A0A087XYP7_POEFO Loading...

Kelch repeat and BTB (POZ) domain containing 8

AlphaFold DB , UniProt , Accession A0A087XYP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	32.6	Very low	248 Å²	248	146.9 Å²	146.9	100%	1.222	89%	0.89	S	S	*	*				0	136.2	0	-100.7	-166.7	-89.8	0	0	108.3
2	A	31	Very low	32.7	Very low	105 Å²	105	151.6 Å²	151.6	87%	0.868	90%	0.895	S	S	*	*			trans	74.7	94.7	176.5	0	0	0	0	0	117.6
3	A	25.9	Very low	33	Very low	106 Å²	106	149.5 Å²	149.5	88%	0.876	88%	0.884	S	S	*	*				171.9	65.9	127	0	0	0	0	0	110.7
4	S	31.1	Very low	33.1	Very low	130 Å²	130	152.1 Å²	152.1	91%	0.909	88%	0.883	S	S	*	*			trans	-108.8	82	162.3	56.6	0	0	0	0	107
5	G	33	Very low	33.4	Very low	67 Å²	67	153.5 Å²	153.5	69%	0.691	89%	0.886	S	S	*	*			trans	-126.9	132.8	177.8	0	0	0	0	0	109.4
6	E	35.6	Very low	33.9	Very low	193 Å²	193	148 Å²	148	90%	0.902	87%	0.873	S	S	*	*			trans	83.2	71.3	165.8	-55.4	-165.9	143.8	0	0	118.6
7	V	33.5	Very low	34.3	Very low	161 Å²	161	147.6 Å²	147.6	98%	0.976	87%	0.872	S	S	*	*			trans	-136.2	92.1	137.2	-171.4	0	0	0	0	107.8
8	G	33.3	Very low	35	Very low	70 Å²	70	145.7 Å²	145.7	72%	0.722	87%	0.865	S	S	*	*			trans	-178.6	69.8	-177.6	0	0	0	0	0	112.5
9	K	33.3	Very low	35.5	Very low	201 Å²	201	144.3 Å²	144.3	87%	0.874	86%	0.86	S	S	*	*			trans	-162.4	105.2	161.1	-107.3	170.6	-168	177.4	0	109.4
10	L	31.2	Very low	36.2	Very low	172 Å²	172	141.6 Å²	141.6	90%	0.901	85%	0.854	S	S	*	*			trans	172.9	107.6	141.2	-94	154.9	0	0	0	106.8
11	L	33.7	Very low	37.1	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	85%	0.853	S	S	*	*			trans	177.4	87.6	149.4	-92.4	163.1	0	0	0	106.6
12	Q	33.2	Very low	38.1	Very low	203 Å²	203	136 Å²	136	95%	0.949	83%	0.83	S	S	*	*			trans	-77.6	122	159.7	-81.5	-177.9	-10	0	0	107.2
13	V	37.4	Very low	39.5	Very low	124 Å²	124	141.6 Å²	141.6	75%	0.752	83%	0.83	S	S	*	*			trans	-118.7	126.1	168.9	179.7	0	0	0	0	108.4
14	Q	34.5	Very low	41.2	Very low	187 Å²	187	143.4 Å²	143.4	87%	0.874	83%	0.825	S	S	*	*			trans	-66.4	144.1	173.5	-72.2	174	-15.8	0	0	110.9
15	N	37.2	Very low	43	Very low	172 Å²	172	139.8 Å²	139.8	92%	0.92	81%	0.808	S	S	*	*			trans	-61.9	141.3	179.4	-76.4	-29.3	0	0	0	113.5
16	G	41.9	Very low	45	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	81%	0.812	S	S	*	*			trans	130.9	73.9	140.9	0	0	0	0	0	117.3
17	T	40.7	Very low	47.2	Very low	141 Å²	141	138.4 Å²	138.4	87%	0.865	80%	0.796	S	S	*	*	S	Bend	trans	-175.7	155.6	145.2	14.2	0	0	0	0	109.7
18	P	46.8	Very low	49.5	Very low	114 Å²	114	135 Å²	135	74%	0.74	78%	0.784	S	S	*	*			trans	-69.1	148.7	-153.1	28.5	-34.9	0	0	0	113.8	A20	P18-A20 PolarHBondContact O-N 3.2Å
19	P	45	Very low	52.2	Low	119 Å²	119	135.4 Å²	135.4	77%	0.773	77%	0.772	S	S	*	*			trans	-76.9	115.5	-175.1	30.6	-30.8	0	0	0	110	T21	P19-T21 PolarHBondContact O-N 3.46Å
20	A	48.5	Very low	54.8	Low	90 Å²	90	131.2 Å²	131.2	74%	0.744	76%	0.756	S	S	*	*			trans	-58.4	120.3	155.6	0	0	0	0	0	107.8	P18 N22	P18-A20 PolarHBondContact O-N 3.2Å; A20-N22 PolarHBondContact O-N 3.38Å
21	T	55.9	Low	57.5	Low	134 Å²	134	126.5 Å²	126.5	82%	0.822	74%	0.742	S	S	*	*	S	Bend	trans	-72.3	64.9	-179.6	43.7	0	0	0	0	111.8	P19	P19-T21 PolarHBondContact O-N 3.46Å
22	N	58.3	Low	60	Low	137 Å²	137	122.2 Å²	122.2	73%	0.733	72%	0.724	S	S	*	*			trans	-128.4	106.6	166.7	-79.1	-17.4	0	0	0	108.7	A20 N24	A20-N22 PolarHBondContact O-N 3.38Å; N22-N24 PolarHBondContact O-N 3.09Å
23	Y	58.9	Low	62.7	Low	223 Å²	223	116.1 Å²	116.1	88%	0.875	70%	0.698	S	S	*	*			trans	-82.5	100.7	170.7	-174.6	-95.2	0	0	0	108.6	G25	Y23-G25 PolarHBondContact O-N 2.71Å
24	N	61.6	Low	65.3	Low	145 Å²	145	113.2 Å²	113.2	78%	0.775	68%	0.68	S	S	*	*			trans	-85.4	83.2	172.9	-76.4	-7.8	0	0	0	109.4	N22 V26	N22-N24 PolarHBondContact O-N 3.09Å; N24-V26 PolarHBondContact O-N 3.08Å
25	G	68.9	Low	68	Low	53 Å²	53	106.3 Å²	106.3	55%	0.546	65%	0.65	S	S	.	*			trans	-75.7	113.8	171.5	0	0	0	0	0	110.6	Y23	Y23-G25 PolarHBondContact O-N 2.71Å
26	V	76.4	Confident	70.6	Confident	130 Å²	130	104 Å²	104	79%	0.788	63%	0.633	S	S	*	*			trans	-96.7	112.4	173.1	-177	0	0	0	0	108.3	N24 A28	N24-V26 PolarHBondContact O-N 3.08Å; V26-A28 PolarHBondContact O-N 3.12Å
27	D	82.1	Confident	72.9	Confident	102 Å²	102	106.9 Å²	106.9	55%	0.545	63%	0.629	S	S	.	*			trans	-77	100.6	169.7	-179.2	-0.8	0	0	0	109.3	V29 H30	D27-V29 PolarHBondContact O-N 3.43Å; D27-V29 PolarHBondContact OD1-N 2.93Å; D27-H30 HydrophobicContact CB-CB 4.08Å; D27-H30 PolarHBondContact O-N 3.23Å; D27-H30 PolarHBondContact OD1-N 3.35Å
28	A	81.1	Confident	75.4	Confident	88 Å²	88	102.1 Å²	102.1	73%	0.727	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-17.3	-178.6	0	0	0	0	0	113.8	V26	V26-A28 PolarHBondContact O-N 3.12Å
29	V	89.6	Confident	77.6	Confident	80 Å²	80	98.6 Å²	98.6	49%	0.485	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-16.4	-174.9	-166.6	0	0	0	0	111.9	D27 A31 C32 N33	D27-V29 PolarHBondContact O-N 3.43Å; D27-V29 PolarHBondContact OD1-N 2.93Å; V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 2.99Å; V29-C32 PolarHBondContact O-N 3.07Å; V29-C32 VanDerWaalsContact O-N 3.12Å; V29-N33 PolarHBondContact O-N 2.89Å
30	H	89.1	Confident	79.8	Confident	113 Å²	113	94.7 Å²	94.7	52%	0.523	55%	0.549	S	S	.	.	H	α-helix	trans	-52.1	-47.3	-178.2	-175.5	66.5	0	0	0	113.1	D27 C32 N33 V34	D27-H30 HydrophobicContact CB-CB 4.08Å; D27-H30 PolarHBondContact O-N 3.23Å; D27-H30 PolarHBondContact OD1-N 3.35Å; H30-C32 PolarHBondContact O-N 3.24Å; H30-N33 PolarHBondContact O-N 2.86Å; H30-V34 WeakPolarHBondContact O-CG2 3.33Å; H30-V34 PolarHBondContact O-N 2.86Å
31	A	86.3	Confident	82	Confident	73 Å²	73	92.6 Å²	92.6	60%	0.603	53%	0.525	S	S	*	.	H	α-helix	trans	-61.7	-41.1	-179.5	0	0	0	0	0	112.7	V29 V34 L35	V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 2.99Å; A31-V34 PolarHBondContact O-N 2.81Å; A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 PolarHBondContact O-N 3.34Å
32	C	87.2	Confident	83.7	Confident	73 Å²	73	88 Å²	88	49%	0.493	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-41.5	176.4	-66.7	0	0	0	0	111.6	V29 H30 L35 Q36	V29-C32 PolarHBondContact O-N 3.07Å; V29-C32 VanDerWaalsContact O-N 3.12Å; H30-C32 PolarHBondContact O-N 3.24Å; C32-L35 PolarHBondContact O-N 3.15Å; C32-Q36 VanDerWaalsContact O-CG 3.32Å; C32-Q36 WeakPolarHBondContact O-CG 3.31Å; C32-Q36 PolarHBondContact O-N 2.64Å
33	N	89.5	Confident	85.3	Confident	74 Å²	74	86.3 Å²	86.3	40%	0.396	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-44	177.6	-70.4	-19.6	0	0	0	111.4	V29 H30 L35 Q36 Q37	V29-N33 PolarHBondContact O-N 2.89Å; H30-N33 PolarHBondContact O-N 2.86Å; N33-L35 VanDerWaalsContact C-N 3.35Å; N33-L35 PolarHBondContact O-N 2.83Å; N33-Q36 PolarHBondContact O-N 2.96Å; N33-Q37 WeakPolarHBondContact O-CG 3.45Å; N33-Q37 PolarHBondContact O-N 3.24Å
34	V	91.5	Very high	86.9	Confident	63 Å²	63	81.7 Å²	81.7	38%	0.382	47%	0.47	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176.7	171.3	0	0	0	0	110.8	H30 A31 Q36 Q37 L38	H30-V34 WeakPolarHBondContact O-CG2 3.33Å; H30-V34 PolarHBondContact O-N 2.86Å; A31-V34 PolarHBondContact O-N 2.81Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 2.84Å; V34-Q37 PolarHBondContact O-N 3.43Å; V34-L38 HydrophobicContact CG1-CD1 4.07Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.49Å
35	L	91.7	Very high	88.2	Confident	43 Å²	43	77.7 Å²	77.7	23%	0.225	46%	0.457	C	S	.	.	H	α-helix	trans	-63.3	-40.3	179.2	-171.3	64.9	0	0	0	112.1	A31 C32 N33 Q37 L38 K39 Y108 S110	A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 PolarHBondContact O-N 3.34Å; C32-L35 PolarHBondContact O-N 3.15Å; N33-L35 VanDerWaalsContact C-N 3.35Å; N33-L35 PolarHBondContact O-N 2.83Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 3.06Å; L35-L38 PolarHBondContact O-N 2.84Å; L35-K39 PolarHBondContact O-N 3.12Å; L35-Y108 VanDerWaalsContact CG-O 3.3Å; L35-Y108 WeakPolarHBondContact CG-O 3.32Å; L35-S110 WeakPolarHBondContact CD2-OG 3.48Å
36	Q	91.2	Very high	89.3	Confident	122 Å²	122	79.4 Å²	79.4	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-61.6	-40.8	174.2	-75.9	175	-2.3	0	0	112.6	C32 N33 V34 K39 A40	C32-Q36 VanDerWaalsContact O-CG 3.32Å; C32-Q36 WeakPolarHBondContact O-CG 3.31Å; C32-Q36 PolarHBondContact O-N 2.64Å; N33-Q36 PolarHBondContact O-N 2.96Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 2.84Å; Q36-K39 PolarHBondContact O-N 2.93Å; Q36-A40 PolarHBondContact O-N 3.29Å
37	Q	91.9	Very high	90	Very high	127 Å²	127	79.9 Å²	79.9	59%	0.593	45%	0.448	S	S	*	.	H	α-helix	trans	-67.1	-39.7	175.6	-64.6	-56	-48.4	0	0	111.6	N33 V34 L35 K39 A40 L41	N33-Q37 WeakPolarHBondContact O-CG 3.45Å; N33-Q37 PolarHBondContact O-N 3.24Å; V34-Q37 PolarHBondContact O-N 3.43Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 3.06Å; Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.85Å; Q37-A40 PolarHBondContact O-N 3.43Å; Q37-L41 WeakPolarHBondContact O-CG 3.22Å; Q37-L41 PolarHBondContact O-N 3.48Å
38	L	92.4	Very high	90.3	Very high	41 Å²	41	76.2 Å²	76.2	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-36.5	174.3	-70.5	170.7	0	0	0	112.2	V34 L35 L41 Y42 V66 Y108	V34-L38 HydrophobicContact CG1-CD1 4.07Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 2.84Å; L38-L41 HydrophobicContact CD2-CD1 4.48Å; L38-L41 PolarHBondContact O-N 3.46Å; L38-Y42 WeakPolarHBondContact O-CB 3.46Å; L38-Y42 PolarHBondContact O-N 2.73Å; L38-V66 HydrophobicContact CD1-CG2 4.15Å; L38-Y108 HydrophobicContact CB-CD1 4.19Å; L38-Y108 HydrophobicContact CB-CE1 4.43Å
39	K	92.2	Very high	90.8	Very high	41 Å²	41	75.2 Å²	75.2	18%	0.178	41%	0.412	C	S	.	.	H	α-helix	trans	-63.7	-44.3	172.7	-177.1	67.7	172.1	71.8	0	111.8	L35 Q36 Q37 L41 Y42 D43 Y108 T109	L35-K39 PolarHBondContact O-N 3.12Å; Q36-K39 PolarHBondContact O-N 2.93Å; Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.85Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 PolarHBondContact O-N 3.43Å; K39-Y42 HydrophobicContact CD-CD1 4.39Å; K39-Y42 WeakPolarHBondContact O-CB 3.43Å; K39-Y42 PolarHBondContact O-N 3.04Å; K39-D43 IonicContact NZ-OD1 3.67Å; K39-D43 PolarHBondContact NZ-OD1 3.18Å; K39-D43 IonicContact NZ-OD2 2.85Å; K39-D43 PolarHBondContact NZ-OD2 3.01Å; K39-D43 PolarHBondContact O-N 2.58Å; K39-Y108 VanDerWaalsContact CD-CB 3.42Å; K39-Y108 HydrophobicContact CD-CG 4.28Å; K39-T109 HydrophobicContact CD-CG2 3.87Å; K39-T109 HydrophobicContact CG-CG2 4.37Å
40	A	92.8	Very high	90.9	Very high	37 Å²	37	71.5 Å²	71.5	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.3	0	0	0	0	0	111.7	Q36 Q37 Y42 D43 E44	Q36-A40 PolarHBondContact O-N 3.29Å; Q37-A40 PolarHBondContact O-N 3.43Å; A40-Y42 VanDerWaalsContact C-N 3.32Å; A40-Y42 PolarHBondContact O-N 3.06Å; A40-D43 PolarHBondContact O-N 3.22Å; A40-E44 WeakPolarHBondContact O-CG 3.37Å; A40-E44 PolarHBondContact O-N 3.01Å
41	L	93.4	Very high	91	Very high	46 Å²	46	67.6 Å²	67.6	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-39.5	174.8	-68.1	171.6	0	0	0	112.3	Q37 L38 K39 A45 Q46 L47	Q37-L41 WeakPolarHBondContact O-CG 3.22Å; Q37-L41 PolarHBondContact O-N 3.48Å; L38-L41 HydrophobicContact CD2-CD1 4.48Å; L38-L41 PolarHBondContact O-N 3.46Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 PolarHBondContact O-N 3.43Å; L41-A45 PolarHBondContact O-N 3.28Å; L41-A45 VanDerWaalsContact O-N 3.12Å; L41-Q46 HydrophobicContact CD2-CB 3.94Å; L41-Q46 PolarHBondContact O-N 3.15Å; L41-L47 HydrophobicContact CD1-CD1 4.35Å
42	Y	92.5	Very high	91.2	Very high	36 Å²	36	64.1 Å²	64.1	14%	0.141	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-44.5	175.3	172.7	-100.1	0	0	0	112.2	L38 K39 A40 E44 A45 A61 C62 Y108	L38-Y42 WeakPolarHBondContact O-CB 3.46Å; L38-Y42 PolarHBondContact O-N 2.73Å; K39-Y42 HydrophobicContact CD-CD1 4.39Å; K39-Y42 WeakPolarHBondContact O-CB 3.43Å; K39-Y42 PolarHBondContact O-N 3.04Å; A40-Y42 VanDerWaalsContact C-N 3.32Å; A40-Y42 PolarHBondContact O-N 3.06Å; Y42-E44 VanDerWaalsContact C-N 3.32Å; Y42-E44 PolarHBondContact O-N 2.85Å; Y42-A45 PolarHBondContact O-N 3.32Å; Y42-A45 VanDerWaalsContact O-N 3.08Å; Y42-A61 WeakPolarHBondContact CE2-O 3.44Å; Y42-C62 HydrophobicContact CD2-CB 4.49Å; Y42-C62 HydrophobicContact CE2-CB 4.18Å; Y42-Y108 HydrophobicContact CD1-CD2 4.24Å; Y42-Y108 HydrophobicContact CD1-CE2 4.4Å; Y42-Y108 HydrophobicContact CD2-CD2 4.21Å; Y42-Y108 HydrophobicContact CD2-CE1 4.38Å; Y42-Y108 AromaticContact CD2-CE2 3.57Å; Y42-Y108 HydrophobicContact CD2-CE2 3.57Å; Y42-Y108 AromaticContact CD2-CZ 3.67Å; Y42-Y108 AromaticContact CE2-CE2 3.92Å; Y42-Y108 HydrophobicContact CE2-CE2 3.92Å; Y42-Y108 HydrophobicContact CG-CD1 4.46Å; Y42-Y108 HydrophobicContact CG-CD2 4.03Å; Y42-Y108 HydrophobicContact CG-CE1 4.23Å; Y42-Y108 AromaticContact CG-CE2 3.82Å; Y42-Y108 HydrophobicContact CG-CE2 3.82Å; Y42-Y108 HydrophobicContact CG-CG 4.38Å; Y42-Y108 AromaticContact CG-CZ 3.93Å
43	D	90.9	Very high	91.4	Very high	102 Å²	102	63 Å²	63	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-33.2	179.8	-69.9	-24.2	0	0	0	112.8	K39 A40 A45	K39-D43 IonicContact NZ-OD1 3.67Å; K39-D43 PolarHBondContact NZ-OD1 3.18Å; K39-D43 IonicContact NZ-OD2 2.85Å; K39-D43 PolarHBondContact NZ-OD2 3.01Å; K39-D43 PolarHBondContact O-N 2.58Å; A40-D43 PolarHBondContact O-N 3.22Å; D43-A45 VanDerWaalsContact C-N 3.28Å
44	E	92.4	Very high	91.5	Very high	126 Å²	126	59.5 Å²	59.5	59%	0.589	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.8	174.6	-65.4	-179.8	-166.7	0	0	113.2	A40 Y42 Q46	A40-E44 WeakPolarHBondContact O-CG 3.37Å; A40-E44 PolarHBondContact O-N 3.01Å; Y42-E44 VanDerWaalsContact C-N 3.32Å; Y42-E44 PolarHBondContact O-N 2.85Å; E44-Q46 HydrophobicContact CB-CG 3.93Å; E44-Q46 PolarHBondContact O-N 3.13Å; E44-Q46 PolarHBondContact OE2-NE2 2.73Å
45	A	90.2	Very high	91.2	Very high	62 Å²	62	58.2 Å²	58.2	51%	0.512	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.5	-174.3	0	0	0	0	0	113.7	L41 Y42 D43	L41-A45 PolarHBondContact O-N 3.28Å; L41-A45 VanDerWaalsContact O-N 3.12Å; Y42-A45 PolarHBondContact O-N 3.32Å; Y42-A45 VanDerWaalsContact O-N 3.08Å; D43-A45 VanDerWaalsContact C-N 3.28Å
46	Q	90.8	Very high	90.7	Very high	89 Å²	89	65.2 Å²	65.2	42%	0.416	34%	0.336	S	S	.	.			trans	-90.1	141.1	178	-68.9	179.6	11.7	0	0	110.3	L41 E44 T48 H63	L41-Q46 HydrophobicContact CD2-CB 3.94Å; L41-Q46 PolarHBondContact O-N 3.15Å; E44-Q46 HydrophobicContact CB-CG 3.93Å; E44-Q46 PolarHBondContact O-N 3.13Å; E44-Q46 PolarHBondContact OE2-NE2 2.73Å; Q46-T48 PolarHBondContact O-N 3.47Å; Q46-T48 VanDerWaalsContact O-N 3.07Å; Q46-H63 PolarHBondContact O-NE2 3.15Å
47	L	90.5	Very high	90.2	Very high	139 Å²	139	61.6 Å²	61.6	73%	0.728	33%	0.331	S	S	*	.	S	Bend	trans	59.9	14.3	177.2	-53.5	176.8	0	0	0	115.6	L41 D49 H63	L41-L47 HydrophobicContact CD1-CD1 4.35Å; L47-D49 PolarHBondContact O-N 3.2Å; L47-H63 PolarHBondContact O-CD2 2.96Å; L47-H63 VanDerWaalsContact O-CD2 3.23Å
48	T	90.2	Very high	90.1	Very high	25 Å²	25	60.3 Å²	60.3	15%	0.153	32%	0.323	C	S	.	.			trans	-68.3	122.4	174.8	60.4	0	0	0	0	110.9	Q46 A61 C62	Q46-T48 PolarHBondContact O-N 3.47Å; Q46-T48 VanDerWaalsContact O-N 3.07Å; T48-A61 HydrophobicContact CG2-CB 4.1Å; T48-C62 WeakPolarHBondContact CA-O 3.43Å
49	D	91.3	Very high	90.1	Very high	67 Å²	67	61.9 Å²	61.9	36%	0.358	34%	0.335	S	S	.	.			trans	-112.5	1.2	-172.3	60.6	-8.2	0	0	0	113.3	L47 C62 H63 R64	L47-D49 PolarHBondContact O-N 3.2Å; D49-C62 PolarHBondContact N-O 3.23Å; D49-C62 VanDerWaalsContact N-O 3.15Å; D49-H63 WeakPolarHBondContact OD1-CA 3.35Å; D49-R64 PolarHBondContact O-NE 3.33Å; D49-R64 WeakPolarHBondContact OD1-CG 3.42Å; D49-R64 PolarHBondContact OD1-N 3.32Å; D49-R64 WeakPolarHBondContact OD2-CB 3.39Å
50	I	90.5	Very high	90.1	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.6	174.1	-175.2	167.1	0	0	0	111.8	V52 A61 C62 R64 L67 F78 R88 V90	I50-V52 HydrophobicContact CD1-CG2 4.43Å; I50-V52 HydrophobicContact CG1-CG2 4.39Å; I50-A61 WeakPolarHBondContact O-CA 3.22Å; I50-C62 VanDerWaalsContact CG2-O 3.31Å; I50-C62 WeakPolarHBondContact CG2-O 3.41Å; I50-C62 PolarHBondContact N-O 2.73Å; I50-C62 PolarHBondContact O-N 3.04Å; I50-R64 HydrophobicContact CB-CG 3.84Å; I50-R64 HydrophobicContact CD1-CG 4.43Å; I50-R64 HydrophobicContact CG2-CG 3.7Å; I50-L67 HydrophobicContact CG2-CD1 4.44Å; I50-F78 HydrophobicContact CD1-CD1 4.33Å; I50-F78 HydrophobicContact CD1-CE1 3.26Å; I50-F78 HydrophobicContact CD1-CZ 3.39Å; I50-R88 CarbonylContact C-O 3.58Å; I50-R88 WeakPolarHBondContact CA-O 3.44Å; I50-V90 HydrophobicContact CD1-CB 4.47Å; I50-V90 HydrophobicContact CD1-CG2 3.93Å
51	V	92.1	Very high	90.1	Very high	31 Å²	31	60.7 Å²	60.7	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.5	170.1	-178.2	0	0	0	0	108.4	T59 F60 A61 R88 E89 V90	V51-T59 HydrophobicContact CG1-CG2 4.18Å; V51-F60 CarbonylContact C-O 3.51Å; V51-F60 WeakPolarHBondContact CA-O 3.47Å; V51-A61 HydrophobicContact CG2-CB 4.47Å; V51-R88 PolarHBondContact N-O 3.46Å; V51-E89 HydrophobicContact CB-CG 4.5Å; V51-E89 CarbonylContact O-C 3.59Å; V51-E89 VanDerWaalsContact O-CA 3.3Å; V51-E89 WeakPolarHBondContact O-CA 3.38Å; V51-V90 PolarHBondContact O-N 3.32Å
52	V	90.6	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.6	176.4	179.6	0	0	0	0	109.1	I50 V54 T59 F60 L67 V90 I92 M100	I50-V52 HydrophobicContact CD1-CG2 4.43Å; I50-V52 HydrophobicContact CG1-CG2 4.39Å; V52-V54 HydrophobicContact CG1-CG1 4.34Å; V52-T59 CarbonylContact O-C 3.58Å; V52-T59 WeakPolarHBondContact O-CA 3.42Å; V52-F60 PolarHBondContact N-O 3.3Å; V52-F60 PolarHBondContact O-N 2.61Å; V52-L67 HydrophobicContact CG2-CD1 4.27Å; V52-V90 CarbonylContact C-O 3.55Å; V52-V90 WeakPolarHBondContact CA-O 3.31Å; V52-I92 HydrophobicContact CG1-CD1 3.44Å; V52-I92 VanDerWaalsContact CG1-CD1 3.44Å; V52-I92 HydrophobicContact CG1-CG1 3.9Å; V52-M100 HydrophobicContact CB-CE 4.12Å; V52-M100 HydrophobicContact CG1-CE 3.73Å; V52-M100 HydrophobicContact CG2-CE 4.3Å
53	E	91.2	Very high	90.2	Very high	51 Å²	51	57.2 Å²	57.2	24%	0.238	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.9	171.1	-170.5	-169.9	175.3	0	0	109.5	K58 T59 V90 R91 I92	E53-K58 WeakPolarHBondContact CA-O 3.4Å; E53-T59 HydrophobicContact CB-CG2 4.03Å; E53-T59 HydrophobicContact CG-CG2 4Å; E53-V90 PolarHBondContact N-O 3.47Å; E53-R91 HydrophobicContact CB-CB 4.41Å; E53-R91 CarbonylContact O-C 3.59Å; E53-R91 WeakPolarHBondContact O-CA 3.47Å; E53-I92 PolarHBondContact O-N 3.41Å
54	V	91	Very high	90.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.295	C	S	.	.			trans	-112	177.9	175.3	-62.9	0	0	0	0	111.3	V52 G57 K58 F60 M100	V52-V54 HydrophobicContact CG1-CG1 4.34Å; V54-G57 PolarHBondContact O-N 3.29Å; V54-G57 VanDerWaalsContact O-N 3.09Å; V54-K58 HydrophobicContact CG2-CB 4Å; V54-K58 WeakPolarHBondContact CG2-O 3.39Å; V54-K58 PolarHBondContact N-O 3.34Å; V54-F60 HydrophobicContact CG1-CD2 4.47Å; V54-F60 HydrophobicContact CG1-CE2 4.34Å; V54-F60 HydrophobicContact CG2-CD2 4.44Å; V54-F60 HydrophobicContact CG2-CE2 3.81Å; V54-M100 HydrophobicContact CG1-CB 3.8Å; V54-M100 HydrophobicContact CG1-CG 3.68Å; V54-M100 HydrophobicContact CG1-SD 4.36Å
55	D	85.1	Confident	90.1	Very high	36 Å²	36	53 Å²	53	19%	0.193	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-55.4	146.7	178.5	-67	-34.8	0	0	0	112	G57 G94 V95	D55-G57 PolarHBondContact O-N 3.26Å; D55-G94 WeakPolarHBondContact OD2-CA 3.42Å; D55-G94 PolarHBondContact OD2-N 3.25Å; D55-V95 PolarHBondContact N-O 3.05Å; D55-V95 PolarHBondContact OD2-N 3.31Å
56	H	80.7	Confident	90.2	Very high	190 Å²	190	50.8 Å²	50.8	88%	0.88	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	66.2	16.1	-171.2	-45.6	-72.9	0	0	0	115.2	K58	H56-K58 PolarHBondContact O-N 2.95Å
57	G	80.7	Confident	90.2	Very high	45 Å²	45	46.5 Å²	46.5	46%	0.464	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	77.8	17.1	165.1	0	0	0	0	0	115	V54 D55	V54-G57 PolarHBondContact O-N 3.29Å; V54-G57 VanDerWaalsContact O-N 3.09Å; D55-G57 PolarHBondContact O-N 3.26Å
58	K	89.8	Confident	90.3	Very high	100 Å²	100	40.9 Å²	40.9	44%	0.435	23%	0.226	S	C	.	.			trans	-78.9	136.8	173.4	-162.3	-176.7	-170.9	177.6	0	109.6	E53 V54 H56 F60	E53-K58 WeakPolarHBondContact CA-O 3.4Å; V54-K58 HydrophobicContact CG2-CB 4Å; V54-K58 WeakPolarHBondContact CG2-O 3.39Å; V54-K58 PolarHBondContact N-O 3.34Å; H56-K58 PolarHBondContact O-N 2.95Å; K58-F60 HydrophobicContact CD-CE1 4.48Å; K58-F60 HydrophobicContact CD-CE2 4.15Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CE2 4.31Å; K58-F60 HydrophobicContact CG-CZ 4.31Å
59	T	92.4	Very high	90.3	Very high	75 Å²	75	43.9 Å²	43.9	46%	0.46	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.5	-178.1	55.6	0	0	0	0	112.2	V51 V52 E53	V51-T59 HydrophobicContact CG1-CG2 4.18Å; V52-T59 CarbonylContact O-C 3.58Å; V52-T59 WeakPolarHBondContact O-CA 3.42Å; E53-T59 HydrophobicContact CB-CG2 4.03Å; E53-T59 HydrophobicContact CG-CG2 4Å
60	F	92.6	Very high	90.4	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.1	179.6	-62.7	-87	0	0	0	110.6	V51 V52 V54 K58 S97 M100 H101 L104	V51-F60 CarbonylContact C-O 3.51Å; V51-F60 WeakPolarHBondContact CA-O 3.47Å; V52-F60 PolarHBondContact N-O 3.3Å; V52-F60 PolarHBondContact O-N 2.61Å; V54-F60 HydrophobicContact CG1-CD2 4.47Å; V54-F60 HydrophobicContact CG1-CE2 4.34Å; V54-F60 HydrophobicContact CG2-CD2 4.44Å; V54-F60 HydrophobicContact CG2-CE2 3.81Å; K58-F60 HydrophobicContact CD-CE1 4.48Å; K58-F60 HydrophobicContact CD-CE2 4.15Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CE2 4.31Å; K58-F60 HydrophobicContact CG-CZ 4.31Å; F60-S97 WeakPolarHBondContact CZ-O 3.1Å; F60-M100 HydrophobicContact CD2-CG 3.92Å; F60-M100 HydrophobicContact CE2-CB 4.03Å; F60-M100 HydrophobicContact CE2-CG 3.88Å; F60-M100 HydrophobicContact CZ-CB 4.47Å; F60-H101 HydrophobicContact CE1-CB 4.12Å; F60-H101 HydrophobicContact CZ-CB 4.23Å; F60-L104 HydrophobicContact CB-CD1 3.66Å; F60-L104 HydrophobicContact CD1-CD1 3.69Å; F60-L104 HydrophobicContact CD2-CD1 4.42Å; F60-L104 HydrophobicContact CE1-CD1 4.41Å; F60-L104 HydrophobicContact CG-CD1 3.68Å
61	A	92.8	Very high	90.5	Very high	38 Å²	38	42.7 Å²	42.7	31%	0.314	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.9	172.3	0	0	0	0	0	109.7	Y42 T48 I50 V51	Y42-A61 WeakPolarHBondContact CE2-O 3.44Å; T48-A61 HydrophobicContact CG2-CB 4.1Å; I50-A61 WeakPolarHBondContact O-CA 3.22Å; V51-A61 HydrophobicContact CG2-CB 4.47Å
62	C	93.9	Very high	90.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	178.7	-173.8	48.5	0	0	0	0	111.9	Y42 T48 D49 I50 L67 L104	Y42-C62 HydrophobicContact CD2-CB 4.49Å; Y42-C62 HydrophobicContact CE2-CB 4.18Å; T48-C62 WeakPolarHBondContact CA-O 3.43Å; D49-C62 PolarHBondContact N-O 3.23Å; D49-C62 VanDerWaalsContact N-O 3.15Å; I50-C62 VanDerWaalsContact CG2-O 3.31Å; I50-C62 WeakPolarHBondContact CG2-O 3.41Å; I50-C62 PolarHBondContact N-O 2.73Å; I50-C62 PolarHBondContact O-N 3.04Å; C62-L67 HydrophobicContact CB-CD1 4.44Å; C62-L67 VanDerWaalsContact SG-CD1 3.54Å; C62-L104 HydrophobicContact CB-CD2 4.19Å
63	H	93.9	Very high	90.6	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.042	27%	0.271	C	S	.	.			trans	-103.1	126.3	-179.5	-49.8	93.7	0	0	0	111.5	Q46 L47 D49 N65 V66 L67 Y108	Q46-H63 PolarHBondContact O-NE2 3.15Å; L47-H63 PolarHBondContact O-CD2 2.96Å; L47-H63 VanDerWaalsContact O-CD2 3.23Å; D49-H63 WeakPolarHBondContact OD1-CA 3.35Å; H63-N65 VanDerWaalsContact C-N 3.27Å; H63-N65 WeakPolarHBondContact CB-OD1 3.22Å; H63-N65 PolarHBondContact O-N 3.35Å; H63-V66 HydrophobicContact CB-CB 4.35Å; H63-V66 HydrophobicContact CB-CG2 4.09Å; H63-V66 PolarHBondContact O-N 2.99Å; H63-L67 PolarHBondContact O-N 3.45Å; H63-L67 VanDerWaalsContact O-N 3.15Å; H63-Y108 PolarHBondContact N-OH 3.05Å; H63-Y108 VanDerWaalsContact N-OH 3.13Å; H63-Y108 AromaticContact ND1-CE1 3.53Å; H63-Y108 AromaticContact ND1-CZ 3.56Å; H63-Y108 PolarHBondContact ND1-OH 2.83Å
64	R	90.9	Very high	90.6	Very high	41 Å²	41	45.4 Å²	45.4	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-39	178.8	-71.3	175	-176.9	-95.2	-3.6	112.2	D49 I50 L67 A68 F78 S85 Q87	D49-R64 PolarHBondContact O-NE 3.33Å; D49-R64 WeakPolarHBondContact OD1-CG 3.42Å; D49-R64 PolarHBondContact OD1-N 3.32Å; D49-R64 WeakPolarHBondContact OD2-CB 3.39Å; I50-R64 HydrophobicContact CB-CG 3.84Å; I50-R64 HydrophobicContact CD1-CG 4.43Å; I50-R64 HydrophobicContact CG2-CG 3.7Å; R64-L67 PolarHBondContact O-N 2.85Å; R64-A68 WeakPolarHBondContact O-CB 3.23Å; R64-A68 PolarHBondContact O-N 3.36Å; R64-F78 HydrophobicContact CB-CD2 3.82Å; R64-F78 HydrophobicContact CB-CE2 3.96Å; R64-F78 HydrophobicContact CB-CG 4.46Å; R64-F78 HydrophobicContact CG-CD2 4.06Å; R64-F78 HydrophobicContact CG-CE2 4.05Å; R64-F78 HydrophobicContact CG-CG 4.37Å; R64-F78 HydrophobicContact CG-CZ 4.34Å; R64-S85 PolarHBondContact NH1-O 2.95Å; R64-Q87 PolarHBondContact NH2-O 3.26Å
65	N	90.9	Very high	90.5	Very high	99 Å²	99	53.1 Å²	53.1	53%	0.529	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-41.6	-179	64.5	-19.1	0	0	0	112	H63 A69	H63-N65 VanDerWaalsContact C-N 3.27Å; H63-N65 WeakPolarHBondContact CB-OD1 3.22Å; H63-N65 PolarHBondContact O-N 3.35Å; N65-A69 VanDerWaalsContact O-CB 3.24Å; N65-A69 WeakPolarHBondContact O-CB 3.18Å; N65-A69 PolarHBondContact O-N 3.22Å
66	V	92.4	Very high	90.8	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-46.6	177.5	177.6	0	0	0	0	110.2	L38 H63 A68 A69 I70 A107 Y108	L38-V66 HydrophobicContact CD1-CG2 4.15Å; H63-V66 HydrophobicContact CB-CB 4.35Å; H63-V66 HydrophobicContact CB-CG2 4.09Å; H63-V66 PolarHBondContact O-N 2.99Å; V66-A68 PolarHBondContact O-N 3.02Å; V66-A69 PolarHBondContact O-N 3.47Å; V66-I70 PolarHBondContact O-N 3.47Å; V66-I70 VanDerWaalsContact O-N 3.17Å; V66-A107 HydrophobicContact CG1-CB 4.11Å; V66-Y108 HydrophobicContact CB-CE1 4.09Å; V66-Y108 HydrophobicContact CG1-CD1 4.18Å; V66-Y108 HydrophobicContact CG1-CE1 3.85Å; V66-Y108 HydrophobicContact CG1-CE2 4.21Å; V66-Y108 HydrophobicContact CG2-CD1 4.49Å; V66-Y108 HydrophobicContact CG2-CE1 3.77Å
67	L	91.8	Very high	91.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-42.6	177.1	-74	-175.2	0	0	0	112.8	I50 V52 C62 H63 R64 A69 I70 S71 F74 F78 L104	I50-L67 HydrophobicContact CG2-CD1 4.44Å; V52-L67 HydrophobicContact CG2-CD1 4.27Å; C62-L67 HydrophobicContact CB-CD1 4.44Å; C62-L67 VanDerWaalsContact SG-CD1 3.54Å; H63-L67 PolarHBondContact O-N 3.45Å; H63-L67 VanDerWaalsContact O-N 3.15Å; R64-L67 PolarHBondContact O-N 2.85Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.92Å; L67-I70 WeakPolarHBondContact O-CG2 3.47Å; L67-I70 PolarHBondContact O-N 2.9Å; L67-S71 WeakPolarHBondContact O-CB 3.33Å; L67-S71 PolarHBondContact O-N 3.47Å; L67-F74 HydrophobicContact CB-CB 4Å; L67-F74 HydrophobicContact CB-CD2 4Å; L67-F74 HydrophobicContact CB-CG 3.99Å; L67-F74 HydrophobicContact CD1-CD1 4.44Å; L67-F74 HydrophobicContact CD1-CD2 4.48Å; L67-F74 HydrophobicContact CD1-CG 4.46Å; L67-F74 HydrophobicContact CD2-CD2 4.05Å; L67-F74 HydrophobicContact CD2-CE2 4.06Å; L67-F74 HydrophobicContact CG-CD2 4.42Å; L67-F78 HydrophobicContact CB-CE2 3.95Å; L67-F78 HydrophobicContact CD1-CZ 4.34Å; L67-L104 HydrophobicContact CD2-CD2 3.74Å
68	A	91.6	Very high	91.4	Very high	21 Å²	21	46 Å²	46	17%	0.174	25%	0.25	C	S	.	.	H	α-helix	trans	-69.4	-27.4	176.2	0	0	0	0	0	113.3	R64 V66 R75 F78	R64-A68 WeakPolarHBondContact O-CB 3.23Å; R64-A68 PolarHBondContact O-N 3.36Å; V66-A68 PolarHBondContact O-N 3.02Å; A68-R75 HydrophobicContact CB-CB 4.07Å; A68-R75 HydrophobicContact CB-CG 4.37Å; A68-F78 HydrophobicContact CB-CD2 4.16Å
69	A	91.2	Very high	91.2	Very high	88 Å²	88	46.1 Å²	46.1	73%	0.727	26%	0.26	S	S	*	.	H	α-helix	trans	-71.8	-37.9	176.9	0	0	0	0	0	111.8	N65 V66 L67	N65-A69 VanDerWaalsContact O-CB 3.24Å; N65-A69 WeakPolarHBondContact O-CB 3.18Å; N65-A69 PolarHBondContact O-N 3.22Å; V66-A69 PolarHBondContact O-N 3.47Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.92Å
70	I	91.7	Very high	90.6	Very high	43 Å²	43	45.5 Å²	45.5	22%	0.221	26%	0.258	C	S	.	.	H	α-helix	trans	-88	-27.8	-176.4	-162	167	0	0	0	114.2	V66 L67 Y106 A107 I131	V66-I70 PolarHBondContact O-N 3.47Å; V66-I70 VanDerWaalsContact O-N 3.17Å; L67-I70 WeakPolarHBondContact O-CG2 3.47Å; L67-I70 PolarHBondContact O-N 2.9Å; I70-Y106 HydrophobicContact CD1-CD1 3.54Å; I70-Y106 HydrophobicContact CD1-CE1 3.62Å; I70-Y106 HydrophobicContact CG1-CE1 4.38Å; I70-A107 VanDerWaalsContact CD1-CA 3.48Å; I70-A107 HydrophobicContact CD1-CB 3.59Å; I70-A107 HydrophobicContact CG2-CB 4.15Å; I70-I131 HydrophobicContact CG1-CD1 4.39Å; I70-I131 HydrophobicContact CG1-CG2 4.29Å; I70-I131 HydrophobicContact CG2-CD1 4.48Å
71	S	93.5	Very high	89.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	29%	0.287	C	S	.	.			trans	-129.8	119.3	-169.9	167.7	0	0	0	0	111.3	L67 Y73 F74 R75 F129	L67-S71 WeakPolarHBondContact O-CB 3.33Å; L67-S71 PolarHBondContact O-N 3.47Å; S71-Y73 PolarHBondContact O-N 3.38Å; S71-Y73 WeakPolarHBondContact OG-CB 3.2Å; S71-Y73 PolarHBondContact OG-N 3.31Å; S71-F74 PolarHBondContact O-N 2.91Å; S71-F74 WeakPolarHBondContact OG-CD2 3.38Å; S71-F74 PolarHBondContact OG-N 2.67Å; S71-R75 WeakPolarHBondContact O-CB 3.43Å; S71-R75 PolarHBondContact O-N 3.22Å; S71-F129 WeakPolarHBondContact CB-O 3.24Å; S71-F129 PolarHBondContact OG-O 3.21Å
72	P	92.7	Very high	88.7	Confident	63 Å²	63	51.1 Å²	51.1	41%	0.409	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-29.8	170.2	-21.9	33.3	0	0	0	113.3	S76 Q130	P72-S76 WeakPolarHBondContact O-CB 3.36Å; P72-S76 PolarHBondContact O-N 2.97Å; P72-S76 PolarHBondContact O-OG 3.07Å; P72-Q130 WeakPolarHBondContact CD-O 3.41Å; P72-Q130 HydrophobicContact CG-CB 4.41Å
73	Y	91.6	Very high	87.5	Confident	74 Å²	74	55.3 Å²	55.3	29%	0.29	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-54.4	174.6	172.1	-95.4	0	0	0	111.1	S71 R75 S76 M77 F129	S71-Y73 PolarHBondContact O-N 3.38Å; S71-Y73 WeakPolarHBondContact OG-CB 3.2Å; S71-Y73 PolarHBondContact OG-N 3.31Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.49Å; Y73-S76 PolarHBondContact O-N 3.4Å; Y73-M77 HydrophobicContact CD1-CE 4.34Å; Y73-M77 HydrophobicContact CE1-CE 3.38Å; Y73-M77 HydrophobicContact CE2-CE 4.45Å; Y73-M77 VanDerWaalsContact CZ-CE 3.45Å; Y73-M77 WeakPolarHBondContact O-CB 3.4Å; Y73-M77 PolarHBondContact O-N 2.96Å; Y73-M77 VanDerWaalsContact OH-CE 3.23Å; Y73-M77 WeakPolarHBondContact OH-CE 3.41Å; Y73-F129 AromaticContact CD1-CD1 3.91Å; Y73-F129 HydrophobicContact CD1-CD1 3.91Å; Y73-F129 HydrophobicContact CE1-CD1 4.15Å; Y73-F129 HydrophobicContact CE1-CE1 4.37Å
74	F	90.7	Very high	86.5	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-37	177.4	-73.1	-56	0	0	0	112.3	L67 S71 S76 M77 F78 I92 M100 F129	L67-F74 HydrophobicContact CB-CB 4Å; L67-F74 HydrophobicContact CB-CD2 4Å; L67-F74 HydrophobicContact CB-CG 3.99Å; L67-F74 HydrophobicContact CD1-CD1 4.44Å; L67-F74 HydrophobicContact CD1-CD2 4.48Å; L67-F74 HydrophobicContact CD1-CG 4.46Å; L67-F74 HydrophobicContact CD2-CD2 4.05Å; L67-F74 HydrophobicContact CD2-CE2 4.06Å; L67-F74 HydrophobicContact CG-CD2 4.42Å; S71-F74 PolarHBondContact O-N 2.91Å; S71-F74 WeakPolarHBondContact OG-CD2 3.38Å; S71-F74 PolarHBondContact OG-N 2.67Å; F74-S76 PolarHBondContact O-N 3.49Å; F74-M77 HydrophobicContact CD1-SD 4.26Å; F74-M77 PolarHBondContact O-N 2.82Å; F74-F78 HydrophobicContact CB-CD2 4.43Å; F74-F78 HydrophobicContact CB-CE2 3.81Å; F74-F78 HydrophobicContact CB-CZ 4.12Å; F74-F78 HydrophobicContact CD1-CE2 4.35Å; F74-F78 AromaticContact CD1-CZ 3.82Å; F74-F78 HydrophobicContact CD1-CZ 3.82Å; F74-F78 HydrophobicContact CG-CE2 4.4Å; F74-F78 HydrophobicContact CG-CZ 4.31Å; F74-F78 WeakPolarHBondContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CG 3.44Å; F74-F78 PolarHBondContact O-N 3.17Å; F74-I92 HydrophobicContact CE1-CD1 3.65Å; F74-I92 HydrophobicContact CZ-CD1 3.68Å; F74-M100 HydrophobicContact CZ-CE 4.31Å; F74-F129 HydrophobicContact CE2-CB 4.42Å; F74-F129 AromaticContact CE2-CD1 3.76Å; F74-F129 HydrophobicContact CE2-CD1 3.76Å; F74-F129 HydrophobicContact CE2-CD2 4.46Å; F74-F129 HydrophobicContact CE2-CE1 4.11Å; F74-F129 AromaticContact CE2-CG 3.97Å; F74-F129 HydrophobicContact CE2-CG 3.97Å; F74-F129 AromaticContact CZ-CD1 3.72Å; F74-F129 HydrophobicContact CZ-CD1 3.72Å; F74-F129 AromaticContact CZ-CE1 3.64Å; F74-F129 HydrophobicContact CZ-CE1 3.64Å; F74-F129 HydrophobicContact CZ-CG 4.34Å; F74-F129 HydrophobicContact CZ-CZ 4.16Å
75	R	90.4	Very high	85.7	Confident	161 Å²	161	58.1 Å²	58.1	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-57.1	-51.4	173.9	-172.8	173.7	175.5	175.5	-1	111	A68 S71 Y73 M77 F78 T79	A68-R75 HydrophobicContact CB-CB 4.07Å; A68-R75 HydrophobicContact CB-CG 4.37Å; S71-R75 WeakPolarHBondContact O-CB 3.43Å; S71-R75 PolarHBondContact O-N 3.22Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.49Å; R75-M77 VanDerWaalsContact C-N 3.34Å; R75-M77 PolarHBondContact O-N 3.33Å; R75-F78 PolarHBondContact O-N 3.45Å; R75-T79 WeakPolarHBondContact O-CB 3.3Å; R75-T79 WeakPolarHBondContact O-CG2 3.45Å; R75-T79 PolarHBondContact O-N 3.05Å; R75-T79 PolarHBondContact O-OG1 2.96Å
76	S	89.8	Confident	85	Confident	69 Å²	69	58.2 Å²	58.2	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-41.8	179.6	-56.8	0	0	0	0	111.3	P72 Y73 F74 F78 T79 S80	P72-S76 WeakPolarHBondContact O-CB 3.36Å; P72-S76 PolarHBondContact O-N 2.97Å; P72-S76 PolarHBondContact O-OG 3.07Å; Y73-S76 PolarHBondContact O-N 3.4Å; F74-S76 PolarHBondContact O-N 3.49Å; S76-F78 VanDerWaalsContact C-N 3.35Å; S76-F78 PolarHBondContact O-N 3.46Å; S76-T79 PolarHBondContact O-N 3.47Å; S76-S80 WeakPolarHBondContact O-CA 3.4Å; S76-S80 WeakPolarHBondContact O-CB 3.22Å; S76-S80 PolarHBondContact O-N 3.25Å; S76-S80 PolarHBondContact O-OG 2.96Å
77	M	87.4	Confident	84.5	Confident	25 Å²	25	61.9 Å²	61.9	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-57.9	-45.2	175.7	-176.8	-174.6	-74.6	0	0	112.1	Y73 F74 R75 S80 E84 V90	Y73-M77 HydrophobicContact CD1-CE 4.34Å; Y73-M77 HydrophobicContact CE1-CE 3.38Å; Y73-M77 HydrophobicContact CE2-CE 4.45Å; Y73-M77 VanDerWaalsContact CZ-CE 3.45Å; Y73-M77 WeakPolarHBondContact O-CB 3.4Å; Y73-M77 PolarHBondContact O-N 2.96Å; Y73-M77 VanDerWaalsContact OH-CE 3.23Å; Y73-M77 WeakPolarHBondContact OH-CE 3.41Å; F74-M77 HydrophobicContact CD1-SD 4.26Å; F74-M77 PolarHBondContact O-N 2.82Å; R75-M77 VanDerWaalsContact C-N 3.34Å; R75-M77 PolarHBondContact O-N 3.33Å; M77-S80 PolarHBondContact O-OG 2.82Å; M77-E84 HydrophobicContact CG-CB 3.97Å; M77-V90 HydrophobicContact CE-CG1 4.16Å; M77-V90 HydrophobicContact SD-CG1 3.8Å; M77-V90 HydrophobicContact SD-CG2 4.42Å
78	F	87.6	Confident	84.2	Confident	27 Å²	27	70.2 Å²	70.2	12%	0.118	40%	0.399	C	S	.	.	H	α-helix	trans	-81.9	-20.8	-177	-53.8	-29.3	0	0	0	113.8	I50 R64 L67 A68 F74 R75 S76 S85	I50-F78 HydrophobicContact CD1-CD1 4.33Å; I50-F78 HydrophobicContact CD1-CE1 3.26Å; I50-F78 HydrophobicContact CD1-CZ 3.39Å; R64-F78 HydrophobicContact CB-CD2 3.82Å; R64-F78 HydrophobicContact CB-CE2 3.96Å; R64-F78 HydrophobicContact CB-CG 4.46Å; R64-F78 HydrophobicContact CG-CD2 4.06Å; R64-F78 HydrophobicContact CG-CE2 4.05Å; R64-F78 HydrophobicContact CG-CG 4.37Å; R64-F78 HydrophobicContact CG-CZ 4.34Å; L67-F78 HydrophobicContact CB-CE2 3.95Å; L67-F78 HydrophobicContact CD1-CZ 4.34Å; A68-F78 HydrophobicContact CB-CD2 4.16Å; F74-F78 HydrophobicContact CB-CD2 4.43Å; F74-F78 HydrophobicContact CB-CE2 3.81Å; F74-F78 HydrophobicContact CB-CZ 4.12Å; F74-F78 HydrophobicContact CD1-CE2 4.35Å; F74-F78 AromaticContact CD1-CZ 3.82Å; F74-F78 HydrophobicContact CD1-CZ 3.82Å; F74-F78 HydrophobicContact CG-CE2 4.4Å; F74-F78 HydrophobicContact CG-CZ 4.31Å; F74-F78 WeakPolarHBondContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CG 3.44Å; F74-F78 PolarHBondContact O-N 3.17Å; R75-F78 PolarHBondContact O-N 3.45Å; S76-F78 VanDerWaalsContact C-N 3.35Å; S76-F78 PolarHBondContact O-N 3.46Å; F78-S85 WeakPolarHBondContact O-CB 3.44Å
79	T	86.4	Confident	84	Confident	104 Å²	104	74.3 Å²	74.3	64%	0.638	42%	0.415	S	S	*	.	H	α-helix	trans	-105.8	-7.7	-178.7	66.3	0	0	0	0	114.9	R75 S76 G81	R75-T79 WeakPolarHBondContact O-CB 3.3Å; R75-T79 WeakPolarHBondContact O-CG2 3.45Å; R75-T79 PolarHBondContact O-N 3.05Å; R75-T79 PolarHBondContact O-OG1 2.96Å; S76-T79 PolarHBondContact O-N 3.47Å; T79-G81 VanDerWaalsContact C-N 3.26Å; T79-G81 PolarHBondContact O-N 3.42Å
80	S	78.7	Confident	83.9	Confident	61 Å²	61	70.6 Å²	70.6	43%	0.427	38%	0.383	S	S	.	.	S	Bend	trans	-74.3	-7	-174.3	53.9	0	0	0	0	115.3	S76 M77 L82	S76-S80 WeakPolarHBondContact O-CA 3.4Å; S76-S80 WeakPolarHBondContact O-CB 3.22Å; S76-S80 PolarHBondContact O-N 3.25Å; S76-S80 PolarHBondContact O-OG 2.96Å; M77-S80 PolarHBondContact O-OG 2.82Å; S80-L82 PolarHBondContact O-N 3.29Å
81	G	69.8	Low	83.7	Confident	65 Å²	65	76.3 Å²	76.3	67%	0.67	40%	0.402	S	S	*	.			trans	69.7	8.4	-179	0	0	0	0	0	114.7	T79	T79-G81 VanDerWaalsContact C-N 3.26Å; T79-G81 PolarHBondContact O-N 3.42Å
82	L	75.7	Confident	83.4	Confident	106 Å²	106	76.5 Å²	76.5	56%	0.555	40%	0.403	S	S	*	.	S	Bend	trans	-76.5	171.8	172.7	-64.5	173.4	0	0	0	111.2	S80 E84 S85	S80-L82 PolarHBondContact O-N 3.29Å; L82-E84 WeakPolarHBondContact CB-OE2 3.29Å; L82-E84 PolarHBondContact O-N 3.26Å; L82-E84 VanDerWaalsContact O-N 3.12Å; L82-S85 WeakPolarHBondContact O-CB 3.18Å; L82-S85 PolarHBondContact O-N 3Å; L82-S85 PolarHBondContact O-OG 3.47Å
83	T	68.4	Low	83.1	Confident	89 Å²	89	78.5 Å²	78.5	55%	0.546	41%	0.413	S	S	.	.	H	α-helix	trans	-51.8	-38.3	-176.8	34.1	0	0	0	0	113.6	S85 S86 Q87	T83-S85 PolarHBondContact O-N 3.48Å; T83-S86 PolarHBondContact O-N 3.44Å; T83-S86 PolarHBondContact O-OG 2.93Å; T83-Q87 WeakPolarHBondContact O-CG 3.42Å; T83-Q87 PolarHBondContact O-N 3.31Å
84	E	72.9	Confident	82.8	Confident	72 Å²	72	77.2 Å²	77.2	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-25	-179.7	-64.1	86.1	160.2	0	0	112.5	M77 L82 S86	M77-E84 HydrophobicContact CG-CB 3.97Å; L82-E84 WeakPolarHBondContact CB-OE2 3.29Å; L82-E84 PolarHBondContact O-N 3.26Å; L82-E84 VanDerWaalsContact O-N 3.12Å; E84-S86 VanDerWaalsContact C-N 3.28Å; E84-S86 PolarHBondContact O-N 2.94Å
85	S	74.3	Confident	82.8	Confident	36 Å²	36	77.3 Å²	77.3	25%	0.252	42%	0.424	S	S	.	.	H	α-helix	trans	-68.9	-27.7	175	69.9	0	0	0	0	112.6	R64 F78 L82 T83	R64-S85 PolarHBondContact NH1-O 2.95Å; F78-S85 WeakPolarHBondContact O-CB 3.44Å; L82-S85 WeakPolarHBondContact O-CB 3.18Å; L82-S85 PolarHBondContact O-N 3Å; L82-S85 PolarHBondContact O-OG 3.47Å; T83-S85 PolarHBondContact O-N 3.48Å
86	S	75.5	Confident	82.8	Confident	101 Å²	101	74.9 Å²	74.9	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-101.3	-15.1	-177.8	66.4	0	0	0	0	114.2	T83 E84	T83-S86 PolarHBondContact O-N 3.44Å; T83-S86 PolarHBondContact O-OG 2.93Å; E84-S86 VanDerWaalsContact C-N 3.28Å; E84-S86 PolarHBondContact O-N 2.94Å
87	Q	83.3	Confident	82.8	Confident	91 Å²	91	73.4 Å²	73.4	43%	0.425	41%	0.409	S	S	.	.			trans	-83.1	132.8	-176.9	-76	174.4	-4.4	0	0	112	R64 T83 E89	R64-Q87 PolarHBondContact NH2-O 3.26Å; T83-Q87 WeakPolarHBondContact O-CG 3.42Å; T83-Q87 PolarHBondContact O-N 3.31Å; Q87-E89 VanDerWaalsContact C-N 3.31Å
88	R	84.4	Confident	83.1	Confident	175 Å²	175	77.2 Å²	77.2	66%	0.66	43%	0.426	S	S	*	.	S	Bend	trans	-72.3	-24.2	176.8	-169.7	177.6	179.2	-160.6	-0.8	113.1	I50 V51	I50-R88 CarbonylContact C-O 3.58Å; I50-R88 WeakPolarHBondContact CA-O 3.44Å; V51-R88 PolarHBondContact N-O 3.46Å
89	E	88.1	Confident	83.4	Confident	108 Å²	108	76 Å²	76	51%	0.505	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.2	-178	-174.1	167.3	-148.8	0	0	110	V51 Q87	V51-E89 HydrophobicContact CB-CG 4.5Å; V51-E89 CarbonylContact O-C 3.59Å; V51-E89 VanDerWaalsContact O-CA 3.3Å; V51-E89 WeakPolarHBondContact O-CA 3.38Å; Q87-E89 VanDerWaalsContact C-N 3.31Å
90	V	88.4	Confident	83.7	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.055	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.6	-179.2	177.4	0	0	0	0	109.2	I50 V51 V52 E53 M77 I92	I50-V90 HydrophobicContact CD1-CB 4.47Å; I50-V90 HydrophobicContact CD1-CG2 3.93Å; V51-V90 PolarHBondContact O-N 3.32Å; V52-V90 CarbonylContact C-O 3.55Å; V52-V90 WeakPolarHBondContact CA-O 3.31Å; E53-V90 PolarHBondContact N-O 3.47Å; M77-V90 HydrophobicContact CE-CG1 4.16Å; M77-V90 HydrophobicContact SD-CG1 3.8Å; M77-V90 HydrophobicContact SD-CG2 4.42Å; V90-I92 HydrophobicContact CG1-CG1 4.48Å
91	R	88.6	Confident	84.4	Confident	164 Å²	164	72.3 Å²	72.3	62%	0.619	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.1	177.1	-177.1	174.4	171.1	-171.6	-1.3	111.3	E53	E53-R91 HydrophobicContact CB-CB 4.41Å; E53-R91 CarbonylContact O-C 3.59Å; E53-R91 WeakPolarHBondContact O-CA 3.47Å
92	I	87.6	Confident	85.5	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	36%	0.363	C	S	.	.			trans	-110.2	123.1	177	-54.8	-179.9	0	0	0	108.2	V52 E53 F74 V90 V95 F129	V52-I92 HydrophobicContact CG1-CD1 3.44Å; V52-I92 VanDerWaalsContact CG1-CD1 3.44Å; V52-I92 HydrophobicContact CG1-CG1 3.9Å; E53-I92 PolarHBondContact O-N 3.41Å; F74-I92 HydrophobicContact CE1-CD1 3.65Å; F74-I92 HydrophobicContact CZ-CD1 3.68Å; V90-I92 HydrophobicContact CG1-CG1 4.48Å; I92-V95 HydrophobicContact CG2-CB 4.4Å; I92-V95 HydrophobicContact CG2-CG2 3.89Å; I92-F129 HydrophobicContact CD1-CE1 3.76Å; I92-F129 HydrophobicContact CD1-CZ 4.06Å; I92-F129 HydrophobicContact CG2-CE1 3.97Å; I92-F129 HydrophobicContact CG2-CZ 4.2Å
93	V	86.5	Confident	86.4	Confident	104 Å²	104	65 Å²	65	63%	0.63	34%	0.336	S	S	*	.	S	Bend	trans	-101.5	143.1	-178.9	-175.6	0	0	0	0	109.6
94	G	84.1	Confident	87.6	Confident	48 Å²	48	60.8 Å²	60.8	50%	0.495	31%	0.31	S	S	.	.	S	Bend	trans	87.3	19.8	177.9	0	0	0	0	0	114	D55	D55-G94 WeakPolarHBondContact OD2-CA 3.42Å; D55-G94 PolarHBondContact OD2-N 3.25Å
95	V	90.3	Very high	88.5	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	31%	0.306	C	S	.	.			trans	-131	122.7	-179.9	-178.5	0	0	0	0	109.9	D55 I92 M100 A125 I128 F129	D55-V95 PolarHBondContact N-O 3.05Å; D55-V95 PolarHBondContact OD2-N 3.31Å; I92-V95 HydrophobicContact CG2-CB 4.4Å; I92-V95 HydrophobicContact CG2-CG2 3.89Å; V95-M100 HydrophobicContact CG1-CB 4.2Å; V95-A125 HydrophobicContact CG1-CB 4.01Å; V95-I128 HydrophobicContact CG2-CD1 3.89Å; V95-F129 HydrophobicContact CG1-CE2 4.27Å; V95-F129 HydrophobicContact CG1-CZ 4.16Å; V95-F129 HydrophobicContact CG2-CZ 3.93Å
96	E	90.5	Very high	89.5	Confident	110 Å²	110	59.3 Å²	59.3	51%	0.514	30%	0.299	S	S	.	.			trans	-70.5	149.8	176.3	-64.3	-178.6	-177.5	0	0	112.3	E98 S99 M100	E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 3.19Å; E96-S99 PolarHBondContact O-N 2.92Å; E96-M100 PolarHBondContact O-N 2.95Å
97	S	91.4	Very high	90.3	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-27.9	-175	83.5	0	0	0	0	114.8	F60 H101	F60-S97 WeakPolarHBondContact CZ-O 3.1Å; S97-H101 PolarHBondContact O-N 2.9Å
98	E	92.4	Very high	90.8	Very high	106 Å²	106	50.7 Å²	50.7	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-72.1	-45.9	174.5	-173.4	174.2	174.3	0	0	111.1	E96 M100 H101 L102	E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 3.19Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.42Å; E98-H101 WeakPolarHBondContact O-CB 3.29Å; E98-H101 PolarHBondContact O-N 2.91Å; E98-H101 VanDerWaalsContact O-N 3.15Å; E98-L102 HydrophobicContact CG-CD1 4.46Å; E98-L102 WeakPolarHBondContact O-CG 3.47Å; E98-L102 PolarHBondContact O-N 3.49Å
99	S	93.4	Very high	91.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-43.1	176.5	-59.4	0	0	0	0	112	E96 H101 L102 V103 A121 L122	E96-S99 PolarHBondContact O-N 2.92Å; S99-H101 VanDerWaalsContact C-N 3.34Å; S99-H101 PolarHBondContact O-N 2.9Å; S99-L102 PolarHBondContact O-N 3.4Å; S99-V103 WeakPolarHBondContact O-CG2 3.36Å; S99-V103 PolarHBondContact O-N 3.04Å; S99-A121 VanDerWaalsContact OG-C 3.32Å; S99-A121 VanDerWaalsContact OG-CB 3.31Å; S99-A121 WeakPolarHBondContact OG-CB 3.11Å; S99-A121 PolarHBondContact OG-O 3.28Å; S99-L122 PolarHBondContact OG-N 3.4Å
100	M	93.3	Very high	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-41.4	175.7	-173.4	66.1	-172.3	0	0	111.9	V52 V54 F60 F74 V95 E96 E98 L102 V103 L104 F129	V52-M100 HydrophobicContact CB-CE 4.12Å; V52-M100 HydrophobicContact CG1-CE 3.73Å; V52-M100 HydrophobicContact CG2-CE 4.3Å; V54-M100 HydrophobicContact CG1-CB 3.8Å; V54-M100 HydrophobicContact CG1-CG 3.68Å; V54-M100 HydrophobicContact CG1-SD 4.36Å; F60-M100 HydrophobicContact CD2-CG 3.92Å; F60-M100 HydrophobicContact CE2-CB 4.03Å; F60-M100 HydrophobicContact CE2-CG 3.88Å; F60-M100 HydrophobicContact CZ-CB 4.47Å; F74-M100 HydrophobicContact CZ-CE 4.31Å; V95-M100 HydrophobicContact CG1-CB 4.2Å; E96-M100 PolarHBondContact O-N 2.95Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.42Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.28Å; M100-V103 PolarHBondContact O-N 3.46Å; M100-L104 HydrophobicContact CE-CD1 4.08Å; M100-L104 HydrophobicContact CE-CD2 4.12Å; M100-L104 HydrophobicContact CE-CG 4.02Å; M100-L104 HydrophobicContact CG-CD1 4.23Å; M100-L104 WeakPolarHBondContact O-CG 3.45Å; M100-L104 PolarHBondContact O-N 2.88Å; M100-F129 HydrophobicContact SD-CE2 3.7Å; M100-F129 HydrophobicContact SD-CZ 3.69Å
101	H	92.6	Very high	91.2	Very high	87 Å²	87	51.6 Å²	51.6	40%	0.403	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175.4	177.1	-83.5	0	0	0	111.6	F60 S97 E98 S99 L104 D105	F60-H101 HydrophobicContact CE1-CB 4.12Å; F60-H101 HydrophobicContact CZ-CB 4.23Å; S97-H101 PolarHBondContact O-N 2.9Å; E98-H101 WeakPolarHBondContact O-CB 3.29Å; E98-H101 PolarHBondContact O-N 2.91Å; E98-H101 VanDerWaalsContact O-N 3.15Å; S99-H101 VanDerWaalsContact C-N 3.34Å; S99-H101 PolarHBondContact O-N 2.9Å; H101-L104 PolarHBondContact O-N 3.02Å; H101-D105 WeakPolarHBondContact O-CB 3Å; H101-D105 PolarHBondContact O-N 3.47Å
102	L	94	Very high	91.4	Very high	18 Å²	18	45 Å²	45	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-38.2	177.6	-68.9	171.7	0	0	0	112.6	E98 S99 M100 D105 Y106 N118 L122	E98-L102 HydrophobicContact CG-CD1 4.46Å; E98-L102 WeakPolarHBondContact O-CG 3.47Å; E98-L102 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 3.4Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.28Å; L102-D105 PolarHBondContact O-N 2.94Å; L102-Y106 VanDerWaalsContact O-CB 3.29Å; L102-Y106 WeakPolarHBondContact O-CB 3.42Å; L102-Y106 PolarHBondContact O-N 3.41Å; L102-N118 HydrophobicContact CD1-CB 4.11Å; L102-L122 HydrophobicContact CB-CD1 3.81Å; L102-L122 HydrophobicContact CB-CD2 4.24Å; L102-L122 HydrophobicContact CD1-CD2 4.14Å
