y457-T492 VanDerWaalsContact OH-CG2 3.31Å; Y457-T492 WeakPolarHBondContact OH-CG2 3.32Å; V475-T492 WeakPolarHBondContact O-CG2 3.47Å; V477-T492 PolarHBondContact N-OG1 3.49Å; V490-T492 PolarHBondContact O-N 2.87Å; T492-K496 VanDerWaalsContact O-CB 3.23Å; T492-K496 WeakPolarHBondContact O-CB 3.19Å; T492-K496 PolarHBondContact O-N 3.48Å
493	N	97.8	Very high	91.7	Very high	18 Å²	18	57.5 Å²	57.5	10%	0.096	31%	0.312	C	S	.	.	H	α-helix	trans	-71.3	-37.1	172.5	-76.9	-87	0	0	0	111.8	V477 K488 G489 K496 N497	V477-N493 PolarHBondContact O-ND2 3.4Å; K488-N493 HydrophobicContact CB-CB 4.49Å; G489-N493 PolarHBondContact N-ND2 2.86Å; G489-N493 WeakPolarHBondContact O-CB 3.44Å; G489-N493 PolarHBondContact O-N 3.22Å; G489-N493 VanDerWaalsContact O-N 3.13Å; G489-N493 PolarHBondContact O-ND2 2.84Å; N493-K496 PolarHBondContact O-N 2.8Å; N493-N497 VanDerWaalsContact O-CG 3.31Å; N493-N497 PolarHBondContact O-N 2.87Å; N493-N497 PolarHBondContact O-ND2 3.27Å
494	W	97.5	Very high	90.3	Very high	35 Å²	35	64.8 Å²	64.8	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-46	174.4	178.4	79.3	0	0	0	112.2	V323 F324 P325 T326 V490 A491 N497 V507	V323-W494 HydrophobicContact CG1-CE3 4.22Å; V323-W494 HydrophobicContact CG1-CH2 4.25Å; V323-W494 HydrophobicContact CG1-CZ3 3.45Å; V323-W494 VanDerWaalsContact CG1-CZ3 3.45Å; F324-W494 WeakPolarHBondContact O-CH2 3.4Å; P325-W494 HydrophobicContact CB-CB 4.37Å; P325-W494 HydrophobicContact CB-CD2 4.11Å; P325-W494 HydrophobicContact CB-CE3 3.92Å; P325-W494 HydrophobicContact CB-CG 4.36Å; P325-W494 HydrophobicContact CB-CZ3 4.49Å; T326-W494 HydrophobicContact CG2-CZ2 4.36Å; T326-W494 PolarHBondContact OG1-NE1 2.96Å; V490-W494 WeakPolarHBondContact O-CB 3.29Å; V490-W494 PolarHBondContact O-N 3.41Å; A491-W494 PolarHBondContact O-N 3.29Å; W494-N497 PolarHBondContact O-N 3.42Å; W494-V507 HydrophobicContact CH2-CB 4.19Å; W494-V507 HydrophobicContact CH2-CG1 3.96Å; W494-V507 HydrophobicContact CH2-CG2 4.03Å; W494-V507 HydrophobicContact CZ3-CB 4.42Å; W494-V507 HydrophobicContact CZ3-CG1 3.88Å; W494-V507 HydrophobicContact CZ3-CG2 4.07Å
495	L	97.3	Very high	89.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-44.1	175.6	-75.5	176.7	0	0	0	112.2	N290 M302 L304 V323 Y457 A491 N497 K498 V507	N290-L495 PolarHBondContact ND2-O 2.95Å; M302-L495 HydrophobicContact CE-CB 3.66Å; M302-L495 HydrophobicContact CE-CD1 4.26Å; L304-L495 HydrophobicContact CD2-CB 4.01Å; L304-L495 HydrophobicContact CD2-CD2 4.14Å; V323-L495 HydrophobicContact CG1-CD2 4.27Å; Y457-L495 HydrophobicContact CE2-CD1 3.75Å; A491-L495 WeakPolarHBondContact O-CB 3.31Å; A491-L495 VanDerWaalsContact O-CG 3.28Å; A491-L495 WeakPolarHBondContact O-CG 3.45Å; A491-L495 PolarHBondContact O-N 3.5Å; L495-N497 PolarHBondContact O-N 3.26Å; L495-N497 VanDerWaalsContact O-N 3.16Å; L495-K498 WeakPolarHBondContact O-CB 3.44Å; L495-K498 PolarHBondContact O-N 2.92Å; L495-V507 HydrophobicContact CD2-CG1 4.2Å; L495-V507 HydrophobicContact CD2-CG2 3.9Å
496	K	95.8	Very high	89.8	Confident	65 Å²	65	62.5 Å²	62.5	28%	0.283	33%	0.326	S	S	.	.	H	α-helix	trans	-51.9	-39.3	176.8	-179.6	-164.6	-174.1	-179.3	0	111.8	N290 M302 V476 T492 N493 K498	N290-K496 PolarHBondContact ND2-O 3.34Å; N290-K496 VanDerWaalsContact ND2-O 3.1Å; M302-K496 HydrophobicContact SD-CB 4.01Å; V476-K496 HydrophobicContact CG1-CD 4.18Å; V476-K496 HydrophobicContact CG2-CB 3.99Å; V476-K496 HydrophobicContact CG2-CD 3.9Å; V476-K496 HydrophobicContact CG2-CG 4.1Å; T492-K496 VanDerWaalsContact O-CB 3.23Å; T492-K496 WeakPolarHBondContact O-CB 3.19Å; T492-K496 PolarHBondContact O-N 3.48Å; N493-K496 PolarHBondContact O-N 2.8Å; K496-K498 VanDerWaalsContact C-N 3.34Å
497	N	94	Very high	89.9	Confident	117 Å²	117	58.8 Å²	58.8	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	2.3	-176.3	-64.9	-24.4	0	0	0	113.9	N493 W494 L495 L499	N493-N497 VanDerWaalsContact O-CG 3.31Å; N493-N497 PolarHBondContact O-N 2.87Å; N493-N497 PolarHBondContact O-ND2 3.27Å; W494-N497 PolarHBondContact O-N 3.42Å; L495-N497 PolarHBondContact O-N 3.26Å; L495-N497 VanDerWaalsContact O-N 3.16Å; N497-L499 PolarHBondContact O-N 2.69Å
498	K	93.9	Very high	89.9	Confident	37 Å²	37	58.7 Å²	58.7	16%	0.161	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70	128.6	176.3	-70.4	-71.7	173.3	173.7	0	111.1	V287 N290 L495 K496 T506 V507	V287-K498 HydrophobicContact CB-CB 4.48Å; V287-K498 HydrophobicContact CG1-CB 4.47Å; V287-K498 HydrophobicContact CG2-CB 3.93Å; V287-K498 HydrophobicContact CG2-CG 4.22Å; N290-K498 PolarHBondContact ND2-O 3.3Å; L495-K498 WeakPolarHBondContact O-CB 3.44Å; L495-K498 PolarHBondContact O-N 2.92Å; K496-K498 VanDerWaalsContact C-N 3.34Å; K498-T506 PolarHBondContact NZ-O 2.71Å; K498-V507 HydrophobicContact CD-CG2 4.28Å; K498-V507 HydrophobicContact CG-CG2 4.25Å
499	L	87.5	Confident	90	Very high	123 Å²	123	54.3 Å²	54.3	64%	0.644	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-78.2	133.5	177	-62	177.9	0	0	0	110.5	N497 S505	N497-L499 PolarHBondContact O-N 2.69Å; L499-S505 PolarHBondContact N-OG 2.81Å; L499-S505 WeakPolarHBondContact O-CB 3.46Å; L499-S505 PolarHBondContact O-OG 3.34Å
500	V	87.5	Confident	90	Very high	66 Å²	66	54.4 Å²	54.4	40%	0.4	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	128.2	173.8	174.6	0	0	0	0	109.7	T288 N290 G502	T288-V500 WeakPolarHBondContact O-CG1 3.45Å; N290-V500 HydrophobicContact CB-CG2 3.73Å; V500-G502 PolarHBondContact O-N 3.5Å
501	N	76.5	Confident	90	Very high	127 Å²	127	54.7 Å²	54.7	68%	0.679	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	22.4	-179.1	-59.1	-37.8	0	0	0	114	V287	V287-N501 PolarHBondContact O-N 3.34Å; V287-N501 VanDerWaalsContact O-N 3.08Å
502	G	72.1	Confident	89.7	Confident	24 Å²	24	56.1 Å²	56.1	25%	0.247	28%	0.283	C	S	.	.			trans	-69.4	141.5	176	0	0	0	0	0	110.5	V500 K504 S505	V500-G502 PolarHBondContact O-N 3.5Å; G502-K504 PolarHBondContact O-N 2.75Å; G502-S505 PolarHBondContact O-N 2.86Å
503	H	60.3	Low	89.4	Confident	195 Å²	195	63.7 Å²	63.7	90%	0.903	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	117.7	170.6	-98	63.6	0	0	0	109.3	S505	H503-S505 VanDerWaalsContact C-N 3.31Å; H503-S505 PolarHBondContact O-N 2.98Å
504	K	65.7	Low	89.1	Confident	199 Å²	199	63.9 Å²	63.9	87%	0.865	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	18.6	-178	-50.6	-179.5	176.6	-177.6	0	116.2	G502 T506	G502-K504 PolarHBondContact O-N 2.75Å; K504-T506 VanDerWaalsContact C-N 3.26Å; K504-T506 PolarHBondContact O-N 3.09Å
505	S	84.9	Confident	88.7	Confident	17 Å²	17	70.5 Å²	70.5	12%	0.119	35%	0.35	C	S	.	.			trans	-78.6	77.5	172.4	-168.3	0	0	0	0	110.6	V287 L499 G502 H503	V287-S505 PolarHBondContact N-O 3.19Å; L499-S505 PolarHBondContact N-OG 2.81Å; L499-S505 WeakPolarHBondContact O-CB 3.46Å; L499-S505 PolarHBondContact O-OG 3.34Å; G502-S505 PolarHBondContact O-N 2.86Å; H503-S505 VanDerWaalsContact C-N 3.31Å; H503-S505 PolarHBondContact O-N 2.98Å
506	T	94.4	Very high	88.6	Confident	39 Å²	39	70.7 Å²	70.7	24%	0.239	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.7	179.4	59.1	0	0	0	0	112	L284 A285 P286 K498 K504	L284-T506 HydrophobicContact CB-CG2 4.3Å; A285-T506 CarbonylContact O-C 3.56Å; A285-T506 VanDerWaalsContact O-CA 3.28Å; A285-T506 WeakPolarHBondContact O-CA 3.39Å; P286-T506 HydrophobicContact CG-CG2 4.44Å; K498-T506 PolarHBondContact NZ-O 2.71Å; K504-T506 VanDerWaalsContact C-N 3.26Å; K504-T506 PolarHBondContact O-N 3.09Å
507	V	97.4	Very high	88.6	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.9	177.8	173.3	0	0	0	0	108.1	F283 A285 V287 L306 V323 W494 L495 K498 M509	F283-V507 VanDerWaalsContact O-O 3.08Å; A285-V507 PolarHBondContact N-O 2.95Å; A285-V507 PolarHBondContact O-N 3.14Å; V287-V507 HydrophobicContact CG2-CG2 3.59Å; L306-V507 HydrophobicContact CD1-CB 4.45Å; L306-V507 HydrophobicContact CD1-CG1 4.16Å; L306-V507 HydrophobicContact CD2-CB 4.09Å; L306-V507 HydrophobicContact CD2-CG2 3.99Å; V323-V507 HydrophobicContact CB-CG1 4.32Å; V323-V507 HydrophobicContact CG1-CG1 3.6Å; V323-V507 HydrophobicContact CG2-CG1 3.9Å; W494-V507 HydrophobicContact CH2-CB 4.19Å; W494-V507 HydrophobicContact CH2-CG1 3.96Å; W494-V507 HydrophobicContact CH2-CG2 4.03Å; W494-V507 HydrophobicContact CZ3-CB 4.42Å; W494-V507 HydrophobicContact CZ3-CG1 3.88Å; W494-V507 HydrophobicContact CZ3-CG2 4.07Å; L495-V507 HydrophobicContact CD2-CG1 4.2Å; L495-V507 HydrophobicContact CD2-CG2 3.9Å; K498-V507 HydrophobicContact CD-CG2 4.28Å; K498-V507 HydrophobicContact CG-CG2 4.25Å; V507-M509 HydrophobicContact CG1-CB 4.4Å; V507-M509 PolarHBondContact O-N 2.81Å
508	P	97.9	Very high	88.8	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	116.6	172.2	-7.7	22.9	0	0	0	109.3	F270 P282 F283 L284 F324	F270-P508 HydrophobicContact CE1-CB 4.47Å; F270-P508 HydrophobicContact CE2-CB 4.31Å; F270-P508 HydrophobicContact CE2-CG 3.94Å; F270-P508 HydrophobicContact CZ-CB 3.84Å; F270-P508 HydrophobicContact CZ-CG 3.98Å; P282-P508 HydrophobicContact CB-CB 4.12Å; P282-P508 HydrophobicContact CG-CB 4Å; F283-P508 CarbonylContact O-C 3.51Å; F283-P508 WeakPolarHBondContact O-CA 3.34Å; L284-P508 HydrophobicContact CD2-CB 3.59Å; L284-P508 HydrophobicContact CD2-CG 3.53Å; F324-P508 HydrophobicContact CB-CB 4.23Å; F324-P508 PolarHBondContact N-O 3.29Å
509	M	98.2	Very high	89	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.1	-175.1	62.7	72.9	56.3	0	0	113.2	P282 F283 A285 L306 I308 I313 V321 A322 V323 I470 V507 I511	P282-M509 CarbonylContact C-O 3.54Å; P282-M509 WeakPolarHBondContact CA-O 3.21Å; F283-M509 HydrophobicContact CB-SD 4.27Å; F283-M509 HydrophobicContact CD1-SD 4.3Å; F283-M509 PolarHBondContact N-O 2.86Å; F283-M509 PolarHBondContact O-N 2.76Å; A285-M509 HydrophobicContact CB-CG 3.77Å; A285-M509 HydrophobicContact CB-SD 4.31Å; L306-M509 HydrophobicContact CD1-CG 4.21Å; I308-M509 HydrophobicContact CG2-SD 4.18Å; I313-M509 HydrophobicContact CD1-SD 4.01Å; V321-M509 HydrophobicContact CB-CE 4.29Å; V321-M509 HydrophobicContact CG2-CB 3.94Å; V321-M509 HydrophobicContact CG2-CE 3.36Å; V321-M509 HydrophobicContact CG2-CG 4.46Å; A322-M509 CarbonylContact O-C 3.59Å; A322-M509 WeakPolarHBondContact O-CA 3.22Å; A322-M509 VanDerWaalsContact O-CB 3.24Å; A322-M509 WeakPolarHBondContact O-CB 3.21Å; V323-M509 HydrophobicContact CG2-CB 4.36Å; I470-M509 HydrophobicContact CD1-CE 3.29Å; I470-M509 HydrophobicContact CD1-SD 4.37Å; V507-M509 HydrophobicContact CG1-CB 4.4Å; V507-M509 PolarHBondContact O-N 2.81Å; M509-I511 HydrophobicContact CE-CD1 3.75Å; M509-I511 HydrophobicContact CE-CG1 4.21Å
510	Y	97.8	Very high	89.3	Confident	22 Å²	22	69 Å²	69	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.5	168	67.3	-84.1	0	0	0	110	A322 F324 A454 Y456	A322-Y510 HydrophobicContact CB-CD1 3.73Å; A322-Y510 HydrophobicContact CB-CD2 4.16Å; A322-Y510 HydrophobicContact CB-CE1 3.27Å; A322-Y510 HydrophobicContact CB-CE2 3.75Å; A322-Y510 HydrophobicContact CB-CG 4.15Å; A322-Y510 PolarHBondContact N-O 3.33Å; A322-Y510 PolarHBondContact O-N 2.83Å; F324-Y510 HydrophobicContact CD2-CE1 4.49Å; F324-Y510 AromaticContact CE2-CD1 3.75Å; F324-Y510 HydrophobicContact CE2-CD1 3.75Å; F324-Y510 AromaticContact CE2-CE1 3.58Å; F324-Y510 HydrophobicContact CE2-CE1 3.58Å; F324-Y510 HydrophobicContact CZ-CD1 4.48Å; F324-Y510 AromaticContact CZ-CE1 3.9Å; F324-Y510 HydrophobicContact CZ-CE1 3.9Å; A454-Y510 HydrophobicContact CB-CE1 4.39Å; Y456-Y510 PolarHBondContact OH-OH 2.83Å
511	I	97.3	Very high	89.8	Confident	31 Å²	31	72.3 Å²	72.3	16%	0.159	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.5	178.6	-63.1	-57.7	0	0	0	109.8	I313 D319 V321 I459 I470 M509	I313-I511 HydrophobicContact CG2-CB 4.36Å; I313-I511 HydrophobicContact CG2-CG1 3.41Å; I313-I511 VanDerWaalsContact CG2-CG1 3.41Å; D319-I511 HydrophobicContact CB-CG2 4.22Å; V321-I511 HydrophobicContact CB-CD1 4.15Å; I459-I511 HydrophobicContact CD1-CD1 3.57Å; I470-I511 HydrophobicContact CD1-CD1 3.44Å; I470-I511 VanDerWaalsContact CD1-CD1 3.44Å; I470-I511 HydrophobicContact CD1-CG1 4.17Å; I470-I511 HydrophobicContact CG1-CD1 4.43Å; M509-I511 HydrophobicContact CE-CD1 3.75Å; M509-I511 HydrophobicContact CE-CG1 4.21Å
512	R	92.9	Very high	90.7	Very high	39 Å²	39	67.1 Å²	67.1	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	164.2	-171.4	-175.1	67.5	-166.4	4.3	108.5	Y140 H320 Y456	Y140-R512 VanDerWaalsContact CE1-NH1 3.27Å; Y140-R512 PolarHBondContact OH-NH1 2.82Å; H320-R512 PolarHBondContact N-O 2.89Å; H320-R512 VanDerWaalsContact N-O 3.08Å; H320-R512 PolarHBondContact ND1-NH2 2.7Å; H320-R512 VanDerWaalsContact ND1-NH2 3.14Å; H320-R512 PolarHBondContact O-N 2.84Å; Y456-R512 HydrophobicContact CE1-CB 4.06Å; Y456-R512 VanDerWaalsContact CE1-NH1 3.34Å
513	K	91.3	Very high	91.9	Very high	170 Å²	170	68.6 Å²	68.6	74%	0.739	32%	0.324	S	S	*	.			trans	-69.5	147.6	176.2	-69.6	-175.8	-179	177	0	110.7	D319	D319-K513 VanDerWaalsContact OD1-CA 3.24Å; D319-K513 WeakPolarHBondContact OD1-CA 3.39Å
514	S	90.2	Very high	93.7	Very high	22 Å²	22	61 Å²	61	15%	0.154	29%	0.29	C	S	.	.			trans	-128.4	160.5	179.4	172.8	0	0	0	0	110.5	G318 D319 F516 R517	G318-S514 WeakPolarHBondContact O-CB 3.36Å; G318-S514 PolarHBondContact O-OG 2.79Å; D319-S514 PolarHBondContact OD1-N 2.83Å; S514-F516 VanDerWaalsContact C-N 3.32Å; S514-F516 VanDerWaalsContact OG-CB 3.27Å; S514-F516 WeakPolarHBondContact OG-CB 3.45Å; S514-F516 PolarHBondContact OG-N 2.64Å; S514-R517 PolarHBondContact O-NH1 2.8Å; S514-R517 PolarHBondContact O-NH2 3.22Å
515	Q	89.4	Confident	95.3	Very high	174 Å²	174	51.9 Å²	51.9	81%	0.813	25%	0.252	S	S	*	.	S	Bend	trans	-88.6	-3	169.2	-57.7	-59.2	-17.5	0	0	112.5	R517	Q515-R517 PolarHBondContact O-N 3.3Å
516	F	95.3	Very high	96	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	25%	0.246	C	C	.	.			trans	-73.7	93.5	177.3	-159.4	-98	0	0	0	109.6	G318 S514 P537 F538 F541 Y626 C628 D673	G318-F516 WeakPolarHBondContact CA-O 3.49Å; S514-F516 VanDerWaalsContact C-N 3.32Å; S514-F516 VanDerWaalsContact OG-CB 3.27Å; S514-F516 WeakPolarHBondContact OG-CB 3.45Å; S514-F516 PolarHBondContact OG-N 2.64Å; F516-P537 HydrophobicContact CD1-CB 4.21Å; F516-P537 HydrophobicContact CE1-CB 3.9Å; F516-P537 HydrophobicContact CE1-CG 3.84Å; F516-P537 HydrophobicContact CZ-CG 4.46Å; F516-F538 AromaticContact CE1-CE1 3.81Å; F516-F538 HydrophobicContact CE1-CE1 3.81Å; F516-F538 HydrophobicContact CE1-CZ 4.37Å; F516-F538 AromaticContact CZ-CE1 3.7Å; F516-F538 HydrophobicContact CZ-CE1 3.7Å; F516-F538 AromaticContact CZ-CZ 3.88Å; F516-F538 HydrophobicContact CZ-CZ 3.88Å; F516-F541 HydrophobicContact CD1-CE1 4.39Å; F516-F541 HydrophobicContact CD1-CE2 4.2Å; F516-F541 AromaticContact CD1-CZ 3.63Å; F516-F541 HydrophobicContact CD1-CZ 3.63Å; F516-F541 AromaticContact CE1-CE2 3.88Å; F516-F541 HydrophobicContact CE1-CE2 3.88Å; F516-F541 AromaticContact CE1-CZ 3.77Å; F516-F541 HydrophobicContact CE1-CZ 3.77Å; F516-Y626 HydrophobicContact CD1-CD1 4.45Å; F516-Y626 HydrophobicContact CD2-CD1 4.21Å; F516-Y626 HydrophobicContact CE1-CD1 4.07Å; F516-Y626 AromaticContact CE2-CD1 3.81Å; F516-Y626 HydrophobicContact CE2-CD1 3.81Å; F516-Y626 HydrophobicContact CE2-CG 4.44Å; F516-Y626 AromaticContact CZ-CD1 3.78Å; F516-Y626 HydrophobicContact CZ-CD1 3.78Å; F516-Y626 HydrophobicContact CZ-CG 4.12Å; F516-C628 HydrophobicContact CZ-CB 4.34Å; F516-D673 HydrophobicContact CD1-CB 4.41Å; F516-D673 HydrophobicContact CD2-CB 3.7Å; F516-D673 HydrophobicContact CE1-CB 4.45Å; F516-D673 HydrophobicContact CE2-CB 3.74Å; F516-D673 HydrophobicContact CG-CB 4.02Å; F516-D673 HydrophobicContact CZ-CB 4.09Å
517	R	96.5	Very high	96.2	Very high	52 Å²	52	49.2 Å²	49.2	20%	0.196	24%	0.235	C	C	.	.			trans	-134.6	145.8	-170.6	-70	-62.6	-171	-88.4	-4.4	112.7	E316 D319 S514 Q515 Y626	E316-R517 IonicContact OE2-CZ 2.78Å; E316-R517 IonicContact OE2-NE 2.82Å; E316-R517 PolarHBondContact OE2-NE 3.04Å; E316-R517 IonicContact OE2-NH2 3.3Å; E316-R517 PolarHBondContact OE2-NH2 3.3Å; D319-R517 IonicContact OD1-CZ 2.62Å; D319-R517 IonicContact OD1-NH1 3.09Å; D319-R517 PolarHBondContact OD1-NH1 3.08Å; D319-R517 IonicContact OD1-NH2 3.75Å; D319-R517 PolarHBondContact OD1-NH2 2.92Å; D319-R517 IonicContact OD2-NH2 3.62Å; D319-R517 PolarHBondContact OD2-NH2 3.26Å; S514-R517 PolarHBondContact O-NH1 2.8Å; S514-R517 PolarHBondContact O-NH2 3.22Å; Q515-R517 PolarHBondContact O-N 3.3Å; R517-Y626 WeakPolarHBondContact O-CE1 3.44Å; R517-Y626 VanDerWaalsContact O-CZ 3.23Å; R517-Y626 PolarHBondContact O-OH 3.19Å
