A0A3Q0KHQ3_SCHMA Loading...

Transcriptional co-activator crsp77-related

AlphaFold DB , UniProt , Accession A0A3Q0KHQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 797 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	41.6	Very low	42.2	Very low	238 Å²	238	148.4 Å²	148.4	100%	1.172	79%	0.793	S	S	*	*				0	118.2	0	-78.1	-65.4	-167.8	0	0	107.4
2	P	38.6	Very low	42.3	Very low	119 Å²	119	149.7 Å²	149.7	77%	0.773	80%	0.797	S	S	*	*			trans	-109.6	149.1	-146.9	21.7	-0.9	0	0	0	113.8
3	V	41.4	Very low	42.6	Very low	134 Å²	134	151.2 Å²	151.2	81%	0.812	80%	0.797	S	S	*	*			trans	-44.7	170.1	154.2	-129.7	0	0	0	0	111.1
4	P	44.3	Very low	42.8	Very low	86 Å²	86	147.3 Å²	147.3	56%	0.558	80%	0.796	S	S	*	*			cis	-137.3	-166.2	-1.8	33	-7.9	0	0	0	112.8
5	Y	42.9	Very low	42.9	Very low	221 Å²	221	148.5 Å²	148.5	87%	0.867	80%	0.801	S	S	*	*				172.2	144.1	124.7	-88.3	-70.7	0	0	0	112.4
6	P	40.6	Very low	43.5	Very low	101 Å²	101	143.8 Å²	143.8	66%	0.656	78%	0.783	S	S	*	*			trans	-104.6	168.9	-160.1	41.1	-32.9	0	0	0	114.8
7	Q	38	Very low	44.4	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	79%	0.787	S	S	*	*			trans	39.4	123.1	149.8	-64.9	177.8	-8	0	0	119.5
8	H	42.4	Very low	45.6	Very low	189 Å²	189	144.4 Å²	144.4	88%	0.875	77%	0.769	S	S	*	*			trans	-145	133	130.9	-88.1	-21.4	0	0	0	111.6
9	P	43.7	Very low	46.8	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	77%	0.765	S	S	*	*			trans	-70.8	140.4	-176.4	30.5	-33.2	0	0	0	110.4	P11	P9-P11 VanDerWaalsContact O-CD 3.26Å; P9-P11 WeakPolarHBondContact O-CD 3.45Å
10	I	44.2	Very low	48	Very low	153 Å²	153	140.9 Å²	140.9	79%	0.785	75%	0.749	S	S	*	*			trans	-66.9	115.7	171.4	-60.3	165	0	0	0	107.2	I12	I10-I12 PolarHBondContact O-N 2.97Å
11	P	46.1	Very low	49.1	Very low	105 Å²	105	142.2 Å²	142.2	68%	0.682	74%	0.744	S	S	*	*			trans	-72.5	114.4	172.2	29.2	-28.8	0	0	0	108	P9 E13	P9-P11 VanDerWaalsContact O-CD 3.26Å; P9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-E13 VanDerWaalsContact C-N 3.3Å; P11-E13 PolarHBondContact O-N 2.98Å; P11-E13 VanDerWaalsContact O-N 3.13Å
12	I	44.4	Very low	50.9	Low	164 Å²	164	136.6 Å²	136.6	84%	0.841	72%	0.715	S	S	*	*			trans	-76.6	90	163.6	-59.1	172.2	0	0	0	105.4	I10 A14	I10-I12 PolarHBondContact O-N 2.97Å; I12-A14 PolarHBondContact O-N 3.02Å
13	E	45.8	Very low	52.9	Low	170 Å²	170	135.8 Å²	135.8	79%	0.794	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70	124.6	167.3	-75.4	-176.5	165.5	0	0	108.5	P11 L15	P11-E13 VanDerWaalsContact C-N 3.3Å; P11-E13 PolarHBondContact O-N 2.98Å; P11-E13 VanDerWaalsContact O-N 3.13Å; E13-L15 PolarHBondContact O-N 3.4Å
14	A	45.2	Very low	54.6	Low	96 Å²	96	132.8 Å²	132.8	79%	0.793	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-60.4	124.4	175.7	0	0	0	0	0	109.5	I12 S16	I12-A14 PolarHBondContact O-N 3.02Å; A14-S16 PolarHBondContact O-N 2.67Å
15	L	44.7	Very low	56	Low	166 Å²	166	138 Å²	138	87%	0.869	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-56.8	124.2	171.5	-72.6	165.3	0	0	0	108.4	E13 E17	E13-L15 PolarHBondContact O-N 3.4Å; L15-E17 PolarHBondContact O-N 2.93Å
16	S	52.8	Low	57.8	Low	73 Å²	73	132.9 Å²	132.9	51%	0.51	69%	0.692	S	S	.	*			trans	-51.5	113	178.3	53.4	0	0	0	0	110.6	A14 Y18	A14-S16 PolarHBondContact O-N 2.67Å; S16-Y18 WeakPolarHBondContact O-CD2 3.18Å; S16-Y18 PolarHBondContact O-N 2.65Å
17	E	58.7	Low	59.5	Low	183 Å²	183	130.5 Å²	130.5	86%	0.855	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.1	172.5	-69	174.6	171.2	0	0	108.2	L15	L15-E17 PolarHBondContact O-N 2.93Å
18	Y	65.7	Low	61.3	Low	115 Å²	115	128.6 Å²	128.6	45%	0.451	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-84.3	129.9	170.7	-69.8	-92.2	0	0	0	108.3	S16 L31 K33	S16-Y18 WeakPolarHBondContact O-CD2 3.18Å; S16-Y18 PolarHBondContact O-N 2.65Å; Y18-L31 HydrophobicContact CD1-CB 4.49Å; Y18-L31 HydrophobicContact CG-CB 4.49Å; Y18-K33 HydrophobicContact CE1-CB 4.28Å; Y18-K33 HydrophobicContact CE1-CG 4.16Å
19	D	68	Low	63.2	Low	131 Å²	131	124.7 Å²	124.7	70%	0.701	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.1	132.4	172.7	-83.3	-30	0	0	0	110	R21 E32	D19-R21 PolarHBondContact O-N 2.67Å; D19-E32 PolarHBondContact O-N 3.12Å
20	I	71.4	Confident	64.7	Low	87 Å²	87	122.8 Å²	122.8	45%	0.446	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.9	114.7	176.2	-59.4	168.3	0	0	0	108.5	I23 E29 L31	I20-I23 HydrophobicContact CG2-CD1 4.29Å; I20-I23 HydrophobicContact CG2-CG1 3.7Å; I20-E29 HydrophobicContact CG2-CB 4.42Å; I20-L31 HydrophobicContact CG1-CD2 3.78Å
21	R	70.5	Confident	66.2	Low	170 Å²	170	119.7 Å²	119.7	64%	0.642	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.7	-43.9	-178.5	-155.9	178	-161.8	-150.9	-5.9	112.3	D19 I30 E32	D19-R21 PolarHBondContact O-N 2.67Å; R21-I30 VanDerWaalsContact CB-O 3.24Å; R21-I30 WeakPolarHBondContact CB-O 3.41Å; R21-I30 PolarHBondContact N-O 3.07Å; R21-E32 HydrophobicContact CB-CB 4.01Å; R21-E32 VanDerWaalsContact CD-OE2 3.29Å; R21-E32 WeakPolarHBondContact CD-OE2 3.24Å; R21-E32 HydrophobicContact CG-CB 4.18Å; R21-E32 WeakPolarHBondContact CG-OE2 3.39Å; R21-E32 IonicContact CZ-OE2 2.75Å; R21-E32 IonicContact NE-OE1 3.75Å; R21-E32 IonicContact NE-OE2 3.69Å; R21-E32 PolarHBondContact NE-OE2 3.14Å
22	E	80.3	Confident	67.5	Low	119 Å²	119	118.1 Å²	118.1	56%	0.556	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-159.3	142.7	-176.9	-171.8	171	-171.8	0	0	109.1	I30	E22-I30 PolarHBondContact N-O 2.83Å; E22-I30 PolarHBondContact O-N 2.98Å
23	I	78.9	Confident	68.7	Low	102 Å²	102	117.3 Å²	117.3	52%	0.523	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	112	171	-54.1	179.2	0	0	0	106.2	I20 E29	I20-I23 HydrophobicContact CG2-CD1 4.29Å; I20-I23 HydrophobicContact CG2-CG1 3.7Å; I23-E29 HydrophobicContact CG1-CG 4.28Å
24	L	79	Confident	69.6	Low	72 Å²	72	112.8 Å²	112.8	38%	0.377	59%	0.585	S	S	.	*			trans	-64.9	160.6	178.6	-71.9	162.3	0	0	0	111	D26 G27 H28 I30	L24-D26 WeakPolarHBondContact CB-OD1 3.31Å; L24-D26 PolarHBondContact O-N 3.48Å; L24-D26 VanDerWaalsContact O-N 3.14Å; L24-G27 PolarHBondContact O-N 3.22Å; L24-H28 HydrophobicContact CD1-CB 3.98Å; L24-H28 PolarHBondContact N-O 2.91Å; L24-I30 HydrophobicContact CD1-CD1 3.89Å; L24-I30 HydrophobicContact CD1-CG1 3.97Å; L24-I30 HydrophobicContact CD2-CD1 4.17Å; L24-I30 HydrophobicContact CG-CD1 3.91Å; L24-I30 HydrophobicContact CG-CG1 4.2Å
25	L	72.6	Confident	70.8	Confident	196 Å²	196	111.9 Å²	111.9	100%	1.026	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-17.5	-179.8	-76	159.8	0	0	0	113.9
26	D	81.2	Confident	72.4	Confident	113 Å²	113	107.8 Å²	107.8	60%	0.604	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2	174.1	59.4	1.2	0	0	0	113.3	L24 H28	L24-D26 WeakPolarHBondContact CB-OD1 3.31Å; L24-D26 PolarHBondContact O-N 3.48Å; L24-D26 VanDerWaalsContact O-N 3.14Å; D26-H28 PolarHBondContact OD1-N 3.31Å; D26-H28 IonicContact OD2-CD2 3.06Å
27	G	74.9	Confident	73.5	Confident	51 Å²	51	109.8 Å²	109.8	53%	0.526	56%	0.56	S	S	.	*	S	Bend	trans	83	6	-177.9	0	0	0	0	0	114.5	L24 E29	L24-G27 PolarHBondContact O-N 3.22Å; G27-E29 PolarHBondContact O-N 2.94Å
28	H	77	Confident	74.6	Confident	133 Å²	133	104.3 Å²	104.3	62%	0.616	55%	0.546	S	S	*	.			trans	-74.8	121.6	171.7	-92.7	-63.9	0	0	0	111.1	L24 D26	L24-H28 HydrophobicContact CD1-CB 3.98Å; L24-H28 PolarHBondContact N-O 2.91Å; D26-H28 PolarHBondContact OD1-N 3.31Å; D26-H28 IonicContact OD2-CD2 3.06Å