103	V	94.3	Very high	91.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-43.4	173.7	172.1	0	0	0	0	110.9	S99 M100 Y106 A107 L122 A125 F129 I131 L134	S99-V103 WeakPolarHBondContact O-CG2 3.36Å; S99-V103 PolarHBondContact O-N 3.04Å; M100-V103 PolarHBondContact O-N 3.46Å; V103-Y106 PolarHBondContact O-N 3.23Å; V103-A107 WeakPolarHBondContact O-CB 3.47Å; V103-A107 PolarHBondContact O-N 3.14Å; V103-L122 HydrophobicContact CG2-CD1 3.72Å; V103-A125 HydrophobicContact CG2-CB 4.37Å; V103-F129 HydrophobicContact CG1-CD2 4Å; V103-F129 HydrophobicContact CG1-CE2 4.41Å; V103-F129 HydrophobicContact CG2-CD2 4.1Å; V103-F129 HydrophobicContact CG2-CE2 4.3Å; V103-I131 HydrophobicContact CG1-CD1 3.74Å; V103-L134 HydrophobicContact CG2-CD2 3.88Å
104	L	93.1	Very high	91.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-47.2	176.6	-71.6	171.4	0	0	0	111.2	F60 C62 L67 M100 H101 Y106 A107 Y108	F60-L104 HydrophobicContact CB-CD1 3.66Å; F60-L104 HydrophobicContact CD1-CD1 3.69Å; F60-L104 HydrophobicContact CD2-CD1 4.42Å; F60-L104 HydrophobicContact CE1-CD1 4.41Å; F60-L104 HydrophobicContact CG-CD1 3.68Å; C62-L104 HydrophobicContact CB-CD2 4.19Å; L67-L104 HydrophobicContact CD2-CD2 3.74Å; M100-L104 HydrophobicContact CE-CD1 4.08Å; M100-L104 HydrophobicContact CE-CD2 4.12Å; M100-L104 HydrophobicContact CE-CG 4.02Å; M100-L104 HydrophobicContact CG-CD1 4.23Å; M100-L104 WeakPolarHBondContact O-CG 3.45Å; M100-L104 PolarHBondContact O-N 2.88Å; H101-L104 PolarHBondContact O-N 3.02Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.49Å; L104-A107 WeakPolarHBondContact O-CA 3.48Å; L104-A107 WeakPolarHBondContact O-CB 3.21Å; L104-A107 PolarHBondContact O-N 2.81Å; L104-Y108 HydrophobicContact CD2-CE2 4.45Å; L104-Y108 VanDerWaalsContact O-CD2 3.22Å; L104-Y108 WeakPolarHBondContact O-CD2 3.45Å; L104-Y108 PolarHBondContact O-N 3.31Å
105	D	92.9	Very high	92.3	Very high	45 Å²	45	46.2 Å²	46.2	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-42	177.7	-167.2	48.1	0	0	0	111	H101 L102 A107 Y108 T109	H101-D105 WeakPolarHBondContact O-CB 3Å; H101-D105 PolarHBondContact O-N 3.47Å; L102-D105 PolarHBondContact O-N 2.94Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 3.08Å; D105-Y108 PolarHBondContact O-N 3.37Å; D105-T109 VanDerWaalsContact O-CB 3.3Å; D105-T109 WeakPolarHBondContact O-CB 3.37Å; D105-T109 WeakPolarHBondContact O-CG2 3.3Å; D105-T109 PolarHBondContact O-N 3.36Å; D105-T109 PolarHBondContact O-OG1 3.22Å; D105-T109 WeakPolarHBondContact OD1-CG2 3.42Å
106	Y	94.4	Very high	92.1	Very high	31 Å²	31	52 Å²	52	12%	0.122	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-40.2	171	177.1	-106.5	0	0	0	112.3	I70 L102 V103 L104 Y108 S110 R111 V112 I131 L134	I70-Y106 HydrophobicContact CD1-CD1 3.54Å; I70-Y106 HydrophobicContact CD1-CE1 3.62Å; I70-Y106 HydrophobicContact CG1-CE1 4.38Å; L102-Y106 VanDerWaalsContact O-CB 3.29Å; L102-Y106 WeakPolarHBondContact O-CB 3.42Å; L102-Y106 PolarHBondContact O-N 3.41Å; V103-Y106 PolarHBondContact O-N 3.23Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.49Å; Y106-Y108 VanDerWaalsContact C-N 3.32Å; Y106-Y108 PolarHBondContact O-N 3.02Å; Y106-S110 WeakPolarHBondContact O-CA 3.31Å; Y106-S110 PolarHBondContact O-N 2.88Å; Y106-R111 VanDerWaalsContact CA-O 3.31Å; Y106-R111 WeakPolarHBondContact CA-O 3.2Å; Y106-V112 HydrophobicContact CD2-CB 4.41Å; Y106-I131 HydrophobicContact CE1-CG2 4.07Å; Y106-L134 HydrophobicContact CD1-CD2 4.45Å; Y106-L134 HydrophobicContact CD2-CD1 4.48Å; Y106-L134 HydrophobicContact CE1-CB 4.42Å; Y106-L134 HydrophobicContact CG-CD1 4.33Å
107	A	92.9	Very high	92.1	Very high	8 Å²	8	51.6 Å²	51.6	7%	0.066	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-31.9	179.9	0	0	0	0	0	114.4	V66 I70 V103 L104 D105	V66-A107 HydrophobicContact CG1-CB 4.11Å; I70-A107 VanDerWaalsContact CD1-CA 3.48Å; I70-A107 HydrophobicContact CD1-CB 3.59Å; I70-A107 HydrophobicContact CG2-CB 4.15Å; V103-A107 WeakPolarHBondContact O-CB 3.47Å; V103-A107 PolarHBondContact O-N 3.14Å; L104-A107 WeakPolarHBondContact O-CA 3.48Å; L104-A107 WeakPolarHBondContact O-CB 3.21Å; L104-A107 PolarHBondContact O-N 2.81Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 3.08Å
108	Y	92.8	Very high	92.2	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-100.8	-11.6	179.2	-67.2	-85.7	0	0	0	114.4	L35 L38 K39 Y42 H63 V66 L104 D105 Y106	L35-Y108 VanDerWaalsContact CG-O 3.3Å; L35-Y108 WeakPolarHBondContact CG-O 3.32Å; L38-Y108 HydrophobicContact CB-CD1 4.19Å; L38-Y108 HydrophobicContact CB-CE1 4.43Å; K39-Y108 VanDerWaalsContact CD-CB 3.42Å; K39-Y108 HydrophobicContact CD-CG 4.28Å; Y42-Y108 HydrophobicContact CD1-CD2 4.24Å; Y42-Y108 HydrophobicContact CD1-CE2 4.4Å; Y42-Y108 HydrophobicContact CD2-CD2 4.21Å; Y42-Y108 HydrophobicContact CD2-CE1 4.38Å; Y42-Y108 AromaticContact CD2-CE2 3.57Å; Y42-Y108 HydrophobicContact CD2-CE2 3.57Å; Y42-Y108 AromaticContact CD2-CZ 3.67Å; Y42-Y108 AromaticContact CE2-CE2 3.92Å; Y42-Y108 HydrophobicContact CE2-CE2 3.92Å; Y42-Y108 HydrophobicContact CG-CD1 4.46Å; Y42-Y108 HydrophobicContact CG-CD2 4.03Å; Y42-Y108 HydrophobicContact CG-CE1 4.23Å; Y42-Y108 AromaticContact CG-CE2 3.82Å; Y42-Y108 HydrophobicContact CG-CE2 3.82Å; Y42-Y108 HydrophobicContact CG-CG 4.38Å; Y42-Y108 AromaticContact CG-CZ 3.93Å; H63-Y108 PolarHBondContact N-OH 3.05Å; H63-Y108 VanDerWaalsContact N-OH 3.13Å; H63-Y108 AromaticContact ND1-CE1 3.53Å; H63-Y108 AromaticContact ND1-CZ 3.56Å; H63-Y108 PolarHBondContact ND1-OH 2.83Å; V66-Y108 HydrophobicContact CB-CE1 4.09Å; V66-Y108 HydrophobicContact CG1-CD1 4.18Å; V66-Y108 HydrophobicContact CG1-CE1 3.85Å; V66-Y108 HydrophobicContact CG1-CE2 4.21Å; V66-Y108 HydrophobicContact CG2-CD1 4.49Å; V66-Y108 HydrophobicContact CG2-CE1 3.77Å; L104-Y108 HydrophobicContact CD2-CE2 4.45Å; L104-Y108 VanDerWaalsContact O-CD2 3.22Å; L104-Y108 WeakPolarHBondContact O-CD2 3.45Å; L104-Y108 PolarHBondContact O-N 3.31Å; D105-Y108 PolarHBondContact O-N 3.37Å; Y106-Y108 VanDerWaalsContact C-N 3.32Å; Y106-Y108 PolarHBondContact O-N 3.02Å
109	T	91	Very high	92.3	Very high	41 Å²	41	45.6 Å²	45.6	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-124.6	-15	-177.3	72.2	0	0	0	0	114.2	K39 D105 R111	K39-T109 HydrophobicContact CD-CG2 3.87Å; K39-T109 HydrophobicContact CG-CG2 4.37Å; D105-T109 VanDerWaalsContact O-CB 3.3Å; D105-T109 WeakPolarHBondContact O-CB 3.37Å; D105-T109 WeakPolarHBondContact O-CG2 3.3Å; D105-T109 PolarHBondContact O-N 3.36Å; D105-T109 PolarHBondContact O-OG1 3.22Å; D105-T109 WeakPolarHBondContact OD1-CG2 3.42Å; T109-R111 PolarHBondContact O-N 3.31Å; T109-R111 PolarHBondContact OG1-N 3.3Å; T109-R111 VanDerWaalsContact OG1-N 3.14Å; T109-R111 PolarHBondContact OG1-O 3.5Å
110	S	89.4	Confident	92.3	Very high	77 Å²	77	50.2 Å²	50.2	54%	0.538	27%	0.266	S	S	.	.	S	Bend	trans	56.7	21.6	-168.5	-53.1	0	0	0	0	114	L35 Y106	L35-S110 WeakPolarHBondContact CD2-OG 3.48Å; Y106-S110 WeakPolarHBondContact O-CA 3.31Å; Y106-S110 PolarHBondContact O-N 2.88Å
111	R	89.9	Confident	92.3	Very high	193 Å²	193	51.4 Å²	51.4	73%	0.728	28%	0.275	S	S	*	.			trans	-121.1	148.9	177.7	-62.8	178.1	-177.1	-164.1	-1	110	Y106 T109	Y106-R111 VanDerWaalsContact CA-O 3.31Å; Y106-R111 WeakPolarHBondContact CA-O 3.2Å; T109-R111 PolarHBondContact O-N 3.31Å; T109-R111 PolarHBondContact OG1-N 3.3Å; T109-R111 VanDerWaalsContact OG1-N 3.14Å; T109-R111 PolarHBondContact OG1-O 3.5Å
112	V	93.1	Very high	92.4	Very high	25 Å²	25	47.2 Å²	47.2	15%	0.152	26%	0.256	C	S	.	.			trans	-141.2	139	175	63.4	0	0	0	0	108.9	Y106 L114 L122 L134	Y106-V112 HydrophobicContact CD2-CB 4.41Å; V112-L114 HydrophobicContact CG1-CD2 4.39Å; V112-L114 HydrophobicContact CG1-CG 4.27Å; V112-L114 HydrophobicContact CG2-CD2 3.75Å; V112-L114 HydrophobicContact CG2-CG 4.3Å; V112-L122 HydrophobicContact CG2-CD2 3.63Å; V112-L134 HydrophobicContact CB-CD1 4.1Å; V112-L134 HydrophobicContact CG1-CD1 4.02Å; V112-L134 HydrophobicContact CG2-CD1 3.97Å
113	V	91.6	Very high	92.5	Very high	108 Å²	108	46.4 Å²	46.4	66%	0.655	25%	0.252	S	S	*	.			trans	-105.3	109.6	174.5	-178.4	0	0	0	0	108.2	N118	V113-N118 PolarHBondContact O-ND2 2.83Å; V113-N118 VanDerWaalsContact O-ND2 3.08Å
114	L	92.7	Very high	92.4	Very high	37 Å²	37	47.8 Å²	47.8	19%	0.194	26%	0.261	C	S	.	.			trans	-95.2	140.4	-178.5	-60.1	177.4	0	0	0	111	V112 L122 Q137 F141	V112-L114 HydrophobicContact CG1-CD2 4.39Å; V112-L114 HydrophobicContact CG1-CG 4.27Å; V112-L114 HydrophobicContact CG2-CD2 3.75Å; V112-L114 HydrophobicContact CG2-CG 4.3Å; L114-L122 HydrophobicContact CD2-CD2 3.54Å; L114-Q137 HydrophobicContact CD1-CB 4.42Å; L114-F141 HydrophobicContact CB-CD1 4.46Å; L114-F141 HydrophobicContact CB-CD2 3.87Å; L114-F141 HydrophobicContact CB-CE2 4.14Å; L114-F141 HydrophobicContact CB-CG 4.04Å; L114-F141 HydrophobicContact CD1-CB 3.72Å; L114-F141 HydrophobicContact CD1-CD2 4.36Å; L114-F141 HydrophobicContact CD1-CG 4.13Å
115	S	91.3	Very high	92.5	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	26%	0.261	S	S	.	.			trans	-140.9	164.7	174.7	66.6	0	0	0	0	110	S117 N118 V119	S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 PolarHBondContact OG-OG 2.9Å; S115-N118 PolarHBondContact N-OD1 2.89Å; S115-N118 PolarHBondContact O-N 2.97Å; S115-N118 PolarHBondContact O-OD1 2.57Å; S115-N118 VanDerWaalsContact O-OD1 3.05Å; S115-N118 PolarHBondContact OG-N 2.91Å; S115-N118 PolarHBondContact OG-ND2 3.18Å; S115-N118 PolarHBondContact OG-OD1 3.3Å; S115-V119 WeakPolarHBondContact O-CB 3.35Å; S115-V119 PolarHBondContact O-N 3.26Å
116	E	87.2	Confident	92.5	Very high	123 Å²	123	45.8 Å²	45.8	58%	0.575	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.7	-179.5	-65.5	179.6	-178.3	0	0	112.7	F141 R145	E116-F141 HydrophobicContact CG-CE1 4.4Å; E116-R145 IonicContact OE1-CZ 2.73Å; E116-R145 IonicContact OE1-NE 2.71Å; E116-R145 PolarHBondContact OE1-NE 2.83Å; E116-R145 IonicContact OE1-NH2 2.58Å; E116-R145 PolarHBondContact OE1-NH2 2.98Å
117	S	91.3	Very high	92.5	Very high	102 Å²	102	46 Å²	46	71%	0.713	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.5	177.9	56.1	0	0	0	0	113.3	S115	S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 PolarHBondContact OG-OG 2.9Å
118	N	93.4	Very high	92.4	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-22.2	-174.1	74	20.1	0	0	0	114.1	L102 V113 S115 Q120 A121 L122	L102-N118 HydrophobicContact CD1-CB 4.11Å; V113-N118 PolarHBondContact O-ND2 2.83Å; V113-N118 VanDerWaalsContact O-ND2 3.08Å; S115-N118 PolarHBondContact N-OD1 2.89Å; S115-N118 PolarHBondContact O-N 2.97Å; S115-N118 PolarHBondContact O-OD1 2.57Å; S115-N118 VanDerWaalsContact O-OD1 3.05Å; S115-N118 PolarHBondContact OG-N 2.91Å; S115-N118 PolarHBondContact OG-ND2 3.18Å; S115-N118 PolarHBondContact OG-OD1 3.3Å; N118-Q120 PolarHBondContact O-N 3.29Å; N118-A121 PolarHBondContact O-N 3.23Å; N118-L122 VanDerWaalsContact O-CB 3.25Å; N118-L122 WeakPolarHBondContact O-CB 3.25Å; N118-L122 PolarHBondContact O-N 3.4Å
119	V	93.9	Very high	92.4	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-40.3	-166.9	64.5	0	0	0	0	113.2	S115 F123 C138 F141 M142	S115-V119 WeakPolarHBondContact O-CB 3.35Å; S115-V119 PolarHBondContact O-N 3.26Å; V119-F123 VanDerWaalsContact O-CB 3.24Å; V119-F123 WeakPolarHBondContact O-CB 3.33Å; V119-F123 PolarHBondContact O-N 3.27Å; V119-C138 HydrophobicContact CG2-CB 3.83Å; V119-F141 HydrophobicContact CB-CD1 4.01Å; V119-F141 HydrophobicContact CB-CE1 4.29Å; V119-F141 HydrophobicContact CG1-CD1 4.18Å; V119-F141 HydrophobicContact CG1-CE1 4.24Å; V119-F141 HydrophobicContact CG2-CB 4.49Å; V119-F141 HydrophobicContact CG2-CD1 3.83Å; V119-M142 HydrophobicContact CG1-CG 4.17Å; V119-M142 HydrophobicContact CG2-CE 4.39Å; V119-M142 HydrophobicContact CG2-CG 3.88Å; V119-M142 HydrophobicContact CG2-SD 4.43Å
120	Q	93.1	Very high	92.6	Very high	100 Å²	100	51 Å²	51	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-68.2	-50.1	-179.8	-69.4	-178.2	-17.1	0	0	111.1	N118 L122 F123 T124 F157	N118-Q120 PolarHBondContact O-N 3.29Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 2.96Å; Q120-F123 PolarHBondContact O-N 3.17Å; Q120-T124 PolarHBondContact O-N 3.45Å; Q120-T124 PolarHBondContact O-OG1 2.97Å; Q120-F157 HydrophobicContact CB-CE2 4.26Å; Q120-F157 HydrophobicContact CB-CZ 4.44Å
121	A	93.3	Very high	92.8	Very high	24 Å²	24	47.5 Å²	47.5	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-38.1	179.1	0	0	0	0	0	111.8	S99 N118 T124 A125	S99-A121 VanDerWaalsContact OG-C 3.32Å; S99-A121 VanDerWaalsContact OG-CB 3.31Å; S99-A121 WeakPolarHBondContact OG-CB 3.11Å; S99-A121 PolarHBondContact OG-O 3.28Å; N118-A121 PolarHBondContact O-N 3.23Å; A121-T124 PolarHBondContact O-N 3.37Å; A121-A125 PolarHBondContact O-N 3.17Å
122	L	95.3	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.2	-40.3	175.7	-174.9	61.2	0	0	0	112.2	S99 L102 V103 V112 L114 N118 Q120 T124 A125 A126 L134	S99-L122 PolarHBondContact OG-N 3.4Å; L102-L122 HydrophobicContact CB-CD1 3.81Å; L102-L122 HydrophobicContact CB-CD2 4.24Å; L102-L122 HydrophobicContact CD1-CD2 4.14Å; V103-L122 HydrophobicContact CG2-CD1 3.72Å; V112-L122 HydrophobicContact CG2-CD2 3.63Å; L114-L122 HydrophobicContact CD2-CD2 3.54Å; N118-L122 VanDerWaalsContact O-CB 3.25Å; N118-L122 WeakPolarHBondContact O-CB 3.25Å; N118-L122 PolarHBondContact O-N 3.4Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 2.96Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 3.44Å; L122-A125 PolarHBondContact O-N 2.87Å; L122-A126 WeakPolarHBondContact O-CB 3.37Å; L122-A126 PolarHBondContact O-N 3.41Å; L122-L134 HydrophobicContact CD1-CD2 4Å; L122-L134 HydrophobicContact CD2-CD1 4.24Å; L122-L134 HydrophobicContact CG-CD2 4.28Å; L122-L134 HydrophobicContact CG-CG 4.48Å
123	F	95.2	Very high	92.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-43.9	175	-176	-75.1	0	0	0	111	V119 Q120 A126 S127 Q135 C138 A139 M142 F157 Y161 H163	V119-F123 VanDerWaalsContact O-CB 3.24Å; V119-F123 WeakPolarHBondContact O-CB 3.33Å; V119-F123 PolarHBondContact O-N 3.27Å; Q120-F123 PolarHBondContact O-N 3.17Å; F123-A126 PolarHBondContact O-N 3.46Å; F123-S127 PolarHBondContact O-N 2.77Å; F123-Q135 HydrophobicContact CD2-CB 4.47Å; F123-Q135 HydrophobicContact CE2-CB 4.1Å; F123-C138 HydrophobicContact CB-CB 4Å; F123-C138 HydrophobicContact CD2-CB 3.69Å; F123-C138 HydrophobicContact CG-CB 4.35Å; F123-A139 HydrophobicContact CE2-CB 4.31Å; F123-M142 HydrophobicContact CB-CE 4.35Å; F123-M142 HydrophobicContact CD2-CE 3.59Å; F123-M142 HydrophobicContact CE2-CE 4.12Å; F123-M142 HydrophobicContact CG-CE 4.09Å; F123-F157 HydrophobicContact CB-CE1 4.09Å; F123-F157 HydrophobicContact CB-CZ 3.97Å; F123-F157 AromaticContact CD1-CE1 3.31Å; F123-F157 HydrophobicContact CD1-CE1 3.31Å; F123-F157 AromaticContact CD1-CZ 3.48Å; F123-F157 HydrophobicContact CD1-CZ 3.48Å; F123-F157 VanDerWaalsContact CD1-CZ 3.48Å; F123-F157 HydrophobicContact CD2-CE1 4.33Å; F123-F157 AromaticContact CE1-CE1 3.74Å; F123-F157 HydrophobicContact CE1-CE1 3.74Å; F123-F157 HydrophobicContact CE1-CZ 4.24Å; F123-F157 AromaticContact CG-CE1 3.65Å; F123-F157 HydrophobicContact CG-CE1 3.65Å; F123-F157 AromaticContact CG-CZ 3.92Å; F123-F157 HydrophobicContact CG-CZ 3.92Å; F123-F157 HydrophobicContact CZ-CE1 4.4Å; F123-Y161 HydrophobicContact CD1-CD2 4.41Å; F123-Y161 HydrophobicContact CD1-CG 4.34Å; F123-Y161 HydrophobicContact CE1-CD1 4.32Å; F123-Y161 HydrophobicContact CE1-CD2 4.15Å; F123-Y161 AromaticContact CE1-CG 3.82Å; F123-Y161 HydrophobicContact CE1-CG 3.82Å; F123-H163 AromaticContact CE2-CD2 3.66Å; F123-H163 HydrophobicContact CZ-CB 3.95Å; F123-H163 AromaticContact CZ-CD2 3.55Å
124	T	93.4	Very high	92.9	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.184	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-49	174.2	-62.3	0	0	0	0	111.2	Q120 A121 L122 A126 S127 I128 Y161	Q120-T124 PolarHBondContact O-N 3.45Å; Q120-T124 PolarHBondContact O-OG1 2.97Å; A121-T124 PolarHBondContact O-N 3.37Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 3.44Å; T124-A126 PolarHBondContact O-N 3.48Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.26Å; T124-I128 HydrophobicContact CG2-CD1 3.95Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 2.96Å; T124-Y161 HydrophobicContact CG2-CE1 4.21Å; T124-Y161 WeakPolarHBondContact CG2-OH 3.15Å; T124-Y161 PolarHBondContact OG1-OH 2.82Å
125	A	93.8	Very high	93	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-43.3	176.9	0	0	0	0	0	112.1	V95 V103 A121 L122 S127 I128 F129	V95-A125 HydrophobicContact CG1-CB 4.01Å; V103-A125 HydrophobicContact CG2-CB 4.37Å; A121-A125 PolarHBondContact O-N 3.17Å; L122-A125 PolarHBondContact O-N 2.87Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.04Å; A125-I128 PolarHBondContact O-N 3.25Å; A125-F129 HydrophobicContact CB-CD2 4.33Å; A125-F129 HydrophobicContact CB-CE2 4.1Å; A125-F129 WeakPolarHBondContact O-CB 3.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.46Å; A125-F129 VanDerWaalsContact O-CG 3.29Å; A125-F129 WeakPolarHBondContact O-CG 3.43Å; A125-F129 PolarHBondContact O-N 3.33Å
126	A	94.3	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-33.6	177	0	0	0	0	0	112.4	L122 F123 T124 Q130 I131 L134 Q135	L122-A126 WeakPolarHBondContact O-CB 3.37Å; L122-A126 PolarHBondContact O-N 3.41Å; F123-A126 PolarHBondContact O-N 3.46Å; T124-A126 PolarHBondContact O-N 3.48Å; A126-Q130 WeakPolarHBondContact O-CA 3.35Å; A126-Q130 PolarHBondContact O-N 3.12Å; A126-I131 PolarHBondContact O-N 3.41Å; A126-L134 HydrophobicContact CB-CB 4.04Å; A126-L134 HydrophobicContact CB-CD2 3.95Å; A126-L134 HydrophobicContact CB-CG 4Å; A126-Q135 HydrophobicContact CB-CG 3.64Å
127	S	92.9	Very high	93.3	Very high	36 Å²	36	36.2 Å²	36.2	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-69	-46	173.5	-172.9	0	0	0	0	112.2	F123 T124 A125 F129 Q130	F123-S127 PolarHBondContact O-N 2.77Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.26Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.04Å; S127-F129 VanDerWaalsContact C-N 3.33Å; S127-F129 PolarHBondContact O-N 2.79Å; S127-Q130 PolarHBondContact O-N 2.99Å
128	I	92.1	Very high	93.5	Very high	57 Å²	57	31.4 Å²	31.4	29%	0.292	18%	0.176	S	C	.	.	H	α-helix	trans	-59.5	-46.2	176	-67.4	166.1	0	0	0	110.3	V95 T124 A125 Q130	V95-I128 HydrophobicContact CG2-CD1 3.89Å; T124-I128 HydrophobicContact CG2-CD1 3.95Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 2.96Å; A125-I128 PolarHBondContact O-N 3.25Å; I128-Q130 VanDerWaalsContact C-N 3.27Å; I128-Q130 PolarHBondContact O-N 3.45Å
129	F	92.8	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.1	-179.6	-57	-38.2	0	0	0	114	S71 Y73 F74 I92 V95 M100 V103 A125 S127 I131	S71-F129 WeakPolarHBondContact CB-O 3.24Å; S71-F129 PolarHBondContact OG-O 3.21Å; Y73-F129 AromaticContact CD1-CD1 3.91Å; Y73-F129 HydrophobicContact CD1-CD1 3.91Å; Y73-F129 HydrophobicContact CE1-CD1 4.15Å; Y73-F129 HydrophobicContact CE1-CE1 4.37Å; F74-F129 HydrophobicContact CE2-CB 4.42Å; F74-F129 AromaticContact CE2-CD1 3.76Å; F74-F129 HydrophobicContact CE2-CD1 3.76Å; F74-F129 HydrophobicContact CE2-CD2 4.46Å; F74-F129 HydrophobicContact CE2-CE1 4.11Å; F74-F129 AromaticContact CE2-CG 3.97Å; F74-F129 HydrophobicContact CE2-CG 3.97Å; F74-F129 AromaticContact CZ-CD1 3.72Å; F74-F129 HydrophobicContact CZ-CD1 3.72Å; F74-F129 AromaticContact CZ-CE1 3.64Å; F74-F129 HydrophobicContact CZ-CE1 3.64Å; F74-F129 HydrophobicContact CZ-CG 4.34Å; F74-F129 HydrophobicContact CZ-CZ 4.16Å; I92-F129 HydrophobicContact CD1-CE1 3.76Å; I92-F129 HydrophobicContact CD1-CZ 4.06Å; I92-F129 HydrophobicContact CG2-CE1 3.97Å; I92-F129 HydrophobicContact CG2-CZ 4.2Å; V95-F129 HydrophobicContact CG1-CE2 4.27Å; V95-F129 HydrophobicContact CG1-CZ 4.16Å; V95-F129 HydrophobicContact CG2-CZ 3.93Å; M100-F129 HydrophobicContact SD-CE2 3.7Å; M100-F129 HydrophobicContact SD-CZ 3.69Å; V103-F129 HydrophobicContact CG1-CD2 4Å; V103-F129 HydrophobicContact CG1-CE2 4.41Å; V103-F129 HydrophobicContact CG2-CD2 4.1Å; V103-F129 HydrophobicContact CG2-CE2 4.3Å; A125-F129 HydrophobicContact CB-CD2 4.33Å; A125-F129 HydrophobicContact CB-CE2 4.1Å; A125-F129 WeakPolarHBondContact O-CB 3.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.46Å; A125-F129 VanDerWaalsContact O-CG 3.29Å; A125-F129 WeakPolarHBondContact O-CG 3.43Å; A125-F129 PolarHBondContact O-N 3.33Å; S127-F129 VanDerWaalsContact C-N 3.33Å; S127-F129 PolarHBondContact O-N 2.79Å; F129-I131 HydrophobicContact CB-CD1 3.93Å; F129-I131 HydrophobicContact CB-CG1 3.99Å
130	Q	94	Very high	93.4	Very high	99 Å²	99	36 Å²	36	46%	0.463	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	54.2	179.5	-55.9	176.3	5.4	0	0	112.5	P72 A126 S127 I128 P132	P72-Q130 WeakPolarHBondContact CD-O 3.41Å; P72-Q130 HydrophobicContact CG-CB 4.41Å; A126-Q130 WeakPolarHBondContact O-CA 3.35Å; A126-Q130 PolarHBondContact O-N 3.12Å; S127-Q130 PolarHBondContact O-N 2.99Å; I128-Q130 VanDerWaalsContact C-N 3.27Å; I128-Q130 PolarHBondContact O-N 3.45Å; Q130-P132 VanDerWaalsContact O-CD 3.3Å; Q130-P132 WeakPolarHBondContact O-CD 3.36Å
131	I	94.6	Very high	93.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.184	C	C	.	.			trans	-112	85.4	178	-52.4	176.4	0	0	0	109.1	I70 V103 Y106 A126 F129 A133 L134 Q135	I70-I131 HydrophobicContact CG1-CD1 4.39Å; I70-I131 HydrophobicContact CG1-CG2 4.29Å; I70-I131 HydrophobicContact CG2-CD1 4.48Å; V103-I131 HydrophobicContact CG1-CD1 3.74Å; Y106-I131 HydrophobicContact CE1-CG2 4.07Å; A126-I131 PolarHBondContact O-N 3.41Å; F129-I131 HydrophobicContact CB-CD1 3.93Å; F129-I131 HydrophobicContact CB-CG1 3.99Å; I131-A133 VanDerWaalsContact C-N 3.34Å; I131-A133 PolarHBondContact O-N 2.87Å; I131-L134 HydrophobicContact CB-CB 4.27Å; I131-L134 HydrophobicContact CG2-CB 3.77Å; I131-L134 PolarHBondContact O-N 3.47Å; I131-L134 VanDerWaalsContact O-N 3.12Å; I131-Q135 PolarHBondContact O-N 3.21Å
132	P	91.3	Very high	93.3	Very high	77 Å²	77	32.8 Å²	32.8	50%	0.5	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-40.1	-172.7	-24.9	34.6	0	0	0	113.3	Q130 L134 Q135 D136	Q130-P132 VanDerWaalsContact O-CD 3.3Å; Q130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-L134 PolarHBondContact O-N 2.95Å; P132-L134 VanDerWaalsContact O-N 3.13Å; P132-Q135 WeakPolarHBondContact O-CA 3.1Å; P132-Q135 WeakPolarHBondContact O-CB 3.44Å; P132-Q135 PolarHBondContact O-N 3.47Å; P132-D136 VanDerWaalsContact O-CG 3.29Å; P132-D136 PolarHBondContact O-N 2.71Å
133	A	92.1	Very high	93.2	Very high	45 Å²	45	34.3 Å²	34.3	37%	0.372	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-28.4	-179.9	0	0	0	0	0	113.4	I131 Q137	I131-A133 VanDerWaalsContact C-N 3.34Å; I131-A133 PolarHBondContact O-N 2.87Å; A133-Q137 WeakPolarHBondContact O-CG 3.34Å; A133-Q137 PolarHBondContact O-N 2.93Å; A133-Q137 PolarHBondContact O-NE2 2.77Å
134	L	93.8	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-83.3	-37.5	175.5	-171.5	60.8	0	0	0	111	V103 Y106 V112 L122 A126 I131 P132 Q137 C138	V103-L134 HydrophobicContact CG2-CD2 3.88Å; Y106-L134 HydrophobicContact CD1-CD2 4.45Å; Y106-L134 HydrophobicContact CD2-CD1 4.48Å; Y106-L134 HydrophobicContact CE1-CB 4.42Å; Y106-L134 HydrophobicContact CG-CD1 4.33Å; V112-L134 HydrophobicContact CB-CD1 4.1Å; V112-L134 HydrophobicContact CG1-CD1 4.02Å; V112-L134 HydrophobicContact CG2-CD1 3.97Å; L122-L134 HydrophobicContact CD1-CD2 4Å; L122-L134 HydrophobicContact CD2-CD1 4.24Å; L122-L134 HydrophobicContact CG-CD2 4.28Å; L122-L134 HydrophobicContact CG-CG 4.48Å; A126-L134 HydrophobicContact CB-CB 4.04Å; A126-L134 HydrophobicContact CB-CD2 3.95Å; A126-L134 HydrophobicContact CB-CG 4Å; I131-L134 HydrophobicContact CB-CB 4.27Å; I131-L134 HydrophobicContact CG2-CB 3.77Å; I131-L134 PolarHBondContact O-N 3.47Å; I131-L134 VanDerWaalsContact O-N 3.12Å; P132-L134 PolarHBondContact O-N 2.95Å; P132-L134 VanDerWaalsContact O-N 3.13Å; L134-Q137 PolarHBondContact O-N 3.19Å; L134-C138 PolarHBondContact O-N 3.18Å; L134-C138 PolarHBondContact O-SG 3Å; L134-C138 VanDerWaalsContact O-SG 3.36Å
135	Q	93.1	Very high	92.5	Very high	33 Å²	33	39.4 Å²	39.4	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-45.7	172.4	-64.3	-178	-67.3	0	0	111.6	F123 A126 I131 P132 Q137 C138 A139	F123-Q135 HydrophobicContact CD2-CB 4.47Å; F123-Q135 HydrophobicContact CE2-CB 4.1Å; A126-Q135 HydrophobicContact CB-CG 3.64Å; I131-Q135 PolarHBondContact O-N 3.21Å; P132-Q135 WeakPolarHBondContact O-CA 3.1Å; P132-Q135 WeakPolarHBondContact O-CB 3.44Å; P132-Q135 PolarHBondContact O-N 3.47Å; Q135-Q137 VanDerWaalsContact C-N 3.34Å; Q135-Q137 PolarHBondContact O-N 3.05Å; Q135-C138 PolarHBondContact O-N 3.47Å; Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 3.44Å
136	D	92.4	Very high	92.3	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-62.5	-40.6	179.5	-67.2	-23.4	0	0	0	111.4	P132 A139 Q140 H163	P132-D136 VanDerWaalsContact O-CG 3.29Å; P132-D136 PolarHBondContact O-N 2.71Å; D136-A139 PolarHBondContact O-N 2.79Å; D136-Q140 WeakPolarHBondContact O-CB 3.45Å; D136-Q140 VanDerWaalsContact O-CG 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.38Å; D136-H163 IonicContact OD1-NE2 2.7Å
137	Q	93.1	Very high	91.9	Very high	65 Å²	65	41.6 Å²	41.6	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-44.5	175.7	-77.1	174.8	70.9	0	0	111.9	L114 A133 L134 Q135 A139 Q140 F141	L114-Q137 HydrophobicContact CD1-CB 4.42Å; A133-Q137 WeakPolarHBondContact O-CG 3.34Å; A133-Q137 PolarHBondContact O-N 2.93Å; A133-Q137 PolarHBondContact O-NE2 2.77Å; L134-Q137 PolarHBondContact O-N 3.19Å; Q135-Q137 VanDerWaalsContact C-N 3.34Å; Q135-Q137 PolarHBondContact O-N 3.05Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; Q137-Q140 PolarHBondContact O-N 2.69Å; Q137-F141 PolarHBondContact O-N 3.28Å
138	C	94.8	Very high	91.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-40.6	174.5	-70.5	0	0	0	0	111.8	V119 F123 L134 Q135 F141 M142	V119-C138 HydrophobicContact CG2-CB 3.83Å; F123-C138 HydrophobicContact CB-CB 4Å; F123-C138 HydrophobicContact CD2-CB 3.69Å; F123-C138 HydrophobicContact CG-CB 4.35Å; L134-C138 PolarHBondContact O-N 3.18Å; L134-C138 PolarHBondContact O-SG 3Å; L134-C138 VanDerWaalsContact O-SG 3.36Å; Q135-C138 PolarHBondContact O-N 3.47Å; C138-F141 PolarHBondContact O-N 2.97Å; C138-M142 HydrophobicContact CB-CE 4.47Å; C138-M142 WeakPolarHBondContact O-CE 3.33Å; C138-M142 WeakPolarHBondContact O-CG 3.27Å; C138-M142 PolarHBondContact O-N 3.37Å
139	A	94.3	Very high	91.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-46.4	176.1	0	0	0	0	0	111.7	F123 Q135 D136 Q137 F141 M142 I143 L166	F123-A139 HydrophobicContact CE2-CB 4.31Å; Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 3.44Å; D136-A139 PolarHBondContact O-N 2.79Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; A139-F141 VanDerWaalsContact C-N 3.3Å; A139-F141 PolarHBondContact O-N 3.26Å; A139-M142 PolarHBondContact O-N 2.83Å; A139-I143 WeakPolarHBondContact O-CD1 3.41Å; A139-I143 VanDerWaalsContact O-CG1 3.24Å; A139-I143 WeakPolarHBondContact O-CG1 3.46Å; A139-I143 PolarHBondContact O-N 3.44Å; A139-L166 HydrophobicContact CB-CB 4.27Å; A139-L166 HydrophobicContact CB-CD1 4.48Å; A139-L166 HydrophobicContact CB-CD2 4.44Å
140	Q	92.5	Very high	91.3	Very high	115 Å²	115	45.5 Å²	45.5	54%	0.537	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-40.5	176.2	-74.6	171.5	14.3	0	0	111.9	D136 Q137 I143 S144	D136-Q140 WeakPolarHBondContact O-CB 3.45Å; D136-Q140 VanDerWaalsContact O-CG 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.38Å; Q137-Q140 PolarHBondContact O-N 2.69Å; Q140-I143 PolarHBondContact O-N 3.36Å; Q140-S144 WeakPolarHBondContact O-CB 3.35Å; Q140-S144 PolarHBondContact O-N 3.38Å; Q140-S144 PolarHBondContact O-OG 3.13Å
141	F	92.1	Very high	91.2	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.197	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-49.7	174.4	-176.5	-92.8	0	0	0	111.2	L114 E116 V119 Q137 C138 A139 I143 S144 R145	L114-F141 HydrophobicContact CB-CD1 4.46Å; L114-F141 HydrophobicContact CB-CD2 3.87Å; L114-F141 HydrophobicContact CB-CE2 4.14Å; L114-F141 HydrophobicContact CB-CG 4.04Å; L114-F141 HydrophobicContact CD1-CB 3.72Å; L114-F141 HydrophobicContact CD1-CD2 4.36Å; L114-F141 HydrophobicContact CD1-CG 4.13Å; E116-F141 HydrophobicContact CG-CE1 4.4Å; V119-F141 HydrophobicContact CB-CD1 4.01Å; V119-F141 HydrophobicContact CB-CE1 4.29Å; V119-F141 HydrophobicContact CG1-CD1 4.18Å; V119-F141 HydrophobicContact CG1-CE1 4.24Å; V119-F141 HydrophobicContact CG2-CB 4.49Å; V119-F141 HydrophobicContact CG2-CD1 3.83Å; Q137-F141 PolarHBondContact O-N 3.28Å; C138-F141 PolarHBondContact O-N 2.97Å; A139-F141 VanDerWaalsContact C-N 3.3Å; A139-F141 PolarHBondContact O-N 3.26Å; F141-I143 PolarHBondContact O-N 3.02Å; F141-S144 PolarHBondContact O-N 3.03Å; F141-S144 PolarHBondContact O-OG 3.12Å; F141-R145 HydrophobicContact CE1-CG 4.38Å; F141-R145 HydrophobicContact CZ-CG 4.38Å; F141-R145 WeakPolarHBondContact O-CG 3.49Å; F141-R145 PolarHBondContact O-N 3.31Å
142	M	92.4	Very high	91.1	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-42.5	177.3	-73.1	-175	-80.4	0	0	112.4	V119 F123 C138 A139 S144 R145 L146 V154 F157 L166	V119-M142 HydrophobicContact CG1-CG 4.17Å; V119-M142 HydrophobicContact CG2-CE 4.39Å; V119-M142 HydrophobicContact CG2-CG 3.88Å; V119-M142 HydrophobicContact CG2-SD 4.43Å; F123-M142 HydrophobicContact CB-CE 4.35Å; F123-M142 HydrophobicContact CD2-CE 3.59Å; F123-M142 HydrophobicContact CE2-CE 4.12Å; F123-M142 HydrophobicContact CG-CE 4.09Å; C138-M142 HydrophobicContact CB-CE 4.47Å; C138-M142 WeakPolarHBondContact O-CE 3.33Å; C138-M142 WeakPolarHBondContact O-CG 3.27Å; C138-M142 PolarHBondContact O-N 3.37Å; A139-M142 PolarHBondContact O-N 2.83Å; M142-S144 VanDerWaalsContact C-N 3.29Å; M142-S144 PolarHBondContact O-N 3.17Å; M142-R145 CarbonylContact O-C 3.49Å; M142-R145 PolarHBondContact O-N 3.05Å; M142-L146 PolarHBondContact O-N 3.07Å; M142-V154 HydrophobicContact CB-CG1 4.24Å; M142-F157 HydrophobicContact CE-CD1 4.37Å; M142-F157 HydrophobicContact CE-CE1 4Å; M142-F157 HydrophobicContact SD-CD1 4.32Å; M142-F157 HydrophobicContact SD-CE1 4.32Å; M142-L166 HydrophobicContact CB-CD1 3.96Å; M142-L166 HydrophobicContact CE-CD2 3.57Å; M142-L166 HydrophobicContact SD-CD2 4.23Å
143	I	91.5	Very high	91.2	Very high	32 Å²	32	37.7 Å²	37.7	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-40.9	176.2	-68.7	162	0	0	0	110.9	A139 Q140 F141 R145 E165 L166 R169	A139-I143 WeakPolarHBondContact O-CD1 3.41Å; A139-I143 VanDerWaalsContact O-CG1 3.24Å; A139-I143 WeakPolarHBondContact O-CG1 3.46Å; A139-I143 PolarHBondContact O-N 3.44Å; Q140-I143 PolarHBondContact O-N 3.36Å; F141-I143 PolarHBondContact O-N 3.02Å; I143-R145 PolarHBondContact O-N 2.84Å; I143-E165 HydrophobicContact CD1-CG 4.4Å; I143-L166 HydrophobicContact CD1-CD1 4.15Å; I143-L166 HydrophobicContact CG1-CD1 3.55Å; I143-R169 HydrophobicContact CD1-CB 4.12Å; I143-R169 HydrophobicContact CD1-CG 4.02Å; I143-R169 HydrophobicContact CG1-CB 4.02Å; I143-R169 HydrophobicContact CG1-CG 4.44Å; I143-R169 HydrophobicContact CG2-CB 4.33Å
144	S	87.1	Confident	91.3	Very high	75 Å²	75	36.1 Å²	36.1	52%	0.524	19%	0.187	S	C	.	.	H	α-helix	trans	-68.7	-20.1	-178.6	74.9	0	0	0	0	113.7	Q140 F141 M142	Q140-S144 WeakPolarHBondContact O-CB 3.35Å; Q140-S144 PolarHBondContact O-N 3.38Å; Q140-S144 PolarHBondContact O-OG 3.13Å; F141-S144 PolarHBondContact O-N 3.03Å; F141-S144 PolarHBondContact O-OG 3.12Å; M142-S144 VanDerWaalsContact C-N 3.29Å; M142-S144 PolarHBondContact O-N 3.17Å
145	R	87.6	Confident	91.3	Very high	63 Å²	63	36.1 Å²	36.1	24%	0.238	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	20.5	-175.8	-57.4	-69.7	-88.3	-146.6	0.9	112.9	E116 F141 M142 I143 D147 N150 R420 D421	E116-R145 IonicContact OE1-CZ 2.73Å; E116-R145 IonicContact OE1-NE 2.71Å; E116-R145 PolarHBondContact OE1-NE 2.83Å; E116-R145 IonicContact OE1-NH2 2.58Å; E116-R145 PolarHBondContact OE1-NH2 2.98Å; F141-R145 HydrophobicContact CE1-CG 4.38Å; F141-R145 HydrophobicContact CZ-CG 4.38Å; F141-R145 WeakPolarHBondContact O-CG 3.49Å; F141-R145 PolarHBondContact O-N 3.31Å; M142-R145 CarbonylContact O-C 3.49Å; M142-R145 PolarHBondContact O-N 3.05Å; I143-R145 PolarHBondContact O-N 2.84Å; R145-D147 PolarHBondContact O-N 3.44Å; R145-N150 PolarHBondContact O-ND2 3.01Å; R145-R420 WeakPolarHBondContact CD-O 3.42Å; R145-R420 PolarHBondContact NE-O 2.75Å; R145-D421 IonicContact CZ-OD1 3.28Å; R145-D421 VanDerWaalsContact CZ-OD1 3.27Å; R145-D421 IonicContact NH1-OD1 3.26Å; R145-D421 PolarHBondContact NH1-OD1 3.3Å; R145-D421 IonicContact NH2-OD1 3.92Å; R145-D421 PolarHBondContact NH2-OD1 3.47Å
146	L	89.1	Confident	91.3	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	19%	0.188	C	C	.	.			trans	-65	127.9	176.5	-74.2	171	0	0	0	111.6	M142 N150 C151 V154 Y173	M142-L146 PolarHBondContact O-N 3.07Å; L146-N150 WeakPolarHBondContact CA-OD1 3.3Å; L146-C151 HydrophobicContact CD2-CB 4.14Å; L146-V154 HydrophobicContact CD2-CB 4.04Å; L146-V154 HydrophobicContact CD2-CG1 3.99Å; L146-V154 HydrophobicContact CD2-CG2 4.26Å; L146-Y173 HydrophobicContact CB-CD2 4Å; L146-Y173 HydrophobicContact CB-CE2 4.1Å; L146-Y173 HydrophobicContact CB-CG 4.2Å; L146-Y173 HydrophobicContact CD1-CD2 4.42Å; L146-Y173 HydrophobicContact CD1-CG 4.32Å; L146-Y173 PolarHBondContact O-OH 2.94Å
147	D	86.4	Confident	91.4	Very high	24 Å²	24	34.4 Å²	34.4	13%	0.128	18%	0.177	C	C	.	.			trans	-133	154.1	-180	-175.9	-93.8	0	0	0	108.9	R145 Q149 N150 C151 R420	R145-D147 PolarHBondContact O-N 3.44Å; D147-Q149 PolarHBondContact O-N 3.32Å; D147-Q149 VanDerWaalsContact O-N 3.07Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.38Å; D147-Q149 PolarHBondContact OD1-N 2.87Å; D147-N150 PolarHBondContact N-OD1 3.27Å; D147-N150 PolarHBondContact O-N 3.22Å; D147-N150 PolarHBondContact O-OD1 3.32Å; D147-N150 VanDerWaalsContact O-OD1 3.07Å; D147-C151 VanDerWaalsContact O-CB 3.28Å; D147-C151 WeakPolarHBondContact O-CB 3.43Å; D147-C151 PolarHBondContact O-N 3.26Å; D147-R420 IonicContact OD1-CZ 3.28Å; D147-R420 IonicContact OD1-NE 2.77Å; D147-R420 IonicContact OD1-NH2 3.55Å; D147-R420 PolarHBondContact OD1-NH2 3.29Å; D147-R420 WeakPolarHBondContact OD2-CG 3.41Å; D147-R420 IonicContact OD2-CZ 2.69Å; D147-R420 IonicContact OD2-NE 3.41Å; D147-R420 PolarHBondContact OD2-NE 3.35Å; D147-R420 IonicContact OD2-NH2 2.96Å; D147-R420 PolarHBondContact OD2-NH2 3.27Å
148	P	86.6	Confident	91.4	Very high	17 Å²	17	31.3 Å²	31.3	11%	0.11	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.3	177.6	-27.1	37.8	0	0	0	113.4	C151 Y173 C180 V181	P148-C151 PolarHBondContact O-SG 2.89Å; P148-C151 VanDerWaalsContact O-SG 3.4Å; P148-Y173 WeakPolarHBondContact CD-OH 3.34Å; P148-C180 HydrophobicContact CB-CB 4.25Å; P148-V181 HydrophobicContact CB-CG2 4.25Å
149	Q	87.7	Confident	91.3	Very high	102 Å²	102	33.4 Å²	33.4	48%	0.477	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.7	-179.9	-64.5	179.1	-12	0	0	114.4	D147	D147-Q149 PolarHBondContact O-N 3.32Å; D147-Q149 VanDerWaalsContact O-N 3.07Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.38Å; D147-Q149 PolarHBondContact OD1-N 2.87Å
150	N	90.1	Very high	91.2	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-14.4	-174.8	73.2	20.7	0	0	0	113.8	R145 L146 D147 I152 G153 V154	R145-N150 PolarHBondContact O-ND2 3.01Å; L146-N150 WeakPolarHBondContact CA-OD1 3.3Å; D147-N150 PolarHBondContact N-OD1 3.27Å; D147-N150 PolarHBondContact O-N 3.22Å; D147-N150 PolarHBondContact O-OD1 3.32Å; D147-N150 VanDerWaalsContact O-OD1 3.07Å; N150-I152 VanDerWaalsContact C-N 3.28Å; N150-I152 PolarHBondContact O-N 3.22Å; N150-G153 PolarHBondContact O-N 3.14Å; N150-V154 WeakPolarHBondContact O-CG2 3.38Å; N150-V154 PolarHBondContact O-N 3.34Å
151	C	92.6	Very high	91.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-32.2	-168.3	62.7	0	0	0	0	113.2	L146 D147 P148 F155 Y173 I174 V181	L146-C151 HydrophobicContact CD2-CB 4.14Å; D147-C151 VanDerWaalsContact O-CB 3.28Å; D147-C151 WeakPolarHBondContact O-CB 3.43Å; D147-C151 PolarHBondContact O-N 3.26Å; P148-C151 PolarHBondContact O-SG 2.89Å; P148-C151 VanDerWaalsContact O-SG 3.4Å; C151-F155 VanDerWaalsContact O-CB 3.31Å; C151-F155 WeakPolarHBondContact O-CB 3.23Å; C151-F155 PolarHBondContact O-N 2.77Å; C151-Y173 HydrophobicContact CB-CD1 3.66Å; C151-Y173 HydrophobicContact CB-CE1 4.05Å; C151-I174 HydrophobicContact CB-CG1 4.11Å; C151-V181 VanDerWaalsContact SG-CG2 3.56Å
152	I	93.3	Very high	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-46.4	178.1	-51.4	179.9	0	0	0	109.9	N150 V154 F155 M156 I174 V181 E186 F187 M190	N150-I152 VanDerWaalsContact C-N 3.28Å; N150-I152 PolarHBondContact O-N 3.22Å; I152-V154 VanDerWaalsContact C-N 3.33Å; I152-V154 PolarHBondContact O-N 3.02Å; I152-F155 WeakPolarHBondContact O-CB 3.32Å; I152-F155 PolarHBondContact O-N 3.22Å; I152-F155 VanDerWaalsContact O-N 3.14Å; I152-M156 HydrophobicContact CG2-CE 4.02Å; I152-M156 HydrophobicContact CG2-CG 4.4Å; I152-M156 HydrophobicContact CG2-SD 4.31Å; I152-M156 WeakPolarHBondContact O-CG 3.43Å; I152-M156 PolarHBondContact O-N 3.42Å; I152-I174 HydrophobicContact CG1-CD1 4.44Å; I152-V181 HydrophobicContact CD1-CG1 3.39Å; I152-V181 HydrophobicContact CG1-CG1 3.44Å; I152-V181 VanDerWaalsContact CG1-CG1 3.44Å; I152-E186 HydrophobicContact CB-CB 3.89Å; I152-E186 HydrophobicContact CD1-CB 4.18Å; I152-E186 HydrophobicContact CG2-CB 4.12Å; I152-F187 VanDerWaalsContact CD1-CA 3.41Å; I152-F187 HydrophobicContact CD1-CB 3.53Å; I152-F187 HydrophobicContact CD1-CD2 4.08Å; I152-F187 HydrophobicContact CD1-CG 4.32Å; I152-F187 VanDerWaalsContact CD1-N 3.29Å; I152-M190 HydrophobicContact CG2-CG 3.66Å; I152-M190 HydrophobicContact CG2-SD 3.83Å
153	G	92.4	Very high	91	Very high	17 Å²	17	37 Å²	37	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-46.5	173.3	0	0	0	0	0	112.3	N150 F155 M156 F157 E186	N150-G153 PolarHBondContact O-N 3.14Å; G153-F155 VanDerWaalsContact C-N 3.35Å; G153-F155 PolarHBondContact O-N 3.1Å; G153-M156 PolarHBondContact O-N 3.41Å; G153-F157 VanDerWaalsContact O-CB 3.23Å; G153-F157 WeakPolarHBondContact O-CB 3.49Å; G153-F157 PolarHBondContact O-N 3.22Å; G153-E186 WeakPolarHBondContact CA-OE2 3.34Å; G153-E186 PolarHBondContact N-OE2 2.96Å
154	V	93.8	Very high	91	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175.6	175.9	0	0	0	0	111.6	M142 L146 N150 I152 F157 A158 L166	M142-V154 HydrophobicContact CB-CG1 4.24Å; L146-V154 HydrophobicContact CD2-CB 4.04Å; L146-V154 HydrophobicContact CD2-CG1 3.99Å; L146-V154 HydrophobicContact CD2-CG2 4.26Å; N150-V154 WeakPolarHBondContact O-CG2 3.38Å; N150-V154 PolarHBondContact O-N 3.34Å; I152-V154 VanDerWaalsContact C-N 3.33Å; I152-V154 PolarHBondContact O-N 3.02Å; V154-F157 PolarHBondContact O-N 3.46Å; V154-A158 WeakPolarHBondContact O-CB 3.41Å; V154-A158 PolarHBondContact O-N 2.69Å; V154-L166 HydrophobicContact CG1-CD1 3.71Å; V154-L166 HydrophobicContact CG1-CD2 4.27Å; V154-L166 HydrophobicContact CG1-CG 4.04Å
155	F	94.9	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-48.7	175.7	169.9	-101.5	0	0	0	112.3	C151 I152 G153 F157 A158 D159 R167 S170 Q171 I174 M190 Q194 I198	C151-F155 VanDerWaalsContact O-CB 3.31Å; C151-F155 WeakPolarHBondContact O-CB 3.23Å; C151-F155 PolarHBondContact O-N 2.77Å; I152-F155 WeakPolarHBondContact O-CB 3.32Å; I152-F155 PolarHBondContact O-N 3.22Å; I152-F155 VanDerWaalsContact O-N 3.14Å; G153-F155 VanDerWaalsContact C-N 3.35Å; G153-F155 PolarHBondContact O-N 3.1Å; F155-F157 VanDerWaalsContact C-N 3.29Å; F155-F157 PolarHBondContact O-N 2.78Å; F155-A158 PolarHBondContact O-N 3.12Å; F155-D159 WeakPolarHBondContact O-CB 3.47Å; F155-D159 PolarHBondContact O-N 3.48Å; F155-R167 HydrophobicContact CD2-CG 4.07Å; F155-R167 HydrophobicContact CE2-CG 3.76Å; F155-S170 WeakPolarHBondContact CA-OG 3.5Å; F155-Q171 HydrophobicContact CD2-CB 4.08Å; F155-Q171 HydrophobicContact CE2-CB 3.98Å; F155-Q171 HydrophobicContact CE2-CG 4.15Å; F155-I174 HydrophobicContact CB-CD1 3.76Å; F155-I174 HydrophobicContact CD1-CD1 4.42Å; F155-I174 HydrophobicContact CG-CD1 4.01Å; F155-M190 HydrophobicContact CD1-CE 4.22Å; F155-M190 HydrophobicContact CE1-CE 3.87Å; F155-Q194 HydrophobicContact CE1-CB 3.9Å; F155-Q194 HydrophobicContact CE1-CG 3.92Å; F155-Q194 HydrophobicContact CZ-CG 4.45Å; F155-I198 HydrophobicContact CD1-CD1 4.4Å; F155-I198 HydrophobicContact CE1-CD1 4.16Å; F155-I198 HydrophobicContact CZ-CD1 4.35Å; F155-I198 HydrophobicContact CZ-CG1 4.43Å
156	M	93	Very high	91.6	Very high	36 Å²	36	39.4 Å²	39.4	18%	0.177	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-39.6	177.1	-69.5	-174.4	-61.8	0	0	111.3	I152 G153 D159 A160 M190	I152-M156 HydrophobicContact CG2-CE 4.02Å; I152-M156 HydrophobicContact CG2-CG 4.4Å; I152-M156 HydrophobicContact CG2-SD 4.31Å; I152-M156 WeakPolarHBondContact O-CG 3.43Å; I152-M156 PolarHBondContact O-N 3.42Å; G153-M156 PolarHBondContact O-N 3.41Å; M156-D159 PolarHBondContact O-N 3.04Å; M156-A160 WeakPolarHBondContact O-CB 3.48Å; M156-A160 PolarHBondContact O-N 3.39Å; M156-M190 HydrophobicContact SD-CG 4.31Å
157	F	93.3	Very high	91.8	Very high	30 Å²	30	42.3 Å²	42.3	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-49.5	174.6	-177.8	-92.3	0	0	0	111.4	Q120 F123 M142 G153 V154 F155 D159 A160 Y161 L166	Q120-F157 HydrophobicContact CB-CE2 4.26Å; Q120-F157 HydrophobicContact CB-CZ 4.44Å; F123-F157 HydrophobicContact CB-CE1 4.09Å; F123-F157 HydrophobicContact CB-CZ 3.97Å; F123-F157 AromaticContact CD1-CE1 3.31Å; F123-F157 HydrophobicContact CD1-CE1 3.31Å; F123-F157 AromaticContact CD1-CZ 3.48Å; F123-F157 HydrophobicContact CD1-CZ 3.48Å; F123-F157 VanDerWaalsContact CD1-CZ 3.48Å; F123-F157 HydrophobicContact CD2-CE1 4.33Å; F123-F157 AromaticContact CE1-CE1 3.74Å; F123-F157 HydrophobicContact CE1-CE1 3.74Å; F123-F157 HydrophobicContact CE1-CZ 4.24Å; F123-F157 AromaticContact CG-CE1 3.65Å; F123-F157 HydrophobicContact CG-CE1 3.65Å; F123-F157 AromaticContact CG-CZ 3.92Å; F123-F157 HydrophobicContact CG-CZ 3.92Å; F123-F157 HydrophobicContact CZ-CE1 4.4Å; M142-F157 HydrophobicContact CE-CD1 4.37Å; M142-F157 HydrophobicContact CE-CE1 4Å; M142-F157 HydrophobicContact SD-CD1 4.32Å; M142-F157 HydrophobicContact SD-CE1 4.32Å; G153-F157 VanDerWaalsContact O-CB 3.23Å; G153-F157 WeakPolarHBondContact O-CB 3.49Å; G153-F157 PolarHBondContact O-N 3.22Å; V154-F157 PolarHBondContact O-N 3.46Å; F155-F157 VanDerWaalsContact C-N 3.29Å; F155-F157 PolarHBondContact O-N 2.78Å; F157-D159 VanDerWaalsContact C-N 3.27Å; F157-D159 PolarHBondContact O-N 3.34Å; F157-A160 PolarHBondContact O-N 2.83Å; F157-Y161 HydrophobicContact CD1-CD2 4.25Å; F157-Y161 HydrophobicContact CD2-CD2 4.16Å; F157-Y161 AromaticContact CD2-CE2 3.78Å; F157-Y161 HydrophobicContact CD2-CE2 3.78Å; F157-Y161 HydrophobicContact CE1-CD2 4Å; F157-Y161 HydrophobicContact CE1-CE2 4.23Å; F157-Y161 AromaticContact CE2-CD2 3.92Å; F157-Y161 HydrophobicContact CE2-CD2 3.92Å; F157-Y161 AromaticContact CE2-CE2 3.34Å; F157-Y161 HydrophobicContact CE2-CE2 3.34Å; F157-Y161 HydrophobicContact CG-CD2 4.31Å; F157-Y161 HydrophobicContact CG-CE2 4.39Å; F157-Y161 AromaticContact CZ-CD2 3.83Å; F157-Y161 HydrophobicContact CZ-CD2 3.83Å; F157-Y161 AromaticContact CZ-CE2 3.59Å; F157-Y161 HydrophobicContact CZ-CE2 3.59Å; F157-Y161 VanDerWaalsContact O-CD2 3.32Å; F157-Y161 WeakPolarHBondContact O-CD2 3.24Å; F157-Y161 PolarHBondContact O-N 3.12Å; F157-L166 HydrophobicContact CD1-CD2 4.49Å
158	A	94.3	Very high	92.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-38	178.8	0	0	0	0	0	112.7	V154 F155 G162 H163 L166 R167	V154-A158 WeakPolarHBondContact O-CB 3.41Å; V154-A158 PolarHBondContact O-N 2.69Å; F155-A158 PolarHBondContact O-N 3.12Å; A158-G162 PolarHBondContact O-N 3.23Å; A158-H163 PolarHBondContact O-N 3.06Å; A158-L166 HydrophobicContact CB-CB 3.89Å; A158-L166 HydrophobicContact CB-CD2 3.76Å; A158-L166 HydrophobicContact CB-CG 3.66Å; A158-R167 HydrophobicContact CB-CB 3.93Å
159	D	92.6	Very high	92.4	Very high	45 Å²	45	51.5 Å²	51.5	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-43.6	176.8	-166.7	43.5	0	0	0	112	F155 M156 F157 Y161 G162 R167 Q194	F155-D159 WeakPolarHBondContact O-CB 3.47Å; F155-D159 PolarHBondContact O-N 3.48Å; M156-D159 PolarHBondContact O-N 3.04Å; F157-D159 VanDerWaalsContact C-N 3.27Å; F157-D159 PolarHBondContact O-N 3.34Å; D159-Y161 VanDerWaalsContact C-N 3.3Å; D159-Y161 PolarHBondContact O-N 3.11Å; D159-G162 PolarHBondContact O-N 3.43Å; D159-G162 VanDerWaalsContact O-N 3.14Å; D159-R167 IonicContact OD1-CZ 3.21Å; D159-R167 IonicContact OD1-NE 3.82Å; D159-R167 IonicContact OD1-NH1 3.52Å; D159-R167 PolarHBondContact OD1-NH1 3.38Å; D159-R167 IonicContact OD1-NH2 2.6Å; D159-Q194 PolarHBondContact OD2-NE2 2.84Å
160	A	91.5	Very high	92.7	Very high	82 Å²	82	46.6 Å²	46.6	68%	0.678	24%	0.243	S	C	*	.	H	α-helix	trans	-61.2	-35.6	178.3	0	0	0	0	0	113.3	M156 F157	M156-A160 WeakPolarHBondContact O-CB 3.48Å; M156-A160 PolarHBondContact O-N 3.39Å; F157-A160 PolarHBondContact O-N 2.83Å
161	Y	90.6	Very high	92.8	Very high	86 Å²	86	44.8 Å²	44.8	34%	0.337	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.1	177.4	-69.3	-84.7	0	0	0	113.9	F123 T124 F157 D159 H163	F123-Y161 HydrophobicContact CD1-CD2 4.41Å; F123-Y161 HydrophobicContact CD1-CG 4.34Å; F123-Y161 HydrophobicContact CE1-CD1 4.32Å; F123-Y161 HydrophobicContact CE1-CD2 4.15Å; F123-Y161 AromaticContact CE1-CG 3.82Å; F123-Y161 HydrophobicContact CE1-CG 3.82Å; T124-Y161 HydrophobicContact CG2-CE1 4.21Å; T124-Y161 WeakPolarHBondContact CG2-OH 3.15Å; T124-Y161 PolarHBondContact OG1-OH 2.82Å; F157-Y161 HydrophobicContact CD1-CD2 4.25Å; F157-Y161 HydrophobicContact CD2-CD2 4.16Å; F157-Y161 AromaticContact CD2-CE2 3.78Å; F157-Y161 HydrophobicContact CD2-CE2 3.78Å; F157-Y161 HydrophobicContact CE1-CD2 4Å; F157-Y161 HydrophobicContact CE1-CE2 4.23Å; F157-Y161 AromaticContact CE2-CD2 3.92Å; F157-Y161 HydrophobicContact CE2-CD2 3.92Å; F157-Y161 AromaticContact CE2-CE2 3.34Å; F157-Y161 HydrophobicContact CE2-CE2 3.34Å; F157-Y161 HydrophobicContact CG-CD2 4.31Å; F157-Y161 HydrophobicContact CG-CE2 4.39Å; F157-Y161 AromaticContact CZ-CD2 3.83Å; F157-Y161 HydrophobicContact CZ-CD2 3.83Å; F157-Y161 AromaticContact CZ-CE2 3.59Å; F157-Y161 HydrophobicContact CZ-CE2 3.59Å; F157-Y161 VanDerWaalsContact O-CD2 3.32Å; F157-Y161 WeakPolarHBondContact O-CD2 3.24Å; F157-Y161 PolarHBondContact O-N 3.12Å; D159-Y161 VanDerWaalsContact C-N 3.3Å; D159-Y161 PolarHBondContact O-N 3.11Å; Y161-H163 VanDerWaalsContact C-N 3.27Å; Y161-H163 PolarHBondContact O-N 3.13Å