518	L	97.9	Very high	96.2	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.136	24%	0.235	C	C	.	.			trans	-58.3	153.5	166.7	-79.6	176	0	0	0	111.2	V526 F541 E544 R545	L518-V526 HydrophobicContact CD2-CG1 4.02Å; L518-F541 HydrophobicContact CD1-CB 4.29Å; L518-F541 HydrophobicContact CD1-CD1 4.21Å; L518-F541 HydrophobicContact CD1-CG 4.23Å; L518-F541 HydrophobicContact CD2-CB 3.99Å; L518-F541 HydrophobicContact CD2-CD1 4.23Å; L518-F541 HydrophobicContact CD2-CD2 3.52Å; L518-F541 HydrophobicContact CD2-CE2 3.98Å; L518-F541 HydrophobicContact CD2-CG 3.66Å; L518-F541 HydrophobicContact CG-CB 4.24Å; L518-F541 HydrophobicContact CG-CD1 3.76Å; L518-F541 HydrophobicContact CG-CD2 3.95Å; L518-F541 HydrophobicContact CG-CE1 4.02Å; L518-F541 HydrophobicContact CG-CE2 4.19Å; L518-F541 HydrophobicContact CG-CG 3.72Å; L518-F541 HydrophobicContact CG-CZ 4.23Å; L518-E544 HydrophobicContact CD1-CB 3.88Å; L518-E544 HydrophobicContact CD1-CG 4.07Å; L518-R545 HydrophobicContact CD1-CG 4.31Å; L518-R545 HydrophobicContact CD2-CG 4.48Å
519	P	97.3	Very high	96.3	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.078	23%	0.231	C	C	.	.			trans	-61.1	141.3	175.3	-18.3	32	0	0	0	110.9	K521 N524 V526 H624 Y626	P519-K521 VanDerWaalsContact C-N 3.25Å; P519-K521 PolarHBondContact O-N 2.97Å; P519-N524 HydrophobicContact CB-CB 3.83Å; P519-N524 HydrophobicContact CG-CB 4.14Å; P519-V526 HydrophobicContact CG-CG1 3.69Å; P519-H624 HydrophobicContact CG-CB 3.89Å; P519-H624 VanDerWaalsContact CG-CD2 3.5Å; P519-H624 WeakPolarHBondContact CG-CD2 2.85Å; P519-Y626 VanDerWaalsContact CD-OH 3.28Å; P519-Y626 WeakPolarHBondContact CD-OH 3.12Å
520	F	94.8	Very high	96.3	Very high	217 Å²	217	48.6 Å²	48.6	95%	0.952	23%	0.231	S	C	*	.	S	Bend	trans	-58.1	-38.9	176.5	-176.2	-94.8	0	0	0	112.5
521	K	96.7	Very high	96.2	Very high	136 Å²	136	49 Å²	49	59%	0.591	24%	0.236	S	C	*	.	S	Bend	trans	-84.2	114.9	174.2	-67.9	-175.4	-179	-179	0	109.8	P519 S523 N524	P519-K521 VanDerWaalsContact C-N 3.25Å; P519-K521 PolarHBondContact O-N 2.97Å; K521-S523 PolarHBondContact O-N 3.44Å; K521-N524 WeakPolarHBondContact O-CB 3.33Å; K521-N524 PolarHBondContact O-N 2.65Å
522	A	96.9	Very high	96.1	Very high	17 Å²	17	48.6 Å²	48.6	14%	0.14	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.5	177.6	0	0	0	0	0	113.2	N524 R545 L548 E554 V555 G556	A522-N524 VanDerWaalsContact C-N 3.27Å; A522-N524 PolarHBondContact O-N 2.9Å; A522-R545 PolarHBondContact O-NH1 2.98Å; A522-L548 HydrophobicContact CB-CD1 4.07Å; A522-E554 CarbonylContact C-O 3.57Å; A522-V555 HydrophobicContact CB-CG2 4.43Å; A522-V555 WeakPolarHBondContact O-CA 3.17Å; A522-G556 PolarHBondContact O-N 3.29Å
523	S	97.5	Very high	96.3	Very high	56 Å²	56	48 Å²	48	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.2	176.8	56	0	0	0	0	114	K521 E554 G556	K521-S523 PolarHBondContact O-N 3.44Å; S523-E554 PolarHBondContact N-O 2.71Å; S523-G556 VanDerWaalsContact O-CA 3.29Å; S523-G556 WeakPolarHBondContact O-CA 3.37Å
524	N	98.2	Very high	96.5	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	20%	0.204	C	C	.	.	S	Bend	trans	-68.9	130.6	175.1	-74.4	15.4	0	0	0	109.6	P519 K521 A522 R545	P519-N524 HydrophobicContact CB-CB 3.83Å; P519-N524 HydrophobicContact CG-CB 4.14Å; K521-N524 WeakPolarHBondContact O-CB 3.33Å; K521-N524 PolarHBondContact O-N 2.65Å; A522-N524 VanDerWaalsContact C-N 3.27Å; A522-N524 PolarHBondContact O-N 2.9Å; N524-R545 PolarHBondContact O-NH1 3.37Å; N524-R545 VanDerWaalsContact O-NH1 3.09Å; N524-R545 PolarHBondContact O-NH2 2.92Å
525	P	98.6	Very high	96.9	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.058	20%	0.197	C	C	.	.			trans	-66.9	158.1	176.2	-20.9	33.2	0	0	0	113.3	E557 L617 D621 A623 H624	P525-E557 CarbonylContact C-O 3.6Å; P525-E557 WeakPolarHBondContact CA-O 3.44Å; P525-E557 HydrophobicContact CB-CB 4.15Å; P525-L617 HydrophobicContact CB-CD2 3.93Å; P525-L617 HydrophobicContact CG-CD2 3.98Å; P525-D621 WeakPolarHBondContact CD-O 3.24Å; P525-D621 HydrophobicContact CG-CB 3.95Å; P525-A623 HydrophobicContact CB-CB 3.86Å; P525-A623 HydrophobicContact CG-CB 4.45Å; P525-A623 CarbonylContact O-C 3.49Å; P525-A623 VanDerWaalsContact O-CA 3.26Å; P525-A623 WeakPolarHBondContact O-CA 3.44Å; P525-H624 PolarHBondContact O-N 2.78Å
526	V	98.7	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.1	174.6	-62.9	0	0	0	0	111.5	L518 P519 M528 E557 T558 V559 H624 Y626	L518-V526 HydrophobicContact CD2-CG1 4.02Å; P519-V526 HydrophobicContact CG-CG1 3.69Å; V526-M528 HydrophobicContact CG2-SD 4.5Å; V526-E557 PolarHBondContact N-O 3.15Å; V526-T558 HydrophobicContact CG2-CG2 3.68Å; V526-V559 PolarHBondContact O-N 3.04Å; V526-H624 CarbonylContact C-O 3.58Å; V526-H624 WeakPolarHBondContact CA-O 3.48Å; V526-Y626 HydrophobicContact CB-CD2 4.39Å; V526-Y626 HydrophobicContact CB-CE2 4.03Å; V526-Y626 HydrophobicContact CG1-CE2 3.79Å
527	I	98.8	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.6	175.3	-52.3	174.3	0	0	0	106.8	I529 Y561 I614 L617 I618 A623 H624 I625 Y626	I527-I529 HydrophobicContact CG2-CD1 3.77Å; I527-I529 HydrophobicContact CG2-CG1 4.47Å; I527-Y561 HydrophobicContact CG2-CD2 4.06Å; I527-Y561 HydrophobicContact CG2-CE2 3.94Å; I527-I614 HydrophobicContact CD1-CG2 4.24Å; I527-L617 HydrophobicContact CD1-CB 4.16Å; I527-L617 HydrophobicContact CD1-CD1 4.16Å; I527-L617 HydrophobicContact CG1-CD1 4.18Å; I527-I618 HydrophobicContact CD1-CD1 4.27Å; I527-I618 HydrophobicContact CD1-CG1 3.91Å; I527-A623 HydrophobicContact CD1-CB 4.29Å; I527-A623 HydrophobicContact CG1-CB 4.39Å; I527-H624 PolarHBondContact N-O 2.7Å; I527-I625 HydrophobicContact CD1-CG1 4.43Å; I527-I625 CarbonylContact O-C 3.58Å; I527-I625 WeakPolarHBondContact O-CA 3.26Å; I527-Y626 PolarHBondContact O-N 3.5Å
528	M	98.8	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.2	-175.3	-61.7	176.5	-59.8	0	0	109.6	V526 F538 F541 V542 T558 V559 M560 Y561 L586 Y626	V526-M528 HydrophobicContact CG2-SD 4.5Å; M528-F538 HydrophobicContact CB-CB 4.47Å; M528-F538 HydrophobicContact CB-CD1 3.59Å; M528-F538 HydrophobicContact CB-CD2 4.09Å; M528-F538 HydrophobicContact CB-CE1 3.75Å; M528-F538 HydrophobicContact CB-CE2 4.21Å; M528-F538 HydrophobicContact CB-CG 3.78Å; M528-F538 HydrophobicContact CB-CZ 4.05Å; M528-F538 HydrophobicContact CG-CD1 3.53Å; M528-F538 HydrophobicContact CG-CE1 3.79Å; M528-F538 HydrophobicContact CG-CG 4.14Å; M528-F538 HydrophobicContact SD-CB 4Å; M528-F538 HydrophobicContact SD-CD1 3.63Å; M528-F538 HydrophobicContact SD-CE1 4.45Å; M528-F538 HydrophobicContact SD-CG 4.05Å; M528-F541 HydrophobicContact CG-CD2 4.44Å; M528-F541 HydrophobicContact SD-CB 3.76Å; M528-F541 HydrophobicContact SD-CD2 3.97Å; M528-F541 HydrophobicContact SD-CG 4.38Å; M528-V542 HydrophobicContact CE-CG2 3.84Å; M528-T558 HydrophobicContact CE-CG2 3.62Å; M528-V559 PolarHBondContact N-O 3.2Å; M528-M560 HydrophobicContact CB-SD 3.7Å; M528-M560 HydrophobicContact CE-CB 4.28Å; M528-M560 HydrophobicContact CE-SD 4.23Å; M528-M560 CarbonylContact O-C 3.54Å; M528-Y561 PolarHBondContact O-N 3.45Å; M528-L586 HydrophobicContact CE-CD2 3.83Å; M528-Y626 HydrophobicContact CG-CD2 4.43Å
529	I	98.8	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.1	-178.4	-53.3	90.7	0	0	0	108.9	I527 F538 Y561 V603 L607 I625 Y626 V627 C628 V638 F642	I527-I529 HydrophobicContact CG2-CD1 3.77Å; I527-I529 HydrophobicContact CG2-CG1 4.47Å; I529-F538 WeakPolarHBondContact O-CE2 3.37Å; I529-Y561 HydrophobicContact CG1-CD2 4.26Å; I529-Y561 HydrophobicContact CG1-CG 4.5Å; I529-V603 HydrophobicContact CG2-CB 4.06Å; I529-V603 HydrophobicContact CG2-CG2 3.76Å; I529-L607 HydrophobicContact CG1-CD1 4.37Å; I529-L607 HydrophobicContact CG1-CD2 4.2Å; I529-I625 HydrophobicContact CD1-CG2 3.92Å; I529-Y626 VanDerWaalsContact CD1-O 3.31Å; I529-Y626 WeakPolarHBondContact CD1-O 3.47Å; I529-Y626 PolarHBondContact N-O 2.72Å; I529-V627 HydrophobicContact CB-CG2 4.48Å; I529-V627 HydrophobicContact CD1-CG2 4.29Å; I529-V627 WeakPolarHBondContact O-CA 3.49Å; I529-C628 PolarHBondContact O-N 3.05Å; I529-V638 HydrophobicContact CG2-CG1 4.35Å; I529-V638 HydrophobicContact CG2-CG2 3.9Å; I529-F642 HydrophobicContact CD1-CE2 4.22Å; I529-F642 HydrophobicContact CD1-CZ 4.06Å
530	G	97.6	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.			trans	-149	75.4	-170.3	0	0	0	0	0	114.2	I535 Y561 F562 C628	G530-I535 PolarHBondContact O-N 2.91Å; G530-Y561 PolarHBondContact N-O 2.86Å; G530-F562 VanDerWaalsContact O-CD2 3.22Å; G530-F562 WeakPolarHBondContact O-CD2 3.09Å; G530-C628 WeakPolarHBondContact CA-O 3.46Å
531	P	96.6	Very high	97.9	Very high	31 Å²	31	16.4 Å²	16.4	20%	0.201	10%	0.096	C	C	.	.			trans	-69.3	147.7	176.7	27.9	-31.7	0	0	0	112.6	T533 G534 G563 V603 M634	P531-T533 PolarHBondContact O-N 2.97Å; P531-G534 PolarHBondContact O-N 3.35Å; P531-G563 CarbonylContact C-O 3.47Å; P531-G563 WeakPolarHBondContact CA-O 3.39Å; P531-V603 HydrophobicContact CB-CG1 4.17Å; P531-V603 HydrophobicContact CG-CG1 4.43Å; P531-V603 HydrophobicContact CG-CG2 4.28Å; P531-M634 HydrophobicContact CG-CE 4.07Å; P531-M634 HydrophobicContact CG-CG 3.53Å; P531-M634 HydrophobicContact CG-SD 3.84Å
532	G	95.7	Very high	98	Very high	21 Å²	21	10.5 Å²	10.5	22%	0.216	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	58.3	-132	-179.5	0	0	0	0	0	112.2	G534 I535 G563	G532-G534 PolarHBondContact O-N 3.31Å; G532-I535 WeakPolarHBondContact O-CG2 3.27Å; G532-I535 PolarHBondContact O-N 3.12Å; G532-G563 PolarHBondContact N-O 3.16Å
533	T	96.1	Very high	98	Very high	27 Å²	27	11.9 Å²	11.9	17%	0.166	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-68.4	-9.6	177.3	48.6	0	0	0	0	113.7	L301 V475 P531 I535 A536	L301-T533 HydrophobicContact CD2-CG2 4.23Å; V475-T533 HydrophobicContact CB-CG2 3.98Å; V475-T533 HydrophobicContact CG1-CG2 4.08Å; P531-T533 PolarHBondContact O-N 2.97Å; T533-I535 PolarHBondContact O-N 2.89Å; T533-I535 VanDerWaalsContact O-N 3.11Å; T533-A536 WeakPolarHBondContact O-CB 3.47Å; T533-A536 PolarHBondContact O-N 2.87Å; T533-A536 VanDerWaalsContact O-N 3.13Å
534	G	97.1	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.1	170.4	0	0	0	0	0	114	P531 G532 A536 F538 C628	P531-G534 PolarHBondContact O-N 3.35Å; G532-G534 PolarHBondContact O-N 3.31Å; G534-A536 PolarHBondContact O-N 2.75Å; G534-F538 WeakPolarHBondContact O-CD2 3.47Å; G534-F538 WeakPolarHBondContact O-CE2 3.02Å; G534-C628 WeakPolarHBondContact CA-O 3.33Å; G534-C628 VanDerWaalsContact O-CB 3.27Å; G534-C628 WeakPolarHBondContact O-CB 3.49Å; G534-C628 PolarHBondContact O-SG 3.13Å
535	I	98	Very high	98.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-69.5	-18.1	172.3	-164.5	164	0	0	0	113.5	G530 G532 T533 F538 M539 M560 F562 I572 Y573 L577	G530-I535 PolarHBondContact O-N 2.91Å; G532-I535 WeakPolarHBondContact O-CG2 3.27Å; G532-I535 PolarHBondContact O-N 3.12Å; T533-I535 PolarHBondContact O-N 2.89Å; T533-I535 VanDerWaalsContact O-N 3.11Å; I535-F538 WeakPolarHBondContact O-CA 3.42Å; I535-F538 WeakPolarHBondContact O-CB 3.31Å; I535-F538 PolarHBondContact O-N 2.83Å; I535-M539 HydrophobicContact CD1-SD 4Å; I535-M539 HydrophobicContact CG1-CG 4.24Å; I535-M539 HydrophobicContact CG1-SD 4.01Å; I535-M539 PolarHBondContact O-N 2.83Å; I535-M539 VanDerWaalsContact O-N 3.15Å; I535-M560 HydrophobicContact CB-CE 4.41Å; I535-M560 HydrophobicContact CD1-CE 3.99Å; I535-M560 HydrophobicContact CG1-CE 3.76Å; I535-F562 HydrophobicContact CB-CD2 4.07Å; I535-F562 HydrophobicContact CB-CE2 3.99Å; I535-F562 HydrophobicContact CD1-CD2 3.7Å; I535-F562 HydrophobicContact CD1-CE2 3.95Å; I535-F562 HydrophobicContact CD1-CG 4.24Å; I535-F562 HydrophobicContact CG1-CD2 4.29Å; I535-F562 HydrophobicContact CG2-CE2 4.33Å; I535-I572 HydrophobicContact CG2-CD1 3.56Å; I535-I572 HydrophobicContact CG2-CG1 4.11Å; I535-Y573 HydrophobicContact CD1-CD2 4.49Å; I535-Y573 HydrophobicContact CG2-CD2 4.08Å; I535-Y573 HydrophobicContact CG2-CE2 4.15Å; I535-L577 HydrophobicContact CD1-CD1 3.63Å; I535-L577 HydrophobicContact CD1-CD2 4.14Å; I535-L577 HydrophobicContact CD1-CG 4.35Å
536	A	98.2	Very high	98.1	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	6%	0.056	C	C	.	.	H	α-helix	trans	-46.9	-63.5	-169.5	0	0	0	0	0	113.5	A460 C473 T533 G534 F538 M539	A460-A536 WeakPolarHBondContact CA-O 3.1Å; A460-A536 HydrophobicContact CB-CB 4.31Å; A460-A536 WeakPolarHBondContact CB-O 3.08Å; C473-A536 HydrophobicContact CB-CB 3.84Å; T533-A536 WeakPolarHBondContact O-CB 3.47Å; T533-A536 PolarHBondContact O-N 2.87Å; T533-A536 VanDerWaalsContact O-N 3.13Å; G534-A536 PolarHBondContact O-N 2.75Å; A536-F538 PolarHBondContact O-N 2.96Å; A536-F538 VanDerWaalsContact O-N 3.16Å; A536-M539 PolarHBondContact O-N 3Å
537	P	98.2	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.9	-25.3	-178	29.2	-35.5	0	0	0	112.9	I459 F516 M539 G540 F541 C628	I459-P537 WeakPolarHBondContact O-CA 3.48Å; F516-P537 HydrophobicContact CD1-CB 4.21Å; F516-P537 HydrophobicContact CE1-CB 3.9Å; F516-P537 HydrophobicContact CE1-CG 3.84Å; F516-P537 HydrophobicContact CZ-CG 4.46Å; P537-M539 VanDerWaalsContact C-N 3.33Å; P537-M539 PolarHBondContact O-N 2.71Å; P537-G540 PolarHBondContact O-N 2.9Å; P537-G540 VanDerWaalsContact O-N 3.15Å; P537-F541 PolarHBondContact O-N 3.21Å; P537-C628 VanDerWaalsContact CD-SG 3.52Å; P537-C628 HydrophobicContact CG-CB 4.03Å; P537-C628 WeakPolarHBondContact CG-SG 3.2Å
538	F	98.8	Very high	98.1	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-72	-26.1	-179.5	-57.2	-43.4	0	0	0	113.3	F516 M528 I529 G534 I535 A536 G540 F541 V542 M560 Y626 C628	F516-F538 AromaticContact CE1-CE1 3.81Å; F516-F538 HydrophobicContact CE1-CE1 3.81Å; F516-F538 HydrophobicContact CE1-CZ 4.37Å; F516-F538 AromaticContact CZ-CE1 3.7Å; F516-F538 HydrophobicContact CZ-CE1 3.7Å; F516-F538 AromaticContact CZ-CZ 3.88Å; F516-F538 HydrophobicContact CZ-CZ 3.88Å; M528-F538 HydrophobicContact CB-CB 4.47Å; M528-F538 HydrophobicContact CB-CD1 3.59Å; M528-F538 HydrophobicContact CB-CD2 4.09Å; M528-F538 HydrophobicContact CB-CE1 3.75Å; M528-F538 HydrophobicContact CB-CE2 4.21Å; M528-F538 HydrophobicContact CB-CG 3.78Å; M528-F538 HydrophobicContact CB-CZ 4.05Å; M528-F538 HydrophobicContact CG-CD1 3.53Å; M528-F538 HydrophobicContact CG-CE1 3.79Å; M528-F538 HydrophobicContact CG-CG 4.14Å; M528-F538 HydrophobicContact SD-CB 4Å; M528-F538 HydrophobicContact SD-CD1 3.63Å; M528-F538 HydrophobicContact SD-CE1 4.45Å; M528-F538 HydrophobicContact SD-CG 4.05Å; I529-F538 WeakPolarHBondContact O-CE2 3.37Å; G534-F538 WeakPolarHBondContact O-CD2 3.47Å; G534-F538 WeakPolarHBondContact O-CE2 3.02Å; I535-F538 WeakPolarHBondContact O-CA 3.42Å; I535-F538 WeakPolarHBondContact O-CB 3.31Å; I535-F538 PolarHBondContact O-N 2.83Å; A536-F538 PolarHBondContact O-N 2.96Å; A536-F538 VanDerWaalsContact O-N 3.16Å; F538-G540 VanDerWaalsContact C-N 3.29Å; F538-G540 PolarHBondContact O-N 3.4Å; F538-F541 AromaticContact CD1-CD2 3.9Å; F538-F541 HydrophobicContact CD1-CD2 3.9Å; F538-F541 HydrophobicContact CD1-CE2 4.39Å; F538-F541 HydrophobicContact CD1-CG 4.45Å; F538-F541 HydrophobicContact CE1-CD2 4.27Å; F538-F541 HydrophobicContact CE1-CE2 4.35Å; F538-F541 PolarHBondContact O-N 3.34Å; F538-V542 WeakPolarHBondContact O-CB 3.5Å; F538-V542 VanDerWaalsContact O-CG2 3.26Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 2.98Å; F538-M560 HydrophobicContact CB-CE 4.38Å; F538-M560 HydrophobicContact CB-SD 4.21Å; F538-M560 HydrophobicContact CD2-CE 3.99Å; F538-M560 HydrophobicContact CD2-SD 4.19Å; F538-M560 HydrophobicContact CG-SD 4.35Å; F538-Y626 VanDerWaalsContact CE1-CB 3.41Å; F538-Y626 HydrophobicContact CE1-CG 4.25Å; F538-C628 HydrophobicContact CE2-CB 3.64Å; F538-C628 HydrophobicContact CZ-CB 3.73Å
539	M	98.7	Very high	98	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.049	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-42.1	168.6	-64.3	-51.7	-60.9	0	0	110.9	A460 I535 A536 P537 Q543 Y573 E576 L577	A460-M539 HydrophobicContact CB-CB 4.44Å; A460-M539 WeakPolarHBondContact O-CB 3.4Å; I535-M539 HydrophobicContact CD1-SD 4Å; I535-M539 HydrophobicContact CG1-CG 4.24Å; I535-M539 HydrophobicContact CG1-SD 4.01Å; I535-M539 PolarHBondContact O-N 2.83Å; I535-M539 VanDerWaalsContact O-N 3.15Å; A536-M539 PolarHBondContact O-N 3Å; P537-M539 VanDerWaalsContact C-N 3.33Å; P537-M539 PolarHBondContact O-N 2.71Å; M539-Q543 WeakPolarHBondContact O-CB 3.46Å; M539-Q543 WeakPolarHBondContact O-CG 3.36Å; M539-Q543 PolarHBondContact O-N 2.91Å; M539-Y573 HydrophobicContact CE-CD1 3.98Å; M539-Y573 HydrophobicContact CE-CD2 4.39Å; M539-Y573 HydrophobicContact CE-CG 3.82Å; M539-Y573 HydrophobicContact CG-CD2 3.88Å; M539-Y573 HydrophobicContact CG-CE2 3.95Å; M539-Y573 HydrophobicContact CG-CG 4.25Å; M539-Y573 HydrophobicContact SD-CD2 3.88Å; M539-Y573 HydrophobicContact SD-CG 3.87Å; M539-E576 HydrophobicContact CE-CB 3.94Å; M539-L577 HydrophobicContact SD-CD2 4.07Å; M539-L577 HydrophobicContact SD-CG 4.48Å
540	G	98.5	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-44.4	172.2	0	0	0	0	0	112.5	S461 S462 P537 F538 V542 Q543 E544	S461-G540 VanDerWaalsContact C-CA 3.5Å; S462-G540 WeakPolarHBondContact CB-O 3.19Å; P537-G540 PolarHBondContact O-N 2.9Å; P537-G540 VanDerWaalsContact O-N 3.15Å; F538-G540 VanDerWaalsContact C-N 3.29Å; F538-G540 PolarHBondContact O-N 3.4Å; G540-V542 PolarHBondContact O-N 2.96Å; G540-Q543 WeakPolarHBondContact O-CB 3.48Å; G540-Q543 PolarHBondContact O-N 2.85Å; G540-E544 WeakPolarHBondContact O-CB 3.32Å; G540-E544 PolarHBondContact O-N 3.41Å