29	E	81.2	Confident	75.2	Confident	107 Å²	107	100.5 Å²	100.5	50%	0.5	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.4	175.2	-59.5	-178.3	171.5	0	0	110	I20 I23 G27 L31	I20-E29 HydrophobicContact CG2-CB 4.42Å; I23-E29 HydrophobicContact CG1-CG 4.28Å; G27-E29 PolarHBondContact O-N 2.94Å; E29-L31 PolarHBondContact O-N 3.44Å
30	I	76.7	Confident	75.7	Confident	72 Å²	72	98.3 Å²	98.3	37%	0.369	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.5	169	-58	176.4	0	0	0	107.2	R21 E22 L24	R21-I30 VanDerWaalsContact CB-O 3.24Å; R21-I30 WeakPolarHBondContact CB-O 3.41Å; R21-I30 PolarHBondContact N-O 3.07Å; E22-I30 PolarHBondContact N-O 2.83Å; E22-I30 PolarHBondContact O-N 2.98Å; L24-I30 HydrophobicContact CD1-CD1 3.89Å; L24-I30 HydrophobicContact CD1-CG1 3.97Å; L24-I30 HydrophobicContact CD2-CD1 4.17Å; L24-I30 HydrophobicContact CG-CD1 3.91Å; L24-I30 HydrophobicContact CG-CG1 4.2Å
31	L	75.4	Confident	76	Confident	89 Å²	89	100.3 Å²	100.3	47%	0.466	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.4	178.8	-63.9	169.9	0	0	0	110.3	Y18 I20 E29 K33	Y18-L31 HydrophobicContact CD1-CB 4.49Å; Y18-L31 HydrophobicContact CG-CB 4.49Å; I20-L31 HydrophobicContact CG1-CD2 3.78Å; E29-L31 PolarHBondContact O-N 3.44Å; L31-K33 PolarHBondContact O-N 3.38Å
32	E	72.5	Confident	76.5	Confident	71 Å²	71	97.7 Å²	97.7	33%	0.332	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.1	170.9	-166.6	162.5	174.2	0	0	108.9	D19 R21	D19-E32 PolarHBondContact O-N 3.12Å; R21-E32 HydrophobicContact CB-CB 4.01Å; R21-E32 VanDerWaalsContact CD-OE2 3.29Å; R21-E32 WeakPolarHBondContact CD-OE2 3.24Å; R21-E32 HydrophobicContact CG-CB 4.18Å; R21-E32 WeakPolarHBondContact CG-OE2 3.39Å; R21-E32 IonicContact CZ-OE2 2.75Å; R21-E32 IonicContact NE-OE1 3.75Å; R21-E32 IonicContact NE-OE2 3.69Å; R21-E32 PolarHBondContact NE-OE2 3.14Å
33	K	70	Confident	76.5	Confident	148 Å²	148	99 Å²	99	64%	0.643	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-66.8	127.7	172.3	-175	173.2	-177.6	175.3	0	108.5	Y18 L31 L35	Y18-K33 HydrophobicContact CE1-CB 4.28Å; Y18-K33 HydrophobicContact CE1-CG 4.16Å; L31-K33 PolarHBondContact O-N 3.38Å; K33-L35 PolarHBondContact O-N 3.38Å
34	P	65.5	Low	76.5	Confident	74 Å²	74	98.5 Å²	98.5	48%	0.481	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-54.6	131.1	176	19	-30	0	0	0	110.1	T36	P34-T36 PolarHBondContact O-N 2.9Å
35	L	69.3	Low	76.6	Confident	77 Å²	77	98.2 Å²	98.2	40%	0.403	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-57.2	129.2	-178.9	-80	92.2	0	0	0	109.4	K33 A39	K33-L35 PolarHBondContact O-N 3.38Å; L35-A39 HydrophobicContact CB-CB 4.2Å; L35-A39 HydrophobicContact CD2-CB 3.98Å; L35-A39 HydrophobicContact CG-CB 4.39Å
36	T	78.7	Confident	76.9	Confident	81 Å²	81	94.7 Å²	94.7	50%	0.497	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-58.1	149.9	171	46.9	0	0	0	0	109.7	P34 A38 A39 N40	P34-T36 PolarHBondContact O-N 2.9Å; T36-A38 PolarHBondContact O-N 2.72Å; T36-A39 WeakPolarHBondContact O-CA 3.45Å; T36-A39 WeakPolarHBondContact O-CB 3.33Å; T36-A39 PolarHBondContact O-N 3.48Å; T36-N40 PolarHBondContact O-N 3Å
37	P	76.1	Confident	76.5	Confident	115 Å²	115	96.7 Å²	96.7	75%	0.747	51%	0.51	S	S	*	.	H	α-helix	trans	-51.2	-35	178.5	-28.6	34.5	0	0	0	113.3	N40 F41	P37-N40 PolarHBondContact O-N 3.3Å; P37-F41 VanDerWaalsContact O-CB 3.29Å; P37-F41 WeakPolarHBondContact O-CB 3.35Å; P37-F41 PolarHBondContact O-N 2.98Å
38	A	81	Confident	76.4	Confident	67 Å²	67	98.2 Å²	98.2	55%	0.554	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-42	173.3	0	0	0	0	0	113	T36 F41 Q42	T36-A38 PolarHBondContact O-N 2.72Å; A38-F41 PolarHBondContact O-N 3.39Å; A38-Q42 WeakPolarHBondContact O-CB 3.45Å; A38-Q42 PolarHBondContact O-N 3.21Å
39	A	79.6	Confident	75.8	Confident	36 Å²	36	97.6 Å²	97.6	30%	0.298	51%	0.507	S	S	.	.	H	α-helix	trans	-71	-35.8	176.7	0	0	0	0	0	112.1	L35 T36 Q42 R43	L35-A39 HydrophobicContact CB-CB 4.2Å; L35-A39 HydrophobicContact CD2-CB 3.98Å; L35-A39 HydrophobicContact CG-CB 4.39Å; T36-A39 WeakPolarHBondContact O-CA 3.45Å; T36-A39 WeakPolarHBondContact O-CB 3.33Å; T36-A39 PolarHBondContact O-N 3.48Å; A39-Q42 PolarHBondContact O-N 2.9Å; A39-R43 WeakPolarHBondContact O-CB 3.27Å; A39-R43 PolarHBondContact O-N 3.47Å
40	N	77.1	Confident	74.9	Confident	84 Å²	84	99.9 Å²	99.9	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-43.5	173	-163.1	22.2	0	0	0	111.1	T36 P37 R43 I44	T36-N40 PolarHBondContact O-N 3Å; P37-N40 PolarHBondContact O-N 3.3Å; N40-R43 WeakPolarHBondContact O-CB 3.48Å; N40-R43 PolarHBondContact O-N 3.46Å; N40-I44 VanDerWaalsContact O-CG1 3.31Å; N40-I44 WeakPolarHBondContact O-CG1 3.48Å; N40-I44 PolarHBondContact O-N 2.98Å
41	F	78.2	Confident	74.1	Confident	129 Å²	129	100.9 Å²	100.9	57%	0.566	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-42.7	174.1	-174.3	-111.3	0	0	0	112.4	P37 A38 R43 I44 I45	P37-F41 VanDerWaalsContact O-CB 3.29Å; P37-F41 WeakPolarHBondContact O-CB 3.35Å; P37-F41 PolarHBondContact O-N 2.98Å; A38-F41 PolarHBondContact O-N 3.39Å; F41-R43 VanDerWaalsContact C-N 3.3Å; F41-R43 PolarHBondContact O-N 3.21Å; F41-I44 PolarHBondContact O-N 2.98Å; F41-I45 HydrophobicContact CD1-CD1 3.55Å; F41-I45 HydrophobicContact CD1-CG1 4.35Å; F41-I45 HydrophobicContact CE1-CD1 3.11Å; F41-I45 HydrophobicContact CE1-CG1 4.11Å; F41-I45 HydrophobicContact CE2-CD1 4.22Å; F41-I45 HydrophobicContact CE2-CG1 4.43Å; F41-I45 HydrophobicContact CG-CD1 4.3Å; F41-I45 HydrophobicContact CZ-CD1 3.49Å; F41-I45 VanDerWaalsContact CZ-CD1 3.49Å; F41-I45 HydrophobicContact CZ-CG1 4.14Å; F41-I45 WeakPolarHBondContact O-CG1 3.44Å; F41-I45 PolarHBondContact O-N 3.48Å
42	Q	82.1	Confident	73	Confident	115 Å²	115	105.2 Å²	105.2	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-59.6	-41.4	174.8	-154.9	85.7	22.5	0	0	111.7	A38 A39 I45 N46	A38-Q42 WeakPolarHBondContact O-CB 3.45Å; A38-Q42 PolarHBondContact O-N 3.21Å; A39-Q42 PolarHBondContact O-N 2.9Å; Q42-I45 PolarHBondContact O-N 3.48Å; Q42-N46 WeakPolarHBondContact O-CB 3.37Å; Q42-N46 PolarHBondContact O-N 3.48Å; Q42-N46 PolarHBondContact O-OD1 2.92Å
43	R	80.1	Confident	71.4	Confident	148 Å²	148	106.5 Å²	106.5	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-39.7	177.5	-164.2	-179	-168.2	160.4	3.2	111.8	A39 N40 F41 H47	A39-R43 WeakPolarHBondContact O-CB 3.27Å; A39-R43 PolarHBondContact O-N 3.47Å; N40-R43 WeakPolarHBondContact O-CB 3.48Å; N40-R43 PolarHBondContact O-N 3.46Å; F41-R43 VanDerWaalsContact C-N 3.3Å; F41-R43 PolarHBondContact O-N 3.21Å; R43-H47 PolarHBondContact O-N 3.03Å
44	I	79.2	Confident	70.1	Confident	91 Å²	91	104.4 Å²	104.4	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-49.3	174.9	-66.5	164.4	0	0	0	110	N40 F41 N46 H47 I48	N40-I44 VanDerWaalsContact O-CG1 3.31Å; N40-I44 WeakPolarHBondContact O-CG1 3.48Å; N40-I44 PolarHBondContact O-N 2.98Å; F41-I44 PolarHBondContact O-N 2.98Å; I44-N46 VanDerWaalsContact C-N 3.32Å; I44-N46 PolarHBondContact O-N 3.24Å; I44-H47 WeakPolarHBondContact O-CA 3.42Å; I44-H47 WeakPolarHBondContact O-CB 3.39Å; I44-H47 PolarHBondContact O-N 2.97Å; I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.44Å