162	G	89.8	Confident	92.7	Very high	54 Å²	54	47.8 Å²	47.8	56%	0.557	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	22.7	179.2	0	0	0	0	0	115	A158 D159 Q164	A158-G162 PolarHBondContact O-N 3.23Å; D159-G162 PolarHBondContact O-N 3.43Å; D159-G162 VanDerWaalsContact O-N 3.14Å; G162-Q164 PolarHBondContact O-N 3.4Å
163	H	92.1	Very high	92.6	Very high	24 Å²	24	50.6 Å²	50.6	11%	0.111	26%	0.26	C	S	.	.			trans	-81.8	100.7	-179.1	-169.6	-51.9	0	0	0	111.1	F123 D136 A158 Y161 E165 L166 R167	F123-H163 AromaticContact CE2-CD2 3.66Å; F123-H163 HydrophobicContact CZ-CB 3.95Å; F123-H163 AromaticContact CZ-CD2 3.55Å; D136-H163 IonicContact OD1-NE2 2.7Å; A158-H163 PolarHBondContact O-N 3.06Å; Y161-H163 VanDerWaalsContact C-N 3.27Å; Y161-H163 PolarHBondContact O-N 3.13Å; H163-E165 PolarHBondContact O-N 2.77Å; H163-L166 HydrophobicContact CB-CB 4.43Å; H163-L166 PolarHBondContact ND1-N 2.88Å; H163-R167 WeakPolarHBondContact O-CB 3.13Å; H163-R167 PolarHBondContact O-N 3.28Å; H163-R167 VanDerWaalsContact O-N 3.07Å
164	Q	92.1	Very high	92.6	Very high	146 Å²	146	49.9 Å²	49.9	68%	0.682	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-49	-171	-68	-176.8	-9.3	0	0	114.2	G162 L166 R167 E168	G162-Q164 PolarHBondContact O-N 3.4Å; Q164-L166 PolarHBondContact O-N 3.01Å; Q164-R167 PolarHBondContact O-N 3.12Å; Q164-E168 WeakPolarHBondContact O-CG 3.25Å; Q164-E168 PolarHBondContact O-N 2.81Å
165	E	92.6	Very high	92.4	Very high	74 Å²	74	51.3 Å²	51.3	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-46.9	-176.6	-178.7	177.5	-173.5	0	0	112.3	I143 H163 R167 E168 R169	I143-E165 HydrophobicContact CD1-CG 4.4Å; H163-E165 PolarHBondContact O-N 2.77Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 3.09Å; E165-E168 PolarHBondContact O-N 2.8Å; E165-R169 HydrophobicContact CG-CG 4.26Å; E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 WeakPolarHBondContact O-CG 3.31Å; E165-R169 PolarHBondContact O-N 2.9Å; E165-R169 IonicContact OE1-CZ 2.81Å; E165-R169 IonicContact OE1-NH1 2.75Å; E165-R169 IonicContact OE1-NH2 3.55Å; E165-R169 PolarHBondContact OE1-NH2 2.76Å
166	L	94.4	Very high	92	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-40.7	176.3	-175	62.4	0	0	0	111.7	A139 M142 I143 V154 F157 A158 H163 Q164 S170	A139-L166 HydrophobicContact CB-CB 4.27Å; A139-L166 HydrophobicContact CB-CD1 4.48Å; A139-L166 HydrophobicContact CB-CD2 4.44Å; M142-L166 HydrophobicContact CB-CD1 3.96Å; M142-L166 HydrophobicContact CE-CD2 3.57Å; M142-L166 HydrophobicContact SD-CD2 4.23Å; I143-L166 HydrophobicContact CD1-CD1 4.15Å; I143-L166 HydrophobicContact CG1-CD1 3.55Å; V154-L166 HydrophobicContact CG1-CD1 3.71Å; V154-L166 HydrophobicContact CG1-CD2 4.27Å; V154-L166 HydrophobicContact CG1-CG 4.04Å; F157-L166 HydrophobicContact CD1-CD2 4.49Å; A158-L166 HydrophobicContact CB-CB 3.89Å; A158-L166 HydrophobicContact CB-CD2 3.76Å; A158-L166 HydrophobicContact CB-CG 3.66Å; H163-L166 HydrophobicContact CB-CB 4.43Å; H163-L166 PolarHBondContact ND1-N 2.88Å; Q164-L166 PolarHBondContact O-N 3.01Å; L166-S170 VanDerWaalsContact O-CB 3.31Å; L166-S170 WeakPolarHBondContact O-CB 3.38Å; L166-S170 PolarHBondContact O-N 3.39Å; L166-S170 PolarHBondContact O-OG 2.99Å
167	R	94.4	Very high	91.7	Very high	85 Å²	85	54.9 Å²	54.9	32%	0.321	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-48.9	177.2	-178.7	179	168.6	174.9	-3.4	111.6	F155 A158 D159 H163 Q164 E165 S170 Q171	F155-R167 HydrophobicContact CD2-CG 4.07Å; F155-R167 HydrophobicContact CE2-CG 3.76Å; A158-R167 HydrophobicContact CB-CB 3.93Å; D159-R167 IonicContact OD1-CZ 3.21Å; D159-R167 IonicContact OD1-NE 3.82Å; D159-R167 IonicContact OD1-NH1 3.52Å; D159-R167 PolarHBondContact OD1-NH1 3.38Å; D159-R167 IonicContact OD1-NH2 2.6Å; H163-R167 WeakPolarHBondContact O-CB 3.13Å; H163-R167 PolarHBondContact O-N 3.28Å; H163-R167 VanDerWaalsContact O-N 3.07Å; Q164-R167 PolarHBondContact O-N 3.12Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 3.09Å; R167-S170 PolarHBondContact O-OG 2.77Å; R167-Q171 WeakPolarHBondContact O-CB 3.44Å; R167-Q171 PolarHBondContact O-N 3.23Å
168	E	92.6	Very high	91.5	Very high	116 Å²	116	53.4 Å²	53.4	54%	0.542	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-44.9	179.7	-71.6	176	178.3	0	0	111.7	Q164 E165 Q171 D172	Q164-E168 WeakPolarHBondContact O-CG 3.25Å; Q164-E168 PolarHBondContact O-N 2.81Å; E165-E168 PolarHBondContact O-N 2.8Å; E168-Q171 PolarHBondContact O-N 2.9Å; E168-D172 WeakPolarHBondContact O-CB 3.42Å; E168-D172 PolarHBondContact O-N 2.74Å
169	R	91.8	Very high	91.2	Very high	117 Å²	117	55.9 Å²	55.9	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-40.9	-179.2	-67.6	-71.9	-173.5	67.2	20.6	112.9	I143 E165 Y173	I143-R169 HydrophobicContact CD1-CB 4.12Å; I143-R169 HydrophobicContact CD1-CG 4.02Å; I143-R169 HydrophobicContact CG1-CB 4.02Å; I143-R169 HydrophobicContact CG1-CG 4.44Å; I143-R169 HydrophobicContact CG2-CB 4.33Å; E165-R169 HydrophobicContact CG-CG 4.26Å; E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 WeakPolarHBondContact O-CG 3.31Å; E165-R169 PolarHBondContact O-N 2.9Å; E165-R169 IonicContact OE1-CZ 2.81Å; E165-R169 IonicContact OE1-NH1 2.75Å; E165-R169 IonicContact OE1-NH2 3.55Å; E165-R169 PolarHBondContact OE1-NH2 2.76Å; R169-Y173 PolarHBondContact O-N 3.01Å; R169-Y173 VanDerWaalsContact O-N 3.11Å
170	S	94.4	Very high	90.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-40.4	174.4	54.3	0	0	0	0	111.2	F155 L166 R167 Y173 I174	F155-S170 WeakPolarHBondContact CA-OG 3.5Å; L166-S170 VanDerWaalsContact O-CB 3.31Å; L166-S170 WeakPolarHBondContact O-CB 3.38Å; L166-S170 PolarHBondContact O-N 3.39Å; L166-S170 PolarHBondContact O-OG 2.99Å; R167-S170 PolarHBondContact O-OG 2.77Å; S170-Y173 WeakPolarHBondContact O-CB 3.31Å; S170-Y173 PolarHBondContact O-N 3.38Å; S170-I174 VanDerWaalsContact O-CG1 3.29Å; S170-I174 WeakPolarHBondContact O-CG1 3.35Å; S170-I174 PolarHBondContact O-N 3.4Å
171	Q	93.1	Very high	90.8	Very high	18 Å²	18	51.9 Å²	51.9	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176	-166.3	176.2	16.1	0	0	112.5	F155 R167 E168 Y173 I174 R175 S197 I198	F155-Q171 HydrophobicContact CD2-CB 4.08Å; F155-Q171 HydrophobicContact CE2-CB 3.98Å; F155-Q171 HydrophobicContact CE2-CG 4.15Å; R167-Q171 WeakPolarHBondContact O-CB 3.44Å; R167-Q171 PolarHBondContact O-N 3.23Å; E168-Q171 PolarHBondContact O-N 2.9Å; Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 2.7Å; Q171-I174 PolarHBondContact O-N 2.98Å; Q171-R175 VanDerWaalsContact O-CG 3.31Å; Q171-R175 WeakPolarHBondContact O-CG 3.47Å; Q171-R175 PolarHBondContact O-N 3.24Å; Q171-S197 VanDerWaalsContact NE2-C 3.29Å; Q171-S197 PolarHBondContact NE2-O 2.98Å; Q171-S197 PolarHBondContact NE2-OG 3.44Å; Q171-I198 HydrophobicContact CG-CG1 4.17Å
172	D	90.5	Very high	90.8	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-37.3	175.5	-76.5	-13.7	0	0	0	112.2	E168 R175 K176	E168-D172 WeakPolarHBondContact O-CB 3.42Å; E168-D172 PolarHBondContact O-N 2.74Å; D172-R175 PolarHBondContact O-N 3.28Å; D172-R175 IonicContact OD1-CZ 3.47Å; D172-R175 IonicContact OD1-NH1 2.68Å; D172-R175 PolarHBondContact OD1-NH1 3.19Å; D172-K176 WeakPolarHBondContact O-CB 3.45Å; D172-K176 VanDerWaalsContact O-CG 3.24Å; D172-K176 WeakPolarHBondContact O-CG 3.41Å; D172-K176 PolarHBondContact O-N 3.31Å
173	Y	90.3	Very high	90.7	Very high	59 Å²	59	52.7 Å²	52.7	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-47.3	173.8	-171.9	-84.2	0	0	0	111.3	L146 P148 C151 R169 S170 Q171 R175 K176 K177	L146-Y173 HydrophobicContact CB-CD2 4Å; L146-Y173 HydrophobicContact CB-CE2 4.1Å; L146-Y173 HydrophobicContact CB-CG 4.2Å; L146-Y173 HydrophobicContact CD1-CD2 4.42Å; L146-Y173 HydrophobicContact CD1-CG 4.32Å; L146-Y173 PolarHBondContact O-OH 2.94Å; P148-Y173 WeakPolarHBondContact CD-OH 3.34Å; C151-Y173 HydrophobicContact CB-CD1 3.66Å; C151-Y173 HydrophobicContact CB-CE1 4.05Å; R169-Y173 PolarHBondContact O-N 3.01Å; R169-Y173 VanDerWaalsContact O-N 3.11Å; S170-Y173 WeakPolarHBondContact O-CB 3.31Å; S170-Y173 PolarHBondContact O-N 3.38Å; Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 2.7Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 3.49Å; Y173-K176 PolarHBondContact O-N 3.18Å; Y173-K177 HydrophobicContact CE1-CB 4.34Å; Y173-K177 HydrophobicContact CE1-CG 4.29Å; Y173-K177 PolarHBondContact O-N 3.39Å
174	I	92.4	Very high	90.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-44.3	177	-65.7	162.8	0	0	0	110.6	C151 I152 F155 S170 Q171 K176 K177 F178 V181 I198	C151-I174 HydrophobicContact CB-CG1 4.11Å; I152-I174 HydrophobicContact CG1-CD1 4.44Å; F155-I174 HydrophobicContact CB-CD1 3.76Å; F155-I174 HydrophobicContact CD1-CD1 4.42Å; F155-I174 HydrophobicContact CG-CD1 4.01Å; S170-I174 VanDerWaalsContact O-CG1 3.29Å; S170-I174 WeakPolarHBondContact O-CG1 3.35Å; S170-I174 PolarHBondContact O-N 3.4Å; Q171-I174 PolarHBondContact O-N 2.98Å; I174-K176 VanDerWaalsContact C-N 3.34Å; I174-K176 PolarHBondContact O-N 3.44Å; I174-K177 CarbonylContact O-C 3.57Å; I174-K177 PolarHBondContact O-N 3.08Å; I174-F178 WeakPolarHBondContact O-CA 3.49Å; I174-F178 WeakPolarHBondContact O-CB 3.42Å; I174-F178 PolarHBondContact O-N 3.38Å; I174-V181 HydrophobicContact CG1-CG1 4.32Å; I174-V181 HydrophobicContact CG2-CG1 3.94Å; I174-I198 HydrophobicContact CB-CD1 4.26Å; I174-I198 HydrophobicContact CD1-CD1 3.77Å; I174-I198 HydrophobicContact CG2-CD1 3.74Å; I174-I198 HydrophobicContact CG2-CG2 3.8Å
175	R	90.4	Very high	90.5	Very high	41 Å²	41	52.3 Å²	52.3	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-42.9	177.6	-71.2	168.5	-174.4	152.3	-5	112.2	Q171 D172 Y173 I198 S201 L204 N205	Q171-R175 VanDerWaalsContact O-CG 3.31Å; Q171-R175 WeakPolarHBondContact O-CG 3.47Å; Q171-R175 PolarHBondContact O-N 3.24Å; D172-R175 PolarHBondContact O-N 3.28Å; D172-R175 IonicContact OD1-CZ 3.47Å; D172-R175 IonicContact OD1-NH1 2.68Å; D172-R175 PolarHBondContact OD1-NH1 3.19Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 3.49Å; R175-I198 HydrophobicContact CG-CG2 4.47Å; R175-S201 PolarHBondContact NE-OG 3.44Å; R175-L204 HydrophobicContact CG-CD1 4.47Å; R175-N205 WeakPolarHBondContact O-CB 3.39Å; R175-N205 PolarHBondContact O-N 3.41Å
176	K	85.3	Confident	90.4	Very high	83 Å²	83	51.8 Å²	51.8	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-68.4	-38.2	-179.9	-73.1	171.5	-174.9	176.8	0	112.8	D172 Y173 I174 N205 E367	D172-K176 WeakPolarHBondContact O-CB 3.45Å; D172-K176 VanDerWaalsContact O-CG 3.24Å; D172-K176 WeakPolarHBondContact O-CG 3.41Å; D172-K176 PolarHBondContact O-N 3.31Å; Y173-K176 PolarHBondContact O-N 3.18Å; I174-K176 VanDerWaalsContact C-N 3.34Å; I174-K176 PolarHBondContact O-N 3.44Å; K176-N205 WeakPolarHBondContact O-CB 3.36Å; K176-N205 PolarHBondContact O-ND2 2.87Å; K176-E367 IonicContact NZ-OE1 3.81Å; K176-E367 PolarHBondContact NZ-OE1 2.82Å
177	K	86.9	Confident	90.2	Very high	28 Å²	28	51.8 Å²	51.8	12%	0.122	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	22.4	-174.9	-67.3	-67.6	-172.7	167	0	113.8	Y173 I174 L179 C180 V181 E337 D339	Y173-K177 HydrophobicContact CE1-CB 4.34Å; Y173-K177 HydrophobicContact CE1-CG 4.29Å; Y173-K177 PolarHBondContact O-N 3.39Å; I174-K177 CarbonylContact O-C 3.57Å; I174-K177 PolarHBondContact O-N 3.08Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.25Å; K177-L179 VanDerWaalsContact O-N 3.09Å; K177-C180 PolarHBondContact O-N 3.36Å; K177-V181 HydrophobicContact CB-CG2 4.2Å; K177-V181 WeakPolarHBondContact O-CG2 3.48Å; K177-V181 PolarHBondContact O-N 3.39Å; K177-E337 IonicContact NZ-OE2 3.37Å; K177-E337 PolarHBondContact NZ-OE2 3.29Å; K177-D339 VanDerWaalsContact NZ-CG 3.33Å; K177-D339 IonicContact NZ-OD1 3.2Å; K177-D339 PolarHBondContact NZ-OD1 2.93Å; K177-D339 IonicContact NZ-OD2 3.27Å; K177-D339 PolarHBondContact NZ-OD2 2.96Å
178	F	90.4	Very high	90	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-51.3	-41.4	-169.5	-177.8	-100.4	0	0	0	114.6	I174 C180 V181 S182 F187 L199 L204 V206	I174-F178 WeakPolarHBondContact O-CA 3.49Å; I174-F178 WeakPolarHBondContact O-CB 3.42Å; I174-F178 PolarHBondContact O-N 3.38Å; F178-C180 PolarHBondContact O-N 3.31Å; F178-V181 PolarHBondContact O-N 3.41Å; F178-S182 WeakPolarHBondContact O-CB 3.42Å; F178-S182 PolarHBondContact O-N 2.81Å; F178-S182 PolarHBondContact O-OG 3.37Å; F178-F187 HydrophobicContact CE2-CE2 4.06Å; F178-F187 HydrophobicContact CE2-CZ 4.4Å; F178-L199 HydrophobicContact CD2-CD2 4.44Å; F178-L199 HydrophobicContact CE1-CD2 4.44Å; F178-L199 HydrophobicContact CE2-CD2 3.4Å; F178-L199 HydrophobicContact CZ-CD2 3.4Å; F178-L204 HydrophobicContact CB-CD1 3.84Å; F178-L204 HydrophobicContact CB-CG 4.42Å; F178-L204 HydrophobicContact CD1-CD1 4.27Å; F178-L204 HydrophobicContact CD1-CD2 4.33Å; F178-L204 HydrophobicContact CD1-CG 4.35Å; F178-L204 HydrophobicContact CD2-CD1 3.64Å; F178-L204 HydrophobicContact CE1-CD2 4.35Å; F178-L204 HydrophobicContact CE2-CD1 4.26Å; F178-L204 HydrophobicContact CG-CD1 3.62Å; F178-L204 HydrophobicContact CG-CD2 4.48Å; F178-L204 HydrophobicContact CG-CG 4.16Å; F178-V206 HydrophobicContact CD1-CG2 3.32Å; F178-V206 HydrophobicContact CE1-CG2 3.82Å; F178-V206 HydrophobicContact CG-CG2 4.24Å
179	L	86.8	Confident	89.9	Confident	52 Å²	52	48.2 Å²	48.2	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-27.1	-179.1	-65.8	174.8	0	0	0	114.4	K177 K183 V206 H211	K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.25Å; K177-L179 VanDerWaalsContact O-N 3.09Å; L179-K183 WeakPolarHBondContact O-CE 3.33Å; L179-V206 HydrophobicContact CD2-CG2 4.4Å; L179-H211 HydrophobicContact CD2-CB 4.12Å
180	C	86.8	Confident	89.8	Confident	43 Å²	43	42.8 Å²	42.8	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-85.1	-46.2	174.1	-60.6	0	0	0	0	109.8	P148 K177 F178 S182 K183	P148-C180 HydrophobicContact CB-CB 4.25Å; K177-C180 PolarHBondContact O-N 3.36Å; F178-C180 PolarHBondContact O-N 3.31Å; C180-S182 VanDerWaalsContact C-N 3.33Å; C180-S182 PolarHBondContact O-N 2.98Å; C180-K183 PolarHBondContact O-N 3.16Å
181	V	90.2	Very high	89.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-35	-176.2	179.4	0	0	0	0	112.6	P148 C151 I152 I174 K177 F178 K183 E184	P148-V181 HydrophobicContact CB-CG2 4.25Å; C151-V181 VanDerWaalsContact SG-CG2 3.56Å; I152-V181 HydrophobicContact CD1-CG1 3.39Å; I152-V181 HydrophobicContact CG1-CG1 3.44Å; I152-V181 VanDerWaalsContact CG1-CG1 3.44Å; I174-V181 HydrophobicContact CG1-CG1 4.32Å; I174-V181 HydrophobicContact CG2-CG1 3.94Å; K177-V181 HydrophobicContact CB-CG2 4.2Å; K177-V181 WeakPolarHBondContact O-CG2 3.48Å; K177-V181 PolarHBondContact O-N 3.39Å; F178-V181 PolarHBondContact O-N 3.41Å; V181-K183 PolarHBondContact O-N 3.34Å; V181-K183 VanDerWaalsContact O-N 3.17Å; V181-E184 WeakPolarHBondContact O-CB 3.37Å; V181-E184 PolarHBondContact O-N 3.33Å
182	S	89.2	Confident	89.4	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.084	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.3	179.7	67.4	0	0	0	0	114.4	F178 C180 S215	F178-S182 WeakPolarHBondContact O-CB 3.42Å; F178-S182 PolarHBondContact O-N 2.81Å; F178-S182 PolarHBondContact O-OG 3.37Å; C180-S182 VanDerWaalsContact C-N 3.33Å; C180-S182 PolarHBondContact O-N 2.98Å; S182-S215 WeakPolarHBondContact CB-OG 2.93Å
183	K	89.1	Confident	89.4	Confident	144 Å²	144	49.6 Å²	49.6	63%	0.626	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-23.1	178.5	-62.2	177.2	-175.6	173	0	112.5	L179 C180 V181 R218	L179-K183 WeakPolarHBondContact O-CE 3.33Å; C180-K183 PolarHBondContact O-N 3.16Å; V181-K183 PolarHBondContact O-N 3.34Å; V181-K183 VanDerWaalsContact O-N 3.17Å; K183-R218 PolarHBondContact O-NH2 2.86Å; K183-R218 VanDerWaalsContact O-NH2 3.09Å
184	E	91.3	Very high	89.5	Confident	61 Å²	61	47.6 Å²	47.6	29%	0.285	23%	0.228	S	C	.	.	S	Bend	trans	-68.3	153.9	-175.6	-63.8	-59.5	151.8	0	0	112.5	V181 F187	V181-E184 WeakPolarHBondContact O-CB 3.37Å; V181-E184 PolarHBondContact O-N 3.33Å; E184-F187 WeakPolarHBondContact O-CB 3.42Å; E184-F187 PolarHBondContact O-N 2.96Å
185	Q	87.9	Confident	89.4	Confident	102 Å²	102	47.6 Å²	47.6	48%	0.477	23%	0.228	S	C	.	.	S	Bend	trans	-71	-33.7	-175.9	-169.8	65.1	19.4	0	0	112.4	F187 L188	Q185-F187 PolarHBondContact O-N 3Å; Q185-L188 WeakPolarHBondContact O-CB 3.26Å; Q185-L188 PolarHBondContact O-N 3.02Å; Q185-L188 VanDerWaalsContact O-N 3.1Å
186	E	89.6	Confident	89.4	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.294	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.4	-27.4	179	-63.2	-170.7	164.2	0	0	112.2	I152 G153 L188 Q189	I152-E186 HydrophobicContact CB-CB 3.89Å; I152-E186 HydrophobicContact CD1-CB 4.18Å; I152-E186 HydrophobicContact CG2-CB 4.12Å; G153-E186 WeakPolarHBondContact CA-OE2 3.34Å; G153-E186 PolarHBondContact N-OE2 2.96Å; E186-L188 PolarHBondContact O-N 3.07Å; E186-Q189 WeakPolarHBondContact O-CB 3.45Å; E186-Q189 PolarHBondContact O-N 3.07Å
187	F	91.5	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.9	176.9	-174.8	-99	0	0	0	112	I152 F178 E184 Q185 Q189 M190 L195 W219	I152-F187 VanDerWaalsContact CD1-CA 3.41Å; I152-F187 HydrophobicContact CD1-CB 3.53Å; I152-F187 HydrophobicContact CD1-CD2 4.08Å; I152-F187 HydrophobicContact CD1-CG 4.32Å; I152-F187 VanDerWaalsContact CD1-N 3.29Å; F178-F187 HydrophobicContact CE2-CE2 4.06Å; F178-F187 HydrophobicContact CE2-CZ 4.4Å; E184-F187 WeakPolarHBondContact O-CB 3.42Å; E184-F187 PolarHBondContact O-N 2.96Å; Q185-F187 PolarHBondContact O-N 3Å; F187-Q189 PolarHBondContact O-N 2.7Å; F187-M190 HydrophobicContact CD2-SD 3.94Å; F187-M190 HydrophobicContact CE2-SD 4.24Å; F187-M190 PolarHBondContact O-N 3.47Å; F187-L195 HydrophobicContact CE1-CD1 4.27Å; F187-L195 HydrophobicContact CE2-CD1 3.88Å; F187-L195 HydrophobicContact CZ-CD1 3.51Å; F187-W219 HydrophobicContact CE1-CB 4.21Å
188	L	89.6	Confident	89.8	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.047	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-73.6	-16.3	-178.7	-50.3	-178.9	0	0	0	112.6	Q185 E186 R218 H222 R227	Q185-L188 WeakPolarHBondContact O-CB 3.26Å; Q185-L188 PolarHBondContact O-N 3.02Å; Q185-L188 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.07Å; L188-R218 HydrophobicContact CD2-CB 4.49Å; L188-R218 HydrophobicContact CD2-CG 3.84Å; L188-R218 WeakPolarHBondContact CD2-O 3.44Å; L188-H222 HydrophobicContact CB-CB 4.08Å; L188-H222 HydrophobicContact CD1-CB 4.27Å; L188-R227 VanDerWaalsContact O-CZ 3.27Å; L188-R227 PolarHBondContact O-NH1 2.96Å; L188-R227 PolarHBondContact O-NH2 2.98Å
189	Q	90	Very high	89.8	Confident	117 Å²	117	42.8 Å²	42.8	55%	0.547	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-90.3	-11.9	-178.3	-61.3	-178.4	-2.8	0	0	113.3	E186 F187	E186-Q189 WeakPolarHBondContact O-CB 3.45Å; E186-Q189 PolarHBondContact O-N 3.07Å; F187-Q189 PolarHBondContact O-N 2.7Å
190	M	90.3	Very high	89.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.224	C	C	.	.			trans	-59.9	145.4	-178.7	-67.2	-176.6	69.3	0	0	112.8	I152 F155 M156 F187 Q194 I198 W219	I152-M190 HydrophobicContact CG2-CG 3.66Å; I152-M190 HydrophobicContact CG2-SD 3.83Å; F155-M190 HydrophobicContact CD1-CE 4.22Å; F155-M190 HydrophobicContact CE1-CE 3.87Å; M156-M190 HydrophobicContact SD-CG 4.31Å; F187-M190 HydrophobicContact CD2-SD 3.94Å; F187-M190 HydrophobicContact CE2-SD 4.24Å; F187-M190 PolarHBondContact O-N 3.47Å; M190-Q194 HydrophobicContact CB-CB 4.49Å; M190-Q194 HydrophobicContact CE-CB 3.8Å; M190-I198 HydrophobicContact CE-CD1 3.5Å; M190-I198 VanDerWaalsContact CE-CD1 3.5Å; M190-I198 HydrophobicContact CE-CG1 4.18Å; M190-I198 HydrophobicContact SD-CD1 4.44Å; M190-W219 PolarHBondContact O-NE1 2.76Å
191	T	90.9	Very high	89.9	Confident	62 Å²	62	43.5 Å²	43.5	38%	0.38	22%	0.216	S	C	.	.			trans	-74	165.5	170.8	81.2	0	0	0	0	111.5	E193 Q194 L195	T191-E193 PolarHBondContact O-N 3.14Å; T191-E193 PolarHBondContact OG1-OE2 2.97Å; T191-E193 VanDerWaalsContact OG1-OE2 3.07Å; T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.24Å; T191-Q194 PolarHBondContact OG1-N 3.21Å; T191-L195 WeakPolarHBondContact O-CB 3.38Å; T191-L195 PolarHBondContact O-N 3.47Å
192	K	89.1	Confident	89.7	Confident	35 Å²	35	47 Å²	47	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-47	176.4	179	-156.2	173.7	-162	0	111.7	Q194 L195 V196 W219 E233 V234	K192-Q194 VanDerWaalsContact C-N 3.33Å; K192-Q194 PolarHBondContact O-N 3.36Å; K192-L195 PolarHBondContact O-N 2.97Å; K192-V196 WeakPolarHBondContact O-CB 3.46Å; K192-V196 VanDerWaalsContact O-CG2 3.27Å; K192-V196 WeakPolarHBondContact O-CG2 3.44Å; K192-V196 PolarHBondContact O-N 2.62Å; K192-W219 HydrophobicContact CB-CH2 4.5Å; K192-E233 VanDerWaalsContact CE-CD 3.47Å; K192-E233 WeakPolarHBondContact CE-OE1 3.24Å; K192-E233 WeakPolarHBondContact CE-OE2 3.43Å; K192-E233 IonicContact NZ-OE1 2.78Å; K192-E233 PolarHBondContact NZ-OE1 2.86Å; K192-E233 IonicContact NZ-OE2 2.98Å; K192-E233 PolarHBondContact NZ-OE2 3.07Å; K192-V234 HydrophobicContact CG-CG2 3.72Å
193	E	89.9	Confident	89.4	Confident	127 Å²	127	50.9 Å²	50.9	59%	0.593	26%	0.255	S	S	*	.	H	α-helix	trans	-64.4	-42.3	-177.3	-60.4	68.5	-146.1	0	0	110.7	T191 S197	T191-E193 PolarHBondContact O-N 3.14Å; T191-E193 PolarHBondContact OG1-OE2 2.97Å; T191-E193 VanDerWaalsContact OG1-OE2 3.07Å; E193-S197 WeakPolarHBondContact O-CB 3.47Å; E193-S197 PolarHBondContact O-N 3.2Å
194	Q	91.3	Very high	89.3	Confident	18 Å²	18	44 Å²	44	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-49.7	175.4	-76	174.7	-9.7	0	0	111	F155 D159 M190 T191 K192 V196 S197 I198	F155-Q194 HydrophobicContact CE1-CB 3.9Å; F155-Q194 HydrophobicContact CE1-CG 3.92Å; F155-Q194 HydrophobicContact CZ-CG 4.45Å; D159-Q194 PolarHBondContact OD2-NE2 2.84Å; M190-Q194 HydrophobicContact CB-CB 4.49Å; M190-Q194 HydrophobicContact CE-CB 3.8Å; T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 3.23Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.24Å; T191-Q194 PolarHBondContact OG1-N 3.21Å; K192-Q194 VanDerWaalsContact C-N 3.33Å; K192-Q194 PolarHBondContact O-N 3.36Å; Q194-V196 PolarHBondContact O-N 3.4Å; Q194-S197 PolarHBondContact O-N 3.09Å; Q194-S197 PolarHBondContact O-OG 3.42Å; Q194-I198 PolarHBondContact O-N 2.87Å
195	L	91.3	Very high	89.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-49	179.3	-175.4	68.2	0	0	0	111.8	F187 T191 K192 S197 I198 L199 W219 V234	F187-L195 HydrophobicContact CE1-CD1 4.27Å; F187-L195 HydrophobicContact CE2-CD1 3.88Å; F187-L195 HydrophobicContact CZ-CD1 3.51Å; T191-L195 WeakPolarHBondContact O-CB 3.38Å; T191-L195 PolarHBondContact O-N 3.47Å; K192-L195 PolarHBondContact O-N 2.97Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.17Å; L195-I198 PolarHBondContact O-N 3.33Å; L195-I198 VanDerWaalsContact O-N 3.14Å; L195-L199 HydrophobicContact CD1-CD1 3.76Å; L195-L199 HydrophobicContact CD1-CG 4.09Å; L195-L199 HydrophobicContact CD2-CD1 4.32Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.28Å; L195-L199 WeakPolarHBondContact O-CG 3.41Å; L195-L199 PolarHBondContact O-N 2.93Å; L195-W219 HydrophobicContact CD2-CD2 3.71Å; L195-W219 HydrophobicContact CD2-CE3 3.9Å; L195-W219 HydrophobicContact CD2-CG 4.03Å; L195-W219 HydrophobicContact CD2-CZ2 4.4Å; L195-W219 HydrophobicContact CD2-CZ3 4.33Å; L195-V234 HydrophobicContact CD2-CG1 4.16Å
196	V	90.3	Very high	89	Confident	18 Å²	18	38.1 Å²	38.1	11%	0.109	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-41.5	178	168	0	0	0	0	111.2	K192 Q194 I198 L199 N200 V234 Q237	K192-V196 WeakPolarHBondContact O-CB 3.46Å; K192-V196 VanDerWaalsContact O-CG2 3.27Å; K192-V196 WeakPolarHBondContact O-CG2 3.44Å; K192-V196 PolarHBondContact O-N 2.62Å; Q194-V196 PolarHBondContact O-N 3.4Å; V196-I198 PolarHBondContact O-N 3.48Å; V196-L199 PolarHBondContact O-N 3.46Å; V196-N200 WeakPolarHBondContact O-CB 3.49Å; V196-N200 PolarHBondContact O-N 3.05Å; V196-V234 HydrophobicContact CG2-CG2 4.16Å; V196-Q237 HydrophobicContact CG1-CB 4.42Å
197	S	90.8	Very high	88.6	Confident	34 Å²	34	39.5 Å²	39.5	24%	0.238	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-30.1	179.9	81	0	0	0	0	113.1	Q171 E193 Q194 L195	Q171-S197 VanDerWaalsContact NE2-C 3.29Å; Q171-S197 PolarHBondContact NE2-O 2.98Å; Q171-S197 PolarHBondContact NE2-OG 3.44Å; E193-S197 WeakPolarHBondContact O-CB 3.47Å; E193-S197 PolarHBondContact O-N 3.2Å; Q194-S197 PolarHBondContact O-N 3.09Å; Q194-S197 PolarHBondContact O-OG 3.42Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.17Å
198	I	90.6	Very high	88.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-84	-50.9	177.6	-57.3	-166.1	0	0	0	110.6	F155 Q171 I174 R175 M190 Q194 L195 V196 N200 S201 L204	F155-I198 HydrophobicContact CD1-CD1 4.4Å; F155-I198 HydrophobicContact CE1-CD1 4.16Å; F155-I198 HydrophobicContact CZ-CD1 4.35Å; F155-I198 HydrophobicContact CZ-CG1 4.43Å; Q171-I198 HydrophobicContact CG-CG1 4.17Å; I174-I198 HydrophobicContact CB-CD1 4.26Å; I174-I198 HydrophobicContact CD1-CD1 3.77Å; I174-I198 HydrophobicContact CG2-CD1 3.74Å; I174-I198 HydrophobicContact CG2-CG2 3.8Å; R175-I198 HydrophobicContact CG-CG2 4.47Å; M190-I198 HydrophobicContact CE-CD1 3.5Å; M190-I198 VanDerWaalsContact CE-CD1 3.5Å; M190-I198 HydrophobicContact CE-CG1 4.18Å; M190-I198 HydrophobicContact SD-CD1 4.44Å; Q194-I198 PolarHBondContact O-N 2.87Å; L195-I198 PolarHBondContact O-N 3.33Å; L195-I198 VanDerWaalsContact O-N 3.14Å; V196-I198 PolarHBondContact O-N 3.48Å; I198-N200 PolarHBondContact O-N 3.41Å; I198-S201 WeakPolarHBondContact O-CB 3.24Å; I198-S201 PolarHBondContact O-N 2.9Å; I198-L204 HydrophobicContact CG2-CD1 4.37Å
199	L	89.8	Confident	88.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-75.3	-24.7	-170.4	-62.6	-174.6	0	0	0	114.4	F178 L195 V196 S201 L204 V212 I216 C238 R282	F178-L199 HydrophobicContact CD2-CD2 4.44Å; F178-L199 HydrophobicContact CE1-CD2 4.44Å; F178-L199 HydrophobicContact CE2-CD2 3.4Å; F178-L199 HydrophobicContact CZ-CD2 3.4Å; L195-L199 HydrophobicContact CD1-CD1 3.76Å; L195-L199 HydrophobicContact CD1-CG 4.09Å; L195-L199 HydrophobicContact CD2-CD1 4.32Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.28Å; L195-L199 WeakPolarHBondContact O-CG 3.41Å; L195-L199 PolarHBondContact O-N 2.93Å; V196-L199 PolarHBondContact O-N 3.46Å; L199-S201 PolarHBondContact O-N 2.88Å; L199-L204 HydrophobicContact CD2-CD2 4.18Å; L199-V212 HydrophobicContact CD1-CG1 4.25Å; L199-V212 HydrophobicContact CD2-CG1 4.25Å; L199-I216 HydrophobicContact CD1-CD1 3.79Å; L199-I216 HydrophobicContact CD1-CG1 3.49Å; L199-I216 VanDerWaalsContact CD1-CG1 3.49Å; L199-C238 HydrophobicContact CB-CB 3.77Å; L199-C238 HydrophobicContact CD1-CB 4.19Å; L199-R282 PolarHBondContact O-NH1 3.07Å; L199-R282 PolarHBondContact O-NH2 2.87Å
200	N	88.9	Confident	87.9	Confident	92 Å²	92	39.9 Å²	39.9	49%	0.492	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-9.4	177.5	-169.3	26.9	0	0	0	113	V196 I198 Q237	V196-N200 WeakPolarHBondContact O-CB 3.49Å; V196-N200 PolarHBondContact O-N 3.05Å; I198-N200 PolarHBondContact O-N 3.41Å; N200-Q237 PolarHBondContact OD1-O 3.35Å
201	S	86.9	Confident	87.8	Confident	17 Å²	17	42.5 Å²	42.5	12%	0.119	22%	0.217	C	C	.	.			trans	-73	139.1	-178	-177.2	0	0	0	0	113.3	R175 I198 L199 D203 R240 R282	R175-S201 PolarHBondContact NE-OG 3.44Å; I198-S201 WeakPolarHBondContact O-CB 3.24Å; I198-S201 PolarHBondContact O-N 2.9Å; L199-S201 PolarHBondContact O-N 2.88Å; S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 PolarHBondContact OG-N 3.22Å; S201-R240 PolarHBondContact O-NH2 3.34Å; S201-R282 PolarHBondContact O-NH1 3.26Å
202	D	85	Confident	87.6	Confident	73 Å²	73	39.5 Å²	39.5	39%	0.39	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-27.6	169.6	-71.3	-33.6	0	0	0	112.7	L204 R240 P280 R282 L283	D202-L204 PolarHBondContact O-N 3.37Å; D202-R240 IonicContact OD1-CZ 3.35Å; D202-R240 IonicContact OD1-NH1 3.87Å; D202-R240 PolarHBondContact OD1-NH1 3.42Å; D202-R240 IonicContact OD1-NH2 3.89Å; D202-R240 PolarHBondContact OD1-NH2 3.02Å; D202-P280 VanDerWaalsContact OD1-CG 3.26Å; D202-P280 WeakPolarHBondContact OD1-CG 3.28Å; D202-R282 CarbonylContact O-C 3.54Å; D202-R282 WeakPolarHBondContact O-CA 3.33Å; D202-L283 PolarHBondContact O-N 2.97Å
203	D	83.8	Confident	87.5	Confident	95 Å²	95	38.8 Å²	38.8	51%	0.508	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	8.2	-175.7	-61.9	-47.7	0	0	0	113.6	S201 N205	S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 PolarHBondContact OG-N 3.22Å; D203-N205 PolarHBondContact O-N 3.23Å
204	L	87.7	Confident	87.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-66.9	123.9	179.8	-165.9	71	0	0	0	110.7	R175 F178 I198 L199 D202 V206 V212 G284	R175-L204 HydrophobicContact CG-CD1 4.47Å; F178-L204 HydrophobicContact CB-CD1 3.84Å; F178-L204 HydrophobicContact CB-CG 4.42Å; F178-L204 HydrophobicContact CD1-CD1 4.27Å; F178-L204 HydrophobicContact CD1-CD2 4.33Å; F178-L204 HydrophobicContact CD1-CG 4.35Å; F178-L204 HydrophobicContact CD2-CD1 3.64Å; F178-L204 HydrophobicContact CE1-CD2 4.35Å; F178-L204 HydrophobicContact CE2-CD1 4.26Å; F178-L204 HydrophobicContact CG-CD1 3.62Å; F178-L204 HydrophobicContact CG-CD2 4.48Å; F178-L204 HydrophobicContact CG-CG 4.16Å; I198-L204 HydrophobicContact CG2-CD1 4.37Å; L199-L204 HydrophobicContact CD2-CD2 4.18Å; D202-L204 PolarHBondContact O-N 3.37Å; L204-V206 HydrophobicContact CD2-CG2 3.85Å; L204-V206 HydrophobicContact CG-CG2 3.87Å; L204-V206 PolarHBondContact O-N 3.22Å; L204-V212 HydrophobicContact CD2-CG2 3.79Å; L204-G284 PolarHBondContact O-N 2.84Å
205	N	85.9	Confident	87.3	Confident	38 Å²	38	36.8 Å²	36.8	20%	0.203	19%	0.187	C	C	.	.			trans	-82.7	79.2	-178.4	-172.8	24	0	0	0	111.8	R175 K176 D203 Y596	R175-N205 WeakPolarHBondContact O-CB 3.39Å; R175-N205 PolarHBondContact O-N 3.41Å; K176-N205 WeakPolarHBondContact O-CB 3.36Å; K176-N205 PolarHBondContact O-ND2 2.87Å; D203-N205 PolarHBondContact O-N 3.23Å; N205-Y596 PolarHBondContact ND2-OH 3.22Å; N205-Y596 PolarHBondContact OD1-OH 3.22Å
206	V	85.8	Confident	87.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.			trans	-131.4	130.4	-179.7	170.5	0	0	0	0	110.9	F178 L179 L204 K208 H211 V212 G284 M285	F178-V206 HydrophobicContact CD1-CG2 3.32Å; F178-V206 HydrophobicContact CE1-CG2 3.82Å; F178-V206 HydrophobicContact CG-CG2 4.24Å; L179-V206 HydrophobicContact CD2-CG2 4.4Å; L204-V206 HydrophobicContact CD2-CG2 3.85Å; L204-V206 HydrophobicContact CG-CG2 3.87Å; L204-V206 PolarHBondContact O-N 3.22Å; V206-K208 WeakPolarHBondContact CG1-O 3.41Å; V206-H211 HydrophobicContact CG1-CB 3.9Å; V206-V212 HydrophobicContact CG1-CG2 4.17Å; V206-V212 HydrophobicContact CG2-CG2 4.22Å; V206-G284 CarbonylContact O-C 3.53Å; V206-G284 VanDerWaalsContact O-CA 3.23Å; V206-G284 WeakPolarHBondContact O-CA 3.43Å; V206-M285 WeakPolarHBondContact O-CG 3.31Å; V206-M285 PolarHBondContact O-N 3.36Å
207	E	81.6	Confident	87	Confident	93 Å²	93	37.1 Å²	37.1	44%	0.435	19%	0.188	S	C	.	.	S	Bend	trans	-74.1	-31.5	-179.5	-59.3	-173.9	-169.6	0	0	112.9	K594	E207-K594 IonicContact OE1-NZ 3.83Å; E207-K594 PolarHBondContact OE1-NZ 2.84Å; E207-K594 IonicContact OE2-NZ 3.52Å; E207-K594 PolarHBondContact OE2-NZ 2.8Å
208	K	84.4	Confident	86.9	Confident	103 Å²	103	40.7 Å²	40.7	45%	0.448	20%	0.196	S	C	.	.			trans	-142.7	140.7	-177.9	-64	-173	175.3	-166.8	0	111.9	V206 E210 H211	V206-K208 WeakPolarHBondContact CG1-O 3.41Å; K208-E210 HydrophobicContact CB-CB 4.23Å; K208-E210 HydrophobicContact CB-CG 4.48Å; K208-E210 WeakPolarHBondContact CD-OE2 3.31Å; K208-E210 IonicContact NZ-OE1 3.63Å; K208-E210 IonicContact NZ-OE2 2.76Å; K208-E210 PolarHBondContact O-N 2.76Å; K208-H211 PolarHBondContact O-N 3.15Å
209	E	85.8	Confident	86.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-23.1	179.6	-162.1	66	-171.7	0	0	112.3	H211 V212 Y213 I239 R240 L243 L244 R282 M285	E209-H211 PolarHBondContact O-N 2.81Å; E209-V212 WeakPolarHBondContact O-CB 3.49Å; E209-V212 PolarHBondContact O-N 3.3Å; E209-Y213 PolarHBondContact O-N 2.64Å; E209-Y213 VanDerWaalsContact O-N 3.15Å; E209-I239 HydrophobicContact CG-CG2 4.38Å; E209-R240 HydrophobicContact CG-CB 4.33Å; E209-R240 PolarHBondContact OE1-N 2.83Å; E209-L243 HydrophobicContact CB-CB 4.19Å; E209-L244 HydrophobicContact CB-CD2 3.77Å; E209-L244 HydrophobicContact CB-CG 4.13Å; E209-L244 HydrophobicContact CG-CD2 4.06Å; E209-L244 HydrophobicContact CG-CG 4.14Å; E209-R282 IonicContact OE1-CZ 3.19Å; E209-R282 IonicContact OE1-NE 2.95Å; E209-R282 PolarHBondContact OE1-NE 2.99Å; E209-R282 IonicContact OE1-NH2 2.64Å; E209-R282 PolarHBondContact OE1-NH2 3.41Å; E209-R282 WeakPolarHBondContact OE2-CD 3.17Å; E209-R282 IonicContact OE2-CZ 3.32Å; E209-R282 IonicContact OE2-NE 3.52Å; E209-R282 PolarHBondContact OE2-NE 3.16Å; E209-R282 IonicContact OE2-NH2 2.82Å; E209-M285 HydrophobicContact CB-CE 3.74Å; E209-M285 VanDerWaalsContact N-CE 3.25Å; E209-M285 VanDerWaalsContact OE2-CE 3.26Å; E209-M285 WeakPolarHBondContact OE2-CE 3.34Å
210	E	85.6	Confident	86.7	Confident	29 Å²	29	41.2 Å²	41.2	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-49.1	-41.6	171.6	-64.9	162.8	-152.5	0	0	112.3	K208 V212 Y213 E214 L244 F248	K208-E210 HydrophobicContact CB-CB 4.23Å; K208-E210 HydrophobicContact CB-CG 4.48Å; K208-E210 WeakPolarHBondContact CD-OE2 3.31Å; K208-E210 IonicContact NZ-OE1 3.63Å; K208-E210 IonicContact NZ-OE2 2.76Å; K208-E210 PolarHBondContact O-N 2.76Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 PolarHBondContact O-N 3.33Å; E210-Y213 WeakPolarHBondContact O-CB 3.37Å; E210-Y213 PolarHBondContact O-N 3.4Å; E210-E214 WeakPolarHBondContact O-CG 3.35Å; E210-E214 PolarHBondContact O-N 3.07Å; E210-L244 HydrophobicContact CG-CD2 4.18Å; E210-F248 HydrophobicContact CB-CE2 4.42Å; E210-F248 HydrophobicContact CB-CZ 4.44Å; E210-F248 HydrophobicContact CG-CB 4.37Å; E210-F248 HydrophobicContact CG-CD1 4.09Å; E210-F248 HydrophobicContact CG-CD2 3.93Å; E210-F248 HydrophobicContact CG-CE1 4.35Å; E210-F248 HydrophobicContact CG-CE2 4.2Å; E210-F248 HydrophobicContact CG-CG 3.87Å; E210-F248 HydrophobicContact CG-CZ 4.4Å
211	H	87.7	Confident	86.5	Confident	57 Å²	57	43.6 Å²	43.6	26%	0.264	21%	0.206	S	C	.	.	H	α-helix	trans	-69.2	-30.5	-179.5	-63.5	-44.6	0	0	0	113	L179 V206 K208 E209 E214 S215	L179-H211 HydrophobicContact CD2-CB 4.12Å; V206-H211 HydrophobicContact CG1-CB 3.9Å; K208-H211 PolarHBondContact O-N 3.15Å; E209-H211 PolarHBondContact O-N 2.81Å; H211-E214 IonicContact ND1-OE2 2.89Å; H211-E214 PolarHBondContact ND1-OE2 2.95Å; H211-S215 WeakPolarHBondContact O-CB 3.39Å; H211-S215 PolarHBondContact O-N 3.09Å; H211-S215 PolarHBondContact O-OG 2.9Å
212	V	88.6	Confident	86.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-46	173.7	-179.7	0	0	0	0	109.4	L199 L204 V206 E209 E210 S215 I216	L199-V212 HydrophobicContact CD1-CG1 4.25Å; L199-V212 HydrophobicContact CD2-CG1 4.25Å; L204-V212 HydrophobicContact CD2-CG2 3.79Å; V206-V212 HydrophobicContact CG1-CG2 4.17Å; V206-V212 HydrophobicContact CG2-CG2 4.22Å; E209-V212 WeakPolarHBondContact O-CB 3.49Å; E209-V212 PolarHBondContact O-N 3.3Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 PolarHBondContact O-N 3.33Å; V212-S215 PolarHBondContact O-N 2.94Å; V212-I216 HydrophobicContact CG1-CD1 4.03Å; V212-I216 WeakPolarHBondContact O-CG1 3.43Å; V212-I216 PolarHBondContact O-N 2.77Å
213	Y	86.5	Confident	86.6	Confident	20 Å²	20	47 Å²	47	8%	0.078	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-51.3	175.1	172.8	-84.6	0	0	0	111.6	E209 E210 S215 I216 I217 F235 I239 F248 I252	E209-Y213 PolarHBondContact O-N 2.64Å; E209-Y213 VanDerWaalsContact O-N 3.15Å; E210-Y213 WeakPolarHBondContact O-CB 3.37Å; E210-Y213 PolarHBondContact O-N 3.4Å; Y213-S215 VanDerWaalsContact C-N 3.27Å; Y213-S215 PolarHBondContact O-N 2.72Å; Y213-I216 PolarHBondContact O-N 2.82Å; Y213-I216 VanDerWaalsContact O-N 3.13Å; Y213-I217 HydrophobicContact CD1-CG1 4.05Å; Y213-I217 HydrophobicContact CE1-CD1 4.34Å; Y213-I217 HydrophobicContact CE1-CG1 3.58Å; Y213-I217 HydrophobicContact CE2-CD1 4.32Å; Y213-I217 HydrophobicContact CE2-CG1 4.26Å; Y213-I217 WeakPolarHBondContact O-CG1 3.43Å; Y213-I217 PolarHBondContact O-N 2.92Å; Y213-F235 AromaticContact CD2-CE1 3.79Å; Y213-F235 HydrophobicContact CD2-CE1 3.79Å; Y213-F235 HydrophobicContact CD2-CZ 4.21Å; Y213-F235 AromaticContact CE2-CE1 3.66Å; Y213-F235 HydrophobicContact CE2-CE1 3.66Å; Y213-F235 HydrophobicContact CE2-CZ 4.05Å; Y213-I239 HydrophobicContact CD2-CD1 4.02Å; Y213-F248 AromaticContact CD1-CE1 3.75Å; Y213-F248 HydrophobicContact CD1-CE1 3.75Å; Y213-F248 AromaticContact CD1-CZ 3.58Å; Y213-F248 HydrophobicContact CD1-CZ 3.58Å; Y213-F248 HydrophobicContact CE1-CE1 4.12Å; Y213-F248 AromaticContact CE1-CZ 3.9Å; Y213-F248 HydrophobicContact CE1-CZ 3.9Å; Y213-F248 HydrophobicContact CG-CE1 4.03Å; Y213-F248 HydrophobicContact CG-CZ 4.3Å; Y213-I252 HydrophobicContact CD2-CD1 4.39Å; Y213-I252 HydrophobicContact CE2-CD1 4.03Å; Y213-I252 HydrophobicContact CE2-CG1 4.14Å; Y213-I252 HydrophobicContact CE2-CG2 4.09Å
214	E	87.6	Confident	86.3	Confident	97 Å²	97	47.6 Å²	47.6	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-58	-40.2	179.5	-73.6	172.7	165	0	0	111.9	E210 H211 I217 R218	E210-E214 WeakPolarHBondContact O-CG 3.35Å; E210-E214 PolarHBondContact O-N 3.07Å; H211-E214 IonicContact ND1-OE2 2.89Å; H211-E214 PolarHBondContact ND1-OE2 2.95Å; E214-I217 PolarHBondContact O-N 2.95Å; E214-R218 WeakPolarHBondContact O-CB 3.39Å; E214-R218 PolarHBondContact O-N 2.88Å
215	S	89.5	Confident	85.8	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-42.2	177.5	-56.3	0	0	0	0	111.8	S182 H211 V212 Y213 R218 W219	S182-S215 WeakPolarHBondContact CB-OG 2.93Å; H211-S215 WeakPolarHBondContact O-CB 3.39Å; H211-S215 PolarHBondContact O-N 3.09Å; H211-S215 PolarHBondContact O-OG 2.9Å; V212-S215 PolarHBondContact O-N 2.94Å; Y213-S215 VanDerWaalsContact C-N 3.27Å; Y213-S215 PolarHBondContact O-N 2.72Å; S215-R218 PolarHBondContact O-N 2.83Å; S215-W219 PolarHBondContact O-N 2.97Å
216	I	87.9	Confident	85.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-40.9	177.3	-64	162.5	0	0	0	110.9	L199 V212 Y213 W219 L220 L231 V234 F235 C238 I239	L199-I216 HydrophobicContact CD1-CD1 3.79Å; L199-I216 HydrophobicContact CD1-CG1 3.49Å; L199-I216 VanDerWaalsContact CD1-CG1 3.49Å; V212-I216 HydrophobicContact CG1-CD1 4.03Å; V212-I216 WeakPolarHBondContact O-CG1 3.43Å; V212-I216 PolarHBondContact O-N 2.77Å; Y213-I216 PolarHBondContact O-N 2.82Å; Y213-I216 VanDerWaalsContact O-N 3.13Å; I216-W219 PolarHBondContact O-N 2.86Å; I216-L220 PolarHBondContact O-N 2.89Å; I216-L231 HydrophobicContact CG2-CD1 4.36Å; I216-V234 HydrophobicContact CD1-CG1 4.25Å; I216-V234 HydrophobicContact CG1-CG1 4.37Å; I216-V234 HydrophobicContact CG2-CG1 4.01Å; I216-F235 HydrophobicContact CB-CE2 4.4Å; I216-F235 HydrophobicContact CG2-CD2 4.05Å; I216-F235 HydrophobicContact CG2-CE2 3.42Å; I216-F235 VanDerWaalsContact CG2-CE2 3.42Å; I216-F235 HydrophobicContact CG2-CZ 4.17Å; I216-C238 HydrophobicContact CD1-CB 4.03Å; I216-I239 HydrophobicContact CD1-CD1 3.81Å; I216-I239 HydrophobicContact CD1-CG1 3.75Å
217	I	86.4	Confident	85.3	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-44.8	176.6	-66	-60.1	0	0	0	110.7	Y213 E214 W219 L220 E221 F235 F256	Y213-I217 HydrophobicContact CD1-CG1 4.05Å; Y213-I217 HydrophobicContact CE1-CD1 4.34Å; Y213-I217 HydrophobicContact CE1-CG1 3.58Å; Y213-I217 HydrophobicContact CE2-CD1 4.32Å; Y213-I217 HydrophobicContact CE2-CG1 4.26Å; Y213-I217 WeakPolarHBondContact O-CG1 3.43Å; Y213-I217 PolarHBondContact O-N 2.92Å; E214-I217 PolarHBondContact O-N 2.95Å; I217-W219 VanDerWaalsContact C-N 3.28Å; I217-W219 PolarHBondContact O-N 2.82Å; I217-L220 WeakPolarHBondContact O-CB 3.47Å; I217-L220 PolarHBondContact O-N 2.82Å; I217-E221 HydrophobicContact CG2-CG 4.21Å; I217-E221 WeakPolarHBondContact O-CG 3.49Å; I217-E221 PolarHBondContact O-N 2.7Å; I217-F235 HydrophobicContact CD1-CZ 3.9Å; I217-F256 HydrophobicContact CD1-CD1 4.48Å; I217-F256 HydrophobicContact CD1-CE1 4.37Å; I217-F256 HydrophobicContact CD1-CZ 4.41Å
218	R	88.7	Confident	85	Confident	109 Å²	109	55 Å²	55	41%	0.411	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-40.4	175.9	-168.9	-173.4	168.8	76.8	-6.2	111.9	K183 L188 E214 S215	K183-R218 PolarHBondContact O-NH2 2.86Å; K183-R218 VanDerWaalsContact O-NH2 3.09Å; L188-R218 HydrophobicContact CD2-CB 4.49Å; L188-R218 HydrophobicContact CD2-CG 3.84Å; L188-R218 WeakPolarHBondContact CD2-O 3.44Å; E214-R218 WeakPolarHBondContact O-CB 3.39Å; E214-R218 PolarHBondContact O-N 2.88Å; S215-R218 PolarHBondContact O-N 2.83Å
219	W	90.4	Very high	84.8	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-39.7	173.6	176.1	89.7	0	0	0	112.1	F187 M190 K192 L195 S215 I216 I217 R227	F187-W219 HydrophobicContact CE1-CB 4.21Å; M190-W219 PolarHBondContact O-NE1 2.76Å; K192-W219 HydrophobicContact CB-CH2 4.5Å; L195-W219 HydrophobicContact CD2-CD2 3.71Å; L195-W219 HydrophobicContact CD2-CE3 3.9Å; L195-W219 HydrophobicContact CD2-CG 4.03Å; L195-W219 HydrophobicContact CD2-CZ2 4.4Å; L195-W219 HydrophobicContact CD2-CZ3 4.33Å; S215-W219 PolarHBondContact O-N 2.97Å; I216-W219 PolarHBondContact O-N 2.86Å; I217-W219 VanDerWaalsContact C-N 3.28Å; I217-W219 PolarHBondContact O-N 2.82Å; W219-R227 VanDerWaalsContact CD1-NH1 3.31Å; W219-R227 HydrophobicContact CH2-CB 3.95Å; W219-R227 HydrophobicContact CH2-CG 3.66Å; W219-R227 HydrophobicContact CZ2-CG 3.97Å; W219-R227 HydrophobicContact CZ3-CB 3.85Å; W219-R227 HydrophobicContact CZ3-CG 3.99Å; W219-R227 PolarHBondContact O-NH1 2.74Å
220	L	85.4	Confident	84.3	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-47	176.2	176.6	65.9	0	0	0	112.2	I216 I217 H222 D223 Q224 R227 E228 L231 F256	I216-L220 PolarHBondContact O-N 2.89Å; I217-L220 WeakPolarHBondContact O-CB 3.47Å; I217-L220 PolarHBondContact O-N 2.82Å; L220-H222 PolarHBondContact O-N 2.92Å; L220-H222 VanDerWaalsContact O-N 3.12Å; L220-D223 CarbonylContact O-C 3.57Å; L220-D223 VanDerWaalsContact O-C 3.27Å; L220-D223 PolarHBondContact O-N 3.34Å; L220-D223 VanDerWaalsContact O-N 3.12Å; L220-Q224 WeakPolarHBondContact O-CA 3.4Å; L220-Q224 PolarHBondContact O-N 3.43Å; L220-Q224 VanDerWaalsContact O-N 3.11Å; L220-R227 HydrophobicContact CD1-CB 3.74Å; L220-E228 HydrophobicContact CD1-CG 4.32Å; L220-L231 HydrophobicContact CB-CD1 4.36Å; L220-L231 HydrophobicContact CD1-CD1 4.09Å; L220-L231 HydrophobicContact CD2-CD1 3.87Å; L220-L231 HydrophobicContact CD2-CD2 3.75Å; L220-L231 HydrophobicContact CD2-CG 4.46Å; L220-L231 HydrophobicContact CG-CD1 4.32Å; L220-F256 HydrophobicContact CD2-CE1 3.67Å; L220-F256 HydrophobicContact CD2-CZ 4.01Å
221	E	86.3	Confident	83.9	Confident	141 Å²	141	54.9 Å²	54.9	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-59.3	-26.2	-176.3	-75	177	170.6	0	0	113	I217	I217-E221 HydrophobicContact CG2-CG 4.21Å; I217-E221 WeakPolarHBondContact O-CG 3.49Å; I217-E221 PolarHBondContact O-N 2.7Å
222	H	87.7	Confident	83.2	Confident	98 Å²	98	54.4 Å²	54.4	45%	0.454	30%	0.296	S	S	.	.	H	α-helix	trans	-70.5	-34.6	177.8	-177	-87.6	0	0	0	113.7	L188 L220	L188-H222 HydrophobicContact CB-CB 4.08Å; L188-H222 HydrophobicContact CD1-CB 4.27Å; L220-H222 PolarHBondContact O-N 2.92Å; L220-H222 VanDerWaalsContact O-N 3.12Å
223	D	84.4	Confident	82.7	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.342	32%	0.315	S	S	.	.	S	Bend	trans	-145	69.1	179	177	24.6	0	0	0	110.1	L220 G226 R227	L220-D223 CarbonylContact O-C 3.57Å; L220-D223 VanDerWaalsContact O-C 3.27Å; L220-D223 PolarHBondContact O-N 3.34Å; L220-D223 VanDerWaalsContact O-N 3.12Å; D223-G226 PolarHBondContact OD1-N 3.4Å; D223-R227 HydrophobicContact CB-CG 4.3Å; D223-R227 WeakPolarHBondContact O-CB 3.37Å; D223-R227 WeakPolarHBondContact O-CD 3.4Å; D223-R227 VanDerWaalsContact O-CG 3.24Å; D223-R227 WeakPolarHBondContact O-CG 3.41Å; D223-R227 PolarHBondContact O-N 3.44Å; D223-R227 VanDerWaalsContact O-N 3.13Å; D223-R227 IonicContact OD2-NE 3.75Å
224	Q	78.1	Confident	82.5	Confident	108 Å²	108	57.6 Å²	57.6	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-55.8	-50.4	-177.1	-172.1	173.7	0.2	0	0	113.7	L220 G226 R227 E228	L220-Q224 WeakPolarHBondContact O-CA 3.4Å; L220-Q224 PolarHBondContact O-N 3.43Å; L220-Q224 VanDerWaalsContact O-N 3.11Å; Q224-G226 PolarHBondContact O-N 2.98Å; Q224-R227 PolarHBondContact O-N 3.49Å; Q224-E228 HydrophobicContact CG-CG 4.05Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.34Å; Q224-E228 PolarHBondContact NE2-OE1 2.91Å; Q224-E228 WeakPolarHBondContact O-CB 3.42Å; Q224-E228 VanDerWaalsContact O-CG 3.25Å; Q224-E228 WeakPolarHBondContact O-CG 3.22Å; Q224-E228 PolarHBondContact O-N 2.92Å
225	P	77.1	Confident	82	Confident	111 Å²	111	53 Å²	53	72%	0.721	29%	0.29	S	S	*	.	H	α-helix	trans	-69.9	-31.2	-173.4	27.8	-34.3	0	0	0	113.5
226	G	79.2	Confident	81.3	Confident	45 Å²	45	55.9 Å²	55.9	46%	0.464	31%	0.31	S	S	.	.	H	α-helix	trans	-78.9	-31	177.2	0	0	0	0	0	113.6	D223 Q224	D223-G226 PolarHBondContact OD1-N 3.4Å; Q224-G226 PolarHBondContact O-N 2.98Å
227	R	82.1	Confident	80.8	Confident	27 Å²	27	59.6 Å²	59.6	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-101.1	-18.5	-168.5	-63.1	173.4	-179.6	-178.3	-3.1	114.4	L188 W219 L220 D223 Q224 A229 S230 L231	L188-R227 VanDerWaalsContact O-CZ 3.27Å; L188-R227 PolarHBondContact O-NH1 2.96Å; L188-R227 PolarHBondContact O-NH2 2.98Å; W219-R227 VanDerWaalsContact CD1-NH1 3.31Å; W219-R227 HydrophobicContact CH2-CB 3.95Å; W219-R227 HydrophobicContact CH2-CG 3.66Å; W219-R227 HydrophobicContact CZ2-CG 3.97Å; W219-R227 HydrophobicContact CZ3-CB 3.85Å; W219-R227 HydrophobicContact CZ3-CG 3.99Å; W219-R227 PolarHBondContact O-NH1 2.74Å; L220-R227 HydrophobicContact CD1-CB 3.74Å; D223-R227 HydrophobicContact CB-CG 4.3Å; D223-R227 WeakPolarHBondContact O-CB 3.37Å; D223-R227 WeakPolarHBondContact O-CD 3.4Å; D223-R227 VanDerWaalsContact O-CG 3.24Å; D223-R227 WeakPolarHBondContact O-CG 3.41Å; D223-R227 PolarHBondContact O-N 3.44Å; D223-R227 VanDerWaalsContact O-N 3.13Å; D223-R227 IonicContact OD2-NE 3.75Å; Q224-R227 PolarHBondContact O-N 3.49Å; R227-A229 PolarHBondContact O-N 3.41Å; R227-S230 PolarHBondContact O-N 3.25Å; R227-L231 PolarHBondContact O-N 3.21Å