541	F	98.8	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-42.7	178.5	-75.3	11.4	0	0	0	112.6	F516 L518 M528 P537 F538 E544 R545 Y626	F516-F541 HydrophobicContact CD1-CE1 4.39Å; F516-F541 HydrophobicContact CD1-CE2 4.2Å; F516-F541 AromaticContact CD1-CZ 3.63Å; F516-F541 HydrophobicContact CD1-CZ 3.63Å; F516-F541 AromaticContact CE1-CE2 3.88Å; F516-F541 HydrophobicContact CE1-CE2 3.88Å; F516-F541 AromaticContact CE1-CZ 3.77Å; F516-F541 HydrophobicContact CE1-CZ 3.77Å; L518-F541 HydrophobicContact CD1-CB 4.29Å; L518-F541 HydrophobicContact CD1-CD1 4.21Å; L518-F541 HydrophobicContact CD1-CG 4.23Å; L518-F541 HydrophobicContact CD2-CB 3.99Å; L518-F541 HydrophobicContact CD2-CD1 4.23Å; L518-F541 HydrophobicContact CD2-CD2 3.52Å; L518-F541 HydrophobicContact CD2-CE2 3.98Å; L518-F541 HydrophobicContact CD2-CG 3.66Å; L518-F541 HydrophobicContact CG-CB 4.24Å; L518-F541 HydrophobicContact CG-CD1 3.76Å; L518-F541 HydrophobicContact CG-CD2 3.95Å; L518-F541 HydrophobicContact CG-CE1 4.02Å; L518-F541 HydrophobicContact CG-CE2 4.19Å; L518-F541 HydrophobicContact CG-CG 3.72Å; L518-F541 HydrophobicContact CG-CZ 4.23Å; M528-F541 HydrophobicContact CG-CD2 4.44Å; M528-F541 HydrophobicContact SD-CB 3.76Å; M528-F541 HydrophobicContact SD-CD2 3.97Å; M528-F541 HydrophobicContact SD-CG 4.38Å; P537-F541 PolarHBondContact O-N 3.21Å; F538-F541 AromaticContact CD1-CD2 3.9Å; F538-F541 HydrophobicContact CD1-CD2 3.9Å; F538-F541 HydrophobicContact CD1-CE2 4.39Å; F538-F541 HydrophobicContact CD1-CG 4.45Å; F538-F541 HydrophobicContact CE1-CD2 4.27Å; F538-F541 HydrophobicContact CE1-CE2 4.35Å; F538-F541 PolarHBondContact O-N 3.34Å; F541-E544 PolarHBondContact O-N 3.47Å; F541-R545 WeakPolarHBondContact O-CB 3.47Å; F541-R545 WeakPolarHBondContact O-CG 3.46Å; F541-R545 PolarHBondContact O-N 3.45Å; F541-Y626 AromaticContact CE2-CD1 3.73Å; F541-Y626 HydrophobicContact CE2-CD1 3.73Å; F541-Y626 HydrophobicContact CE2-CD2 4.1Å; F541-Y626 AromaticContact CE2-CE1 3.79Å; F541-Y626 HydrophobicContact CE2-CE1 3.79Å; F541-Y626 HydrophobicContact CE2-CE2 4.15Å; F541-Y626 AromaticContact CE2-CG 3.9Å; F541-Y626 HydrophobicContact CE2-CG 3.9Å; F541-Y626 HydrophobicContact CZ-CD1 4.34Å; F541-Y626 HydrophobicContact CZ-CE1 4.22Å
542	V	98.8	Very high	97.9	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-44.8	177	171.3	0	0	0	0	110.7	M528 F538 G540 E544 R545 G546 A580 V585 L586	M528-V542 HydrophobicContact CE-CG2 3.84Å; F538-V542 WeakPolarHBondContact O-CB 3.5Å; F538-V542 VanDerWaalsContact O-CG2 3.26Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 2.98Å; G540-V542 PolarHBondContact O-N 2.96Å; V542-E544 VanDerWaalsContact C-N 3.33Å; V542-E544 PolarHBondContact O-N 2.88Å; V542-R545 PolarHBondContact O-N 3.46Å; V542-G546 PolarHBondContact O-N 3.19Å; V542-A580 HydrophobicContact CG1-CB 3.65Å; V542-V585 HydrophobicContact CG1-CG1 4.06Å; V542-V585 WeakPolarHBondContact O-CG1 3.34Å; V542-L586 HydrophobicContact CG1-CG 4.32Å; V542-L586 HydrophobicContact CG2-CD1 4.45Å; V542-L586 HydrophobicContact CG2-CD2 3.61Å; V542-L586 HydrophobicContact CG2-CG 4.12Å
543	Q	98.8	Very high	97.9	Very high	47 Å²	47	36.1 Å²	36.1	22%	0.22	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-46.1	174.3	-74.6	170.6	2.7	0	0	111.7	S461 V465 H466 M539 G540 G546 W547	S461-Q543 VanDerWaalsContact CA-OE1 3.24Å; V465-Q543 HydrophobicContact CG2-CB 4.09Å; H466-Q543 PolarHBondContact CD2-OE1 3.14Å; M539-Q543 WeakPolarHBondContact O-CB 3.46Å; M539-Q543 WeakPolarHBondContact O-CG 3.36Å; M539-Q543 PolarHBondContact O-N 2.91Å; G540-Q543 WeakPolarHBondContact O-CB 3.48Å; G540-Q543 PolarHBondContact O-N 2.85Å; Q543-G546 PolarHBondContact O-N 3.34Å; Q543-W547 WeakPolarHBondContact O-CB 3.16Å; Q543-W547 PolarHBondContact O-N 2.9Å
544	E	98.6	Very high	98	Very high	32 Å²	32	42.6 Å²	42.6	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-41.7	-178.8	-164.5	159.3	148.3	0	0	112.4	S317 S462 K464 L518 G540 F541 V542 G546 W547 L548	S317-E544 PolarHBondContact OG-OE2 2.82Å; S462-E544 WeakPolarHBondContact OG-CB 3.29Å; S462-E544 PolarHBondContact OG-OE2 2.94Å; K464-E544 HydrophobicContact CB-CG 4.48Å; K464-E544 HydrophobicContact CG-CG 3.99Å; L518-E544 HydrophobicContact CD1-CB 3.88Å; L518-E544 HydrophobicContact CD1-CG 4.07Å; G540-E544 WeakPolarHBondContact O-CB 3.32Å; G540-E544 PolarHBondContact O-N 3.41Å; F541-E544 PolarHBondContact O-N 3.47Å; V542-E544 VanDerWaalsContact C-N 3.33Å; V542-E544 PolarHBondContact O-N 2.88Å; E544-G546 VanDerWaalsContact C-N 3.31Å; E544-G546 PolarHBondContact O-N 2.89Å; E544-W547 WeakPolarHBondContact O-CB 3.49Å; E544-W547 PolarHBondContact O-N 2.66Å; E544-L548 VanDerWaalsContact O-CG 3.29Å; E544-L548 WeakPolarHBondContact O-CG 3.35Å; E544-L548 PolarHBondContact O-N 2.85Å
545	R	98.6	Very high	98	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-41.6	173.3	-74.2	-80.3	177.8	166.8	-10.9	111.4	L518 A522 N524 F541 V542 L548 K549 V555 T558 V585	L518-R545 HydrophobicContact CD1-CG 4.31Å; L518-R545 HydrophobicContact CD2-CG 4.48Å; A522-R545 PolarHBondContact O-NH1 2.98Å; N524-R545 PolarHBondContact O-NH1 3.37Å; N524-R545 VanDerWaalsContact O-NH1 3.09Å; N524-R545 PolarHBondContact O-NH2 2.92Å; F541-R545 WeakPolarHBondContact O-CB 3.47Å; F541-R545 WeakPolarHBondContact O-CG 3.46Å; F541-R545 PolarHBondContact O-N 3.45Å; V542-R545 PolarHBondContact O-N 3.46Å; R545-L548 PolarHBondContact O-N 3.47Å; R545-K549 PolarHBondContact O-N 3.36Å; R545-K549 VanDerWaalsContact O-N 3.13Å; R545-V555 HydrophobicContact CB-CG1 4.4Å; R545-V555 VanDerWaalsContact CD-CG1 3.4Å; R545-T558 HydrophobicContact CG-CG2 4.24Å; R545-V585 HydrophobicContact CB-CG1 4.19Å
546	G	98.4	Very high	98	Very high	7 Å²	7	44.1 Å²	44.1	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-45.3	174.1	0	0	0	0	0	112.2	V542 Q543 E544 L548 K549 Q550	V542-G546 PolarHBondContact O-N 3.19Å; Q543-G546 PolarHBondContact O-N 3.34Å; E544-G546 VanDerWaalsContact C-N 3.31Å; E544-G546 PolarHBondContact O-N 2.89Å; G546-L548 PolarHBondContact O-N 2.95Å; G546-K549 PolarHBondContact O-N 2.87Å; G546-Q550 WeakPolarHBondContact O-CG 3.46Å; G546-Q550 PolarHBondContact O-N 2.95Å
547	W	98.5	Very high	98	Very high	71 Å²	71	46.9 Å²	46.9	27%	0.269	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-45.3	174.5	176.6	84.1	0	0	0	111.9	K464 V465 Q543 E544 K549 Q550 Q551	K464-W547 HydrophobicContact CB-CD2 3.85Å; K464-W547 HydrophobicContact CB-CE3 3.95Å; K464-W547 HydrophobicContact CB-CG 4.2Å; K464-W547 HydrophobicContact CB-CZ3 4.39Å; K464-W547 HydrophobicContact CD-CH2 4.43Å; K464-W547 HydrophobicContact CD-CZ3 4.37Å; K464-W547 HydrophobicContact CG-CD2 4.49Å; K464-W547 HydrophobicContact CG-CE3 4.1Å; K464-W547 HydrophobicContact CG-CZ3 4.17Å; V465-W547 HydrophobicContact CG2-CB 3.9Å; V465-W547 HydrophobicContact CG2-CG 4.4Å; Q543-W547 WeakPolarHBondContact O-CB 3.16Å; Q543-W547 PolarHBondContact O-N 2.9Å; E544-W547 WeakPolarHBondContact O-CB 3.49Å; E544-W547 PolarHBondContact O-N 2.66Å; W547-K549 VanDerWaalsContact C-N 3.31Å; W547-K549 PolarHBondContact O-N 3.43Å; W547-Q550 WeakPolarHBondContact O-CB 3.49Å; W547-Q550 PolarHBondContact O-N 2.99Å; W547-Q550 VanDerWaalsContact O-N 3.13Å; W547-Q551 HydrophobicContact CD2-CG 4.06Å; W547-Q551 HydrophobicContact CE3-CG 4.43Å; W547-Q551 HydrophobicContact CH2-CG 4.18Å; W547-Q551 HydrophobicContact CZ2-CG 3.79Å; W547-Q551 HydrophobicContact CZ3-CG 4.5Å; W547-Q551 WeakPolarHBondContact O-CG 3.28Å; W547-Q551 PolarHBondContact O-N 2.84Å
548	L	98.2	Very high	98	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-40.5	177	-69	167.4	0	0	0	112.1	A522 E544 R545 G546 Q551 K553 V555	A522-L548 HydrophobicContact CB-CD1 4.07Å; E544-L548 VanDerWaalsContact O-CG 3.29Å; E544-L548 WeakPolarHBondContact O-CG 3.35Å; E544-L548 PolarHBondContact O-N 2.85Å; R545-L548 PolarHBondContact O-N 3.47Å; G546-L548 PolarHBondContact O-N 2.95Å; L548-Q551 PolarHBondContact O-N 3.46Å; L548-K553 HydrophobicContact CD2-CD 3.62Å; L548-K553 WeakPolarHBondContact O-CB 3.16Å; L548-K553 PolarHBondContact O-N 3.23Å; L548-K553 VanDerWaalsContact O-N 3.12Å; L548-V555 HydrophobicContact CB-CG2 3.64Å
549	K	97	Very high	98	Very high	71 Å²	71	46.9 Å²	46.9	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-43.6	174.2	-76.6	-165	168.7	-169.5	0	112.2	R545 G546 W547 Q551 G552 V555 S584	R545-K549 PolarHBondContact O-N 3.36Å; R545-K549 VanDerWaalsContact O-N 3.13Å; G546-K549 PolarHBondContact O-N 2.87Å; W547-K549 VanDerWaalsContact C-N 3.31Å; W547-K549 PolarHBondContact O-N 3.43Å; K549-Q551 PolarHBondContact O-N 3.45Å; K549-G552 WeakPolarHBondContact O-CA 3.48Å; K549-G552 PolarHBondContact O-N 3.05Å; K549-V555 HydrophobicContact CB-CG2 4.42Å; K549-V555 HydrophobicContact CD-CB 4.42Å; K549-V555 HydrophobicContact CG-CB 3.71Å; K549-V555 HydrophobicContact CG-CG1 4.37Å; K549-V555 HydrophobicContact CG-CG2 3.53Å; K549-S584 PolarHBondContact NZ-O 3.46Å
550	Q	97	Very high	98	Very high	160 Å²	160	46.4 Å²	46.4	75%	0.748	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-30.5	176.8	-69	172	4.9	0	0	112.4	G546 W547 G552	G546-Q550 WeakPolarHBondContact O-CG 3.46Å; G546-Q550 PolarHBondContact O-N 2.95Å; W547-Q550 WeakPolarHBondContact O-CB 3.49Å; W547-Q550 PolarHBondContact O-N 2.99Å; W547-Q550 VanDerWaalsContact O-N 3.13Å; Q550-G552 PolarHBondContact O-N 2.57Å
551	Q	97.3	Very high	98	Very high	113 Å²	113	46.5 Å²	46.5	53%	0.528	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	5.7	172	-60.8	-53.8	-44.4	0	0	113.7	W547 L548 K549 K553	W547-Q551 HydrophobicContact CD2-CG 4.06Å; W547-Q551 HydrophobicContact CE3-CG 4.43Å; W547-Q551 HydrophobicContact CH2-CG 4.18Å; W547-Q551 HydrophobicContact CZ2-CG 3.79Å; W547-Q551 HydrophobicContact CZ3-CG 4.5Å; W547-Q551 WeakPolarHBondContact O-CG 3.28Å; W547-Q551 PolarHBondContact O-N 2.84Å; L548-Q551 PolarHBondContact O-N 3.46Å; K549-Q551 PolarHBondContact O-N 3.45Å; Q551-K553 VanDerWaalsContact C-N 3.3Å; Q551-K553 PolarHBondContact O-N 2.84Å
552	G	96.6	Very high	98	Very high	70 Å²	70	46.5 Å²	46.5	72%	0.722	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	15.4	178.8	0	0	0	0	0	114.5	K549 Q550	K549-G552 WeakPolarHBondContact O-CA 3.48Å; K549-G552 PolarHBondContact O-N 3.05Å; Q550-G552 PolarHBondContact O-N 2.57Å
553	K	97	Very high	97.9	Very high	115 Å²	115	46.4 Å²	46.4	50%	0.5	24%	0.239	S	C	.	.			trans	-78.2	146.8	175.3	-64.9	-175	177.2	-175.9	0	110.8	L548 Q551 V555	L548-K553 HydrophobicContact CD2-CD 3.62Å; L548-K553 WeakPolarHBondContact O-CB 3.16Å; L548-K553 PolarHBondContact O-N 3.23Å; L548-K553 VanDerWaalsContact O-N 3.12Å; Q551-K553 VanDerWaalsContact C-N 3.3Å; Q551-K553 PolarHBondContact O-N 2.84Å; K553-V555 PolarHBondContact O-N 3.01Å
554	E	96.8	Very high	97.8	Very high	164 Å²	164	44.7 Å²	44.7	77%	0.766	23%	0.232	S	C	*	.			trans	-70.8	112.1	168	-171.7	-179	-176.3	0	0	109.3	A522 S523	A522-E554 CarbonylContact C-O 3.57Å; S523-E554 PolarHBondContact N-O 2.71Å
555	V	98	Very high	97.6	Very high	19 Å²	19	46 Å²	46	12%	0.115	24%	0.236	C	C	.	.			trans	-109.3	121.1	-179	-178.5	0	0	0	0	108.8	A522 R545 L548 K549 K553	A522-V555 HydrophobicContact CB-CG2 4.43Å; A522-V555 WeakPolarHBondContact O-CA 3.17Å; R545-V555 HydrophobicContact CB-CG1 4.4Å; R545-V555 VanDerWaalsContact CD-CG1 3.4Å; L548-V555 HydrophobicContact CB-CG2 3.64Å; K549-V555 HydrophobicContact CB-CG2 4.42Å; K549-V555 HydrophobicContact CD-CB 4.42Å; K549-V555 HydrophobicContact CG-CB 3.71Å; K549-V555 HydrophobicContact CG-CG1 4.37Å; K549-V555 HydrophobicContact CG-CG2 3.53Å; K553-V555 PolarHBondContact O-N 3.01Å
556	G	97.7	Very high	97.5	Very high	13 Å²	13	48 Å²	48	13%	0.134	25%	0.245	C	C	.	.			trans	-65.4	173.2	177.7	0	0	0	0	0	112.9	A522 S523 T558	A522-G556 PolarHBondContact O-N 3.29Å; S523-G556 VanDerWaalsContact O-CA 3.29Å; S523-G556 WeakPolarHBondContact O-CA 3.37Å; G556-T558 PolarHBondContact O-N 2.8Å; G556-T558 PolarHBondContact O-OG1 3.31Å
557	E	98.4	Very high	97.4	Very high	60 Å²	60	52 Å²	52	28%	0.28	26%	0.261	S	S	.	.			trans	-54.4	139.2	-178.9	-64.7	-165.2	-133.4	0	0	112.1	P525 V526 T587 H613 L617	P525-E557 CarbonylContact C-O 3.6Å; P525-E557 WeakPolarHBondContact CA-O 3.44Å; P525-E557 HydrophobicContact CB-CB 4.15Å; V526-E557 PolarHBondContact N-O 3.15Å; E557-T587 HydrophobicContact CB-CG2 4.31Å; E557-T587 HydrophobicContact CG-CG2 4.35Å; E557-H613 IonicContact OE1-CE1 2.86Å; E557-H613 IonicContact OE2-CE1 3.35Å; E557-H613 PolarHBondContact OE2-CE1 3.03Å; E557-H613 VanDerWaalsContact OE2-CE1 3.28Å; E557-H613 IonicContact OE2-NE2 2.81Å; E557-H613 PolarHBondContact OE2-NE2 3.09Å; E557-L617 HydrophobicContact CB-CD2 4.32Å
558	T	98.6	Very high	97.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	96.9	-177	-57.6	0	0	0	0	107.4	V526 M528 R545 G556 V585 L586 T587	V526-T558 HydrophobicContact CG2-CG2 3.68Å; M528-T558 HydrophobicContact CE-CG2 3.62Å; R545-T558 HydrophobicContact CG-CG2 4.24Å; G556-T558 PolarHBondContact O-N 2.8Å; G556-T558 PolarHBondContact O-OG1 3.31Å; T558-V585 VanDerWaalsContact CB-O 3.28Å; T558-V585 WeakPolarHBondContact CB-O 3.36Å; T558-L586 HydrophobicContact CG2-CD2 3.83Å; T558-L586 CarbonylContact O-C 3.56Å; T558-L586 WeakPolarHBondContact O-CA 3.41Å; T558-T587 PolarHBondContact N-OG1 3.33Å; T558-T587 PolarHBondContact O-N 3.41Å; T558-T587 PolarHBondContact O-OG1 2.91Å
559	V	98.6	Very high	97.1	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.7	-171.5	-179.5	0	0	0	0	109.6	V526 M528 Y561 Q588 L617	V526-V559 PolarHBondContact O-N 3.04Å; M528-V559 PolarHBondContact N-O 3.2Å; V559-Y561 HydrophobicContact CG1-CD2 4.02Å; V559-Y561 HydrophobicContact CG1-CE2 3.37Å; V559-Q588 HydrophobicContact CG1-CB 4.12Å; V559-Q588 HydrophobicContact CG2-CB 4.38Å; V559-L617 HydrophobicContact CG2-CD1 4.03Å
560	M	98.4	Very high	96.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	177.8	-177.1	61.8	-173.4	0	0	111	M528 I535 F538 F562 L586 Q588 L589 N590	M528-M560 HydrophobicContact CB-SD 3.7Å; M528-M560 HydrophobicContact CE-CB 4.28Å; M528-M560 HydrophobicContact CE-SD 4.23Å; M528-M560 CarbonylContact O-C 3.54Å; I535-M560 HydrophobicContact CB-CE 4.41Å; I535-M560 HydrophobicContact CD1-CE 3.99Å; I535-M560 HydrophobicContact CG1-CE 3.76Å; F538-M560 HydrophobicContact CB-CE 4.38Å; F538-M560 HydrophobicContact CB-SD 4.21Å; F538-M560 HydrophobicContact CD2-CE 3.99Å; F538-M560 HydrophobicContact CD2-SD 4.19Å; F538-M560 HydrophobicContact CG-SD 4.35Å; M560-F562 HydrophobicContact CE-CB 3.85Å; M560-F562 HydrophobicContact CE-CD2 4.17Å; M560-F562 HydrophobicContact CE-CG 4.45Å; M560-F562 HydrophobicContact CG-CB 4.41Å; M560-L586 HydrophobicContact CB-CD1 4.37Å; M560-L586 HydrophobicContact CB-CD2 3.89Å; M560-Q588 PolarHBondContact N-O 3.43Å; M560-L589 HydrophobicContact CB-CD1 4.07Å; M560-L589 HydrophobicContact CG-CD1 3.98Å; M560-N590 WeakPolarHBondContact O-CB 3.48Å; M560-N590 PolarHBondContact O-N 3.25Å
561	Y	98.6	Very high	96.9	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	100.3	167	-69	-91	0	0	0	108.6	I527 M528 I529 G530 V559 N590 H606 L607 N610 I614	I527-Y561 HydrophobicContact CG2-CD2 4.06Å; I527-Y561 HydrophobicContact CG2-CE2 3.94Å; M528-Y561 PolarHBondContact O-N 3.45Å; I529-Y561 HydrophobicContact CG1-CD2 4.26Å; I529-Y561 HydrophobicContact CG1-CG 4.5Å; G530-Y561 PolarHBondContact N-O 2.86Å; V559-Y561 HydrophobicContact CG1-CD2 4.02Å; V559-Y561 HydrophobicContact CG1-CE2 3.37Å; Y561-N590 CarbonylContact C-O 3.59Å; Y561-N590 WeakPolarHBondContact CA-O 3.37Å; Y561-N590 HydrophobicContact CD1-CB 3.5Å; Y561-N590 HydrophobicContact CE1-CB 3.63Å; Y561-N590 HydrophobicContact CG-CB 4.18Å; Y561-H606 HydrophobicContact CD1-CB 3.76Å; Y561-H606 HydrophobicContact CE1-CB 3.81Å; Y561-L607 HydrophobicContact CD1-CD2 3.94Å; Y561-L607 HydrophobicContact CD1-CG 4.31Å; Y561-L607 HydrophobicContact CD2-CD2 3.68Å; Y561-L607 HydrophobicContact CE1-CD2 3.89Å; Y561-L607 HydrophobicContact CE1-CG 4.43Å; Y561-L607 HydrophobicContact CE2-CD2 3.61Å; Y561-L607 HydrophobicContact CG-CD2 3.85Å; Y561-L607 HydrophobicContact CG-CG 4.5Å; Y561-N610 WeakPolarHBondContact OH-CB 3.27Å; Y561-N610 PolarHBondContact OH-ND2 3.03Å; Y561-I614 HydrophobicContact CE2-CD1 4.47Å