45	I	80.1	Confident	68.8	Low	65 Å²	65	106.6 Å²	106.6	33%	0.333	58%	0.584	S	S	.	*	H	α-helix	trans	-56.4	-45.6	178.6	-75.9	176.9	0	0	0	111.7	F41 Q42 H47 I48	F41-I45 HydrophobicContact CD1-CD1 3.55Å; F41-I45 HydrophobicContact CD1-CG1 4.35Å; F41-I45 HydrophobicContact CE1-CD1 3.11Å; F41-I45 HydrophobicContact CE1-CG1 4.11Å; F41-I45 HydrophobicContact CE2-CD1 4.22Å; F41-I45 HydrophobicContact CE2-CG1 4.43Å; F41-I45 HydrophobicContact CG-CD1 4.3Å; F41-I45 HydrophobicContact CZ-CD1 3.49Å; F41-I45 VanDerWaalsContact CZ-CD1 3.49Å; F41-I45 HydrophobicContact CZ-CG1 4.14Å; F41-I45 WeakPolarHBondContact O-CG1 3.44Å; F41-I45 PolarHBondContact O-N 3.48Å; Q42-I45 PolarHBondContact O-N 3.48Å; I45-H47 PolarHBondContact O-N 3.28Å; I45-H47 VanDerWaalsContact O-N 3.17Å; I45-I48 PolarHBondContact O-N 3.15Å
46	N	78.5	Confident	67.6	Low	123 Å²	123	114.6 Å²	114.6	66%	0.658	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-15.4	-179.6	-69.8	-8.2	0	0	0	113.1	Q42 I44	Q42-N46 WeakPolarHBondContact O-CB 3.37Å; Q42-N46 PolarHBondContact O-N 3.48Å; Q42-N46 PolarHBondContact O-OD1 2.92Å; I44-N46 VanDerWaalsContact C-N 3.32Å; I44-N46 PolarHBondContact O-N 3.24Å
47	H	74.2	Confident	65.8	Low	155 Å²	155	114 Å²	114	72%	0.718	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-5.5	173.7	-98.7	-71.9	0	0	0	113.5	R43 I44 I45 D49	R43-H47 PolarHBondContact O-N 3.03Å; I44-H47 WeakPolarHBondContact O-CA 3.42Å; I44-H47 WeakPolarHBondContact O-CB 3.39Å; I44-H47 PolarHBondContact O-N 2.97Å; I45-H47 PolarHBondContact O-N 3.28Å; I45-H47 VanDerWaalsContact O-N 3.17Å; H47-D49 PolarHBondContact O-N 3.35Å
48	I	72.6	Confident	63.8	Low	83 Å²	83	116 Å²	116	43%	0.426	63%	0.625	S	S	.	*			trans	-80.6	100.4	174.5	-55.8	173	0	0	0	107.8	I44 I45 F50	I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.44Å; I45-I48 PolarHBondContact O-N 3.15Å; I48-F50 HydrophobicContact CB-CD2 4.48Å; I48-F50 HydrophobicContact CB-CE2 3.91Å; I48-F50 HydrophobicContact CB-CZ 4.12Å; I48-F50 HydrophobicContact CG2-CD1 4.1Å; I48-F50 HydrophobicContact CG2-CD2 3.94Å; I48-F50 HydrophobicContact CG2-CE1 3.69Å; I48-F50 HydrophobicContact CG2-CE2 3.52Å; I48-F50 HydrophobicContact CG2-CG 4.23Å; I48-F50 HydrophobicContact CG2-CZ 3.39Å; I48-F50 WeakPolarHBondContact O-CD2 3.25Å; I48-F50 PolarHBondContact O-N 3.02Å
49	D	64	Low	61.6	Low	119 Å²	119	121 Å²	121	64%	0.636	64%	0.642	S	S	*	*			trans	-83.5	106.4	172.6	-157.5	-8.4	0	0	0	109.5	H47 S51	H47-D49 PolarHBondContact O-N 3.35Å; D49-S51 PolarHBondContact O-N 3.31Å; D49-S51 PolarHBondContact OD1-OG 3.27Å; D49-S51 VanDerWaalsContact OD1-OG 3.04Å
50	F	62.5	Low	59.4	Low	155 Å²	155	125.1 Å²	125.1	68%	0.68	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-80	4.4	-177.7	-70	-81.5	0	0	0	113.3	I48 E52 S53	I48-F50 HydrophobicContact CB-CD2 4.48Å; I48-F50 HydrophobicContact CB-CE2 3.91Å; I48-F50 HydrophobicContact CB-CZ 4.12Å; I48-F50 HydrophobicContact CG2-CD1 4.1Å; I48-F50 HydrophobicContact CG2-CD2 3.94Å; I48-F50 HydrophobicContact CG2-CE1 3.69Å; I48-F50 HydrophobicContact CG2-CE2 3.52Å; I48-F50 HydrophobicContact CG2-CG 4.23Å; I48-F50 HydrophobicContact CG2-CZ 3.39Å; I48-F50 WeakPolarHBondContact O-CD2 3.25Å; I48-F50 PolarHBondContact O-N 3.02Å; F50-E52 VanDerWaalsContact C-N 3.31Å; F50-E52 PolarHBondContact O-N 2.95Å; F50-S53 PolarHBondContact O-OG 3.44Å
51	S	59.7	Low	57.5	Low	93 Å²	93	125.5 Å²	125.5	65%	0.65	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-80.4	-4.1	176.6	59.5	0	0	0	0	115.1	D49	D49-S51 PolarHBondContact O-N 3.31Å; D49-S51 PolarHBondContact OD1-OG 3.27Å; D49-S51 VanDerWaalsContact OD1-OG 3.04Å
52	E	51.1	Low	55.5	Low	181 Å²	181	125.4 Å²	125.4	85%	0.846	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-96.1	5.9	179.8	-74.3	-164.2	153.5	0	0	115	F50 S54	F50-E52 VanDerWaalsContact C-N 3.31Å; F50-E52 PolarHBondContact O-N 2.95Å; E52-S54 PolarHBondContact O-N 3.25Å
53	S	39.8	Very low	53.1	Low	97 Å²	97	125.2 Å²	125.2	68%	0.678	68%	0.681	S	S	*	*			trans	-99.9	66.7	-176.6	65.4	0	0	0	0	114	F50	F50-S53 PolarHBondContact O-OG 3.44Å
54	S	42.7	Very low	51	Low	104 Å²	104	127.5 Å²	127.5	73%	0.727	70%	0.695	S	S	*	*	S	Bend	trans	-161.5	67.9	159	65.9	0	0	0	0	112.6	E52	E52-S54 PolarHBondContact O-N 3.25Å
55	S	38.9	Very low	49	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	71%	0.71	S	S	*	*			trans	-165.4	74.5	158.4	-72.4	0	0	0	0	109.1
56	Y	43.9	Very low	46.9	Very low	244 Å²	244	132.7 Å²	132.7	96%	0.957	73%	0.727	S	S	*	*			trans	-69.8	122.1	165.4	-91.5	-92.6	0	0	0	108.9
57	G	40	Very low	44.8	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	73%	0.725	S	S	*	*	S	Bend	trans	158.1	80.6	171.3	0	0	0	0	0	113.6
58	D	35.2	Very low	43	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	71%	0.71	S	S	*	*			trans	41.2	97.8	154.4	-73	-21.2	0	0	0	119.1
59	N	33.4	Very low	41.2	Very low	172 Å²	172	132.2 Å²	132.2	92%	0.92	72%	0.723	S	S	*	*			trans	-151.8	97.8	147.6	-88.5	-43.7	0	0	0	110.2
60	C	34.5	Very low	39.9	Very low	123 Å²	123	134.1 Å²	134.1	83%	0.831	73%	0.732	S	S	*	*			trans	-94.5	137.8	172.2	-162.5	0	0	0	0	110.1
61	S	37.2	Very low	38.6	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	73%	0.73	S	S	*	*			trans	87.4	103.9	156.8	13.2	0	0	0	0	121
62	Q	35.3	Very low	37.6	Very low	127 Å²	127	135.2 Å²	135.2	59%	0.593	73%	0.731	S	S	*	*				83	96.6	128.1	-63	-179.1	2.5	0	0	119.4
63	N	32.5	Very low	37	Very low	111 Å²	111	135.7 Å²	135.7	59%	0.594	73%	0.731	S	S	*	*				170	67.1	121.4	-85	-18.2	0	0	0	111.6	D226	N63-D226 PolarHBondContact ND2-OD2 3.41Å
64	K	36.8	Very low	37.5	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.857	72%	0.715	S	S	*	*			trans	-111.2	29.4	171.8	-77.9	-172.7	177.1	177.1	0	113
65	E	37.1	Very low	38.1	Very low	167 Å²	167	133.5 Å²	133.5	78%	0.78	71%	0.711	S	S	*	*	S	Bend	trans	-96.4	-6.2	178.2	-73.6	-169	163.5	0	0	114.7	S68	E65-S68 PolarHBondContact O-OG 2.93Å
66	S	34.5	Very low	39.4	Very low	97 Å²	97	135 Å²	135	68%	0.678	70%	0.702	S	S	*	*	S	Bend	trans	-94.4	-16.8	179.6	44.4	0	0	0	0	114.6
67	E	35.9	Very low	40.9	Very low	133 Å²	133	128.2 Å²	128.2	62%	0.621	68%	0.681	S	S	*	*	S	Bend	trans	-86.6	-10	175	-78.6	-163	168.3	0	0	114.5	K71	E67-K71 IonicContact OE2-NZ 2.98Å
68	S	35.4	Very low	42.7	Very low	57 Å²	57	133.9 Å²	133.9	40%	0.399	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.2	-17.8	-178.7	58.8	0	0	0	0	113.5	E65	E65-S68 PolarHBondContact O-OG 2.93Å
69	F	35.8	Very low	45	Very low	162 Å²	162	130.8 Å²	130.8	71%	0.711	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-19.9	-178.9	-86	-82.7	0	0	0	114.7
70	L	36.2	Very low	47.4	Very low	158 Å²	158	128.1 Å²	128.1	83%	0.827	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-15.6	175.7	-102	128.5	0	0	0	113.7
71	K	35.9	Very low	49.9	Very low	147 Å²	147	125 Å²	125	64%	0.639	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-5.9	-177.3	-76.6	176.3	177.8	165.4	0	114.9	E67	E67-K71 IonicContact OE2-NZ 2.98Å
72	N	38.1	Very low	52.4	Low	125 Å²	125	126 Å²	126	67%	0.668	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	0	-177.8	-73.3	-15.3	0	0	0	115.4	T74	N72-T74 PolarHBondContact O-N 3.14Å
73	F	39.2	Very low	54.9	Low	191 Å²	191	124.8 Å²	124.8	84%	0.838	61%	0.612	S	S	*	*			trans	-76.4	74.6	162.1	-94.8	-84.4	0	0	0	108.9