228	E	76.3	Confident	80.6	Confident	103 Å²	103	58.5 Å²	58.5	48%	0.481	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-53.5	-39.1	176.5	-89.1	179.4	-176.8	0	0	112.8	L220 Q224 S230 L231	L220-E228 HydrophobicContact CD1-CG 4.32Å; Q224-E228 HydrophobicContact CG-CG 4.05Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.34Å; Q224-E228 PolarHBondContact NE2-OE1 2.91Å; Q224-E228 WeakPolarHBondContact O-CB 3.42Å; Q224-E228 VanDerWaalsContact O-CG 3.25Å; Q224-E228 WeakPolarHBondContact O-CG 3.22Å; Q224-E228 PolarHBondContact O-N 2.92Å; E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 2.95Å; E228-L231 WeakPolarHBondContact O-CB 3.41Å; E228-L231 PolarHBondContact O-N 3.21Å
229	A	78.4	Confident	80.3	Confident	90 Å²	90	53.9 Å²	53.9	74%	0.744	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-67.6	-30.4	178.9	0	0	0	0	0	113.5	R227	R227-A229 PolarHBondContact O-N 3.41Å
230	S	76.5	Confident	79.9	Confident	32 Å²	32	55 Å²	55	22%	0.224	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-86.9	-10.7	-178.6	-64.6	0	0	0	0	113	R227 E228 E233 V234	R227-S230 PolarHBondContact O-N 3.25Å; E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 2.95Å; S230-E233 PolarHBondContact O-N 3.31Å; S230-V234 WeakPolarHBondContact O-CG2 3.26Å; S230-V234 PolarHBondContact O-N 3.2Å; S230-V234 VanDerWaalsContact O-N 3.16Å
231	L	76.1	Confident	79.2	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-46.2	-169	-161.3	71.9	0	0	0	114.7	I216 L220 R227 E228 E233 V234 F235 F256	I216-L231 HydrophobicContact CG2-CD1 4.36Å; L220-L231 HydrophobicContact CB-CD1 4.36Å; L220-L231 HydrophobicContact CD1-CD1 4.09Å; L220-L231 HydrophobicContact CD2-CD1 3.87Å; L220-L231 HydrophobicContact CD2-CD2 3.75Å; L220-L231 HydrophobicContact CD2-CG 4.46Å; L220-L231 HydrophobicContact CG-CD1 4.32Å; R227-L231 PolarHBondContact O-N 3.21Å; E228-L231 WeakPolarHBondContact O-CB 3.41Å; E228-L231 PolarHBondContact O-N 3.21Å; L231-E233 PolarHBondContact O-N 2.93Å; L231-V234 PolarHBondContact O-N 3.24Å; L231-F235 HydrophobicContact CD1-CD2 3.66Å; L231-F235 HydrophobicContact CD1-CE2 3.3Å; L231-F235 HydrophobicContact CD1-CZ 4.38Å; L231-F235 HydrophobicContact CD2-CD2 4.46Å; L231-F235 HydrophobicContact CD2-CE2 4.11Å; L231-F235 HydrophobicContact CG-CD2 3.59Å; L231-F235 HydrophobicContact CG-CE2 3.55Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.44Å; L231-F235 PolarHBondContact O-N 2.99Å; L231-F256 HydrophobicContact CD2-CD1 3.42Å; L231-F256 VanDerWaalsContact CD2-CD1 3.42Å; L231-F256 HydrophobicContact CD2-CE1 3.33Å
232	P	73.9	Confident	78.6	Confident	47 Å²	47	51.9 Å²	51.9	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-34	-178.3	-22	34.4	0	0	0	112.7	S236 A259	P232-S236 WeakPolarHBondContact O-CB 3.32Å; P232-S236 PolarHBondContact O-N 3.23Å; P232-S236 PolarHBondContact O-OG 3.09Å; P232-A259 HydrophobicContact CB-CB 4.22Å; P232-A259 HydrophobicContact CG-CB 4.25Å
233	E	78.1	Confident	78.1	Confident	86 Å²	86	49.5 Å²	49.5	40%	0.402	29%	0.29	S	S	.	.	H	α-helix	trans	-71.4	-44.2	177.1	-166.2	179.5	145.8	0	0	111.9	K192 S230 L231 F235 S236 Q237	K192-E233 VanDerWaalsContact CE-CD 3.47Å; K192-E233 WeakPolarHBondContact CE-OE1 3.24Å; K192-E233 WeakPolarHBondContact CE-OE2 3.43Å; K192-E233 IonicContact NZ-OE1 2.78Å; K192-E233 PolarHBondContact NZ-OE1 2.86Å; K192-E233 IonicContact NZ-OE2 2.98Å; K192-E233 PolarHBondContact NZ-OE2 3.07Å; S230-E233 PolarHBondContact O-N 3.31Å; L231-E233 PolarHBondContact O-N 2.93Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.18Å; E233-S236 PolarHBondContact O-N 2.99Å; E233-S236 PolarHBondContact O-OG 3.11Å; E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 WeakPolarHBondContact O-CG 3.36Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; E233-Q237 PolarHBondContact OE1-NE2 2.89Å
234	V	81.9	Confident	77.8	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175.7	175.9	0	0	0	0	110.2	K192 L195 V196 I216 S230 L231 Q237 C238	K192-V234 HydrophobicContact CG-CG2 3.72Å; L195-V234 HydrophobicContact CD2-CG1 4.16Å; V196-V234 HydrophobicContact CG2-CG2 4.16Å; I216-V234 HydrophobicContact CD1-CG1 4.25Å; I216-V234 HydrophobicContact CG1-CG1 4.37Å; I216-V234 HydrophobicContact CG2-CG1 4.01Å; S230-V234 WeakPolarHBondContact O-CG2 3.26Å; S230-V234 PolarHBondContact O-N 3.2Å; S230-V234 VanDerWaalsContact O-N 3.16Å; L231-V234 PolarHBondContact O-N 3.24Å; V234-Q237 PolarHBondContact O-N 3.32Å; V234-C238 WeakPolarHBondContact O-CB 3.36Å; V234-C238 PolarHBondContact O-N 3.21Å; V234-C238 PolarHBondContact O-SG 3.14Å
235	F	78.4	Confident	77.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-47.2	-179.7	-89.2	-114.5	0	0	0	112.2	Y213 I216 I217 L231 E233 Q237 I239 L260	Y213-F235 AromaticContact CD2-CE1 3.79Å; Y213-F235 HydrophobicContact CD2-CE1 3.79Å; Y213-F235 HydrophobicContact CD2-CZ 4.21Å; Y213-F235 AromaticContact CE2-CE1 3.66Å; Y213-F235 HydrophobicContact CE2-CE1 3.66Å; Y213-F235 HydrophobicContact CE2-CZ 4.05Å; I216-F235 HydrophobicContact CB-CE2 4.4Å; I216-F235 HydrophobicContact CG2-CD2 4.05Å; I216-F235 HydrophobicContact CG2-CE2 3.42Å; I216-F235 VanDerWaalsContact CG2-CE2 3.42Å; I216-F235 HydrophobicContact CG2-CZ 4.17Å; I217-F235 HydrophobicContact CD1-CZ 3.9Å; L231-F235 HydrophobicContact CD1-CD2 3.66Å; L231-F235 HydrophobicContact CD1-CE2 3.3Å; L231-F235 HydrophobicContact CD1-CZ 4.38Å; L231-F235 HydrophobicContact CD2-CD2 4.46Å; L231-F235 HydrophobicContact CD2-CE2 4.11Å; L231-F235 HydrophobicContact CG-CD2 3.59Å; L231-F235 HydrophobicContact CG-CE2 3.55Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.44Å; L231-F235 PolarHBondContact O-N 2.99Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.18Å; F235-Q237 VanDerWaalsContact C-N 3.31Å; F235-Q237 PolarHBondContact O-N 2.85Å; F235-I239 HydrophobicContact CB-CD1 4.33Å; F235-I239 HydrophobicContact CD1-CD1 3.29Å; F235-I239 HydrophobicContact CD2-CD1 4.29Å; F235-I239 HydrophobicContact CE1-CD1 3.44Å; F235-I239 VanDerWaalsContact CE1-CD1 3.44Å; F235-I239 HydrophobicContact CE2-CD1 4.41Å; F235-I239 HydrophobicContact CG-CD1 3.75Å; F235-I239 HydrophobicContact CZ-CD1 4.03Å; F235-I239 PolarHBondContact O-N 2.68Å; F235-L260 HydrophobicContact CB-CD2 4.16Å; F235-L260 HydrophobicContact CD1-CD1 4.19Å; F235-L260 HydrophobicContact CD1-CD2 3.55Å; F235-L260 HydrophobicContact CD1-CG 3.7Å; F235-L260 HydrophobicContact CE1-CD1 4.41Å; F235-L260 HydrophobicContact CE1-CD2 4.44Å; F235-L260 HydrophobicContact CE1-CG 4.38Å; F235-L260 HydrophobicContact CG-CD2 4.35Å
236	S	73.7	Confident	77.5	Confident	68 Å²	68	48.9 Å²	48.9	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-32.5	179.9	59.5	0	0	0	0	113.8	P232 E233	P232-S236 WeakPolarHBondContact O-CB 3.32Å; P232-S236 PolarHBondContact O-N 3.23Å; P232-S236 PolarHBondContact O-OG 3.09Å; E233-S236 PolarHBondContact O-N 2.99Å; E233-S236 PolarHBondContact O-OG 3.11Å
237	Q	78.1	Confident	77.3	Confident	77 Å²	77	49.6 Å²	49.6	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-87.7	-31.3	-179.6	-66	-178.7	24.1	0	0	113.1	V196 N200 E233 V234 F235	V196-Q237 HydrophobicContact CG1-CB 4.42Å; N200-Q237 PolarHBondContact OD1-O 3.35Å; E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 WeakPolarHBondContact O-CG 3.36Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; E233-Q237 PolarHBondContact OE1-NE2 2.89Å; V234-Q237 PolarHBondContact O-N 3.32Å; F235-Q237 VanDerWaalsContact C-N 3.31Å; F235-Q237 PolarHBondContact O-N 2.85Å
238	C	81.9	Confident	77	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-102.5	-29.9	-169.5	-57.9	0	0	0	0	114	L199 I216 V234 R282	L199-C238 HydrophobicContact CB-CB 3.77Å; L199-C238 HydrophobicContact CD1-CB 4.19Å; I216-C238 HydrophobicContact CD1-CB 4.03Å; V234-C238 WeakPolarHBondContact O-CB 3.36Å; V234-C238 PolarHBondContact O-N 3.21Å; V234-C238 PolarHBondContact O-SG 3.14Å; C238-R282 PolarHBondContact O-NH2 3.31Å
239	I	81.9	Confident	76.7	Confident	13 Å²	13	46.7 Å²	46.7	7%	0.067	27%	0.269	C	S	.	.			trans	-99.7	123.2	-172.4	-65.8	165.3	0	0	0	111.2	E209 Y213 I216 F235 L241 L244 L260	E209-I239 HydrophobicContact CG-CG2 4.38Å; Y213-I239 HydrophobicContact CD2-CD1 4.02Å; I216-I239 HydrophobicContact CD1-CD1 3.81Å; I216-I239 HydrophobicContact CD1-CG1 3.75Å; F235-I239 HydrophobicContact CB-CD1 4.33Å; F235-I239 HydrophobicContact CD1-CD1 3.29Å; F235-I239 HydrophobicContact CD2-CD1 4.29Å; F235-I239 HydrophobicContact CE1-CD1 3.44Å; F235-I239 VanDerWaalsContact CE1-CD1 3.44Å; F235-I239 HydrophobicContact CE2-CD1 4.41Å; F235-I239 HydrophobicContact CG-CD1 3.75Å; F235-I239 HydrophobicContact CZ-CD1 4.03Å; F235-I239 PolarHBondContact O-N 2.68Å; I239-L241 HydrophobicContact CG2-CD2 4.41Å; I239-L241 PolarHBondContact O-N 3.24Å; I239-L244 HydrophobicContact CG2-CD1 3.89Å; I239-L260 HydrophobicContact CB-CD2 4.3Å; I239-L260 HydrophobicContact CD1-CD2 4.32Å; I239-L260 HydrophobicContact CG2-CD2 4.15Å
240	R	81.4	Confident	76.2	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.098	27%	0.266	C	S	.	.			trans	-87.9	82.8	175	-62.3	173.9	-165.4	-165.9	-0.9	110.2	S201 D202 E209 P242 L243 P280	S201-R240 PolarHBondContact O-NH2 3.34Å; D202-R240 IonicContact OD1-CZ 3.35Å; D202-R240 IonicContact OD1-NH1 3.87Å; D202-R240 PolarHBondContact OD1-NH1 3.42Å; D202-R240 IonicContact OD1-NH2 3.89Å; D202-R240 PolarHBondContact OD1-NH2 3.02Å; E209-R240 HydrophobicContact CG-CB 4.33Å; E209-R240 PolarHBondContact OE1-N 2.83Å; R240-P242 VanDerWaalsContact C-N 3.3Å; R240-P242 VanDerWaalsContact O-N 3.13Å; R240-L243 HydrophobicContact CB-CB 4.34Å; R240-L243 HydrophobicContact CB-CD1 3.74Å; R240-L243 HydrophobicContact CB-CG 4.08Å; R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 WeakPolarHBondContact O-CB 3.44Å; R240-L243 PolarHBondContact O-N 3.36Å; R240-P280 PolarHBondContact NH1-O 3.02Å
241	L	71.3	Confident	76	Confident	39 Å²	39	54.7 Å²	54.7	20%	0.204	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-44.9	-42.1	180	-77.1	174.5	0	0	0	115.7	I239 L243 L244 L249 L260	I239-L241 HydrophobicContact CG2-CD2 4.41Å; I239-L241 PolarHBondContact O-N 3.24Å; L241-L243 PolarHBondContact O-N 3.02Å; L241-L243 VanDerWaalsContact O-N 3.11Å; L241-L244 HydrophobicContact CD2-CD1 3.95Å; L241-L244 PolarHBondContact O-N 3.49Å; L241-L249 HydrophobicContact CD2-CD2 4.29Å; L241-L260 HydrophobicContact CD1-CB 4.09Å; L241-L260 HydrophobicContact CD1-CD2 4.19Å; L241-L260 WeakPolarHBondContact CD1-O 3.43Å; L241-L260 HydrophobicContact CD2-CB 4.09Å; L241-L260 HydrophobicContact CD2-CD1 3.92Å; L241-L260 HydrophobicContact CD2-CD2 3.56Å; L241-L260 HydrophobicContact CD2-CG 4.05Å; L241-L260 HydrophobicContact CG-CD2 3.94Å
242	P	73.1	Confident	75.7	Confident	44 Å²	44	55 Å²	55	29%	0.286	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.5	179.6	-21.7	34.7	0	0	0	114.7	R240	R240-P242 VanDerWaalsContact C-N 3.3Å; R240-P242 VanDerWaalsContact O-N 3.13Å
243	L	77.3	Confident	75.4	Confident	48 Å²	48	55.7 Å²	55.7	25%	0.251	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-101.5	0.4	-178.4	-56.7	178	0	0	0	112.9	E209 R240 L241 Q281 M285	E209-L243 HydrophobicContact CB-CB 4.19Å; R240-L243 HydrophobicContact CB-CB 4.34Å; R240-L243 HydrophobicContact CB-CD1 3.74Å; R240-L243 HydrophobicContact CB-CG 4.08Å; R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 WeakPolarHBondContact O-CB 3.44Å; R240-L243 PolarHBondContact O-N 3.36Å; L241-L243 PolarHBondContact O-N 3.02Å; L241-L243 VanDerWaalsContact O-N 3.11Å; L243-Q281 HydrophobicContact CD2-CG 4.31Å; L243-M285 HydrophobicContact CB-CE 4.17Å; L243-M285 HydrophobicContact CB-SD 4.46Å; L243-M285 HydrophobicContact CD1-CE 4.09Å; L243-M285 HydrophobicContact CD1-SD 3.74Å
244	L	78.8	Confident	74.4	Confident	13 Å²	13	55 Å²	55	7%	0.068	31%	0.305	C	S	.	.	S	Bend	trans	-84.8	140.1	173.5	-72.3	169.1	0	0	0	110.6	E209 E210 I239 L241 F248 L249 I252	E209-L244 HydrophobicContact CB-CD2 3.77Å; E209-L244 HydrophobicContact CB-CG 4.13Å; E209-L244 HydrophobicContact CG-CD2 4.06Å; E209-L244 HydrophobicContact CG-CG 4.14Å; E210-L244 HydrophobicContact CG-CD2 4.18Å; I239-L244 HydrophobicContact CG2-CD1 3.89Å; L241-L244 HydrophobicContact CD2-CD1 3.95Å; L241-L244 PolarHBondContact O-N 3.49Å; L244-F248 HydrophobicContact CD2-CD1 4.04Å; L244-F248 HydrophobicContact CD2-CE1 4.29Å; L244-L249 HydrophobicContact CB-CD2 3.91Å; L244-L249 HydrophobicContact CB-CG 4.09Å; L244-L249 HydrophobicContact CD1-CD2 3.8Å; L244-I252 HydrophobicContact CD1-CD1 4.44Å
245	D	77.5	Confident	73.3	Confident	92 Å²	92	59.4 Å²	59.4	49%	0.492	33%	0.334	S	S	.	.			trans	-65.9	141.4	175.7	-170.1	15.7	0	0	0	111.3	A247 F248 L249	D245-A247 VanDerWaalsContact C-N 3.26Å; D245-A247 PolarHBondContact O-N 2.66Å; D245-F248 HydrophobicContact CB-CB 4.29Å; D245-F248 WeakPolarHBondContact O-CB 3.31Å; D245-F248 PolarHBondContact O-N 3.41Å; D245-L249 PolarHBondContact O-N 3.33Å
246	E	71.2	Confident	72.4	Confident	165 Å²	165	61.7 Å²	61.7	77%	0.771	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-36.3	-177.4	-69.9	-168.7	165	0	0	111.6	F248 L249 S250	E246-F248 VanDerWaalsContact C-N 3.29Å; E246-F248 PolarHBondContact O-N 3.34Å; E246-L249 PolarHBondContact O-N 3.39Å; E246-S250 PolarHBondContact O-N 2.97Å
247	A	75.6	Confident	71.5	Confident	60 Å²	60	59.8 Å²	59.8	50%	0.496	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-36.3	175.1	0	0	0	0	0	111.7	D245 S250	D245-A247 VanDerWaalsContact C-N 3.26Å; D245-A247 PolarHBondContact O-N 2.66Å; A247-S250 PolarHBondContact O-OG 3.05Å
248	F	75.3	Confident	70.1	Confident	18 Å²	18	60.4 Å²	60.4	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-73	-41.1	178.2	-171	-95	0	0	0	111.8	E210 Y213 L244 D245 E246 S250 R251 I252	E210-F248 HydrophobicContact CB-CE2 4.42Å; E210-F248 HydrophobicContact CB-CZ 4.44Å; E210-F248 HydrophobicContact CG-CB 4.37Å; E210-F248 HydrophobicContact CG-CD1 4.09Å; E210-F248 HydrophobicContact CG-CD2 3.93Å; E210-F248 HydrophobicContact CG-CE1 4.35Å; E210-F248 HydrophobicContact CG-CE2 4.2Å; E210-F248 HydrophobicContact CG-CG 3.87Å; E210-F248 HydrophobicContact CG-CZ 4.4Å; Y213-F248 AromaticContact CD1-CE1 3.75Å; Y213-F248 HydrophobicContact CD1-CE1 3.75Å; Y213-F248 AromaticContact CD1-CZ 3.58Å; Y213-F248 HydrophobicContact CD1-CZ 3.58Å; Y213-F248 HydrophobicContact CE1-CE1 4.12Å; Y213-F248 AromaticContact CE1-CZ 3.9Å; Y213-F248 HydrophobicContact CE1-CZ 3.9Å; Y213-F248 HydrophobicContact CG-CE1 4.03Å; Y213-F248 HydrophobicContact CG-CZ 4.3Å; L244-F248 HydrophobicContact CD2-CD1 4.04Å; L244-F248 HydrophobicContact CD2-CE1 4.29Å; D245-F248 HydrophobicContact CB-CB 4.29Å; D245-F248 WeakPolarHBondContact O-CB 3.31Å; D245-F248 PolarHBondContact O-N 3.41Å; E246-F248 VanDerWaalsContact C-N 3.29Å; E246-F248 PolarHBondContact O-N 3.34Å; F248-S250 PolarHBondContact O-N 3.06Å; F248-R251 WeakPolarHBondContact O-CB 3.14Å; F248-R251 PolarHBondContact O-N 3.31Å; F248-I252 HydrophobicContact CD1-CD1 4.1Å; F248-I252 HydrophobicContact CD1-CG1 4.2Å; F248-I252 HydrophobicContact CE1-CD1 4.04Å; F248-I252 HydrophobicContact CE1-CG1 4.04Å; F248-I252 PolarHBondContact O-N 2.95Å
249	L	70.6	Confident	68.7	Low	52 Å²	52	60.9 Å²	60.9	27%	0.272	35%	0.348	S	S	.	.	H	α-helix	trans	-54.8	-37.3	176.3	-71.7	174	0	0	0	112.3	L241 L244 D245 E246 R251 I252 L273	L241-L249 HydrophobicContact CD2-CD2 4.29Å; L244-L249 HydrophobicContact CB-CD2 3.91Å; L244-L249 HydrophobicContact CB-CG 4.09Å; L244-L249 HydrophobicContact CD1-CD2 3.8Å; D245-L249 PolarHBondContact O-N 3.33Å; E246-L249 PolarHBondContact O-N 3.39Å; L249-R251 PolarHBondContact O-N 3.13Å; L249-I252 HydrophobicContact CD2-CD1 4.05Å; L249-I252 PolarHBondContact O-N 3.21Å; L249-L273 HydrophobicContact CD1-CD2 4.02Å
250	S	67.9	Low	67.3	Low	98 Å²	98	61.3 Å²	61.3	69%	0.685	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.2	177.6	77.2	0	0	0	0	114.6	E246 A247 F248	E246-S250 PolarHBondContact O-N 2.97Å; A247-S250 PolarHBondContact O-OG 3.05Å; F248-S250 PolarHBondContact O-N 3.06Å
251	R	71.4	Confident	66	Low	191 Å²	191	63.7 Å²	63.7	72%	0.721	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.6	-179.2	-70.5	170.3	52.8	-169.9	-7.2	113.3	F248 L249	F248-R251 WeakPolarHBondContact O-CB 3.14Å; F248-R251 PolarHBondContact O-N 3.31Å; L249-R251 PolarHBondContact O-N 3.13Å
252	I	70.1	Confident	64.9	Low	15 Å²	15	67.6 Å²	67.6	8%	0.077	39%	0.385	C	S	.	.	S	Bend	trans	-69.6	127	-179	-64.2	176.7	0	0	0	108.9	Y213 L244 F248 L249 F256 L260	Y213-I252 HydrophobicContact CD2-CD1 4.39Å; Y213-I252 HydrophobicContact CE2-CD1 4.03Å; Y213-I252 HydrophobicContact CE2-CG1 4.14Å; Y213-I252 HydrophobicContact CE2-CG2 4.09Å; L244-I252 HydrophobicContact CD1-CD1 4.44Å; F248-I252 HydrophobicContact CD1-CD1 4.1Å; F248-I252 HydrophobicContact CD1-CG1 4.2Å; F248-I252 HydrophobicContact CE1-CD1 4.04Å; F248-I252 HydrophobicContact CE1-CG1 4.04Å; F248-I252 PolarHBondContact O-N 2.95Å; L249-I252 HydrophobicContact CD2-CD1 4.05Å; L249-I252 PolarHBondContact O-N 3.21Å; I252-F256 HydrophobicContact CG2-CB 3.78Å; I252-L260 HydrophobicContact CD1-CD1 4.17Å; I252-L260 HydrophobicContact CG2-CD1 4.35Å
253	P	67.7	Low	63.5	Low	63 Å²	63	67.1 Å²	67.1	41%	0.409	38%	0.383	S	S	.	.			trans	-58.4	141.3	178.8	-20.4	28.1	0	0	0	112.1	P255 F256 A257	P253-P255 VanDerWaalsContact C-N 3.33Å; P253-P255 VanDerWaalsContact O-N 3.13Å; P253-F256 HydrophobicContact CB-CD2 3.67Å; P253-F256 HydrophobicContact CB-CE2 4.05Å; P253-F256 HydrophobicContact CG-CD2 3.71Å; P253-F256 HydrophobicContact CG-CE2 3.96Å; P253-F256 PolarHBondContact O-N 3.39Å; P253-A257 PolarHBondContact O-N 3.25Å; P253-A257 VanDerWaalsContact O-N 3.08Å
254	A	57.8	Low	61.9	Low	70 Å²	70	75.5 Å²	75.5	58%	0.579	42%	0.417	S	S	*	.	H	α-helix	trans	-50.2	-37.8	-175	0	0	0	0	0	115.6	F256 A257 C258	A254-F256 VanDerWaalsContact C-N 3.3Å; A254-F256 PolarHBondContact O-N 2.6Å; A254-A257 PolarHBondContact O-N 3.37Å; A254-C258 PolarHBondContact O-N 3.37Å; A254-C258 PolarHBondContact O-SG 3.16Å; A254-C258 VanDerWaalsContact O-SG 3.36Å
255	P	57.8	Low	60.3	Low	93 Å²	93	79.4 Å²	79.4	60%	0.604	44%	0.438	S	S	*	.	H	α-helix	trans	-60.8	-37.3	176	-23	34	0	0	0	113.3	P253 A259	P253-P255 VanDerWaalsContact C-N 3.33Å; P253-P255 VanDerWaalsContact O-N 3.13Å; P255-A259 PolarHBondContact O-N 2.8Å
256	F	59.1	Low	58.8	Low	49 Å²	49	80.1 Å²	80.1	22%	0.215	45%	0.448	C	S	.	.	H	α-helix	trans	-78.7	-34.1	178.4	-55.4	-62.5	0	0	0	111.6	I217 L220 L231 I252 P253 A254 C258 A259 L260	I217-F256 HydrophobicContact CD1-CD1 4.48Å; I217-F256 HydrophobicContact CD1-CE1 4.37Å; I217-F256 HydrophobicContact CD1-CZ 4.41Å; L220-F256 HydrophobicContact CD2-CE1 3.67Å; L220-F256 HydrophobicContact CD2-CZ 4.01Å; L231-F256 HydrophobicContact CD2-CD1 3.42Å; L231-F256 VanDerWaalsContact CD2-CD1 3.42Å; L231-F256 HydrophobicContact CD2-CE1 3.33Å; I252-F256 HydrophobicContact CG2-CB 3.78Å; P253-F256 HydrophobicContact CB-CD2 3.67Å; P253-F256 HydrophobicContact CB-CE2 4.05Å; P253-F256 HydrophobicContact CG-CD2 3.71Å; P253-F256 HydrophobicContact CG-CE2 3.96Å; P253-F256 PolarHBondContact O-N 3.39Å; A254-F256 VanDerWaalsContact C-N 3.3Å; A254-F256 PolarHBondContact O-N 2.6Å; F256-C258 VanDerWaalsContact C-N 3.32Å; F256-C258 PolarHBondContact O-N 3.24Å; F256-A259 PolarHBondContact O-N 3.22Å; F256-L260 WeakPolarHBondContact O-CG 3.31Å; F256-L260 PolarHBondContact O-N 2.9Å
257	A	55.7	Low	57.7	Low	27 Å²	27	75.6 Å²	75.6	22%	0.223	44%	0.439	C	S	.	.	H	α-helix	trans	-60.4	-41.7	169.7	0	0	0	0	0	111.3	P253 A254 A259 L260 L261	P253-A257 PolarHBondContact O-N 3.25Å; P253-A257 VanDerWaalsContact O-N 3.08Å; A254-A257 PolarHBondContact O-N 3.37Å; A257-A259 PolarHBondContact O-N 2.94Å; A257-L260 WeakPolarHBondContact O-CB 3.17Å; A257-L260 PolarHBondContact O-N 3.05Å; A257-L261 VanDerWaalsContact O-CB 3.28Å; A257-L261 WeakPolarHBondContact O-CB 3.32Å; A257-L261 VanDerWaalsContact O-CD1 3.29Å; A257-L261 WeakPolarHBondContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 2.95Å
258	C	48.9	Very low	56.3	Low	90 Å²	90	78 Å²	78	61%	0.608	44%	0.44	S	S	*	.	H	α-helix	trans	-64.5	-34.9	175	-71.4	0	0	0	0	113.4	A254 F256 L261	A254-C258 PolarHBondContact O-N 3.37Å; A254-C258 PolarHBondContact O-SG 3.16Å; A254-C258 VanDerWaalsContact O-SG 3.36Å; F256-C258 VanDerWaalsContact C-N 3.32Å; F256-C258 PolarHBondContact O-N 3.24Å; C258-L261 CarbonylContact O-C 3.53Å; C258-L261 PolarHBondContact O-N 2.87Å
259	A	52.1	Low	55	Low	13 Å²	13	77.8 Å²	77.8	11%	0.107	44%	0.441	C	S	.	.	H	α-helix	trans	-71.5	-32.1	174.8	0	0	0	0	0	113	P232 P255 F256 A257	P232-A259 HydrophobicContact CB-CB 4.22Å; P232-A259 HydrophobicContact CG-CB 4.25Å; P255-A259 PolarHBondContact O-N 2.8Å; F256-A259 PolarHBondContact O-N 3.22Å; A257-A259 PolarHBondContact O-N 2.94Å
260	L	53.8	Low	53.7	Low	22 Å²	22	82.3 Å²	82.3	12%	0.115	46%	0.459	C	S	.	.	H	α-helix	trans	-72.2	-30	172.3	-75.2	165.5	0	0	0	112.6	F235 I239 L241 I252 F256 A257 L262	F235-L260 HydrophobicContact CB-CD2 4.16Å; F235-L260 HydrophobicContact CD1-CD1 4.19Å; F235-L260 HydrophobicContact CD1-CD2 3.55Å; F235-L260 HydrophobicContact CD1-CG 3.7Å; F235-L260 HydrophobicContact CE1-CD1 4.41Å; F235-L260 HydrophobicContact CE1-CD2 4.44Å; F235-L260 HydrophobicContact CE1-CG 4.38Å; F235-L260 HydrophobicContact CG-CD2 4.35Å; I239-L260 HydrophobicContact CB-CD2 4.3Å; I239-L260 HydrophobicContact CD1-CD2 4.32Å; I239-L260 HydrophobicContact CG2-CD2 4.15Å; L241-L260 HydrophobicContact CD1-CB 4.09Å; L241-L260 HydrophobicContact CD1-CD2 4.19Å; L241-L260 WeakPolarHBondContact CD1-O 3.43Å; L241-L260 HydrophobicContact CD2-CB 4.09Å; L241-L260 HydrophobicContact CD2-CD1 3.92Å; L241-L260 HydrophobicContact CD2-CD2 3.56Å; L241-L260 HydrophobicContact CD2-CG 4.05Å; L241-L260 HydrophobicContact CG-CD2 3.94Å; I252-L260 HydrophobicContact CD1-CD1 4.17Å; I252-L260 HydrophobicContact CG2-CD1 4.35Å; F256-L260 WeakPolarHBondContact O-CG 3.31Å; F256-L260 PolarHBondContact O-N 2.9Å; A257-L260 WeakPolarHBondContact O-CB 3.17Å; A257-L260 PolarHBondContact O-N 3.05Å; L260-L262 PolarHBondContact O-N 2.88Å
261	L	53.4	Low	52.7	Low	75 Å²	75	80.4 Å²	80.4	39%	0.393	45%	0.449	S	S	.	.			trans	-97.3	55.4	-177.8	-64.2	166.2	0	0	0	111.4	A257 C258 S263 A269	A257-L261 VanDerWaalsContact O-CB 3.28Å; A257-L261 WeakPolarHBondContact O-CB 3.32Å; A257-L261 VanDerWaalsContact O-CD1 3.29Å; A257-L261 WeakPolarHBondContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 2.95Å; C258-L261 CarbonylContact O-C 3.53Å; C258-L261 PolarHBondContact O-N 2.87Å; L261-S263 PolarHBondContact O-N 3.1Å; L261-S263 VanDerWaalsContact O-O 3.1Å; L261-A269 HydrophobicContact CD2-CB 3.3Å
262	L	48	Very low	51.6	Low	121 Å²	121	80.1 Å²	80.1	63%	0.634	45%	0.448	S	S	*	.			trans	-65.3	49.1	173.5	-79.7	166.5	0	0	0	113.5	L260	L260-L262 PolarHBondContact O-N 2.88Å
263	S	43.6	Very low	50.6	Low	35 Å²	35	82.5 Å²	82.5	25%	0.245	46%	0.461	C	S	.	.	S	Bend	trans	-144.3	140.5	148.7	68.2	0	0	0	0	108.7	L261 D265	L261-S263 PolarHBondContact O-N 3.1Å; L261-S263 VanDerWaalsContact O-O 3.1Å; S263-D265 PolarHBondContact O-N 3.46Å
264	K	43.4	Very low	49.5	Very low	224 Å²	224	84.4 Å²	84.4	97%	0.974	47%	0.471	S	S	*	.	S	Bend	trans	-68.3	9.6	178.7	-69.4	-177.7	175.9	179.6	0	113.2
265	D	45.8	Very low	48.9	Very low	95 Å²	95	82.9 Å²	82.9	51%	0.508	46%	0.463	S	S	.	.			trans	-125.7	109.3	-168.5	-142.9	-27.1	0	0	0	112	S263 A267 E268 A269	S263-D265 PolarHBondContact O-N 3.46Å; D265-A267 PolarHBondContact O-N 3.21Å; D265-A267 VanDerWaalsContact O-N 3.14Å; D265-E268 PolarHBondContact O-N 2.9Å; D265-A269 PolarHBondContact O-N 3.31Å
266	P	46	Very low	48.5	Very low	107 Å²	107	83.5 Å²	83.5	70%	0.695	46%	0.464	S	S	*	.	H	α-helix	trans	-65	-17.7	-174	21.9	-31.1	0	0	0	114.4	K270	P266-K270 WeakPolarHBondContact O-CB 3.47Å; P266-K270 PolarHBondContact O-N 3.22Å
267	A	47.4	Very low	48	Very low	70 Å²	70	88.9 Å²	88.9	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-76.4	-36	177.7	0	0	0	0	0	113.1	D265 A271	D265-A267 PolarHBondContact O-N 3.21Å; D265-A267 VanDerWaalsContact O-N 3.14Å; A267-A271 PolarHBondContact O-N 3.35Å; A267-A271 VanDerWaalsContact O-N 3.13Å
268	E	47.2	Very low	48.1	Very low	110 Å²	110	90.9 Å²	90.9	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-75.9	-37.3	-179.6	-130.2	-178.8	-171.9	0	0	111.6	D265 K270 A271 R272	D265-E268 PolarHBondContact O-N 2.9Å; E268-K270 VanDerWaalsContact C-N 3.34Å; E268-A271 PolarHBondContact O-N 3.06Å; E268-R272 PolarHBondContact O-N 2.79Å
269	A	46.9	Very low	48.9	Very low	13 Å²	13	88.6 Å²	88.6	11%	0.107	50%	0.504	C	S	.	.	H	α-helix	trans	-60.6	-42.2	171.2	0	0	0	0	0	112.3	L261 D265 A271 R272 L273	L261-A269 HydrophobicContact CD2-CB 3.3Å; D265-A269 PolarHBondContact O-N 3.31Å; A269-A271 VanDerWaalsContact C-N 3.35Å; A269-R272 PolarHBondContact O-N 3.15Å; A269-L273 WeakPolarHBondContact O-CD1 3.43Å; A269-L273 WeakPolarHBondContact O-CG 3.35Å; A269-L273 PolarHBondContact O-N 3Å
270	K	43.7	Very low	50	Low	147 Å²	147	90.9 Å²	90.9	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-36.3	176.4	-159.9	172.6	-176.5	177.5	0	112	P266 E268 L273 T274	P266-K270 WeakPolarHBondContact O-CB 3.47Å; P266-K270 PolarHBondContact O-N 3.22Å; E268-K270 VanDerWaalsContact C-N 3.34Å; K270-L273 WeakPolarHBondContact O-CB 3.38Å; K270-L273 PolarHBondContact O-N 2.99Å; K270-T274 WeakPolarHBondContact O-CG2 3.29Å; K270-T274 PolarHBondContact O-N 2.84Å; K270-T274 PolarHBondContact O-OG1 3.49Å
271	A	46.4	Very low	51.3	Low	59 Å²	59	95 Å²	95	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-39.3	174	0	0	0	0	0	112.8	A267 E268 A269 T274 G275	A267-A271 PolarHBondContact O-N 3.35Å; A267-A271 VanDerWaalsContact O-N 3.13Å; E268-A271 PolarHBondContact O-N 3.06Å; A269-A271 VanDerWaalsContact C-N 3.35Å; A271-T274 WeakPolarHBondContact CA-OG1 3.18Å; A271-T274 PolarHBondContact O-N 2.94Å; A271-T274 PolarHBondContact O-OG1 3.45Å; A271-G275 PolarHBondContact O-N 2.91Å
272	R	49.8	Very low	52.8	Low	185 Å²	185	91.5 Å²	91.5	70%	0.698	52%	0.518	S	S	*	.	H	α-helix	trans	-68.1	-33.8	172.8	-71.4	-174.5	-178.9	-159.6	2	113.1	E268 A269	E268-R272 PolarHBondContact O-N 2.79Å; A269-R272 PolarHBondContact O-N 3.15Å
273	L	48.7	Very low	54.3	Low	65 Å²	65	86.8 Å²	86.8	34%	0.34	49%	0.493	S	S	.	.	H	α-helix	trans	-67.8	-36.2	173	-77.2	156.5	0	0	0	112.3	L249 A269 K270	L249-L273 HydrophobicContact CD1-CD2 4.02Å; A269-L273 WeakPolarHBondContact O-CD1 3.43Å; A269-L273 WeakPolarHBondContact O-CG 3.35Å; A269-L273 PolarHBondContact O-N 3Å; K270-L273 WeakPolarHBondContact O-CB 3.38Å; K270-L273 PolarHBondContact O-N 2.99Å
274	T	45	Very low	56	Low	102 Å²	102	85.2 Å²	85.2	63%	0.626	48%	0.482	S	S	*	.	H	α-helix	trans	-84.9	-10.8	-179	53.1	0	0	0	0	114.6	K270 A271 T276	K270-T274 WeakPolarHBondContact O-CG2 3.29Å; K270-T274 PolarHBondContact O-N 2.84Å; K270-T274 PolarHBondContact O-OG1 3.49Å; A271-T274 WeakPolarHBondContact CA-OG1 3.18Å; A271-T274 PolarHBondContact O-N 2.94Å; A271-T274 PolarHBondContact O-OG1 3.45Å; T274-T276 PolarHBondContact O-N 2.93Å; T274-T276 VanDerWaalsContact O-N 3.17Å
275	G	45.4	Very low	57.8	Low	39 Å²	39	76.4 Å²	76.4	40%	0.402	45%	0.445	S	S	.	.			trans	-84.9	76.5	179.9	0	0	0	0	0	112.4	A271 N277	A271-G275 PolarHBondContact O-N 2.91Å; G275-N277 PolarHBondContact O-N 2.86Å
276	T	48.2	Very low	59.5	Low	105 Å²	105	72.7 Å²	72.7	64%	0.644	43%	0.426	S	S	*	.			trans	-68.5	-11	170.5	54.8	0	0	0	0	113	T274 G278	T274-T276 PolarHBondContact O-N 2.93Å; T274-T276 VanDerWaalsContact O-N 3.17Å; T276-G278 VanDerWaalsContact C-N 3.33Å; T276-G278 PolarHBondContact O-N 3.47Å
277	N	48	Very low	61.3	Low	162 Å²	162	69 Å²	69	87%	0.866	41%	0.405	S	S	*	.	S	Bend	trans	-79.7	79.6	-176.6	-71.1	-12.2	0	0	0	110.8	G275	G275-N277 PolarHBondContact O-N 2.86Å
278	G	57.7	Low	63.2	Low	70 Å²	70	66.9 Å²	66.9	72%	0.722	39%	0.385	S	S	*	.	S	Bend	trans	135	-2.5	164.3	0	0	0	0	0	117	T276 P280	T276-G278 VanDerWaalsContact C-N 3.33Å; T276-G278 PolarHBondContact O-N 3.47Å; G278-P280 VanDerWaalsContact O-CD 3.31Å; G278-P280 WeakPolarHBondContact O-CD 3.47Å
279	C	66.7	Low	65.1	Low	42 Å²	42	64.3 Å²	64.3	28%	0.284	37%	0.373	S	S	.	.			trans	-79.8	114.8	173.8	-168.7	0	0	0	0	109.6	Q281	C279-Q281 PolarHBondContact O-N 2.95Å
280	P	75.9	Confident	67.2	Low	61 Å²	61	63.7 Å²	63.7	40%	0.396	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-63.5	134.1	177.8	25.6	-32	0	0	0	109.5	D202 R240 G278	D202-P280 VanDerWaalsContact OD1-CG 3.26Å; D202-P280 WeakPolarHBondContact OD1-CG 3.28Å; R240-P280 PolarHBondContact NH1-O 3.02Å; G278-P280 VanDerWaalsContact O-CD 3.31Å; G278-P280 WeakPolarHBondContact O-CD 3.47Å
281	Q	80.8	Confident	69.4	Low	109 Å²	109	56.7 Å²	56.7	51%	0.509	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.4	144.8	168.3	-70.4	-178.9	-34.2	0	0	109	L243 C279 M285 T286	L243-Q281 HydrophobicContact CD2-CG 4.31Å; C279-Q281 PolarHBondContact O-N 2.95Å; Q281-M285 HydrophobicContact CB-CB 4.3Å; Q281-M285 HydrophobicContact CB-SD 4.42Å; Q281-T286 HydrophobicContact CB-CG2 4.11Å
282	R	83.8	Confident	71.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-67	151.9	171.5	-64.1	-176.4	-174.4	-82.7	4.4	110	L199 S201 D202 E209 C238 G284 M285	L199-R282 PolarHBondContact O-NH1 3.07Å; L199-R282 PolarHBondContact O-NH2 2.87Å; S201-R282 PolarHBondContact O-NH1 3.26Å; D202-R282 CarbonylContact O-C 3.54Å; D202-R282 WeakPolarHBondContact O-CA 3.33Å; E209-R282 IonicContact OE1-CZ 3.19Å; E209-R282 IonicContact OE1-NE 2.95Å; E209-R282 PolarHBondContact OE1-NE 2.99Å; E209-R282 IonicContact OE1-NH2 2.64Å; E209-R282 PolarHBondContact OE1-NH2 3.41Å; E209-R282 WeakPolarHBondContact OE2-CD 3.17Å; E209-R282 IonicContact OE2-CZ 3.32Å; E209-R282 IonicContact OE2-NE 3.52Å; E209-R282 PolarHBondContact OE2-NE 3.16Å; E209-R282 IonicContact OE2-NH2 2.82Å; C238-R282 PolarHBondContact O-NH2 3.31Å; R282-G284 VanDerWaalsContact C-N 3.25Å; R282-G284 PolarHBondContact O-N 3.36Å; R282-M285 HydrophobicContact CB-CG 4.27Å; R282-M285 HydrophobicContact CB-SD 4.19Å; R282-M285 HydrophobicContact CG-CE 4.46Å; R282-M285 HydrophobicContact CG-SD 4.49Å; R282-M285 WeakPolarHBondContact O-CB 3.4Å; R282-M285 PolarHBondContact O-N 2.66Å
283	L	80.7	Confident	73.3	Confident	23 Å²	23	45 Å²	45	12%	0.12	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-49.3	-47.9	-179.8	-177	66.7	0	0	0	111.7	D202 M285 T286 Y596	D202-L283 PolarHBondContact O-N 2.97Å; L283-M285 VanDerWaalsContact C-N 3.29Å; L283-M285 PolarHBondContact O-N 3.39Å; L283-T286 PolarHBondContact O-N 2.98Å; L283-T286 VanDerWaalsContact O-N 3.09Å; L283-T286 PolarHBondContact O-OG1 3.37Å; L283-Y596 HydrophobicContact CD1-CD1 3.82Å; L283-Y596 HydrophobicContact CD1-CE1 4.39Å; L283-Y596 HydrophobicContact CD1-CG 4.01Å; L283-Y596 HydrophobicContact CG-CD1 3.74Å; L283-Y596 HydrophobicContact CG-CE1 3.81Å; L283-Y596 HydrophobicContact CG-CG 4.26Å; L283-Y596 WeakPolarHBondContact O-CD1 3.49Å; L283-Y596 WeakPolarHBondContact O-CE1 3.44Å
284	G	78.8	Confident	74.9	Confident	2 Å²	2	42 Å²	42	2%	0.021	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.6	-35.8	177	0	0	0	0	0	115.4	L204 V206 R282 T286 A287	L204-G284 PolarHBondContact O-N 2.84Å; V206-G284 CarbonylContact O-C 3.53Å; V206-G284 VanDerWaalsContact O-CA 3.23Å; V206-G284 WeakPolarHBondContact O-CA 3.43Å; R282-G284 VanDerWaalsContact C-N 3.25Å; R282-G284 PolarHBondContact O-N 3.36Å; G284-T286 PolarHBondContact O-N 3.12Å; G284-A287 WeakPolarHBondContact O-CB 3.39Å; G284-A287 PolarHBondContact O-N 2.77Å
285	M	81.8	Confident	76	Confident	38 Å²	38	37.8 Å²	37.8	19%	0.187	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-73.1	-20.4	-178.6	-62.6	173.7	172.8	0	0	112.8	V206 E209 L243 Q281 R282 L283 A287	V206-M285 WeakPolarHBondContact O-CG 3.31Å; V206-M285 PolarHBondContact O-N 3.36Å; E209-M285 HydrophobicContact CB-CE 3.74Å; E209-M285 VanDerWaalsContact N-CE 3.25Å; E209-M285 VanDerWaalsContact OE2-CE 3.26Å; E209-M285 WeakPolarHBondContact OE2-CE 3.34Å; L243-M285 HydrophobicContact CB-CE 4.17Å; L243-M285 HydrophobicContact CB-SD 4.46Å; L243-M285 HydrophobicContact CD1-CE 4.09Å; L243-M285 HydrophobicContact CD1-SD 3.74Å; Q281-M285 HydrophobicContact CB-CB 4.3Å; Q281-M285 HydrophobicContact CB-SD 4.42Å; R282-M285 HydrophobicContact CB-CG 4.27Å; R282-M285 HydrophobicContact CB-SD 4.19Å; R282-M285 HydrophobicContact CG-CE 4.46Å; R282-M285 HydrophobicContact CG-SD 4.49Å; R282-M285 WeakPolarHBondContact O-CB 3.4Å; R282-M285 PolarHBondContact O-N 2.66Å; L283-M285 VanDerWaalsContact C-N 3.29Å; L283-M285 PolarHBondContact O-N 3.39Å; M285-A287 VanDerWaalsContact C-N 3.31Å
286	T	81.1	Confident	76.6	Confident	18 Å²	18	36.4 Å²	36.4	11%	0.11	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.3	177.4	72.8	0	0	0	0	112.1	Q281 L283 G284 S288 P597	Q281-T286 HydrophobicContact CB-CG2 4.11Å; L283-T286 PolarHBondContact O-N 2.98Å; L283-T286 VanDerWaalsContact O-N 3.09Å; L283-T286 PolarHBondContact O-OG1 3.37Å; G284-T286 PolarHBondContact O-N 3.12Å; T286-S288 PolarHBondContact O-N 2.86Å; T286-P597 WeakPolarHBondContact O-CD 3.44Å
287	A	84.3	Confident	76.9	Confident	30 Å²	30	32 Å²	32	25%	0.248	20%	0.198	C	C	.	.			trans	-63.6	130.5	-179.1	0	0	0	0	0	110.5	G284 M285 K594 L595 Y596	G284-A287 WeakPolarHBondContact O-CB 3.39Å; G284-A287 PolarHBondContact O-N 2.77Å; M285-A287 VanDerWaalsContact C-N 3.31Å; A287-K594 HydrophobicContact CB-CB 4.37Å; A287-L595 WeakPolarHBondContact CA-O 3.41Å; A287-Y596 HydrophobicContact CB-CD1 3.92Å; A287-Y596 HydrophobicContact CB-CE1 3.7Å
288	S	85.8	Confident	77	Confident	24 Å²	24	27.2 Å²	27.2	17%	0.168	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.5	172.3	-173.4	0	0	0	0	109	T286 M290 D311 K594 L595	T286-S288 PolarHBondContact O-N 2.86Å; S288-M290 PolarHBondContact O-N 2.98Å; S288-D311 PolarHBondContact OG-OD1 2.64Å; S288-D311 PolarHBondContact OG-OD2 2.99Å; S288-K594 WeakPolarHBondContact O-CA 3.33Å; S288-L595 PolarHBondContact N-O 2.8Å; S288-L595 PolarHBondContact O-N 2.83Å
289	E	88.7	Confident	76.5	Confident	56 Å²	56	29 Å²	29	26%	0.262	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116	174.1	-168	-178.9	-154.3	0	0	108.9	L533 Q534 V592	E289-L533 HydrophobicContact CG-CD1 3.81Å; E289-Q534 PolarHBondContact OE1-N 3.4Å; E289-Q534 WeakPolarHBondContact OE2-CA 3.15Å; E289-Q534 WeakPolarHBondContact OE2-CG 3.34Å; E289-Q534 PolarHBondContact OE2-N 3.25Å; E289-V592 HydrophobicContact CG-CG1 3.38Å; E289-V592 WeakPolarHBondContact OE1-CG1 3.43Å
290	M	90.3	Very high	75.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146	-173	-62.5	-170.8	-168.7	0	0	112	S288 C309 L310 D311 F318 V592 A593 L595 P597 L600	S288-M290 PolarHBondContact O-N 2.98Å; M290-C309 HydrophobicContact CB-CB 4.43Å; M290-C309 HydrophobicContact SD-CB 4.09Å; M290-L310 CarbonylContact C-O 3.54Å; M290-L310 WeakPolarHBondContact CA-O 3.41Å; M290-L310 WeakPolarHBondContact CB-O 3.36Å; M290-D311 HydrophobicContact CE-CB 4.17Å; M290-D311 HydrophobicContact CG-CB 4.16Å; M290-D311 HydrophobicContact SD-CB 4.38Å; M290-F318 HydrophobicContact CE-CD2 3.74Å; M290-F318 HydrophobicContact CE-CE2 3.69Å; M290-F318 HydrophobicContact CE-CZ 4.47Å; M290-F318 HydrophobicContact SD-CD2 3.75Å; M290-F318 HydrophobicContact SD-CE2 4.28Å; M290-F318 HydrophobicContact SD-CG 4.5Å; M290-V592 WeakPolarHBondContact O-CA 3.39Å; M290-A593 PolarHBondContact N-O 3.46Å; M290-A593 PolarHBondContact O-N 3.44Å; M290-L595 HydrophobicContact CB-CD1 4.25Å; M290-L595 HydrophobicContact CE-CB 4.43Å; M290-L595 HydrophobicContact CG-CB 4.4Å; M290-L595 HydrophobicContact SD-CB 3.99Å; M290-L595 HydrophobicContact SD-CD1 4.17Å; M290-P597 HydrophobicContact CE-CB 4.27Å; M290-P597 HydrophobicContact CE-CG 3.64Å; M290-L600 HydrophobicContact CE-CD1 4.39Å; M290-L600 HydrophobicContact SD-CD1 4Å
291	V	89.8	Confident	73.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.3	170.8	-176.5	0	0	0	0	109	C309 L310 T312 M531 L533 F540 C590 V592	V291-C309 CarbonylContact O-C 3.54Å; V291-C309 WeakPolarHBondContact O-CA 3.27Å; V291-L310 HydrophobicContact CB-CB 4.19Å; V291-L310 PolarHBondContact N-O 3.13Å; V291-L310 PolarHBondContact O-N 3.4Å; V291-T312 HydrophobicContact CG2-CG2 4.23Å; V291-M531 HydrophobicContact CB-SD 4.4Å; V291-M531 HydrophobicContact CG1-CE 4.03Å; V291-M531 HydrophobicContact CG1-SD 3.66Å; V291-M531 HydrophobicContact CG2-SD 3.83Å; V291-L533 HydrophobicContact CG2-CD1 4.43Å; V291-L533 HydrophobicContact CG2-CD2 4.45Å; V291-F540 HydrophobicContact CG1-CD2 4.26Å; V291-C590 HydrophobicContact CG1-CB 4.32Å; V291-V592 HydrophobicContact CG2-CG2 4.28Å
292	I	90.1	Very high	72.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.8	178.8	-49.7	175.8	0	0	0	108.7	F294 V307 L320 I340 C590 V591 A593 L595	I292-F294 HydrophobicContact CB-CE2 4.2Å; I292-F294 HydrophobicContact CG2-CD2 3.88Å; I292-F294 HydrophobicContact CG2-CE2 3.44Å; I292-F294 VanDerWaalsContact CG2-CE2 3.44Å; I292-F294 HydrophobicContact CG2-CZ 4.07Å; I292-V307 HydrophobicContact CG2-CG1 3.43Å; I292-V307 VanDerWaalsContact CG2-CG1 3.43Å; I292-L320 HydrophobicContact CD1-CD1 4.37Å; I292-I340 HydrophobicContact CD1-CD1 3.63Å; I292-C590 VanDerWaalsContact O-CA 3.28Å; I292-C590 WeakPolarHBondContact O-CA 3.45Å; I292-V591 HydrophobicContact CB-CG2 3.91Å; I292-V591 HydrophobicContact CD1-CG2 4.24Å; I292-V591 HydrophobicContact CG1-CG2 4.46Å; I292-V591 PolarHBondContact N-O 3.4Å; I292-V591 PolarHBondContact O-N 2.89Å; I292-A593 HydrophobicContact CD1-CB 3.9Å; I292-L595 HydrophobicContact CD1-CD1 3.73Å; I292-L595 HydrophobicContact CD1-CD2 4.19Å; I292-L595 HydrophobicContact CD1-CG 4.15Å; I292-L595 HydrophobicContact CG1-CD1 3.86Å
293	C	87.1	Confident	70.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.1	176.7	-56.8	0	0	0	0	110.5	P308 L584 E589	C293-P308 HydrophobicContact CB-CG 4.13Å; C293-P308 PolarHBondContact N-O 3.14Å; C293-P308 WeakPolarHBondContact O-CD 3.47Å; C293-L584 HydrophobicContact CB-CD1 4.47Å; C293-L584 HydrophobicContact CB-CD2 3.72Å; C293-E589 CarbonylContact C-O 3.56Å; C293-E589 WeakPolarHBondContact CA-O 3.44Å
294	F	82.9	Confident	69.7	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	157.1	173.4	-73.9	-96.2	0	0	0	111.1	I292 A296 V307 P323 I332 I342 W373 F588 E589 V591	I292-F294 HydrophobicContact CB-CE2 4.2Å; I292-F294 HydrophobicContact CG2-CD2 3.88Å; I292-F294 HydrophobicContact CG2-CE2 3.44Å; I292-F294 VanDerWaalsContact CG2-CE2 3.44Å; I292-F294 HydrophobicContact CG2-CZ 4.07Å; F294-A296 VanDerWaalsContact C-N 3.3Å; F294-A296 PolarHBondContact O-N 3.45Å; F294-V307 HydrophobicContact CD1-CG1 4.24Å; F294-V307 HydrophobicContact CD1-CG2 4.21Å; F294-V307 HydrophobicContact CD2-CG1 4.47Å; F294-V307 HydrophobicContact CE1-CG1 4.24Å; F294-V307 HydrophobicContact CE1-CG2 4.47Å; F294-V307 HydrophobicContact CE2-CG1 4.48Å; F294-V307 HydrophobicContact CG-CG1 4.37Å; F294-V307 HydrophobicContact CZ-CG1 4.36Å; F294-P323 HydrophobicContact CD1-CG 4.2Å; F294-P323 HydrophobicContact CE1-CG 4.37Å; F294-I332 HydrophobicContact CB-CD1 3.62Å; F294-I332 HydrophobicContact CD1-CD1 4.28Å; F294-I332 HydrophobicContact CD2-CD1 3.5Å; F294-I332 VanDerWaalsContact CD2-CD1 3.5Å; F294-I332 HydrophobicContact CD2-CG1 4.32Å; F294-I332 HydrophobicContact CD2-CG2 4.33Å; F294-I332 HydrophobicContact CE2-CD1 4.19Å; F294-I332 HydrophobicContact CE2-CG2 3.94Å; F294-I332 HydrophobicContact CG-CD1 3.53Å; F294-I332 HydrophobicContact CG-CG1 4.36Å; F294-I332 HydrophobicContact CZ-CG2 4.36Å; F294-I342 HydrophobicContact CE1-CG2 4.06Å; F294-I342 HydrophobicContact CZ-CG2 4.33Å; F294-W373 HydrophobicContact CE1-CH2 4.1Å; F294-W373 AromaticContact CE1-CZ2 3.81Å; F294-W373 HydrophobicContact CE1-CZ2 3.81Å; F294-W373 HydrophobicContact CZ-CH2 4.03Å; F294-W373 HydrophobicContact CZ-CZ2 4.01Å; F294-F588 VanDerWaalsContact O-CA 3.3Å; F294-F588 WeakPolarHBondContact O-CA 3.5Å; F294-F588 WeakPolarHBondContact O-CB 3.44Å; F294-E589 PolarHBondContact N-O 2.76Å; F294-E589 PolarHBondContact O-N 2.85Å; F294-V591 HydrophobicContact CD2-CG2 4.31Å; F294-V591 HydrophobicContact CE2-CG2 3.82Å
295	D	69.2	Low	69.2	Low	14 Å²	14	47.9 Å²	47.9	8%	0.075	26%	0.259	C	S	.	.			trans	58.5	33.7	178	-71.4	-31.4	0	0	0	115.4	A297 Q305 E329 H587	D295-A297 PolarHBondContact O-N 3.07Å; D295-Q305 PolarHBondContact OD1-NE2 2.98Å; D295-E329 PolarHBondContact OD2-N 3.04Å; D295-H587 WeakPolarHBondContact CB-O 3.18Å; D295-H587 VanDerWaalsContact O-O 3.05Å
296	A	57	Low	68.8	Low	10 Å²	10	48.5 Å²	48.5	8%	0.083	27%	0.265	C	S	.	.			trans	-68.7	32.4	170.6	0	0	0	0	0	114.1	F294 T306 P308 L584	F294-A296 VanDerWaalsContact C-N 3.3Å; F294-A296 PolarHBondContact O-N 3.45Å; A296-T306 WeakPolarHBondContact CB-O 3.48Å; A296-P308 HydrophobicContact CB-CG 4.1Å; A296-L584 HydrophobicContact CB-CD2 3.4Å
297	A	54.5	Low	68.9	Low	12 Å²	12	47.6 Å²	47.6	10%	0.099	26%	0.26	C	S	.	.			trans	-102.4	127.9	-178.9	0	0	0	0	0	111.4	D295 K299 Q305	D295-A297 PolarHBondContact O-N 3.07Å; A297-K299 PolarHBondContact O-N 2.93Å; A297-Q305 HydrophobicContact CB-CB 4.2Å; A297-Q305 HydrophobicContact CB-CG 4.26Å
298	H	50.2	Low	69	Low	62 Å²	62	46.4 Å²	46.4	29%	0.287	25%	0.25	S	C	.	.			trans	-72.4	115.5	173.7	-148	-67.1	0	0	0	109.1	H300 S301 R557 D583	H298-H300 PolarHBondContact O-N 2.91Å; H298-S301 PolarHBondContact O-N 3.5Å; H298-R557 PolarHBondContact CD2-NH1 3.47Å; H298-R557 VanDerWaalsContact CD2-NH1 3.33Å; H298-R557 PolarHBondContact NE2-NH1 2.91Å; H298-R557 PolarHBondContact NE2-NH2 3.38Å; H298-D583 IonicContact CD2-OD2 2.78Å; H298-D583 PolarHBondContact CD2-OD2 2.78Å; H298-D583 IonicContact NE2-OD2 3.92Å
299	K	46.4	Very low	69	Low	109 Å²	109	45.3 Å²	45.3	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-7.3	176.5	-82.6	-175.1	175	175.6	0	114.7	A297 H587	A297-K299 PolarHBondContact O-N 2.93Å; K299-H587 PolarHBondContact NZ-CD2 2.98Å; K299-H587 PolarHBondContact NZ-NE2 3.42Å
300	H	42.1	Very low	68.9	Low	159 Å²	159	42.7 Å²	42.7	74%	0.736	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.8	6.5	-171.5	-74.1	20.1	0	0	0	114.8	H298	H298-H300 PolarHBondContact O-N 2.91Å
301	S	45.7	Very low	68.7	Low	50 Å²	50	42.9 Å²	42.9	35%	0.35	23%	0.231	S	C	.	.	S	Bend	trans	-109.4	1.2	-173.7	84.8	0	0	0	0	115.4	H298 K303	H298-S301 PolarHBondContact O-N 3.5Å; S301-K303 PolarHBondContact O-N 2.86Å; S301-K303 VanDerWaalsContact OG-CB 3.25Å; S301-K303 WeakPolarHBondContact OG-CB 3.43Å; S301-K303 VanDerWaalsContact OG-CG 3.25Å; S301-K303 WeakPolarHBondContact OG-CG 3.46Å; S301-K303 PolarHBondContact OG-N 3.33Å
302	G	47	Very low	68.2	Low	88 Å²	88	44.4 Å²	44.4	91%	0.907	24%	0.24	S	C	*	.			trans	57.9	12.5	-173.3	0	0	0	0	0	114.5
303	K	53.3	Low	67.8	Low	160 Å²	160	48 Å²	48	70%	0.696	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-87.1	138	-178.2	-70.5	179.9	-178.9	-179.7	0	109.7	S301	S301-K303 PolarHBondContact O-N 2.86Å; S301-K303 VanDerWaalsContact OG-CB 3.25Å; S301-K303 WeakPolarHBondContact OG-CB 3.43Å; S301-K303 VanDerWaalsContact OG-CG 3.25Å; S301-K303 WeakPolarHBondContact OG-CG 3.46Å; S301-K303 PolarHBondContact OG-N 3.33Å
304	K	58.5	Low	67.5	Low	175 Å²	175	51.7 Å²	51.7	76%	0.761	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.7	177.8	-55.8	-178.6	175.5	-178.9	0	110.4
305	Q	67.8	Low	67.3	Low	0 Å²	0	53 Å²	53	0%	0	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-53.8	143.9	174.9	-168.8	-171.8	39.2	0	0	110.9	D295 A297 K322 D326 L327	D295-Q305 PolarHBondContact OD1-NE2 2.98Å; A297-Q305 HydrophobicContact CB-CB 4.2Å; A297-Q305 HydrophobicContact CB-CG 4.26Å; Q305-K322 WeakPolarHBondContact O-CD 3.26Å; Q305-K322 WeakPolarHBondContact O-CE 3.47Å; Q305-K322 PolarHBondContact O-NZ 3.39Å; Q305-D326 WeakPolarHBondContact CB-OD1 3.31Å; Q305-D326 PolarHBondContact OE1-OD1 3.39Å; Q305-L327 PolarHBondContact NE2-O 3.47Å
306	T	73.3	Confident	67.9	Low	51 Å²	51	59.5 Å²	59.5	31%	0.313	33%	0.329	S	S	.	.			trans	-135.3	147.2	174.1	54.5	0	0	0	0	108.6	A296 P308	A296-T306 WeakPolarHBondContact CB-O 3.48Å; T306-P308 VanDerWaalsContact O-CD 3.31Å; T306-P308 WeakPolarHBondContact O-CD 3.25Å
307	V	83.8	Confident	69.2	Low	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	88.7	175.9	-175.7	0	0	0	0	108.5	I292 F294 L320 P323	I292-V307 HydrophobicContact CG2-CG1 3.43Å; I292-V307 VanDerWaalsContact CG2-CG1 3.43Å; F294-V307 HydrophobicContact CD1-CG1 4.24Å; F294-V307 HydrophobicContact CD1-CG2 4.21Å; F294-V307 HydrophobicContact CD2-CG1 4.47Å; F294-V307 HydrophobicContact CE1-CG1 4.24Å; F294-V307 HydrophobicContact CE1-CG2 4.47Å; F294-V307 HydrophobicContact CE2-CG1 4.48Å; F294-V307 HydrophobicContact CG-CG1 4.37Å; F294-V307 HydrophobicContact CZ-CG1 4.36Å; V307-L320 HydrophobicContact CB-CB 4.07Å; V307-L320 HydrophobicContact CB-CD2 4.3Å; V307-L320 HydrophobicContact CG1-CB 3.96Å; V307-L320 HydrophobicContact CG1-CD2 3.93Å; V307-L320 PolarHBondContact O-N 2.86Å; V307-P323 HydrophobicContact CG2-CG 4.26Å
308	P	85.5	Confident	70.7	Confident	5 Å²	5	59 Å²	59	3%	0.032	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.3	176.6	24.9	-30	0	0	0	112	C293 A296 T306 F318 W582 L584	C293-P308 HydrophobicContact CB-CG 4.13Å; C293-P308 PolarHBondContact N-O 3.14Å; C293-P308 WeakPolarHBondContact O-CD 3.47Å; A296-P308 HydrophobicContact CB-CG 4.1Å; T306-P308 VanDerWaalsContact O-CD 3.31Å; T306-P308 WeakPolarHBondContact O-CD 3.25Å; P308-F318 WeakPolarHBondContact CA-O 3.4Å; P308-W582 HydrophobicContact CB-CD2 3.93Å; P308-W582 HydrophobicContact CB-CE3 3.22Å; P308-W582 HydrophobicContact CB-CG 4.48Å; P308-W582 HydrophobicContact CB-CZ3 3.61Å; P308-W582 HydrophobicContact CG-CB 4.41Å; P308-W582 HydrophobicContact CG-CD2 4.21Å; P308-W582 HydrophobicContact CG-CE3 3.99Å; P308-W582 HydrophobicContact CG-CG 4.37Å; P308-L584 HydrophobicContact CG-CD2 4.07Å
309	C	86.9	Confident	72.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.3	174.5	-56	0	0	0	0	109.1	M290 V291 V317 F318 L595	M290-C309 HydrophobicContact CB-CB 4.43Å; M290-C309 HydrophobicContact SD-CB 4.09Å; V291-C309 CarbonylContact O-C 3.54Å; V291-C309 WeakPolarHBondContact O-CA 3.27Å; C309-V317 WeakPolarHBondContact O-CA 3.21Å; C309-F318 HydrophobicContact CB-CB 4.26Å; C309-F318 PolarHBondContact N-O 3.4Å; C309-F318 PolarHBondContact O-N 3.5Å; C309-L595 HydrophobicContact CB-CD1 4.04Å
310	L	85.8	Confident	74.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.6	174.7	-173.8	53.8	0	0	0	109.8	M290 V291 T312 V317 Y575 W582	M290-L310 CarbonylContact C-O 3.54Å; M290-L310 WeakPolarHBondContact CA-O 3.41Å; M290-L310 WeakPolarHBondContact CB-O 3.36Å; V291-L310 HydrophobicContact CB-CB 4.19Å; V291-L310 PolarHBondContact N-O 3.13Å; V291-L310 PolarHBondContact O-N 3.4Å; L310-T312 HydrophobicContact CD2-CG2 4.06Å; L310-T312 HydrophobicContact CG-CG2 4.13Å; L310-V317 HydrophobicContact CD1-CG2 3.99Å; L310-Y575 HydrophobicContact CD1-CE1 4.08Å; L310-Y575 HydrophobicContact CD2-CD1 3.97Å; L310-Y575 HydrophobicContact CD2-CE1 3.65Å; L310-W582 HydrophobicContact CB-CH2 3.51Å; L310-W582 HydrophobicContact CB-CZ2 4.15Å; L310-W582 HydrophobicContact CB-CZ3 4.49Å; L310-W582 HydrophobicContact CD1-CH2 3.73Å; L310-W582 HydrophobicContact CD1-CZ2 4.3Å; L310-W582 HydrophobicContact CD2-CH2 4.33Å; L310-W582 HydrophobicContact CD2-CZ2 4.28Å; L310-W582 HydrophobicContact CG-CH2 4.01Å; L310-W582 HydrophobicContact CG-CZ2 4.45Å