562	F	98.4	Very high	97	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.4	177.2	-178.4	-115.8	0	0	0	110.6	G530 I535 M560 C564 Y571 I572 N590 V591 A592	G530-F562 VanDerWaalsContact O-CD2 3.22Å; G530-F562 WeakPolarHBondContact O-CD2 3.09Å; I535-F562 HydrophobicContact CB-CD2 4.07Å; I535-F562 HydrophobicContact CB-CE2 3.99Å; I535-F562 HydrophobicContact CD1-CD2 3.7Å; I535-F562 HydrophobicContact CD1-CE2 3.95Å; I535-F562 HydrophobicContact CD1-CG 4.24Å; I535-F562 HydrophobicContact CG1-CD2 4.29Å; I535-F562 HydrophobicContact CG2-CE2 4.33Å; M560-F562 HydrophobicContact CE-CB 3.85Å; M560-F562 HydrophobicContact CE-CD2 4.17Å; M560-F562 HydrophobicContact CE-CG 4.45Å; M560-F562 HydrophobicContact CG-CB 4.41Å; F562-C564 HydrophobicContact CE1-CB 3.82Å; F562-C564 HydrophobicContact CZ-CB 3.97Å; F562-Y571 AromaticContact CD1-CD2 3.79Å; F562-Y571 HydrophobicContact CD1-CD2 3.79Å; F562-Y571 AromaticContact CD1-CE2 3.76Å; F562-Y571 HydrophobicContact CD1-CE2 3.76Å; F562-Y571 AromaticContact CE1-CD2 3.54Å; F562-Y571 HydrophobicContact CE1-CD2 3.54Å; F562-Y571 HydrophobicContact CE1-CE2 4Å; F562-Y571 HydrophobicContact CE1-CG 4.49Å; F562-I572 HydrophobicContact CE2-CG1 4.24Å; F562-I572 HydrophobicContact CZ-CG1 3.79Å; F562-N590 PolarHBondContact N-O 3.38Å; F562-V591 HydrophobicContact CB-CG2 4.5Å; F562-V591 HydrophobicContact CD1-CG1 3.81Å; F562-V591 CarbonylContact O-C 3.58Å; F562-V591 WeakPolarHBondContact O-CA 3.42Å; F562-A592 PolarHBondContact O-N 3.41Å
563	G	97.3	Very high	97	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138	176.4	0	0	0	0	0	112.1	P531 G532 A592	P531-G563 CarbonylContact C-O 3.47Å; P531-G563 WeakPolarHBondContact CA-O 3.39Å; G532-G563 PolarHBondContact N-O 3.16Å; G563-A592 VanDerWaalsContact CA-O 3.27Å; G563-A592 WeakPolarHBondContact CA-O 2.98Å
564	C	96.5	Very high	97.1	Very high	11 Å²	11	34 Å²	34	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-178	176.4	61	0	0	0	0	110.7	F562 D570 A592 F593 S594	F562-C564 HydrophobicContact CE1-CB 3.82Å; F562-C564 HydrophobicContact CZ-CB 3.97Å; C564-D570 WeakPolarHBondContact CB-O 3.33Å; C564-D570 WeakPolarHBondContact CB-OD1 3.34Å; C564-A592 PolarHBondContact N-O 2.82Å; C564-F593 WeakPolarHBondContact SG-CD1 3.23Å; C564-F593 VanDerWaalsContact SG-CE1 3.58Å; C564-S594 PolarHBondContact O-N 2.87Å; C564-S594 PolarHBondContact O-OG 3.45Å
565	R	94.8	Very high	97.1	Very high	60 Å²	60	31.1 Å²	31.1	23%	0.226	15%	0.153	C	C	.	.	S	Bend	trans	-76.2	-56.2	-180	-67.1	178.6	176.3	-178.6	0.3	109.9	D298 D570 S594 R595	D298-R565 IonicContact OD1-NH1 2.69Å; R565-D570 WeakPolarHBondContact CA-OD1 3.38Å; R565-D570 VanDerWaalsContact CB-OD2 3.25Å; R565-D570 WeakPolarHBondContact CB-OD2 3.44Å; R565-D570 VanDerWaalsContact CG-OD2 3.32Å; R565-D570 WeakPolarHBondContact CG-OD2 3.28Å; R565-D570 PolarHBondContact N-OD1 2.98Å; R565-D570 PolarHBondContact N-OD2 3.29Å; R565-S594 WeakPolarHBondContact CA-OG 3.35Å; R565-S594 PolarHBondContact O-N 2.87Å; R565-R595 HydrophobicContact CB-CG 4.05Å; R565-R595 HydrophobicContact CG-CG 4.41Å; R565-R595 WeakPolarHBondContact O-CA 3.35Å; R565-R595 WeakPolarHBondContact O-CB 3.15Å; R565-R595 PolarHBondContact O-N 3Å
566	H	95.9	Very high	97.1	Very high	43 Å²	43	33.2 Å²	33.2	20%	0.199	16%	0.162	C	C	.	.			trans	-140.1	139.6	-171.5	-66.4	-76.7	0	0	0	110.5	N568 E569 D570 R595 D596	H566-N568 PolarHBondContact O-N 3.25Å; H566-E569 HydrophobicContact CB-CB 3.94Å; H566-E569 HydrophobicContact CB-CG 3.7Å; H566-E569 VanDerWaalsContact CD2-CD 3.43Å; H566-E569 IonicContact CD2-OE1 2.98Å; H566-E569 IonicContact CD2-OE2 3.84Å; H566-E569 PolarHBondContact CD2-OE2 3.29Å; H566-E569 VanDerWaalsContact CD2-OE2 3.24Å; H566-E569 PolarHBondContact O-N 3.34Å; H566-D570 PolarHBondContact N-OD1 3.39Å; H566-D570 PolarHBondContact O-N 2.97Å; H566-R595 WeakPolarHBondContact CE1-CB 3.28Å; H566-R595 PolarHBondContact CE1-O 3.28Å; H566-R595 PolarHBondContact ND1-O 3.09Å; H566-R595 VanDerWaalsContact NE2-CB 3.27Å; H566-R595 WeakPolarHBondContact NE2-CB 3.3Å; H566-D596 VanDerWaalsContact CA-OD1 3.32Å; H566-D596 WeakPolarHBondContact CA-OD1 3.38Å; H566-D596 WeakPolarHBondContact CB-OD1 3.44Å; H566-D596 IonicContact CE1-OD1 3.86Å; H566-D596 IonicContact CG-OD1 2.75Å; H566-D596 IonicContact ND1-OD1 3.13Å; H566-D596 PolarHBondContact ND1-OD1 2.74Å
567	K	96.1	Very high	97.1	Very high	91 Å²	91	32.7 Å²	32.7	40%	0.396	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.5	178.4	-175.3	172.9	-179	173.6	0	113	Y571 F593 D596	K567-Y571 HydrophobicContact CG-CD1 4.21Å; K567-Y571 WeakPolarHBondContact O-CB 3.2Å; K567-F593 HydrophobicContact CB-CD1 3.79Å; K567-F593 HydrophobicContact CB-CD2 4.33Å; K567-F593 HydrophobicContact CB-CE1 3.52Å; K567-F593 HydrophobicContact CB-CE2 4.09Å; K567-F593 HydrophobicContact CB-CG 4.2Å; K567-F593 HydrophobicContact CB-CZ 3.68Å; K567-F593 HydrophobicContact CD-CE2 4.09Å; K567-F593 HydrophobicContact CD-CZ 3.93Å; K567-F593 HydrophobicContact CG-CE1 3.87Å; K567-F593 HydrophobicContact CG-CE2 4.21Å; K567-F593 HydrophobicContact CG-CZ 3.64Å; K567-D596 WeakPolarHBondContact CB-OD2 3.34Å; K567-D596 PolarHBondContact N-OD2 3.11Å
568	N	94.9	Very high	97.1	Very high	128 Å²	128	33.6 Å²	33.6	68%	0.684	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	1.6	-174.3	-62.7	-29	0	0	0	113.9	H566	H566-N568 PolarHBondContact O-N 3.25Å
569	E	94.6	Very high	97.1	Very high	61 Å²	61	39.3 Å²	39.3	29%	0.285	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-60.9	-178.9	-57.3	-172.8	173.3	0	0	112.4	N294 K295 A296 H566	N294-E569 CarbonylContact C-O 3.57Å; N294-E569 WeakPolarHBondContact CA-O 3.5Å; N294-E569 WeakPolarHBondContact CB-O 3.19Å; K295-E569 PolarHBondContact N-O 3.41Å; A296-E569 HydrophobicContact CB-CB 4.36Å; A296-E569 HydrophobicContact CB-CG 4.13Å; A296-E569 PolarHBondContact N-O 2.97Å; H566-E569 HydrophobicContact CB-CB 3.94Å; H566-E569 HydrophobicContact CB-CG 3.7Å; H566-E569 VanDerWaalsContact CD2-CD 3.43Å; H566-E569 IonicContact CD2-OE1 2.98Å; H566-E569 IonicContact CD2-OE2 3.84Å; H566-E569 PolarHBondContact CD2-OE2 3.29Å; H566-E569 VanDerWaalsContact CD2-OE2 3.24Å; H566-E569 PolarHBondContact O-N 3.34Å
570	D	94.4	Very high	97.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	19%	0.191	C	C	.	.	S	Bend	trans	-131.1	25.2	-164.7	61.4	-4	0	0	0	113.7	N294 R299 C564 R565 H566 I572	N294-D570 HydrophobicContact CB-CB 4.36Å; R299-D570 IonicContact CZ-OD2 3.69Å; R299-D570 IonicContact NH2-OD2 2.77Å; R299-D570 PolarHBondContact NH2-OD2 3.17Å; C564-D570 WeakPolarHBondContact CB-O 3.33Å; C564-D570 WeakPolarHBondContact CB-OD1 3.34Å; R565-D570 WeakPolarHBondContact CA-OD1 3.38Å; R565-D570 VanDerWaalsContact CB-OD2 3.25Å; R565-D570 WeakPolarHBondContact CB-OD2 3.44Å; R565-D570 VanDerWaalsContact CG-OD2 3.32Å; R565-D570 WeakPolarHBondContact CG-OD2 3.28Å; R565-D570 PolarHBondContact N-OD1 2.98Å; R565-D570 PolarHBondContact N-OD2 3.29Å; H566-D570 PolarHBondContact N-OD1 3.39Å; H566-D570 PolarHBondContact O-N 2.97Å; D570-I572 PolarHBondContact O-N 2.76Å
571	Y	97.1	Very high	97.1	Very high	11 Å²	11	43.6 Å²	43.6	4%	0.043	21%	0.209	C	C	.	.			trans	-72.3	78.8	162.9	-167.7	-178.8	0	0	0	110.2	F562 K567 Q574 L577 L589 V591 F593	F562-Y571 AromaticContact CD1-CD2 3.79Å; F562-Y571 HydrophobicContact CD1-CD2 3.79Å; F562-Y571 AromaticContact CD1-CE2 3.76Å; F562-Y571 HydrophobicContact CD1-CE2 3.76Å; F562-Y571 AromaticContact CE1-CD2 3.54Å; F562-Y571 HydrophobicContact CE1-CD2 3.54Å; F562-Y571 HydrophobicContact CE1-CE2 4Å; F562-Y571 HydrophobicContact CE1-CG 4.49Å; K567-Y571 HydrophobicContact CG-CD1 4.21Å; K567-Y571 WeakPolarHBondContact O-CB 3.2Å; Y571-Q574 HydrophobicContact CD1-CB 4.05Å; Y571-Q574 HydrophobicContact CD1-CG 3.75Å; Y571-Q574 HydrophobicContact CD2-CB 4.18Å; Y571-Q574 HydrophobicContact CE1-CB 4.25Å; Y571-Q574 HydrophobicContact CE1-CG 3.69Å; Y571-Q574 HydrophobicContact CE2-CB 4.38Å; Y571-Q574 HydrophobicContact CG-CB 4.01Å; Y571-Q574 HydrophobicContact CG-CG 4.24Å; Y571-Q574 WeakPolarHBondContact O-CB 3.31Å; Y571-L577 HydrophobicContact CE2-CD1 3.81Å; Y571-L589 WeakPolarHBondContact OH-CD2 3.29Å; Y571-V591 HydrophobicContact CE1-CG2 4.43Å; Y571-V591 HydrophobicContact CE2-CG1 4.32Å; Y571-V591 HydrophobicContact CE2-CG2 4.18Å; Y571-V591 WeakPolarHBondContact OH-CG2 3.23Å; Y571-F593 AromaticContact CD1-CE1 3.92Å; Y571-F593 HydrophobicContact CD1-CE1 3.92Å; Y571-F593 AromaticContact CD1-CZ 3.94Å; Y571-F593 HydrophobicContact CD1-CZ 3.94Å; Y571-F593 HydrophobicContact CE1-CE1 4.46Å; Y571-F593 HydrophobicContact CE1-CZ 4.1Å; Y571-F593 HydrophobicContact CG-CE1 4.21Å
572	I	97.5	Very high	97	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	145.4	-179.2	61.4	176.2	0	0	0	111.6	L293 L301 I535 F562 D570 Q574	L293-I572 HydrophobicContact CB-CB 4.03Å; L293-I572 HydrophobicContact CB-CG2 3.6Å; L293-I572 HydrophobicContact CD1-CB 4.3Å; L293-I572 HydrophobicContact CD1-CG2 4.41Å; L301-I572 HydrophobicContact CB-CG2 4.22Å; L301-I572 HydrophobicContact CD2-CD1 4.13Å; L301-I572 HydrophobicContact CD2-CG2 3.86Å; I535-I572 HydrophobicContact CG2-CD1 3.56Å; I535-I572 HydrophobicContact CG2-CG1 4.11Å; F562-I572 HydrophobicContact CE2-CG1 4.24Å; F562-I572 HydrophobicContact CZ-CG1 3.79Å; D570-I572 PolarHBondContact O-N 2.76Å; I572-Q574 PolarHBondContact O-N 2.91Å
573	Y	98.1	Very high	97	Very high	8 Å²	8	56.3 Å²	56.3	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	30.1	-174.3	-54.4	-73.3	0	0	0	114.4	L293 H303 C473 I535 M539 E575 E576 L577	L293-Y573 HydrophobicContact CD1-CE1 4.37Å; L293-Y573 HydrophobicContact CD1-CE2 3.81Å; L293-Y573 HydrophobicContact CD2-CD1 3.94Å; L293-Y573 HydrophobicContact CD2-CE1 3.62Å; L293-Y573 HydrophobicContact CD2-CE2 4.32Å; L293-Y573 HydrophobicContact CD2-CG 4.41Å; H303-Y573 HydrophobicContact CB-CE1 4.45Å; H303-Y573 AromaticContact ND1-CE1 3.62Å; H303-Y573 AromaticContact ND1-CZ 3.64Å; H303-Y573 PolarHBondContact ND1-OH 3.45Å; C473-Y573 HydrophobicContact CB-CE2 4.21Å; C473-Y573 WeakPolarHBondContact CB-OH 3.29Å; I535-Y573 HydrophobicContact CD1-CD2 4.49Å; I535-Y573 HydrophobicContact CG2-CD2 4.08Å; I535-Y573 HydrophobicContact CG2-CE2 4.15Å; M539-Y573 HydrophobicContact CE-CD1 3.98Å; M539-Y573 HydrophobicContact CE-CD2 4.39Å; M539-Y573 HydrophobicContact CE-CG 3.82Å; M539-Y573 HydrophobicContact CG-CD2 3.88Å; M539-Y573 HydrophobicContact CG-CE2 3.95Å; M539-Y573 HydrophobicContact CG-CG 4.25Å; M539-Y573 HydrophobicContact SD-CD2 3.88Å; M539-Y573 HydrophobicContact SD-CG 3.87Å; Y573-E575 VanDerWaalsContact C-N 3.32Å; Y573-E575 PolarHBondContact O-N 3.49Å; Y573-E576 VanDerWaalsContact C-OE2 3.3Å; Y573-E576 WeakPolarHBondContact CA-OE2 3.4Å; Y573-E576 PolarHBondContact O-N 2.8Å; Y573-L577 WeakPolarHBondContact O-CB 3.45Å; Y573-L577 WeakPolarHBondContact O-CD1 3.48Å; Y573-L577 WeakPolarHBondContact O-CG 3.26Å; Y573-L577 PolarHBondContact O-N 3.42Å
574	Q	97.6	Very high	96.9	Very high	25 Å²	25	59.2 Å²	59.2	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-53.8	-51	-177	177.2	-179.7	4.5	0	0	111.3	Y571 I572 E576 L577 E578	Y571-Q574 HydrophobicContact CD1-CB 4.05Å; Y571-Q574 HydrophobicContact CD1-CG 3.75Å; Y571-Q574 HydrophobicContact CD2-CB 4.18Å; Y571-Q574 HydrophobicContact CE1-CB 4.25Å; Y571-Q574 HydrophobicContact CE1-CG 3.69Å; Y571-Q574 HydrophobicContact CE2-CB 4.38Å; Y571-Q574 HydrophobicContact CG-CB 4.01Å; Y571-Q574 HydrophobicContact CG-CG 4.24Å; Y571-Q574 WeakPolarHBondContact O-CB 3.31Å; I572-Q574 PolarHBondContact O-N 2.91Å; Q574-E576 PolarHBondContact O-N 3.05Å; Q574-L577 PolarHBondContact O-N 3.25Å; Q574-E578 HydrophobicContact CG-CG 4.32Å; Q574-E578 VanDerWaalsContact CG-OE1 3.3Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.36Å; Q574-E578 PolarHBondContact NE2-OE1 3.44Å; Q574-E578 WeakPolarHBondContact O-CB 2.96Å; Q574-E578 WeakPolarHBondContact O-CG 3.43Å; Q574-E578 PolarHBondContact O-N 3.23Å
575	E	97.4	Very high	97	Very high	104 Å²	104	59.6 Å²	59.6	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-44.6	-176.1	-63.9	75.6	-162.7	0	0	111.2	K295 Y573 L577 E579	K295-E575 IonicContact NZ-OE1 3.38Å; K295-E575 PolarHBondContact NZ-OE1 3.24Å; Y573-E575 VanDerWaalsContact C-N 3.32Å; Y573-E575 PolarHBondContact O-N 3.49Å; E575-L577 PolarHBondContact O-N 2.96Å; E575-E579 VanDerWaalsContact O-CB 3.31Å; E575-E579 WeakPolarHBondContact O-CB 3.23Å; E575-E579 PolarHBondContact O-N 3.35Å
576	E	98.2	Very high	97.2	Very high	62 Å²	62	56.8 Å²	56.8	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-37.3	179.4	-60.9	93.5	145.8	0	0	112.6	R291 M539 Y573 Q574 A580	R291-E576 IonicContact CZ-OE1 3.66Å; R291-E576 IonicContact NH1-OE1 2.77Å; R291-E576 IonicContact NH2-OE1 2.75Å; R291-E576 PolarHBondContact NH2-OE1 2.99Å; M539-E576 HydrophobicContact CE-CB 3.94Å; Y573-E576 VanDerWaalsContact C-OE2 3.3Å; Y573-E576 WeakPolarHBondContact CA-OE2 3.4Å; Y573-E576 PolarHBondContact O-N 2.8Å; Q574-E576 PolarHBondContact O-N 3.05Å; E576-A580 WeakPolarHBondContact O-CB 3.27Å; E576-A580 PolarHBondContact O-N 3.07Å
577	L	98.3	Very high	97.2	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-45.1	178.5	-68.6	167.2	0	0	0	112.3	I535 M539 Y571 Y573 Q574 E575 E579 A580 E581 L586 L589	I535-L577 HydrophobicContact CD1-CD1 3.63Å; I535-L577 HydrophobicContact CD1-CD2 4.14Å; I535-L577 HydrophobicContact CD1-CG 4.35Å; M539-L577 HydrophobicContact SD-CD2 4.07Å; M539-L577 HydrophobicContact SD-CG 4.48Å; Y571-L577 HydrophobicContact CE2-CD1 3.81Å; Y573-L577 WeakPolarHBondContact O-CB 3.45Å; Y573-L577 WeakPolarHBondContact O-CD1 3.48Å; Y573-L577 WeakPolarHBondContact O-CG 3.26Å; Y573-L577 PolarHBondContact O-N 3.42Å; Q574-L577 PolarHBondContact O-N 3.25Å; E575-L577 PolarHBondContact O-N 2.96Å; L577-E579 VanDerWaalsContact C-N 3.29Å; L577-E579 PolarHBondContact O-N 3.38Å; L577-A580 PolarHBondContact O-N 2.98Å; L577-E581 PolarHBondContact O-N 2.9Å; L577-L586 HydrophobicContact CD2-CD1 3.94Å; L577-L589 HydrophobicContact CB-CD1 4.39Å; L577-L589 HydrophobicContact CB-CD2 3.84Å
578	E	98.1	Very high	97.3	Very high	80 Å²	80	55.3 Å²	55.3	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-35.9	177.5	-71.6	178.4	-177	0	0	110.8	Q574 E581 K582	Q574-E578 HydrophobicContact CG-CG 4.32Å; Q574-E578 VanDerWaalsContact CG-OE1 3.3Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.36Å; Q574-E578 PolarHBondContact NE2-OE1 3.44Å; Q574-E578 WeakPolarHBondContact O-CB 2.96Å; Q574-E578 WeakPolarHBondContact O-CG 3.43Å; Q574-E578 PolarHBondContact O-N 3.23Å; E578-E581 PolarHBondContact O-N 3.27Å; E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.49Å
579	E	98.3	Very high	97.5	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.561	25%	0.25	S	S	*	.	H	α-helix	trans	-66.2	-42.7	171.9	-178.6	170.6	-165.9	0	0	112.2	E575 L577 E581 K582 N583	E575-E579 VanDerWaalsContact O-CB 3.31Å; E575-E579 WeakPolarHBondContact O-CB 3.23Å; E575-E579 PolarHBondContact O-N 3.35Å; L577-E579 VanDerWaalsContact C-N 3.29Å; L577-E579 PolarHBondContact O-N 3.38Å; E579-E581 VanDerWaalsContact C-N 3.31Å; E579-E581 PolarHBondContact O-N 2.88Å; E579-K582 PolarHBondContact O-N 2.89Å; E579-N583 WeakPolarHBondContact CG-ND2 3.33Å; E579-N583 WeakPolarHBondContact O-CB 3.41Å; E579-N583 PolarHBondContact O-N 2.84Å; E579-N583 PolarHBondContact O-ND2 3.24Å
580	A	98.2	Very high	97.7	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-37.2	176.7	0	0	0	0	0	112.3	V542 E576 L577 S584 V585 L586	V542-A580 HydrophobicContact CG1-CB 3.65Å; E576-A580 WeakPolarHBondContact O-CB 3.27Å; E576-A580 PolarHBondContact O-N 3.07Å; L577-A580 PolarHBondContact O-N 2.98Å; A580-S584 PolarHBondContact O-N 2.83Å; A580-V585 HydrophobicContact CB-CB 4.31Å; A580-V585 WeakPolarHBondContact O-CA 3.44Å; A580-V585 WeakPolarHBondContact O-CB 3.32Å; A580-V585 PolarHBondContact O-N 3.49Å; A580-L586 HydrophobicContact CB-CB 4.5Å; A580-L586 HydrophobicContact CB-CD1 3.98Å; A580-L586 HydrophobicContact CB-CG 3.98Å; A580-L586 PolarHBondContact O-N 2.87Å
581	E	98.3	Very high	97.8	Very high	82 Å²	82	49.5 Å²	49.5	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-47.1	173.4	-176.9	173.9	-127.2	0	0	111.5	L577 E578 E579 N583 S584 L586 L589	L577-E581 PolarHBondContact O-N 2.9Å; E578-E581 PolarHBondContact O-N 3.27Å; E579-E581 VanDerWaalsContact C-N 3.31Å; E579-E581 PolarHBondContact O-N 2.88Å; E581-N583 VanDerWaalsContact C-N 3.26Å; E581-N583 PolarHBondContact O-N 2.98Å; E581-S584 WeakPolarHBondContact O-CA 3.42Å; E581-S584 PolarHBondContact O-N 2.94Å; E581-L586 HydrophobicContact CB-CB 4.31Å; E581-L589 HydrophobicContact CB-CB 4.37Å; E581-L589 HydrophobicContact CB-CD2 4.5Å; E581-L589 HydrophobicContact CG-CB 4.39Å; E581-L589 WeakPolarHBondContact OE1-CB 3.45Å; E581-L589 PolarHBondContact OE1-N 2.98Å; E581-L589 VanDerWaalsContact OE1-N 3.08Å
582	K	97.9	Very high	97.9	Very high	175 Å²	175	49 Å²	49	76%	0.761	25%	0.247	S	C	*	.	H	α-helix	trans	-57.7	-39.5	177.2	-177.5	-178	176.2	-174.5	0	112.4	E578 E579 S584	E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.49Å; E579-K582 PolarHBondContact O-N 2.89Å; K582-S584 PolarHBondContact O-N 3.02Å
583	N	96.6	Very high	97.9	Very high	93 Å²	93	50.8 Å²	50.8	50%	0.497	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.6	176.7	-66.7	-29.3	0	0	0	113	E579 E581 V585	E579-N583 WeakPolarHBondContact CG-ND2 3.33Å; E579-N583 WeakPolarHBondContact O-CB 3.41Å; E579-N583 PolarHBondContact O-N 2.84Å; E579-N583 PolarHBondContact O-ND2 3.24Å; E581-N583 VanDerWaalsContact C-N 3.26Å; E581-N583 PolarHBondContact O-N 2.98Å; N583-V585 HydrophobicContact CB-CG2 4.32Å; N583-V585 PolarHBondContact O-N 3.13Å