74	T	49.2	Very low	57.7	Low	55 Å²	55	123.3 Å²	123.3	34%	0.337	61%	0.607	S	S	.	*			trans	-72.9	132.9	-177.9	52.1	0	0	0	0	109.9	N72 K76 I77	N72-T74 PolarHBondContact O-N 3.14Å; T74-K76 PolarHBondContact O-N 3.44Å; T74-I77 PolarHBondContact O-N 3Å
75	P	56.3	Low	60.4	Low	99 Å²	99	119.2 Å²	119.2	64%	0.643	59%	0.594	S	S	*	*	H	α-helix	trans	-53.7	-17.1	170.2	20.3	-31.4	0	0	0	112.5	I77 W78 E79	P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.04Å; P75-W78 PolarHBondContact O-N 3.46Å; P75-W78 VanDerWaalsContact O-N 3.15Å; P75-E79 WeakPolarHBondContact O-CG 2.92Å; P75-E79 PolarHBondContact O-N 2.96Å
76	K	66.3	Low	63	Low	154 Å²	154	118.4 Å²	118.4	67%	0.67	58%	0.584	S	S	*	*	H	α-helix	trans	-56.6	-35.8	173	-64.2	-175.7	176.3	-178.2	0	114.4	T74 W78 E79 N80	T74-K76 PolarHBondContact O-N 3.44Å; K76-W78 VanDerWaalsContact C-N 3.33Å; K76-E79 PolarHBondContact O-N 3.49Å; K76-N80 PolarHBondContact O-N 3.34Å
77	I	73.7	Confident	65.8	Low	100 Å²	100	116.5 Å²	116.5	51%	0.513	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-43.2	176.5	-62.7	170.7	0	0	0	109.6	T74 P75 N80 V81	T74-I77 PolarHBondContact O-N 3Å; P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.04Å; I77-N80 PolarHBondContact O-N 3.38Å; I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 3.27Å; I77-V81 VanDerWaalsContact O-N 3.13Å
78	W	77.9	Confident	68.6	Low	187 Å²	187	113.3 Å²	113.3	71%	0.708	56%	0.558	S	S	*	*	H	α-helix	trans	-70.1	-34.1	177	-95.8	130.6	0	0	0	112.9	P75 K76 V81 K82	P75-W78 PolarHBondContact O-N 3.46Å; P75-W78 VanDerWaalsContact O-N 3.15Å; K76-W78 VanDerWaalsContact C-N 3.33Å; W78-V81 HydrophobicContact CE3-CB 3.73Å; W78-V81 HydrophobicContact CE3-CG1 3.87Å; W78-V81 HydrophobicContact CE3-CG2 4.37Å; W78-V81 HydrophobicContact CH2-CG1 4.48Å; W78-V81 HydrophobicContact CZ3-CB 3.86Å; W78-V81 HydrophobicContact CZ3-CG1 3.44Å; W78-V81 VanDerWaalsContact CZ3-CG1 3.44Å; W78-V81 HydrophobicContact CZ3-CG2 4.45Å; W78-V81 PolarHBondContact O-N 2.93Å; W78-K82 WeakPolarHBondContact O-CB 3.42Å; W78-K82 PolarHBondContact O-N 3.06Å
79	E	83.7	Confident	71.4	Confident	93 Å²	93	115.1 Å²	115.1	44%	0.435	56%	0.562	S	S	.	*	H	α-helix	trans	-64.1	-39.4	172.9	-69.6	-59.7	151.7	0	0	111.6	P75 K76 K82 E83	P75-E79 WeakPolarHBondContact O-CG 2.92Å; P75-E79 PolarHBondContact O-N 2.96Å; K76-E79 PolarHBondContact O-N 3.49Å; E79-K82 PolarHBondContact O-N 3.07Å; E79-K82 IonicContact OE1-NZ 3.92Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 3.81Å; E79-K82 PolarHBondContact OE2-NZ 3.48Å; E79-E83 WeakPolarHBondContact O-CB 3.46Å; E79-E83 PolarHBondContact O-N 3.13Å
80	N	84	Confident	74.2	Confident	116 Å²	116	112 Å²	112	62%	0.62	55%	0.552	S	S	*	*	H	α-helix	trans	-64.7	-42.5	174.4	-73.5	0.8	0	0	0	112.3	K76 I77 K82 E83 T84	K76-N80 PolarHBondContact O-N 3.34Å; I77-N80 PolarHBondContact O-N 3.38Å; N80-K82 VanDerWaalsContact C-N 3.31Å; N80-E83 PolarHBondContact O-N 2.95Å; N80-T84 WeakPolarHBondContact O-CB 3.28Å; N80-T84 WeakPolarHBondContact O-CG2 3.3Å; N80-T84 PolarHBondContact O-N 2.64Å; N80-T84 PolarHBondContact O-OG1 2.85Å
81	V	86.8	Confident	76.9	Confident	56 Å²	56	111 Å²	111	34%	0.339	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-38.6	176.2	177.2	0	0	0	0	110.7	I77 W78 T84 L85	I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 3.27Å; I77-V81 VanDerWaalsContact O-N 3.13Å; W78-V81 HydrophobicContact CE3-CB 3.73Å; W78-V81 HydrophobicContact CE3-CG1 3.87Å; W78-V81 HydrophobicContact CE3-CG2 4.37Å; W78-V81 HydrophobicContact CH2-CG1 4.48Å; W78-V81 HydrophobicContact CZ3-CB 3.86Å; W78-V81 HydrophobicContact CZ3-CG1 3.44Å; W78-V81 VanDerWaalsContact CZ3-CG1 3.44Å; W78-V81 HydrophobicContact CZ3-CG2 4.45Å; W78-V81 PolarHBondContact O-N 2.93Å; V81-T84 WeakPolarHBondContact CA-OG1 3.45Å; V81-T84 PolarHBondContact O-OG1 3.12Å; V81-L85 HydrophobicContact CG1-CD1 3.96Å; V81-L85 HydrophobicContact CG1-CG 4.45Å; V81-L85 VanDerWaalsContact O-CB 3.29Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 VanDerWaalsContact O-CG 3.24Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 3.36Å
82	K	88.9	Confident	79.7	Confident	114 Å²	114	108.3 Å²	108.3	50%	0.496	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-41.1	176.8	179.7	-179.3	161.6	-152.4	0	111.9	W78 E79 N80 R86	W78-K82 WeakPolarHBondContact O-CB 3.42Å; W78-K82 PolarHBondContact O-N 3.06Å; E79-K82 PolarHBondContact O-N 3.07Å; E79-K82 IonicContact OE1-NZ 3.92Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 3.81Å; E79-K82 PolarHBondContact OE2-NZ 3.48Å; N80-K82 VanDerWaalsContact C-N 3.31Å; K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 PolarHBondContact O-N 3.43Å
83	E	89.3	Confident	82.4	Confident	101 Å²	101	106 Å²	106	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-44.1	178	-169.8	58.5	-153	0	0	111.3	E79 N80 L85 R86 T87	E79-E83 WeakPolarHBondContact O-CB 3.46Å; E79-E83 PolarHBondContact O-N 3.13Å; N80-E83 PolarHBondContact O-N 2.95Å; E83-L85 PolarHBondContact O-N 2.87Å; E83-R86 CarbonylContact O-C 3.47Å; E83-R86 WeakPolarHBondContact O-CA 3.37Å; E83-R86 WeakPolarHBondContact O-CB 3.44Å; E83-R86 PolarHBondContact O-N 2.91Å; E83-R86 VanDerWaalsContact O-N 3.1Å; E83-T87 WeakPolarHBondContact O-CG2 3.32Å; E83-T87 PolarHBondContact O-N 3.34Å; E83-T87 PolarHBondContact O-OG1 3.48Å
84	T	91.2	Very high	84.9	Confident	80 Å²	80	99.2 Å²	99.2	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-39.2	174.8	48.9	0	0	0	0	112.6	N80 V81 R86 T87 T88	N80-T84 WeakPolarHBondContact O-CB 3.28Å; N80-T84 WeakPolarHBondContact O-CG2 3.3Å; N80-T84 PolarHBondContact O-N 2.64Å; N80-T84 PolarHBondContact O-OG1 2.85Å; V81-T84 WeakPolarHBondContact CA-OG1 3.45Å; V81-T84 PolarHBondContact O-OG1 3.12Å; T84-R86 VanDerWaalsContact C-N 3.32Å; T84-T87 WeakPolarHBondContact CA-OG1 3.24Å; T84-T87 PolarHBondContact O-OG1 2.8Å; T84-T88 WeakPolarHBondContact O-CB 3.4Å; T84-T88 PolarHBondContact O-N 3.35Å; T84-T88 PolarHBondContact O-OG1 2.89Å
85	L	92.6	Very high	86.9	Confident	111 Å²	111	101.5 Å²	101.5	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-65.7	-36.8	171.7	-77.2	171.7	0	0	0	111.7	V81 E83 L89	V81-L85 HydrophobicContact CG1-CD1 3.96Å; V81-L85 HydrophobicContact CG1-CG 4.45Å; V81-L85 VanDerWaalsContact O-CB 3.29Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 VanDerWaalsContact O-CG 3.24Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 3.36Å; E83-L85 PolarHBondContact O-N 2.87Å; L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 3.13Å
86	R	92.2	Very high	88.7	Confident	151 Å²	151	100.4 Å²	100.4	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-45.4	177.7	-169.3	-175.2	-178.2	100.5	1.6	111.4	K82 E83 T84 L89 I90	K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 PolarHBondContact O-N 3.43Å; E83-R86 CarbonylContact O-C 3.47Å; E83-R86 WeakPolarHBondContact O-CA 3.37Å; E83-R86 WeakPolarHBondContact O-CB 3.44Å; E83-R86 PolarHBondContact O-N 2.91Å; E83-R86 VanDerWaalsContact O-N 3.1Å; T84-R86 VanDerWaalsContact C-N 3.32Å; R86-L89 PolarHBondContact O-N 3.25Å; R86-I90 HydrophobicContact CG-CD1 4.15Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.41Å