311	D	85.9	Confident	76.4	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.5	160.2	-179.3	-12	0	0	0	108.5	S288 M290 A313 T314 G315 R316 F318	S288-D311 PolarHBondContact OG-OD1 2.64Å; S288-D311 PolarHBondContact OG-OD2 2.99Å; M290-D311 HydrophobicContact CE-CB 4.17Å; M290-D311 HydrophobicContact CG-CB 4.16Å; M290-D311 HydrophobicContact SD-CB 4.38Å; D311-A313 VanDerWaalsContact C-N 3.32Å; D311-A313 WeakPolarHBondContact OD1-CB 3.36Å; D311-A313 PolarHBondContact OD1-N 3.05Å; D311-T314 WeakPolarHBondContact CB-OG1 3.45Å; D311-T314 PolarHBondContact OD1-N 3.23Å; D311-T314 WeakPolarHBondContact OD2-CG2 3.33Å; D311-T314 PolarHBondContact OD2-OG1 3.06Å; D311-G315 CarbonylContact O-C 3.53Å; D311-G315 WeakPolarHBondContact O-CA 3.35Å; D311-G315 PolarHBondContact O-N 3.29Å; D311-R316 PolarHBondContact N-O 3.35Å; D311-F318 HydrophobicContact CB-CE2 4.07Å
312	T	80.2	Confident	78.3	Confident	32 Å²	32	50.5 Å²	50.5	20%	0.196	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.1	-178.6	52.5	0	0	0	0	113	V291 L310 L533 L561	V291-T312 HydrophobicContact CG2-CG2 4.23Å; L310-T312 HydrophobicContact CD2-CG2 4.06Å; L310-T312 HydrophobicContact CG-CG2 4.13Å; T312-L533 HydrophobicContact CG2-CD2 3.8Å; T312-L561 HydrophobicContact CG2-CD2 4.03Å
313	A	80.5	Confident	80.1	Confident	76 Å²	76	46.5 Å²	46.5	63%	0.628	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-41.8	178.4	0	0	0	0	0	111.2	D311	D311-A313 VanDerWaalsContact C-N 3.32Å; D311-A313 WeakPolarHBondContact OD1-CB 3.36Å; D311-A313 PolarHBondContact OD1-N 3.05Å
314	T	81.3	Confident	81.6	Confident	76 Å²	76	40 Å²	40	47%	0.466	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-13.9	-179.1	66	0	0	0	0	113.8	D311 R316	D311-T314 WeakPolarHBondContact CB-OG1 3.45Å; D311-T314 PolarHBondContact OD1-N 3.23Å; D311-T314 WeakPolarHBondContact OD2-CG2 3.33Å; D311-T314 PolarHBondContact OD2-OG1 3.06Å; T314-R316 PolarHBondContact O-N 3.02Å; T314-R316 WeakPolarHBondContact OG1-CB 3.35Å; T314-R316 PolarHBondContact OG1-N 3.41Å
315	G	78.2	Confident	82.7	Confident	28 Å²	28	35.8 Å²	35.8	29%	0.289	20%	0.199	S	C	.	.			trans	68	7.1	-171.6	0	0	0	0	0	113.8	D311	D311-G315 CarbonylContact O-C 3.53Å; D311-G315 WeakPolarHBondContact O-CA 3.35Å; D311-G315 PolarHBondContact O-N 3.29Å
316	R	82.6	Confident	83.2	Confident	150 Å²	150	38 Å²	38	57%	0.566	21%	0.211	S	C	*	.			trans	-82.4	155.9	-178.3	-67.7	-179.4	176.2	165.9	0.2	111.5	D311 T314 F318	D311-R316 PolarHBondContact N-O 3.35Å; T314-R316 PolarHBondContact O-N 3.02Å; T314-R316 WeakPolarHBondContact OG1-CB 3.35Å; T314-R316 PolarHBondContact OG1-N 3.41Å; R316-F318 HydrophobicContact CB-CE2 3.87Å; R316-F318 HydrophobicContact CB-CZ 4.12Å
317	V	82.8	Confident	83.6	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.1	-174.9	164.1	0	0	0	0	111.4	C309 L310 L581 W582 V603	C309-V317 WeakPolarHBondContact O-CA 3.21Å; L310-V317 HydrophobicContact CD1-CG2 3.99Å; V317-L581 HydrophobicContact CB-CD2 3.8Å; V317-L581 HydrophobicContact CG1-CD2 4.33Å; V317-L581 HydrophobicContact CG2-CD2 3.27Å; V317-W582 HydrophobicContact CB-CE3 4.31Å; V317-W582 HydrophobicContact CB-CH2 4.42Å; V317-W582 HydrophobicContact CB-CZ3 3.7Å; V317-W582 HydrophobicContact CG1-CE3 3.48Å; V317-W582 VanDerWaalsContact CG1-CE3 3.48Å; V317-W582 HydrophobicContact CG1-CH2 4.33Å; V317-W582 HydrophobicContact CG1-CZ3 3.21Å; V317-W582 HydrophobicContact CG2-CE3 3.93Å; V317-W582 HydrophobicContact CG2-CH2 3.39Å; V317-W582 HydrophobicContact CG2-CZ2 4.47Å; V317-W582 HydrophobicContact CG2-CZ3 3.12Å; V317-V603 HydrophobicContact CG1-CB 4.15Å; V317-V603 HydrophobicContact CG1-CG2 4.08Å; V317-V603 PolarHBondContact O-N 2.76Å
318	F	86.1	Confident	83.6	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.5	-180	-57.1	-88.8	0	0	0	110.7	M290 P308 C309 D311 R316 P597 L600 K602	M290-F318 HydrophobicContact CE-CD2 3.74Å; M290-F318 HydrophobicContact CE-CE2 3.69Å; M290-F318 HydrophobicContact CE-CZ 4.47Å; M290-F318 HydrophobicContact SD-CD2 3.75Å; M290-F318 HydrophobicContact SD-CE2 4.28Å; M290-F318 HydrophobicContact SD-CG 4.5Å; P308-F318 WeakPolarHBondContact CA-O 3.4Å; C309-F318 HydrophobicContact CB-CB 4.26Å; C309-F318 PolarHBondContact N-O 3.4Å; C309-F318 PolarHBondContact O-N 3.5Å; D311-F318 HydrophobicContact CB-CE2 4.07Å; R316-F318 HydrophobicContact CB-CE2 3.87Å; R316-F318 HydrophobicContact CB-CZ 4.12Å; F318-P597 HydrophobicContact CE1-CB 3.84Å; F318-P597 HydrophobicContact CE2-CB 4.43Å; F318-P597 HydrophobicContact CZ-CB 3.74Å; F318-P597 HydrophobicContact CZ-CG 4.48Å; F318-L600 HydrophobicContact CB-CB 3.89Å; F318-L600 HydrophobicContact CB-CD1 3.59Å; F318-L600 HydrophobicContact CB-CG 4.4Å; F318-L600 HydrophobicContact CD1-CB 4.07Å; F318-L600 HydrophobicContact CD1-CD1 4.47Å; F318-L600 HydrophobicContact CG-CB 4.27Å; F318-L600 HydrophobicContact CG-CD1 3.99Å; F318-K602 HydrophobicContact CD1-CG 4.07Å; F318-K602 HydrophobicContact CE1-CG 3.9Å
319	K	85.3	Confident	83.5	Confident	78 Å²	78	38.7 Å²	38.7	34%	0.339	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.3	172.4	-89.7	165.4	-162.9	166.9	0	109.9	Q601 V603	K319-Q601 HydrophobicContact CB-CB 4.13Å; K319-Q601 PolarHBondContact N-O 3.19Å; K319-Q601 PolarHBondContact O-N 2.99Å; K319-V603 HydrophobicContact CB-CG2 3.96Å; K319-V603 HydrophobicContact CD-CG2 3.49Å; K319-V603 VanDerWaalsContact CD-CG2 3.49Å; K319-V603 VanDerWaalsContact CE-CG2 3.4Å; K319-V603 HydrophobicContact CG-CG2 3.37Å
320	L	87.3	Confident	83.6	Confident	7 Å²	7	39 Å²	39	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	150.1	165.7	-167.9	126.3	0	0	0	109.3	I292 V307 Y366 W373 L595 L600	I292-L320 HydrophobicContact CD1-CD1 4.37Å; V307-L320 HydrophobicContact CB-CB 4.07Å; V307-L320 HydrophobicContact CB-CD2 4.3Å; V307-L320 HydrophobicContact CG1-CB 3.96Å; V307-L320 HydrophobicContact CG1-CD2 3.93Å; V307-L320 PolarHBondContact O-N 2.86Å; L320-Y366 HydrophobicContact CD1-CD1 4.34Å; L320-Y366 HydrophobicContact CD1-CD2 4.37Å; L320-Y366 HydrophobicContact CD1-CE1 3.71Å; L320-Y366 HydrophobicContact CD1-CE2 3.75Å; L320-Y366 WeakPolarHBondContact CD1-OH 3.34Å; L320-Y366 HydrophobicContact CD2-CD2 4.21Å; L320-Y366 HydrophobicContact CD2-CE2 3.93Å; L320-Y366 HydrophobicContact CG-CD2 4.39Å; L320-Y366 HydrophobicContact CG-CE2 3.66Å; L320-W373 HydrophobicContact CD2-CZ2 3.81Å; L320-L595 HydrophobicContact CD1-CD1 4.04Å; L320-L595 HydrophobicContact CD1-CD2 4.2Å; L320-L600 HydrophobicContact CD1-CD2 4.48Å
321	C	86.9	Confident	83.8	Confident	28 Å²	28	39.2 Å²	39.2	19%	0.189	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-62	151	177.6	71.4	0	0	0	0	111	N371 W373	C321-N371 WeakPolarHBondContact CB-O 3.33Å; C321-N371 VanDerWaalsContact CB-OD1 3.29Å; C321-N371 WeakPolarHBondContact CB-OD1 3.42Å; C321-N371 PolarHBondContact N-OD1 3.29Å; C321-N371 VanDerWaalsContact SG-C 3.51Å; C321-N371 PolarHBondContact SG-O 3.2Å; C321-W373 PolarHBondContact O-NE1 2.7Å; C321-W373 PolarHBondContact SG-NE1 2.79Å; C321-W373 VanDerWaalsContact SG-NE1 3.39Å
322	K	85	Confident	84.1	Confident	90 Å²	90	40.2 Å²	40.2	39%	0.391	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-70	146	-173.3	-58.2	178.8	-170.4	-153	0	110.1	Q305 W373	Q305-K322 WeakPolarHBondContact O-CD 3.26Å; Q305-K322 WeakPolarHBondContact O-CE 3.47Å; Q305-K322 PolarHBondContact O-NZ 3.39Å; K322-W373 PolarHBondContact O-NE1 3.25Å
323	P	85.6	Confident	84.8	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.026	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-48.3	136.8	165.5	-26.7	34.9	0	0	0	109.8	F294 V307 D326 L327 I342	F294-P323 HydrophobicContact CD1-CG 4.2Å; F294-P323 HydrophobicContact CE1-CG 4.37Å; V307-P323 HydrophobicContact CG2-CG 4.26Å; P323-D326 PolarHBondContact O-N 3.04Å; P323-L327 HydrophobicContact CB-CB 4.42Å; P323-I342 HydrophobicContact CB-CD1 4.07Å
324	P	85.1	Confident	85.5	Confident	22 Å²	22	37.9 Å²	37.9	14%	0.143	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.1	146.8	176.4	-28.5	40.5	0	0	0	110.3	D326 L327 W364 W373	P324-D326 PolarHBondContact O-N 2.86Å; P324-L327 VanDerWaalsContact O-CG 3.27Å; P324-L327 WeakPolarHBondContact O-CG 3.49Å; P324-L327 PolarHBondContact O-N 3.11Å; P324-W364 HydrophobicContact CB-CD2 4.06Å; P324-W364 HydrophobicContact CB-CE3 4.26Å; P324-W364 HydrophobicContact CB-CH2 3.83Å; P324-W364 HydrophobicContact CB-CZ2 3.58Å; P324-W364 HydrophobicContact CB-CZ3 4.14Å; P324-W364 HydrophobicContact CG-CD2 3.56Å; P324-W364 HydrophobicContact CG-CE3 3.6Å; P324-W364 HydrophobicContact CG-CG 4.11Å; P324-W364 HydrophobicContact CG-CH2 4.05Å; P324-W364 HydrophobicContact CG-CZ2 4.01Å; P324-W364 HydrophobicContact CG-CZ3 3.83Å; P324-W373 HydrophobicContact CG-CB 3.43Å; P324-W373 VanDerWaalsContact CG-CB 3.43Å; P324-W373 HydrophobicContact CG-CG 3.83Å
325	N	80.6	Confident	85.9	Confident	88 Å²	88	34.8 Å²	34.8	47%	0.471	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	58.3	17.7	176.4	-52.6	-37.6	0	0	0	116.3	L327 R347 D362	N325-L327 HydrophobicContact CB-CG 4.49Å; N325-L327 PolarHBondContact O-N 3.15Å; N325-R347 VanDerWaalsContact O-CG 3.31Å; N325-R347 WeakPolarHBondContact O-CG 3.34Å; N325-D362 PolarHBondContact ND2-OD2 3.34Å
326	D	78.9	Confident	86.3	Confident	46 Å²	46	38.4 Å²	38.4	25%	0.246	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	56.4	34.6	-175.3	-156.2	66.3	0	0	0	112.8	Q305 P323 P324 R328 P348	Q305-D326 WeakPolarHBondContact CB-OD1 3.31Å; Q305-D326 PolarHBondContact OE1-OD1 3.39Å; P323-D326 PolarHBondContact O-N 3.04Å; P324-D326 PolarHBondContact O-N 2.86Å; D326-R328 WeakPolarHBondContact O-CG 3.48Å; D326-R328 IonicContact OD2-CZ 2.85Å; D326-R328 IonicContact OD2-NE 2.66Å; D326-R328 PolarHBondContact OD2-NE 2.89Å; D326-R328 IonicContact OD2-NH2 3.7Å; D326-R328 PolarHBondContact OD2-NH2 3.42Å; D326-P348 WeakPolarHBondContact O-CD 3.21Å; D326-P348 WeakPolarHBondContact OD2-CG 3.37Å
327	L	82.4	Confident	86.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.188	C	C	.	.			trans	-56.6	136.2	177.1	-72.3	168.2	0	0	0	111.3	Q305 P323 P324 N325 V330 E360 D362	Q305-L327 PolarHBondContact NE2-O 3.47Å; P323-L327 HydrophobicContact CB-CB 4.42Å; P324-L327 VanDerWaalsContact O-CG 3.27Å; P324-L327 WeakPolarHBondContact O-CG 3.49Å; P324-L327 PolarHBondContact O-N 3.11Å; N325-L327 HydrophobicContact CB-CG 4.49Å; N325-L327 PolarHBondContact O-N 3.15Å; L327-V330 HydrophobicContact CB-CG1 3.66Å; L327-E360 HydrophobicContact CD2-CB 3.94Å; L327-E360 HydrophobicContact CD2-CG 3.79Å; L327-D362 HydrophobicContact CD1-CB 3.85Å
328	R	82.7	Confident	86.6	Confident	37 Å²	37	37 Å²	37	14%	0.14	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-127.7	154.8	179.5	-55	-169.4	-174.1	-156.1	3.2	111.8	D326 V330 G345 Y346	D326-R328 WeakPolarHBondContact O-CG 3.48Å; D326-R328 IonicContact OD2-CZ 2.85Å; D326-R328 IonicContact OD2-NE 2.66Å; D326-R328 PolarHBondContact OD2-NE 2.89Å; D326-R328 IonicContact OD2-NH2 3.7Å; D326-R328 PolarHBondContact OD2-NH2 3.42Å; R328-V330 PolarHBondContact O-N 3.48Å; R328-G345 CarbonylContact O-C 3.55Å; R328-G345 WeakPolarHBondContact O-CA 3.33Å; R328-Y346 HydrophobicContact CB-CD1 4.24Å; R328-Y346 HydrophobicContact CB-CE1 3.76Å; R328-Y346 PolarHBondContact N-O 2.87Å; R328-Y346 WeakPolarHBondContact O-CD1 3.24Å; R328-Y346 PolarHBondContact O-N 3.21Å
329	E	82.9	Confident	86.8	Confident	33 Å²	33	37.5 Å²	37.5	15%	0.154	20%	0.197	C	C	.	.	S	Bend	trans	52.8	41.6	-175.6	-65.1	-174.1	-142.9	0	0	112.2	D295 Y346 I384 G385 R401	D295-E329 PolarHBondContact OD2-N 3.04Å; E329-Y346 HydrophobicContact CB-CD1 4.21Å; E329-Y346 HydrophobicContact CB-CE1 4.09Å; E329-Y346 HydrophobicContact CG-CE1 3.91Å; E329-I384 HydrophobicContact CB-CG2 3.82Å; E329-G385 WeakPolarHBondContact O-CA 3.43Å; E329-G385 PolarHBondContact O-N 3.24Å; E329-R401 IonicContact OE1-NH2 2.74Å; E329-R401 PolarHBondContact OE1-NH2 3.3Å; E329-R401 IonicContact OE2-CZ 3.48Å; E329-R401 IonicContact OE2-NH1 2.6Å; E329-R401 PolarHBondContact OE2-NH1 3.47Å; E329-R401 IonicContact OE2-NH2 2.8Å; E329-R401 PolarHBondContact OE2-NH2 3.07Å
330	V	88.8	Confident	87.2	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.042	18%	0.181	C	C	.	.			trans	-72.6	148	175.3	-61.5	0	0	0	0	110.6	L327 R328 I332 I342	L327-V330 HydrophobicContact CB-CG1 3.66Å; R328-V330 PolarHBondContact O-N 3.48Å; V330-I332 HydrophobicContact CG2-CD1 4.33Å; V330-I332 HydrophobicContact CG2-CG1 3.79Å; V330-I342 HydrophobicContact CB-CB 4.32Å; V330-I342 HydrophobicContact CG2-CB 4.16Å; V330-I342 HydrophobicContact CG2-CG2 4.11Å
331	G	90.7	Very high	87.6	Confident	4 Å²	4	34.2 Å²	34.2	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.2	161.9	0	0	0	0	0	108.9	I342 A343 C386 L388	G331-I342 CarbonylContact O-C 3.46Å; G331-I342 VanDerWaalsContact O-CA 3.23Å; G331-I342 WeakPolarHBondContact O-CA 3.26Å; G331-A343 PolarHBondContact N-O 3.26Å; G331-A343 PolarHBondContact O-N 3.1Å; G331-C386 VanDerWaalsContact CA-O 3.27Å; G331-C386 WeakPolarHBondContact CA-O 3.34Å; G331-L388 WeakPolarHBondContact O-CD1 3.31Å
332	I	93.1	Very high	88	Confident	27 Å²	27	32.9 Å²	32.9	14%	0.138	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.1	-177.5	-49.9	156	0	0	0	108.4	F294 V330 Y341 I342 E589 V591	F294-I332 HydrophobicContact CB-CD1 3.62Å; F294-I332 HydrophobicContact CD1-CD1 4.28Å; F294-I332 HydrophobicContact CD2-CD1 3.5Å; F294-I332 VanDerWaalsContact CD2-CD1 3.5Å; F294-I332 HydrophobicContact CD2-CG1 4.32Å; F294-I332 HydrophobicContact CD2-CG2 4.33Å; F294-I332 HydrophobicContact CE2-CD1 4.19Å; F294-I332 HydrophobicContact CE2-CG2 3.94Å; F294-I332 HydrophobicContact CG-CD1 3.53Å; F294-I332 HydrophobicContact CG-CG1 4.36Å; F294-I332 HydrophobicContact CZ-CG2 4.36Å; V330-I332 HydrophobicContact CG2-CD1 4.33Å; V330-I332 HydrophobicContact CG2-CG1 3.79Å; I332-Y341 WeakPolarHBondContact CA-O 3.49Å; I332-I342 HydrophobicContact CG1-CG2 4.22Å; I332-I342 HydrophobicContact CG2-CG2 4.37Å; I332-E589 HydrophobicContact CD1-CB 3.6Å; I332-E589 HydrophobicContact CD1-CG 4.34Å; I332-V591 HydrophobicContact CB-CG1 3.98Å; I332-V591 HydrophobicContact CG2-CB 4.37Å; I332-V591 HydrophobicContact CG2-CG1 3.53Å; I332-V591 HydrophobicContact CG2-CG2 4.02Å
333	L	94.6	Very high	88.4	Confident	20 Å²	20	28.6 Å²	28.6	11%	0.105	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.4	175.5	172.5	66.5	0	0	0	109.9	I340 Y341 L388 H390 L395	L333-I340 WeakPolarHBondContact O-CA 3.42Å; L333-Y341 PolarHBondContact N-O 3.36Å; L333-Y341 PolarHBondContact O-N 3.43Å; L333-L388 HydrophobicContact CB-CB 3.53Å; L333-L388 HydrophobicContact CB-CD1 4.06Å; L333-L388 HydrophobicContact CB-CG 4.48Å; L333-L388 HydrophobicContact CD2-CB 4.14Å; L333-L388 HydrophobicContact CG-CB 4.4Å; L333-H390 HydrophobicContact CD1-CB 4.22Å; L333-H390 HydrophobicContact CD2-CB 4.13Å; L333-L395 HydrophobicContact CD2-CB 4.24Å; L333-L395 HydrophobicContact CD2-CD2 3.51Å; L333-L395 HydrophobicContact CD2-CG 4.3Å
334	V	93.9	Very high	88.7	Confident	39 Å²	39	28.4 Å²	28.4	24%	0.236	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119	164.9	-175.5	0	0	0	0	106.4	D339 I340 V591 A593	V334-D339 CarbonylContact C-O 3.58Å; V334-D339 WeakPolarHBondContact CA-O 3.46Å; V334-I340 HydrophobicContact CG2-CG1 4.27Å; V334-I340 HydrophobicContact CG2-CG2 4.45Å; V334-V591 HydrophobicContact CG2-CB 3.92Å; V334-V591 HydrophobicContact CG2-CG2 3.91Å; V334-A593 HydrophobicContact CG1-CB 3.88Å; V334-A593 HydrophobicContact CG2-CB 4.09Å
335	S	91.4	Very high	88.9	Confident	10 Å²	10	27.3 Å²	27.3	7%	0.07	15%	0.147	C	C	.	.			trans	-72.7	161.7	179	73.9	0	0	0	0	110.9	E337 N338 D339	S335-E337 PolarHBondContact O-N 3.08Å; S335-E337 VanDerWaalsContact O-N 3.14Å; S335-E337 PolarHBondContact OG-N 2.98Å; S335-N338 WeakPolarHBondContact O-CA 3.44Å; S335-N338 PolarHBondContact O-N 3.28Å; S335-D339 PolarHBondContact N-O 2.93Å; S335-D339 WeakPolarHBondContact OG-CB 3.44Å; S335-D339 PolarHBondContact OG-N 3.37Å
336	P	86.5	Confident	89.1	Confident	105 Å²	105	23.8 Å²	23.8	68%	0.682	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.1	171.8	-26.1	36	0	0	0	113.5	N338 H390	P336-N338 PolarHBondContact O-N 2.99Å; P336-H390 WeakPolarHBondContact CD-ND1 3.4Å
337	E	83.4	Confident	89.2	Confident	95 Å²	95	25.5 Å²	25.5	44%	0.444	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	12.6	175.1	-56.6	-175	-169.7	0	0	113.7	K177 S335 D339	K177-E337 IonicContact NZ-OE2 3.37Å; K177-E337 PolarHBondContact NZ-OE2 3.29Å; S335-E337 PolarHBondContact O-N 3.08Å; S335-E337 VanDerWaalsContact O-N 3.14Å; S335-E337 PolarHBondContact OG-N 2.98Å; E337-D339 VanDerWaalsContact C-N 3.28Å; E337-D339 PolarHBondContact O-N 3.48Å
338	N	88.1	Confident	88.7	Confident	29 Å²	29	27.4 Å²	27.4	16%	0.155	14%	0.142	C	C	.	.			trans	64.4	24.3	179.8	-167	62.8	0	0	0	114.5	S335 P336 H368 K594	S335-N338 WeakPolarHBondContact O-CA 3.44Å; S335-N338 PolarHBondContact O-N 3.28Å; P336-N338 PolarHBondContact O-N 2.99Å; N338-H368 PolarHBondContact O-CE1 2.93Å; N338-H368 PolarHBondContact O-NE2 3.11Å; N338-K594 PolarHBondContact ND2-O 3.46Å; N338-K594 PolarHBondContact OD1-N 3.25Å
339	D	90.1	Very high	87.9	Confident	17 Å²	17	28.5 Å²	28.5	9%	0.091	16%	0.156	C	C	.	.			trans	-82.9	131.4	169.5	-63.7	-60.6	0	0	0	110.3	K177 V334 S335 E337 Y341 Q365	K177-D339 VanDerWaalsContact NZ-CG 3.33Å; K177-D339 IonicContact NZ-OD1 3.2Å; K177-D339 PolarHBondContact NZ-OD1 2.93Å; K177-D339 IonicContact NZ-OD2 3.27Å; K177-D339 PolarHBondContact NZ-OD2 2.96Å; V334-D339 CarbonylContact C-O 3.58Å; V334-D339 WeakPolarHBondContact CA-O 3.46Å; S335-D339 PolarHBondContact N-O 2.93Å; S335-D339 WeakPolarHBondContact OG-CB 3.44Å; S335-D339 PolarHBondContact OG-N 3.37Å; E337-D339 VanDerWaalsContact C-N 3.28Å; E337-D339 PolarHBondContact O-N 3.48Å; D339-Y341 HydrophobicContact CB-CD2 4.22Å; D339-Y341 HydrophobicContact CB-CE2 3.4Å; D339-Y341 VanDerWaalsContact CB-CE2 3.4Å; D339-Q365 PolarHBondContact OD1-NE2 3.47Å; D339-Q365 VanDerWaalsContact OD1-NE2 3.12Å
340	I	94.3	Very high	86.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.2	178.5	-47.5	175	0	0	0	108.6	I292 L333 V334 Q365 Y366 W373 A593 L595	I292-I340 HydrophobicContact CD1-CD1 3.63Å; L333-I340 WeakPolarHBondContact O-CA 3.42Å; V334-I340 HydrophobicContact CG2-CG1 4.27Å; V334-I340 HydrophobicContact CG2-CG2 4.45Å; I340-Q365 CarbonylContact O-C 3.52Å; I340-Q365 WeakPolarHBondContact O-CA 3.37Å; I340-Y366 HydrophobicContact CD1-CD1 3.92Å; I340-Y366 PolarHBondContact O-N 3.25Å; I340-W373 HydrophobicContact CG2-CH2 4.06Å; I340-A593 HydrophobicContact CD1-CB 3.67Å; I340-A593 HydrophobicContact CG1-CB 3.98Å; I340-L595 HydrophobicContact CD1-CD2 3.89Å
341	Y	95.1	Very high	85.2	Confident	16 Å²	16	37.4 Å²	37.4	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.4	177.7	-61.3	-84.4	0	0	0	111	I332 L333 D339 F363 W364 Q365 L395	I332-Y341 WeakPolarHBondContact CA-O 3.49Å; L333-Y341 PolarHBondContact N-O 3.36Å; L333-Y341 PolarHBondContact O-N 3.43Å; D339-Y341 HydrophobicContact CB-CD2 4.22Å; D339-Y341 HydrophobicContact CB-CE2 3.4Å; D339-Y341 VanDerWaalsContact CB-CE2 3.4Å; Y341-F363 HydrophobicContact CD1-CE1 4.27Å; Y341-F363 AromaticContact CD1-CE2 3.99Å; Y341-F363 HydrophobicContact CD1-CE2 3.99Å; Y341-F363 AromaticContact CD1-CZ 3.47Å; Y341-F363 HydrophobicContact CD1-CZ 3.47Å; Y341-F363 VanDerWaalsContact CD1-CZ 3.47Å; Y341-F363 HydrophobicContact CE1-CZ 4.15Å; Y341-F363 HydrophobicContact CG-CE2 4.28Å; Y341-F363 HydrophobicContact CG-CZ 4.05Å; Y341-W364 WeakPolarHBondContact CA-O 3.32Å; Y341-Q365 HydrophobicContact CD1-CB 3.82Å; Y341-Q365 HydrophobicContact CD1-CG 3.96Å; Y341-Q365 HydrophobicContact CE1-CB 3.7Å; Y341-Q365 HydrophobicContact CE1-CG 3.54Å; Y341-Q365 PolarHBondContact OH-NE2 3.34Å; Y341-L395 HydrophobicContact CD1-CD1 3.99Å; Y341-L395 HydrophobicContact CD2-CD1 3.79Å; Y341-L395 HydrophobicContact CD2-CD2 4.48Å; Y341-L395 HydrophobicContact CE1-CD1 3.98Å; Y341-L395 HydrophobicContact CE2-CD1 3.76Å; Y341-L395 HydrophobicContact CE2-CD2 4.29Å; Y341-L395 HydrophobicContact CG-CD1 3.89Å
342	I	94.4	Very high	83.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	168	61.7	176.8	0	0	0	110	F294 P323 V330 G331 I332 F363 W364 W373	F294-I342 HydrophobicContact CE1-CG2 4.06Å; F294-I342 HydrophobicContact CZ-CG2 4.33Å; P323-I342 HydrophobicContact CB-CD1 4.07Å; V330-I342 HydrophobicContact CB-CB 4.32Å; V330-I342 HydrophobicContact CG2-CB 4.16Å; V330-I342 HydrophobicContact CG2-CG2 4.11Å; G331-I342 CarbonylContact O-C 3.46Å; G331-I342 VanDerWaalsContact O-CA 3.23Å; G331-I342 WeakPolarHBondContact O-CA 3.26Å; I332-I342 HydrophobicContact CG1-CG2 4.22Å; I332-I342 HydrophobicContact CG2-CG2 4.37Å; I342-F363 VanDerWaalsContact O-CD2 3.24Å; I342-F363 WeakPolarHBondContact O-CD2 3.17Å; I342-W364 HydrophobicContact CD1-CB 4.13Å; I342-W364 HydrophobicContact CD1-CG 4.44Å; I342-W364 HydrophobicContact CG1-CB 3.7Å; I342-W364 HydrophobicContact CG1-CG 4.33Å; I342-W364 PolarHBondContact N-O 3.29Å; I342-W364 PolarHBondContact O-N 3.3Å; I342-W373 HydrophobicContact CB-CH2 4.38Å; I342-W373 HydrophobicContact CB-CZ3 4.19Å; I342-W373 HydrophobicContact CD1-CD2 3.96Å; I342-W373 HydrophobicContact CD1-CE3 3.77Å; I342-W373 HydrophobicContact CD1-CH2 3.99Å; I342-W373 HydrophobicContact CD1-CZ2 4.16Å; I342-W373 HydrophobicContact CD1-CZ3 3.79Å; I342-W373 HydrophobicContact CG1-CE3 3.84Å; I342-W373 HydrophobicContact CG1-CH2 4.07Å; I342-W373 HydrophobicContact CG1-CZ3 3.58Å; I342-W373 HydrophobicContact CG2-CH2 3.51Å; I342-W373 HydrophobicContact CG2-CZ2 4.32Å; I342-W373 HydrophobicContact CG2-CZ3 3.77Å
343	A	94.4	Very high	81.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.1	-179.5	0	0	0	0	0	112.5	G331 D362 F363 L379 L388	G331-A343 PolarHBondContact N-O 3.26Å; G331-A343 PolarHBondContact O-N 3.1Å; A343-D362 CarbonylContact C-O 3.56Å; A343-D362 WeakPolarHBondContact CA-O 3.24Å; A343-F363 HydrophobicContact CB-CD2 3.65Å; A343-F363 HydrophobicContact CB-CE2 4.19Å; A343-L379 HydrophobicContact CB-CD1 4.07Å; A343-L388 HydrophobicContact CB-CD1 3.67Å; A343-L388 HydrophobicContact CB-CD2 3.78Å; A343-L388 HydrophobicContact CB-CG 4.08Å
344	G	91.4	Very high	78.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.			trans	64.1	-134	175.5	0	0	0	0	0	113.2	E360 D362 R383	G344-E360 VanDerWaalsContact CA-O 3.26Å; G344-E360 WeakPolarHBondContact CA-O 3.48Å; G344-D362 PolarHBondContact N-O 3.23Å; G344-R383 CarbonylContact C-O 3.58Å; G344-R383 WeakPolarHBondContact CA-O 3.28Å
345	G	88.6	Confident	77.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.326	C	S	.	.			trans	91	-168.1	-173.6	0	0	0	0	0	112.3	R328 E360 R383	R328-G345 CarbonylContact O-C 3.55Å; R328-G345 WeakPolarHBondContact O-CA 3.33Å; G345-E360 PolarHBondContact O-N 2.76Å; G345-R383 PolarHBondContact N-O 3.36Å
346	Y	85.4	Confident	75.5	Confident	13 Å²	13	63 Å²	63	5%	0.051	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-133.2	154.8	174.2	74.5	-81.5	0	0	0	110.7	R328 E329 H357 R358 I384	R328-Y346 HydrophobicContact CB-CD1 4.24Å; R328-Y346 HydrophobicContact CB-CE1 3.76Å; R328-Y346 PolarHBondContact N-O 2.87Å; R328-Y346 WeakPolarHBondContact O-CD1 3.24Å; R328-Y346 PolarHBondContact O-N 3.21Å; E329-Y346 HydrophobicContact CB-CD1 4.21Å; E329-Y346 HydrophobicContact CB-CE1 4.09Å; E329-Y346 HydrophobicContact CG-CE1 3.91Å; Y346-H357 AromaticContact CD2-ND1 3.62Å; Y346-H357 AromaticContact CE2-ND1 3.54Å; Y346-H357 AromaticContact CZ-ND1 3.92Å; Y346-R358 WeakPolarHBondContact CA-O 3.36Å; Y346-R358 WeakPolarHBondContact CB-O 3.48Å; Y346-I384 HydrophobicContact CD1-CG2 4Å; Y346-I384 HydrophobicContact CG-CD1 4.41Å
347	R	81	Confident	74.8	Confident	83 Å²	83	59.7 Å²	59.7	31%	0.313	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-97.3	124.5	175.3	-154.4	176.6	-60.7	96.5	1.6	109.5	N325 S349 E360 D362	N325-R347 VanDerWaalsContact O-CG 3.31Å; N325-R347 WeakPolarHBondContact O-CG 3.34Å; R347-S349 PolarHBondContact O-N 3.08Å; R347-E360 IonicContact CZ-OE1 2.76Å; R347-E360 VanDerWaalsContact CZ-OE1 3.28Å; R347-E360 IonicContact CZ-OE2 2.62Å; R347-E360 VanDerWaalsContact NH1-CD 3.33Å; R347-E360 IonicContact NH1-OE1 3.39Å; R347-E360 PolarHBondContact NH1-OE1 2.66Å; R347-E360 IonicContact NH1-OE2 3.74Å; R347-E360 IonicContact NH2-OE1 3.06Å; R347-E360 PolarHBondContact NH2-OE1 2.67Å; R347-E360 IonicContact NH2-OE2 3.09Å; R347-E360 PolarHBondContact NH2-OE2 3.18Å; R347-D362 IonicContact NH2-OD2 3.09Å
348	P	71.8	Confident	74.6	Confident	41 Å²	41	62.9 Å²	62.9	27%	0.266	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.8	124.6	174.7	26.6	-32.3	0	0	0	109.9	D326	D326-P348 WeakPolarHBondContact O-CD 3.21Å; D326-P348 WeakPolarHBondContact OD2-CG 3.37Å
349	S	66.6	Low	74.6	Confident	60 Å²	60	62 Å²	62	42%	0.42	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-72.7	142.3	170	-179.8	0	0	0	0	110.6	R347 S351	R347-S349 PolarHBondContact O-N 3.08Å; S349-S351 PolarHBondContact O-N 2.69Å; S349-S351 PolarHBondContact OG-N 2.88Å
350	N	58.4	Low	74.6	Confident	169 Å²	169	62 Å²	62	90%	0.904	32%	0.324	S	S	*	.	S	Bend	trans	-74.6	-2.3	172.7	-75.7	-12	0	0	0	113
351	S	55.3	Low	74.6	Confident	57 Å²	57	63.7 Å²	63.7	40%	0.399	34%	0.336	S	S	.	.			trans	-81.2	120.9	178.9	-174.9	0	0	0	0	111	S349 V353	S349-S351 PolarHBondContact O-N 2.69Å; S349-S351 PolarHBondContact OG-N 2.88Å; S351-V353 PolarHBondContact O-N 2.83Å; S351-V353 PolarHBondContact OG-N 2.92Å
352	E	50.8	Low	74.5	Confident	203 Å²	203	64.5 Å²	64.5	95%	0.949	34%	0.341	S	S	*	.	S	Bend	trans	-65.7	-13	172.1	-65.6	-176.4	160	0	0	113
353	V	49.3	Very low	74.5	Confident	130 Å²	130	64.7 Å²	64.7	79%	0.788	34%	0.342	S	S	*	.	S	Bend	trans	-95	-27.7	-169.2	-173.4	0	0	0	0	112.7	S351	S351-V353 PolarHBondContact O-N 2.83Å; S351-V353 PolarHBondContact OG-N 2.92Å
354	C	47.7	Very low	74.6	Confident	78 Å²	78	66.6 Å²	66.6	53%	0.527	35%	0.349	S	S	.	.			trans	-138	117.9	-178	-57.7	0	0	0	0	110	D356	C354-D356 PolarHBondContact O-N 2.81Å
355	I	54.7	Low	74.7	Confident	141 Å²	141	67.6 Å²	67.6	72%	0.723	35%	0.354	S	S	*	.			trans	-73.9	83.4	167.3	-46.1	173.4	0	0	0	107.1	H357	I355-H357 WeakPolarHBondContact CG2-CE1 3.5Å; I355-H357 WeakPolarHBondContact CG2-NE2 3.35Å; I355-H357 PolarHBondContact O-N 3.36Å
356	D	58.4	Low	74.9	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	36%	0.355	S	S	.	.			trans	-70.4	99.4	174.2	-165	-2.2	0	0	0	108.2	C354 R358	C354-D356 PolarHBondContact O-N 2.81Å; D356-R358 PolarHBondContact O-N 3.28Å; D356-R358 WeakPolarHBondContact OD1-CB 3.45Å; D356-R358 PolarHBondContact OD1-N 2.87Å
357	H	71.1	Confident	75	Confident	36 Å²	36	68.6 Å²	68.6	17%	0.167	36%	0.359	C	S	.	.			trans	-90.6	44.9	172	-69.3	-60.9	0	0	0	110.1	Y346 I355 A359 I384 Y403	Y346-H357 AromaticContact CD2-ND1 3.62Å; Y346-H357 AromaticContact CE2-ND1 3.54Å; Y346-H357 AromaticContact CZ-ND1 3.92Å; I355-H357 WeakPolarHBondContact CG2-CE1 3.5Å; I355-H357 WeakPolarHBondContact CG2-NE2 3.35Å; I355-H357 PolarHBondContact O-N 3.36Å; H357-A359 PolarHBondContact O-N 2.85Å; H357-A359 VanDerWaalsContact O-N 3.08Å; H357-I384 HydrophobicContact CB-CD1 4.3Å; H357-I384 VanDerWaalsContact O-CD1 3.31Å; H357-I384 WeakPolarHBondContact O-CD1 3.46Å; H357-Y403 HydrophobicContact CB-CD1 4.41Å; H357-Y403 HydrophobicContact CB-CD2 3.33Å; H357-Y403 HydrophobicContact CB-CE1 4.46Å; H357-Y403 HydrophobicContact CB-CE2 3.42Å; H357-Y403 VanDerWaalsContact CB-CE2 3.42Å; H357-Y403 HydrophobicContact CB-CG 3.86Å; H357-Y403 AromaticContact CD2-CZ 3.86Å; H357-Y403 AromaticContact CG-CE2 3.91Å; H357-Y403 WeakPolarHBondContact O-CD2 3.47Å
358	R	80.8	Confident	75.2	Confident	161 Å²	161	66 Å²	66	61%	0.608	35%	0.35	S	S	*	.			trans	-58.4	118.4	173.6	-170.4	176	-178.2	-149.3	-2.3	108.9	Y346 D356	Y346-R358 WeakPolarHBondContact CA-O 3.36Å; Y346-R358 WeakPolarHBondContact CB-O 3.48Å; D356-R358 PolarHBondContact O-N 3.28Å; D356-R358 WeakPolarHBondContact OD1-CB 3.45Å; D356-R358 PolarHBondContact OD1-N 2.87Å
359	A	87.2	Confident	75.5	Confident	10 Å²	10	66.5 Å²	66.5	8%	0.083	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-68.3	141	174.1	0	0	0	0	0	109.1	H357 A382 I384 V402	H357-A359 PolarHBondContact O-N 2.85Å; H357-A359 VanDerWaalsContact O-N 3.08Å; A359-A382 HydrophobicContact CB-CB 3.85Å; A359-A382 WeakPolarHBondContact O-CB 3.46Å; A359-I384 HydrophobicContact CB-CD1 4.05Å; A359-I384 HydrophobicContact CB-CG1 3.75Å; A359-V402 HydrophobicContact CB-CG2 3.91Å
360	E	90.5	Very high	76.2	Confident	17 Å²	17	65.5 Å²	65.5	8%	0.079	36%	0.357	C	S	.	.			trans	-105.7	153.8	175	-62.1	-67	154.3	0	0	109.8	L327 G344 G345 R347 D362 A382 R383	L327-E360 HydrophobicContact CD2-CB 3.94Å; L327-E360 HydrophobicContact CD2-CG 3.79Å; G344-E360 VanDerWaalsContact CA-O 3.26Å; G344-E360 WeakPolarHBondContact CA-O 3.48Å; G345-E360 PolarHBondContact O-N 2.76Å; R347-E360 IonicContact CZ-OE1 2.76Å; R347-E360 VanDerWaalsContact CZ-OE1 3.28Å; R347-E360 IonicContact CZ-OE2 2.62Å; R347-E360 VanDerWaalsContact NH1-CD 3.33Å; R347-E360 IonicContact NH1-OE1 3.39Å; R347-E360 PolarHBondContact NH1-OE1 2.66Å; R347-E360 IonicContact NH1-OE2 3.74Å; R347-E360 IonicContact NH2-OE1 3.06Å; R347-E360 PolarHBondContact NH2-OE1 2.67Å; R347-E360 IonicContact NH2-OE2 3.09Å; R347-E360 PolarHBondContact NH2-OE2 3.18Å; E360-D362 HydrophobicContact CB-CB 4.38Å; E360-A382 WeakPolarHBondContact O-CA 3.07Å; E360-R383 PolarHBondContact O-N 3.06Å; E360-R383 VanDerWaalsContact O-N 3.1Å
361	S	93.4	Very high	77.6	Confident	37 Å²	37	58.4 Å²	58.4	26%	0.259	32%	0.319	S	S	.	.			trans	-102.9	6.4	172.5	53	0	0	0	0	112.2	F363 P378 L379	S361-F363 PolarHBondContact O-N 2.87Å; S361-P378 CarbonylContact O-C 3.56Å; S361-P378 VanDerWaalsContact O-CA 3.24Å; S361-P378 WeakPolarHBondContact O-CA 3.45Å; S361-P378 WeakPolarHBondContact O-CB 3.44Å; S361-L379 WeakPolarHBondContact CB-O 3.32Å; S361-L379 PolarHBondContact O-N 3.21Å
362	D	92.9	Very high	79.3	Confident	33 Å²	33	62.4 Å²	62.4	18%	0.176	33%	0.325	C	S	.	.			trans	-54.3	132.4	-178.4	-82	5.5	0	0	0	111.6	N325 L327 A343 G344 R347 E360	N325-D362 PolarHBondContact ND2-OD2 3.34Å; L327-D362 HydrophobicContact CD1-CB 3.85Å; A343-D362 CarbonylContact C-O 3.56Å; A343-D362 WeakPolarHBondContact CA-O 3.24Å; G344-D362 PolarHBondContact N-O 3.23Å; R347-D362 IonicContact NH2-OD2 3.09Å; E360-D362 HydrophobicContact CB-CB 4.38Å
363	F	95.4	Very high	81.3	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128	176.3	-176.9	-128.5	0	0	0	109.6	Y341 I342 A343 S361 R376 A377 L395 Y417 W424	Y341-F363 HydrophobicContact CD1-CE1 4.27Å; Y341-F363 AromaticContact CD1-CE2 3.99Å; Y341-F363 HydrophobicContact CD1-CE2 3.99Å; Y341-F363 AromaticContact CD1-CZ 3.47Å; Y341-F363 HydrophobicContact CD1-CZ 3.47Å; Y341-F363 VanDerWaalsContact CD1-CZ 3.47Å; Y341-F363 HydrophobicContact CE1-CZ 4.15Å; Y341-F363 HydrophobicContact CG-CE2 4.28Å; Y341-F363 HydrophobicContact CG-CZ 4.05Å; I342-F363 VanDerWaalsContact O-CD2 3.24Å; I342-F363 WeakPolarHBondContact O-CD2 3.17Å; A343-F363 HydrophobicContact CB-CD2 3.65Å; A343-F363 HydrophobicContact CB-CE2 4.19Å; S361-F363 PolarHBondContact O-N 2.87Å; F363-R376 HydrophobicContact CD1-CB 3.3Å; F363-R376 HydrophobicContact CD1-CG 4.24Å; F363-R376 HydrophobicContact CE1-CB 3.72Å; F363-R376 HydrophobicContact CE1-CG 4.22Å; F363-R376 HydrophobicContact CG-CB 4.15Å; F363-R376 PolarHBondContact O-N 2.86Å; F363-A377 VanDerWaalsContact CB-O 3.32Å; F363-A377 WeakPolarHBondContact CB-O 3.21Å; F363-A377 WeakPolarHBondContact CD1-O 3.32Å; F363-L395 HydrophobicContact CZ-CD1 3.8Å; F363-Y417 HydrophobicContact CD1-CD2 4.26Å; F363-Y417 HydrophobicContact CD1-CE2 4.05Å; F363-Y417 AromaticContact CE1-CD1 3.94Å; F363-Y417 HydrophobicContact CE1-CD1 3.94Å; F363-Y417 AromaticContact CE1-CD2 3.87Å; F363-Y417 HydrophobicContact CE1-CD2 3.87Å; F363-Y417 AromaticContact CE1-CE1 3.78Å; F363-Y417 HydrophobicContact CE1-CE1 3.78Å; F363-Y417 AromaticContact CE1-CE2 3.71Å; F363-Y417 HydrophobicContact CE1-CE2 3.71Å; F363-Y417 AromaticContact CE1-CG 3.97Å; F363-Y417 HydrophobicContact CE1-CG 3.97Å; F363-Y417 AromaticContact CE1-CZ 3.67Å; F363-Y417 HydrophobicContact CZ-CD1 4.3Å; F363-Y417 HydrophobicContact CZ-CE1 4.39Å; F363-Y417 HydrophobicContact CZ-CG 4.48Å; F363-W424 AromaticContact CD1-CE2 3.99Å; F363-W424 AromaticContact CD1-CZ2 3.82Å; F363-W424 HydrophobicContact CD1-CZ2 3.82Å; F363-W424 AromaticContact CD1-NE1 3.57Å; F363-W424 AromaticContact CD2-CZ2 3.8Å; F363-W424 HydrophobicContact CD2-CZ2 3.8Å; F363-W424 AromaticContact CE1-CZ2 3.85Å; F363-W424 HydrophobicContact CE1-CZ2 3.85Å; F363-W424 HydrophobicContact CE2-CH2 4.46Å; F363-W424 AromaticContact CE2-CZ2 3.79Å; F363-W424 HydrophobicContact CE2-CZ2 3.79Å; F363-W424 AromaticContact CG-CZ2 3.84Å; F363-W424 HydrophobicContact CG-CZ2 3.84Å; F363-W424 AromaticContact CG-NE1 3.91Å; F363-W424 AromaticContact CZ-CZ2 3.83Å; F363-W424 HydrophobicContact CZ-CZ2 3.83Å
364	W	94.9	Very high	83.3	Confident	41 Å²	41	50.2 Å²	50.2	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.3	-173.1	-56.4	82.7	0	0	0	111.5	P324 Y341 I342 W373 L374 P375	P324-W364 HydrophobicContact CB-CD2 4.06Å; P324-W364 HydrophobicContact CB-CE3 4.26Å; P324-W364 HydrophobicContact CB-CH2 3.83Å; P324-W364 HydrophobicContact CB-CZ2 3.58Å; P324-W364 HydrophobicContact CB-CZ3 4.14Å; P324-W364 HydrophobicContact CG-CD2 3.56Å; P324-W364 HydrophobicContact CG-CE3 3.6Å; P324-W364 HydrophobicContact CG-CG 4.11Å; P324-W364 HydrophobicContact CG-CH2 4.05Å; P324-W364 HydrophobicContact CG-CZ2 4.01Å; P324-W364 HydrophobicContact CG-CZ3 3.83Å; Y341-W364 WeakPolarHBondContact CA-O 3.32Å; I342-W364 HydrophobicContact CD1-CB 4.13Å; I342-W364 HydrophobicContact CD1-CG 4.44Å; I342-W364 HydrophobicContact CG1-CB 3.7Å; I342-W364 HydrophobicContact CG1-CG 4.33Å; I342-W364 PolarHBondContact N-O 3.29Å; I342-W364 PolarHBondContact O-N 3.3Å; W364-W373 HydrophobicContact CB-CB 4.37Å; W364-W373 HydrophobicContact CB-CE3 3.83Å; W364-W373 HydrophobicContact CD2-CB 4.48Å; W364-W373 HydrophobicContact CE3-CB 3.92Å; W364-L374 WeakPolarHBondContact CA-O 3.1Å; W364-L374 VanDerWaalsContact CE3-C 3.41Å; W364-P375 HydrophobicContact CD2-CB 4.43Å; W364-P375 VanDerWaalsContact CE3-CA 3.42Å; W364-P375 HydrophobicContact CE3-CB 3.86Å; W364-P375 VanDerWaalsContact CE3-N 3.27Å; W364-P375 HydrophobicContact CH2-CB 3.92Å; W364-P375 HydrophobicContact CH2-CG 4.5Å; W364-P375 HydrophobicContact CZ2-CB 4.48Å; W364-P375 HydrophobicContact CZ3-CB 3.6Å; W364-P375 HydrophobicContact CZ3-CG 4Å
365	Q	94.4	Very high	85.4	Confident	21 Å²	21	50.7 Å²	50.7	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.9	170.1	-175.5	179.9	10.5	0	0	109.5	D339 I340 Y341 L374 R376	D339-Q365 PolarHBondContact OD1-NE2 3.47Å; D339-Q365 VanDerWaalsContact OD1-NE2 3.12Å; I340-Q365 CarbonylContact O-C 3.52Å; I340-Q365 WeakPolarHBondContact O-CA 3.37Å; Y341-Q365 HydrophobicContact CD1-CB 3.82Å; Y341-Q365 HydrophobicContact CD1-CG 3.96Å; Y341-Q365 HydrophobicContact CE1-CB 3.7Å; Y341-Q365 HydrophobicContact CE1-CG 3.54Å; Y341-Q365 PolarHBondContact OH-NE2 3.34Å; Q365-L374 PolarHBondContact N-O 2.86Å; Q365-L374 PolarHBondContact O-N 2.82Å; Q365-R376 HydrophobicContact CB-CG 4.06Å; Q365-R376 VanDerWaalsContact OE1-CZ 3.22Å
366	Y	92.5	Very high	87.3	Confident	5 Å²	5	48 Å²	48	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.7	175.8	-176.3	-112.8	0	0	0	111.2	L320 I340 H368 N371 W373 L595	L320-Y366 HydrophobicContact CD1-CD1 4.34Å; L320-Y366 HydrophobicContact CD1-CD2 4.37Å; L320-Y366 HydrophobicContact CD1-CE1 3.71Å; L320-Y366 HydrophobicContact CD1-CE2 3.75Å; L320-Y366 WeakPolarHBondContact CD1-OH 3.34Å; L320-Y366 HydrophobicContact CD2-CD2 4.21Å; L320-Y366 HydrophobicContact CD2-CE2 3.93Å; L320-Y366 HydrophobicContact CG-CD2 4.39Å; L320-Y366 HydrophobicContact CG-CE2 3.66Å; I340-Y366 HydrophobicContact CD1-CD1 3.92Å; I340-Y366 PolarHBondContact O-N 3.25Å; Y366-H368 AromaticContact CD1-CD2 3.94Å; Y366-H368 AromaticContact CD1-NE2 3.96Å; Y366-H368 HydrophobicContact CE1-CB 4.48Å; Y366-H368 AromaticContact CE1-CD2 3.85Å; Y366-N371 WeakPolarHBondContact OH-CA 3.31Å; Y366-N371 PolarHBondContact OH-OD1 3.01Å; Y366-W373 HydrophobicContact CD2-CD2 4.16Å; Y366-W373 AromaticContact CD2-CE2 3.91Å; Y366-W373 HydrophobicContact CD2-CH2 4.44Å; Y366-W373 HydrophobicContact CD2-CZ2 4.07Å; Y366-W373 HydrophobicContact CG-CH2 4.46Å; Y366-L595 HydrophobicContact CE1-CD2 4.04Å
367	E	88.4	Confident	89	Confident	28 Å²	28	44.9 Å²	44.9	13%	0.131	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.8	167.1	-176.5	178.8	-122.4	0	0	110.3	K176 N371 R372 L374	K176-E367 IonicContact NZ-OE1 3.81Å; K176-E367 PolarHBondContact NZ-OE1 2.82Å; E367-N371 PolarHBondContact O-N 3.06Å; E367-N371 VanDerWaalsContact O-N 3.13Å; E367-R372 HydrophobicContact CB-CG 4.16Å; E367-R372 PolarHBondContact N-O 2.78Å; E367-R372 PolarHBondContact O-N 2.83Å; E367-R372 IonicContact OE2-CZ 3.82Å; E367-R372 VanDerWaalsContact OE2-CZ 3.26Å; E367-R372 IonicContact OE2-NE 2.62Å; E367-R372 PolarHBondContact OE2-NE 2.79Å; E367-R372 IonicContact OE2-NH2 2.62Å; E367-R372 PolarHBondContact OE2-NH2 3.04Å; E367-L374 HydrophobicContact CB-CD1 3.94Å; E367-L374 HydrophobicContact CB-CG 4.1Å
368	H	84.1	Confident	90.1	Very high	28 Å²	28	46.7 Å²	46.7	13%	0.13	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-49	-179	-64.8	88.4	0	0	0	114.1	N338 Y366 G370 N371 Y596 C599	N338-H368 PolarHBondContact O-CE1 2.93Å; N338-H368 PolarHBondContact O-NE2 3.11Å; Y366-H368 AromaticContact CD1-CD2 3.94Å; Y366-H368 AromaticContact CD1-NE2 3.96Å; Y366-H368 HydrophobicContact CE1-CB 4.48Å; Y366-H368 AromaticContact CE1-CD2 3.85Å; H368-G370 PolarHBondContact O-N 2.65Å; H368-N371 PolarHBondContact O-N 2.9Å; H368-Y596 HydrophobicContact CB-CD2 3.72Å; H368-Y596 HydrophobicContact CB-CE2 3.59Å; H368-Y596 AromaticContact CD2-CE2 3.97Å; H368-Y596 AromaticContact CG-CE2 3.86Å; H368-C599 VanDerWaalsContact O-CB 3.32Å; H368-C599 WeakPolarHBondContact O-CB 3.41Å
369	A	78.2	Confident	90.8	Very high	53 Å²	53	39.4 Å²	39.4	44%	0.438	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-41.1	-173.6	0	0	0	0	0	112.8
370	G	80.9	Confident	91.2	Very high	38 Å²	38	44 Å²	44	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.4	-178.4	0	0	0	0	0	114.8	H368 R372	H368-G370 PolarHBondContact O-N 2.65Å; G370-R372 VanDerWaalsContact C-N 3.27Å; G370-R372 PolarHBondContact O-N 2.83Å
371	N	88.2	Confident	91.2	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.107	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	54.9	-170.9	-173.8	11.4	0	0	0	111.3	C321 Y366 E367 H368 C599	C321-N371 WeakPolarHBondContact CB-O 3.33Å; C321-N371 VanDerWaalsContact CB-OD1 3.29Å; C321-N371 WeakPolarHBondContact CB-OD1 3.42Å; C321-N371 PolarHBondContact N-OD1 3.29Å; C321-N371 VanDerWaalsContact SG-C 3.51Å; C321-N371 PolarHBondContact SG-O 3.2Å; Y366-N371 WeakPolarHBondContact OH-CA 3.31Å; Y366-N371 PolarHBondContact OH-OD1 3.01Å; E367-N371 PolarHBondContact O-N 3.06Å; E367-N371 VanDerWaalsContact O-N 3.13Å; H368-N371 PolarHBondContact O-N 2.9Å; N371-C599 WeakPolarHBondContact CB-O 3.44Å
372	R	90.4	Very high	91.1	Very high	141 Å²	141	47 Å²	47	53%	0.532	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.2	-176.1	62.8	179.8	156.7	-170.2	-9.2	111.6	E367 G370	E367-R372 HydrophobicContact CB-CG 4.16Å; E367-R372 PolarHBondContact N-O 2.78Å; E367-R372 PolarHBondContact O-N 2.83Å; E367-R372 IonicContact OE2-CZ 3.82Å; E367-R372 VanDerWaalsContact OE2-CZ 3.26Å; E367-R372 IonicContact OE2-NE 2.62Å; E367-R372 PolarHBondContact OE2-NE 2.79Å; E367-R372 IonicContact OE2-NH2 2.62Å; E367-R372 PolarHBondContact OE2-NH2 3.04Å; G370-R372 VanDerWaalsContact C-N 3.27Å; G370-R372 PolarHBondContact O-N 2.83Å
373	W	92.8	Very high	91.1	Very high	20 Å²	20	45.5 Å²	45.5	8%	0.076	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.9	175	-66.9	94.9	0	0	0	110.1	F294 L320 C321 K322 P324 I340 I342 W364 Y366	F294-W373 HydrophobicContact CE1-CH2 4.1Å; F294-W373 AromaticContact CE1-CZ2 3.81Å; F294-W373 HydrophobicContact CE1-CZ2 3.81Å; F294-W373 HydrophobicContact CZ-CH2 4.03Å; F294-W373 HydrophobicContact CZ-CZ2 4.01Å; L320-W373 HydrophobicContact CD2-CZ2 3.81Å; C321-W373 PolarHBondContact O-NE1 2.7Å; C321-W373 PolarHBondContact SG-NE1 2.79Å; C321-W373 VanDerWaalsContact SG-NE1 3.39Å; K322-W373 PolarHBondContact O-NE1 3.25Å; P324-W373 HydrophobicContact CG-CB 3.43Å; P324-W373 VanDerWaalsContact CG-CB 3.43Å; P324-W373 HydrophobicContact CG-CG 3.83Å; I340-W373 HydrophobicContact CG2-CH2 4.06Å; I342-W373 HydrophobicContact CB-CH2 4.38Å; I342-W373 HydrophobicContact CB-CZ3 4.19Å; I342-W373 HydrophobicContact CD1-CD2 3.96Å; I342-W373 HydrophobicContact CD1-CE3 3.77Å; I342-W373 HydrophobicContact CD1-CH2 3.99Å; I342-W373 HydrophobicContact CD1-CZ2 4.16Å; I342-W373 HydrophobicContact CD1-CZ3 3.79Å; I342-W373 HydrophobicContact CG1-CE3 3.84Å; I342-W373 HydrophobicContact CG1-CH2 4.07Å; I342-W373 HydrophobicContact CG1-CZ3 3.58Å; I342-W373 HydrophobicContact CG2-CH2 3.51Å; I342-W373 HydrophobicContact CG2-CZ2 4.32Å; I342-W373 HydrophobicContact CG2-CZ3 3.77Å; W364-W373 HydrophobicContact CB-CB 4.37Å; W364-W373 HydrophobicContact CB-CE3 3.83Å; W364-W373 HydrophobicContact CD2-CB 4.48Å; W364-W373 HydrophobicContact CE3-CB 3.92Å; Y366-W373 HydrophobicContact CD2-CD2 4.16Å; Y366-W373 AromaticContact CD2-CE2 3.91Å; Y366-W373 HydrophobicContact CD2-CH2 4.44Å; Y366-W373 HydrophobicContact CD2-CZ2 4.07Å; Y366-W373 HydrophobicContact CG-CH2 4.46Å
374	L	91.3	Very high	90.8	Very high	57 Å²	57	45.3 Å²	45.3	30%	0.298	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.3	175.9	-61	178.9	0	0	0	109.4	W364 Q365 E367	W364-L374 WeakPolarHBondContact CA-O 3.1Å; W364-L374 VanDerWaalsContact CE3-C 3.41Å; Q365-L374 PolarHBondContact N-O 2.86Å; Q365-L374 PolarHBondContact O-N 2.82Å; E367-L374 HydrophobicContact CB-CD1 3.94Å; E367-L374 HydrophobicContact CB-CG 4.1Å
375	P	93.4	Very high	90.4	Very high	89 Å²	89	44.5 Å²	44.5	58%	0.578	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	140.6	178.8	28.4	-31.5	0	0	0	110	W364	W364-P375 HydrophobicContact CD2-CB 4.43Å; W364-P375 VanDerWaalsContact CE3-CA 3.42Å; W364-P375 HydrophobicContact CE3-CB 3.86Å; W364-P375 VanDerWaalsContact CE3-N 3.27Å; W364-P375 HydrophobicContact CH2-CB 3.92Å; W364-P375 HydrophobicContact CH2-CG 4.5Å; W364-P375 HydrophobicContact CZ2-CB 4.48Å; W364-P375 HydrophobicContact CZ3-CB 3.6Å; W364-P375 HydrophobicContact CZ3-CG 4Å
376	R	94.1	Very high	90.3	Very high	84 Å²	84	43.6 Å²	43.6	32%	0.317	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	172.7	171.8	-66	-60.6	-173.8	-179.3	-1.4	109	F363 Q365	F363-R376 HydrophobicContact CD1-CB 3.3Å; F363-R376 HydrophobicContact CD1-CG 4.24Å; F363-R376 HydrophobicContact CE1-CB 3.72Å; F363-R376 HydrophobicContact CE1-CG 4.22Å; F363-R376 HydrophobicContact CG-CB 4.15Å; F363-R376 PolarHBondContact O-N 2.86Å; Q365-R376 HydrophobicContact CB-CG 4.06Å; Q365-R376 VanDerWaalsContact OE1-CZ 3.22Å
377	A	93.1	Very high	90.3	Very high	20 Å²	20	46.5 Å²	46.5	17%	0.165	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.5	-179.1	0	0	0	0	0	111.1	F363 N422 W424	F363-A377 VanDerWaalsContact CB-O 3.32Å; F363-A377 WeakPolarHBondContact CB-O 3.21Å; F363-A377 WeakPolarHBondContact CD1-O 3.32Å; A377-N422 WeakPolarHBondContact CB-O 3.45Å; A377-N422 PolarHBondContact N-OD1 2.89Å; A377-W424 VanDerWaalsContact O-CD1 3.24Å; A377-W424 PolarHBondContact O-NE1 2.85Å
378	P	95.4	Very high	90.7	Very high	75 Å²	75	45.8 Å²	45.8	49%	0.487	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.9	152.9	-177.1	29.1	-35.2	0	0	0	110.8	S361	S361-P378 CarbonylContact O-C 3.56Å; S361-P378 VanDerWaalsContact O-CA 3.24Å; S361-P378 WeakPolarHBondContact O-CA 3.45Å; S361-P378 WeakPolarHBondContact O-CB 3.44Å
379	L	95.1	Very high	91.2	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-54.7	146.7	170.2	-65	159.8	0	0	0	110.4	A343 S361 R381 A397 E415 W424	A343-L379 HydrophobicContact CB-CD1 4.07Å; S361-L379 WeakPolarHBondContact CB-O 3.32Å; S361-L379 PolarHBondContact O-N 3.21Å; L379-R381 VanDerWaalsContact C-N 3.25Å; L379-R381 WeakPolarHBondContact CB-O 3.32Å; L379-R381 PolarHBondContact O-N 2.77Å; L379-A397 HydrophobicContact CD2-CB 3.7Å; L379-E415 WeakPolarHBondContact CA-OE2 3.23Å; L379-W424 HydrophobicContact CD2-CD2 3.88Å; L379-W424 HydrophobicContact CD2-CE3 4.03Å; L379-W424 HydrophobicContact CD2-CH2 3.79Å; L379-W424 HydrophobicContact CD2-CZ2 3.61Å; L379-W424 HydrophobicContact CD2-CZ3 3.99Å; L379-W424 HydrophobicContact CG-CZ2 4.47Å
380	L	94.7	Very high	92	Very high	107 Å²	107	44.3 Å²	44.3	56%	0.56	24%	0.236	S	C	*	.	S	Bend	trans	-63.5	-34.4	174.2	-59.2	177.7	0	0	0	111.6	E415 W424 A426	L380-E415 HydrophobicContact CB-CG 4.39Å; L380-E415 WeakPolarHBondContact CB-OE2 3.33Å; L380-E415 HydrophobicContact CD1-CG 4.32Å; L380-E415 PolarHBondContact N-OE2 2.93Å; L380-W424 HydrophobicContact CD1-CB 4.45Å; L380-W424 HydrophobicContact CD2-CB 4.33Å; L380-W424 HydrophobicContact CG-CB 3.87Å; L380-A426 HydrophobicContact CD1-CB 4.1Å
381	R	91.4	Very high	92.7	Very high	93 Å²	93	42.5 Å²	42.5	35%	0.351	22%	0.217	S	C	.	.	S	Bend	trans	-125.6	135.9	175	-170.5	172.2	178.1	99.8	9.7	110.1	L379 R383 E404 L411 E415	L379-R381 VanDerWaalsContact C-N 3.25Å; L379-R381 WeakPolarHBondContact CB-O 3.32Å; L379-R381 PolarHBondContact O-N 2.77Å; R381-R383 WeakPolarHBondContact O-CG 3.49Å; R381-R383 PolarHBondContact O-NE 2.82Å; R381-E404 IonicContact CZ-OE2 2.84Å; R381-E404 IonicContact NH2-OE1 3.71Å; R381-E404 IonicContact NH2-OE2 3.78Å; R381-E404 PolarHBondContact NH2-OE2 3.38Å; R381-L411 VanDerWaalsContact NE-CD2 3.26Å; R381-E415 PolarHBondContact N-OE1 2.96Å; R381-E415 VanDerWaalsContact N-OE1 3.07Å
382	A	91.7	Very high	92.8	Very high	25 Å²	25	43.8 Å²	43.8	21%	0.207	23%	0.228	C	C	.	.			trans	-69.3	138.1	173.9	0	0	0	0	0	111.8	A359 E360	A359-A382 HydrophobicContact CB-CB 3.85Å; A359-A382 WeakPolarHBondContact O-CB 3.46Å; E360-A382 WeakPolarHBondContact O-CA 3.07Å