584	S	96.9	Very high	97.8	Very high	70 Å²	70	51 Å²	51	49%	0.49	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	17.1	-178	-53.3	0	0	0	0	114.1	K549 A580 E581 K582 L586	K549-S584 PolarHBondContact NZ-O 3.46Å; A580-S584 PolarHBondContact O-N 2.83Å; E581-S584 WeakPolarHBondContact O-CA 3.42Å; E581-S584 PolarHBondContact O-N 2.94Å; K582-S584 PolarHBondContact O-N 3.02Å; S584-L586 CarbonylContact C-O 3.58Å
585	V	97.8	Very high	97.7	Very high	19 Å²	19	55 Å²	55	12%	0.115	27%	0.271	C	S	.	.	S	Bend	trans	-67.8	-47.8	171.7	177.3	0	0	0	0	108.9	V542 R545 T558 A580 N583	V542-V585 HydrophobicContact CG1-CG1 4.06Å; V542-V585 WeakPolarHBondContact O-CG1 3.34Å; R545-V585 HydrophobicContact CB-CG1 4.19Å; T558-V585 VanDerWaalsContact CB-O 3.28Å; T558-V585 WeakPolarHBondContact CB-O 3.36Å; A580-V585 HydrophobicContact CB-CB 4.31Å; A580-V585 WeakPolarHBondContact O-CA 3.44Å; A580-V585 WeakPolarHBondContact O-CB 3.32Å; A580-V585 PolarHBondContact O-N 3.49Å; N583-V585 HydrophobicContact CB-CG2 4.32Å; N583-V585 PolarHBondContact O-N 3.13Å
586	L	98.4	Very high	97.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-84.2	122.9	160.4	-71.3	176.5	0	0	0	108	M528 V542 T558 M560 L577 A580 E581 S584 L589	M528-L586 HydrophobicContact CE-CD2 3.83Å; V542-L586 HydrophobicContact CG1-CG 4.32Å; V542-L586 HydrophobicContact CG2-CD1 4.45Å; V542-L586 HydrophobicContact CG2-CD2 3.61Å; V542-L586 HydrophobicContact CG2-CG 4.12Å; T558-L586 HydrophobicContact CG2-CD2 3.83Å; T558-L586 CarbonylContact O-C 3.56Å; T558-L586 WeakPolarHBondContact O-CA 3.41Å; M560-L586 HydrophobicContact CB-CD1 4.37Å; M560-L586 HydrophobicContact CB-CD2 3.89Å; L577-L586 HydrophobicContact CD2-CD1 3.94Å; A580-L586 HydrophobicContact CB-CB 4.5Å; A580-L586 HydrophobicContact CB-CD1 3.98Å; A580-L586 HydrophobicContact CB-CG 3.98Å; A580-L586 PolarHBondContact O-N 2.87Å; E581-L586 HydrophobicContact CB-CB 4.31Å; S584-L586 CarbonylContact C-O 3.58Å; L586-L589 HydrophobicContact CD1-CD1 4.24Å
587	T	97.6	Very high	97.5	Very high	52 Å²	52	53.9 Å²	53.9	32%	0.319	27%	0.268	S	S	.	.	S	Bend	trans	-80.2	-27.3	175.2	52.4	0	0	0	0	111.7	E557 T558	E557-T587 HydrophobicContact CB-CG2 4.31Å; E557-T587 HydrophobicContact CG-CG2 4.35Å; T558-T587 PolarHBondContact N-OG1 3.33Å; T558-T587 PolarHBondContact O-N 3.41Å; T558-T587 PolarHBondContact O-OG1 2.91Å
588	Q	97.7	Very high	97.3	Very high	51 Å²	51	62.3 Å²	62.3	24%	0.238	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	128.5	174.9	-66.3	176.4	25.4	0	0	110.4	V559 M560 H613	V559-Q588 HydrophobicContact CG1-CB 4.12Å; V559-Q588 HydrophobicContact CG2-CB 4.38Å; M560-Q588 PolarHBondContact N-O 3.43Å; Q588-H613 PolarHBondContact NE2-CD2 3.2Å; Q588-H613 PolarHBondContact NE2-NE2 3.36Å
589	L	98.3	Very high	97.1	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.12	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	101.4	171.5	-179.8	56.4	0	0	0	110.6	M560 Y571 L577 E581 L586 V591	M560-L589 HydrophobicContact CB-CD1 4.07Å; M560-L589 HydrophobicContact CG-CD1 3.98Å; Y571-L589 WeakPolarHBondContact OH-CD2 3.29Å; L577-L589 HydrophobicContact CB-CD1 4.39Å; L577-L589 HydrophobicContact CB-CD2 3.84Å; E581-L589 HydrophobicContact CB-CB 4.37Å; E581-L589 HydrophobicContact CB-CD2 4.5Å; E581-L589 HydrophobicContact CG-CB 4.39Å; E581-L589 WeakPolarHBondContact OE1-CB 3.45Å; E581-L589 PolarHBondContact OE1-N 2.98Å; E581-L589 VanDerWaalsContact OE1-N 3.08Å; L586-L589 HydrophobicContact CD1-CD1 4.24Å; L589-V591 HydrophobicContact CD1-CG2 4Å; L589-V591 HydrophobicContact CG-CG2 3.91Å
590	N	98.3	Very high	97	Very high	27 Å²	27	63.4 Å²	63.4	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.7	177.8	-64	-84.8	0	0	0	109.7	M560 Y561 F562 N610	M560-N590 WeakPolarHBondContact O-CB 3.48Å; M560-N590 PolarHBondContact O-N 3.25Å; Y561-N590 CarbonylContact C-O 3.59Å; Y561-N590 WeakPolarHBondContact CA-O 3.37Å; Y561-N590 HydrophobicContact CD1-CB 3.5Å; Y561-N590 HydrophobicContact CE1-CB 3.63Å; Y561-N590 HydrophobicContact CG-CB 4.18Å; F562-N590 PolarHBondContact N-O 3.38Å; N590-N610 PolarHBondContact OD1-ND2 3.13Å; N590-N610 VanDerWaalsContact OD1-ND2 3.16Å
591	V	98.1	Very high	96.9	Very high	23 Å²	23	63.8 Å²	63.8	14%	0.139	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	-178.2	-169.7	0	0	0	0	111.8	F562 Y571 L589 F593	F562-V591 HydrophobicContact CB-CG2 4.5Å; F562-V591 HydrophobicContact CD1-CG1 3.81Å; F562-V591 CarbonylContact O-C 3.58Å; F562-V591 WeakPolarHBondContact O-CA 3.42Å; Y571-V591 HydrophobicContact CE1-CG2 4.43Å; Y571-V591 HydrophobicContact CE2-CG1 4.32Å; Y571-V591 HydrophobicContact CE2-CG2 4.18Å; Y571-V591 WeakPolarHBondContact OH-CG2 3.23Å; L589-V591 HydrophobicContact CD1-CG2 4Å; L589-V591 HydrophobicContact CG-CG2 3.91Å; V591-F593 HydrophobicContact CB-CE1 4.44Å; V591-F593 HydrophobicContact CB-CE2 4.25Å; V591-F593 HydrophobicContact CB-CZ 3.94Å; V591-F593 HydrophobicContact CG1-CD1 4.09Å; V591-F593 HydrophobicContact CG1-CE1 3.42Å; V591-F593 VanDerWaalsContact CG1-CE1 3.42Å; V591-F593 HydrophobicContact CG1-CE2 4.04Å; V591-F593 HydrophobicContact CG1-CZ 3.39Å
592	A	97.9	Very high	96.8	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.7	177.4	0	0	0	0	0	111	F562 G563 C564 V601 V603	F562-A592 PolarHBondContact O-N 3.41Å; G563-A592 VanDerWaalsContact CA-O 3.27Å; G563-A592 WeakPolarHBondContact CA-O 2.98Å; C564-A592 PolarHBondContact N-O 2.82Å; A592-V601 HydrophobicContact CB-CG1 4.28Å; A592-V603 HydrophobicContact CB-CG1 4.33Å
593	F	97.8	Very high	96.8	Very high	39 Å²	39	56.5 Å²	56.5	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.4	173	-55.7	-65.2	0	0	0	109.9	C564 K567 Y571 V591 R595 D596 Q597	C564-F593 WeakPolarHBondContact SG-CD1 3.23Å; C564-F593 VanDerWaalsContact SG-CE1 3.58Å; K567-F593 HydrophobicContact CB-CD1 3.79Å; K567-F593 HydrophobicContact CB-CD2 4.33Å; K567-F593 HydrophobicContact CB-CE1 3.52Å; K567-F593 HydrophobicContact CB-CE2 4.09Å; K567-F593 HydrophobicContact CB-CG 4.2Å; K567-F593 HydrophobicContact CB-CZ 3.68Å; K567-F593 HydrophobicContact CD-CE2 4.09Å; K567-F593 HydrophobicContact CD-CZ 3.93Å; K567-F593 HydrophobicContact CG-CE1 3.87Å; K567-F593 HydrophobicContact CG-CE2 4.21Å; K567-F593 HydrophobicContact CG-CZ 3.64Å; Y571-F593 AromaticContact CD1-CE1 3.92Å; Y571-F593 HydrophobicContact CD1-CE1 3.92Å; Y571-F593 AromaticContact CD1-CZ 3.94Å; Y571-F593 HydrophobicContact CD1-CZ 3.94Å; Y571-F593 HydrophobicContact CE1-CE1 4.46Å; Y571-F593 HydrophobicContact CE1-CZ 4.1Å; Y571-F593 HydrophobicContact CG-CE1 4.21Å; V591-F593 HydrophobicContact CB-CE1 4.44Å; V591-F593 HydrophobicContact CB-CE2 4.25Å; V591-F593 HydrophobicContact CB-CZ 3.94Å; V591-F593 HydrophobicContact CG1-CD1 4.09Å; V591-F593 HydrophobicContact CG1-CE1 3.42Å; V591-F593 VanDerWaalsContact CG1-CE1 3.42Å; V591-F593 HydrophobicContact CG1-CE2 4.04Å; V591-F593 HydrophobicContact CG1-CZ 3.39Å; F593-R595 PolarHBondContact O-N 3.12Å; F593-D596 HydrophobicContact CB-CB 3.96Å; F593-D596 VanDerWaalsContact CB-OD2 3.29Å; F593-D596 WeakPolarHBondContact CB-OD2 2.89Å; F593-D596 WeakPolarHBondContact CG-OD2 3.49Å; F593-Q597 PolarHBondContact O-NE2 2.87Å; F593-Q597 PolarHBondContact O-OE1 2.93Å
594	S	96.2	Very high	96.7	Very high	13 Å²	13	52.8 Å²	52.8	9%	0.091	26%	0.263	C	S	.	.	S	Bend	trans	-74.6	-10.1	-169.8	61.1	0	0	0	0	115	C564 R565 K600 V601	C564-S594 PolarHBondContact O-N 2.87Å; C564-S594 PolarHBondContact O-OG 3.45Å; R565-S594 WeakPolarHBondContact CA-OG 3.35Å; R565-S594 PolarHBondContact O-N 2.87Å; S594-K600 WeakPolarHBondContact O-CD 3.37Å; S594-V601 WeakPolarHBondContact CA-O 3.48Å; S594-V601 WeakPolarHBondContact CB-O 3.5Å
595	R	95.7	Very high	96.7	Very high	108 Å²	108	52.9 Å²	52.9	41%	0.408	26%	0.256	S	S	.	.	S	Bend	trans	-135.2	5.7	-172.8	-51.6	-165.1	-179.9	-171.8	-5.1	114.6	R565 H566 F593 Q597	R565-R595 HydrophobicContact CB-CG 4.05Å; R565-R595 HydrophobicContact CG-CG 4.41Å; R565-R595 WeakPolarHBondContact O-CA 3.35Å; R565-R595 WeakPolarHBondContact O-CB 3.15Å; R565-R595 PolarHBondContact O-N 3Å; H566-R595 WeakPolarHBondContact CE1-CB 3.28Å; H566-R595 PolarHBondContact CE1-O 3.28Å; H566-R595 PolarHBondContact ND1-O 3.09Å; H566-R595 VanDerWaalsContact NE2-CB 3.27Å; H566-R595 WeakPolarHBondContact NE2-CB 3.3Å; F593-R595 PolarHBondContact O-N 3.12Å; R595-Q597 PolarHBondContact O-N 2.63Å
596	D	95.6	Very high	96.7	Very high	77 Å²	77	53.6 Å²	53.6	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	-79.1	-3.5	177.7	-74.3	-10.4	0	0	0	113.3	H566 K567 F593	H566-D596 VanDerWaalsContact CA-OD1 3.32Å; H566-D596 WeakPolarHBondContact CA-OD1 3.38Å; H566-D596 WeakPolarHBondContact CB-OD1 3.44Å; H566-D596 IonicContact CE1-OD1 3.86Å; H566-D596 IonicContact CG-OD1 2.75Å; H566-D596 IonicContact ND1-OD1 3.13Å; H566-D596 PolarHBondContact ND1-OD1 2.74Å; K567-D596 WeakPolarHBondContact CB-OD2 3.34Å; K567-D596 PolarHBondContact N-OD2 3.11Å; F593-D596 HydrophobicContact CB-CB 3.96Å; F593-D596 VanDerWaalsContact CB-OD2 3.29Å; F593-D596 WeakPolarHBondContact CB-OD2 2.89Å; F593-D596 WeakPolarHBondContact CG-OD2 3.49Å
597	Q	95.2	Very high	96.6	Very high	66 Å²	66	53.6 Å²	53.6	31%	0.308	26%	0.258	S	S	.	.	S	Bend	trans	-144.2	168.2	177.1	66.2	-69	-39.2	0	0	110.9	F593 R595 H599 V601	F593-Q597 PolarHBondContact O-NE2 2.87Å; F593-Q597 PolarHBondContact O-OE1 2.93Å; R595-Q597 PolarHBondContact O-N 2.63Å; Q597-H599 VanDerWaalsContact C-N 3.27Å; Q597-H599 WeakPolarHBondContact CG-O 3.48Å; Q597-H599 PolarHBondContact NE2-O 2.69Å; Q597-H599 PolarHBondContact O-N 2.85Å; Q597-V601 HydrophobicContact CG-CG2 4.36Å; Q597-V601 VanDerWaalsContact NE2-CG2 3.29Å
598	D	94.1	Very high	96.4	Very high	179 Å²	179	54.6 Å²	54.6	96%	0.957	26%	0.258	S	S	*	.	S	Bend	trans	-61.8	-30.1	-174.4	-65.5	-25.2	0	0	0	114.1
599	H	94.5	Very high	96.3	Very high	126 Å²	126	59.5 Å²	59.5	58%	0.583	28%	0.278	S	S	*	.	S	Bend	trans	-105.1	149.8	178.8	63.5	-84.9	0	0	0	111.9	Q597 V601	Q597-H599 VanDerWaalsContact C-N 3.27Å; Q597-H599 WeakPolarHBondContact CG-O 3.48Å; Q597-H599 PolarHBondContact NE2-O 2.69Å; Q597-H599 PolarHBondContact O-N 2.85Å; H599-V601 PolarHBondContact O-N 3.42Å
600	K	95.6	Very high	96.2	Very high	97 Å²	97	60.6 Å²	60.6	42%	0.422	28%	0.284	S	S	.	.			trans	-72.2	126.2	-179.7	-61.3	-54.7	-174.8	-161.6	0	111.6	S594 Y602 H605	S594-K600 WeakPolarHBondContact O-CD 3.37Å; K600-Y602 HydrophobicContact CB-CD2 4.39Å; K600-Y602 HydrophobicContact CB-CE1 4.29Å; K600-Y602 HydrophobicContact CB-CE2 3.78Å; K600-Y602 HydrophobicContact CG-CE2 4.39Å; K600-H605 PolarHBondContact O-CE1 2.81Å; K600-H605 PolarHBondContact O-ND1 3.36Å
601	V	96.6	Very high	96.1	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.109	29%	0.285	C	S	.	.			trans	-111.9	118.1	170.1	179.3	0	0	0	0	109.1	A592 S594 Q597 H599 H606	A592-V601 HydrophobicContact CB-CG1 4.28Å; S594-V601 WeakPolarHBondContact CA-O 3.48Å; S594-V601 WeakPolarHBondContact CB-O 3.5Å; Q597-V601 HydrophobicContact CG-CG2 4.36Å; Q597-V601 VanDerWaalsContact NE2-CG2 3.29Å; H599-V601 PolarHBondContact O-N 3.42Å; V601-H606 WeakPolarHBondContact CG1-NE2 3.45Å
602	Y	96.9	Very high	96	Very high	99 Å²	99	66.5 Å²	66.5	39%	0.388	31%	0.309	S	S	.	.			trans	-119.8	170.9	179.8	-59.6	-50.2	0	0	0	111	K600 Q604 H605 H606	K600-Y602 HydrophobicContact CB-CD2 4.39Å; K600-Y602 HydrophobicContact CB-CE1 4.29Å; K600-Y602 HydrophobicContact CB-CE2 3.78Å; K600-Y602 HydrophobicContact CG-CE2 4.39Å; Y602-Q604 VanDerWaalsContact C-N 3.28Å; Y602-Q604 VanDerWaalsContact CB-CD 3.47Å; Y602-Q604 PolarHBondContact O-N 2.65Å; Y602-H605 PolarHBondContact N-ND1 3.29Å; Y602-H605 VanDerWaalsContact N-ND1 3.16Å; Y602-H605 WeakPolarHBondContact O-CB 3.28Å; Y602-H605 PolarHBondContact O-N 3.23Å; Y602-H606 PolarHBondContact O-N 3.4Å
603	V	96.9	Very high	96	Very high	4 Å²	4	68.7 Å²	68.7	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-37.7	-176.6	-66.7	0	0	0	0	112.5	I529 P531 A592 H605 H606 L607 V638	I529-V603 HydrophobicContact CG2-CB 4.06Å; I529-V603 HydrophobicContact CG2-CG2 3.76Å; P531-V603 HydrophobicContact CB-CG1 4.17Å; P531-V603 HydrophobicContact CG-CG1 4.43Å; P531-V603 HydrophobicContact CG-CG2 4.28Å; A592-V603 HydrophobicContact CB-CG1 4.33Å; V603-H605 PolarHBondContact O-N 3Å; V603-H606 PolarHBondContact O-N 3.16Å; V603-L607 WeakPolarHBondContact O-CG 3.45Å; V603-L607 PolarHBondContact O-N 3.07Å; V603-V638 HydrophobicContact CG2-CG2 3.97Å
604	Q	95.3	Very high	95.9	Very high	16 Å²	16	66.9 Å²	66.9	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-29.6	175.7	65.6	-85.9	32.6	0	0	113	Y602 L607 K608 D637 A641	Y602-Q604 VanDerWaalsContact C-N 3.28Å; Y602-Q604 VanDerWaalsContact CB-CD 3.47Å; Y602-Q604 PolarHBondContact O-N 2.65Å; Q604-L607 PolarHBondContact O-N 3Å; Q604-K608 WeakPolarHBondContact O-CB 3.44Å; Q604-K608 VanDerWaalsContact O-CG 3.26Å; Q604-K608 WeakPolarHBondContact O-CG 3.29Å; Q604-K608 PolarHBondContact O-N 2.76Å; Q604-D637 HydrophobicContact CG-CB 4.29Å; Q604-D637 PolarHBondContact NE2-OD2 3.23Å; Q604-D637 VanDerWaalsContact NE2-OD2 3.1Å; Q604-A641 HydrophobicContact CB-CB 4.16Å
605	H	96.5	Very high	96	Very high	71 Å²	71	67.5 Å²	67.5	33%	0.329	31%	0.311	S	S	.	.	H	α-helix	trans	-70.1	-35.8	174.4	-56.1	154	0	0	0	111.4	K600 Y602 V603 K608 K609	K600-H605 PolarHBondContact O-CE1 2.81Å; K600-H605 PolarHBondContact O-ND1 3.36Å; Y602-H605 PolarHBondContact N-ND1 3.29Å; Y602-H605 VanDerWaalsContact N-ND1 3.16Å; Y602-H605 WeakPolarHBondContact O-CB 3.28Å; Y602-H605 PolarHBondContact O-N 3.23Å; V603-H605 PolarHBondContact O-N 3Å; H605-K608 PolarHBondContact O-N 3.44Å; H605-K609 WeakPolarHBondContact O-CG 3.47Å; H605-K609 PolarHBondContact O-N 3.22Å; H605-K609 VanDerWaalsContact O-N 3.16Å
606	H	96.7	Very high	96.1	Very high	35 Å²	35	67.4 Å²	67.4	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-71.4	-39.4	173.6	-76.3	-88.1	0	0	0	112	Y561 V601 Y602 V603 K608 K609 N610	Y561-H606 HydrophobicContact CD1-CB 3.76Å; Y561-H606 HydrophobicContact CE1-CB 3.81Å; V601-H606 WeakPolarHBondContact CG1-NE2 3.45Å; Y602-H606 PolarHBondContact O-N 3.4Å; V603-H606 PolarHBondContact O-N 3.16Å; H606-K608 VanDerWaalsContact C-N 3.28Å; H606-K608 PolarHBondContact O-N 3.02Å; H606-K609 PolarHBondContact O-N 2.82Å; H606-N610 PolarHBondContact O-N 3.21Å
607	L	96.9	Very high	96.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-46.4	171.4	-65.4	174.2	0	0	0	110.8	I529 Y561 V603 Q604 K609 N610 K611 I614 V638 A641 F642	I529-L607 HydrophobicContact CG1-CD1 4.37Å; I529-L607 HydrophobicContact CG1-CD2 4.2Å; Y561-L607 HydrophobicContact CD1-CD2 3.94Å; Y561-L607 HydrophobicContact CD1-CG 4.31Å; Y561-L607 HydrophobicContact CD2-CD2 3.68Å; Y561-L607 HydrophobicContact CE1-CD2 3.89Å; Y561-L607 HydrophobicContact CE1-CG 4.43Å; Y561-L607 HydrophobicContact CE2-CD2 3.61Å; Y561-L607 HydrophobicContact CG-CD2 3.85Å; Y561-L607 HydrophobicContact CG-CG 4.5Å; V603-L607 WeakPolarHBondContact O-CG 3.45Å; V603-L607 PolarHBondContact O-N 3.07Å; Q604-L607 PolarHBondContact O-N 3Å; L607-K609 PolarHBondContact O-N 3.36Å; L607-N610 CarbonylContact O-C 3.56Å; L607-N610 PolarHBondContact O-N 3.37Å; L607-N610 VanDerWaalsContact O-N 3.15Å; L607-K611 PolarHBondContact O-N 3.44Å; L607-I614 HydrophobicContact CB-CD1 4.11Å; L607-I614 HydrophobicContact CD2-CD1 3.67Å; L607-I614 WeakPolarHBondContact O-CD1 3.14Å; L607-V638 HydrophobicContact CD1-CG1 3.92Å; L607-V638 HydrophobicContact CD1-CG2 4.3Å; L607-A641 HydrophobicContact CD1-CB 4.41Å; L607-F642 HydrophobicContact CD1-CE2 4.35Å; L607-F642 HydrophobicContact CD1-CZ 4.46Å; L607-F642 HydrophobicContact CD2-CZ 4.43Å
608	K	94.3	Very high	96.3	Very high	74 Å²	74	60.9 Å²	60.9	32%	0.322	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.5	177.1	-70.1	-178.8	-168	-153.6	0	114.5	Q604 H605 H606 K611 A641 E644	Q604-K608 WeakPolarHBondContact O-CB 3.44Å; Q604-K608 VanDerWaalsContact O-CG 3.26Å; Q604-K608 WeakPolarHBondContact O-CG 3.29Å; Q604-K608 PolarHBondContact O-N 2.76Å; H605-K608 PolarHBondContact O-N 3.44Å; H606-K608 VanDerWaalsContact C-N 3.28Å; H606-K608 PolarHBondContact O-N 3.02Å; K608-K611 WeakPolarHBondContact O-CE 3.46Å; K608-K611 WeakPolarHBondContact O-CG 3.22Å; K608-A641 HydrophobicContact CG-CB 4.35Å; K608-E644 WeakPolarHBondContact CE-OE2 3.3Å; K608-E644 IonicContact NZ-OE1 3.68Å; K608-E644 PolarHBondContact NZ-OE1 3.29Å; K608-E644 IonicContact NZ-OE2 2.98Å; K608-E644 PolarHBondContact NZ-OE2 2.94Å
609	K	95.6	Very high	96.3	Very high	154 Å²	154	56.8 Å²	56.8	67%	0.67	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-29.6	172	-75.5	174.8	-179.4	-178.8	0	112.1	H605 H606 L607	H605-K609 WeakPolarHBondContact O-CG 3.47Å; H605-K609 PolarHBondContact O-N 3.22Å; H605-K609 VanDerWaalsContact O-N 3.16Å; H606-K609 PolarHBondContact O-N 2.82Å; L607-K609 PolarHBondContact O-N 3.36Å