87	T	93.5	Very high	89.8	Confident	57 Å²	57	97.5 Å²	97.5	35%	0.35	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-45.1	175.7	55.6	0	0	0	0	111.1	E83 T84 L89 I90 E91	E83-T87 WeakPolarHBondContact O-CG2 3.32Å; E83-T87 PolarHBondContact O-N 3.34Å; E83-T87 PolarHBondContact O-OG1 3.48Å; T84-T87 WeakPolarHBondContact CA-OG1 3.24Å; T84-T87 PolarHBondContact O-OG1 2.8Å; T87-L89 VanDerWaalsContact C-N 3.3Å; T87-L89 PolarHBondContact O-N 2.95Å; T87-I90 WeakPolarHBondContact O-CB 3.22Å; T87-I90 PolarHBondContact O-N 2.85Å; T87-I90 VanDerWaalsContact O-N 3.11Å; T87-E91 WeakPolarHBondContact O-CG 3.28Å; T87-E91 PolarHBondContact O-N 3.49Å
88	T	94.4	Very high	90.5	Very high	66 Å²	66	96 Å²	96	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-59.9	-41.4	175.4	-51.2	0	0	0	0	111.3	T84 E91 I92	T84-T88 WeakPolarHBondContact O-CB 3.4Å; T84-T88 PolarHBondContact O-N 3.35Å; T84-T88 PolarHBondContact O-OG1 2.89Å; T88-E91 PolarHBondContact O-N 3.32Å; T88-I92 HydrophobicContact CG2-CD1 3.99Å; T88-I92 WeakPolarHBondContact O-CB 3.25Å; T88-I92 VanDerWaalsContact O-CG1 3.25Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 3.08Å
89	L	94.3	Very high	90.9	Very high	94 Å²	94	91.9 Å²	91.9	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-37.3	176.3	-177.7	63.2	0	0	0	112	L85 R86 T87 I92 N93	L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 3.13Å; R86-L89 PolarHBondContact O-N 3.25Å; T87-L89 VanDerWaalsContact C-N 3.3Å; T87-L89 PolarHBondContact O-N 2.95Å; L89-I92 PolarHBondContact O-N 3.32Å; L89-N93 VanDerWaalsContact O-CB 3.28Å; L89-N93 WeakPolarHBondContact O-CB 3.35Å; L89-N93 PolarHBondContact O-N 3.41Å; L89-N93 PolarHBondContact O-ND2 3.31Å
90	I	94.2	Very high	91.1	Very high	97 Å²	97	90 Å²	90	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174.1	-69.7	161.7	0	0	0	110.3	R86 T87 N93 A94	R86-I90 HydrophobicContact CG-CD1 4.15Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.41Å; T87-I90 WeakPolarHBondContact O-CB 3.22Å; T87-I90 PolarHBondContact O-N 2.85Å; T87-I90 VanDerWaalsContact O-N 3.11Å; I90-N93 PolarHBondContact O-N 2.88Å; I90-A94 WeakPolarHBondContact O-CB 3.45Å; I90-A94 PolarHBondContact O-N 3.49Å
91	E	94	Very high	91.2	Very high	136 Å²	136	87.5 Å²	87.5	64%	0.636	46%	0.464	S	S	*	.	H	α-helix	trans	-63	-43.5	176.6	-72.3	178.4	-172.8	0	0	112.1	T87 T88 A94 L95	T87-E91 WeakPolarHBondContact O-CG 3.28Å; T87-E91 PolarHBondContact O-N 3.49Å; T88-E91 PolarHBondContact O-N 3.32Å; E91-A94 PolarHBondContact O-N 2.86Å; E91-L95 PolarHBondContact O-N 2.95Å
92	I	94.6	Very high	91.1	Very high	92 Å²	92	87.6 Å²	87.6	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-43.5	175.4	-69.1	167.7	0	0	0	110.5	T88 L89 L95 V96	T88-I92 HydrophobicContact CG2-CD1 3.99Å; T88-I92 WeakPolarHBondContact O-CB 3.25Å; T88-I92 VanDerWaalsContact O-CG1 3.25Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 3.08Å; L89-I92 PolarHBondContact O-N 3.32Å; I92-L95 WeakPolarHBondContact O-CB 3.49Å; I92-L95 PolarHBondContact O-N 3.11Å; I92-V96 HydrophobicContact CG2-CG2 4.48Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.44Å
93	N	93.4	Very high	90.8	Very high	76 Å²	76	91.1 Å²	91.1	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177.2	-74.1	-19.6	0	0	0	111.5	L89 I90 L95 V96 D97	L89-N93 VanDerWaalsContact O-CB 3.28Å; L89-N93 WeakPolarHBondContact O-CB 3.35Å; L89-N93 PolarHBondContact O-N 3.41Å; L89-N93 PolarHBondContact O-ND2 3.31Å; I90-N93 PolarHBondContact O-N 2.88Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3.32Å; N93-V96 CarbonylContact O-C 3.54Å; N93-V96 WeakPolarHBondContact O-CB 3.29Å; N93-V96 PolarHBondContact O-N 2.95Å; N93-V96 VanDerWaalsContact O-N 3.13Å; N93-D97 PolarHBondContact O-N 3.24Å
94	A	92.4	Very high	90.4	Very high	48 Å²	48	91.8 Å²	91.8	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-39.6	174.1	0	0	0	0	0	111.7	I90 E91 D97 V98	I90-A94 WeakPolarHBondContact O-CB 3.45Å; I90-A94 PolarHBondContact O-N 3.49Å; E91-A94 PolarHBondContact O-N 2.86Å; A94-D97 PolarHBondContact O-N 2.75Å; A94-V98 VanDerWaalsContact O-CG2 3.3Å; A94-V98 WeakPolarHBondContact O-CG2 3.38Å; A94-V98 PolarHBondContact O-N 2.82Å
95	L	91.9	Very high	89.7	Confident	103 Å²	103	90.4 Å²	90.4	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-42.8	172.6	178.7	65.6	0	0	0	111.7	E91 I92 N93 D97 V98 L99	E91-L95 PolarHBondContact O-N 2.95Å; I92-L95 WeakPolarHBondContact O-CB 3.49Å; I92-L95 PolarHBondContact O-N 3.11Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3.32Å; L95-D97 VanDerWaalsContact C-N 3.31Å; L95-D97 PolarHBondContact O-N 3.23Å; L95-V98 PolarHBondContact O-N 3.37Å; L95-L99 HydrophobicContact CD1-CD1 4.48Å; L95-L99 HydrophobicContact CD1-CG 4.45Å; L95-L99 HydrophobicContact CG-CD1 4.14Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3.48Å
96	V	92.3	Very high	88.8	Confident	77 Å²	77	92.9 Å²	92.9	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-41	175.2	170.9	0	0	0	0	110.8	I92 N93 L99 S100	I92-V96 HydrophobicContact CG2-CG2 4.48Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.44Å; N93-V96 CarbonylContact O-C 3.54Å; N93-V96 WeakPolarHBondContact O-CB 3.29Å; N93-V96 PolarHBondContact O-N 2.95Å; N93-V96 VanDerWaalsContact O-N 3.13Å; V96-L99 PolarHBondContact O-N 2.93Å; V96-S100 WeakPolarHBondContact O-CB 3.29Å; V96-S100 PolarHBondContact O-N 3.37Å
97	D	90.5	Very high	88	Confident	92 Å²	92	94.1 Å²	94.1	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-46.5	176.2	-67.1	-22.1	0	0	0	110.6	N93 A94 L95 L99 S100 I101	N93-D97 PolarHBondContact O-N 3.24Å; A94-D97 PolarHBondContact O-N 2.75Å; L95-D97 VanDerWaalsContact C-N 3.31Å; L95-D97 PolarHBondContact O-N 3.23Å; D97-L99 PolarHBondContact O-N 2.89Å; D97-S100 WeakPolarHBondContact O-CB 3.46Å; D97-S100 PolarHBondContact O-N 2.88Å; D97-S100 VanDerWaalsContact O-N 3.12Å; D97-S100 PolarHBondContact O-OG 3.11Å; D97-I101 VanDerWaalsContact O-CG1 3.28Å; D97-I101 WeakPolarHBondContact O-CG1 3.23Å; D97-I101 PolarHBondContact O-N 2.89Å
98	V	87.9	Confident	87.4	Confident	69 Å²	69	95.3 Å²	95.3	42%	0.418	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.1	170.3	0	0	0	0	111.3	A94 L95 S100 I101 I102	A94-V98 VanDerWaalsContact O-CG2 3.3Å; A94-V98 WeakPolarHBondContact O-CG2 3.38Å; A94-V98 PolarHBondContact O-N 2.82Å; L95-V98 PolarHBondContact O-N 3.37Å; V98-S100 VanDerWaalsContact C-N 3.29Å; V98-S100 PolarHBondContact O-N 2.85Å; V98-I101 PolarHBondContact O-N 3.32Å; V98-I102 HydrophobicContact CG1-CD1 3.69Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CD1 3.2Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.46Å; V98-I102 PolarHBondContact O-N 3.31Å
99	L	87.6	Confident	86.4	Confident	100 Å²	100	96 Å²	96	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-36.1	175.6	-72.3	170.9	0	0	0	112.1	L95 V96 D97 K103	L95-L99 HydrophobicContact CD1-CD1 4.48Å; L95-L99 HydrophobicContact CD1-CG 4.45Å; L95-L99 HydrophobicContact CG-CD1 4.14Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3.48Å; V96-L99 PolarHBondContact O-N 2.93Å; D97-L99 PolarHBondContact O-N 2.89Å; L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3.37Å