383	R	92.2	Very high	92.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.			trans	-147.5	140.5	-169.3	-55.6	163.1	-178.9	-103	7	111.7	G344 G345 E360 R381 C386 G399 L411 S413 E415	G344-R383 CarbonylContact C-O 3.58Å; G344-R383 WeakPolarHBondContact CA-O 3.28Å; G345-R383 PolarHBondContact N-O 3.36Å; E360-R383 PolarHBondContact O-N 3.06Å; E360-R383 VanDerWaalsContact O-N 3.1Å; R381-R383 WeakPolarHBondContact O-CG 3.49Å; R381-R383 PolarHBondContact O-NE 2.82Å; R383-C386 HydrophobicContact CB-CB 4.11Å; R383-G399 PolarHBondContact NH1-O 2.96Å; R383-L411 HydrophobicContact CB-CD1 4.33Å; R383-L411 HydrophobicContact CG-CD1 3.68Å; R383-S413 VanDerWaalsContact CZ-OG 3.25Å; R383-S413 PolarHBondContact NH1-O 2.93Å; R383-S413 PolarHBondContact NH1-OG 3Å; R383-S413 VanDerWaalsContact NH1-OG 3.16Å; R383-S413 VanDerWaalsContact NH2-CB 3.3Å; R383-S413 PolarHBondContact NH2-O 3.19Å; R383-S413 PolarHBondContact NH2-OG 3.43Å; R383-E415 IonicContact CZ-OE1 3.68Å; R383-E415 IonicContact NE-OE1 2.74Å; R383-E415 PolarHBondContact NE-OE1 2.65Å; R383-E415 IonicContact NH2-OE1 3.7Å; R383-E415 PolarHBondContact NH2-OE1 3.45Å
384	I	90.2	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-109.1	132.1	170.4	-57.3	167.4	0	0	0	109.2	E329 Y346 H357 A359 C386 G400 R401 Y403	E329-I384 HydrophobicContact CB-CG2 3.82Å; Y346-I384 HydrophobicContact CD1-CG2 4Å; Y346-I384 HydrophobicContact CG-CD1 4.41Å; H357-I384 HydrophobicContact CB-CD1 4.3Å; H357-I384 VanDerWaalsContact O-CD1 3.31Å; H357-I384 WeakPolarHBondContact O-CD1 3.46Å; A359-I384 HydrophobicContact CB-CD1 4.05Å; A359-I384 HydrophobicContact CB-CG1 3.75Å; I384-C386 VanDerWaalsContact C-N 3.3Å; I384-C386 PolarHBondContact O-N 2.94Å; I384-G400 WeakPolarHBondContact O-CA 3.29Å; I384-R401 HydrophobicContact CB-CG 3.94Å; I384-R401 HydrophobicContact CG2-CG 4.42Å; I384-R401 PolarHBondContact N-O 2.98Å; I384-R401 PolarHBondContact O-N 2.86Å; I384-Y403 HydrophobicContact CD1-CD2 3.77Å; I384-Y403 HydrophobicContact CD1-CE2 3.83Å
385	G	85.9	Confident	93	Very high	23 Å²	23	39.9 Å²	39.9	24%	0.237	23%	0.229	C	C	.	.	S	Bend	trans	62.3	33	175.6	0	0	0	0	0	114.2	E329	E329-G385 WeakPolarHBondContact O-CA 3.43Å; E329-G385 PolarHBondContact O-N 3.24Å
386	C	92.1	Very high	93.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-65.9	158.4	170.9	62.3	0	0	0	0	110.8	G331 R383 I384 L398	G331-C386 VanDerWaalsContact CA-O 3.27Å; G331-C386 WeakPolarHBondContact CA-O 3.34Å; R383-C386 HydrophobicContact CB-CB 4.11Å; I384-C386 VanDerWaalsContact C-N 3.3Å; I384-C386 PolarHBondContact O-N 2.94Å; C386-L398 WeakPolarHBondContact CA-O 3.37Å; C386-L398 WeakPolarHBondContact CB-O 3.14Å
387	K	93.5	Very high	93.3	Very high	66 Å²	66	32.2 Å²	32.2	29%	0.287	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.7	170.2	-65.5	-58.7	-177.5	-174.7	0	109.7	L398 H437 A439	K387-L398 HydrophobicContact CB-CB 4.47Å; K387-L398 PolarHBondContact N-O 3.21Å; K387-L398 PolarHBondContact O-N 3.19Å; K387-H437 WeakPolarHBondContact CE-O 3.44Å; K387-H437 WeakPolarHBondContact CG-NE2 3.42Å; K387-H437 WeakPolarHBondContact CG-O 3.26Å; K387-A439 HydrophobicContact CB-CB 4.05Å
388	L	95.5	Very high	93.5	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134	173.6	-68.8	-179.9	0	0	0	109.2	G331 L333 A343 Y396 A397 W424	G331-L388 WeakPolarHBondContact O-CD1 3.31Å; L333-L388 HydrophobicContact CB-CB 3.53Å; L333-L388 HydrophobicContact CB-CD1 4.06Å; L333-L388 HydrophobicContact CB-CG 4.48Å; L333-L388 HydrophobicContact CD2-CB 4.14Å; L333-L388 HydrophobicContact CG-CB 4.4Å; A343-L388 HydrophobicContact CB-CD1 3.67Å; A343-L388 HydrophobicContact CB-CD2 3.78Å; A343-L388 HydrophobicContact CB-CG 4.08Å; L388-Y396 CarbonylContact C-O 3.54Å; L388-Y396 VanDerWaalsContact CA-O 3.26Å; L388-Y396 WeakPolarHBondContact CA-O 3.36Å; L388-A397 HydrophobicContact CD2-CB 3.79Å; L388-W424 HydrophobicContact CD2-CH2 4.22Å
389	V	95.6	Very high	93.4	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.6	179.5	179.5	0	0	0	0	109.4	L395 Y396 L398 A439 E441 I446	V389-L395 CarbonylContact O-C 3.56Å; V389-L395 WeakPolarHBondContact O-CA 3.4Å; V389-Y396 PolarHBondContact N-O 3.35Å; V389-Y396 PolarHBondContact O-N 3.35Å; V389-L398 HydrophobicContact CB-CD1 4.3Å; V389-L398 HydrophobicContact CG2-CD1 3.67Å; V389-A439 HydrophobicContact CG2-CB 3.53Å; V389-E441 HydrophobicContact CG1-CB 3.75Å; V389-I446 HydrophobicContact CB-CD1 4.49Å; V389-I446 HydrophobicContact CG1-CD1 4.25Å; V389-I446 HydrophobicContact CG1-CG1 4.13Å; V389-I446 HydrophobicContact CG1-CG2 4.27Å; V389-I446 HydrophobicContact CG2-CG2 4.44Å
390	H	95.3	Very high	93.2	Very high	41 Å²	41	27.3 Å²	27.3	19%	0.19	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.1	169	172.4	-85.7	0	0	0	109.2	L333 P336 K394 L395 E441	L333-H390 HydrophobicContact CD1-CB 4.22Å; L333-H390 HydrophobicContact CD2-CB 4.13Å; P336-H390 WeakPolarHBondContact CD-ND1 3.4Å; H390-K394 WeakPolarHBondContact CA-O 3.31Å; H390-L395 HydrophobicContact CB-CD2 4.13Å; H390-E441 VanDerWaalsContact O-CB 3.31Å; H390-E441 WeakPolarHBondContact O-CB 3.49Å; H390-E441 VanDerWaalsContact O-CG 3.31Å; H390-E441 WeakPolarHBondContact O-CG 3.43Å
391	C	94.8	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	135.6	177.1	-168	0	0	0	0	110.7	G393 K394 Y396 E441 D444 I446	C391-G393 PolarHBondContact O-N 2.77Å; C391-G393 VanDerWaalsContact O-N 3.16Å; C391-K394 PolarHBondContact N-O 2.71Å; C391-K394 PolarHBondContact O-N 3.21Å; C391-K394 VanDerWaalsContact O-O 3.14Å; C391-Y396 HydrophobicContact CB-CD2 3.99Å; C391-Y396 HydrophobicContact CB-CE2 3.83Å; C391-Y396 WeakPolarHBondContact O-CE2 3.34Å; C391-E441 HydrophobicContact CB-CG 3.97Å; C391-D444 PolarHBondContact SG-O 2.94Å; C391-D444 VanDerWaalsContact SG-O 3.38Å; C391-I446 HydrophobicContact CB-CD1 3.79Å; C391-I446 HydrophobicContact CB-CG1 3.68Å
392	C	91.1	Very high	93	Very high	48 Å²	48	18.8 Å²	18.8	32%	0.324	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.3	-180	-54.1	0	0	0	0	114.6	K394 D444	C392-K394 PolarHBondContact O-N 2.6Å; C392-D444 WeakPolarHBondContact SG-CB 3.33Å; C392-D444 PolarHBondContact SG-OD1 2.77Å; C392-D444 VanDerWaalsContact SG-OD1 3.36Å
393	G	88.8	Confident	92.6	Very high	56 Å²	56	21.5 Å²	21.5	58%	0.577	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	6.3	-179.5	0	0	0	0	0	115.4	C391	C391-G393 PolarHBondContact O-N 2.77Å; C391-G393 VanDerWaalsContact O-N 3.16Å
394	K	93.6	Very high	91.9	Very high	72 Å²	72	25.8 Å²	25.8	31%	0.313	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	162.1	176.8	-58.4	-163.6	-173.2	-151.1	0	111.1	H390 C391 C392 Y396 C416 Y417 D418	H390-K394 WeakPolarHBondContact CA-O 3.31Å; C391-K394 PolarHBondContact N-O 2.71Å; C391-K394 PolarHBondContact O-N 3.21Å; C391-K394 VanDerWaalsContact O-O 3.14Å; C392-K394 PolarHBondContact O-N 2.6Å; K394-Y396 HydrophobicContact CB-CE2 3.93Å; K394-C416 WeakPolarHBondContact CD-SG 3.14Å; K394-Y417 WeakPolarHBondContact CB-O 3.41Å; K394-D418 WeakPolarHBondContact CE-OD2 3.28Å; K394-D418 IonicContact NZ-OD2 3.28Å; K394-D418 PolarHBondContact NZ-OD2 2.78Å
395	L	96.3	Very high	91.2	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.5	176.6	-41.5	172.2	0	0	0	109.8	L333 Y341 F363 V389 H390 C416 Y417	L333-L395 HydrophobicContact CD2-CB 4.24Å; L333-L395 HydrophobicContact CD2-CD2 3.51Å; L333-L395 HydrophobicContact CD2-CG 4.3Å; Y341-L395 HydrophobicContact CD1-CD1 3.99Å; Y341-L395 HydrophobicContact CD2-CD1 3.79Å; Y341-L395 HydrophobicContact CD2-CD2 4.48Å; Y341-L395 HydrophobicContact CE1-CD1 3.98Å; Y341-L395 HydrophobicContact CE2-CD1 3.76Å; Y341-L395 HydrophobicContact CE2-CD2 4.29Å; Y341-L395 HydrophobicContact CG-CD1 3.89Å; F363-L395 HydrophobicContact CZ-CD1 3.8Å; V389-L395 CarbonylContact O-C 3.56Å; V389-L395 WeakPolarHBondContact O-CA 3.4Å; H390-L395 HydrophobicContact CB-CD2 4.13Å; L395-C416 CarbonylContact O-C 3.56Å; L395-C416 WeakPolarHBondContact O-CA 3.34Å; L395-Y417 HydrophobicContact CB-CD1 4.46Å; L395-Y417 HydrophobicContact CD1-CD1 3.71Å; L395-Y417 HydrophobicContact CD1-CE1 4.29Å; L395-Y417 HydrophobicContact CG-CD1 4.11Å; L395-Y417 PolarHBondContact N-O 3.19Å; L395-Y417 PolarHBondContact O-N 2.99Å
396	Y	97	Very high	90.3	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	-178.4	-67.2	-98.4	0	0	0	109.9	L388 V389 C391 K394 V414 E415 C416 I446 Y457 P459	L388-Y396 CarbonylContact C-O 3.54Å; L388-Y396 VanDerWaalsContact CA-O 3.26Å; L388-Y396 WeakPolarHBondContact CA-O 3.36Å; V389-Y396 PolarHBondContact N-O 3.35Å; V389-Y396 PolarHBondContact O-N 3.35Å; C391-Y396 HydrophobicContact CB-CD2 3.99Å; C391-Y396 HydrophobicContact CB-CE2 3.83Å; C391-Y396 WeakPolarHBondContact O-CE2 3.34Å; K394-Y396 HydrophobicContact CB-CE2 3.93Å; Y396-V414 HydrophobicContact CD1-CG1 4.39Å; Y396-E415 CarbonylContact C-O 3.27Å; Y396-E415 VanDerWaalsContact CA-O 3.26Å; Y396-E415 WeakPolarHBondContact CA-O 3.27Å; Y396-C416 HydrophobicContact CD1-CB 3.98Å; Y396-C416 HydrophobicContact CE1-CB 3.67Å; Y396-I446 HydrophobicContact CD1-CD1 3.95Å; Y396-I446 HydrophobicContact CD2-CD1 3.55Å; Y396-I446 HydrophobicContact CE1-CD1 4.48Å; Y396-I446 HydrophobicContact CE2-CD1 4.14Å; Y396-I446 HydrophobicContact CG-CD1 3.46Å; Y396-I446 VanDerWaalsContact CG-CD1 3.46Å; Y396-Y457 HydrophobicContact CD1-CE1 4.15Å; Y396-Y457 AromaticContact CE1-CE1 3.76Å; Y396-Y457 HydrophobicContact CE1-CE1 3.76Å; Y396-P459 HydrophobicContact CE1-CB 4.46Å; Y396-P459 WeakPolarHBondContact OH-CB 3.5Å
397	A	96.8	Very high	89.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.5	172.5	0	0	0	0	0	110	L379 L388 V414 E415 W424	L379-A397 HydrophobicContact CD2-CB 3.7Å; L388-A397 HydrophobicContact CD2-CB 3.79Å; A397-V414 WeakPolarHBondContact O-CA 3.41Å; A397-E415 HydrophobicContact CB-CB 4.48Å; A397-E415 PolarHBondContact N-O 3.34Å; A397-E415 PolarHBondContact O-N 3.3Å; A397-E415 VanDerWaalsContact O-N 3.09Å; A397-W424 HydrophobicContact CB-CE3 4.5Å; A397-W424 HydrophobicContact CB-CH2 3.85Å; A397-W424 HydrophobicContact CB-CZ3 3.62Å
398	L	95.8	Very high	89.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.6	-171.4	-60.6	155.1	0	0	0	110.6	C386 K387 V389 G400 V414 H437 A439 I446 V448 W464	C386-L398 WeakPolarHBondContact CA-O 3.37Å; C386-L398 WeakPolarHBondContact CB-O 3.14Å; K387-L398 HydrophobicContact CB-CB 4.47Å; K387-L398 PolarHBondContact N-O 3.21Å; K387-L398 PolarHBondContact O-N 3.19Å; V389-L398 HydrophobicContact CB-CD1 4.3Å; V389-L398 HydrophobicContact CG2-CD1 3.67Å; L398-G400 PolarHBondContact O-N 2.99Å; L398-V414 HydrophobicContact CD2-CB 4.25Å; L398-V414 HydrophobicContact CD2-CG1 3.48Å; L398-V414 VanDerWaalsContact CD2-CG1 3.48Å; L398-V414 HydrophobicContact CD2-CG2 3.75Å; L398-V414 HydrophobicContact CG-CG1 4.36Å; L398-H437 PolarHBondContact O-CE1 3.39Å; L398-H437 VanDerWaalsContact O-CE1 3.22Å; L398-H437 PolarHBondContact O-NE2 3.07Å; L398-A439 HydrophobicContact CD1-CB 3.58Å; L398-I446 HydrophobicContact CD1-CG2 3.83Å; L398-V448 HydrophobicContact CD1-CG2 4.18Å; L398-V448 HydrophobicContact CD2-CG2 4.45Å; L398-W464 HydrophobicContact CD2-CH2 4.05Å; L398-W464 HydrophobicContact CD2-CZ2 4.22Å
399	G	93.4	Very high	88.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.			trans	51.3	-133.9	169.9	0	0	0	0	0	114.7	R383 L411 S413 M430	R383-G399 PolarHBondContact NH1-O 2.96Å; G399-L411 WeakPolarHBondContact CA-O 3.24Å; G399-S413 PolarHBondContact N-O 3.46Å; G399-M430 VanDerWaalsContact CA-CE 3.48Å
400	G	91.6	Very high	88.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.264	C	S	.	.			trans	98.9	-165.3	-173.5	0	0	0	0	0	111.2	I384 L398 L411 M434	I384-G400 WeakPolarHBondContact O-CA 3.29Å; L398-G400 PolarHBondContact O-N 2.99Å; G400-L411 PolarHBondContact O-N 3.41Å; G400-M434 PolarHBondContact N-O 2.83Å; G400-M434 VanDerWaalsContact N-O 3.15Å
401	R	90.9	Very high	88.6	Confident	16 Å²	16	43.5 Å²	43.5	6%	0.06	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.9	179	70.8	-173.7	-169.2	-97	0.4	112.5	E329 I384 Y403 R408 N409 E435	E329-R401 IonicContact OE1-NH2 2.74Å; E329-R401 PolarHBondContact OE1-NH2 3.3Å; E329-R401 IonicContact OE2-CZ 3.48Å; E329-R401 IonicContact OE2-NH1 2.6Å; E329-R401 PolarHBondContact OE2-NH1 3.47Å; E329-R401 IonicContact OE2-NH2 2.8Å; E329-R401 PolarHBondContact OE2-NH2 3.07Å; I384-R401 HydrophobicContact CB-CG 3.94Å; I384-R401 HydrophobicContact CG2-CG 4.42Å; I384-R401 PolarHBondContact N-O 2.98Å; I384-R401 PolarHBondContact O-N 2.86Å; R401-Y403 PolarHBondContact NE-OH 2.74Å; R401-R408 VanDerWaalsContact CD-NH2 3.29Å; R401-N409 CarbonylContact C-O 3.53Å; R401-N409 WeakPolarHBondContact CA-O 3.42Å; R401-E435 HydrophobicContact CB-CB 4.44Å; R401-E435 VanDerWaalsContact CD-OE2 3.31Å; R401-E435 WeakPolarHBondContact CD-OE2 3.39Å
402	V	90.3	Very high	88.6	Confident	4 Å²	4	49 Å²	49	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.1	172.8	68.1	0	0	0	0	109.5	A359 E404 N409 L411	A359-V402 HydrophobicContact CB-CG2 3.91Å; V402-E404 HydrophobicContact CG1-CB 4.4Å; V402-E404 HydrophobicContact CG1-CG 4.4Å; V402-E404 HydrophobicContact CG2-CG 3.79Å; V402-E404 WeakPolarHBondContact CG2-OE1 3.2Å; V402-N409 HydrophobicContact CG1-CB 4.12Å; V402-N409 PolarHBondContact N-O 2.73Å; V402-N409 PolarHBondContact O-N 3.2Å; V402-L411 HydrophobicContact CG1-CD2 3.94Å; V402-L411 HydrophobicContact CG1-CG 4.48Å
403	Y	83.6	Confident	88.8	Confident	82 Å²	82	48.3 Å²	48.3	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	96	171.8	-67.5	-96.1	0	0	0	108.1	H357 I384 R401 G407 R408	H357-Y403 HydrophobicContact CB-CD1 4.41Å; H357-Y403 HydrophobicContact CB-CD2 3.33Å; H357-Y403 HydrophobicContact CB-CE1 4.46Å; H357-Y403 HydrophobicContact CB-CE2 3.42Å; H357-Y403 VanDerWaalsContact CB-CE2 3.42Å; H357-Y403 HydrophobicContact CB-CG 3.86Å; H357-Y403 AromaticContact CD2-CZ 3.86Å; H357-Y403 AromaticContact CG-CE2 3.91Å; H357-Y403 WeakPolarHBondContact O-CD2 3.47Å; I384-Y403 HydrophobicContact CD1-CD2 3.77Å; I384-Y403 HydrophobicContact CD1-CE2 3.83Å; R401-Y403 PolarHBondContact NE-OH 2.74Å; Y403-G407 WeakPolarHBondContact CA-O 2.96Å; Y403-R408 HydrophobicContact CD1-CB 4.2Å; Y403-R408 HydrophobicContact CE1-CB 3.86Å; Y403-R408 HydrophobicContact CE1-CG 4.16Å
404	E	78.1	Confident	89.2	Confident	91 Å²	91	45.7 Å²	45.7	43%	0.425	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.8	-177.6	-86.9	170.7	-162.6	0	0	108.8	R381 V402 D406 G407 N409	R381-E404 IonicContact CZ-OE2 2.84Å; R381-E404 IonicContact NH2-OE1 3.71Å; R381-E404 IonicContact NH2-OE2 3.78Å; R381-E404 PolarHBondContact NH2-OE2 3.38Å; V402-E404 HydrophobicContact CG1-CB 4.4Å; V402-E404 HydrophobicContact CG1-CG 4.4Å; V402-E404 HydrophobicContact CG2-CG 3.79Å; V402-E404 WeakPolarHBondContact CG2-OE1 3.2Å; E404-D406 PolarHBondContact O-N 2.81Å; E404-G407 PolarHBondContact N-O 3.37Å; E404-N409 PolarHBondContact O-ND2 2.99Å
405	G	75.4	Confident	89.4	Confident	82 Å²	82	42.5 Å²	42.5	85%	0.845	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	-122.2	178.6	0	0	0	0	0	113.1	G407	G405-G407 PolarHBondContact O-N 2.69Å; G405-G407 VanDerWaalsContact O-N 3.1Å
406	D	66.6	Low	89.4	Confident	183 Å²	183	42.3 Å²	42.3	98%	0.979	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	4.3	-172	-59	-26.6	0	0	0	114.7	E404	E404-D406 PolarHBondContact O-N 2.81Å
407	G	78.7	Confident	89.4	Confident	27 Å²	27	42 Å²	42	28%	0.278	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139	-134.4	169.3	0	0	0	0	0	114.2	Y403 E404 G405	Y403-G407 WeakPolarHBondContact CA-O 2.96Å; E404-G407 PolarHBondContact N-O 3.37Å; G405-G407 PolarHBondContact O-N 2.69Å; G405-G407 VanDerWaalsContact O-N 3.1Å
408	R	85.1	Confident	89.1	Confident	108 Å²	108	43.2 Å²	43.2	41%	0.408	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.9	-171.4	-179.4	-172.9	176.1	164.6	10.3	110.8	R401 Y403 E435	R401-R408 VanDerWaalsContact CD-NH2 3.29Å; Y403-R408 HydrophobicContact CD1-CB 4.2Å; Y403-R408 HydrophobicContact CE1-CB 3.86Å; Y403-R408 HydrophobicContact CE1-CG 4.16Å; R408-E435 IonicContact CZ-OE1 3.18Å; R408-E435 IonicContact CZ-OE2 2.85Å; R408-E435 IonicContact NE-OE1 2.82Å; R408-E435 PolarHBondContact NE-OE1 2.89Å; R408-E435 IonicContact NE-OE2 3.67Å; R408-E435 PolarHBondContact NE-OE2 3.17Å; R408-E435 IonicContact NH1-OE1 2.71Å; R408-E435 IonicContact NH2-OE1 3.03Å; R408-E435 PolarHBondContact NH2-OE1 3.23Å; R408-E435 IonicContact NH2-OE2 2.69Å; R408-E435 PolarHBondContact NH2-OE2 2.89Å
409	N	88.7	Confident	88.7	Confident	75 Å²	75	45.9 Å²	45.9	40%	0.401	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	-178.5	-64.8	-48.2	0	0	0	111.6	R401 V402 E404	R401-N409 CarbonylContact C-O 3.53Å; R401-N409 WeakPolarHBondContact CA-O 3.42Å; V402-N409 HydrophobicContact CG1-CB 4.12Å; V402-N409 PolarHBondContact N-O 2.73Å; V402-N409 PolarHBondContact O-N 3.2Å; E404-N409 PolarHBondContact O-ND2 2.99Å
410	A	92	Very high	88.1	Confident	39 Å²	39	51.3 Å²	51.3	32%	0.322	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.9	170.4	0	0	0	0	0	110.7	A433 E435	A410-A433 HydrophobicContact CB-CB 4.07Å; A410-E435 HydrophobicContact CB-CB 4.26Å; A410-E435 HydrophobicContact CB-CG 4.19Å
411	L	92.8	Very high	87.7	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.063	30%	0.303	C	S	.	.			trans	-107.5	139.8	-177.6	-60.9	176.3	0	0	0	111.4	R381 R383 G399 G400 V402 M430 M434	R381-L411 VanDerWaalsContact NE-CD2 3.26Å; R383-L411 HydrophobicContact CB-CD1 4.33Å; R383-L411 HydrophobicContact CG-CD1 3.68Å; G399-L411 WeakPolarHBondContact CA-O 3.24Å; G400-L411 PolarHBondContact O-N 3.41Å; V402-L411 HydrophobicContact CG1-CD2 3.94Å; V402-L411 HydrophobicContact CG1-CG 4.48Å; L411-M430 WeakPolarHBondContact O-CE 3.06Å; L411-M434 PolarHBondContact O-N 2.96Å
412	K	94.8	Very high	87.7	Confident	116 Å²	116	56.9 Å²	56.9	50%	0.504	32%	0.315	S	S	.	.			trans	-99	-12.2	167.6	66.5	174.9	-179.1	177.9	0	113.3	P429 M430 A433	K412-P429 HydrophobicContact CB-CB 4.46Å; K412-P429 HydrophobicContact CD-CB 4.23Å; K412-P429 HydrophobicContact CG-CB 4.05Å; K412-P429 CarbonylContact O-C 3.15Å; K412-P429 WeakPolarHBondContact O-CA 3.42Å; K412-P429 WeakPolarHBondContact O-CB 3.4Å; K412-M430 HydrophobicContact CB-CB 4.46Å; K412-M430 PolarHBondContact O-N 2.71Å; K412-A433 HydrophobicContact CB-CB 4.16Å
413	S	95.4	Very high	87.8	Confident	32 Å²	32	58.8 Å²	58.8	22%	0.224	33%	0.328	C	S	.	.			trans	-65.4	142.8	-174.8	50.9	0	0	0	0	111	R383 G399	R383-S413 VanDerWaalsContact CZ-OG 3.25Å; R383-S413 PolarHBondContact NH1-O 2.93Å; R383-S413 PolarHBondContact NH1-OG 3Å; R383-S413 VanDerWaalsContact NH1-OG 3.16Å; R383-S413 VanDerWaalsContact NH2-CB 3.3Å; R383-S413 PolarHBondContact NH2-O 3.19Å; R383-S413 PolarHBondContact NH2-OG 3.43Å; G399-S413 PolarHBondContact N-O 3.46Å
414	V	96.9	Very high	88.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.8	176	-176.3	0	0	0	0	107.7	Y396 A397 L398 V427 M430 W464	Y396-V414 HydrophobicContact CD1-CG1 4.39Å; A397-V414 WeakPolarHBondContact O-CA 3.41Å; L398-V414 HydrophobicContact CD2-CB 4.25Å; L398-V414 HydrophobicContact CD2-CG1 3.48Å; L398-V414 VanDerWaalsContact CD2-CG1 3.48Å; L398-V414 HydrophobicContact CD2-CG2 3.75Å; L398-V414 HydrophobicContact CG-CG1 4.36Å; V414-V427 HydrophobicContact CB-CG2 3.72Å; V414-V427 HydrophobicContact CG1-CG2 3.47Å; V414-V427 VanDerWaalsContact CG1-CG2 3.47Å; V414-V427 PolarHBondContact O-N 3.27Å; V414-V427 VanDerWaalsContact O-N 3.09Å; V414-M430 HydrophobicContact CG2-CG 3.75Å; V414-W464 HydrophobicContact CG2-CZ2 4.01Å
415	E	96.8	Very high	89.4	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.023	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.8	179.2	-63.6	170.5	-138.1	0	0	109.2	L379 L380 R381 R383 Y396 A397 W424 T425	L379-E415 WeakPolarHBondContact CA-OE2 3.23Å; L380-E415 HydrophobicContact CB-CG 4.39Å; L380-E415 WeakPolarHBondContact CB-OE2 3.33Å; L380-E415 HydrophobicContact CD1-CG 4.32Å; L380-E415 PolarHBondContact N-OE2 2.93Å; R381-E415 PolarHBondContact N-OE1 2.96Å; R381-E415 VanDerWaalsContact N-OE1 3.07Å; R383-E415 IonicContact CZ-OE1 3.68Å; R383-E415 IonicContact NE-OE1 2.74Å; R383-E415 PolarHBondContact NE-OE1 2.65Å; R383-E415 IonicContact NH2-OE1 3.7Å; R383-E415 PolarHBondContact NH2-OE1 3.45Å; Y396-E415 CarbonylContact C-O 3.27Å; Y396-E415 VanDerWaalsContact CA-O 3.26Å; Y396-E415 WeakPolarHBondContact CA-O 3.27Å; A397-E415 HydrophobicContact CB-CB 4.48Å; A397-E415 PolarHBondContact N-O 3.34Å; A397-E415 PolarHBondContact O-N 3.3Å; A397-E415 VanDerWaalsContact O-N 3.09Å; E415-W424 HydrophobicContact CB-CD2 4.47Å; E415-W424 HydrophobicContact CB-CE3 3.58Å; E415-W424 HydrophobicContact CB-CZ3 4.15Å; E415-T425 CarbonylContact C-O 3.6Å; E415-T425 VanDerWaalsContact CA-O 3.31Å; E415-T425 WeakPolarHBondContact CA-O 3.49Å
416	C	96.8	Very high	90.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.1	177.3	177	0	0	0	0	109.2	K394 L395 Y396 W424 T425 V427	K394-C416 WeakPolarHBondContact CD-SG 3.14Å; L395-C416 CarbonylContact O-C 3.56Å; L395-C416 WeakPolarHBondContact O-CA 3.34Å; Y396-C416 HydrophobicContact CD1-CB 3.98Å; Y396-C416 HydrophobicContact CE1-CB 3.67Å; C416-W424 CarbonylContact O-C 3.55Å; C416-W424 WeakPolarHBondContact O-CA 3.5Å; C416-T425 PolarHBondContact N-O 2.81Å; C416-T425 PolarHBondContact O-N 3.35Å; C416-T425 PolarHBondContact O-OG1 2.91Å; C416-T425 VanDerWaalsContact O-OG1 3.12Å; C416-V427 HydrophobicContact CB-CG1 3.62Å
417	Y	96.4	Very high	91.8	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.9	175.6	-180	-105.7	0	0	0	110.6	F363 K394 L395 A419 N422 C423 W424	F363-Y417 HydrophobicContact CD1-CD2 4.26Å; F363-Y417 HydrophobicContact CD1-CE2 4.05Å; F363-Y417 AromaticContact CE1-CD1 3.94Å; F363-Y417 HydrophobicContact CE1-CD1 3.94Å; F363-Y417 AromaticContact CE1-CD2 3.87Å; F363-Y417 HydrophobicContact CE1-CD2 3.87Å; F363-Y417 AromaticContact CE1-CE1 3.78Å; F363-Y417 HydrophobicContact CE1-CE1 3.78Å; F363-Y417 AromaticContact CE1-CE2 3.71Å; F363-Y417 HydrophobicContact CE1-CE2 3.71Å; F363-Y417 AromaticContact CE1-CG 3.97Å; F363-Y417 HydrophobicContact CE1-CG 3.97Å; F363-Y417 AromaticContact CE1-CZ 3.67Å; F363-Y417 HydrophobicContact CZ-CD1 4.3Å; F363-Y417 HydrophobicContact CZ-CE1 4.39Å; F363-Y417 HydrophobicContact CZ-CG 4.48Å; K394-Y417 WeakPolarHBondContact CB-O 3.41Å; L395-Y417 HydrophobicContact CB-CD1 4.46Å; L395-Y417 HydrophobicContact CD1-CD1 3.71Å; L395-Y417 HydrophobicContact CD1-CE1 4.29Å; L395-Y417 HydrophobicContact CG-CD1 4.11Å; L395-Y417 PolarHBondContact N-O 3.19Å; L395-Y417 PolarHBondContact O-N 2.99Å; Y417-A419 HydrophobicContact CE1-CB 3.96Å; Y417-N422 PolarHBondContact OH-OD1 3.01Å; Y417-C423 WeakPolarHBondContact CA-O 3.35Å; Y417-C423 WeakPolarHBondContact CD2-O 3.42Å; Y417-W424 AromaticContact CD2-CD1 3.78Å; Y417-W424 AromaticContact CD2-CD2 3.97Å; Y417-W424 HydrophobicContact CD2-CD2 3.97Å; Y417-W424 AromaticContact CD2-CE2 3.63Å; Y417-W424 HydrophobicContact CD2-CG 4.08Å; Y417-W424 HydrophobicContact CD2-CZ2 4.15Å; Y417-W424 AromaticContact CD2-NE1 3.49Å; Y417-W424 HydrophobicContact CG-CD2 4.27Å; Y417-W424 AromaticContact CG-CE2 3.96Å; Y417-W424 HydrophobicContact CG-CH2 4.45Å; Y417-W424 HydrophobicContact CG-CZ2 4.07Å
418	D	91.1	Very high	92.7	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119	168.1	-159.2	-48.5	0	0	0	109.6	K394 R420 D421 N422 C423	K394-D418 WeakPolarHBondContact CE-OD2 3.28Å; K394-D418 IonicContact NZ-OD2 3.28Å; K394-D418 PolarHBondContact NZ-OD2 2.78Å; D418-R420 VanDerWaalsContact C-N 3.27Å; D418-R420 PolarHBondContact O-N 3.27Å; D418-R420 WeakPolarHBondContact OD1-CB 3.41Å; D418-R420 PolarHBondContact OD1-N 3.49Å; D418-D421 HydrophobicContact CB-CB 4.25Å; D418-N422 WeakPolarHBondContact O-CA 3.44Å; D418-N422 PolarHBondContact O-N 2.68Å; D418-C423 PolarHBondContact N-O 3.29Å; D418-C423 PolarHBondContact O-N 2.93Å
419	A	86.9	Confident	93.2	Very high	57 Å²	57	45.1 Å²	45.1	47%	0.471	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.8	-178.8	0	0	0	0	0	112.9	Y417	Y417-A419 HydrophobicContact CE1-CB 3.96Å
420	R	81.6	Confident	93.5	Very high	114 Å²	114	41.6 Å²	41.6	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-45.6	178.8	-65.8	175.8	169.5	-169.7	-10.2	110.8	R145 D147 D418 N422	R145-R420 WeakPolarHBondContact CD-O 3.42Å; R145-R420 PolarHBondContact NE-O 2.75Å; D147-R420 IonicContact OD1-CZ 3.28Å; D147-R420 IonicContact OD1-NE 2.77Å; D147-R420 IonicContact OD1-NH2 3.55Å; D147-R420 PolarHBondContact OD1-NH2 3.29Å; D147-R420 WeakPolarHBondContact OD2-CG 3.41Å; D147-R420 IonicContact OD2-CZ 2.69Å; D147-R420 IonicContact OD2-NE 3.41Å; D147-R420 PolarHBondContact OD2-NE 3.35Å; D147-R420 IonicContact OD2-NH2 2.96Å; D147-R420 PolarHBondContact OD2-NH2 3.27Å; D418-R420 VanDerWaalsContact C-N 3.27Å; D418-R420 PolarHBondContact O-N 3.27Å; D418-R420 WeakPolarHBondContact OD1-CB 3.41Å; D418-R420 PolarHBondContact OD1-N 3.49Å; R420-N422 VanDerWaalsContact C-N 3.31Å
421	D	83.7	Confident	93.6	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.2	179	-70.2	-46.4	0	0	0	113.5	R145 D418 C423	R145-D421 IonicContact CZ-OD1 3.28Å; R145-D421 VanDerWaalsContact CZ-OD1 3.27Å; R145-D421 IonicContact NH1-OD1 3.26Å; R145-D421 PolarHBondContact NH1-OD1 3.3Å; R145-D421 IonicContact NH2-OD1 3.92Å; R145-D421 PolarHBondContact NH2-OD1 3.47Å; D418-D421 HydrophobicContact CB-CB 4.25Å; D421-C423 HydrophobicContact CB-CB 4.34Å; D421-C423 WeakPolarHBondContact CB-SG 3.35Å; D421-C423 PolarHBondContact O-N 3.33Å
422	N	90.1	Very high	93.6	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	53.2	-170.3	179.7	41.8	0	0	0	109.8	A377 Y417 D418 R420	A377-N422 WeakPolarHBondContact CB-O 3.45Å; A377-N422 PolarHBondContact N-OD1 2.89Å; Y417-N422 PolarHBondContact OH-OD1 3.01Å; D418-N422 WeakPolarHBondContact O-CA 3.44Å; D418-N422 PolarHBondContact O-N 2.68Å; R420-N422 VanDerWaalsContact C-N 3.31Å
423	C	93.3	Very high	93.5	Very high	45 Å²	45	42 Å²	42	30%	0.304	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.6	-178.7	77.8	0	0	0	0	111.3	Y417 D418 D421	Y417-C423 WeakPolarHBondContact CA-O 3.35Å; Y417-C423 WeakPolarHBondContact CD2-O 3.42Å; D418-C423 PolarHBondContact N-O 3.29Å; D418-C423 PolarHBondContact O-N 2.93Å; D421-C423 HydrophobicContact CB-CB 4.34Å; D421-C423 WeakPolarHBondContact CB-SG 3.35Å; D421-C423 PolarHBondContact O-N 3.33Å
424	W	97.1	Very high	93.2	Very high	14 Å²	14	40.7 Å²	40.7	5%	0.053	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.7	172.7	-69.7	90.5	0	0	0	109.8	F363 A377 L379 L380 L388 A397 E415 C416 Y417	F363-W424 AromaticContact CD1-CE2 3.99Å; F363-W424 AromaticContact CD1-CZ2 3.82Å; F363-W424 HydrophobicContact CD1-CZ2 3.82Å; F363-W424 AromaticContact CD1-NE1 3.57Å; F363-W424 AromaticContact CD2-CZ2 3.8Å; F363-W424 HydrophobicContact CD2-CZ2 3.8Å; F363-W424 AromaticContact CE1-CZ2 3.85Å; F363-W424 HydrophobicContact CE1-CZ2 3.85Å; F363-W424 HydrophobicContact CE2-CH2 4.46Å; F363-W424 AromaticContact CE2-CZ2 3.79Å; F363-W424 HydrophobicContact CE2-CZ2 3.79Å; F363-W424 AromaticContact CG-CZ2 3.84Å; F363-W424 HydrophobicContact CG-CZ2 3.84Å; F363-W424 AromaticContact CG-NE1 3.91Å; F363-W424 AromaticContact CZ-CZ2 3.83Å; F363-W424 HydrophobicContact CZ-CZ2 3.83Å; A377-W424 VanDerWaalsContact O-CD1 3.24Å; A377-W424 PolarHBondContact O-NE1 2.85Å; L379-W424 HydrophobicContact CD2-CD2 3.88Å; L379-W424 HydrophobicContact CD2-CE3 4.03Å; L379-W424 HydrophobicContact CD2-CH2 3.79Å; L379-W424 HydrophobicContact CD2-CZ2 3.61Å; L379-W424 HydrophobicContact CD2-CZ3 3.99Å; L379-W424 HydrophobicContact CG-CZ2 4.47Å; L380-W424 HydrophobicContact CD1-CB 4.45Å; L380-W424 HydrophobicContact CD2-CB 4.33Å; L380-W424 HydrophobicContact CG-CB 3.87Å; L388-W424 HydrophobicContact CD2-CH2 4.22Å; A397-W424 HydrophobicContact CB-CE3 4.5Å; A397-W424 HydrophobicContact CB-CH2 3.85Å; A397-W424 HydrophobicContact CB-CZ3 3.62Å; E415-W424 HydrophobicContact CB-CD2 4.47Å; E415-W424 HydrophobicContact CB-CE3 3.58Å; E415-W424 HydrophobicContact CB-CZ3 4.15Å; C416-W424 CarbonylContact O-C 3.55Å; C416-W424 WeakPolarHBondContact O-CA 3.5Å; Y417-W424 AromaticContact CD2-CD1 3.78Å; Y417-W424 AromaticContact CD2-CD2 3.97Å; Y417-W424 HydrophobicContact CD2-CD2 3.97Å; Y417-W424 AromaticContact CD2-CE2 3.63Å; Y417-W424 HydrophobicContact CD2-CG 4.08Å; Y417-W424 HydrophobicContact CD2-CZ2 4.15Å; Y417-W424 AromaticContact CD2-NE1 3.49Å; Y417-W424 HydrophobicContact CG-CD2 4.27Å; Y417-W424 AromaticContact CG-CE2 3.96Å; Y417-W424 HydrophobicContact CG-CH2 4.45Å; Y417-W424 HydrophobicContact CG-CZ2 4.07Å
425	T	96.6	Very high	92.7	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.5	175.6	54.5	0	0	0	0	109.1	E415 C416	E415-T425 CarbonylContact C-O 3.6Å; E415-T425 VanDerWaalsContact CA-O 3.31Å; E415-T425 WeakPolarHBondContact CA-O 3.49Å; C416-T425 PolarHBondContact N-O 2.81Å; C416-T425 PolarHBondContact O-N 3.35Å; C416-T425 PolarHBondContact O-OG1 2.91Å; C416-T425 VanDerWaalsContact O-OG1 3.12Å
426	A	97.1	Very high	92	Very high	79 Å²	79	45.6 Å²	45.6	65%	0.653	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.7	174.6	0	0	0	0	0	109.2	L380	L380-A426 HydrophobicContact CD1-CB 4.1Å
427	V	97	Very high	91.7	Very high	29 Å²	29	45.5 Å²	45.5	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	178.6	174.5	-59.4	0	0	0	0	109.8	V414 C416 Y457	V414-V427 HydrophobicContact CB-CG2 3.72Å; V414-V427 HydrophobicContact CG1-CG2 3.47Å; V414-V427 VanDerWaalsContact CG1-CG2 3.47Å; V414-V427 PolarHBondContact O-N 3.27Å; V414-V427 VanDerWaalsContact O-N 3.09Å; C416-V427 HydrophobicContact CB-CG1 3.62Å; V427-Y457 WeakPolarHBondContact CB-OH 3.46Å
428	S	96.4	Very high	91.5	Very high	35 Å²	35	45.8 Å²	45.8	25%	0.245	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.7	124.6	-177.2	-79.3	0	0	0	0	111.5	D462 W464	S428-D462 WeakPolarHBondContact CA-OD1 3.21Å; S428-D462 WeakPolarHBondContact CB-O 3.23Å; S428-D462 WeakPolarHBondContact CB-OD1 2.85Å; S428-D462 PolarHBondContact N-OD1 3.05Å; S428-D462 PolarHBondContact N-OD2 3.4Å; S428-D462 PolarHBondContact OG-O 2.79Å; S428-D462 PolarHBondContact OG-OD1 2.85Å; S428-D462 PolarHBondContact OG-OD2 2.69Å; S428-W464 PolarHBondContact O-NE1 3.04Å
429	P	96.6	Very high	91.6	Very high	63 Å²	63	45.5 Å²	45.5	41%	0.409	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-69.5	153.5	-177	29.5	-35.1	0	0	0	110.9	K412 W464	K412-P429 HydrophobicContact CB-CB 4.46Å; K412-P429 HydrophobicContact CD-CB 4.23Å; K412-P429 HydrophobicContact CG-CB 4.05Å; K412-P429 CarbonylContact O-C 3.15Å; K412-P429 WeakPolarHBondContact O-CA 3.42Å; K412-P429 WeakPolarHBondContact O-CB 3.4Å; P429-W464 VanDerWaalsContact O-CD1 3.3Å; P429-W464 PolarHBondContact O-NE1 3.4Å
430	M	95.2	Very high	92	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-56.2	146.3	172	-65.9	-178.2	-62.1	0	0	110.5	G399 L411 K412 V414 V432 M434 V448 W464	G399-M430 VanDerWaalsContact CA-CE 3.48Å; L411-M430 WeakPolarHBondContact O-CE 3.06Å; K412-M430 HydrophobicContact CB-CB 4.46Å; K412-M430 PolarHBondContact O-N 2.71Å; V414-M430 HydrophobicContact CG2-CG 3.75Å; M430-V432 WeakPolarHBondContact CB-O 3.36Å; M430-V432 PolarHBondContact O-N 3.03Å; M430-V432 VanDerWaalsContact O-N 3.15Å; M430-M434 HydrophobicContact CE-CB 3.87Å; M430-M434 HydrophobicContact CE-CG 4.47Å; M430-M434 HydrophobicContact SD-CB 4.38Å; M430-M434 HydrophobicContact SD-SD 4.34Å; M430-V448 HydrophobicContact SD-CG1 4.18Å; M430-W464 HydrophobicContact CG-CH2 3.74Å; M430-W464 HydrophobicContact CG-CZ2 3.62Å; M430-W464 HydrophobicContact CG-CZ3 4.41Å
431	P	94	Very high	92.6	Very high	61 Å²	61	40.9 Å²	40.9	40%	0.396	25%	0.251	S	S	.	.	S	Bend	trans	-59.2	-29	178.6	-27.6	37.2	0	0	0	113.4	F455 W464	P431-F455 HydrophobicContact CB-CE1 3.81Å; P431-F455 HydrophobicContact CB-CE2 4.44Å; P431-F455 HydrophobicContact CB-CZ 3.76Å; P431-F455 HydrophobicContact CG-CD1 3.91Å; P431-F455 HydrophobicContact CG-CE1 3.58Å; P431-F455 HydrophobicContact CG-CG 4.5Å; P431-F455 HydrophobicContact CG-CZ 3.95Å; P431-W464 HydrophobicContact CG-CB 3.85Å; P431-W464 HydrophobicContact CG-CG 4.22Å
432	V	92.4	Very high	93	Very high	69 Å²	69	38 Å²	38	42%	0.418	23%	0.234	S	C	.	.	S	Bend	trans	-130.7	145.1	179.3	-176.2	0	0	0	0	109.6	M430 M434 F455	M430-V432 WeakPolarHBondContact CB-O 3.36Å; M430-V432 PolarHBondContact O-N 3.03Å; M430-V432 VanDerWaalsContact O-N 3.15Å; V432-M434 HydrophobicContact CB-CE 4.32Å; V432-F455 HydrophobicContact CG2-CE2 4.44Å; V432-F455 HydrophobicContact CG2-CZ 4.27Å
433	A	91.4	Very high	93	Very high	46 Å²	46	41.4 Å²	41.4	38%	0.38	25%	0.247	S	C	.	.			trans	-70.8	129.9	173.5	0	0	0	0	0	110.7	A410 K412	A410-A433 HydrophobicContact CB-CB 4.07Å; K412-A433 HydrophobicContact CB-CB 4.16Å
434	M	89.4	Confident	93	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	25%	0.247	C	C	.	.			trans	-133.6	128.6	-168.7	-73.6	-168.1	-178.3	0	0	112.9	G400 L411 M430 V432 H437 V448 Q450 C453 F455	G400-M434 PolarHBondContact N-O 2.83Å; G400-M434 VanDerWaalsContact N-O 3.15Å; L411-M434 PolarHBondContact O-N 2.96Å; M430-M434 HydrophobicContact CE-CB 3.87Å; M430-M434 HydrophobicContact CE-CG 4.47Å; M430-M434 HydrophobicContact SD-CB 4.38Å; M430-M434 HydrophobicContact SD-SD 4.34Å; V432-M434 HydrophobicContact CB-CE 4.32Å; M434-H437 HydrophobicContact CB-CB 4.11Å; M434-H437 PolarHBondContact O-ND1 3.35Å; M434-H437 HydrophobicContact SD-CB 4.08Å; M434-V448 HydrophobicContact SD-CG1 3.76Å; M434-Q450 HydrophobicContact CE-CB 4.38Å; M434-Q450 HydrophobicContact SD-CB 3.93Å; M434-C453 HydrophobicContact CE-CB 3.48Å; M434-C453 VanDerWaalsContact CE-CB 3.48Å; M434-F455 HydrophobicContact CE-CD2 3.53Å; M434-F455 HydrophobicContact CE-CE2 3.32Å
435	E	86.8	Confident	92.9	Very high	41 Å²	41	44.2 Å²	44.2	19%	0.192	26%	0.258	C	S	.	.	S	Bend	trans	-122.9	147.4	167.3	60.7	166.3	-153.2	0	0	109.9	R401 R408 A410 H437 Q450	R401-E435 HydrophobicContact CB-CB 4.44Å; R401-E435 VanDerWaalsContact CD-OE2 3.31Å; R401-E435 WeakPolarHBondContact CD-OE2 3.39Å; R408-E435 IonicContact CZ-OE1 3.18Å; R408-E435 IonicContact CZ-OE2 2.85Å; R408-E435 IonicContact NE-OE1 2.82Å; R408-E435 PolarHBondContact NE-OE1 2.89Å; R408-E435 IonicContact NE-OE2 3.67Å; R408-E435 PolarHBondContact NE-OE2 3.17Å; R408-E435 IonicContact NH1-OE1 2.71Å; R408-E435 IonicContact NH2-OE1 3.03Å; R408-E435 PolarHBondContact NH2-OE1 3.23Å; R408-E435 IonicContact NH2-OE2 2.69Å; R408-E435 PolarHBondContact NH2-OE2 2.89Å; A410-E435 HydrophobicContact CB-CB 4.26Å; A410-E435 HydrophobicContact CB-CG 4.19Å; E435-H437 PolarHBondContact O-N 2.98Å; E435-Q450 PolarHBondContact O-NE2 2.88Å; E435-Q450 PolarHBondContact O-OE1 3.41Å
436	F	83.3	Confident	92.9	Very high	69 Å²	69	41.1 Å²	41.1	30%	0.303	24%	0.239	S	C	.	.	S	Bend	trans	59.7	23.6	-174.8	-46	-61.8	0	0	0	115.3	Q476	F436-Q476 HydrophobicContact CB-CG 3.63Å; F436-Q476 HydrophobicContact CD1-CG 4.24Å; F436-Q476 HydrophobicContact CD2-CG 4.36Å; F436-Q476 HydrophobicContact CG-CG 3.88Å; F436-Q476 PolarHBondContact O-N 2.79Å
437	H	89.8	Confident	92.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	21%	0.21	C	C	.	.			trans	-73.8	163	168.8	62.5	-84.2	0	0	0	110.5	K387 L398 M434 E435 V448 Q450	K387-H437 WeakPolarHBondContact CE-O 3.44Å; K387-H437 WeakPolarHBondContact CG-NE2 3.42Å; K387-H437 WeakPolarHBondContact CG-O 3.26Å; L398-H437 PolarHBondContact O-CE1 3.39Å; L398-H437 VanDerWaalsContact O-CE1 3.22Å; L398-H437 PolarHBondContact O-NE2 3.07Å; M434-H437 HydrophobicContact CB-CB 4.11Å; M434-H437 PolarHBondContact O-ND1 3.35Å; M434-H437 HydrophobicContact SD-CB 4.08Å; E435-H437 PolarHBondContact O-N 2.98Å; H437-V448 HydrophobicContact CB-CG1 4.1Å; H437-Q450 HydrophobicContact CB-CB 3.86Å
438	S	91.8	Very high	92.6	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.4	169	-33.8	0	0	0	0	108.1	V448 L449 G477 A479	S438-V448 WeakPolarHBondContact O-CA 3.35Å; S438-L449 PolarHBondContact N-O 3.46Å; S438-L449 PolarHBondContact O-N 2.92Å; S438-G477 PolarHBondContact OG-O 3.32Å; S438-A479 VanDerWaalsContact CB-CB 3.42Å
439	A	94.1	Very high	92.4	Very high	21 Å²	21	34.9 Å²	34.9	17%	0.174	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.9	177.7	0	0	0	0	0	109.7	K387 V389 L398 Y447 V448	K387-A439 HydrophobicContact CB-CB 4.05Å; V389-A439 HydrophobicContact CG2-CB 3.53Å; L398-A439 HydrophobicContact CD1-CB 3.58Å; A439-Y447 CarbonylContact C-O 3.51Å; A439-Y447 WeakPolarHBondContact CA-O 3.31Å; A439-V448 HydrophobicContact CB-CG2 4.13Å
440	V	94.3	Very high	92.1	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.1	178.3	-63	0	0	0	0	109.7	Y447 A479 I486	V440-Y447 PolarHBondContact N-O 3.01Å; V440-Y447 PolarHBondContact O-N 2.53Å; V440-A479 HydrophobicContact CG1-CB 3.64Å; V440-I486 HydrophobicContact CG2-CD1 3.7Å; V440-I486 HydrophobicContact CG2-CG1 3.94Å; V440-I486 HydrophobicContact CG2-CG2 4Å
441	E	94.4	Very high	91.6	Very high	61 Å²	61	34.4 Å²	34.4	29%	0.285	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.3	170.5	-179.9	-86.1	147.8	0	0	109.9	V389 H390 C391 K443 D444 Q445	V389-E441 HydrophobicContact CG1-CB 3.75Å; H390-E441 VanDerWaalsContact O-CB 3.31Å; H390-E441 WeakPolarHBondContact O-CB 3.49Å; H390-E441 VanDerWaalsContact O-CG 3.31Å; H390-E441 WeakPolarHBondContact O-CG 3.43Å; C391-E441 HydrophobicContact CB-CG 3.97Å; E441-K443 PolarHBondContact OE1-N 3.11Å; E441-D444 PolarHBondContact OE1-N 2.96Å; E441-Q445 WeakPolarHBondContact CA-O 3.39Å
442	Y	92.3	Very high	91.1	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.047	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	129.9	167.7	177.5	-107.6	0	0	0	110.7	D444 Q445 Y447 L481 N484 M507	Y442-D444 VanDerWaalsContact C-N 3.34Å; Y442-D444 PolarHBondContact O-N 3.29Å; Y442-Q445 PolarHBondContact N-O 3.47Å; Y442-Q445 PolarHBondContact O-N 2.79Å; Y442-Q445 VanDerWaalsContact O-N 3.08Å; Y442-Y447 HydrophobicContact CD1-CE2 4.46Å; Y442-L481 HydrophobicContact CD2-CD1 3.55Å; Y442-L481 HydrophobicContact CD2-CD2 3.81Å; Y442-L481 HydrophobicContact CD2-CG 4.31Å; Y442-L481 HydrophobicContact CE2-CD1 4.28Å; Y442-L481 HydrophobicContact CG-CD1 4.04Å; Y442-N484 HydrophobicContact CE2-CB 3.97Å; Y442-M507 HydrophobicContact CD1-CB 4.37Å; Y442-M507 HydrophobicContact CD1-CG 3.75Å; Y442-M507 HydrophobicContact CD1-SD 4.48Å; Y442-M507 HydrophobicContact CE1-CB 3.89Å; Y442-M507 HydrophobicContact CE1-CG 3.68Å
443	K	89.9	Confident	91	Very high	131 Å²	131	35.9 Å²	35.9	57%	0.57	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	53.6	177.9	-73.1	-177.5	175	159.4	0	112	E441 Q445	E441-K443 PolarHBondContact OE1-N 3.11Å; K443-Q445 PolarHBondContact O-N 3.4Å
444	D	92.7	Very high	91	Very high	60 Å²	60	34 Å²	34	32%	0.321	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	20	176.9	-69.3	-42.9	0	0	0	114.5	C391 C392 E441 Y442 P459 R460	C391-D444 PolarHBondContact SG-O 2.94Å; C391-D444 VanDerWaalsContact SG-O 3.38Å; C392-D444 WeakPolarHBondContact SG-CB 3.33Å; C392-D444 PolarHBondContact SG-OD1 2.77Å; C392-D444 VanDerWaalsContact SG-OD1 3.36Å; E441-D444 PolarHBondContact OE1-N 2.96Å; Y442-D444 VanDerWaalsContact C-N 3.34Å; Y442-D444 PolarHBondContact O-N 3.29Å; D444-P459 VanDerWaalsContact O-CD 3.26Å; D444-P459 WeakPolarHBondContact O-CD 3.49Å; D444-R460 IonicContact OD2-CZ 3.18Å; D444-R460 IonicContact OD2-NH2 3.05Å; D444-R460 PolarHBondContact OD2-NH2 3.34Å
445	Q	94.5	Very high	91.2	Very high	57 Å²	57	34 Å²	34	27%	0.266	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.8	177.9	-66.6	-177.6	-17.1	0	0	111.4	E441 Y442 K443 Y447 C456	E441-Q445 WeakPolarHBondContact CA-O 3.39Å; Y442-Q445 PolarHBondContact N-O 3.47Å; Y442-Q445 PolarHBondContact O-N 2.79Å; Y442-Q445 VanDerWaalsContact O-N 3.08Å; K443-Q445 PolarHBondContact O-N 3.4Å; Q445-Y447 HydrophobicContact CB-CE2 3.76Å; Q445-Y447 PolarHBondContact OE1-OH 3.13Å; Q445-C456 PolarHBondContact OE1-SG 3.18Å; Q445-C456 VanDerWaalsContact OE1-SG 3.4Å
446	I	96.5	Very high	91.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.5	-177.9	-56.6	179.3	0	0	0	109.6	V389 C391 Y396 L398 V448 C456 Y457	V389-I446 HydrophobicContact CB-CD1 4.49Å; V389-I446 HydrophobicContact CG1-CD1 4.25Å; V389-I446 HydrophobicContact CG1-CG1 4.13Å; V389-I446 HydrophobicContact CG1-CG2 4.27Å; V389-I446 HydrophobicContact CG2-CG2 4.44Å; C391-I446 HydrophobicContact CB-CD1 3.79Å; C391-I446 HydrophobicContact CB-CG1 3.68Å; Y396-I446 HydrophobicContact CD1-CD1 3.95Å; Y396-I446 HydrophobicContact CD2-CD1 3.55Å; Y396-I446 HydrophobicContact CE1-CD1 4.48Å; Y396-I446 HydrophobicContact CE2-CD1 4.14Å; Y396-I446 HydrophobicContact CG-CD1 3.46Å; Y396-I446 VanDerWaalsContact CG-CD1 3.46Å; L398-I446 HydrophobicContact CD1-CG2 3.83Å; I446-V448 HydrophobicContact CG2-CG2 4.18Å; I446-C456 CarbonylContact O-C 3.58Å; I446-C456 WeakPolarHBondContact O-CA 3.48Å; I446-Y457 HydrophobicContact CB-CD1 4.36Å; I446-Y457 HydrophobicContact CD1-CD1 4.05Å; I446-Y457 HydrophobicContact CG1-CD1 4.39Å; I446-Y457 PolarHBondContact N-O 2.84Å; I446-Y457 PolarHBondContact O-N 3.29Å
447	Y	94.8	Very high	92.3	Very high	12 Å²	12	29.2 Å²	29.2	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124	-179.7	-65.6	-88	0	0	0	109.7	A439 V440 Y442 Q445 F454 F455 C456 L467 I486 M507	A439-Y447 CarbonylContact C-O 3.51Å; A439-Y447 WeakPolarHBondContact CA-O 3.31Å; V440-Y447 PolarHBondContact N-O 3.01Å; V440-Y447 PolarHBondContact O-N 2.53Å; Y442-Y447 HydrophobicContact CD1-CE2 4.46Å; Q445-Y447 HydrophobicContact CB-CE2 3.76Å; Q445-Y447 PolarHBondContact OE1-OH 3.13Å; Y447-F454 HydrophobicContact CD1-CE2 4.08Å; Y447-F454 HydrophobicContact CD1-CZ 4.02Å; Y447-F455 CarbonylContact C-O 3.52Å; Y447-F455 WeakPolarHBondContact CA-O 3.22Å; Y447-C456 HydrophobicContact CD1-CB 3.97Å; Y447-C456 HydrophobicContact CE1-CB 3.71Å; Y447-L467 HydrophobicContact CD1-CD1 3.6Å; Y447-L467 HydrophobicContact CE1-CD1 3.66Å; Y447-I486 HydrophobicContact CD1-CD1 4.07Å; Y447-I486 HydrophobicContact CD2-CD1 4.05Å; Y447-I486 HydrophobicContact CG-CD1 3.66Å; Y447-M507 HydrophobicContact CD1-CE 4.13Å; Y447-M507 HydrophobicContact CD1-SD 4.46Å; Y447-M507 HydrophobicContact CE1-CE 3.22Å; Y447-M507 HydrophobicContact CE1-SD 4.06Å; Y447-M507 HydrophobicContact CE2-CE 4.21Å; Y447-M507 WeakPolarHBondContact OH-CE 3.46Å
448	V	94.8	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.6	-179.2	-178.7	0	0	0	0	109.6	L398 M430 M434 H437 S438 A439 I446 F455 W464	L398-V448 HydrophobicContact CD1-CG2 4.18Å; L398-V448 HydrophobicContact CD2-CG2 4.45Å; M430-V448 HydrophobicContact SD-CG1 4.18Å; M434-V448 HydrophobicContact SD-CG1 3.76Å; H437-V448 HydrophobicContact CB-CG1 4.1Å; S438-V448 WeakPolarHBondContact O-CA 3.35Å; A439-V448 HydrophobicContact CB-CG2 4.13Å; I446-V448 HydrophobicContact CG2-CG2 4.18Å; V448-F455 PolarHBondContact N-O 2.96Å; V448-F455 PolarHBondContact O-N 3.21Å; V448-W464 HydrophobicContact CB-CZ3 4.23Å; V448-W464 HydrophobicContact CG2-CH2 3.76Å; V448-W464 HydrophobicContact CG2-CZ3 3.87Å
449	L	92.3	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.5	-177.3	-6.8	84.7	0	0	0	111.4	S438 F454 M470 A479 I486 Y488 W512	S438-L449 PolarHBondContact N-O 3.46Å; S438-L449 PolarHBondContact O-N 2.92Å; L449-F454 HydrophobicContact CB-CD2 4Å; L449-F454 HydrophobicContact CB-CE2 4.5Å; L449-F454 HydrophobicContact CD2-CD2 3.62Å; L449-F454 HydrophobicContact CD2-CE2 3.37Å; L449-F454 HydrophobicContact CD2-CG 4.48Å; L449-F454 HydrophobicContact CD2-CZ 4.03Å; L449-F454 HydrophobicContact CG-CD2 3.73Å; L449-F454 HydrophobicContact CG-CE2 3.73Å; L449-M470 HydrophobicContact CB-CE 4.36Å; L449-M470 HydrophobicContact CB-SD 4.09Å; L449-A479 HydrophobicContact CD1-CB 3.44Å; L449-A479 VanDerWaalsContact CD1-CB 3.44Å; L449-I486 HydrophobicContact CD2-CG2 4.17Å; L449-Y488 HydrophobicContact CD1-CD2 4.22Å; L449-Y488 HydrophobicContact CD1-CE2 4.25Å; L449-W512 HydrophobicContact CD2-CH2 3.86Å; L449-W512 HydrophobicContact CD2-CZ2 4.26Å
450	Q	88.8	Confident	92.7	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.164	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	129.8	172.3	-178.8	175.9	4.6	0	0	111.4	M434 E435 H437 E452 C453	M434-Q450 HydrophobicContact CE-CB 4.38Å; M434-Q450 HydrophobicContact SD-CB 3.93Å; E435-Q450 PolarHBondContact O-NE2 2.88Å; E435-Q450 PolarHBondContact O-OE1 3.41Å; H437-Q450 HydrophobicContact CB-CB 3.86Å; Q450-E452 PolarHBondContact O-N 2.84Å; Q450-C453 PolarHBondContact N-O 3.09Å; Q450-C453 WeakPolarHBondContact O-CA 3.27Å; Q450-C453 VanDerWaalsContact O-CB 3.31Å; Q450-C453 WeakPolarHBondContact O-CB 3.17Å; Q450-C453 PolarHBondContact O-N 2.87Å
451	G	85.4	Confident	92.7	Very high	21 Å²	21	45.1 Å²	45.1	22%	0.216	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	64.6	-119.4	173.8	0	0	0	0	0	110.5	M470 P473 R474	G451-M470 WeakPolarHBondContact O-CE 3.34Å; G451-P473 WeakPolarHBondContact O-CA 3.18Å; G451-P473 WeakPolarHBondContact O-CB 3.41Å; G451-R474 WeakPolarHBondContact CA-O 3.14Å; G451-R474 PolarHBondContact N-O 3.2Å; G451-R474 PolarHBondContact O-N 3.3Å
452	E	83.9	Confident	92.7	Very high	123 Å²	123	45.1 Å²	45.1	58%	0.575	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.2	173	-66.6	178.8	175.1	0	0	112.3	Q450 P473	Q450-E452 PolarHBondContact O-N 2.84Å; E452-P473 HydrophobicContact CG-CB 3.51Å; E452-P473 HydrophobicContact CG-CG 3.61Å
453	C	89.2	Confident	92.9	Very high	38 Å²	38	51.5 Å²	51.5	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.9	-174.6	-64.4	0	0	0	0	111	M434 Q450 F455 M470	M434-C453 HydrophobicContact CE-CB 3.48Å; M434-C453 VanDerWaalsContact CE-CB 3.48Å; Q450-C453 PolarHBondContact N-O 3.09Å; Q450-C453 WeakPolarHBondContact O-CA 3.27Å; Q450-C453 VanDerWaalsContact O-CB 3.31Å; Q450-C453 WeakPolarHBondContact O-CB 3.17Å; Q450-C453 PolarHBondContact O-N 2.87Å; C453-F455 HydrophobicContact CB-CD2 4.05Å; C453-F455 HydrophobicContact CB-CE2 3.51Å; C453-F455 HydrophobicContact CB-CZ 4.16Å; C453-M470 WeakPolarHBondContact O-CE 3.4Å