610	N	95.6	Very high	96.4	Very high	46 Å²	46	54.9 Å²	54.9	25%	0.246	25%	0.253	C	S	.	.	S	Bend	trans	-105.2	25.2	-174.4	-63.2	-29.4	0	0	0	112.9	Y561 N590 H606 L607 E612 H613 I614	Y561-N610 WeakPolarHBondContact OH-CB 3.27Å; Y561-N610 PolarHBondContact OH-ND2 3.03Å; N590-N610 PolarHBondContact OD1-ND2 3.13Å; N590-N610 VanDerWaalsContact OD1-ND2 3.16Å; H606-N610 PolarHBondContact O-N 3.21Å; L607-N610 CarbonylContact O-C 3.56Å; L607-N610 PolarHBondContact O-N 3.37Å; L607-N610 VanDerWaalsContact O-N 3.15Å; N610-E612 PolarHBondContact O-N 3.16Å; N610-H613 PolarHBondContact O-N 2.98Å; N610-I614 HydrophobicContact CB-CD1 4.01Å; N610-I614 HydrophobicContact CB-CG1 4.32Å; N610-I614 WeakPolarHBondContact O-CG1 3.47Å; N610-I614 PolarHBondContact O-N 2.84Å
611	K	95.9	Very high	96.4	Very high	37 Å²	37	52.8 Å²	52.8	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-46.9	-169	-56.5	-170.2	-172.6	-177.7	0	113.8	L607 K608 H613 I614 W615 I645 E648 Y649	L607-K611 PolarHBondContact O-N 3.44Å; K608-K611 WeakPolarHBondContact O-CE 3.46Å; K608-K611 WeakPolarHBondContact O-CG 3.22Å; K611-H613 PolarHBondContact O-N 2.9Å; K611-I614 PolarHBondContact O-N 2.95Å; K611-W615 WeakPolarHBondContact O-CB 3.23Å; K611-W615 PolarHBondContact O-N 3.31Å; K611-I645 HydrophobicContact CB-CG1 3.94Å; K611-I645 HydrophobicContact CB-CG2 4.45Å; K611-I645 HydrophobicContact CD-CG1 4.07Å; K611-I645 HydrophobicContact CG-CD1 4.35Å; K611-I645 HydrophobicContact CG-CG1 3.76Å; K611-E648 VanDerWaalsContact CD-OE2 3.29Å; K611-E648 WeakPolarHBondContact CD-OE2 3.47Å; K611-E648 IonicContact NZ-OE2 3.24Å; K611-E648 PolarHBondContact NZ-OE2 3.08Å; K611-Y649 HydrophobicContact CB-CD2 3.97Å; K611-Y649 HydrophobicContact CB-CE2 3.36Å; K611-Y649 HydrophobicContact CD-CE2 4.15Å; K611-Y649 HydrophobicContact CG-CE2 4.39Å
612	E	96.4	Very high	96.4	Very high	136 Å²	136	55.8 Å²	55.8	64%	0.636	26%	0.262	S	S	*	.	H	α-helix	trans	-59.6	-48.8	-178.1	-174.4	176.4	177.1	0	0	111.7	N610 W615 K616 Y649	N610-E612 PolarHBondContact O-N 3.16Å; E612-W615 PolarHBondContact O-N 3.3Å; E612-K616 PolarHBondContact O-N 2.84Å; E612-Y649 HydrophobicContact CB-CD1 4.41Å; E612-Y649 HydrophobicContact CB-CE1 3.56Å; E612-Y649 HydrophobicContact CG-CD1 4.42Å; E612-Y649 HydrophobicContact CG-CE1 3.75Å
613	H	96.9	Very high	96.4	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.218	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-44	179.1	177.2	61	0	0	0	111.5	E557 Q588 N610 K611 W615 K616 L617	E557-H613 IonicContact OE1-CE1 2.86Å; E557-H613 IonicContact OE2-CE1 3.35Å; E557-H613 PolarHBondContact OE2-CE1 3.03Å; E557-H613 VanDerWaalsContact OE2-CE1 3.28Å; E557-H613 IonicContact OE2-NE2 2.81Å; E557-H613 PolarHBondContact OE2-NE2 3.09Å; Q588-H613 PolarHBondContact NE2-CD2 3.2Å; Q588-H613 PolarHBondContact NE2-NE2 3.36Å; N610-H613 PolarHBondContact O-N 2.98Å; K611-H613 PolarHBondContact O-N 2.9Å; H613-W615 VanDerWaalsContact C-N 3.34Å; H613-W615 PolarHBondContact O-N 3.13Å; H613-K616 PolarHBondContact O-N 2.86Å; H613-L617 WeakPolarHBondContact NE2-CD1 3.44Å; H613-L617 WeakPolarHBondContact O-CG 3.08Å; H613-L617 PolarHBondContact O-N 2.85Å
614	I	97.3	Very high	96.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.6	-71.1	167	0	0	0	110.9	I527 Y561 L607 N610 K611 K616 L617 I618 F642 I645	I527-I614 HydrophobicContact CD1-CG2 4.24Å; Y561-I614 HydrophobicContact CE2-CD1 4.47Å; L607-I614 HydrophobicContact CB-CD1 4.11Å; L607-I614 HydrophobicContact CD2-CD1 3.67Å; L607-I614 WeakPolarHBondContact O-CD1 3.14Å; N610-I614 HydrophobicContact CB-CD1 4.01Å; N610-I614 HydrophobicContact CB-CG1 4.32Å; N610-I614 WeakPolarHBondContact O-CG1 3.47Å; N610-I614 PolarHBondContact O-N 2.84Å; K611-I614 PolarHBondContact O-N 2.95Å; I614-K616 PolarHBondContact O-N 3.04Å; I614-L617 PolarHBondContact O-N 3.45Å; I614-I618 HydrophobicContact CG2-CD1 3.48Å; I614-I618 VanDerWaalsContact CG2-CD1 3.48Å; I614-I618 HydrophobicContact CG2-CG1 4.36Å; I614-I618 VanDerWaalsContact O-CG1 3.27Å; I614-I618 WeakPolarHBondContact O-CG1 3.27Å; I614-I618 PolarHBondContact O-N 3.26Å; I614-F642 HydrophobicContact CG2-CD1 4.33Å; I614-F642 HydrophobicContact CG2-CE1 3.76Å; I614-I645 HydrophobicContact CB-CD1 4.44Å; I614-I645 HydrophobicContact CD1-CD1 4.21Å; I614-I645 HydrophobicContact CG2-CD1 3.97Å; I614-I645 HydrophobicContact CG2-CG2 4.49Å
615	W	97.9	Very high	96.7	Very high	27 Å²	27	51.5 Å²	51.5	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-45.1	178.8	-179.8	-108.6	0	0	0	111.5	K611 E612 H613 L617 I618 H619 I645 A646 Y649 M652 Y660	K611-W615 WeakPolarHBondContact O-CB 3.23Å; K611-W615 PolarHBondContact O-N 3.31Å; E612-W615 PolarHBondContact O-N 3.3Å; H613-W615 VanDerWaalsContact C-N 3.34Å; H613-W615 PolarHBondContact O-N 3.13Å; W615-L617 PolarHBondContact O-N 2.8Å; W615-I618 PolarHBondContact O-N 3.12Å; W615-H619 HydrophobicContact CD2-CB 4.07Å; W615-H619 AromaticContact CE2-CG 3.87Å; W615-H619 HydrophobicContact CG-CB 4.5Å; W615-H619 HydrophobicContact CH2-CB 4.44Å; W615-H619 AromaticContact CH2-ND1 3.77Å; W615-H619 HydrophobicContact CZ2-CB 3.93Å; W615-H619 AromaticContact CZ2-CG 3.69Å; W615-H619 AromaticContact CZ2-ND1 3.36Å; W615-H619 WeakPolarHBondContact CZ2-ND1 3.44Å; W615-H619 WeakPolarHBondContact O-CB 3.29Å; W615-H619 PolarHBondContact O-N 2.74Å; W615-I645 HydrophobicContact CB-CG2 3.93Å; W615-I645 HydrophobicContact CE3-CG2 4.14Å; W615-A646 HydrophobicContact CE3-CB 4.44Å; W615-A646 HydrophobicContact CH2-CB 4.21Å; W615-A646 VanDerWaalsContact CZ3-CA 3.48Å; W615-A646 HydrophobicContact CZ3-CB 3.62Å; W615-Y649 HydrophobicContact CB-CG 4.17Å; W615-Y649 VanDerWaalsContact CD1-CB 3.42Å; W615-Y649 HydrophobicContact CG-CG 4.23Å; W615-Y649 PolarHBondContact NE1-O 3.29Å; W615-M652 HydrophobicContact CH2-CE 4Å; W615-Y660 HydrophobicContact CH2-CE1 4.13Å; W615-Y660 HydrophobicContact CZ3-CD1 4.44Å; W615-Y660 AromaticContact CZ3-CE1 3.9Å; W615-Y660 HydrophobicContact CZ3-CE1 3.9Å
616	K	97.8	Very high	96.8	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	23%	0.23	S	C	.	.	H	α-helix	trans	-56.4	-49.6	174.3	-177.3	-166.9	169.4	-165.2	0	111.3	E612 H613 I614 I618 T620 D621	E612-K616 PolarHBondContact O-N 2.84Å; H613-K616 PolarHBondContact O-N 2.86Å; I614-K616 PolarHBondContact O-N 3.04Å; K616-I618 VanDerWaalsContact C-N 3.32Å; K616-I618 PolarHBondContact O-N 3.38Å; K616-T620 WeakPolarHBondContact O-CA 3.46Å; K616-T620 VanDerWaalsContact O-CB 3.27Å; K616-T620 WeakPolarHBondContact O-CB 3.34Å; K616-T620 PolarHBondContact O-N 3.36Å; K616-D621 PolarHBondContact O-N 2.62Å; K616-D621 VanDerWaalsContact O-N 3.12Å
617	L	97.8	Very high	96.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-45.8	179.4	-74.5	-179.5	0	0	0	111.6	P525 I527 E557 V559 H613 I614 W615 D621 N622 A623	P525-L617 HydrophobicContact CB-CD2 3.93Å; P525-L617 HydrophobicContact CG-CD2 3.98Å; I527-L617 HydrophobicContact CD1-CB 4.16Å; I527-L617 HydrophobicContact CD1-CD1 4.16Å; I527-L617 HydrophobicContact CG1-CD1 4.18Å; E557-L617 HydrophobicContact CB-CD2 4.32Å; V559-L617 HydrophobicContact CG2-CD1 4.03Å; H613-L617 WeakPolarHBondContact NE2-CD1 3.44Å; H613-L617 WeakPolarHBondContact O-CG 3.08Å; H613-L617 PolarHBondContact O-N 2.85Å; I614-L617 PolarHBondContact O-N 3.45Å; W615-L617 PolarHBondContact O-N 2.8Å; L617-D621 HydrophobicContact CD2-CB 4.46Å; L617-D621 CarbonylContact O-C 3.15Å; L617-D621 PolarHBondContact O-N 3.01Å; L617-N622 PolarHBondContact O-N 3.36Å; L617-A623 HydrophobicContact CB-CB 3.91Å; L617-A623 WeakPolarHBondContact O-CB 3.43Å; L617-A623 PolarHBondContact O-N 3.37Å
618	I	96.9	Very high	96.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-73.1	-51.8	-177.5	-64.5	165.1	0	0	0	111.3	I527 I614 W615 K616 I625 F642 Y660 L664 R669	I527-I618 HydrophobicContact CD1-CD1 4.27Å; I527-I618 HydrophobicContact CD1-CG1 3.91Å; I614-I618 HydrophobicContact CG2-CD1 3.48Å; I614-I618 VanDerWaalsContact CG2-CD1 3.48Å; I614-I618 HydrophobicContact CG2-CG1 4.36Å; I614-I618 VanDerWaalsContact O-CG1 3.27Å; I614-I618 WeakPolarHBondContact O-CG1 3.27Å; I614-I618 PolarHBondContact O-N 3.26Å; W615-I618 PolarHBondContact O-N 3.12Å; K616-I618 VanDerWaalsContact C-N 3.32Å; K616-I618 PolarHBondContact O-N 3.38Å; I618-I625 HydrophobicContact CD1-CD1 3.63Å; I618-I625 HydrophobicContact CD1-CG1 4.23Å; I618-I625 HydrophobicContact CG1-CD1 3.91Å; I618-I625 HydrophobicContact CG1-CG1 4.2Å; I618-F642 HydrophobicContact CD1-CD1 3.81Å; I618-F642 HydrophobicContact CD1-CE1 3.65Å; I618-Y660 HydrophobicContact CG2-CE1 4.14Å; I618-L664 HydrophobicContact CG2-CD1 3.71Å; I618-R669 PolarHBondContact O-NH2 3.47Å
619	H	95	Very high	96.8	Very high	93 Å²	93	43 Å²	43	43%	0.431	21%	0.208	S	C	.	.	H	α-helix	trans	-78.4	-43	-169.4	-170.1	83.9	0	0	0	112.1	W615 Y660	W615-H619 HydrophobicContact CD2-CB 4.07Å; W615-H619 AromaticContact CE2-CG 3.87Å; W615-H619 HydrophobicContact CG-CB 4.5Å; W615-H619 HydrophobicContact CH2-CB 4.44Å; W615-H619 AromaticContact CH2-ND1 3.77Å; W615-H619 HydrophobicContact CZ2-CB 3.93Å; W615-H619 AromaticContact CZ2-CG 3.69Å; W615-H619 AromaticContact CZ2-ND1 3.36Å; W615-H619 WeakPolarHBondContact CZ2-ND1 3.44Å; W615-H619 WeakPolarHBondContact O-CB 3.29Å; W615-H619 PolarHBondContact O-N 2.74Å; H619-Y660 PolarHBondContact ND1-OH 3.25Å
620	T	95.1	Very high	96.6	Very high	86 Å²	86	38.4 Å²	38.4	53%	0.528	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-50	-173.8	-51.2	0	0	0	0	111.6	K616 N622	K616-T620 WeakPolarHBondContact O-CA 3.46Å; K616-T620 VanDerWaalsContact O-CB 3.27Å; K616-T620 WeakPolarHBondContact O-CB 3.34Å; K616-T620 PolarHBondContact O-N 3.36Å; T620-N622 VanDerWaalsContact C-N 3.29Å; T620-N622 PolarHBondContact O-N 2.85Å
621	D	96.3	Very high	96.1	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.283	18%	0.181	S	C	.	.	S	Bend	trans	-90.8	6.9	-168.6	-53.6	-34.5	0	0	0	113.3	P525 K616 L617 A623	P525-D621 WeakPolarHBondContact CD-O 3.24Å; P525-D621 HydrophobicContact CG-CB 3.95Å; K616-D621 PolarHBondContact O-N 2.62Å; K616-D621 VanDerWaalsContact O-N 3.12Å; L617-D621 HydrophobicContact CD2-CB 4.46Å; L617-D621 CarbonylContact O-C 3.15Å; L617-D621 PolarHBondContact O-N 3.01Å; D621-A623 VanDerWaalsContact C-N 3.29Å; D621-A623 PolarHBondContact O-N 2.78Å
622	N	96	Very high	95.5	Very high	82 Å²	82	40.4 Å²	40.4	44%	0.439	19%	0.194	S	C	.	.			trans	55.8	36.9	178.3	-66.5	-69.8	0	0	0	114.7	L617 T620 H624 R669	L617-N622 PolarHBondContact O-N 3.36Å; T620-N622 VanDerWaalsContact C-N 3.29Å; T620-N622 PolarHBondContact O-N 2.85Å; N622-H624 PolarHBondContact O-CD2 3.26Å; N622-R669 VanDerWaalsContact CA-CZ 3.48Å; N622-R669 VanDerWaalsContact CA-NH2 3.28Å; N622-R669 PolarHBondContact O-NE 2.85Å; N622-R669 PolarHBondContact OD1-NH1 2.85Å
623	A	98.1	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	-58.7	152.9	178.9	0	0	0	0	0	113.3	P525 I527 L617 D621 R669	P525-A623 HydrophobicContact CB-CB 3.86Å; P525-A623 HydrophobicContact CG-CB 4.45Å; P525-A623 CarbonylContact O-C 3.49Å; P525-A623 VanDerWaalsContact O-CA 3.26Å; P525-A623 WeakPolarHBondContact O-CA 3.44Å; I527-A623 HydrophobicContact CD1-CB 4.29Å; I527-A623 HydrophobicContact CG1-CB 4.39Å; L617-A623 HydrophobicContact CB-CB 3.91Å; L617-A623 WeakPolarHBondContact O-CB 3.43Å; L617-A623 PolarHBondContact O-N 3.37Å; D621-A623 VanDerWaalsContact C-N 3.29Å; D621-A623 PolarHBondContact O-N 2.78Å; A623-R669 PolarHBondContact O-NE 3.06Å; A623-R669 VanDerWaalsContact O-NE 3.12Å; A623-R669 PolarHBondContact O-NH2 2.9Å
624	H	98.6	Very high	95	Very high	27 Å²	27	37.6 Å²	37.6	13%	0.125	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.9	169.9	-69	-126.4	0	0	0	110.1	P519 P525 V526 I527 N622 Y626 G668 R669	P519-H624 HydrophobicContact CG-CB 3.89Å; P519-H624 VanDerWaalsContact CG-CD2 3.5Å; P519-H624 WeakPolarHBondContact CG-CD2 2.85Å; P525-H624 PolarHBondContact O-N 2.78Å; V526-H624 CarbonylContact C-O 3.58Å; V526-H624 WeakPolarHBondContact CA-O 3.48Å; I527-H624 PolarHBondContact N-O 2.7Å; N622-H624 PolarHBondContact O-CD2 3.26Å; H624-Y626 HydrophobicContact CB-CE2 3.57Å; H624-Y626 WeakPolarHBondContact CB-OH 3.35Å; H624-G668 PolarHBondContact ND1-O 3.44Å; H624-G668 VanDerWaalsContact ND1-O 3.1Å; H624-R669 CarbonylContact C-O 3.5Å; H624-R669 WeakPolarHBondContact CA-O 3.17Å
625	I	98.7	Very high	94.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.3	-179.4	-58.1	161.3	0	0	0	108.4	I527 I529 I618 V627 F642 L664 R669 Y670 S671	I527-I625 HydrophobicContact CD1-CG1 4.43Å; I527-I625 CarbonylContact O-C 3.58Å; I527-I625 WeakPolarHBondContact O-CA 3.26Å; I529-I625 HydrophobicContact CD1-CG2 3.92Å; I618-I625 HydrophobicContact CD1-CD1 3.63Å; I618-I625 HydrophobicContact CD1-CG1 4.23Å; I618-I625 HydrophobicContact CG1-CD1 3.91Å; I618-I625 HydrophobicContact CG1-CG1 4.2Å; I625-V627 HydrophobicContact CG2-CG2 4.33Å; I625-F642 HydrophobicContact CD1-CD1 4.18Å; I625-F642 HydrophobicContact CD1-CE1 3.92Å; I625-F642 HydrophobicContact CD1-CZ 4.1Å; I625-F642 HydrophobicContact CG1-CE1 4.34Å; I625-F642 HydrophobicContact CG1-CZ 4.22Å; I625-F642 HydrophobicContact CG2-CE1 4.45Å; I625-F642 HydrophobicContact CG2-CE2 3.61Å; I625-F642 HydrophobicContact CG2-CZ 3.58Å; I625-L664 HydrophobicContact CD1-CD1 4.17Å; I625-R669 PolarHBondContact N-O 2.99Å; I625-Y670 HydrophobicContact CB-CD2 3.96Å; I625-Y670 HydrophobicContact CB-CE2 4.5Å; I625-Y670 HydrophobicContact CB-CG 4.21Å; I625-Y670 HydrophobicContact CD1-CD2 3.68Å; I625-Y670 HydrophobicContact CD1-CE2 4.29Å; I625-Y670 HydrophobicContact CG1-CD2 4.47Å; I625-Y670 HydrophobicContact CG2-CD2 3.82Å; I625-Y670 HydrophobicContact CG2-CE2 3.85Å; I625-Y670 HydrophobicContact CG2-CG 4.26Å; I625-Y670 CarbonylContact O-C 3.59Å; I625-Y670 WeakPolarHBondContact O-CA 3.45Å; I625-S671 PolarHBondContact O-N 2.91Å
626	Y	98.6	Very high	94.4	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.8	177.7	-59.5	-84.1	0	0	0	110.2	F516 R517 P519 V526 I527 M528 I529 F538 F541 H624 S671	F516-Y626 HydrophobicContact CD1-CD1 4.45Å; F516-Y626 HydrophobicContact CD2-CD1 4.21Å; F516-Y626 HydrophobicContact CE1-CD1 4.07Å; F516-Y626 AromaticContact CE2-CD1 3.81Å; F516-Y626 HydrophobicContact CE2-CD1 3.81Å; F516-Y626 HydrophobicContact CE2-CG 4.44Å; F516-Y626 AromaticContact CZ-CD1 3.78Å; F516-Y626 HydrophobicContact CZ-CD1 3.78Å; F516-Y626 HydrophobicContact CZ-CG 4.12Å; R517-Y626 WeakPolarHBondContact O-CE1 3.44Å; R517-Y626 VanDerWaalsContact O-CZ 3.23Å; R517-Y626 PolarHBondContact O-OH 3.19Å; P519-Y626 VanDerWaalsContact CD-OH 3.28Å; P519-Y626 WeakPolarHBondContact CD-OH 3.12Å; V526-Y626 HydrophobicContact CB-CD2 4.39Å; V526-Y626 HydrophobicContact CB-CE2 4.03Å; V526-Y626 HydrophobicContact CG1-CE2 3.79Å; I527-Y626 PolarHBondContact O-N 3.5Å; M528-Y626 HydrophobicContact CG-CD2 4.43Å; I529-Y626 VanDerWaalsContact CD1-O 3.31Å; I529-Y626 WeakPolarHBondContact CD1-O 3.47Å; I529-Y626 PolarHBondContact N-O 2.72Å; F538-Y626 VanDerWaalsContact CE1-CB 3.41Å; F538-Y626 HydrophobicContact CE1-CG 4.25Å; F541-Y626 AromaticContact CE2-CD1 3.73Å; F541-Y626 HydrophobicContact CE2-CD1 3.73Å; F541-Y626 HydrophobicContact CE2-CD2 4.1Å; F541-Y626 AromaticContact CE2-CE1 3.79Å; F541-Y626 HydrophobicContact CE2-CE1 3.79Å; F541-Y626 HydrophobicContact CE2-CE2 4.15Å; F541-Y626 AromaticContact CE2-CG 3.9Å; F541-Y626 HydrophobicContact CE2-CG 3.9Å; F541-Y626 HydrophobicContact CZ-CD1 4.34Å; F541-Y626 HydrophobicContact CZ-CE1 4.22Å; H624-Y626 HydrophobicContact CB-CE2 3.57Å; H624-Y626 WeakPolarHBondContact CB-OH 3.35Å; Y626-S671 WeakPolarHBondContact CA-O 3.48Å
627	V	98.2	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.3	177.3	-175.5	0	0	0	0	109.2	I529 I625 M634 A635 V638 Y670 S671 Q672 D673	I529-V627 HydrophobicContact CB-CG2 4.48Å; I529-V627 HydrophobicContact CD1-CG2 4.29Å; I529-V627 WeakPolarHBondContact O-CA 3.49Å; I625-V627 HydrophobicContact CG2-CG2 4.33Å; V627-M634 HydrophobicContact CG1-CE 3.89Å; V627-M634 HydrophobicContact CG1-SD 4.01Å; V627-A635 HydrophobicContact CG1-CB 4.47Å; V627-V638 HydrophobicContact CG1-CG1 4.37Å; V627-V638 HydrophobicContact CG2-CG1 3.74Å; V627-Y670 HydrophobicContact CG2-CE1 3.95Å; V627-Y670 WeakPolarHBondContact CG2-OH 3.2Å; V627-S671 PolarHBondContact N-O 3.23Å; V627-Q672 HydrophobicContact CB-CG 4.34Å; V627-Q672 CarbonylContact O-C 3.59Å; V627-Q672 WeakPolarHBondContact O-CA 3.09Å; V627-D673 PolarHBondContact O-N 2.91Å