100	S	86.1	Confident	85.4	Confident	53 Å²	53	97.2 Å²	97.2	37%	0.371	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-40.5	175.9	80.5	0	0	0	0	111.8	V96 D97 V98 K103 E104	V96-S100 WeakPolarHBondContact O-CB 3.29Å; V96-S100 PolarHBondContact O-N 3.37Å; D97-S100 WeakPolarHBondContact O-CB 3.46Å; D97-S100 PolarHBondContact O-N 2.88Å; D97-S100 VanDerWaalsContact O-N 3.12Å; D97-S100 PolarHBondContact O-OG 3.11Å; V98-S100 VanDerWaalsContact C-N 3.29Å; V98-S100 PolarHBondContact O-N 2.85Å; S100-K103 WeakPolarHBondContact O-CB 3.21Å; S100-K103 PolarHBondContact O-N 3Å; S100-E104 PolarHBondContact O-N 2.95Å; S100-E104 VanDerWaalsContact O-N 3.15Å
101	I	86.3	Confident	84.5	Confident	65 Å²	65	98.5 Å²	98.5	33%	0.333	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-43.1	177.6	-66.2	164.4	0	0	0	111	D97 V98 K103 E104 G105 L108	D97-I101 VanDerWaalsContact O-CG1 3.28Å; D97-I101 WeakPolarHBondContact O-CG1 3.23Å; D97-I101 PolarHBondContact O-N 2.89Å; V98-I101 PolarHBondContact O-N 3.32Å; I101-K103 VanDerWaalsContact C-N 3.29Å; I101-K103 PolarHBondContact O-N 3.29Å; I101-E104 PolarHBondContact O-N 2.68Å; I101-G105 PolarHBondContact O-N 2.9Å; I101-L108 HydrophobicContact CG2-CB 3.74Å
102	I	84.7	Confident	83.6	Confident	57 Å²	57	98.2 Å²	98.2	29%	0.292	53%	0.534	S	S	.	.	H	α-helix	trans	-59.9	-42	174.7	-69.2	158.8	0	0	0	110.3	V98 E104 G105 L108 I110	V98-I102 HydrophobicContact CG1-CD1 3.69Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CD1 3.2Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.46Å; V98-I102 PolarHBondContact O-N 3.31Å; I102-E104 VanDerWaalsContact C-N 3.34Å; I102-E104 PolarHBondContact O-N 2.86Å; I102-G105 PolarHBondContact O-N 3.24Å; I102-L108 HydrophobicContact CD1-CD2 4.18Å; I102-L108 HydrophobicContact CG1-CD2 3.53Å; I102-I110 HydrophobicContact CB-CD1 4.44Å; I102-I110 HydrophobicContact CD1-CD1 3.85Å; I102-I110 HydrophobicContact CG1-CD1 3.92Å; I102-I110 HydrophobicContact CG1-CG1 4.31Å; I102-I110 HydrophobicContact CG2-CD1 3.59Å; I102-I110 HydrophobicContact CG2-CG1 4.33Å
103	K	84	Confident	82.3	Confident	189 Å²	189	99.9 Å²	99.9	82%	0.822	55%	0.548	S	S	*	.	H	α-helix	trans	-64	-35.4	179.8	-176.4	-176.1	175.2	-174.2	0	112.8	L99 S100 I101	L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3.37Å; S100-K103 WeakPolarHBondContact O-CB 3.21Å; S100-K103 PolarHBondContact O-N 3Å; I101-K103 VanDerWaalsContact C-N 3.29Å; I101-K103 PolarHBondContact O-N 3.29Å
104	E	80.9	Confident	80.7	Confident	114 Å²	114	100.3 Å²	100.3	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-74.4	-24.2	178.1	-70.7	-170.2	178.2	0	0	113.4	S100 I101 I102 K106	S100-E104 PolarHBondContact O-N 2.95Å; S100-E104 VanDerWaalsContact O-N 3.15Å; I101-E104 PolarHBondContact O-N 2.68Å; I102-E104 VanDerWaalsContact C-N 3.34Å; I102-E104 PolarHBondContact O-N 2.86Å; E104-K106 PolarHBondContact O-N 3.27Å
105	G	75.1	Confident	79.2	Confident	52 Å²	52	105.7 Å²	105.7	54%	0.536	58%	0.584	S	S	.	*			trans	64.7	0.6	177.2	0	0	0	0	0	115.7	I101 I102	I101-G105 PolarHBondContact O-N 2.9Å; I102-G105 PolarHBondContact O-N 3.24Å
106	K	73.6	Confident	77.4	Confident	163 Å²	163	107.8 Å²	107.8	71%	0.709	60%	0.596	S	S	*	*	S	Bend	trans	-85.6	-30.3	-176.7	-70.2	176.3	-174.7	172.5	0	113.8	E104	E104-K106 PolarHBondContact O-N 3.27Å
107	Y	76.8	Confident	75.5	Confident	176 Å²	176	109.1 Å²	109.1	69%	0.69	61%	0.609	S	S	*	*	S	Bend	trans	-118.6	-23.4	-168.4	-53.9	-75.6	0	0	0	113.6
108	L	79.5	Confident	74	Confident	83 Å²	83	112.6 Å²	112.6	44%	0.435	62%	0.622	S	S	.	*			trans	-136.4	122.7	176.9	-160.8	91.5	0	0	0	109.1	I101 I102	I101-L108 HydrophobicContact CG2-CB 3.74Å; I102-L108 HydrophobicContact CD1-CD2 4.18Å; I102-L108 HydrophobicContact CG1-CD2 3.53Å
109	A	73.7	Confident	72.4	Confident	79 Å²	79	118.3 Å²	118.3	65%	0.653	64%	0.644	S	S	*	*			trans	-108.6	120.9	171.3	0	0	0	0	0	108.6	N111	A109-N111 PolarHBondContact O-N 3.25Å
110	I	74.8	Confident	71.1	Confident	120 Å²	120	117.6 Å²	117.6	62%	0.615	64%	0.644	S	S	*	*			trans	-81.9	103.1	172.5	-57.3	175.3	0	0	0	106.9	I102	I102-I110 HydrophobicContact CB-CD1 4.44Å; I102-I110 HydrophobicContact CD1-CD1 3.85Å; I102-I110 HydrophobicContact CG1-CD1 3.92Å; I102-I110 HydrophobicContact CG1-CG1 4.31Å; I102-I110 HydrophobicContact CG2-CD1 3.59Å; I102-I110 HydrophobicContact CG2-CG1 4.33Å
111	N	75.1	Confident	70.4	Confident	124 Å²	124	119.9 Å²	119.9	66%	0.663	65%	0.652	S	S	*	*			trans	-88.3	131.1	170.5	-70.8	-27	0	0	0	108.8	A109 V113	A109-N111 PolarHBondContact O-N 3.25Å; N111-V113 PolarHBondContact O-N 2.9Å
112	P	74	Confident	69.9	Low	130 Å²	130	122.3 Å²	122.3	84%	0.844	67%	0.665	S	S	*	*			trans	-64.5	108.7	173.1	26.6	-32	0	0	0	108.8
113	V	68.5	Low	69.7	Low	127 Å²	127	123.3 Å²	123.3	77%	0.77	68%	0.678	S	S	*	*			trans	-91.5	138.1	166.8	-177.9	0	0	0	0	106.6	N111 D115	N111-V113 PolarHBondContact O-N 2.9Å; V113-D115 PolarHBondContact O-N 3.39Å
114	A	59.1	Low	69.6	Low	85 Å²	85	119.6 Å²	119.6	70%	0.702	67%	0.666	S	S	*	*			trans	-55.2	134.5	176.8	0	0	0	0	0	109.9	D116	A114-D116 PolarHBondContact O-N 3.35Å
115	D	60.2	Low	69.6	Low	162 Å²	162	121.2 Å²	121.2	87%	0.866	67%	0.668	S	S	*	*			trans	-58.1	102.7	173.6	-100	-22.1	0	0	0	108.4	V113 S117	V113-D115 PolarHBondContact O-N 3.39Å; D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 3.28Å
116	D	54.3	Low	70.1	Confident	146 Å²	146	123.7 Å²	123.7	78%	0.781	67%	0.669	S	S	*	*			trans	-63.7	102.6	156.4	-78.7	-26.3	0	0	0	104.9	A114 Q118	A114-D116 PolarHBondContact O-N 3.35Å; D116-Q118 PolarHBondContact O-N 3.33Å
117	S	53.7	Low	70.6	Confident	106 Å²	106	119 Å²	119	74%	0.741	66%	0.656	S	S	*	*			trans	-64.3	78.2	179.5	60.2	0	0	0	0	109.4	D115 E119	D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 3.28Å; S117-E119 PolarHBondContact O-N 3.4Å
118	Q	58.6	Low	71.1	Confident	164 Å²	164	112.4 Å²	112.4	77%	0.766	64%	0.642	S	S	*	*			trans	-61.9	105.9	161.1	-74.1	-171.4	-14.6	0	0	105	D116 T120	D116-Q118 PolarHBondContact O-N 3.33Å; Q118-T120 HydrophobicContact CB-CG2 4.48Å; Q118-T120 PolarHBondContact O-N 2.83Å
119	E	53.4	Low	71.6	Confident	189 Å²	189	115.1 Å²	115.1	88%	0.883	65%	0.65	S	S	*	*			trans	-60.1	75.3	168	-73	-174.4	158.4	0	0	108.3	S117 N121	S117-E119 PolarHBondContact O-N 3.4Å; E119-N121 PolarHBondContact O-N 3.48Å; E119-N121 VanDerWaalsContact O-N 3.12Å
120	T	61.4	Low	72.5	Confident	85 Å²	85	119.2 Å²	119.2	52%	0.521	65%	0.653	S	S	.	*			trans	-64.5	116.1	169.5	48.7	0	0	0	0	105.2	Q118 L122	Q118-T120 HydrophobicContact CB-CG2 4.48Å; Q118-T120 PolarHBondContact O-N 2.83Å; T120-L122 PolarHBondContact O-N 2.91Å
121	N	71.1	Confident	73.3	Confident	102 Å²	102	123 Å²	123	55%	0.545	66%	0.66	S	S	.	*			trans	-69	77.4	-176.3	-133.2	-37.3	0	0	0	108	E119 S123 L124 Y125	E119-N121 PolarHBondContact O-N 3.48Å; E119-N121 VanDerWaalsContact O-N 3.12Å; N121-S123 PolarHBondContact O-N 2.98Å; N121-S123 VanDerWaalsContact O-N 3.14Å; N121-S123 PolarHBondContact OD1-OG 2.86Å; N121-S123 VanDerWaalsContact OD1-OG 3.07Å; N121-L124 HydrophobicContact CB-CB 3.93Å; N121-L124 WeakPolarHBondContact O-CA 3.4Å; N121-L124 WeakPolarHBondContact O-CB 3.49Å; N121-L124 PolarHBondContact O-N 3.1Å; N121-Y125 WeakPolarHBondContact O-CD2 3.24Å; N121-Y125 PolarHBondContact O-N 3.01Å