454	F	92.4	Very high	93.2	Very high	5 Å²	5	46 Å²	46	2%	0.022	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.2	168.6	-173.2	-151.5	0	0	0	109.9	Y447 L449 L467 A468 I486 Y505 W512	Y447-F454 HydrophobicContact CD1-CE2 4.08Å; Y447-F454 HydrophobicContact CD1-CZ 4.02Å; L449-F454 HydrophobicContact CB-CD2 4Å; L449-F454 HydrophobicContact CB-CE2 4.5Å; L449-F454 HydrophobicContact CD2-CD2 3.62Å; L449-F454 HydrophobicContact CD2-CE2 3.37Å; L449-F454 HydrophobicContact CD2-CG 4.48Å; L449-F454 HydrophobicContact CD2-CZ 4.03Å; L449-F454 HydrophobicContact CG-CD2 3.73Å; L449-F454 HydrophobicContact CG-CE2 3.73Å; F454-L467 HydrophobicContact CB-CB 4.31Å; F454-L467 HydrophobicContact CD1-CB 3.35Å; F454-L467 HydrophobicContact CD1-CD1 3.75Å; F454-L467 HydrophobicContact CD1-CG 4.23Å; F454-L467 HydrophobicContact CD2-CD1 4.23Å; F454-L467 HydrophobicContact CE1-CB 3.8Å; F454-L467 HydrophobicContact CE1-CD1 3.42Å; F454-L467 VanDerWaalsContact CE1-CD1 3.42Å; F454-L467 HydrophobicContact CE1-CG 4.29Å; F454-L467 HydrophobicContact CE2-CD1 3.92Å; F454-L467 HydrophobicContact CG-CB 3.88Å; F454-L467 HydrophobicContact CG-CD1 4.15Å; F454-L467 HydrophobicContact CZ-CD1 3.51Å; F454-L467 PolarHBondContact O-N 2.8Å; F454-A468 WeakPolarHBondContact CD1-O 3.37Å; F454-I486 HydrophobicContact CZ-CD1 4.22Å; F454-Y505 AromaticContact CE1-CD1 3.57Å; F454-Y505 HydrophobicContact CE1-CD1 3.57Å; F454-Y505 HydrophobicContact CE1-CD2 4.03Å; F454-Y505 AromaticContact CE1-CE1 3.41Å; F454-Y505 HydrophobicContact CE1-CE1 3.41Å; F454-Y505 VanDerWaalsContact CE1-CE1 3.41Å; F454-Y505 AromaticContact CE1-CE2 3.92Å; F454-Y505 HydrophobicContact CE1-CE2 3.92Å; F454-Y505 AromaticContact CE1-CG 3.86Å; F454-Y505 HydrophobicContact CE1-CG 3.86Å; F454-Y505 AromaticContact CE1-CZ 3.63Å; F454-Y505 AromaticContact CZ-CD1 3.63Å; F454-Y505 HydrophobicContact CZ-CD1 3.63Å; F454-Y505 AromaticContact CZ-CE1 3.67Å; F454-Y505 HydrophobicContact CZ-CE1 3.67Å; F454-Y505 HydrophobicContact CZ-CG 4.24Å; F454-W512 AromaticContact CD1-CZ2 3.8Å; F454-W512 HydrophobicContact CD1-CZ2 3.8Å; F454-W512 AromaticContact CE1-CZ2 3.69Å; F454-W512 HydrophobicContact CE1-CZ2 3.69Å; F454-W512 HydrophobicContact CG-CZ2 4.38Å; F454-W512 HydrophobicContact CZ-CZ2 4.21Å
455	F	94.2	Very high	93.2	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.7	-171.4	-67.6	-63.3	0	0	0	111.3	P431 V432 M434 Y447 V448 C453 W464 S465 H466	P431-F455 HydrophobicContact CB-CE1 3.81Å; P431-F455 HydrophobicContact CB-CE2 4.44Å; P431-F455 HydrophobicContact CB-CZ 3.76Å; P431-F455 HydrophobicContact CG-CD1 3.91Å; P431-F455 HydrophobicContact CG-CE1 3.58Å; P431-F455 HydrophobicContact CG-CG 4.5Å; P431-F455 HydrophobicContact CG-CZ 3.95Å; V432-F455 HydrophobicContact CG2-CE2 4.44Å; V432-F455 HydrophobicContact CG2-CZ 4.27Å; M434-F455 HydrophobicContact CE-CD2 3.53Å; M434-F455 HydrophobicContact CE-CE2 3.32Å; Y447-F455 CarbonylContact C-O 3.52Å; Y447-F455 WeakPolarHBondContact CA-O 3.22Å; V448-F455 PolarHBondContact N-O 2.96Å; V448-F455 PolarHBondContact O-N 3.21Å; C453-F455 HydrophobicContact CB-CD2 4.05Å; C453-F455 HydrophobicContact CB-CE2 3.51Å; C453-F455 HydrophobicContact CB-CZ 4.16Å; F455-W464 HydrophobicContact CB-CE3 3.71Å; F455-W464 HydrophobicContact CB-CZ3 3.82Å; F455-W464 HydrophobicContact CG-CE3 4.46Å; F455-S465 WeakPolarHBondContact CA-O 3.43Å; F455-H466 AromaticContact CE1-CD2 3.99Å; F455-H466 AromaticContact CE1-CE1 3.31Å; F455-H466 WeakPolarHBondContact CE1-CE1 3.4Å; F455-H466 AromaticContact CE1-CG 3.86Å; F455-H466 AromaticContact CE1-ND1 3.41Å; F455-H466 WeakPolarHBondContact CE1-ND1 3.46Å; F455-H466 AromaticContact CE1-NE2 3.64Å; F455-H466 AromaticContact CZ-CE1 3.93Å
456	C	94.8	Very high	93.1	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.054	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.7	169	173.6	0	0	0	0	109.5	Q445 I446 Y447 W464 S465 L467	Q445-C456 PolarHBondContact OE1-SG 3.18Å; Q445-C456 VanDerWaalsContact OE1-SG 3.4Å; I446-C456 CarbonylContact O-C 3.58Å; I446-C456 WeakPolarHBondContact O-CA 3.48Å; Y447-C456 HydrophobicContact CD1-CB 3.97Å; Y447-C456 HydrophobicContact CE1-CB 3.71Å; C456-W464 CarbonylContact O-C 3.58Å; C456-W464 WeakPolarHBondContact O-CA 3.37Å; C456-S465 PolarHBondContact N-O 2.71Å; C456-S465 PolarHBondContact O-N 2.62Å; C456-L467 HydrophobicContact CB-CD1 3.88Å; C456-L467 HydrophobicContact CB-CD2 4.44Å; C456-L467 HydrophobicContact CB-CG 4.13Å
457	Y	96.9	Very high	92.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.5	172.8	175.6	-108.1	0	0	0	109.6	Y396 V427 I446 P459 D462 Y463 W464	Y396-Y457 HydrophobicContact CD1-CE1 4.15Å; Y396-Y457 AromaticContact CE1-CE1 3.76Å; Y396-Y457 HydrophobicContact CE1-CE1 3.76Å; V427-Y457 WeakPolarHBondContact CB-OH 3.46Å; I446-Y457 HydrophobicContact CB-CD1 4.36Å; I446-Y457 HydrophobicContact CD1-CD1 4.05Å; I446-Y457 HydrophobicContact CG1-CD1 4.39Å; I446-Y457 PolarHBondContact N-O 2.84Å; I446-Y457 PolarHBondContact O-N 3.29Å; Y457-P459 HydrophobicContact CD1-CB 4.42Å; Y457-P459 HydrophobicContact CD1-CG 3.92Å; Y457-P459 HydrophobicContact CE1-CB 3.83Å; Y457-P459 HydrophobicContact CE1-CG 3.81Å; Y457-P459 WeakPolarHBondContact O-CD 3.09Å; Y457-D462 WeakPolarHBondContact CE2-OD1 3.41Å; Y457-D462 PolarHBondContact OH-OD1 2.62Å; Y457-Y463 WeakPolarHBondContact CA-O 3.45Å; Y457-W464 AromaticContact CD2-CD1 3.83Å; Y457-W464 AromaticContact CD2-CD2 3.87Å; Y457-W464 HydrophobicContact CD2-CD2 3.87Å; Y457-W464 AromaticContact CD2-CE2 3.44Å; Y457-W464 VanDerWaalsContact CD2-CE2 3.44Å; Y457-W464 HydrophobicContact CD2-CG 4.1Å; Y457-W464 AromaticContact CD2-CZ2 3.81Å; Y457-W464 HydrophobicContact CD2-CZ2 3.81Å; Y457-W464 AromaticContact CD2-NE1 3.41Å; Y457-W464 AromaticContact CE2-NE1 3.88Å; Y457-W464 HydrophobicContact CG-CD2 4.26Å; Y457-W464 AromaticContact CG-CE2 3.87Å; Y457-W464 HydrophobicContact CG-CH2 4.17Å; Y457-W464 AromaticContact CG-CZ2 3.8Å; Y457-W464 HydrophobicContact CG-CZ2 3.8Å
458	D	95.9	Very high	92.1	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.102	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	103.7	172.8	-176.7	-19.6	0	0	0	108.3	R460 K461 D462 Y463	D458-R460 PolarHBondContact O-N 3.44Å; D458-R460 WeakPolarHBondContact OD1-CB 3.45Å; D458-R460 PolarHBondContact OD1-N 3.19Å; D458-K461 HydrophobicContact CB-CB 4.34Å; D458-K461 PolarHBondContact O-N 3.22Å; D458-K461 PolarHBondContact OD1-N 3.09Å; D458-K461 VanDerWaalsContact OD2-CD 3.27Å; D458-K461 WeakPolarHBondContact OD2-CD 3.32Å; D458-K461 VanDerWaalsContact OD2-CE 3.29Å; D458-K461 WeakPolarHBondContact OD2-CE 3.48Å; D458-K461 IonicContact OD2-NZ 3.27Å; D458-K461 PolarHBondContact OD2-NZ 3.24Å; D458-D462 PolarHBondContact O-N 2.73Å; D458-Y463 PolarHBondContact N-O 2.76Å; D458-Y463 PolarHBondContact O-N 3.37Å
459	P	94.8	Very high	91.6	Very high	21 Å²	21	56.9 Å²	56.9	14%	0.136	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.4	-177	-18.7	31	0	0	0	114.1	Y396 D444 Y457	Y396-P459 HydrophobicContact CE1-CB 4.46Å; Y396-P459 WeakPolarHBondContact OH-CB 3.5Å; D444-P459 VanDerWaalsContact O-CD 3.26Å; D444-P459 WeakPolarHBondContact O-CD 3.49Å; Y457-P459 HydrophobicContact CD1-CB 4.42Å; Y457-P459 HydrophobicContact CD1-CG 3.92Å; Y457-P459 HydrophobicContact CE1-CB 3.83Å; Y457-P459 HydrophobicContact CE1-CG 3.81Å; Y457-P459 WeakPolarHBondContact O-CD 3.09Å
460	R	93.8	Very high	91.3	Very high	185 Å²	185	57.3 Å²	57.3	70%	0.698	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-28.8	179.2	-62.3	-179	177.3	147.2	7.1	111.8	D444 D458	D444-R460 IonicContact OD2-CZ 3.18Å; D444-R460 IonicContact OD2-NH2 3.05Å; D444-R460 PolarHBondContact OD2-NH2 3.34Å; D458-R460 PolarHBondContact O-N 3.44Å; D458-R460 WeakPolarHBondContact OD1-CB 3.45Å; D458-R460 PolarHBondContact OD1-N 3.19Å
461	K	94.1	Very high	90.9	Very high	154 Å²	154	58.3 Å²	58.3	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-9.8	179	-63.4	178.9	-168.8	143.1	0	113.3	D458 Y463	D458-K461 HydrophobicContact CB-CB 4.34Å; D458-K461 PolarHBondContact O-N 3.22Å; D458-K461 PolarHBondContact OD1-N 3.09Å; D458-K461 VanDerWaalsContact OD2-CD 3.27Å; D458-K461 WeakPolarHBondContact OD2-CD 3.32Å; D458-K461 VanDerWaalsContact OD2-CE 3.29Å; D458-K461 WeakPolarHBondContact OD2-CE 3.48Å; D458-K461 IonicContact OD2-NZ 3.27Å; D458-K461 PolarHBondContact OD2-NZ 3.24Å; K461-Y463 VanDerWaalsContact C-N 3.31Å; K461-Y463 PolarHBondContact O-N 2.95Å
462	D	95.6	Very high	90.8	Very high	61 Å²	61	59.6 Å²	59.6	33%	0.326	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	52.1	-170.4	-172.6	35.1	0	0	0	111.4	S428 Y457 D458	S428-D462 WeakPolarHBondContact CA-OD1 3.21Å; S428-D462 WeakPolarHBondContact CB-O 3.23Å; S428-D462 WeakPolarHBondContact CB-OD1 2.85Å; S428-D462 PolarHBondContact N-OD1 3.05Å; S428-D462 PolarHBondContact N-OD2 3.4Å; S428-D462 PolarHBondContact OG-O 2.79Å; S428-D462 PolarHBondContact OG-OD1 2.85Å; S428-D462 PolarHBondContact OG-OD2 2.69Å; Y457-D462 WeakPolarHBondContact CE2-OD1 3.41Å; Y457-D462 PolarHBondContact OH-OD1 2.62Å; D458-D462 PolarHBondContact O-N 2.73Å
463	Y	95.8	Very high	91	Very high	146 Å²	146	55.9 Å²	55.9	57%	0.573	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.9	-171.2	-175.6	-96.5	0	0	0	113.3	Y457 D458 K461	Y457-Y463 WeakPolarHBondContact CA-O 3.45Å; D458-Y463 PolarHBondContact N-O 2.76Å; D458-Y463 PolarHBondContact O-N 3.37Å; K461-Y463 VanDerWaalsContact C-N 3.31Å; K461-Y463 PolarHBondContact O-N 2.95Å
464	W	96.3	Very high	90.9	Very high	16 Å²	16	54.1 Å²	54.1	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.8	179	-71.1	92.3	0	0	0	112	L398 V414 S428 P429 M430 P431 V448 F455 C456 Y457	L398-W464 HydrophobicContact CD2-CH2 4.05Å; L398-W464 HydrophobicContact CD2-CZ2 4.22Å; V414-W464 HydrophobicContact CG2-CZ2 4.01Å; S428-W464 PolarHBondContact O-NE1 3.04Å; P429-W464 VanDerWaalsContact O-CD1 3.3Å; P429-W464 PolarHBondContact O-NE1 3.4Å; M430-W464 HydrophobicContact CG-CH2 3.74Å; M430-W464 HydrophobicContact CG-CZ2 3.62Å; M430-W464 HydrophobicContact CG-CZ3 4.41Å; P431-W464 HydrophobicContact CG-CB 3.85Å; P431-W464 HydrophobicContact CG-CG 4.22Å; V448-W464 HydrophobicContact CB-CZ3 4.23Å; V448-W464 HydrophobicContact CG2-CH2 3.76Å; V448-W464 HydrophobicContact CG2-CZ3 3.87Å; F455-W464 HydrophobicContact CB-CE3 3.71Å; F455-W464 HydrophobicContact CB-CZ3 3.82Å; F455-W464 HydrophobicContact CG-CE3 4.46Å; C456-W464 CarbonylContact O-C 3.58Å; C456-W464 WeakPolarHBondContact O-CA 3.37Å; Y457-W464 AromaticContact CD2-CD1 3.83Å; Y457-W464 AromaticContact CD2-CD2 3.87Å; Y457-W464 HydrophobicContact CD2-CD2 3.87Å; Y457-W464 AromaticContact CD2-CE2 3.44Å; Y457-W464 VanDerWaalsContact CD2-CE2 3.44Å; Y457-W464 HydrophobicContact CD2-CG 4.1Å; Y457-W464 AromaticContact CD2-CZ2 3.81Å; Y457-W464 HydrophobicContact CD2-CZ2 3.81Å; Y457-W464 AromaticContact CD2-NE1 3.41Å; Y457-W464 AromaticContact CE2-NE1 3.88Å; Y457-W464 HydrophobicContact CG-CD2 4.26Å; Y457-W464 AromaticContact CG-CE2 3.87Å; Y457-W464 HydrophobicContact CG-CH2 4.17Å; Y457-W464 AromaticContact CG-CZ2 3.8Å; Y457-W464 HydrophobicContact CG-CZ2 3.8Å
465	S	93.2	Very high	90.6	Very high	49 Å²	49	55.6 Å²	55.6	34%	0.343	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.3	175.2	-57	0	0	0	0	111	F455 C456	F455-S465 WeakPolarHBondContact CA-O 3.43Å; C456-S465 PolarHBondContact N-O 2.71Å; C456-S465 PolarHBondContact O-N 2.62Å
466	H	91.1	Very high	90.2	Very high	145 Å²	145	59.9 Å²	59.9	67%	0.671	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.3	172.6	-72.1	-110.1	0	0	0	110.5	F455	F455-H466 AromaticContact CE1-CD2 3.99Å; F455-H466 AromaticContact CE1-CE1 3.31Å; F455-H466 WeakPolarHBondContact CE1-CE1 3.4Å; F455-H466 AromaticContact CE1-CG 3.86Å; F455-H466 AromaticContact CE1-ND1 3.41Å; F455-H466 WeakPolarHBondContact CE1-ND1 3.46Å; F455-H466 AromaticContact CE1-NE2 3.64Å; F455-H466 AromaticContact CZ-CE1 3.93Å
467	L	88.4	Confident	89.9	Confident	43 Å²	43	59.8 Å²	59.8	23%	0.225	31%	0.314	C	S	.	.			trans	-115.3	172.4	176.1	-65	178.3	0	0	0	111.8	Y447 F454 C456 Y505	Y447-L467 HydrophobicContact CD1-CD1 3.6Å; Y447-L467 HydrophobicContact CE1-CD1 3.66Å; F454-L467 HydrophobicContact CB-CB 4.31Å; F454-L467 HydrophobicContact CD1-CB 3.35Å; F454-L467 HydrophobicContact CD1-CD1 3.75Å; F454-L467 HydrophobicContact CD1-CG 4.23Å; F454-L467 HydrophobicContact CD2-CD1 4.23Å; F454-L467 HydrophobicContact CE1-CB 3.8Å; F454-L467 HydrophobicContact CE1-CD1 3.42Å; F454-L467 VanDerWaalsContact CE1-CD1 3.42Å; F454-L467 HydrophobicContact CE1-CG 4.29Å; F454-L467 HydrophobicContact CE2-CD1 3.92Å; F454-L467 HydrophobicContact CG-CB 3.88Å; F454-L467 HydrophobicContact CG-CD1 4.15Å; F454-L467 HydrophobicContact CZ-CD1 3.51Å; F454-L467 PolarHBondContact O-N 2.8Å; C456-L467 HydrophobicContact CB-CD1 3.88Å; C456-L467 HydrophobicContact CB-CD2 4.44Å; C456-L467 HydrophobicContact CB-CG 4.13Å; L467-Y505 HydrophobicContact CD1-CE1 4.39Å
468	A	83.4	Confident	89.6	Confident	30 Å²	30	60.8 Å²	60.8	25%	0.248	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.3	126.7	177.5	0	0	0	0	0	110.8	F454 W512	F454-A468 WeakPolarHBondContact CD1-O 3.37Å; A468-W512 PolarHBondContact O-NE1 2.92Å
469	P	84.6	Confident	89.4	Confident	90 Å²	90	61 Å²	61	58%	0.584	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-62.4	150.5	-178.1	27.2	-34.6	0	0	0	111.1	W512	P469-W512 PolarHBondContact O-NE1 3.22Å
470	M	84	Confident	89.3	Confident	9 Å²	9	60.4 Å²	60.4	4%	0.044	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61.6	148.6	175.7	-66.8	156.4	-76.9	0	0	111	L449 G451 C453 V472 Y488 W512	L449-M470 HydrophobicContact CB-CE 4.36Å; L449-M470 HydrophobicContact CB-SD 4.09Å; G451-M470 WeakPolarHBondContact O-CE 3.34Å; C453-M470 WeakPolarHBondContact O-CE 3.4Å; M470-V472 VanDerWaalsContact C-N 3.31Å; M470-V472 PolarHBondContact O-N 3.11Å; M470-Y488 HydrophobicContact CG-CD1 4.24Å; M470-Y488 HydrophobicContact SD-CD1 3.42Å; M470-Y488 WeakPolarHBondContact SD-CD1 3.2Å; M470-Y488 HydrophobicContact SD-CE1 3.24Å; M470-Y488 WeakPolarHBondContact SD-CE1 3.21Å; M470-Y488 HydrophobicContact SD-CG 4.45Å; M470-W512 HydrophobicContact CB-CZ2 4.37Å; M470-W512 HydrophobicContact CG-CD2 4.42Å; M470-W512 HydrophobicContact CG-CH2 3.64Å; M470-W512 HydrophobicContact CG-CZ2 3.33Å; M470-W512 HydrophobicContact CG-CZ3 4.31Å
471	G	81.1	Confident	89.3	Confident	57 Å²	57	53.9 Å²	53.9	59%	0.588	30%	0.3	S	S	*	.	S	Bend	trans	-65.4	-35.4	176	0	0	0	0	0	112.5	E503	G471-E503 WeakPolarHBondContact CA-OE1 2.9Å; G471-E503 PolarHBondContact N-OE1 2.94Å
472	V	84.3	Confident	89.2	Confident	47 Å²	47	47 Å²	47	29%	0.285	27%	0.269	S	S	.	.	S	Bend	trans	-120.2	102	174.1	-175.1	0	0	0	0	111	M470 R474 E503	M470-V472 VanDerWaalsContact C-N 3.31Å; M470-V472 PolarHBondContact O-N 3.11Å; V472-R474 PolarHBondContact O-N 3.35Å; V472-E503 PolarHBondContact N-OE1 2.97Å; V472-E503 VanDerWaalsContact N-OE1 3.11Å; V472-E503 PolarHBondContact N-OE2 2.91Å
473	P	86.5	Confident	88.9	Confident	46 Å²	46	50 Å²	50	30%	0.299	28%	0.28	S	S	.	.			trans	-61.6	121.8	176.3	-26.4	35.9	0	0	0	113.1	G451 E452	G451-P473 WeakPolarHBondContact O-CA 3.18Å; G451-P473 WeakPolarHBondContact O-CB 3.41Å; E452-P473 HydrophobicContact CG-CB 3.51Å; E452-P473 HydrophobicContact CG-CG 3.61Å
474	R	88.3	Confident	88.6	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150	-176.3	60.8	-163.8	174	-126.6	-21.3	113.2	G451 V472 Y488 A490 I492 T499 T501 E503	G451-R474 WeakPolarHBondContact CA-O 3.14Å; G451-R474 PolarHBondContact N-O 3.2Å; G451-R474 PolarHBondContact O-N 3.3Å; V472-R474 PolarHBondContact O-N 3.35Å; R474-Y488 HydrophobicContact CG-CD1 4.17Å; R474-Y488 HydrophobicContact CG-CE1 3.31Å; R474-Y488 PolarHBondContact NH2-O 3.14Å; R474-Y488 PolarHBondContact O-OH 3.4Å; R474-Y488 VanDerWaalsContact O-OH 3.06Å; R474-A490 WeakPolarHBondContact CD-O 3.26Å; R474-A490 PolarHBondContact NE-O 3.33Å; R474-I492 CarbonylContact C-O 3.53Å; R474-I492 WeakPolarHBondContact CA-O 3.39Å; R474-T499 HydrophobicContact CB-CG2 4.3Å; R474-T501 PolarHBondContact NH1-OG1 3.48Å; R474-E503 IonicContact CZ-OE2 3.71Å; R474-E503 IonicContact NH1-OE2 3.8Å; R474-E503 PolarHBondContact NH1-OE2 2.85Å; R474-E503 IonicContact NH2-OE2 3.97Å; R474-E503 PolarHBondContact NH2-OE2 2.91Å
475	S	86.3	Confident	88.4	Confident	36 Å²	36	48.4 Å²	48.4	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	162.8	173.1	64.5	0	0	0	0	110.3	G477 G491 I492	S475-G477 PolarHBondContact O-N 2.87Å; S475-G491 CarbonylContact O-C 3.55Å; S475-G491 WeakPolarHBondContact O-CA 3.31Å; S475-I492 PolarHBondContact N-O 3.04Å; S475-I492 PolarHBondContact O-N 3.27Å; S475-I492 PolarHBondContact OG-O 2.83Å
476	Q	86.1	Confident	88.4	Confident	93 Å²	93	46 Å²	46	44%	0.435	27%	0.268	S	S	.	.	S	Bend	trans	55.5	22.3	-177	-62.9	177.6	16.3	0	0	114	F436 I492	F436-Q476 HydrophobicContact CB-CG 3.63Å; F436-Q476 HydrophobicContact CD1-CG 4.24Å; F436-Q476 HydrophobicContact CD2-CG 4.36Å; F436-Q476 HydrophobicContact CG-CG 3.88Å; F436-Q476 PolarHBondContact O-N 2.79Å; Q476-I492 VanDerWaalsContact OE1-CD1 3.23Å
477	G	87.4	Confident	88.5	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	24%	0.238	C	C	.	.			trans	-68.8	162.1	172.8	0	0	0	0	0	111.5	S438 S475 A490	S438-G477 PolarHBondContact OG-O 3.32Å; S475-G477 PolarHBondContact O-N 2.87Å; G477-A490 WeakPolarHBondContact CA-O 3.46Å
478	L	90.7	Very high	88.7	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	177	-57.7	170	0	0	0	108	Y488 I489 I528 K529 A530 L539	L478-Y488 CarbonylContact O-C 3.48Å; L478-Y488 WeakPolarHBondContact O-CA 3.45Å; L478-I489 HydrophobicContact CB-CB 4.29Å; L478-I489 WeakPolarHBondContact CB-O 3.33Å; L478-I489 PolarHBondContact N-O 2.82Å; L478-I489 PolarHBondContact O-N 3.32Å; L478-I528 HydrophobicContact CD1-CB 4.22Å; L478-I528 HydrophobicContact CD1-CD1 3.95Å; L478-I528 HydrophobicContact CD1-CG1 3.8Å; L478-K529 HydrophobicContact CD2-CD 4.12Å; L478-A530 HydrophobicContact CB-CB 3.91Å; L478-A530 HydrophobicContact CD1-CB 4.16Å; L478-L539 HydrophobicContact CD1-CD2 4.29Å
479	A	92.4	Very high	89.2	Confident	23 Å²	23	36.3 Å²	36.3	19%	0.19	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.2	174.2	0	0	0	0	0	109.7	S438 V440 L449 Y487 Y488	S438-A479 VanDerWaalsContact CB-CB 3.42Å; V440-A479 HydrophobicContact CG1-CB 3.64Å; L449-A479 HydrophobicContact CD1-CB 3.44Å; L449-A479 VanDerWaalsContact CD1-CB 3.44Å; A479-Y487 CarbonylContact C-O 3.5Å; A479-Y487 VanDerWaalsContact CA-O 3.28Å; A479-Y487 WeakPolarHBondContact CA-O 3.38Å; A479-Y488 HydrophobicContact CB-CD2 4.13Å
480	A	92.8	Very high	89.4	Confident	9 Å²	9	32.2 Å²	32.2	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.8	173.6	0	0	0	0	0	109.7	Y487 A530 L537	A480-Y487 PolarHBondContact N-O 3.09Å; A480-Y487 PolarHBondContact O-N 2.89Å; A480-A530 HydrophobicContact CB-CB 4.37Å; A480-L537 HydrophobicContact CB-CD1 3.81Å
481	L	92.7	Very high	89.6	Confident	47 Å²	47	32.3 Å²	32.3	25%	0.246	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.2	171.6	-178.6	72.8	0	0	0	109.2	Y442 I486 L532	Y442-L481 HydrophobicContact CD2-CD1 3.55Å; Y442-L481 HydrophobicContact CD2-CD2 3.81Å; Y442-L481 HydrophobicContact CD2-CG 4.31Å; Y442-L481 HydrophobicContact CE2-CD1 4.28Å; Y442-L481 HydrophobicContact CG-CD1 4.04Å; L481-I486 HydrophobicContact CD1-CG1 4.35Å; L481-L532 WeakPolarHBondContact O-CD1 3.35Å; L481-L532 WeakPolarHBondContact O-CD2 3.48Å
482	Y	92.8	Very high	89.9	Confident	9 Å²	9	31.3 Å²	31.3	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.9	176.6	178.3	-113.6	0	0	0	110.4	N484 C485 Y487 L532 G535 L537 Y564 D566	Y482-N484 VanDerWaalsContact C-N 3.29Å; Y482-N484 PolarHBondContact O-N 3.35Å; Y482-C485 PolarHBondContact N-O 3.11Å; Y482-C485 PolarHBondContact O-N 3.25Å; Y482-C485 VanDerWaalsContact O-O 3.12Å; Y482-Y487 HydrophobicContact CD1-CD2 4.44Å; Y482-Y487 HydrophobicContact CD1-CE1 4.49Å; Y482-Y487 AromaticContact CD1-CE2 3.72Å; Y482-Y487 HydrophobicContact CD1-CE2 3.72Å; Y482-Y487 AromaticContact CD1-CZ 3.75Å; Y482-Y487 HydrophobicContact CG-CE2 4.26Å; Y482-Y487 WeakPolarHBondContact O-CE2 3.29Å; Y482-L532 HydrophobicContact CD2-CD2 3.88Å; Y482-G535 WeakPolarHBondContact CE2-O 3.16Å; Y482-L537 HydrophobicContact CD1-CB 4.23Å; Y482-L537 HydrophobicContact CD2-CB 4.08Å; Y482-L537 HydrophobicContact CE2-CB 4.42Å; Y482-L537 HydrophobicContact CG-CB 3.98Å; Y482-Y564 HydrophobicContact CE1-CD1 4.22Å; Y482-D566 HydrophobicContact CE1-CB 4.17Å; Y482-D566 PolarHBondContact OH-OD1 3.35Å
483	K	88.4	Confident	90	Very high	126 Å²	126	30.2 Å²	30.2	55%	0.548	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	52	-176.6	-66.3	-170.9	175.1	-172.5	0	113	C485 D566	K483-C485 PolarHBondContact O-N 3.33Å; K483-C485 VanDerWaalsContact O-N 3.13Å; K483-D566 IonicContact NZ-OD1 3.31Å; K483-D566 PolarHBondContact NZ-OD1 2.81Å; K483-D566 VanDerWaalsContact NZ-OD1 3.09Å; K483-D566 IonicContact NZ-OD2 3.93Å; K483-D566 PolarHBondContact NZ-OD2 2.94Å
484	N	89.1	Confident	89.7	Confident	100 Å²	100	38.2 Å²	38.2	54%	0.535	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	9.4	179.6	-59.9	-24.7	0	0	0	116.5	Y442 Y482	Y442-N484 HydrophobicContact CE2-CB 3.97Å; Y482-N484 VanDerWaalsContact C-N 3.29Å; Y482-N484 PolarHBondContact O-N 3.35Å
485	C	92.2	Very high	89.4	Confident	27 Å²	27	42.7 Å²	42.7	18%	0.182	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.5	176.7	-58.7	0	0	0	0	110.8	Y482 K483 Y487 V504 Y505	Y482-C485 PolarHBondContact N-O 3.11Å; Y482-C485 PolarHBondContact O-N 3.25Å; Y482-C485 VanDerWaalsContact O-O 3.12Å; K483-C485 PolarHBondContact O-N 3.33Å; K483-C485 VanDerWaalsContact O-N 3.13Å; C485-Y487 HydrophobicContact CB-CD2 4.47Å; C485-Y487 HydrophobicContact CB-CE2 4.1Å; C485-V504 HydrophobicContact CB-CG1 3.43Å; C485-V504 VanDerWaalsContact CB-CG1 3.43Å; C485-Y505 WeakPolarHBondContact CA-O 3.38Å
486	I	93.6	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.8	175.5	-59.8	174.9	0	0	0	108.4	V440 Y447 L449 F454 L481 V504 Y505 M507	V440-I486 HydrophobicContact CG2-CD1 3.7Å; V440-I486 HydrophobicContact CG2-CG1 3.94Å; V440-I486 HydrophobicContact CG2-CG2 4Å; Y447-I486 HydrophobicContact CD1-CD1 4.07Å; Y447-I486 HydrophobicContact CD2-CD1 4.05Å; Y447-I486 HydrophobicContact CG-CD1 3.66Å; L449-I486 HydrophobicContact CD2-CG2 4.17Å; F454-I486 HydrophobicContact CZ-CD1 4.22Å; L481-I486 HydrophobicContact CD1-CG1 4.35Å; I486-V504 WeakPolarHBondContact O-CA 3.3Å; I486-Y505 HydrophobicContact CD1-CD1 4.31Å; I486-Y505 PolarHBondContact N-O 3.33Å; I486-Y505 PolarHBondContact O-N 3.25Å; I486-M507 HydrophobicContact CD1-SD 3.63Å; I486-M507 HydrophobicContact CG1-SD 4.12Å
487	Y	93.6	Very high	89	Confident	14 Å²	14	49.6 Å²	49.6	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.9	173.2	-77.4	-113.1	0	0	0	108.8	A479 A480 Y482 C485 V502 V504 L537 Y564	A479-Y487 CarbonylContact C-O 3.5Å; A479-Y487 VanDerWaalsContact CA-O 3.28Å; A479-Y487 WeakPolarHBondContact CA-O 3.38Å; A480-Y487 PolarHBondContact N-O 3.09Å; A480-Y487 PolarHBondContact O-N 2.89Å; Y482-Y487 HydrophobicContact CD1-CD2 4.44Å; Y482-Y487 HydrophobicContact CD1-CE1 4.49Å; Y482-Y487 AromaticContact CD1-CE2 3.72Å; Y482-Y487 HydrophobicContact CD1-CE2 3.72Å; Y482-Y487 AromaticContact CD1-CZ 3.75Å; Y482-Y487 HydrophobicContact CG-CE2 4.26Å; Y482-Y487 WeakPolarHBondContact O-CE2 3.29Å; C485-Y487 HydrophobicContact CB-CD2 4.47Å; C485-Y487 HydrophobicContact CB-CE2 4.1Å; Y487-V502 HydrophobicContact CD1-CG1 4.1Å; Y487-V504 HydrophobicContact CD1-CG2 3.51Å; Y487-V504 HydrophobicContact CD2-CG1 4.2Å; Y487-V504 HydrophobicContact CD2-CG2 4.17Å; Y487-V504 HydrophobicContact CE1-CG2 3.38Å; Y487-V504 HydrophobicContact CE2-CG1 3.89Å; Y487-V504 HydrophobicContact CE2-CG2 4.03Å; Y487-V504 HydrophobicContact CG-CG2 3.91Å; Y487-L537 HydrophobicContact CD1-CD2 3.69Å; Y487-L537 HydrophobicContact CE1-CD2 4.13Å; Y487-L537 HydrophobicContact CG-CD2 4.04Å; Y487-Y564 HydrophobicContact CE1-CD1 4.34Å; Y487-Y564 AromaticContact CE1-CE1 3.79Å; Y487-Y564 HydrophobicContact CE1-CE1 3.79Å
488	Y	93.2	Very high	88.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.9	172.7	-163.2	-135.2	0	0	0	109.5	L449 M470 R474 L478 A479 E503	L449-Y488 HydrophobicContact CD1-CD2 4.22Å; L449-Y488 HydrophobicContact CD1-CE2 4.25Å; M470-Y488 HydrophobicContact CG-CD1 4.24Å; M470-Y488 HydrophobicContact SD-CD1 3.42Å; M470-Y488 WeakPolarHBondContact SD-CD1 3.2Å; M470-Y488 HydrophobicContact SD-CE1 3.24Å; M470-Y488 WeakPolarHBondContact SD-CE1 3.21Å; M470-Y488 HydrophobicContact SD-CG 4.45Å; R474-Y488 HydrophobicContact CG-CD1 4.17Å; R474-Y488 HydrophobicContact CG-CE1 3.31Å; R474-Y488 PolarHBondContact NH2-O 3.14Å; R474-Y488 PolarHBondContact O-OH 3.4Å; R474-Y488 VanDerWaalsContact O-OH 3.06Å; L478-Y488 CarbonylContact O-C 3.48Å; L478-Y488 WeakPolarHBondContact O-CA 3.45Å; A479-Y488 HydrophobicContact CB-CD2 4.13Å; Y488-E503 PolarHBondContact N-O 2.98Å; Y488-E503 PolarHBondContact O-N 3.39Å
489	I	92.1	Very high	88.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126	-165.9	-60	160.1	0	0	0	109.4	L478 V502 L518 A530 L537 L539 W571	L478-I489 HydrophobicContact CB-CB 4.29Å; L478-I489 WeakPolarHBondContact CB-O 3.33Å; L478-I489 PolarHBondContact N-O 2.82Å; L478-I489 PolarHBondContact O-N 3.32Å; I489-V502 HydrophobicContact CG1-CG1 3.99Å; I489-V502 HydrophobicContact CG1-CG2 4.3Å; I489-V502 HydrophobicContact CG2-CG2 4.19Å; I489-L518 HydrophobicContact CG2-CD1 3.88Å; I489-L518 HydrophobicContact CG2-CD2 4.06Å; I489-L518 HydrophobicContact CG2-CG 4.27Å; I489-A530 HydrophobicContact CD1-CB 4.08Å; I489-L537 HydrophobicContact CD1-CD1 4.38Å; I489-L537 HydrophobicContact CD1-CD2 4.09Å; I489-L539 HydrophobicContact CD1-CD2 4.39Å; I489-L539 HydrophobicContact CG2-CD1 4.46Å; I489-L539 HydrophobicContact CG2-CD2 4.22Å; I489-W571 HydrophobicContact CD1-CH2 4.4Å
490	A	90.1	Very high	88.5	Confident	3 Å²	3	53 Å²	53	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	-176.3	173.2	0	0	0	0	0	114.3	R474 G477 T499 F500 T501 L518 I528	R474-A490 WeakPolarHBondContact CD-O 3.26Å; R474-A490 PolarHBondContact NE-O 3.33Å; G477-A490 WeakPolarHBondContact CA-O 3.46Å; A490-T499 CarbonylContact C-O 3.56Å; A490-T499 WeakPolarHBondContact CA-O 3.1Å; A490-T499 VanDerWaalsContact CB-O 3.24Å; A490-T499 WeakPolarHBondContact CB-O 3.4Å; A490-F500 HydrophobicContact CB-CD1 4.41Å; A490-T501 PolarHBondContact N-O 2.91Å; A490-L518 HydrophobicContact CB-CD1 4.22Å; A490-I528 HydrophobicContact CB-CD1 3.39Å
491	G	87.9	Confident	88.4	Confident	11 Å²	11	53.3 Å²	53.3	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.1	-162.2	175.4	0	0	0	0	0	112.3	S475 R498 T499	S475-G491 CarbonylContact O-C 3.55Å; S475-G491 WeakPolarHBondContact O-CA 3.31Å; G491-R498 WeakPolarHBondContact O-CA 3.42Å; G491-T499 PolarHBondContact N-O 2.69Å; G491-T499 PolarHBondContact O-N 3.31Å
492	I	86.9	Confident	88.4	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.185	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.7	179.5	-56.7	179.9	0	0	0	108.7	R474 S475 Q476	R474-I492 CarbonylContact C-O 3.53Å; R474-I492 WeakPolarHBondContact CA-O 3.39Å; S475-I492 PolarHBondContact N-O 3.04Å; S475-I492 PolarHBondContact O-N 3.27Å; S475-I492 PolarHBondContact OG-O 2.83Å; Q476-I492 VanDerWaalsContact OE1-CD1 3.23Å
493	C	86.8	Confident	88.5	Confident	25 Å²	25	51.3 Å²	51.3	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	167.8	176.3	-65.6	0	0	0	0	111.5	N495 H496 Q497	C493-N495 WeakPolarHBondContact CB-OD1 3.25Å; C493-N495 PolarHBondContact O-N 2.74Å; C493-N495 VanDerWaalsContact O-N 3.11Å; C493-H496 WeakPolarHBondContact O-CA 3.34Å; C493-H496 PolarHBondContact O-N 3.06Å; C493-Q497 PolarHBondContact N-O 2.88Å
494	R	81	Confident	88.7	Confident	214 Å²	214	45.6 Å²	45.6	81%	0.808	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.2	-179.3	-170.9	175.7	179.8	172.8	-0.3	114.2	H496	R494-H496 PolarHBondContact O-N 2.92Å
495	N	81.6	Confident	88.9	Confident	94 Å²	94	41 Å²	41	50%	0.503	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	13.3	175.8	66.1	-5.8	0	0	0	113.7	C493 Q497	C493-N495 WeakPolarHBondContact CB-OD1 3.25Å; C493-N495 PolarHBondContact O-N 2.74Å; C493-N495 VanDerWaalsContact O-N 3.11Å; N495-Q497 PolarHBondContact ND2-OE1 2.76Å; N495-Q497 PolarHBondContact O-N 3.34Å; N495-Q497 VanDerWaalsContact O-N 3.09Å; N495-Q497 VanDerWaalsContact OD1-CB 3.25Å; N495-Q497 WeakPolarHBondContact OD1-CB 3.33Å; N495-Q497 PolarHBondContact OD1-N 3.43Å
496	H	79.9	Confident	88.8	Confident	165 Å²	165	42 Å²	42	76%	0.764	20%	0.196	S	C	*	.	S	Bend	trans	59.7	13.1	-174.7	-56.9	-60.1	0	0	0	115.1	C493 R494	C493-H496 WeakPolarHBondContact O-CA 3.34Å; C493-H496 PolarHBondContact O-N 3.06Å; R494-H496 PolarHBondContact O-N 2.92Å
497	Q	84.1	Confident	88.3	Confident	109 Å²	109	43.5 Å²	43.5	51%	0.509	20%	0.204	S	C	.	.			trans	-81.9	139.6	171.9	-64.4	-177.8	-24.6	0	0	110.3	C493 N495	C493-Q497 PolarHBondContact N-O 2.88Å; N495-Q497 PolarHBondContact ND2-OE1 2.76Å; N495-Q497 PolarHBondContact O-N 3.34Å; N495-Q497 VanDerWaalsContact O-N 3.09Å; N495-Q497 VanDerWaalsContact OD1-CB 3.25Å; N495-Q497 WeakPolarHBondContact OD1-CB 3.33Å; N495-Q497 PolarHBondContact OD1-N 3.43Å
498	R	83.6	Confident	87.9	Confident	86 Å²	86	50.1 Å²	50.1	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.2	171.4	-68.2	-179.2	176	-153.8	-2.9	109.2	G491 P526	G491-R498 WeakPolarHBondContact O-CA 3.42Å; R498-P526 PolarHBondContact NH1-O 3.28Å
499	T	87.9	Confident	87.5	Confident	20 Å²	20	52.9 Å²	52.9	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.2	170.4	-171.8	0	0	0	0	109.2	R474 A490 G491 T501	R474-T499 HydrophobicContact CB-CG2 4.3Å; A490-T499 CarbonylContact C-O 3.56Å; A490-T499 WeakPolarHBondContact CA-O 3.1Å; A490-T499 VanDerWaalsContact CB-O 3.24Å; A490-T499 WeakPolarHBondContact CB-O 3.4Å; G491-T499 PolarHBondContact N-O 2.69Å; G491-T499 PolarHBondContact O-N 3.31Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.24Å; T499-T501 PolarHBondContact OG1-N 3.41Å; T499-T501 PolarHBondContact OG1-OG1 2.9Å
500	F	89.1	Confident	87.2	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	18.6	174.9	-61.5	-60.5	0	0	0	111.6	A490 L518 F520 P526	A490-F500 HydrophobicContact CB-CD1 4.41Å; F500-L518 HydrophobicContact CB-CB 4.08Å; F500-L518 HydrophobicContact CB-CD1 4.49Å; F500-L518 HydrophobicContact CB-CG 4.36Å; F500-L518 HydrophobicContact CD1-CD1 4.29Å; F500-L518 PolarHBondContact O-N 3.01Å; F500-F520 HydrophobicContact CD1-CB 4.5Å; F500-F520 HydrophobicContact CD2-CB 4.25Å; F500-F520 WeakPolarHBondContact CD2-O 3.11Å; F500-F520 HydrophobicContact CE1-CB 4.45Å; F500-F520 HydrophobicContact CE2-CB 4.19Å; F500-F520 HydrophobicContact CG-CB 4.41Å; F500-F520 HydrophobicContact CZ-CB 4.29Å; F500-P526 HydrophobicContact CE1-CG 4.02Å; F500-P526 HydrophobicContact CZ-CG 4.15Å
501	T	90.7	Very high	87.1	Confident	15 Å²	15	60.1 Å²	60.1	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.2	177.8	48.7	0	0	0	0	111.3	R474 A490 T499 D517	R474-T501 PolarHBondContact NH1-OG1 3.48Å; A490-T501 PolarHBondContact N-O 2.91Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.24Å; T499-T501 PolarHBondContact OG1-N 3.41Å; T499-T501 PolarHBondContact OG1-OG1 2.9Å; T501-D517 WeakPolarHBondContact CA-OD1 3.38Å
502	V	92.8	Very high	87.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.3	174.8	-177.6	0	0	0	0	108.3	Y487 I489 K515 R516 L518 W571	Y487-V502 HydrophobicContact CD1-CG1 4.1Å; I489-V502 HydrophobicContact CG1-CG1 3.99Å; I489-V502 HydrophobicContact CG1-CG2 4.3Å; I489-V502 HydrophobicContact CG2-CG2 4.19Å; V502-K515 HydrophobicContact CB-CB 4.28Å; V502-K515 HydrophobicContact CG1-CB 4.03Å; V502-K515 PolarHBondContact O-N 2.83Å; V502-R516 WeakPolarHBondContact CG2-O 3.33Å; V502-L518 HydrophobicContact CG2-CD2 3.87Å; V502-L518 HydrophobicContact CG2-CG 4.33Å; V502-W571 HydrophobicContact CG2-CZ2 4.46Å
503	E	93.4	Very high	87.6	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.065	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.4	173.3	-61.8	178.7	112.2	0	0	109.8	G471 V472 R474 Y488 W512 S513	G471-E503 WeakPolarHBondContact CA-OE1 2.9Å; G471-E503 PolarHBondContact N-OE1 2.94Å; V472-E503 PolarHBondContact N-OE1 2.97Å; V472-E503 VanDerWaalsContact N-OE1 3.11Å; V472-E503 PolarHBondContact N-OE2 2.91Å; R474-E503 IonicContact CZ-OE2 3.71Å; R474-E503 IonicContact NH1-OE2 3.8Å; R474-E503 PolarHBondContact NH1-OE2 2.85Å; R474-E503 IonicContact NH2-OE2 3.97Å; R474-E503 PolarHBondContact NH2-OE2 2.91Å; Y488-E503 PolarHBondContact N-O 2.98Å; Y488-E503 PolarHBondContact O-N 3.39Å; E503-W512 HydrophobicContact CB-CE3 3.71Å; E503-W512 HydrophobicContact CB-CZ3 3.98Å; E503-S513 CarbonylContact C-O 3.5Å; E503-S513 WeakPolarHBondContact CA-O 3.37Å
504	V	93.6	Very high	87.9	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.2	-179.5	-179	0	0	0	0	108	C485 I486 Y487 S513 K515	C485-V504 HydrophobicContact CB-CG1 3.43Å; C485-V504 VanDerWaalsContact CB-CG1 3.43Å; I486-V504 WeakPolarHBondContact O-CA 3.3Å; Y487-V504 HydrophobicContact CD1-CG2 3.51Å; Y487-V504 HydrophobicContact CD2-CG1 4.2Å; Y487-V504 HydrophobicContact CD2-CG2 4.17Å; Y487-V504 HydrophobicContact CE1-CG2 3.38Å; Y487-V504 HydrophobicContact CE2-CG1 3.89Å; Y487-V504 HydrophobicContact CE2-CG2 4.03Å; Y487-V504 HydrophobicContact CG-CG2 3.91Å; V504-S513 PolarHBondContact N-O 2.89Å; V504-S513 PolarHBondContact O-N 3.41Å; V504-S513 PolarHBondContact O-OG 3.31Å; V504-K515 HydrophobicContact CB-CG 4.35Å; V504-K515 HydrophobicContact CG2-CB 4.32Å; V504-K515 HydrophobicContact CG2-CG 3.41Å; V504-K515 VanDerWaalsContact CG2-CG 3.41Å
505	Y	92.4	Very high	88.4	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.9	173.3	-179.4	-113.4	0	0	0	109.5	F454 L467 C485 I486 M507 N510 T511 W512	F454-Y505 AromaticContact CE1-CD1 3.57Å; F454-Y505 HydrophobicContact CE1-CD1 3.57Å; F454-Y505 HydrophobicContact CE1-CD2 4.03Å; F454-Y505 AromaticContact CE1-CE1 3.41Å; F454-Y505 HydrophobicContact CE1-CE1 3.41Å; F454-Y505 VanDerWaalsContact CE1-CE1 3.41Å; F454-Y505 AromaticContact CE1-CE2 3.92Å; F454-Y505 HydrophobicContact CE1-CE2 3.92Å; F454-Y505 AromaticContact CE1-CG 3.86Å; F454-Y505 HydrophobicContact CE1-CG 3.86Å; F454-Y505 AromaticContact CE1-CZ 3.63Å; F454-Y505 AromaticContact CZ-CD1 3.63Å; F454-Y505 HydrophobicContact CZ-CD1 3.63Å; F454-Y505 AromaticContact CZ-CE1 3.67Å; F454-Y505 HydrophobicContact CZ-CE1 3.67Å; F454-Y505 HydrophobicContact CZ-CG 4.24Å; L467-Y505 HydrophobicContact CD1-CE1 4.39Å; C485-Y505 WeakPolarHBondContact CA-O 3.38Å; I486-Y505 HydrophobicContact CD1-CD1 4.31Å; I486-Y505 PolarHBondContact N-O 3.33Å; I486-Y505 PolarHBondContact O-N 3.25Å; Y505-M507 HydrophobicContact CD1-CE 4.32Å; Y505-M507 HydrophobicContact CD1-CG 4.46Å; Y505-M507 HydrophobicContact CD1-SD 3.32Å; Y505-M507 WeakPolarHBondContact CD1-SD 3.14Å; Y505-M507 HydrophobicContact CE1-CE 3.56Å; Y505-M507 HydrophobicContact CE1-CG 4.45Å; Y505-M507 HydrophobicContact CE1-SD 3.17Å; Y505-M507 WeakPolarHBondContact CE1-SD 3.37Å; Y505-N510 PolarHBondContact OH-OD1 3.34Å; Y505-T511 WeakPolarHBondContact CA-O 3.36Å; Y505-T511 WeakPolarHBondContact CD2-O 3.29Å; Y505-W512 AromaticContact CD2-CD1 3.78Å; Y505-W512 AromaticContact CD2-CD2 3.89Å; Y505-W512 HydrophobicContact CD2-CD2 3.89Å; Y505-W512 AromaticContact CD2-CE2 3.61Å; Y505-W512 HydrophobicContact CD2-CG 4Å; Y505-W512 HydrophobicContact CD2-CZ2 4.14Å; Y505-W512 AromaticContact CD2-NE1 3.53Å; Y505-W512 HydrophobicContact CG-CD2 4.23Å; Y505-W512 AromaticContact CG-CE2 3.93Å; Y505-W512 HydrophobicContact CG-CH2 4.4Å; Y505-W512 HydrophobicContact CG-CZ2 4.02Å
506	D	90.3	Very high	88.8	Confident	49 Å²	49	63.8 Å²	63.8	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.8	171	172.9	12.5	0	0	0	108.9	E508 S509 N510 T511	D506-E508 VanDerWaalsContact C-N 3.35Å; D506-E508 PolarHBondContact OD1-N 2.79Å; D506-S509 WeakPolarHBondContact CB-OG 3.28Å; D506-S509 WeakPolarHBondContact OD2-CB 3.43Å; D506-S509 PolarHBondContact OD2-OG 2.82Å; D506-N510 VanDerWaalsContact O-CA 3.31Å; D506-N510 WeakPolarHBondContact O-CA 3.41Å; D506-N510 PolarHBondContact O-N 2.84Å; D506-T511 PolarHBondContact N-O 2.67Å; D506-T511 PolarHBondContact O-N 3.11Å
507	M	83.8	Confident	89.3	Confident	31 Å²	31	58.6 Å²	58.6	15%	0.153	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.1	-177.7	-59.8	-60.5	-38.2	0	0	112.7	Y442 Y447 I486 Y505	Y442-M507 HydrophobicContact CD1-CB 4.37Å; Y442-M507 HydrophobicContact CD1-CG 3.75Å; Y442-M507 HydrophobicContact CD1-SD 4.48Å; Y442-M507 HydrophobicContact CE1-CB 3.89Å; Y442-M507 HydrophobicContact CE1-CG 3.68Å; Y447-M507 HydrophobicContact CD1-CE 4.13Å; Y447-M507 HydrophobicContact CD1-SD 4.46Å; Y447-M507 HydrophobicContact CE1-CE 3.22Å; Y447-M507 HydrophobicContact CE1-SD 4.06Å; Y447-M507 HydrophobicContact CE2-CE 4.21Å; Y447-M507 WeakPolarHBondContact OH-CE 3.46Å; I486-M507 HydrophobicContact CD1-SD 3.63Å; I486-M507 HydrophobicContact CG1-SD 4.12Å; Y505-M507 HydrophobicContact CD1-CE 4.32Å; Y505-M507 HydrophobicContact CD1-CG 4.46Å; Y505-M507 HydrophobicContact CD1-SD 3.32Å; Y505-M507 WeakPolarHBondContact CD1-SD 3.14Å; Y505-M507 HydrophobicContact CE1-CE 3.56Å; Y505-M507 HydrophobicContact CE1-CG 4.45Å; Y505-M507 HydrophobicContact CE1-SD 3.17Å; Y505-M507 WeakPolarHBondContact CE1-SD 3.37Å
508	E	84.6	Confident	89.5	Confident	153 Å²	153	53.8 Å²	53.8	72%	0.715	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-39.8	-175.9	-63	-172.4	171.3	0	0	110.9	D506	D506-E508 VanDerWaalsContact C-N 3.35Å; D506-E508 PolarHBondContact OD1-N 2.79Å
509	S	84.8	Confident	89.4	Confident	58 Å²	58	53.2 Å²	53.2	41%	0.406	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.2	175.7	63.2	0	0	0	0	114	D506 T511	D506-S509 WeakPolarHBondContact CB-OG 3.28Å; D506-S509 WeakPolarHBondContact OD2-CB 3.43Å; D506-S509 PolarHBondContact OD2-OG 2.82Å; S509-T511 VanDerWaalsContact C-N 3.26Å; S509-T511 WeakPolarHBondContact O-CG2 3.45Å; S509-T511 PolarHBondContact O-N 3.11Å; S509-T511 PolarHBondContact OG-OG1 3.36Å
510	N	85.3	Confident	89.1	Confident	80 Å²	80	53.6 Å²	53.6	43%	0.428	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	44.4	-172.4	-177	20.1	0	0	0	111.4	Y505 D506	Y505-N510 PolarHBondContact OH-OD1 3.34Å; D506-N510 VanDerWaalsContact O-CA 3.31Å; D506-N510 WeakPolarHBondContact O-CA 3.41Å; D506-N510 PolarHBondContact O-N 2.84Å
511	T	89.5	Confident	88.1	Confident	75 Å²	75	58.7 Å²	58.7	46%	0.46	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.6	-179.4	65.1	0	0	0	0	112.7	Y505 D506 S509	Y505-T511 WeakPolarHBondContact CA-O 3.36Å; Y505-T511 WeakPolarHBondContact CD2-O 3.29Å; D506-T511 PolarHBondContact N-O 2.67Å; D506-T511 PolarHBondContact O-N 3.11Å; S509-T511 VanDerWaalsContact C-N 3.26Å; S509-T511 WeakPolarHBondContact O-CG2 3.45Å; S509-T511 PolarHBondContact O-N 3.11Å; S509-T511 PolarHBondContact OG-OG1 3.36Å
512	W	92.1	Very high	86.9	Confident	45 Å²	45	65.1 Å²	65.1	17%	0.17	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.1	171.5	-71.4	94.3	0	0	0	110.2	L449 F454 A468 P469 M470 E503 Y505	L449-W512 HydrophobicContact CD2-CH2 3.86Å; L449-W512 HydrophobicContact CD2-CZ2 4.26Å; F454-W512 AromaticContact CD1-CZ2 3.8Å; F454-W512 HydrophobicContact CD1-CZ2 3.8Å; F454-W512 AromaticContact CE1-CZ2 3.69Å; F454-W512 HydrophobicContact CE1-CZ2 3.69Å; F454-W512 HydrophobicContact CG-CZ2 4.38Å; F454-W512 HydrophobicContact CZ-CZ2 4.21Å; A468-W512 PolarHBondContact O-NE1 2.92Å; P469-W512 PolarHBondContact O-NE1 3.22Å; M470-W512 HydrophobicContact CB-CZ2 4.37Å; M470-W512 HydrophobicContact CG-CD2 4.42Å; M470-W512 HydrophobicContact CG-CH2 3.64Å; M470-W512 HydrophobicContact CG-CZ2 3.33Å; M470-W512 HydrophobicContact CG-CZ3 4.31Å; E503-W512 HydrophobicContact CB-CE3 3.71Å; E503-W512 HydrophobicContact CB-CZ3 3.98Å; Y505-W512 AromaticContact CD2-CD1 3.78Å; Y505-W512 AromaticContact CD2-CD2 3.89Å; Y505-W512 HydrophobicContact CD2-CD2 3.89Å; Y505-W512 AromaticContact CD2-CE2 3.61Å; Y505-W512 HydrophobicContact CD2-CG 4Å; Y505-W512 HydrophobicContact CD2-CZ2 4.14Å; Y505-W512 AromaticContact CD2-NE1 3.53Å; Y505-W512 HydrophobicContact CG-CD2 4.23Å; Y505-W512 AromaticContact CG-CE2 3.93Å; Y505-W512 HydrophobicContact CG-CH2 4.4Å; Y505-W512 HydrophobicContact CG-CZ2 4.02Å
513	S	92.3	Very high	85.2	Confident	54 Å²	54	69.9 Å²	69.9	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.7	174.1	64.8	0	0	0	0	110.3	E503 V504	E503-S513 CarbonylContact C-O 3.5Å; E503-S513 WeakPolarHBondContact CA-O 3.37Å; V504-S513 PolarHBondContact N-O 2.89Å; V504-S513 PolarHBondContact O-N 3.41Å; V504-S513 PolarHBondContact O-OG 3.31Å
514	R	92.5	Very high	83.9	Confident	167 Å²	167	71.6 Å²	71.6	63%	0.63	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.2	178.1	-170.6	173.2	178.6	-175	-0.2	110.6	D517	R514-D517 IonicContact CZ-OD1 2.84Å; R514-D517 IonicContact CZ-OD2 2.76Å; R514-D517 IonicContact NE-OD1 3.59Å; R514-D517 PolarHBondContact NE-OD1 3.06Å; R514-D517 IonicContact NE-OD2 2.72Å; R514-D517 IonicContact NH2-OD1 2.77Å; R514-D517 PolarHBondContact NH2-OD1 3.34Å; R514-D517 IonicContact NH2-OD2 3.37Å; R514-D517 PolarHBondContact NH2-OD2 2.91Å
515	K	92.8	Very high	82.7	Confident	71 Å²	71	74.8 Å²	74.8	31%	0.309	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	178.1	172.8	-69.8	-62.6	-171	170.6	0	110.9	V502 V504 D517	V502-K515 HydrophobicContact CB-CB 4.28Å; V502-K515 HydrophobicContact CG1-CB 4.03Å; V502-K515 PolarHBondContact O-N 2.83Å; V504-K515 HydrophobicContact CB-CG 4.35Å; V504-K515 HydrophobicContact CG2-CB 4.32Å; V504-K515 HydrophobicContact CG2-CG 3.41Å; V504-K515 VanDerWaalsContact CG2-CG 3.41Å; K515-D517 PolarHBondContact O-N 3.46Å
516	R	90.4	Very high	82.2	Confident	119 Å²	119	74.8 Å²	74.8	45%	0.449	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-59.5	125	178	-173.4	161.3	-68.6	137.5	-7.5	111.3	V502 A568 D569 W571	V502-R516 WeakPolarHBondContact CG2-O 3.33Å; R516-A568 PolarHBondContact NH1-O 3.33Å; R516-D569 WeakPolarHBondContact CB-O 3.19Å; R516-D569 WeakPolarHBondContact CD-O 3.28Å; R516-D569 VanDerWaalsContact CZ-O 3.27Å; R516-D569 PolarHBondContact N-OD1 2.93Å; R516-D569 VanDerWaalsContact N-OD1 3.11Å; R516-D569 PolarHBondContact N-OD2 2.66Å; R516-D569 VanDerWaalsContact N-OD2 3.11Å; R516-D569 PolarHBondContact NE-O 3.37Å; R516-D569 PolarHBondContact NH1-O 3.08Å; R516-W571 PolarHBondContact O-NE1 3.01Å
517	D	90.4	Very high	81.8	Confident	56 Å²	56	75.3 Å²	75.3	30%	0.299	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62	158.5	175.6	-63.7	-12.5	0	0	0	110.9	T501 R514 K515	T501-D517 WeakPolarHBondContact CA-OD1 3.38Å; R514-D517 IonicContact CZ-OD1 2.84Å; R514-D517 IonicContact CZ-OD2 2.76Å; R514-D517 IonicContact NE-OD1 3.59Å; R514-D517 PolarHBondContact NE-OD1 3.06Å; R514-D517 IonicContact NE-OD2 2.72Å; R514-D517 IonicContact NH2-OD1 2.77Å; R514-D517 PolarHBondContact NH2-OD1 3.34Å; R514-D517 IonicContact NH2-OD2 3.37Å; R514-D517 PolarHBondContact NH2-OD2 2.91Å; K515-D517 PolarHBondContact O-N 3.46Å
518	L	87.2	Confident	82	Confident	9 Å²	9	75 Å²	75	5%	0.047	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-66.2	148.4	-179.9	-50.9	-177.7	0	0	0	111.3	I489 A490 F500 V502 F520 I528 L539 W571	I489-L518 HydrophobicContact CG2-CD1 3.88Å; I489-L518 HydrophobicContact CG2-CD2 4.06Å; I489-L518 HydrophobicContact CG2-CG 4.27Å; A490-L518 HydrophobicContact CB-CD1 4.22Å; F500-L518 HydrophobicContact CB-CB 4.08Å; F500-L518 HydrophobicContact CB-CD1 4.49Å; F500-L518 HydrophobicContact CB-CG 4.36Å; F500-L518 HydrophobicContact CD1-CD1 4.29Å; F500-L518 PolarHBondContact O-N 3.01Å; V502-L518 HydrophobicContact CG2-CD2 3.87Å; V502-L518 HydrophobicContact CG2-CG 4.33Å; L518-F520 HydrophobicContact CB-CD2 3.55Å; L518-F520 HydrophobicContact CB-CE2 3.91Å; L518-F520 HydrophobicContact CD1-CD2 4.12Å; L518-F520 HydrophobicContact CD1-CE2 4.19Å; L518-F520 HydrophobicContact CG-CD2 4.48Å; L518-F520 PolarHBondContact O-N 3.34Å; L518-I528 HydrophobicContact CD1-CD1 3.87Å; L518-L539 HydrophobicContact CD1-CD1 3.96Å; L518-L539 HydrophobicContact CD2-CD1 3.27Å; L518-L539 HydrophobicContact CG-CD1 4.23Å; L518-W571 HydrophobicContact CD2-CD2 4.04Å; L518-W571 VanDerWaalsContact CD2-CE2 3.47Å; L518-W571 HydrophobicContact CD2-CG 4.39Å; L518-W571 HydrophobicContact CD2-CH2 4.46Å; L518-W571 HydrophobicContact CD2-CZ2 3.72Å
519	P	82.5	Confident	82.2	Confident	74 Å²	74	69.5 Å²	69.5	48%	0.481	37%	0.368	S	S	.	.	S	Bend	trans	-78.6	50.1	-178.1	35.2	-37.8	0	0	0	111.8	Y562 W571	P519-Y562 HydrophobicContact CG-CD1 4.16Å; P519-Y562 HydrophobicContact CG-CE1 3.82Å; P519-W571 HydrophobicContact CG-CB 4.09Å
520	F	80.3	Confident	82.5	Confident	28 Å²	28	67.8 Å²	67.8	12%	0.123	36%	0.357	C	S	.	.			trans	-127.9	132.6	-179.8	-55.9	-60	0	0	0	111	F500 L518 P526 V541 Y562	F500-F520 HydrophobicContact CD1-CB 4.5Å; F500-F520 HydrophobicContact CD2-CB 4.25Å; F500-F520 WeakPolarHBondContact CD2-O 3.11Å; F500-F520 HydrophobicContact CE1-CB 4.45Å; F500-F520 HydrophobicContact CE2-CB 4.19Å; F500-F520 HydrophobicContact CG-CB 4.41Å; F500-F520 HydrophobicContact CZ-CB 4.29Å; L518-F520 HydrophobicContact CB-CD2 3.55Å; L518-F520 HydrophobicContact CB-CE2 3.91Å; L518-F520 HydrophobicContact CD1-CD2 4.12Å; L518-F520 HydrophobicContact CD1-CE2 4.19Å; L518-F520 HydrophobicContact CG-CD2 4.48Å; L518-F520 PolarHBondContact O-N 3.34Å; F520-P526 HydrophobicContact CD2-CG 4.42Å; F520-P526 HydrophobicContact CG-CG 4.24Å; F520-V541 HydrophobicContact CE1-CG1 4.03Å; F520-V541 HydrophobicContact CE2-CG1 4.41Å; F520-V541 HydrophobicContact CE2-CG2 4.15Å; F520-V541 HydrophobicContact CZ-CB 4.31Å; F520-V541 HydrophobicContact CZ-CG1 3.73Å; F520-V541 HydrophobicContact CZ-CG2 3.76Å; F520-Y562 HydrophobicContact CE1-CE2 4.13Å; F520-Y562 AromaticContact CE1-CZ 3.91Å; F520-Y562 HydrophobicContact CZ-CD2 4.22Å; F520-Y562 HydrophobicContact CZ-CE1 4.35Å; F520-Y562 AromaticContact CZ-CE2 3.75Å; F520-Y562 HydrophobicContact CZ-CE2 3.75Å; F520-Y562 AromaticContact CZ-CZ 3.82Å
521	D	68.7	Low	82.8	Confident	126 Å²	126	64.5 Å²	64.5	67%	0.674	34%	0.34	S	S	*	.			trans	-77.5	151.3	171.8	-63.8	-32.3	0	0	0	111.2	A523 T524	D521-A523 PolarHBondContact O-N 2.95Å; D521-A523 VanDerWaalsContact O-N 3.08Å; D521-T524 WeakPolarHBondContact O-CB 3.39Å; D521-T524 PolarHBondContact O-N 2.83Å; D521-T524 PolarHBondContact O-OG1 3.03Å
522	Q	64.8	Low	82.9	Confident	150 Å²	150	64.3 Å²	64.3	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.6	175.8	-68.1	-175.4	-2.2	0	0	113.9	T524	Q522-T524 VanDerWaalsContact C-N 3.29Å
523	A	57.4	Low	82.8	Confident	99 Å²	99	62.3 Å²	62.3	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-25.6	176.2	0	0	0	0	0	112.8	D521	D521-A523 PolarHBondContact O-N 2.95Å; D521-A523 VanDerWaalsContact O-N 3.08Å
524	T	66.4	Low	82.5	Confident	50 Å²	50	65.7 Å²	65.7	31%	0.307	34%	0.338	S	S	.	.			trans	-82.4	130.4	177.1	-33	0	0	0	0	108.1	D521 Q522 P526	D521-T524 WeakPolarHBondContact O-CB 3.39Å; D521-T524 PolarHBondContact O-N 2.83Å; D521-T524 PolarHBondContact O-OG1 3.03Å; Q522-T524 VanDerWaalsContact C-N 3.29Å; T524-P526 WeakPolarHBondContact O-CD 2.98Å
525	S	69.3	Low	82.2	Confident	72 Å²	72	60.5 Å²	60.5	50%	0.503	34%	0.337	S	S	.	.			trans	-103.9	63.9	173	-72.8	0	0	0	0	111.4