628	C	96.9	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.3	-177.6	-177.4	0	0	0	0	111.9	F516 I529 G530 G534 P537 F538 M634 D673 W675	F516-C628 HydrophobicContact CZ-CB 4.34Å; I529-C628 PolarHBondContact O-N 3.05Å; G530-C628 WeakPolarHBondContact CA-O 3.46Å; G534-C628 WeakPolarHBondContact CA-O 3.33Å; G534-C628 VanDerWaalsContact O-CB 3.27Å; G534-C628 WeakPolarHBondContact O-CB 3.49Å; G534-C628 PolarHBondContact O-SG 3.13Å; P537-C628 VanDerWaalsContact CD-SG 3.52Å; P537-C628 HydrophobicContact CG-CB 4.03Å; P537-C628 WeakPolarHBondContact CG-SG 3.2Å; F538-C628 HydrophobicContact CE2-CB 3.64Å; F538-C628 HydrophobicContact CZ-CB 3.73Å; C628-M634 VanDerWaalsContact O-CE 3.22Å; C628-M634 WeakPolarHBondContact O-CE 3.2Å; C628-D673 WeakPolarHBondContact CA-O 3.17Å; C628-D673 HydrophobicContact CB-CB 4.47Å; C628-D673 PolarHBondContact SG-O 3.43Å; C628-W675 WeakPolarHBondContact SG-CH2 3.45Å; C628-W675 WeakPolarHBondContact SG-CZ3 3.41Å
629	G	93.5	Very high	94.2	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.2	-135.4	179.8	0	0	0	0	0	114	A631 D673 V674 W675	G629-A631 PolarHBondContact O-N 3.19Å; G629-D673 PolarHBondContact N-O 2.61Å; G629-V674 VanDerWaalsContact O-CA 3.27Å; G629-V674 WeakPolarHBondContact O-CA 3.44Å; G629-W675 PolarHBondContact O-N 2.65Å
630	D	91.6	Very high	94.2	Very high	56 Å²	56	39.8 Å²	39.8	30%	0.299	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	116.8	-174.3	171.6	57.1	0	0	0	112.7	R632 N633 M634 A635	D630-R632 PolarHBondContact OD1-N 3.48Å; D630-N633 WeakPolarHBondContact OD2-CA 3.34Å; D630-N633 WeakPolarHBondContact OD2-CB 3.27Å; D630-N633 PolarHBondContact OD2-N 3.47Å; D630-N633 PolarHBondContact OD2-ND2 2.82Å; D630-M634 HydrophobicContact CB-CB 3.95Å; D630-M634 PolarHBondContact OD2-N 3.22Å; D630-A635 PolarHBondContact O-N 3.31Å; D630-A635 VanDerWaalsContact O-N 3.13Å
631	A	84.9	Confident	94.3	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.6	177	0	0	0	0	0	113	G629 V674 W675	G629-A631 PolarHBondContact O-N 3.19Å; A631-V674 HydrophobicContact CB-CB 3.74Å; A631-V674 HydrophobicContact CB-CG2 3.67Å; A631-W675 PolarHBondContact N-O 3.39Å
632	R	83.4	Confident	94.4	Very high	120 Å²	120	33.5 Å²	33.5	45%	0.453	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-45	-167.2	-71.9	-175.5	169.3	-170.6	-4.7	112.9	D210 D630 K636	D210-R632 IonicContact OD1-NE 2.6Å; D630-R632 PolarHBondContact OD1-N 3.48Å; R632-K636 WeakPolarHBondContact O-CD 3.37Å
633	N	89.1	Confident	94.4	Very high	105 Å²	105	30.5 Å²	30.5	56%	0.561	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-53.6	-173.9	-49.7	-82.2	0	0	0	111.3	D630 A635 K636 D637	D630-N633 WeakPolarHBondContact OD2-CA 3.34Å; D630-N633 WeakPolarHBondContact OD2-CB 3.27Å; D630-N633 PolarHBondContact OD2-N 3.47Å; D630-N633 PolarHBondContact OD2-ND2 2.82Å; N633-A635 PolarHBondContact O-N 3.27Å; N633-K636 PolarHBondContact O-N 3.35Å; N633-D637 PolarHBondContact O-N 3.23Å
634	M	93.5	Very high	94.4	Very high	19 Å²	19	32.9 Å²	32.9	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-47	-169.6	-175.1	-79.5	-60.4	0	0	112.7	P531 V627 C628 D630 K636 D637 V638	P531-M634 HydrophobicContact CG-CE 4.07Å; P531-M634 HydrophobicContact CG-CG 3.53Å; P531-M634 HydrophobicContact CG-SD 3.84Å; V627-M634 HydrophobicContact CG1-CE 3.89Å; V627-M634 HydrophobicContact CG1-SD 4.01Å; C628-M634 VanDerWaalsContact O-CE 3.22Å; C628-M634 WeakPolarHBondContact O-CE 3.2Å; D630-M634 HydrophobicContact CB-CB 3.95Å; D630-M634 PolarHBondContact OD2-N 3.22Å; M634-K636 VanDerWaalsContact C-N 3.32Å; M634-K636 PolarHBondContact O-N 3.17Å; M634-D637 PolarHBondContact O-N 3.21Å; M634-V638 WeakPolarHBondContact O-CG2 3.45Å; M634-V638 PolarHBondContact O-N 3.23Å; M634-V638 HydrophobicContact SD-CG2 3.69Å
635	A	91.7	Very high	94.3	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-43	179.4	0	0	0	0	0	112.4	V627 D630 N633 V638 Q639 V674	V627-A635 HydrophobicContact CG1-CB 4.47Å; D630-A635 PolarHBondContact O-N 3.31Å; D630-A635 VanDerWaalsContact O-N 3.13Å; N633-A635 PolarHBondContact O-N 3.27Å; A635-V638 PolarHBondContact O-N 3.32Å; A635-Q639 WeakPolarHBondContact O-CB 3.45Å; A635-Q639 PolarHBondContact O-N 3.28Å; A635-V674 HydrophobicContact CB-CG1 3.95Å
636	K	91.4	Very high	94.2	Very high	91 Å²	91	31.7 Å²	31.7	40%	0.396	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-45.5	178	-63.6	-177.3	-176.9	171.6	0	111.6	R632 N633 M634 V638 Q639 M640	R632-K636 WeakPolarHBondContact O-CD 3.37Å; N633-K636 PolarHBondContact O-N 3.35Å; M634-K636 VanDerWaalsContact C-N 3.32Å; M634-K636 PolarHBondContact O-N 3.17Å; K636-V638 VanDerWaalsContact C-N 3.33Å; K636-V638 PolarHBondContact O-N 3.04Å; K636-Q639 PolarHBondContact O-N 3.02Å; K636-M640 WeakPolarHBondContact O-CG 3.45Å; K636-M640 PolarHBondContact O-N 3.02Å
637	D	94.9	Very high	94.1	Very high	71 Å²	71	33.9 Å²	33.9	38%	0.38	16%	0.163	S	C	.	.	H	α-helix	trans	-62.6	-39.4	178.3	-76.9	-11.2	0	0	0	112.4	Q604 N633 M634 M640 A641	Q604-D637 HydrophobicContact CG-CB 4.29Å; Q604-D637 PolarHBondContact NE2-OD2 3.23Å; Q604-D637 VanDerWaalsContact NE2-OD2 3.1Å; N633-D637 PolarHBondContact O-N 3.23Å; M634-D637 PolarHBondContact O-N 3.21Å; D637-M640 PolarHBondContact O-N 2.93Å; D637-A641 PolarHBondContact O-N 3.21Å
638	V	96.8	Very high	94	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-43.9	176	169.1	0	0	0	0	110.9	I529 V603 L607 V627 M634 A635 K636 M640 A641 F642	I529-V638 HydrophobicContact CG2-CG1 4.35Å; I529-V638 HydrophobicContact CG2-CG2 3.9Å; V603-V638 HydrophobicContact CG2-CG2 3.97Å; L607-V638 HydrophobicContact CD1-CG1 3.92Å; L607-V638 HydrophobicContact CD1-CG2 4.3Å; V627-V638 HydrophobicContact CG1-CG1 4.37Å; V627-V638 HydrophobicContact CG2-CG1 3.74Å; M634-V638 WeakPolarHBondContact O-CG2 3.45Å; M634-V638 PolarHBondContact O-N 3.23Å; M634-V638 HydrophobicContact SD-CG2 3.69Å; A635-V638 PolarHBondContact O-N 3.32Å; K636-V638 VanDerWaalsContact C-N 3.33Å; K636-V638 PolarHBondContact O-N 3.04Å; V638-M640 VanDerWaalsContact C-N 3.34Å; V638-M640 PolarHBondContact O-N 2.99Å; V638-A641 WeakPolarHBondContact O-CB 3.37Å; V638-A641 PolarHBondContact O-N 3.24Å; V638-A641 VanDerWaalsContact O-N 3.17Å; V638-F642 HydrophobicContact CG1-CD2 3.89Å; V638-F642 HydrophobicContact CG1-CE2 3.57Å; V638-F642 VanDerWaalsContact O-CD2 3.23Å; V638-F642 WeakPolarHBondContact O-CD2 3.47Å; V638-F642 PolarHBondContact O-N 3.27Å
639	Q	95.2	Very high	94	Very high	31 Å²	31	43.2 Å²	43.2	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-43.2	175.8	-172.5	172.3	8.7	0	0	111.6	A635 K636 A641 F642 Y643	A635-Q639 WeakPolarHBondContact O-CB 3.45Å; A635-Q639 PolarHBondContact O-N 3.28Å; K636-Q639 PolarHBondContact O-N 3.02Å; Q639-A641 VanDerWaalsContact C-N 3.32Å; Q639-A641 PolarHBondContact O-N 2.89Å; Q639-F642 PolarHBondContact O-N 3.2Å; Q639-F642 VanDerWaalsContact O-N 3.15Å; Q639-Y643 HydrophobicContact CG-CE1 3.86Å; Q639-Y643 HydrophobicContact CG-CE2 4.06Å; Q639-Y643 WeakPolarHBondContact CG-OH 3.21Å; Q639-Y643 PolarHBondContact NE2-OH 3.34Å; Q639-Y643 PolarHBondContact O-N 3.13Å
640	M	95.8	Very high	94	Very high	80 Å²	80	44.2 Å²	44.2	39%	0.394	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-40.1	173.3	-73.3	-52.6	-63.9	0	0	112.5	K636 D637 V638 F642 Y643 E644	K636-M640 WeakPolarHBondContact O-CG 3.45Å; K636-M640 PolarHBondContact O-N 3.02Å; D637-M640 PolarHBondContact O-N 2.93Å; V638-M640 VanDerWaalsContact C-N 3.34Å; V638-M640 PolarHBondContact O-N 2.99Å; M640-F642 VanDerWaalsContact C-N 3.33Å; M640-F642 PolarHBondContact O-N 3.01Å; M640-Y643 HydrophobicContact CE-CD2 4.3Å; M640-Y643 WeakPolarHBondContact O-CB 3.19Å; M640-Y643 PolarHBondContact O-N 3.49Å; M640-Y643 HydrophobicContact SD-CD2 3.57Å; M640-Y643 VanDerWaalsContact SD-CD2 3.57Å; M640-Y643 HydrophobicContact SD-CE2 3.86Å; M640-E644 WeakPolarHBondContact O-CG 3.48Å; M640-E644 PolarHBondContact O-N 2.91Å
641	A	97.3	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.1	0	0	0	0	0	112.2	Q604 L607 K608 D637 V638 Q639 E644 I645	Q604-A641 HydrophobicContact CB-CB 4.16Å; L607-A641 HydrophobicContact CD1-CB 4.41Å; K608-A641 HydrophobicContact CG-CB 4.35Å; D637-A641 PolarHBondContact O-N 3.21Å; V638-A641 WeakPolarHBondContact O-CB 3.37Å; V638-A641 PolarHBondContact O-N 3.24Å; V638-A641 VanDerWaalsContact O-N 3.17Å; Q639-A641 VanDerWaalsContact C-N 3.32Å; Q639-A641 PolarHBondContact O-N 2.89Å; A641-E644 PolarHBondContact O-N 3.44Å; A641-I645 VanDerWaalsContact O-CG1 3.25Å; A641-I645 WeakPolarHBondContact O-CG1 3.37Å; A641-I645 PolarHBondContact O-N 3.35Å
642	F	97.8	Very high	94.6	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-36.3	174.9	-77.3	-65.1	0	0	0	113.2	I529 L607 I614 I618 I625 V638 Q639 M640 I645 A646 V661 Y670	I529-F642 HydrophobicContact CD1-CE2 4.22Å; I529-F642 HydrophobicContact CD1-CZ 4.06Å; L607-F642 HydrophobicContact CD1-CE2 4.35Å; L607-F642 HydrophobicContact CD1-CZ 4.46Å; L607-F642 HydrophobicContact CD2-CZ 4.43Å; I614-F642 HydrophobicContact CG2-CD1 4.33Å; I614-F642 HydrophobicContact CG2-CE1 3.76Å; I618-F642 HydrophobicContact CD1-CD1 3.81Å; I618-F642 HydrophobicContact CD1-CE1 3.65Å; I625-F642 HydrophobicContact CD1-CD1 4.18Å; I625-F642 HydrophobicContact CD1-CE1 3.92Å; I625-F642 HydrophobicContact CD1-CZ 4.1Å; I625-F642 HydrophobicContact CG1-CE1 4.34Å; I625-F642 HydrophobicContact CG1-CZ 4.22Å; I625-F642 HydrophobicContact CG2-CE1 4.45Å; I625-F642 HydrophobicContact CG2-CE2 3.61Å; I625-F642 HydrophobicContact CG2-CZ 3.58Å; V638-F642 HydrophobicContact CG1-CD2 3.89Å; V638-F642 HydrophobicContact CG1-CE2 3.57Å; V638-F642 VanDerWaalsContact O-CD2 3.23Å; V638-F642 WeakPolarHBondContact O-CD2 3.47Å; V638-F642 PolarHBondContact O-N 3.27Å; Q639-F642 PolarHBondContact O-N 3.2Å; Q639-F642 VanDerWaalsContact O-N 3.15Å; M640-F642 VanDerWaalsContact C-N 3.33Å; M640-F642 PolarHBondContact O-N 3.01Å; F642-I645 HydrophobicContact CD1-CD1 4.36Å; F642-I645 PolarHBondContact O-N 3.11Å; F642-A646 WeakPolarHBondContact O-CB 3.32Å; F642-A646 PolarHBondContact O-N 2.98Å; F642-V661 HydrophobicContact CB-CG2 4.27Å; F642-Y670 AromaticContact CD2-CE2 3.63Å; F642-Y670 HydrophobicContact CD2-CE2 3.63Å; F642-Y670 AromaticContact CE2-CE2 3.99Å; F642-Y670 HydrophobicContact CE2-CE2 3.99Å; F642-Y670 HydrophobicContact CG-CE2 4.26Å
643	Y	97.1	Very high	95.3	Very high	20 Å²	20	46.9 Å²	46.9	8%	0.078	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-47.1	172.2	-61.4	-20.5	0	0	0	111.3	Q639 M640 I645 A646 E647 T658 V661	Q639-Y643 HydrophobicContact CG-CE1 3.86Å; Q639-Y643 HydrophobicContact CG-CE2 4.06Å; Q639-Y643 WeakPolarHBondContact CG-OH 3.21Å; Q639-Y643 PolarHBondContact NE2-OH 3.34Å; Q639-Y643 PolarHBondContact O-N 3.13Å; M640-Y643 HydrophobicContact CE-CD2 4.3Å; M640-Y643 WeakPolarHBondContact O-CB 3.19Å; M640-Y643 PolarHBondContact O-N 3.49Å; M640-Y643 HydrophobicContact SD-CD2 3.57Å; M640-Y643 VanDerWaalsContact SD-CD2 3.57Å; M640-Y643 HydrophobicContact SD-CE2 3.86Å; Y643-I645 VanDerWaalsContact C-N 3.32Å; Y643-I645 PolarHBondContact O-N 3.37Å; Y643-A646 PolarHBondContact O-N 3.35Å; Y643-E647 WeakPolarHBondContact O-CG 3.47Å; Y643-E647 PolarHBondContact O-N 3.19Å; Y643-T658 HydrophobicContact CE1-CG2 4.38Å; Y643-T658 HydrophobicContact CE2-CG2 4.46Å; Y643-V661 HydrophobicContact CD1-CB 4Å; Y643-V661 HydrophobicContact CD1-CG1 4.41Å; Y643-V661 HydrophobicContact CD1-CG2 3.75Å; Y643-V661 HydrophobicContact CE1-CB 3.65Å; Y643-V661 HydrophobicContact CE1-CG1 3.83Å; Y643-V661 HydrophobicContact CE1-CG2 3.95Å
644	E	96.9	Very high	95.6	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.229	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-39.4	177.7	-70.7	174.6	-155.6	0	0	112.4	K608 M640 A641 A646 E647 E648	K608-E644 WeakPolarHBondContact CE-OE2 3.3Å; K608-E644 IonicContact NZ-OE1 3.68Å; K608-E644 PolarHBondContact NZ-OE1 3.29Å; K608-E644 IonicContact NZ-OE2 2.98Å; K608-E644 PolarHBondContact NZ-OE2 2.94Å; M640-E644 WeakPolarHBondContact O-CG 3.48Å; M640-E644 PolarHBondContact O-N 2.91Å; A641-E644 PolarHBondContact O-N 3.44Å; E644-A646 VanDerWaalsContact C-N 3.35Å; E644-E647 PolarHBondContact O-N 3.37Å; E644-E648 WeakPolarHBondContact O-CB 3.45Å; E644-E648 PolarHBondContact O-N 3.03Å
645	I	97.3	Very high	95.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-43.8	175.7	-68.5	166.6	0	0	0	110.7	K611 I614 W615 A641 F642 Y643 E648 Y649	K611-I645 HydrophobicContact CB-CG1 3.94Å; K611-I645 HydrophobicContact CB-CG2 4.45Å; K611-I645 HydrophobicContact CD-CG1 4.07Å; K611-I645 HydrophobicContact CG-CD1 4.35Å; K611-I645 HydrophobicContact CG-CG1 3.76Å; I614-I645 HydrophobicContact CB-CD1 4.44Å; I614-I645 HydrophobicContact CD1-CD1 4.21Å; I614-I645 HydrophobicContact CG2-CD1 3.97Å; I614-I645 HydrophobicContact CG2-CG2 4.49Å; W615-I645 HydrophobicContact CB-CG2 3.93Å; W615-I645 HydrophobicContact CE3-CG2 4.14Å; A641-I645 VanDerWaalsContact O-CG1 3.25Å; A641-I645 WeakPolarHBondContact O-CG1 3.37Å; A641-I645 PolarHBondContact O-N 3.35Å; F642-I645 HydrophobicContact CD1-CD1 4.36Å; F642-I645 PolarHBondContact O-N 3.11Å; Y643-I645 VanDerWaalsContact C-N 3.32Å; Y643-I645 PolarHBondContact O-N 3.37Å; I645-E648 PolarHBondContact O-N 2.88Å; I645-Y649 PolarHBondContact O-N 3.03Å
646	A	96.6	Very high	95.9	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	-34.5	179	0	0	0	0	0	113.1	W615 F642 Y643 E644 G650 M652 A657 Y660	W615-A646 HydrophobicContact CE3-CB 4.44Å; W615-A646 HydrophobicContact CH2-CB 4.21Å; W615-A646 VanDerWaalsContact CZ3-CA 3.48Å; W615-A646 HydrophobicContact CZ3-CB 3.62Å; F642-A646 WeakPolarHBondContact O-CB 3.32Å; F642-A646 PolarHBondContact O-N 2.98Å; Y643-A646 PolarHBondContact O-N 3.35Å; E644-A646 VanDerWaalsContact C-N 3.35Å; A646-G650 CarbonylContact O-C 3.41Å; A646-G650 WeakPolarHBondContact O-CA 3.37Å; A646-G650 PolarHBondContact O-N 2.79Å; A646-M652 HydrophobicContact CB-SD 4.47Å; A646-A657 HydrophobicContact CB-CB 3.86Å; A646-Y660 HydrophobicContact CB-CD1 4.48Å
647	E	96.6	Very high	96.2	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-51	172	-71.9	174.4	138.3	0	0	111.2	Y643 E644 S651 M652 R654 A657	Y643-E647 WeakPolarHBondContact O-CG 3.47Å; Y643-E647 PolarHBondContact O-N 3.19Å; E644-E647 PolarHBondContact O-N 3.37Å; E647-S651 WeakPolarHBondContact O-CA 3.43Å; E647-S651 PolarHBondContact O-N 2.99Å; E647-M652 WeakPolarHBondContact CA-O 3.21Å; E647-M652 PolarHBondContact O-N 3.39Å; E647-R654 WeakPolarHBondContact OE1-CA 3.31Å; E647-R654 WeakPolarHBondContact OE1-CB 3.45Å; E647-R654 WeakPolarHBondContact OE1-CD 3.48Å; E647-R654 IonicContact OE1-CZ 3.45Å; E647-R654 PolarHBondContact OE1-N 3.39Å; E647-R654 IonicContact OE1-NE 2.68Å; E647-R654 PolarHBondContact OE1-NE 3.41Å; E647-R654 IonicContact OE1-NH2 3.77Å; E647-R654 PolarHBondContact OE1-NH2 2.96Å; E647-R654 IonicContact OE2-CZ 3.78Å; E647-R654 IonicContact OE2-NE 2.65Å; E647-R654 PolarHBondContact OE2-NE 3.35Å; E647-R654 IonicContact OE2-NH1 3.79Å; E647-R654 PolarHBondContact OE2-NH1 3.3Å; E647-R654 IonicContact OE2-NH2 3.28Å; E647-R654 PolarHBondContact OE2-NH2 3.5Å; E647-A657 HydrophobicContact CG-CB 3.77Å
648	E	96.5	Very high	96.2	Very high	109 Å²	109	48.3 Å²	48.3	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-70.6	-50	-173	-173	174.6	169.6	0	0	112.5	K611 E644 I645	K611-E648 VanDerWaalsContact CD-OE2 3.29Å; K611-E648 WeakPolarHBondContact CD-OE2 3.47Å; K611-E648 IonicContact NZ-OE2 3.24Å; K611-E648 PolarHBondContact NZ-OE2 3.08Å; E644-E648 WeakPolarHBondContact O-CB 3.45Å; E644-E648 PolarHBondContact O-N 3.03Å; I645-E648 PolarHBondContact O-N 2.88Å
649	Y	95.8	Very high	96	Very high	87 Å²	87	52.7 Å²	52.7	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-97.1	-19.5	-174.4	-72.2	-93.1	0	0	0	113.7	K611 E612 W615 I645	K611-Y649 HydrophobicContact CB-CD2 3.97Å; K611-Y649 HydrophobicContact CB-CE2 3.36Å; K611-Y649 HydrophobicContact CD-CE2 4.15Å; K611-Y649 HydrophobicContact CG-CE2 4.39Å; E612-Y649 HydrophobicContact CB-CD1 4.41Å; E612-Y649 HydrophobicContact CB-CE1 3.56Å; E612-Y649 HydrophobicContact CG-CD1 4.42Å; E612-Y649 HydrophobicContact CG-CE1 3.75Å; W615-Y649 HydrophobicContact CB-CG 4.17Å; W615-Y649 VanDerWaalsContact CD1-CB 3.42Å; W615-Y649 HydrophobicContact CG-CG 4.23Å; W615-Y649 PolarHBondContact NE1-O 3.29Å; I645-Y649 PolarHBondContact O-N 3.03Å
650	G	92.9	Very high	96.1	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-89.9	-6.7	173.3	0	0	0	0	0	113.9	A646 M652	A646-G650 CarbonylContact O-C 3.41Å; A646-G650 WeakPolarHBondContact O-CA 3.37Å; A646-G650 PolarHBondContact O-N 2.79Å; G650-M652 WeakPolarHBondContact O-CG 3.39Å; G650-M652 PolarHBondContact O-N 3.4Å
651	S	94	Very high	96.1	Very high	113 Å²	113	49.7 Å²	49.7	79%	0.79	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38	-171.7	-58.1	0	0	0	0	112.2	E647	E647-S651 WeakPolarHBondContact O-CA 3.43Å; E647-S651 PolarHBondContact O-N 2.99Å