122	L	76.4	Confident	74	Confident	115 Å²	115	120.5 Å²	120.5	60%	0.602	65%	0.652	S	S	*	*	H	α-helix	trans	-57.4	-33.6	-171.7	-174.3	68.8	0	0	0	110.8	T120 L124 Y125 L126	T120-L122 PolarHBondContact O-N 2.91Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.81Å; L122-Y125 PolarHBondContact O-N 3.31Å; L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 HydrophobicContact CG-CG 4.47Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.31Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.99Å
123	S	78.9	Confident	74.9	Confident	79 Å²	79	120 Å²	120	55%	0.552	64%	0.641	S	S	*	*	H	α-helix	trans	-57.2	-43.4	171.5	59.8	0	0	0	0	112.2	N121 S127	N121-S123 PolarHBondContact O-N 2.98Å; N121-S123 VanDerWaalsContact O-N 3.14Å; N121-S123 PolarHBondContact OD1-OG 2.86Å; N121-S123 VanDerWaalsContact OD1-OG 3.07Å; S123-S127 VanDerWaalsContact O-CB 3.24Å; S123-S127 WeakPolarHBondContact O-CB 3.29Å; S123-S127 PolarHBondContact O-N 3.29Å; S123-S127 PolarHBondContact O-OG 3.29Å
124	L	82.2	Confident	76.1	Confident	111 Å²	111	116.5 Å²	116.5	58%	0.581	63%	0.625	S	S	*	*	H	α-helix	trans	-64.3	-49.8	177.3	-165.3	94.9	0	0	0	110.6	N121 L122 L126 S127 G128	N121-L124 HydrophobicContact CB-CB 3.93Å; N121-L124 WeakPolarHBondContact O-CA 3.4Å; N121-L124 WeakPolarHBondContact O-CB 3.49Å; N121-L124 PolarHBondContact O-N 3.1Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.81Å; L124-L126 PolarHBondContact O-N 2.8Å; L124-S127 PolarHBondContact O-N 3.05Å; L124-S127 PolarHBondContact O-OG 3.02Å; L124-G128 PolarHBondContact O-N 2.88Å
125	Y	80.8	Confident	77.7	Confident	148 Å²	148	114.8 Å²	114.8	58%	0.58	61%	0.611	S	S	*	*	H	α-helix	trans	-61.6	-43	179	-73	-74.9	0	0	0	112.9	N121 L122 G128 K129	N121-Y125 WeakPolarHBondContact O-CD2 3.24Å; N121-Y125 PolarHBondContact O-N 3.01Å; L122-Y125 PolarHBondContact O-N 3.31Å; Y125-G128 PolarHBondContact O-N 2.95Å; Y125-K129 PolarHBondContact O-N 3.47Å
126	L	85.2	Confident	79.4	Confident	104 Å²	104	109.4 Å²	109.4	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-66.6	-38.4	176.4	-70.6	175.8	0	0	0	111.7	L122 L124 K129 K130	L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 HydrophobicContact CG-CG 4.47Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.31Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.99Å; L124-L126 PolarHBondContact O-N 2.8Å; L126-K129 PolarHBondContact O-N 2.95Å; L126-K130 WeakPolarHBondContact O-CB 3.37Å; L126-K130 PolarHBondContact O-N 2.82Å
127	S	85.4	Confident	81.3	Confident	63 Å²	63	104.7 Å²	104.7	44%	0.441	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-38.6	175.7	76.8	0	0	0	0	112.2	S123 L124 K130 R131	S123-S127 VanDerWaalsContact O-CB 3.24Å; S123-S127 WeakPolarHBondContact O-CB 3.29Å; S123-S127 PolarHBondContact O-N 3.29Å; S123-S127 PolarHBondContact O-OG 3.29Å; L124-S127 PolarHBondContact O-N 3.05Å; L124-S127 PolarHBondContact O-OG 3.02Å; S127-K130 PolarHBondContact O-N 2.94Å; S127-R131 WeakPolarHBondContact O-CB 3.35Å; S127-R131 PolarHBondContact O-N 2.96Å
128	G	87	Confident	83.2	Confident	38 Å²	38	104.3 Å²	104.3	39%	0.392	56%	0.56	S	S	.	*	H	α-helix	trans	-63.4	-48.9	173.5	0	0	0	0	0	112.5	L124 Y125 K130 R131 S132	L124-G128 PolarHBondContact O-N 2.88Å; Y125-G128 PolarHBondContact O-N 2.95Å; G128-K130 PolarHBondContact O-N 2.82Å; G128-R131 PolarHBondContact O-N 3.5Å; G128-S132 PolarHBondContact O-N 2.8Å; G128-S132 PolarHBondContact O-OG 3.35Å
129	K	90.6	Very high	84.9	Confident	141 Å²	141	102.1 Å²	102.1	61%	0.613	55%	0.553	S	S	*	*	H	α-helix	trans	-61.7	-40.6	175.4	-75.7	-173.2	177.1	-176.7	0	112.6	Y125 L126 R131 S132 I133	Y125-K129 PolarHBondContact O-N 3.47Å; L126-K129 PolarHBondContact O-N 2.95Å; K129-R131 VanDerWaalsContact C-N 3.33Å; K129-R131 PolarHBondContact O-N 2.71Å; K129-S132 WeakPolarHBondContact CA-OG 3.41Å; K129-S132 PolarHBondContact O-N 3.08Å; K129-S132 PolarHBondContact O-OG 3.33Å; K129-I133 WeakPolarHBondContact O-CB 3.43Å; K129-I133 VanDerWaalsContact O-CG1 3.27Å; K129-I133 WeakPolarHBondContact O-CG1 3.43Å; K129-I133 PolarHBondContact O-N 2.9Å
130	K	91.7	Very high	86.8	Confident	165 Å²	165	99.4 Å²	99.4	72%	0.717	54%	0.544	S	S	*	.	H	α-helix	trans	-61.6	-43.3	175.4	-176.4	-179.1	177.4	-177.9	0	111.1	L126 S127 G128 A134	L126-K130 WeakPolarHBondContact O-CB 3.37Å; L126-K130 PolarHBondContact O-N 2.82Å; S127-K130 PolarHBondContact O-N 2.94Å; G128-K130 PolarHBondContact O-N 2.82Å; K130-A134 WeakPolarHBondContact O-CB 3.47Å; K130-A134 PolarHBondContact O-N 3.31Å
131	R	91	Very high	88.4	Confident	200 Å²	200	100.5 Å²	100.5	76%	0.755	54%	0.544	S	S	*	.	H	α-helix	trans	-65.6	-41.4	177.9	-171.1	-178.8	-73.1	165.3	-2.7	111.7	S127 G128 K129 A134 A135	S127-R131 WeakPolarHBondContact O-CB 3.35Å; S127-R131 PolarHBondContact O-N 2.96Å; G128-R131 PolarHBondContact O-N 3.5Å; K129-R131 VanDerWaalsContact C-N 3.33Å; K129-R131 PolarHBondContact O-N 2.71Å; R131-A134 PolarHBondContact O-N 2.79Å; R131-A135 WeakPolarHBondContact O-CB 3.31Å; R131-A135 PolarHBondContact O-N 3.43Å
132	S	90.2	Very high	89.4	Confident	71 Å²	71	101.3 Å²	101.3	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-40.3	178.6	66.7	0	0	0	0	112.9	G128 K129 A135 A136	G128-S132 PolarHBondContact O-N 2.8Å; G128-S132 PolarHBondContact O-OG 3.35Å; K129-S132 WeakPolarHBondContact CA-OG 3.41Å; K129-S132 PolarHBondContact O-N 3.08Å; K129-S132 PolarHBondContact O-OG 3.33Å; S132-A135 PolarHBondContact O-N 3.13Å; S132-A136 PolarHBondContact O-N 3.39Å
133	I	92.8	Very high	90.1	Very high	120 Å²	120	97.5 Å²	97.5	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-65.3	-42.3	175.3	-67.5	167.7	0	0	0	111	K129 A135 A136 A137	K129-I133 WeakPolarHBondContact O-CB 3.43Å; K129-I133 VanDerWaalsContact O-CG1 3.27Å; K129-I133 WeakPolarHBondContact O-CG1 3.43Å; K129-I133 PolarHBondContact O-N 2.9Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.37Å; I133-A136 PolarHBondContact O-N 2.89Å; I133-A137 PolarHBondContact O-N 3.15Å
134	A	93.3	Very high	90.8	Very high	53 Å²	53	95.5 Å²	95.5	44%	0.438	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.2	0	0	0	0	0	111.5	K130 R131 A136 A137 D138	K130-A134 WeakPolarHBondContact O-CB 3.47Å; K130-A134 PolarHBondContact O-N 3.31Å; R131-A134 PolarHBondContact O-N 2.79Å; A134-A136 PolarHBondContact O-N 3.07Å; A134-A137 PolarHBondContact O-N 3.44Å; A134-D138 PolarHBondContact O-N 3.01Å
135	A	94.2	Very high	91	Very high	48 Å²	48	93.9 Å²	93.9	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.1	0	0	0	0	0	112.5	R131 S132 I133 D138 I139	R131-A135 WeakPolarHBondContact O-CB 3.31Å; R131-A135 PolarHBondContact O-N 3.43Å; S132-A135 PolarHBondContact O-N 3.13Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.37Å; A135-D138 PolarHBondContact O-N 3.38Å; A135-I139 VanDerWaalsContact O-CG1 3.32Å; A135-I139 WeakPolarHBondContact O-CG1 3.27Å; A135-I139 PolarHBondContact O-N 3.02Å; A135-I139 VanDerWaalsContact O-N 3.11Å
136	A	94.5	Very high	91.2	Very high	49 Å²	49	95.2 Å²	95.2	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-42	176.2	0	0	0	0	0	112.4	S132 I133 A134 I139 L140	S132-A136 PolarHBondContact O-N 3.39Å; I133-A136 PolarHBondContact O-N 2.89Å; A134-A136 PolarHBondContact O-N 3.07Å; A136-I139 PolarHBondContact O-N 2.99Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.25Å; A136-L140 VanDerWaalsContact O-N 3.08Å