526	P	80.4	Confident	82.1	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.026	34%	0.342	C	S	.	.			trans	-69.9	153.8	177.9	32.5	-34.4	0	0	0	110.2	R498 F500 F520 T524 I528 V541 R542 A543	R498-P526 PolarHBondContact NH1-O 3.28Å; F500-P526 HydrophobicContact CE1-CG 4.02Å; F500-P526 HydrophobicContact CZ-CG 4.15Å; F520-P526 HydrophobicContact CD2-CG 4.42Å; F520-P526 HydrophobicContact CG-CG 4.24Å; T524-P526 WeakPolarHBondContact O-CD 2.98Å; P526-I528 HydrophobicContact CB-CG2 4.09Å; P526-I528 HydrophobicContact CG-CG2 4.25Å; P526-V541 HydrophobicContact CB-CG1 3.85Å; P526-R542 WeakPolarHBondContact CA-O 3.38Å; P526-A543 HydrophobicContact CB-CB 4.47Å
527	Y	83	Confident	82.3	Confident	61 Å²	61	56 Å²	56	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.1	165.9	-64.9	-92.3	0	0	0	106.9	R542 R586	Y527-R542 PolarHBondContact N-O 2.82Å; Y527-R542 PolarHBondContact O-N 3.21Å; Y527-R586 WeakPolarHBondContact CD1-O 3.35Å; Y527-R586 HydrophobicContact CE1-CB 3.83Å; Y527-R586 HydrophobicContact CE1-CG 4.23Å; Y527-R586 WeakPolarHBondContact CE1-O 3.4Å; Y527-R586 HydrophobicContact CE2-CB 4.44Å; Y527-R586 HydrophobicContact CE2-CG 4.04Å; Y527-R586 WeakPolarHBondContact OH-CD 3.18Å; Y527-R586 WeakPolarHBondContact OH-CG 3.08Å
528	I	87.3	Confident	82.4	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.4	-168.7	54.5	171	0	0	0	111	L478 A490 L518 P526 F540 V541	L478-I528 HydrophobicContact CD1-CB 4.22Å; L478-I528 HydrophobicContact CD1-CD1 3.95Å; L478-I528 HydrophobicContact CD1-CG1 3.8Å; A490-I528 HydrophobicContact CB-CD1 3.39Å; L518-I528 HydrophobicContact CD1-CD1 3.87Å; P526-I528 HydrophobicContact CB-CG2 4.09Å; P526-I528 HydrophobicContact CG-CG2 4.25Å; I528-F540 CarbonylContact C-O 3.46Å; I528-F540 WeakPolarHBondContact CA-O 3.36Å; I528-V541 HydrophobicContact CG2-CB 4.35Å; I528-V541 HydrophobicContact CG2-CG1 4.08Å; I528-V541 HydrophobicContact CG2-CG2 3.93Å
529	K	89.4	Confident	82.6	Confident	37 Å²	37	53.2 Å²	53.2	16%	0.161	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.2	171.9	-65.5	-62.6	174.6	-179.6	0	110.3	L478 M531 L539 F540 F588 E589 C590	L478-K529 HydrophobicContact CD2-CD 4.12Å; K529-M531 HydrophobicContact CB-CE 4.31Å; K529-L539 CarbonylContact O-C 3.54Å; K529-L539 WeakPolarHBondContact O-CA 3.49Å; K529-F540 PolarHBondContact N-O 3.34Å; K529-F540 PolarHBondContact O-N 3.05Å; K529-F588 HydrophobicContact CB-CE2 4.36Å; K529-F588 WeakPolarHBondContact CE-O 3.5Å; K529-F588 HydrophobicContact CG-CD2 4.09Å; K529-F588 HydrophobicContact CG-CE2 3.58Å; K529-F588 HydrophobicContact CG-CZ 4.3Å; K529-E589 WeakPolarHBondContact CD-OE2 3.32Å; K529-E589 WeakPolarHBondContact CE-OE2 3.16Å; K529-E589 IonicContact NZ-OE1 3.41Å; K529-E589 PolarHBondContact NZ-OE1 2.79Å; K529-E589 IonicContact NZ-OE2 2.69Å; K529-E589 PolarHBondContact NZ-OE2 3.02Å; K529-C590 HydrophobicContact CB-CB 3.99Å; K529-C590 HydrophobicContact CG-CB 4.29Å
530	A	90.8	Very high	82.9	Confident	21 Å²	21	49.8 Å²	49.8	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.5	176	0	0	0	0	0	109.6	L478 A480 I489 H538 L539	L478-A530 HydrophobicContact CB-CB 3.91Å; L478-A530 HydrophobicContact CD1-CB 4.16Å; A480-A530 HydrophobicContact CB-CB 4.37Å; I489-A530 HydrophobicContact CD1-CB 4.08Å; A530-H538 WeakPolarHBondContact CA-O 3.19Å; A530-L539 HydrophobicContact CB-CD2 3.79Å
531	M	92	Very high	83.2	Confident	12 Å²	12	48.6 Å²	48.6	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.4	179	62.9	-163.4	66.6	0	0	110.7	V291 K529 H538 F540 C590 V592	V291-M531 HydrophobicContact CB-SD 4.4Å; V291-M531 HydrophobicContact CG1-CE 4.03Å; V291-M531 HydrophobicContact CG1-SD 3.66Å; V291-M531 HydrophobicContact CG2-SD 3.83Å; K529-M531 HydrophobicContact CB-CE 4.31Å; M531-H538 HydrophobicContact CG-CB 4.11Å; M531-H538 PolarHBondContact N-O 3.41Å; M531-H538 PolarHBondContact O-N 3.26Å; M531-F540 HydrophobicContact CE-CB 3.33Å; M531-F540 HydrophobicContact CE-CG 4.26Å; M531-F540 HydrophobicContact SD-CB 4.36Å; M531-C590 HydrophobicContact CE-CB 3.26Å; M531-V592 HydrophobicContact CB-CG2 3.83Å; M531-V592 HydrophobicContact CG-CG2 3.91Å; M531-V592 HydrophobicContact SD-CG2 3.72Å
532	L	91.4	Very high	83.9	Confident	71 Å²	71	43 Å²	43	37%	0.372	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.3	167.3	-71	136.4	0	0	0	107.7	L481 Y482 K536 V592	L481-L532 WeakPolarHBondContact O-CD1 3.35Å; L481-L532 WeakPolarHBondContact O-CD2 3.48Å; Y482-L532 HydrophobicContact CD2-CD2 3.88Å; L532-K536 WeakPolarHBondContact CA-O 2.98Å; L532-V592 WeakPolarHBondContact O-CB 3.45Å; L532-V592 WeakPolarHBondContact O-CG2 3.35Å
533	L	89.6	Confident	84.6	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.8	176.5	178.1	74.1	0	0	0	106.8	E289 V291 T312 G535 K536 H538 L561 V592	E289-L533 HydrophobicContact CG-CD1 3.81Å; V291-L533 HydrophobicContact CG2-CD1 4.43Å; V291-L533 HydrophobicContact CG2-CD2 4.45Å; T312-L533 HydrophobicContact CG2-CD2 3.8Å; L533-G535 PolarHBondContact O-N 3.18Å; L533-K536 PolarHBondContact N-O 3.33Å; L533-K536 PolarHBondContact O-N 3.4Å; L533-K536 VanDerWaalsContact O-O 3.13Å; L533-H538 PolarHBondContact O-CE1 3Å; L533-H538 VanDerWaalsContact O-CE1 3.29Å; L533-H538 PolarHBondContact O-ND1 3.13Å; L533-L561 HydrophobicContact CD2-CD2 3.92Å; L533-V592 HydrophobicContact CB-CG2 4.49Å; L533-V592 HydrophobicContact CD1-CG1 3.78Å; L533-V592 HydrophobicContact CD1-CG2 4.36Å
534	Q	86.1	Confident	85.4	Confident	126 Å²	126	35.5 Å²	35.5	59%	0.589	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	36.7	-177.1	-59.5	176.6	-8.2	0	0	113.1	E289 K536	E289-Q534 PolarHBondContact OE1-N 3.4Å; E289-Q534 WeakPolarHBondContact OE2-CA 3.15Å; E289-Q534 WeakPolarHBondContact OE2-CG 3.34Å; E289-Q534 PolarHBondContact OE2-N 3.25Å; Q534-K536 PolarHBondContact O-N 2.99Å
535	G	86.6	Confident	85.4	Confident	58 Å²	58	37 Å²	37	60%	0.598	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	6.6	-178.7	0	0	0	0	0	115.3	Y482 L533	Y482-G535 WeakPolarHBondContact CE2-O 3.16Å; L533-G535 PolarHBondContact O-N 3.18Å
536	K	91.1	Very high	85.3	Confident	96 Å²	96	37.7 Å²	37.7	42%	0.417	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.3	176.6	-65.4	-175.5	-178.4	-177.4	0	111.4	L532 L533 Q534 H538 Q563	L532-K536 WeakPolarHBondContact CA-O 2.98Å; L533-K536 PolarHBondContact N-O 3.33Å; L533-K536 PolarHBondContact O-N 3.4Å; L533-K536 VanDerWaalsContact O-O 3.13Å; Q534-K536 PolarHBondContact O-N 2.99Å; K536-H538 PolarHBondContact O-N 2.98Å; K536-H538 PolarHBondContact O-ND1 3.01Å; K536-Q563 HydrophobicContact CB-CG 4.47Å; K536-Q563 HydrophobicContact CD-CG 4.34Å
537	L	93.2	Very high	84.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.8	176.9	179	66.7	0	0	0	110.4	A480 Y482 Y487 I489 Y564 W571	A480-L537 HydrophobicContact CB-CD1 3.81Å; Y482-L537 HydrophobicContact CD1-CB 4.23Å; Y482-L537 HydrophobicContact CD2-CB 4.08Å; Y482-L537 HydrophobicContact CE2-CB 4.42Å; Y482-L537 HydrophobicContact CG-CB 3.98Å; Y487-L537 HydrophobicContact CD1-CD2 3.69Å; Y487-L537 HydrophobicContact CE1-CD2 4.13Å; Y487-L537 HydrophobicContact CG-CD2 4.04Å; I489-L537 HydrophobicContact CD1-CD1 4.38Å; I489-L537 HydrophobicContact CD1-CD2 4.09Å; L537-Y564 HydrophobicContact CD2-CD1 4.22Å; L537-Y564 HydrophobicContact CD2-CG 4.36Å; L537-Y564 PolarHBondContact O-N 2.71Å; L537-W571 HydrophobicContact CD2-CH2 3.92Å; L537-W571 HydrophobicContact CD2-CZ2 4.45Å; L537-W571 HydrophobicContact CG-CH2 4.1Å
538	H	92.4	Very high	83.4	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.3	179.5	-70.1	82.4	0	0	0	111.7	A530 M531 L533 K536 L561 Y562	A530-H538 WeakPolarHBondContact CA-O 3.19Å; M531-H538 HydrophobicContact CG-CB 4.11Å; M531-H538 PolarHBondContact N-O 3.41Å; M531-H538 PolarHBondContact O-N 3.26Å; L533-H538 PolarHBondContact O-CE1 3Å; L533-H538 VanDerWaalsContact O-CE1 3.29Å; L533-H538 PolarHBondContact O-ND1 3.13Å; K536-H538 PolarHBondContact O-N 2.98Å; K536-H538 PolarHBondContact O-ND1 3.01Å; H538-L561 HydrophobicContact CB-CD1 4.03Å; H538-L561 HydrophobicContact CB-CG 4.46Å; H538-Y562 CarbonylContact C-O 3.58Å; H538-Y562 WeakPolarHBondContact CA-O 3.35Å
539	L	91.1	Very high	82	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	171.5	-72.3	170.7	0	0	0	110.1	L478 I489 L518 K529 A530 V541 L561 Y562 W571	L478-L539 HydrophobicContact CD1-CD2 4.29Å; I489-L539 HydrophobicContact CD1-CD2 4.39Å; I489-L539 HydrophobicContact CG2-CD1 4.46Å; I489-L539 HydrophobicContact CG2-CD2 4.22Å; L518-L539 HydrophobicContact CD1-CD1 3.96Å; L518-L539 HydrophobicContact CD2-CD1 3.27Å; L518-L539 HydrophobicContact CG-CD1 4.23Å; K529-L539 CarbonylContact O-C 3.54Å; K529-L539 WeakPolarHBondContact O-CA 3.49Å; A530-L539 HydrophobicContact CB-CD2 3.79Å; L539-V541 HydrophobicContact CB-CG2 4.17Å; L539-L561 WeakPolarHBondContact O-CA 3.4Å; L539-Y562 PolarHBondContact N-O 3.29Å; L539-Y562 PolarHBondContact O-N 3.03Å; L539-W571 HydrophobicContact CB-CZ3 4.08Å; L539-W571 HydrophobicContact CD1-CD2 4.1Å; L539-W571 HydrophobicContact CD1-CE3 3.7Å; L539-W571 HydrophobicContact CD1-CH2 3.31Å; L539-W571 HydrophobicContact CD1-CZ2 3.75Å; L539-W571 HydrophobicContact CD1-CZ3 3.29Å; L539-W571 HydrophobicContact CD2-CH2 4.47Å; L539-W571 HydrophobicContact CG-CE3 4.22Å; L539-W571 HydrophobicContact CG-CH2 3.55Å; L539-W571 HydrophobicContact CG-CZ2 4.44Å; L539-W571 HydrophobicContact CG-CZ3 3.42Å; L539-W571 VanDerWaalsContact CG-CZ3 3.42Å
540	F	89	Confident	80.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.4	168.9	-169.9	-82.5	0	0	0	109.3	V291 I528 K529 M531 N559 L561 L584 F588	V291-F540 HydrophobicContact CG1-CD2 4.26Å; I528-F540 CarbonylContact C-O 3.46Å; I528-F540 WeakPolarHBondContact CA-O 3.36Å; K529-F540 PolarHBondContact N-O 3.34Å; K529-F540 PolarHBondContact O-N 3.05Å; M531-F540 HydrophobicContact CE-CB 3.33Å; M531-F540 HydrophobicContact CE-CG 4.26Å; M531-F540 HydrophobicContact SD-CB 4.36Å; F540-N559 HydrophobicContact CE1-CB 4.05Å; F540-N559 HydrophobicContact CE2-CB 4.4Å; F540-N559 HydrophobicContact CZ-CB 3.64Å; F540-L561 HydrophobicContact CB-CD1 4.31Å; F540-L561 HydrophobicContact CD2-CD1 4.25Å; F540-L584 HydrophobicContact CE1-CD1 3.38Å; F540-L584 HydrophobicContact CZ-CD1 3.68Å; F540-F588 AromaticContact CD1-CE2 3.67Å; F540-F588 HydrophobicContact CD1-CE2 3.67Å; F540-F588 AromaticContact CD1-CZ 3.96Å; F540-F588 HydrophobicContact CD1-CZ 3.96Å; F540-F588 HydrophobicContact CE1-CE2 4.01Å; F540-F588 HydrophobicContact CE1-CZ 4.2Å
541	V	87.4	Confident	79.3	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.1	-167.8	-179	0	0	0	0	109	F520 P526 I528 L539 N559 S560 Y562	F520-V541 HydrophobicContact CE1-CG1 4.03Å; F520-V541 HydrophobicContact CE2-CG1 4.41Å; F520-V541 HydrophobicContact CE2-CG2 4.15Å; F520-V541 HydrophobicContact CZ-CB 4.31Å; F520-V541 HydrophobicContact CZ-CG1 3.73Å; F520-V541 HydrophobicContact CZ-CG2 3.76Å; P526-V541 HydrophobicContact CB-CG1 3.85Å; I528-V541 HydrophobicContact CG2-CB 4.35Å; I528-V541 HydrophobicContact CG2-CG1 4.08Å; I528-V541 HydrophobicContact CG2-CG2 3.93Å; L539-V541 HydrophobicContact CB-CG2 4.17Å; V541-N559 CarbonylContact O-C 3.59Å; V541-N559 VanDerWaalsContact O-CA 3.32Å; V541-N559 WeakPolarHBondContact O-CA 3.12Å; V541-S560 PolarHBondContact N-O 3.43Å; V541-S560 PolarHBondContact O-N 3.2Å; V541-Y562 HydrophobicContact CB-CD2 4.19Å; V541-Y562 HydrophobicContact CB-CE2 4.13Å; V541-Y562 HydrophobicContact CG1-CE2 4.49Å; V541-Y562 HydrophobicContact CG2-CD2 3.61Å; V541-Y562 HydrophobicContact CG2-CE2 3.94Å
542	R	83.6	Confident	77.7	Confident	10 Å²	10	63.5 Å²	63.5	4%	0.038	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.3	168.1	-174.1	-170.1	86.7	117.1	9.5	109.2	P526 Y527 K558 N559 L584 G585 F588	P526-R542 WeakPolarHBondContact CA-O 3.38Å; Y527-R542 PolarHBondContact N-O 2.82Å; Y527-R542 PolarHBondContact O-N 3.21Å; R542-K558 WeakPolarHBondContact CA-O 3.43Å; R542-N559 WeakPolarHBondContact CG-OD1 3.34Å; R542-L584 WeakPolarHBondContact CD-O 3.14Å; R542-L584 PolarHBondContact NH1-O 3.29Å; R542-G585 PolarHBondContact NE-O 3.23Å; R542-G585 VanDerWaalsContact NE-O 3.13Å; R542-G585 PolarHBondContact NH1-O 3.37Å; R542-F588 HydrophobicContact CB-CE1 3.71Å; R542-F588 HydrophobicContact CB-CZ 3.99Å; R542-F588 HydrophobicContact CG-CE1 4.49Å
543	A	78.8	Confident	76.2	Confident	25 Å²	25	67.6 Å²	67.6	21%	0.207	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.3	177.3	0	0	0	0	0	111	P526 K558	P526-A543 HydrophobicContact CB-CB 4.47Å; A543-K558 PolarHBondContact N-O 2.82Å; A543-K558 PolarHBondContact O-N 2.83Å
544	T	73.8	Confident	74.8	Confident	66 Å²	66	74.4 Å²	74.4	41%	0.405	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.8	167.5	-54.3	0	0	0	0	107	S556	T544-S556 CarbonylContact C-O 3.52Å
545	Q	67.7	Low	73.7	Confident	82 Å²	82	73 Å²	73	38%	0.383	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.8	175	-170.7	174.2	13.3	0	0	108.2	M547 T555 S556	Q545-M547 HydrophobicContact CG-CG 4.2Å; Q545-T555 CarbonylContact O-C 3.55Å; Q545-T555 WeakPolarHBondContact O-CA 3Å; Q545-S556 PolarHBondContact N-O 2.98Å; Q545-S556 PolarHBondContact O-N 2.87Å
546	V	66	Low	72.8	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.515	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.3	172.4	-171.6	0	0	0	0	106.9	F553 T555	V546-F553 HydrophobicContact CG1-CB 4.42Å; V546-F553 HydrophobicContact CG1-CD1 3.86Å; V546-T555 HydrophobicContact CG1-CG2 4.48Å; V546-T555 HydrophobicContact CG2-CG2 4.15Å
547	M	61.3	Low	71.9	Confident	74 Å²	74	71.9 Å²	71.9	37%	0.365	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.5	170.4	-58.1	-148.3	-53.7	0	0	108.9	Q545 R554	Q545-M547 HydrophobicContact CG-CG 4.2Å; M547-R554 PolarHBondContact N-O 2.84Å; M547-R554 PolarHBondContact O-N 2.81Å
548	V	62.6	Low	71.1	Confident	93 Å²	93	73.9 Å²	73.9	56%	0.564	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	102.9	172.5	-176.9	0	0	0	0	106.8	F553	V548-F553 HydrophobicContact CG2-CD1 3.76Å; V548-F553 HydrophobicContact CG2-CE1 3.77Å
549	E	58.6	Low	70.6	Confident	85 Å²	85	73.9 Å²	73.9	40%	0.397	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.6	171.2	-74.7	177.8	167.6	0	0	107.3	H551 V552 R554	E549-H551 VanDerWaalsContact C-N 3.29Å; E549-H551 PolarHBondContact O-N 3.35Å; E549-H551 VanDerWaalsContact O-N 3.16Å; E549-V552 PolarHBondContact N-O 2.81Å; E549-V552 WeakPolarHBondContact O-CA 3.31Å; E549-V552 WeakPolarHBondContact O-CB 3.4Å; E549-V552 PolarHBondContact O-N 3.13Å; E549-R554 WeakPolarHBondContact OE2-CD 2.94Å; E549-R554 IonicContact OE2-CZ 3.86Å; E549-R554 VanDerWaalsContact OE2-CZ 3.31Å; E549-R554 IonicContact OE2-NE 3.11Å; E549-R554 IonicContact OE2-NH1 2.88Å; E549-R554 PolarHBondContact OE2-NH1 2.83Å
550	E	64.1	Low	70.4	Confident	182 Å²	182	74.3 Å²	74.3	85%	0.85	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.2	175	-57.1	-176.3	158.4	0	0	114.7	V552	E550-V552 PolarHBondContact O-N 2.76Å
551	H	59.1	Low	70.4	Confident	185 Å²	185	74.4 Å²	74.4	86%	0.856	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	13.3	-175.8	-53.4	77.5	0	0	0	115.1	E549	E549-H551 VanDerWaalsContact C-N 3.29Å; E549-H551 PolarHBondContact O-N 3.35Å; E549-H551 VanDerWaalsContact O-N 3.16Å
552	V	58.4	Low	70.5	Confident	84 Å²	84	75.8 Å²	75.8	51%	0.509	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	172.3	-176.6	0	0	0	0	109.4	E549 E550 R554	E549-V552 PolarHBondContact N-O 2.81Å; E549-V552 WeakPolarHBondContact O-CA 3.31Å; E549-V552 WeakPolarHBondContact O-CB 3.4Å; E549-V552 PolarHBondContact O-N 3.13Å; E550-V552 PolarHBondContact O-N 2.76Å; V552-R554 HydrophobicContact CG1-CG 4.48Å; V552-R554 PolarHBondContact O-N 2.8Å
553	F	60.2	Low	70.9	Confident	156 Å²	156	77.3 Å²	77.3	68%	0.684	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	109.5	171.5	-65.4	-83.4	0	0	0	109.7	V546 V548	V546-F553 HydrophobicContact CG1-CB 4.42Å; V546-F553 HydrophobicContact CG1-CD1 3.86Å; V548-F553 HydrophobicContact CG2-CD1 3.76Å; V548-F553 HydrophobicContact CG2-CE1 3.77Å
554	R	59.9	Low	71.6	Confident	145 Å²	145	76.2 Å²	76.2	55%	0.547	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.2	170.5	-70.9	-175.6	175.3	-176.9	-1.9	109.3	M547 E549 V552	M547-R554 PolarHBondContact N-O 2.84Å; M547-R554 PolarHBondContact O-N 2.81Å; E549-R554 WeakPolarHBondContact OE2-CD 2.94Å; E549-R554 IonicContact OE2-CZ 3.86Å; E549-R554 VanDerWaalsContact OE2-CZ 3.31Å; E549-R554 IonicContact OE2-NE 3.11Å; E549-R554 IonicContact OE2-NH1 2.88Å; E549-R554 PolarHBondContact OE2-NH1 2.83Å; V552-R554 HydrophobicContact CG1-CG 4.48Å; V552-R554 PolarHBondContact O-N 2.8Å
555	T	63.6	Low	72.4	Confident	97 Å²	97	75.8 Å²	75.8	60%	0.595	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.8	172.8	61.4	0	0	0	0	109.8	Q545 V546	Q545-T555 CarbonylContact O-C 3.55Å; Q545-T555 WeakPolarHBondContact O-CA 3Å; V546-T555 HydrophobicContact CG1-CG2 4.48Å; V546-T555 HydrophobicContact CG2-CG2 4.15Å
556	S	66.1	Low	73.3	Confident	27 Å²	27	74.3 Å²	74.3	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.7	168.5	67.4	0	0	0	0	110	T544 Q545	T544-S556 CarbonylContact C-O 3.52Å; Q545-S556 PolarHBondContact N-O 2.98Å; Q545-S556 PolarHBondContact O-N 2.87Å
557	R	73.1	Confident	74.4	Confident	104 Å²	104	78.9 Å²	78.9	39%	0.392	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.1	173	-64.8	176.7	-172.6	175.4	6.2	107.2	H298 D583	H298-R557 PolarHBondContact CD2-NH1 3.47Å; H298-R557 VanDerWaalsContact CD2-NH1 3.33Å; H298-R557 PolarHBondContact NE2-NH1 2.91Å; H298-R557 PolarHBondContact NE2-NH2 3.38Å; R557-D583 WeakPolarHBondContact CD-OD1 2.91Å; R557-D583 IonicContact CZ-OD1 3.66Å; R557-D583 IonicContact CZ-OD2 3.29Å; R557-D583 IonicContact NE-OD1 3.31Å; R557-D583 IonicContact NH1-OD1 3.11Å; R557-D583 PolarHBondContact NH1-OD1 2.82Å; R557-D583 IonicContact NH1-OD2 2.66Å; R557-D583 PolarHBondContact NH1-OD2 2.93Å
558	K	76.6	Confident	75.7	Confident	42 Å²	42	77.7 Å²	77.7	18%	0.183	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.2	-179.2	-69.6	-168	169.5	-169.5	0	110.7	R542 A543 E576 D579	R542-K558 WeakPolarHBondContact CA-O 3.43Å; A543-K558 PolarHBondContact N-O 2.82Å; A543-K558 PolarHBondContact O-N 2.83Å; K558-E576 HydrophobicContact CD-CG 4.42Å; K558-E576 WeakPolarHBondContact CD-OE1 3.25Å; K558-E576 IonicContact NZ-OE1 2.69Å; K558-E576 PolarHBondContact NZ-OE1 3.33Å; K558-D579 WeakPolarHBondContact CE-OD1 3.34Å
559	N	82.3	Confident	77.1	Confident	5 Å²	5	75 Å²	75	3%	0.027	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.6	171.3	-42.3	-69.3	0	0	0	108.1	F540 V541 R542 T577 W582	F540-N559 HydrophobicContact CE1-CB 4.05Å; F540-N559 HydrophobicContact CE2-CB 4.4Å; F540-N559 HydrophobicContact CZ-CB 3.64Å; V541-N559 CarbonylContact O-C 3.59Å; V541-N559 VanDerWaalsContact O-CA 3.32Å; V541-N559 WeakPolarHBondContact O-CA 3.12Å; R542-N559 WeakPolarHBondContact CG-OD1 3.34Å; N559-T577 HydrophobicContact CB-CG2 3.93Å; N559-T577 WeakPolarHBondContact CB-OG1 3.25Å; N559-T577 PolarHBondContact N-OG1 3.41Å; N559-T577 PolarHBondContact ND2-OG1 3.41Å; N559-T577 PolarHBondContact O-N 2.93Å; N559-T577 PolarHBondContact O-OG1 2.81Å; N559-T577 VanDerWaalsContact O-OG1 3.13Å; N559-W582 PolarHBondContact ND2-NE1 3.31Å
560	S	86.1	Confident	78.6	Confident	9 Å²	9	73 Å²	73	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.9	179.8	-53.6	0	0	0	0	109.7	V541 K573 Y575 E576	V541-S560 PolarHBondContact N-O 3.43Å; V541-S560 PolarHBondContact O-N 3.2Å; S560-K573 WeakPolarHBondContact OG-CE 3.4Å; S560-K573 PolarHBondContact OG-NZ 3.33Å; S560-Y575 CarbonylContact C-O 3.57Å; S560-Y575 VanDerWaalsContact CA-O 3.29Å; S560-Y575 WeakPolarHBondContact CA-O 3.48Å; S560-E576 PolarHBondContact OG-OE2 2.91Å
561	L	88.8	Confident	79.9	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125	172.1	-167.4	69.4	0	0	0	108.5	T312 L533 H538 L539 F540 V574 Y575	T312-L561 HydrophobicContact CG2-CD2 4.03Å; L533-L561 HydrophobicContact CD2-CD2 3.92Å; H538-L561 HydrophobicContact CB-CD1 4.03Å; H538-L561 HydrophobicContact CB-CG 4.46Å; L539-L561 WeakPolarHBondContact O-CA 3.4Å; F540-L561 HydrophobicContact CB-CD1 4.31Å; F540-L561 HydrophobicContact CD2-CD1 4.25Å; L561-V574 HydrophobicContact CB-CG2 4.17Å; L561-V574 HydrophobicContact CG-CG2 4.07Å; L561-V574 HydrophobicContact CD2-CG2 4.12Å; L561-V574 PolarHBondContact O-N 2.83Å; L561-V574 VanDerWaalsContact O-CG2 3.28Å; L561-V574 WeakPolarHBondContact O-CG2 3.46Å; L561-Y575 PolarHBondContact N-O 2.97Å; L561-Y575 PolarHBondContact O-N 3.2Å
562	Y	90.7	Very high	81.4	Confident	32 Å²	32	59.4 Å²	59.4	13%	0.125	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.6	173	-71	-106.2	0	0	0	109.3	P519 F520 H538 L539 V541 T572 K573	P519-Y562 HydrophobicContact CG-CD1 4.16Å; P519-Y562 HydrophobicContact CG-CE1 3.82Å; F520-Y562 HydrophobicContact CE1-CE2 4.13Å; F520-Y562 AromaticContact CE1-CZ 3.91Å; F520-Y562 HydrophobicContact CZ-CD2 4.22Å; F520-Y562 HydrophobicContact CZ-CE1 4.35Å; F520-Y562 AromaticContact CZ-CE2 3.75Å; F520-Y562 HydrophobicContact CZ-CE2 3.75Å; F520-Y562 AromaticContact CZ-CZ 3.82Å; H538-Y562 CarbonylContact C-O 3.58Å; H538-Y562 WeakPolarHBondContact CA-O 3.35Å; L539-Y562 PolarHBondContact N-O 3.29Å; L539-Y562 PolarHBondContact O-N 3.03Å; V541-Y562 HydrophobicContact CB-CD2 4.19Å; V541-Y562 HydrophobicContact CB-CE2 4.13Å; V541-Y562 HydrophobicContact CG1-CE2 4.49Å; V541-Y562 HydrophobicContact CG2-CD2 3.61Å; V541-Y562 HydrophobicContact CG2-CE2 3.94Å; Y562-T572 CarbonylContact C-O 3.52Å; Y562-T572 WeakPolarHBondContact CA-O 3.43Å; Y562-K573 WeakPolarHBondContact OH-CE 3.34Å; Y562-K573 HydrophobicContact CE2-CG 4.49Å; Y562-K573 HydrophobicContact CE1-CB 3.89Å; Y562-K573 HydrophobicContact CD1-CB 4.12Å
563	Q	92.1	Very high	82.9	Confident	42 Å²	42	60.2 Å²	60.2	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.1	173.6	-173.7	-173.8	-66.5	0	0	109	K536 T572 V574	K536-Q563 HydrophobicContact CB-CG 4.47Å; K536-Q563 HydrophobicContact CD-CG 4.34Å; Q563-T572 PolarHBondContact N-O 2.83Å; Q563-T572 PolarHBondContact O-N 3.02Å; Q563-T572 PolarHBondContact O-OG1 2.89Å; Q563-V574 HydrophobicContact CB-CG1 3.78Å; Q563-V574 HydrophobicContact CB-CG2 3.94Å
564	Y	92.6	Very high	84.2	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.3	170.4	-173.3	-118.2	0	0	0	110	Y482 Y487 L537 D566 D569 W571	Y482-Y564 HydrophobicContact CE1-CD1 4.22Å; Y487-Y564 HydrophobicContact CE1-CD1 4.34Å; Y487-Y564 AromaticContact CE1-CE1 3.79Å; Y487-Y564 HydrophobicContact CE1-CE1 3.79Å; L537-Y564 HydrophobicContact CD2-CD1 4.22Å; L537-Y564 HydrophobicContact CD2-CG 4.36Å; L537-Y564 PolarHBondContact O-N 2.71Å; Y564-D566 HydrophobicContact CD1-CB 4.42Å; Y564-D566 HydrophobicContact CE1-CB 4.07Å; Y564-D569 WeakPolarHBondContact CE2-OD1 3.16Å; Y564-D569 PolarHBondContact OH-OD1 2.93Å; Y564-W571 AromaticContact CD2-CD2 3.88Å; Y564-W571 HydrophobicContact CG-CZ3 4.44Å; Y564-W571 HydrophobicContact CG-CZ2 4.09Å; Y564-W571 HydrophobicContact CG-CH2 4.19Å; Y564-W571 HydrophobicContact CE2-CZ2 4.49Å; Y564-W571 AromaticContact CD2-NE1 3.73Å; Y564-W571 HydrophobicContact CD2-CZ2 3.73Å; Y564-W571 AromaticContact CD2-CZ2 3.73Å; Y564-W571 HydrophobicContact CD2-CH2 4.25Å; Y564-W571 HydrophobicContact CD2-CG 4.34Å; Y564-W571 HydrophobicContact CD2-CE3 4.36Å; Y564-W571 AromaticContact CD2-CE2 3.51Å; Y564-W571 HydrophobicContact CD2-CD2 3.88Å
565	D	90.3	Very high	85.3	Confident	58 Å²	58	51.7 Å²	51.7	31%	0.31	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.1	168.3	-177.2	-15.3	0	0	0	108.2	E567 A568 D569 T570	D565-E567 PolarHBondContact OD1-N 3.29Å; D565-A568 HydrophobicContact CB-CB 4.38Å; D565-A568 PolarHBondContact OD1-N 2.94Å; D565-D569 CarbonylContact O-C 3.54Å; D565-D569 PolarHBondContact O-N 3.35Å; D565-D569 WeakPolarHBondContact O-CA 3.42Å; D565-T570 PolarHBondContact N-O 3.17Å; D565-T570 PolarHBondContact O-N 3.37Å
566	D	87.7	Confident	86.2	Confident	51 Å²	51	50.4 Å²	50.4	27%	0.273	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.4	-177.4	59.2	-97.2	0	0	0	114.3	Y482 K483 Y564	Y482-D566 HydrophobicContact CE1-CB 4.17Å; Y482-D566 PolarHBondContact OH-OD1 3.35Å; K483-D566 IonicContact NZ-OD1 3.31Å; K483-D566 PolarHBondContact NZ-OD1 2.81Å; K483-D566 VanDerWaalsContact NZ-OD1 3.09Å; K483-D566 IonicContact NZ-OD2 3.93Å; K483-D566 PolarHBondContact NZ-OD2 2.94Å; Y564-D566 HydrophobicContact CD1-CB 4.42Å; Y564-D566 HydrophobicContact CE1-CB 4.07Å
567	E	88.4	Confident	86.4	Confident	181 Å²	181	49.5 Å²	49.5	85%	0.846	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-43.6	178	-65.4	-173.7	176.6	0	0	110.2	D565	D565-E567 PolarHBondContact OD1-N 3.29Å
568	A	88.7	Confident	86.1	Confident	48 Å²	48	47.9 Å²	47.9	40%	0.397	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.2	178.3	0	0	0	0	0	113.7	R516 D565 T570	R516-A568 PolarHBondContact NH1-O 3.33Å; D565-A568 HydrophobicContact CB-CB 4.38Å; D565-A568 PolarHBondContact OD1-N 2.94Å; A568-T570 HydrophobicContact CB-CG2 4Å; A568-T570 PolarHBondContact O-N 3.32Å
569	D	91.1	Very high	85.3	Confident	38 Å²	38	50.6 Å²	50.6	20%	0.203	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	41.3	-167.6	-172.6	25.9	0	0	0	111.4	R516 Y564 D565	R516-D569 WeakPolarHBondContact CB-O 3.19Å; R516-D569 WeakPolarHBondContact CD-O 3.28Å; R516-D569 VanDerWaalsContact CZ-O 3.27Å; R516-D569 PolarHBondContact N-OD1 2.93Å; R516-D569 VanDerWaalsContact N-OD1 3.11Å; R516-D569 PolarHBondContact N-OD2 2.66Å; R516-D569 VanDerWaalsContact N-OD2 3.11Å; R516-D569 PolarHBondContact NE-O 3.37Å; R516-D569 PolarHBondContact NH1-O 3.08Å; Y564-D569 WeakPolarHBondContact CE2-OD1 3.16Å; Y564-D569 PolarHBondContact OH-OD1 2.93Å; D565-D569 CarbonylContact O-C 3.54Å; D565-D569 PolarHBondContact O-N 3.35Å; D565-D569 WeakPolarHBondContact O-CA 3.42Å
570	T	91.4	Very high	84.1	Confident	42 Å²	42	62 Å²	62	26%	0.258	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.6	-176.3	59.1	0	0	0	0	112.7	D565 A568	D565-T570 PolarHBondContact N-O 3.17Å; D565-T570 PolarHBondContact O-N 3.37Å; A568-T570 HydrophobicContact CB-CG2 4Å; A568-T570 PolarHBondContact O-N 3.32Å
571	W	90.8	Very high	82.5	Confident	22 Å²	22	63.7 Å²	63.7	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.8	167.8	-69.1	95.4	0	0	0	109.7	I489 V502 R516 L518 P519 L537 L539 Y564	I489-W571 HydrophobicContact CD1-CH2 4.4Å; V502-W571 HydrophobicContact CG2-CZ2 4.46Å; R516-W571 PolarHBondContact O-NE1 3.01Å; L518-W571 HydrophobicContact CD2-CD2 4.04Å; L518-W571 VanDerWaalsContact CD2-CE2 3.47Å; L518-W571 HydrophobicContact CD2-CG 4.39Å; L518-W571 HydrophobicContact CD2-CH2 4.46Å; L518-W571 HydrophobicContact CD2-CZ2 3.72Å; P519-W571 HydrophobicContact CG-CB 4.09Å; L537-W571 HydrophobicContact CD2-CH2 3.92Å; L537-W571 HydrophobicContact CD2-CZ2 4.45Å; L537-W571 HydrophobicContact CG-CH2 4.1Å; L539-W571 HydrophobicContact CB-CZ3 4.08Å; L539-W571 HydrophobicContact CD1-CD2 4.1Å; L539-W571 HydrophobicContact CD1-CE3 3.7Å; L539-W571 HydrophobicContact CD1-CH2 3.31Å; L539-W571 HydrophobicContact CD1-CZ2 3.75Å; L539-W571 HydrophobicContact CD1-CZ3 3.29Å; L539-W571 HydrophobicContact CD2-CH2 4.47Å; L539-W571 HydrophobicContact CG-CE3 4.22Å; L539-W571 HydrophobicContact CG-CH2 3.55Å; L539-W571 HydrophobicContact CG-CZ2 4.44Å; L539-W571 HydrophobicContact CG-CZ3 3.42Å; L539-W571 VanDerWaalsContact CG-CZ3 3.42Å; Y564-W571 AromaticContact CD2-CD2 3.88Å; Y564-W571 HydrophobicContact CG-CZ3 4.44Å; Y564-W571 HydrophobicContact CG-CZ2 4.09Å; Y564-W571 HydrophobicContact CG-CH2 4.19Å; Y564-W571 HydrophobicContact CE2-CZ2 4.49Å; Y564-W571 AromaticContact CD2-NE1 3.73Å; Y564-W571 HydrophobicContact CD2-CZ2 3.73Å; Y564-W571 AromaticContact CD2-CZ2 3.73Å; Y564-W571 HydrophobicContact CD2-CH2 4.25Å; Y564-W571 HydrophobicContact CD2-CG 4.34Å; Y564-W571 HydrophobicContact CD2-CE3 4.36Å; Y564-W571 AromaticContact CD2-CE2 3.51Å; Y564-W571 HydrophobicContact CD2-CD2 3.88Å
572	T	90.5	Very high	81.4	Confident	60 Å²	60	64.8 Å²	64.8	37%	0.368	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.6	178.4	57.5	0	0	0	0	110.4	Y562 Q563 V574	Y562-T572 CarbonylContact C-O 3.52Å; Y562-T572 WeakPolarHBondContact CA-O 3.43Å; Q563-T572 PolarHBondContact N-O 2.83Å; Q563-T572 PolarHBondContact O-N 3.02Å; Q563-T572 PolarHBondContact O-OG1 2.89Å; T572-V574 PolarHBondContact O-N 3.01Å
573	K	89.2	Confident	80	Confident	100 Å²	100	66.8 Å²	66.8	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.6	173.8	-176.9	-177.1	-78.7	-170.7	0	108.4	S560 Y562 E576	S560-K573 WeakPolarHBondContact OG-CE 3.4Å; S560-K573 PolarHBondContact OG-NZ 3.33Å; Y562-K573 WeakPolarHBondContact OH-CE 3.34Å; Y562-K573 HydrophobicContact CE2-CG 4.49Å; Y562-K573 HydrophobicContact CE1-CB 3.89Å; Y562-K573 HydrophobicContact CD1-CB 4.12Å; K573-E576 IonicContact NZ-OE2 2.69Å; K573-E576 PolarHBondContact NZ-OE2 3.3Å
574	V	87.8	Confident	78.9	Confident	70 Å²	70	64.8 Å²	64.8	42%	0.424	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-26.2	-176.9	-79.1	0	0	0	0	113.2	L561 Q563 T572	L561-V574 HydrophobicContact CB-CG2 4.17Å; L561-V574 HydrophobicContact CG-CG2 4.07Å; L561-V574 HydrophobicContact CD2-CG2 4.12Å; L561-V574 PolarHBondContact O-N 2.83Å; L561-V574 VanDerWaalsContact O-CG2 3.28Å; L561-V574 WeakPolarHBondContact O-CG2 3.46Å; Q563-V574 HydrophobicContact CB-CG1 3.78Å; Q563-V574 HydrophobicContact CB-CG2 3.94Å; T572-V574 PolarHBondContact O-N 3.01Å
575	Y	83.8	Confident	77.6	Confident	53 Å²	53	65 Å²	65	21%	0.208	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	146.5	-180	-177.1	-96.5	0	0	0	111.4	L310 S560 L561 T577	L310-Y575 HydrophobicContact CD1-CE1 4.08Å; L310-Y575 HydrophobicContact CD2-CD1 3.97Å; L310-Y575 HydrophobicContact CD2-CE1 3.65Å; S560-Y575 CarbonylContact C-O 3.57Å; S560-Y575 VanDerWaalsContact CA-O 3.29Å; S560-Y575 WeakPolarHBondContact CA-O 3.48Å; L561-Y575 PolarHBondContact N-O 2.97Å; L561-Y575 PolarHBondContact O-N 3.2Å; Y575-T577 HydrophobicContact CD1-CG2 4.48Å; Y575-T577 HydrophobicContact CE1-CG2 3.69Å
576	E	81.9	Confident	76.6	Confident	70 Å²	70	69.3 Å²	69.3	33%	0.327	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.8	171.2	-175.3	164.3	108.8	0	0	108.6	K558 S560 K573	K558-E576 HydrophobicContact CD-CG 4.42Å; K558-E576 WeakPolarHBondContact CD-OE1 3.25Å; K558-E576 IonicContact NZ-OE1 2.69Å; K558-E576 PolarHBondContact NZ-OE1 3.33Å; S560-E576 PolarHBondContact OG-OE2 2.91Å; K573-E576 IonicContact NZ-OE2 2.69Å; K573-E576 PolarHBondContact NZ-OE2 3.3Å
577	T	71.4	Confident	75.8	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.043	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-66.8	139	179.3	54.5	0	0	0	0	110.2	N559 Y575 W582	N559-T577 HydrophobicContact CB-CG2 3.93Å; N559-T577 WeakPolarHBondContact CB-OG1 3.25Å; N559-T577 PolarHBondContact N-OG1 3.41Å; N559-T577 PolarHBondContact ND2-OG1 3.41Å; N559-T577 PolarHBondContact O-N 2.93Å; N559-T577 PolarHBondContact O-OG1 2.81Å; N559-T577 VanDerWaalsContact O-OG1 3.13Å; Y575-T577 HydrophobicContact CD1-CG2 4.48Å; Y575-T577 HydrophobicContact CE1-CG2 3.69Å; T577-W582 HydrophobicContact CG2-CZ2 3.71Å
578	P	67	Low	75.4	Confident	71 Å²	71	63.1 Å²	63.1	46%	0.461	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-56.3	150.3	168.8	-20.6	30	0	0	0	111.9	R580 L581	P578-R580 PolarHBondContact O-N 3.27Å; P578-L581 HydrophobicContact CB-CD1 3.75Å; P578-L581 HydrophobicContact CG-CD1 3.8Å; P578-L581 PolarHBondContact O-N 3.35Å
579	D	58.8	Low	75.2	Confident	99 Å²	99	63.5 Å²	63.5	53%	0.529	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	135.4	-179.5	-73.4	-30	0	0	0	111.1	K558 L581	K558-D579 WeakPolarHBondContact CE-OD1 3.34Å; D579-L581 PolarHBondContact O-N 3.13Å
580	R	56.5	Low	75.1	Confident	243 Å²	243	62.3 Å²	62.3	92%	0.917	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	3.9	175.4	-49.2	176.1	177.3	-177.9	-0.8	117.7	P578 W582	P578-R580 PolarHBondContact O-N 3.27Å; R580-W582 VanDerWaalsContact C-N 3.31Å; R580-W582 PolarHBondContact O-N 2.89Å
581	L	53.1	Low	75.1	Confident	46 Å²	46	61.4 Å²	61.4	24%	0.241	29%	0.29	C	S	.	.	S	Bend	trans	-63.7	-34	-176.7	-125.3	108.1	0	0	0	113.8	V317 P578 D579 L604	V317-L581 HydrophobicContact CB-CD2 3.8Å; V317-L581 HydrophobicContact CG1-CD2 4.33Å; V317-L581 HydrophobicContact CG2-CD2 3.27Å; P578-L581 HydrophobicContact CB-CD1 3.75Å; P578-L581 HydrophobicContact CG-CD1 3.8Å; P578-L581 PolarHBondContact O-N 3.35Å; D579-L581 PolarHBondContact O-N 3.13Å; L581-L604 HydrophobicContact CD1-CD1 4.23Å; L581-L604 HydrophobicContact CG-CD1 3.93Å; L581-L604 HydrophobicContact CD2-CD1 4.36Å
582	W	65.2	Low	75.1	Confident	26 Å²	26	61.4 Å²	61.4	10%	0.098	29%	0.293	C	S	.	.			trans	-157.9	143.5	165.2	46.5	57.1	0	0	0	110.5	P308 L310 V317 N559 T577 R580	P308-W582 HydrophobicContact CB-CD2 3.93Å; P308-W582 HydrophobicContact CB-CE3 3.22Å; P308-W582 HydrophobicContact CB-CG 4.48Å; P308-W582 HydrophobicContact CB-CZ3 3.61Å; P308-W582 HydrophobicContact CG-CB 4.41Å; P308-W582 HydrophobicContact CG-CD2 4.21Å; P308-W582 HydrophobicContact CG-CE3 3.99Å; P308-W582 HydrophobicContact CG-CG 4.37Å; L310-W582 HydrophobicContact CB-CH2 3.51Å; L310-W582 HydrophobicContact CB-CZ2 4.15Å; L310-W582 HydrophobicContact CB-CZ3 4.49Å; L310-W582 HydrophobicContact CD1-CH2 3.73Å; L310-W582 HydrophobicContact CD1-CZ2 4.3Å; L310-W582 HydrophobicContact CD2-CH2 4.33Å; L310-W582 HydrophobicContact CD2-CZ2 4.28Å; L310-W582 HydrophobicContact CG-CH2 4.01Å; L310-W582 HydrophobicContact CG-CZ2 4.45Å; V317-W582 HydrophobicContact CB-CE3 4.31Å; V317-W582 HydrophobicContact CB-CH2 4.42Å; V317-W582 HydrophobicContact CB-CZ3 3.7Å; V317-W582 HydrophobicContact CG1-CE3 3.48Å; V317-W582 VanDerWaalsContact CG1-CE3 3.48Å; V317-W582 HydrophobicContact CG1-CH2 4.33Å; V317-W582 HydrophobicContact CG1-CZ3 3.21Å; V317-W582 HydrophobicContact CG2-CE3 3.93Å; V317-W582 HydrophobicContact CG2-CH2 3.39Å; V317-W582 HydrophobicContact CG2-CZ2 4.47Å; V317-W582 HydrophobicContact CG2-CZ3 3.12Å; N559-W582 PolarHBondContact ND2-NE1 3.31Å; T577-W582 HydrophobicContact CG2-CZ2 3.71Å; R580-W582 VanDerWaalsContact C-N 3.31Å; R580-W582 PolarHBondContact O-N 2.89Å
583	D	61.4	Low	75.2	Confident	74 Å²	74	58.7 Å²	58.7	40%	0.396	28%	0.276	S	S	.	.			trans	-102.7	87.6	174.2	-173.4	16.2	0	0	0	109	H298 R557	H298-D583 IonicContact CD2-OD2 2.78Å; H298-D583 PolarHBondContact CD2-OD2 2.78Å; H298-D583 IonicContact NE2-OD2 3.92Å; R557-D583 WeakPolarHBondContact CD-OD1 2.91Å; R557-D583 IonicContact CZ-OD1 3.66Å; R557-D583 IonicContact CZ-OD2 3.29Å; R557-D583 IonicContact NE-OD1 3.31Å; R557-D583 IonicContact NH1-OD1 3.11Å; R557-D583 PolarHBondContact NH1-OD1 2.82Å; R557-D583 IonicContact NH1-OD2 2.66Å; R557-D583 PolarHBondContact NH1-OD2 2.93Å
584	L	69.3	Low	75.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.271	C	S	.	.			trans	-64.7	137.8	174.8	-62.7	176.5	0	0	0	109.1	C293 A296 P308 F540 R542 F588	C293-L584 HydrophobicContact CB-CD1 4.47Å; C293-L584 HydrophobicContact CB-CD2 3.72Å; A296-L584 HydrophobicContact CB-CD2 3.4Å; P308-L584 HydrophobicContact CG-CD2 4.07Å; F540-L584 HydrophobicContact CE1-CD1 3.38Å; F540-L584 HydrophobicContact CZ-CD1 3.68Å; R542-L584 WeakPolarHBondContact CD-O 3.14Å; R542-L584 PolarHBondContact NH1-O 3.29Å; L584-F588 HydrophobicContact CB-CD1 4.22Å; L584-F588 HydrophobicContact CB-CG 4.49Å; L584-F588 HydrophobicContact CD1-CD2 4.44Å; L584-F588 HydrophobicContact CD1-CG 4.44Å
585	G	66.4	Low	75.2	Confident	4 Å²	4	54 Å²	54	4%	0.041	25%	0.251	C	S	.	.			trans	-68	-173.3	176.5	0	0	0	0	0	113.6	R542 H587	R542-G585 PolarHBondContact NE-O 3.23Å; R542-G585 VanDerWaalsContact NE-O 3.13Å; R542-G585 PolarHBondContact NH1-O 3.37Å; G585-H587 VanDerWaalsContact C-N 3.31Å
586	R	67.9	Low	75.3	Confident	149 Å²	149	52.2 Å²	52.2	56%	0.562	24%	0.243	S	C	*	.	S	Bend	trans	-74.2	-23.3	171.8	-72	-172.6	-89.4	-171.7	-4.5	113	Y527	Y527-R586 WeakPolarHBondContact CD1-O 3.35Å; Y527-R586 HydrophobicContact CE1-CB 3.83Å; Y527-R586 HydrophobicContact CE1-CG 4.23Å; Y527-R586 WeakPolarHBondContact CE1-O 3.4Å; Y527-R586 HydrophobicContact CE2-CB 4.44Å; Y527-R586 HydrophobicContact CE2-CG 4.04Å; Y527-R586 WeakPolarHBondContact OH-CD 3.18Å; Y527-R586 WeakPolarHBondContact OH-CG 3.08Å
587	H	71	Confident	75.4	Confident	97 Å²	97	50.1 Å²	50.1	45%	0.449	24%	0.236	S	C	.	.	S	Bend	trans	-119.2	96.1	179.6	-53.4	-75.9	0	0	0	106.3	D295 K299 G585	D295-H587 WeakPolarHBondContact CB-O 3.18Å; D295-H587 VanDerWaalsContact O-O 3.05Å; K299-H587 PolarHBondContact NZ-CD2 2.98Å; K299-H587 PolarHBondContact NZ-NE2 3.42Å; G585-H587 VanDerWaalsContact C-N 3.31Å
588	F	80.1	Confident	75.8	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.022	27%	0.265	C	S	.	.			trans	-126.5	153.2	169.9	67.5	-90.9	0	0	0	107.5	F294 K529 F540 R542 L584 C590	F294-F588 VanDerWaalsContact O-CA 3.3Å; F294-F588 WeakPolarHBondContact O-CA 3.5Å; F294-F588 WeakPolarHBondContact O-CB 3.44Å; K529-F588 HydrophobicContact CB-CE2 4.36Å; K529-F588 WeakPolarHBondContact CE-O 3.5Å; K529-F588 HydrophobicContact CG-CD2 4.09Å; K529-F588 HydrophobicContact CG-CE2 3.58Å; K529-F588 HydrophobicContact CG-CZ 4.3Å; F540-F588 AromaticContact CD1-CE2 3.67Å; F540-F588 HydrophobicContact CD1-CE2 3.67Å; F540-F588 AromaticContact CD1-CZ 3.96Å; F540-F588 HydrophobicContact CD1-CZ 3.96Å; F540-F588 HydrophobicContact CE1-CE2 4.01Å; F540-F588 HydrophobicContact CE1-CZ 4.2Å; R542-F588 HydrophobicContact CB-CE1 3.71Å; R542-F588 HydrophobicContact CB-CZ 3.99Å; R542-F588 HydrophobicContact CG-CE1 4.49Å; L584-F588 HydrophobicContact CB-CD1 4.22Å; L584-F588 HydrophobicContact CB-CG 4.49Å; L584-F588 HydrophobicContact CD1-CD2 4.44Å; L584-F588 HydrophobicContact CD1-CG 4.44Å; F588-C590 WeakPolarHBondContact CD2-SG 3.29Å; F588-C590 WeakPolarHBondContact CE2-SG 3.44Å
589	E	84.2	Confident	76.5	Confident	57 Å²	57	54.5 Å²	54.5	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.9	168	-70	-64.5	158.9	0	0	108	C293 F294 I332 K529	C293-E589 CarbonylContact C-O 3.56Å; C293-E589 WeakPolarHBondContact CA-O 3.44Å; F294-E589 PolarHBondContact N-O 2.76Å; F294-E589 PolarHBondContact O-N 2.85Å; I332-E589 HydrophobicContact CD1-CB 3.6Å; I332-E589 HydrophobicContact CD1-CG 4.34Å; K529-E589 WeakPolarHBondContact CD-OE2 3.32Å; K529-E589 WeakPolarHBondContact CE-OE2 3.16Å; K529-E589 IonicContact NZ-OE1 3.41Å; K529-E589 PolarHBondContact NZ-OE1 2.79Å; K529-E589 IonicContact NZ-OE2 2.69Å; K529-E589 PolarHBondContact NZ-OE2 3.02Å
590	C	88.6	Confident	77.7	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.081	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.7	178.5	-67.4	0	0	0	0	109.8	V291 I292 K529 M531 F588	V291-C590 HydrophobicContact CG1-CB 4.32Å; I292-C590 VanDerWaalsContact O-CA 3.28Å; I292-C590 WeakPolarHBondContact O-CA 3.45Å; K529-C590 HydrophobicContact CB-CB 3.99Å; K529-C590 HydrophobicContact CG-CB 4.29Å; M531-C590 HydrophobicContact CE-CB 3.26Å; F588-C590 WeakPolarHBondContact CD2-SG 3.29Å; F588-C590 WeakPolarHBondContact CE2-SG 3.44Å
591	V	91.5	Very high	78.8	Confident	23 Å²	23	45.1 Å²	45.1	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.6	171.1	-57.7	0	0	0	0	109.7	I292 F294 I332 V334	I292-V591 HydrophobicContact CB-CG2 3.91Å; I292-V591 HydrophobicContact CD1-CG2 4.24Å; I292-V591 HydrophobicContact CG1-CG2 4.46Å; I292-V591 PolarHBondContact N-O 3.4Å; I292-V591 PolarHBondContact O-N 2.89Å; F294-V591 HydrophobicContact CD2-CG2 4.31Å; F294-V591 HydrophobicContact CE2-CG2 3.82Å; I332-V591 HydrophobicContact CB-CG1 3.98Å; I332-V591 HydrophobicContact CG2-CB 4.37Å; I332-V591 HydrophobicContact CG2-CG1 3.53Å; I332-V591 HydrophobicContact CG2-CG2 4.02Å; V334-V591 HydrophobicContact CG2-CB 3.92Å; V334-V591 HydrophobicContact CG2-CG2 3.91Å
592	V	92.4	Very high	79.6	Confident	22 Å²	22	50.5 Å²	50.5	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.7	177.2	177.9	0	0	0	0	107.9	E289 M290 V291 M531 L532 L533	E289-V592 HydrophobicContact CG-CG1 3.38Å; E289-V592 WeakPolarHBondContact OE1-CG1 3.43Å; M290-V592 WeakPolarHBondContact O-CA 3.39Å; V291-V592 HydrophobicContact CG2-CG2 4.28Å; M531-V592 HydrophobicContact CB-CG2 3.83Å; M531-V592 HydrophobicContact CG-CG2 3.91Å; M531-V592 HydrophobicContact SD-CG2 3.72Å; L532-V592 WeakPolarHBondContact O-CB 3.45Å; L532-V592 WeakPolarHBondContact O-CG2 3.35Å; L533-V592 HydrophobicContact CB-CG2 4.49Å; L533-V592 HydrophobicContact CD1-CG1 3.78Å; L533-V592 HydrophobicContact CD1-CG2 4.36Å
593	A	91.9	Very high	79.5	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.4	175.4	0	0	0	0	0	109.9	M290 I292 V334 I340 L595	M290-A593 PolarHBondContact N-O 3.46Å; M290-A593 PolarHBondContact O-N 3.44Å; I292-A593 HydrophobicContact CD1-CB 3.9Å; V334-A593 HydrophobicContact CG1-CB 3.88Å; V334-A593 HydrophobicContact CG2-CB 4.09Å; I340-A593 HydrophobicContact CD1-CB 3.67Å; I340-A593 HydrophobicContact CG1-CB 3.98Å; A593-L595 PolarHBondContact O-N 2.72Å
594	K	88.9	Confident	79	Confident	72 Å²	72	55.8 Å²	55.8	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.8	169.3	-60.6	-173.6	-176	-171.5	0	108.5	E207 A287 S288 N338	E207-K594 IonicContact OE1-NZ 3.83Å; E207-K594 PolarHBondContact OE1-NZ 2.84Å; E207-K594 IonicContact OE2-NZ 3.52Å; E207-K594 PolarHBondContact OE2-NZ 2.8Å; A287-K594 HydrophobicContact CB-CB 4.37Å; S288-K594 WeakPolarHBondContact O-CA 3.33Å; N338-K594 PolarHBondContact ND2-O 3.46Å; N338-K594 PolarHBondContact OD1-N 3.25Å
595	L	87.9	Confident	79.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.9	177.9	-64.2	-179.2	0	0	0	110.6	A287 S288 M290 I292 C309 L320 I340 Y366 A593 P597 L600	A287-L595 WeakPolarHBondContact CA-O 3.41Å; S288-L595 PolarHBondContact N-O 2.8Å; S288-L595 PolarHBondContact O-N 2.83Å; M290-L595 HydrophobicContact CB-CD1 4.25Å; M290-L595 HydrophobicContact CE-CB 4.43Å; M290-L595 HydrophobicContact CG-CB 4.4Å; M290-L595 HydrophobicContact SD-CB 3.99Å; M290-L595 HydrophobicContact SD-CD1 4.17Å; I292-L595 HydrophobicContact CD1-CD1 3.73Å; I292-L595 HydrophobicContact CD1-CD2 4.19Å; I292-L595 HydrophobicContact CD1-CG 4.15Å; I292-L595 HydrophobicContact CG1-CD1 3.86Å; C309-L595 HydrophobicContact CB-CD1 4.04Å; L320-L595 HydrophobicContact CD1-CD1 4.04Å; L320-L595 HydrophobicContact CD1-CD2 4.2Å; I340-L595 HydrophobicContact CD1-CD2 3.89Å; Y366-L595 HydrophobicContact CE1-CD2 4.04Å; A593-L595 PolarHBondContact O-N 2.72Å; L595-P597 WeakPolarHBondContact O-CD 3.42Å; L595-L600 HydrophobicContact CB-CD1 4Å; L595-L600 HydrophobicContact CD1-CD1 3.93Å
596	Y	86.4	Confident	80.1	Confident	14 Å²	14	61.4 Å²	61.4	6%	0.055	30%	0.295	C	S	.	.			trans	-96.1	108.6	178.5	-51.9	-84	0	0	0	109.4	N205 L283 A287 H368 Q598 C599	N205-Y596 PolarHBondContact ND2-OH 3.22Å; N205-Y596 PolarHBondContact OD1-OH 3.22Å; L283-Y596 HydrophobicContact CD1-CD1 3.82Å; L283-Y596 HydrophobicContact CD1-CE1 4.39Å; L283-Y596 HydrophobicContact CD1-CG 4.01Å; L283-Y596 HydrophobicContact CG-CD1 3.74Å; L283-Y596 HydrophobicContact CG-CE1 3.81Å; L283-Y596 HydrophobicContact CG-CG 4.26Å; L283-Y596 WeakPolarHBondContact O-CD1 3.49Å; L283-Y596 WeakPolarHBondContact O-CE1 3.44Å; A287-Y596 HydrophobicContact CB-CD1 3.92Å; A287-Y596 HydrophobicContact CB-CE1 3.7Å; H368-Y596 HydrophobicContact CB-CD2 3.72Å; H368-Y596 HydrophobicContact CB-CE2 3.59Å; H368-Y596 AromaticContact CD2-CE2 3.97Å; H368-Y596 AromaticContact CG-CE2 3.86Å; Y596-Q598 PolarHBondContact O-N 2.86Å; Y596-C599 PolarHBondContact O-N 3.23Å
597	P	83.7	Confident	80.8	Confident	26 Å²	26	56.6 Å²	56.6	17%	0.169	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.7	-178.9	-22.8	31.3	0	0	0	113.6	T286 M290 F318 L595 C599 L600	T286-P597 WeakPolarHBondContact O-CD 3.44Å; M290-P597 HydrophobicContact CE-CB 4.27Å; M290-P597 HydrophobicContact CE-CG 3.64Å; F318-P597 HydrophobicContact CE1-CB 3.84Å; F318-P597 HydrophobicContact CE2-CB 4.43Å; F318-P597 HydrophobicContact CZ-CB 3.74Å; F318-P597 HydrophobicContact CZ-CG 4.48Å; L595-P597 WeakPolarHBondContact O-CD 3.42Å; P597-C599 VanDerWaalsContact C-N 3.33Å; P597-L600 PolarHBondContact O-N 3.16Å
598	Q	80.8	Confident	81.4	Confident	139 Å²	139	54.2 Å²	54.2	65%	0.65	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.2	179.9	-59.9	-174	-2.9	0	0	112.9	Y596	Y596-Q598 PolarHBondContact O-N 2.86Å
599	C	81.7	Confident	81.5	Confident	32 Å²	32	57.3 Å²	57.3	22%	0.216	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.1	-179.9	-56.2	0	0	0	0	112.6	H368 N371 Y596 P597	H368-C599 VanDerWaalsContact O-CB 3.32Å; H368-C599 WeakPolarHBondContact O-CB 3.41Å; N371-C599 WeakPolarHBondContact CB-O 3.44Å; Y596-C599 PolarHBondContact O-N 3.23Å; P597-C599 VanDerWaalsContact C-N 3.33Å
600	L	83.1	Confident	81.3	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	29%	0.287	C	S	.	.	S	Bend	trans	-94.9	154.2	-175.5	-62.1	177.2	0	0	0	112.7	M290 F318 L320 L595 P597 K602	M290-L600 HydrophobicContact CE-CD1 4.39Å; M290-L600 HydrophobicContact SD-CD1 4Å; F318-L600 HydrophobicContact CB-CB 3.89Å; F318-L600 HydrophobicContact CB-CD1 3.59Å; F318-L600 HydrophobicContact CB-CG 4.4Å; F318-L600 HydrophobicContact CD1-CB 4.07Å; F318-L600 HydrophobicContact CD1-CD1 4.47Å; F318-L600 HydrophobicContact CG-CB 4.27Å; F318-L600 HydrophobicContact CG-CD1 3.99Å; L320-L600 HydrophobicContact CD1-CD2 4.48Å; L595-L600 HydrophobicContact CB-CD1 4Å; L595-L600 HydrophobicContact CD1-CD1 3.93Å; P597-L600 PolarHBondContact O-N 3.16Å; L600-K602 PolarHBondContact O-N 2.69Å
601	Q	78.9	Confident	80.8	Confident	130 Å²	130	60.5 Å²	60.5	61%	0.607	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.5	172	-68.8	-178.2	-6.8	0	0	109.8	K319	K319-Q601 HydrophobicContact CB-CB 4.13Å; K319-Q601 PolarHBondContact N-O 3.19Å; K319-Q601 PolarHBondContact O-N 2.99Å
602	K	71.4	Confident	79.9	Confident	158 Å²	158	63.4 Å²	63.4	69%	0.687	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.7	173.7	-68.7	180	-177.8	174.4	0	110.3	F318 L600	F318-K602 HydrophobicContact CD1-CG 4.07Å; F318-K602 HydrophobicContact CE1-CG 3.9Å; L600-K602 PolarHBondContact O-N 2.69Å
603	V	62.9	Low	78.9	Confident	46 Å²	46	66.8 Å²	66.8	28%	0.279	33%	0.329	S	S	.	.			trans	-99.1	-45	177.2	-170.6	0	0	0	0	111	V317 K319	V317-V603 HydrophobicContact CG1-CB 4.15Å; V317-V603 HydrophobicContact CG1-CG2 4.08Å; V317-V603 PolarHBondContact O-N 2.76Å; K319-V603 HydrophobicContact CB-CG2 3.96Å; K319-V603 HydrophobicContact CD-CG2 3.49Å; K319-V603 VanDerWaalsContact CD-CG2 3.49Å; K319-V603 VanDerWaalsContact CE-CG2 3.4Å; K319-V603 HydrophobicContact CG-CG2 3.37Å
604	L	49.3	Very low	77.7	Confident	166 Å²	166	72.6 Å²	72.6	87%	0.869	36%	0.357	S	S	*	.			trans	-147.9	0	-177.3	-76	167.5	0	0	0	109.3	L581	L581-L604 HydrophobicContact CD1-CD1 4.23Å; L581-L604 HydrophobicContact CG-CD1 3.93Å; L581-L604 HydrophobicContact CD2-CD1 4.36Å

Retrieved 604 of 604 residues in 1040.1 ms (Link to these results)

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