652	M	96.1	Very high	95.8	Very high	45 Å²	45	53.3 Å²	53.3	22%	0.222	28%	0.275	C	S	.	.			trans	-98.5	148.4	-176.9	-63.7	-176.4	-174.9	0	0	110.7	W615 A646 E647 G650 Q656 A657 Y660	W615-M652 HydrophobicContact CH2-CE 4Å; A646-M652 HydrophobicContact CB-SD 4.47Å; E647-M652 WeakPolarHBondContact CA-O 3.21Å; E647-M652 PolarHBondContact O-N 3.39Å; G650-M652 WeakPolarHBondContact O-CG 3.39Å; G650-M652 PolarHBondContact O-N 3.4Å; M652-Q656 HydrophobicContact CB-CB 3.9Å; M652-Q656 HydrophobicContact CG-CB 4.33Å; M652-A657 HydrophobicContact CB-CB 4.28Å; M652-Y660 HydrophobicContact CE-CD2 3.76Å; M652-Y660 HydrophobicContact CE-CE2 4.2Å; M652-Y660 HydrophobicContact CE-CG 4.18Å; M652-Y660 HydrophobicContact SD-CD2 4.25Å; M652-Y660 HydrophobicContact SD-CG 4.1Å
653	T	97.3	Very high	95.6	Very high	81 Å²	81	59 Å²	59	50%	0.497	30%	0.3	S	S	.	.			trans	-70	162.5	163	60.5	0	0	0	0	110.9	T655 Q656 A657	T653-T655 PolarHBondContact O-N 3.21Å; T653-Q656 PolarHBondContact O-N 2.98Å; T653-Q656 VanDerWaalsContact O-N 3.08Å; T653-Q656 VanDerWaalsContact OG1-CD 3.28Å; T653-Q656 VanDerWaalsContact OG1-CG 3.3Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.5Å; T653-Q656 PolarHBondContact OG1-N 3.46Å; T653-Q656 PolarHBondContact OG1-OE1 2.96Å; T653-A657 WeakPolarHBondContact O-CB 3.44Å; T653-A657 PolarHBondContact O-N 3.3Å
654	R	95.8	Very high	95.6	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-51	-43.3	176.8	-177.7	59.4	63.6	172.2	2.9	113.1	E647 A657 T658	E647-R654 WeakPolarHBondContact OE1-CA 3.31Å; E647-R654 WeakPolarHBondContact OE1-CB 3.45Å; E647-R654 WeakPolarHBondContact OE1-CD 3.48Å; E647-R654 IonicContact OE1-CZ 3.45Å; E647-R654 PolarHBondContact OE1-N 3.39Å; E647-R654 IonicContact OE1-NE 2.68Å; E647-R654 PolarHBondContact OE1-NE 3.41Å; E647-R654 IonicContact OE1-NH2 3.77Å; E647-R654 PolarHBondContact OE1-NH2 2.96Å; E647-R654 IonicContact OE2-CZ 3.78Å; E647-R654 IonicContact OE2-NE 2.65Å; E647-R654 PolarHBondContact OE2-NE 3.35Å; E647-R654 IonicContact OE2-NH1 3.79Å; E647-R654 PolarHBondContact OE2-NH1 3.3Å; E647-R654 IonicContact OE2-NH2 3.28Å; E647-R654 PolarHBondContact OE2-NH2 3.5Å; R654-A657 PolarHBondContact O-N 3.36Å; R654-T658 WeakPolarHBondContact O-CB 3.36Å; R654-T658 PolarHBondContact O-N 3.48Å; R654-T658 PolarHBondContact O-OG1 2.81Å
655	T	95.6	Very high	95.3	Very high	96 Å²	96	57.8 Å²	57.8	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-64.5	-48.4	178.9	-51.7	0	0	0	0	110.9	T653 A657 T658 D659	T653-T655 PolarHBondContact O-N 3.21Å; T655-A657 VanDerWaalsContact C-N 3.33Å; T655-A657 PolarHBondContact O-N 3.28Å; T655-T658 WeakPolarHBondContact O-CB 3.34Å; T655-T658 PolarHBondContact O-N 3.41Å; T655-D659 PolarHBondContact O-N 3.44Å
656	Q	97.1	Very high	94.9	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-38.8	177.7	-72.1	166.9	-37.9	0	0	112.6	M652 T653 D659 Y660	M652-Q656 HydrophobicContact CB-CB 3.9Å; M652-Q656 HydrophobicContact CG-CB 4.33Å; T653-Q656 PolarHBondContact O-N 2.98Å; T653-Q656 VanDerWaalsContact O-N 3.08Å; T653-Q656 VanDerWaalsContact OG1-CD 3.28Å; T653-Q656 VanDerWaalsContact OG1-CG 3.3Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.5Å; T653-Q656 PolarHBondContact OG1-N 3.46Å; T653-Q656 PolarHBondContact OG1-OE1 2.96Å; Q656-D659 PolarHBondContact O-N 3.38Å; Q656-Y660 VanDerWaalsContact O-CB 3.24Å; Q656-Y660 WeakPolarHBondContact O-CB 3.42Å; Q656-Y660 PolarHBondContact O-N 2.57Å
657	A	96.8	Very high	94.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-40.5	175.5	0	0	0	0	0	111.9	A646 E647 M652 T653 R654 T655 Y660 V661	A646-A657 HydrophobicContact CB-CB 3.86Å; E647-A657 HydrophobicContact CG-CB 3.77Å; M652-A657 HydrophobicContact CB-CB 4.28Å; T653-A657 WeakPolarHBondContact O-CB 3.44Å; T653-A657 PolarHBondContact O-N 3.3Å; R654-A657 PolarHBondContact O-N 3.36Å; T655-A657 VanDerWaalsContact C-N 3.33Å; T655-A657 PolarHBondContact O-N 3.28Å; A657-Y660 PolarHBondContact O-N 2.91Å; A657-V661 PolarHBondContact O-N 3.42Å; A657-V661 VanDerWaalsContact O-N 3.09Å
658	T	94.4	Very high	94.6	Very high	30 Å²	30	69.5 Å²	69.5	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-51.1	174.5	-57.5	0	0	0	0	110.4	Y643 R654 T655 Y660 V661 K662	Y643-T658 HydrophobicContact CE1-CG2 4.38Å; Y643-T658 HydrophobicContact CE2-CG2 4.46Å; R654-T658 WeakPolarHBondContact O-CB 3.36Å; R654-T658 PolarHBondContact O-N 3.48Å; R654-T658 PolarHBondContact O-OG1 2.81Å; T655-T658 WeakPolarHBondContact O-CB 3.34Å; T655-T658 PolarHBondContact O-N 3.41Å; T658-Y660 VanDerWaalsContact C-N 3.28Å; T658-Y660 PolarHBondContact O-N 2.98Å; T658-V661 PolarHBondContact O-N 3.43Å; T658-K662 HydrophobicContact CG2-CD 4.38Å; T658-K662 WeakPolarHBondContact O-CG 3.5Å; T658-K662 PolarHBondContact O-N 2.9Å
659	D	94.2	Very high	94.6	Very high	92 Å²	92	65.8 Å²	65.8	49%	0.492	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-36.3	178.2	-66.9	-21	0	0	0	112.1	T655 Q656 K662 K663	T655-D659 PolarHBondContact O-N 3.44Å; Q656-D659 PolarHBondContact O-N 3.38Å; D659-K662 PolarHBondContact O-N 2.94Å; D659-K663 VanDerWaalsContact O-CB 3.27Å; D659-K663 WeakPolarHBondContact O-CB 3.36Å; D659-K663 PolarHBondContact O-N 3.09Å
660	Y	96.6	Very high	94.7	Very high	44 Å²	44	62 Å²	62	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-48.4	176.1	-179.8	-93.7	0	0	0	111.6	W615 I618 H619 A646 M652 Q656 A657 T658 K663 L664	W615-Y660 HydrophobicContact CH2-CE1 4.13Å; W615-Y660 HydrophobicContact CZ3-CD1 4.44Å; W615-Y660 AromaticContact CZ3-CE1 3.9Å; W615-Y660 HydrophobicContact CZ3-CE1 3.9Å; I618-Y660 HydrophobicContact CG2-CE1 4.14Å; H619-Y660 PolarHBondContact ND1-OH 3.25Å; A646-Y660 HydrophobicContact CB-CD1 4.48Å; M652-Y660 HydrophobicContact CE-CD2 3.76Å; M652-Y660 HydrophobicContact CE-CE2 4.2Å; M652-Y660 HydrophobicContact CE-CG 4.18Å; M652-Y660 HydrophobicContact SD-CD2 4.25Å; M652-Y660 HydrophobicContact SD-CG 4.1Å; Q656-Y660 VanDerWaalsContact O-CB 3.24Å; Q656-Y660 WeakPolarHBondContact O-CB 3.42Å; Q656-Y660 PolarHBondContact O-N 2.57Å; A657-Y660 PolarHBondContact O-N 2.91Å; T658-Y660 VanDerWaalsContact C-N 3.28Å; T658-Y660 PolarHBondContact O-N 2.98Å; Y660-K663 WeakPolarHBondContact O-CB 3.22Å; Y660-K663 PolarHBondContact O-N 3.06Å; Y660-L664 HydrophobicContact CD1-CD1 4.23Å; Y660-L664 HydrophobicContact CE1-CD1 3.81Å; Y660-L664 HydrophobicContact CE1-CG 4.26Å; Y660-L664 PolarHBondContact O-N 3.15Å; Y660-L664 VanDerWaalsContact O-N 3.09Å
661	V	95.2	Very high	94.7	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-40.3	178.8	170	0	0	0	0	111.4	F642 Y643 A657 T658 K663 L664 M665 Y670	F642-V661 HydrophobicContact CB-CG2 4.27Å; Y643-V661 HydrophobicContact CD1-CB 4Å; Y643-V661 HydrophobicContact CD1-CG1 4.41Å; Y643-V661 HydrophobicContact CD1-CG2 3.75Å; Y643-V661 HydrophobicContact CE1-CB 3.65Å; Y643-V661 HydrophobicContact CE1-CG1 3.83Å; Y643-V661 HydrophobicContact CE1-CG2 3.95Å; A657-V661 PolarHBondContact O-N 3.42Å; A657-V661 VanDerWaalsContact O-N 3.09Å; T658-V661 PolarHBondContact O-N 3.43Å; V661-K663 PolarHBondContact O-N 2.89Å; V661-L664 WeakPolarHBondContact O-CA 3.33Å; V661-L664 VanDerWaalsContact O-CB 3.29Å; V661-L664 WeakPolarHBondContact O-CB 3.33Å; V661-L664 PolarHBondContact O-N 3.21Å; V661-M665 HydrophobicContact CG1-CE 4.29Å; V661-M665 PolarHBondContact O-N 3.13Å; V661-Y670 HydrophobicContact CG1-CD2 3.92Å; V661-Y670 HydrophobicContact CG1-CE2 4.03Å
662	K	91.1	Very high	94.7	Very high	76 Å²	76	58.6 Å²	58.6	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-41.8	171.7	-73.1	-174.7	-180	-136.6	0	111.6	E180 T658 D659 L664 M665 T666	E180-K662 WeakPolarHBondContact OE1-CE 3.49Å; E180-K662 IonicContact OE1-NZ 2.8Å; E180-K662 PolarHBondContact OE1-NZ 2.93Å; T658-K662 HydrophobicContact CG2-CD 4.38Å; T658-K662 WeakPolarHBondContact O-CG 3.5Å; T658-K662 PolarHBondContact O-N 2.9Å; D659-K662 PolarHBondContact O-N 2.94Å; K662-L664 VanDerWaalsContact C-N 3.26Å; K662-L664 PolarHBondContact O-N 2.71Å; K662-M665 WeakPolarHBondContact O-CA 3.17Å; K662-M665 WeakPolarHBondContact O-CB 3.46Å; K662-M665 PolarHBondContact O-N 2.99Å; K662-T666 PolarHBondContact O-N 3.24Å; K662-T666 PolarHBondContact O-OG1 2.93Å; K662-T666 VanDerWaalsContact O-OG1 3.07Å
663	K	94.8	Very high	94.5	Very high	125 Å²	125	57.1 Å²	57.1	54%	0.543	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-30.3	174.3	-172.2	176.2	-173.4	172.4	0	112.8	D659 Y660 V661 K667	D659-K663 VanDerWaalsContact O-CB 3.27Å; D659-K663 WeakPolarHBondContact O-CB 3.36Å; D659-K663 PolarHBondContact O-N 3.09Å; Y660-K663 WeakPolarHBondContact O-CB 3.22Å; Y660-K663 PolarHBondContact O-N 3.06Å; V661-K663 PolarHBondContact O-N 2.89Å; K663-K667 HydrophobicContact CG-CD 4.36Å; K663-K667 WeakPolarHBondContact O-CB 3.26Å; K663-K667 WeakPolarHBondContact O-CG 3.22Å; K663-K667 PolarHBondContact O-N 3.24Å
664	L	96.1	Very high	94.2	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-40.5	171	-64.3	175.4	0	0	0	111.3	I618 I625 Y660 V661 K662 K667 G668 R669 Y670	I618-L664 HydrophobicContact CG2-CD1 3.71Å; I625-L664 HydrophobicContact CD1-CD1 4.17Å; Y660-L664 HydrophobicContact CD1-CD1 4.23Å; Y660-L664 HydrophobicContact CE1-CD1 3.81Å; Y660-L664 HydrophobicContact CE1-CG 4.26Å; Y660-L664 PolarHBondContact O-N 3.15Å; Y660-L664 VanDerWaalsContact O-N 3.09Å; V661-L664 WeakPolarHBondContact O-CA 3.33Å; V661-L664 VanDerWaalsContact O-CB 3.29Å; V661-L664 WeakPolarHBondContact O-CB 3.33Å; V661-L664 PolarHBondContact O-N 3.21Å; K662-L664 VanDerWaalsContact C-N 3.26Å; K662-L664 PolarHBondContact O-N 2.71Å; L664-K667 CarbonylContact O-C 3.6Å; L664-K667 PolarHBondContact O-N 3.46Å; L664-G668 PolarHBondContact O-N 3.21Å; L664-R669 HydrophobicContact CB-CB 4.31Å; L664-R669 HydrophobicContact CD2-CB 4.14Å; L664-R669 WeakPolarHBondContact O-CA 3.49Å; L664-R669 PolarHBondContact O-N 3.42Å; L664-Y670 PolarHBondContact O-N 3.07Å
665	M	91.5	Very high	93.7	Very high	37 Å²	37	54 Å²	54	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-51.7	175.8	-64	167	160.8	0	0	110.9	V661 K662 K667 G668 Y670	V661-M665 HydrophobicContact CG1-CE 4.29Å; V661-M665 PolarHBondContact O-N 3.13Å; K662-M665 WeakPolarHBondContact O-CA 3.17Å; K662-M665 WeakPolarHBondContact O-CB 3.46Å; K662-M665 PolarHBondContact O-N 2.99Å; M665-K667 PolarHBondContact O-N 3.24Å; M665-K667 VanDerWaalsContact O-N 3.11Å; M665-G668 PolarHBondContact O-N 3.42Å; M665-Y670 WeakPolarHBondContact CA-O 3.48Å; M665-Y670 HydrophobicContact CE-CD1 3.54Å; M665-Y670 HydrophobicContact CE-CE1 3.54Å; M665-Y670 HydrophobicContact CE-CE2 4.5Å; M665-Y670 HydrophobicContact CE-CG 4.09Å; M665-Y670 HydrophobicContact CG-CD1 3.88Å; M665-Y670 HydrophobicContact CG-CG 3.91Å
666	T	89	Confident	92.8	Very high	129 Å²	129	54.4 Å²	54.4	79%	0.791	28%	0.283	S	S	*	.	H	α-helix	trans	-58.5	-29.1	176.5	-45.5	0	0	0	0	112.8	K662 G668	K662-T666 PolarHBondContact O-N 3.24Å; K662-T666 PolarHBondContact O-OG1 2.93Å; K662-T666 VanDerWaalsContact O-OG1 3.07Å; T666-G668 VanDerWaalsContact C-N 3.34Å
667	K	92.9	Very high	92.6	Very high	131 Å²	131	52 Å²	52	57%	0.57	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.8	176.8	-73.6	-178.7	174.7	-165.4	0	114.1	K663 L664 M665 R669	K663-K667 HydrophobicContact CG-CD 4.36Å; K663-K667 WeakPolarHBondContact O-CB 3.26Å; K663-K667 WeakPolarHBondContact O-CG 3.22Å; K663-K667 PolarHBondContact O-N 3.24Å; L664-K667 CarbonylContact O-C 3.6Å; L664-K667 PolarHBondContact O-N 3.46Å; M665-K667 PolarHBondContact O-N 3.24Å; M665-K667 VanDerWaalsContact O-N 3.11Å; K667-R669 HydrophobicContact CB-CG 4.46Å; K667-R669 PolarHBondContact O-N 3.15Å
668	G	92.5	Very high	92.4	Very high	37 Å²	37	54.7 Å²	54.7	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	23.3	-176.3	0	0	0	0	0	113.9	H624 L664 M665 T666	H624-G668 PolarHBondContact ND1-O 3.44Å; H624-G668 VanDerWaalsContact ND1-O 3.1Å; L664-G668 PolarHBondContact O-N 3.21Å; M665-G668 PolarHBondContact O-N 3.42Å; T666-G668 VanDerWaalsContact C-N 3.34Å
669	R	96.8	Very high	92.3	Very high	31 Å²	31	56.1 Å²	56.1	12%	0.117	29%	0.293	C	S	.	.	S	Bend	trans	-102.9	-5.8	177.9	-71.1	-171.4	58.5	-150.1	-22.1	113.2	I618 N622 A623 H624 I625 L664 K667	I618-R669 PolarHBondContact O-NH2 3.47Å; N622-R669 VanDerWaalsContact CA-CZ 3.48Å; N622-R669 VanDerWaalsContact CA-NH2 3.28Å; N622-R669 PolarHBondContact O-NE 2.85Å; N622-R669 PolarHBondContact OD1-NH1 2.85Å; A623-R669 PolarHBondContact O-NE 3.06Å; A623-R669 VanDerWaalsContact O-NE 3.12Å; A623-R669 PolarHBondContact O-NH2 2.9Å; H624-R669 CarbonylContact C-O 3.5Å; H624-R669 WeakPolarHBondContact CA-O 3.17Å; I625-R669 PolarHBondContact N-O 2.99Å; L664-R669 HydrophobicContact CB-CB 4.31Å; L664-R669 HydrophobicContact CD2-CB 4.14Å; L664-R669 WeakPolarHBondContact O-CA 3.49Å; L664-R669 PolarHBondContact O-N 3.42Å; K667-R669 HydrophobicContact CB-CG 4.46Å; K667-R669 PolarHBondContact O-N 3.15Å
670	Y	97.1	Very high	92.2	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	114.1	166.8	-171.2	-56.8	0	0	0	106.4	I625 V627 F642 V661 L664 M665 Q672	I625-Y670 HydrophobicContact CB-CD2 3.96Å; I625-Y670 HydrophobicContact CB-CE2 4.5Å; I625-Y670 HydrophobicContact CB-CG 4.21Å; I625-Y670 HydrophobicContact CD1-CD2 3.68Å; I625-Y670 HydrophobicContact CD1-CE2 4.29Å; I625-Y670 HydrophobicContact CG1-CD2 4.47Å; I625-Y670 HydrophobicContact CG2-CD2 3.82Å; I625-Y670 HydrophobicContact CG2-CE2 3.85Å; I625-Y670 HydrophobicContact CG2-CG 4.26Å; I625-Y670 CarbonylContact O-C 3.59Å; I625-Y670 WeakPolarHBondContact O-CA 3.45Å; V627-Y670 HydrophobicContact CG2-CE1 3.95Å; V627-Y670 WeakPolarHBondContact CG2-OH 3.2Å; F642-Y670 AromaticContact CD2-CE2 3.63Å; F642-Y670 HydrophobicContact CD2-CE2 3.63Å; F642-Y670 AromaticContact CE2-CE2 3.99Å; F642-Y670 HydrophobicContact CE2-CE2 3.99Å; F642-Y670 HydrophobicContact CG-CE2 4.26Å; V661-Y670 HydrophobicContact CG1-CD2 3.92Å; V661-Y670 HydrophobicContact CG1-CE2 4.03Å; L664-Y670 PolarHBondContact O-N 3.07Å; M665-Y670 WeakPolarHBondContact CA-O 3.48Å; M665-Y670 HydrophobicContact CE-CD1 3.54Å; M665-Y670 HydrophobicContact CE-CE1 3.54Å; M665-Y670 HydrophobicContact CE-CE2 4.5Å; M665-Y670 HydrophobicContact CE-CG 4.09Å; M665-Y670 HydrophobicContact CG-CD1 3.88Å; M665-Y670 HydrophobicContact CG-CG 3.91Å; Y670-Q672 HydrophobicContact CD1-CG 4.12Å; Y670-Q672 HydrophobicContact CE1-CG 3.63Å
671	S	94.8	Very high	91.9	Very high	20 Å²	20	54.6 Å²	54.6	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.9	-177.6	-58.4	0	0	0	0	110.6	I625 Y626 V627	I625-S671 PolarHBondContact O-N 2.91Å; Y626-S671 WeakPolarHBondContact CA-O 3.48Å; V627-S671 PolarHBondContact N-O 3.23Å
672	Q	92.8	Very high	91.7	Very high	44 Å²	44	57.9 Å²	57.9	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.4	178.7	-62.7	-171.9	-33.5	0	0	110.1	V627 Y670 V674	V627-Q672 HydrophobicContact CB-CG 4.34Å; V627-Q672 CarbonylContact O-C 3.59Å; V627-Q672 WeakPolarHBondContact O-CA 3.09Å; Y670-Q672 HydrophobicContact CD1-CG 4.12Å; Y670-Q672 HydrophobicContact CE1-CG 3.63Å; Q672-V674 HydrophobicContact CB-CG1 4.28Å; Q672-V674 HydrophobicContact CB-CG2 4.49Å
673	D	92.5	Very high	91.7	Very high	14 Å²	14	56.6 Å²	56.6	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	80.4	167.5	-179.8	28.4	0	0	0	107.2	H320 S458 F516 V627 C628 G629 W675	H320-D673 IonicContact CD2-OD1 3.45Å; H320-D673 IonicContact CE1-OD1 3.39Å; H320-D673 IonicContact NE2-OD1 2.95Å; H320-D673 PolarHBondContact NE2-OD1 2.86Å; H320-D673 IonicContact NE2-OD2 3Å; H320-D673 PolarHBondContact NE2-OD2 3.5Å; S458-D673 WeakPolarHBondContact CB-OD2 3.33Å; S458-D673 PolarHBondContact OG-OD2 3.24Å; F516-D673 HydrophobicContact CD1-CB 4.41Å; F516-D673 HydrophobicContact CD2-CB 3.7Å; F516-D673 HydrophobicContact CE1-CB 4.45Å; F516-D673 HydrophobicContact CE2-CB 3.74Å; F516-D673 HydrophobicContact CG-CB 4.02Å; F516-D673 HydrophobicContact CZ-CB 4.09Å; V627-D673 PolarHBondContact O-N 2.91Å; C628-D673 WeakPolarHBondContact CA-O 3.17Å; C628-D673 HydrophobicContact CB-CB 4.47Å; C628-D673 PolarHBondContact SG-O 3.43Å; G629-D673 PolarHBondContact N-O 2.61Å; D673-W675 WeakPolarHBondContact O-CZ3 3.3Å
674	V	89.8	Confident	91.5	Very high	23 Å²	23	51.4 Å²	51.4	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.6	-169.4	-62	0	0	0	0	111	G629 A631 A635 Q672	G629-V674 VanDerWaalsContact O-CA 3.27Å; G629-V674 WeakPolarHBondContact O-CA 3.44Å; A631-V674 HydrophobicContact CB-CB 3.74Å; A631-V674 HydrophobicContact CB-CG2 3.67Å; A635-V674 HydrophobicContact CB-CG1 3.95Å; Q672-V674 HydrophobicContact CB-CG1 4.28Å; Q672-V674 HydrophobicContact CB-CG2 4.49Å
675	W	86.4	Confident	91.1	Very high	84 Å²	84	55 Å²	55	32%	0.318	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	173.9	-177	60.2	86.1	0	0	0	111.6	S458 C628 G629 A631 D673	S458-W675 WeakPolarHBondContact OG-CZ3 3.5Å; C628-W675 WeakPolarHBondContact SG-CH2 3.45Å; C628-W675 WeakPolarHBondContact SG-CZ3 3.41Å; G629-W675 PolarHBondContact O-N 2.65Å; A631-W675 PolarHBondContact N-O 3.39Å; D673-W675 WeakPolarHBondContact O-CZ3 3.3Å
676	S	77.3	Confident	91.1	Very high	104 Å²	104	56.6 Å²	56.6	73%	0.727	32%	0.317	S	S	*	.			trans	-128.5	0	176.7	61.9	0	0	0	0	113.1

Retrieved 676 of 676 residues in 760.5 ms (Link to these results)

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