137	A	94.7	Very high	91.2	Very high	48 Å²	48	96.4 Å²	96.4	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-43.3	176.1	0	0	0	0	0	112	I133 A134 I139 L140 M141	I133-A137 PolarHBondContact O-N 3.15Å; A134-A137 PolarHBondContact O-N 3.44Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.46Å; A137-L140 PolarHBondContact O-N 2.9Å; A137-M141 WeakPolarHBondContact O-CB 3.47Å; A137-M141 WeakPolarHBondContact O-CG 3.31Å; A137-M141 PolarHBondContact O-N 3.19Å
138	D	94.3	Very high	91.1	Very high	98 Å²	98	101 Å²	101	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-40.4	176.3	-82.9	-5.7	0	0	0	112.4	A134 A135 K142	A134-D138 PolarHBondContact O-N 3.01Å; A135-D138 PolarHBondContact O-N 3.38Å; D138-K142 WeakPolarHBondContact O-CB 3.34Å; D138-K142 WeakPolarHBondContact O-CG 3.13Å; D138-K142 PolarHBondContact O-N 3.43Å
139	I	94.1	Very high	90.7	Very high	118 Å²	118	104.8 Å²	104.8	61%	0.605	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-46.2	177	-68.2	165.3	0	0	0	110.8	A135 A136 A137 K142 G143	A135-I139 VanDerWaalsContact O-CG1 3.32Å; A135-I139 WeakPolarHBondContact O-CG1 3.27Å; A135-I139 PolarHBondContact O-N 3.02Å; A135-I139 VanDerWaalsContact O-N 3.11Å; A136-I139 PolarHBondContact O-N 2.99Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 3.46Å; I139-K142 PolarHBondContact O-N 2.89Å; I139-G143 PolarHBondContact O-N 3.5Å
140	L	94.3	Very high	89.9	Confident	132 Å²	132	105.8 Å²	105.8	69%	0.691	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-42.2	179.4	-70.5	174.5	0	0	0	112	A136 A137 G143 A144	A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.25Å; A136-L140 VanDerWaalsContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 2.9Å; L140-G143 PolarHBondContact O-N 2.77Å; L140-A144 PolarHBondContact O-N 3.5Å
141	M	93.6	Very high	89	Confident	107 Å²	107	102.6 Å²	102.6	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-45.2	175.8	-74.1	-62.2	-65.8	0	0	111.7	A137 G143 A144 E145	A137-M141 WeakPolarHBondContact O-CB 3.47Å; A137-M141 WeakPolarHBondContact O-CG 3.31Å; A137-M141 PolarHBondContact O-N 3.19Å; M141-G143 VanDerWaalsContact C-N 3.27Å; M141-G143 PolarHBondContact O-N 2.98Å; M141-A144 PolarHBondContact O-N 2.97Å; M141-E145 WeakPolarHBondContact O-CG 3.27Å; M141-E145 PolarHBondContact O-N 3.15Å
142	K	93.1	Very high	88	Confident	119 Å²	119	96 Å²	96	52%	0.517	50%	0.501	S	S	.	.	H	α-helix	trans	-58.5	-39.1	173	-75.5	171	-176.2	172.7	0	111.9	D138 I139 R146	D138-K142 WeakPolarHBondContact O-CB 3.34Å; D138-K142 WeakPolarHBondContact O-CG 3.13Å; D138-K142 PolarHBondContact O-N 3.43Å; I139-K142 PolarHBondContact O-N 2.89Å; K142-R146 WeakPolarHBondContact O-CB 3.46Å; K142-R146 VanDerWaalsContact O-CG 3.29Å; K142-R146 WeakPolarHBondContact O-CG 3.42Å; K142-R146 PolarHBondContact O-N 3.45Å
143	G	91	Very high	86.9	Confident	36 Å²	36	98 Å²	98	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-47.5	174.7	0	0	0	0	0	113.1	I139 L140 M141 E145 R146 L147	I139-G143 PolarHBondContact O-N 3.5Å; L140-G143 PolarHBondContact O-N 2.77Å; M141-G143 VanDerWaalsContact C-N 3.27Å; M141-G143 PolarHBondContact O-N 2.98Å; G143-E145 PolarHBondContact O-N 2.79Å; G143-R146 PolarHBondContact O-N 3.29Å; G143-L147 PolarHBondContact O-N 2.67Å
144	A	92.3	Very high	85.6	Confident	37 Å²	37	97.5 Å²	97.5	31%	0.306	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-41.2	177.1	0	0	0	0	0	112.2	L140 M141 L147 R148	L140-A144 PolarHBondContact O-N 3.5Å; M141-A144 PolarHBondContact O-N 2.97Å; A144-L147 PolarHBondContact O-N 2.77Å; A144-R148 PolarHBondContact O-N 3.4Å
145	E	87.7	Confident	84	Confident	76 Å²	76	97.4 Å²	97.4	36%	0.355	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-41.7	174.9	-72.4	179.5	-178.2	0	0	112.5	M141 G143 L147 R148 R149	M141-E145 WeakPolarHBondContact O-CG 3.27Å; M141-E145 PolarHBondContact O-N 3.15Å; G143-E145 PolarHBondContact O-N 2.79Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.02Å; E145-R148 PolarHBondContact O-N 2.96Å; E145-R149 WeakPolarHBondContact O-CB 3.46Å; E145-R149 WeakPolarHBondContact O-CG 3.29Å; E145-R149 PolarHBondContact O-N 2.92Å; E145-R149 IonicContact OE2-CZ 3.5Å; E145-R149 IonicContact OE2-NH1 2.76Å; E145-R149 IonicContact OE2-NH2 3.31Å; E145-R149 PolarHBondContact OE2-NH2 3.36Å
146	R	83.9	Confident	82.4	Confident	177 Å²	177	98.3 Å²	98.3	67%	0.668	49%	0.49	S	S	*	.	H	α-helix	trans	-59.4	-39.4	173.6	-78.3	174.2	179.3	164	-0.7	111.6	K142 G143 R149 R150	K142-R146 WeakPolarHBondContact O-CB 3.46Å; K142-R146 VanDerWaalsContact O-CG 3.29Å; K142-R146 WeakPolarHBondContact O-CG 3.42Å; K142-R146 PolarHBondContact O-N 3.45Å; G143-R146 PolarHBondContact O-N 3.29Å; R146-R149 PolarHBondContact O-N 3Å; R146-R150 VanDerWaalsContact O-CB 3.31Å; R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 PolarHBondContact O-N 3.26Å
147	L	85.4	Confident	80.8	Confident	128 Å²	128	97.6 Å²	97.6	67%	0.67	49%	0.485	S	S	*	.	H	α-helix	trans	-68.8	-41	178.5	-165.4	136.4	0	0	0	112.1	G143 A144 E145 H151	G143-L147 PolarHBondContact O-N 2.67Å; A144-L147 PolarHBondContact O-N 2.77Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.02Å; L147-H151 WeakPolarHBondContact O-CB 3.45Å; L147-H151 PolarHBondContact O-N 2.99Å
148	R	83.7	Confident	78.8	Confident	159 Å²	159	99.1 Å²	99.1	60%	0.6	48%	0.48	S	S	*	.	H	α-helix	trans	-66.1	-42.2	173	-70.3	-174.2	-164.1	127.9	2	112.8	A144 E145 H151 S152	A144-R148 PolarHBondContact O-N 3.4Å; E145-R148 PolarHBondContact O-N 2.96Å; R148-H151 PolarHBondContact O-N 2.87Å; R148-S152 WeakPolarHBondContact O-CB 3.47Å; R148-S152 PolarHBondContact O-N 3.29Å; R148-S152 PolarHBondContact O-OG 3.48Å
149	R	78	Confident	76.9	Confident	119 Å²	119	96.4 Å²	96.4	45%	0.449	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-47.8	174.6	-74	-174.4	-155.7	96.4	4.4	110.4	E145 R146 H151 S152 E153	E145-R149 WeakPolarHBondContact O-CB 3.46Å; E145-R149 WeakPolarHBondContact O-CG 3.29Å; E145-R149 PolarHBondContact O-N 2.92Å; E145-R149 IonicContact OE2-CZ 3.5Å; E145-R149 IonicContact OE2-NH1 2.76Å; E145-R149 IonicContact OE2-NH2 3.31Å; E145-R149 PolarHBondContact OE2-NH2 3.36Å; R146-R149 PolarHBondContact O-N 3Å; R149-H151 VanDerWaalsContact C-N 3.31Å; R149-H151 PolarHBondContact O-N 3.32Å; R149-S152 CarbonylContact O-C 3.58Å; R149-S152 PolarHBondContact O-N 2.98Å; R149-S152 VanDerWaalsContact O-N 3.08Å; R149-E153 WeakPolarHBondContact O-CB 3.13Å; R149-E153 VanDerWaalsContact O-CG 3.27Å; R149-E153 WeakPolarHBondContact O-CG 3.29Å; R149-E153 PolarHBondContact O-N 3.21Å
150	R	74.5	Confident	75	Confident	161 Å²	161	100.3 Å²	100.3	61%	0.608	47%	0.474	S	S	*	.	H	α-helix	trans	-59.5	-41	176.3	-168.8	178.7	-176.8	162.4	2	112.3	R146 E153 L154	R146-R150 VanDerWaalsContact O-CB 3.31Å; R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 PolarHBondContact O-N 3.26Å; R150-E153 PolarHBondContact O-N 2.91Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.27Å; R150-L154 WeakPolarHBondContact O-CG 3.24Å; R150-L154 PolarHBondContact O-N 2.98Å
151	H	71.9	Confident	73	Confident	99 Å²	99	103.1 Å²	103.1	46%	0.458	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-43	174.5	-172.4	71.5	0	0	0	111.7	L147 R148 R149 L154 I155	L147-H151 WeakPolarHBondContact O-CB 3.45Å; L147-H151 PolarHBondContact O-N 2.99Å; R148-H151 PolarHBondContact O-N 2.87Å; R149-H151 VanDerWaalsContact C-N 3.31Å; R149-H151 PolarHBondContact O-N 3.32Å; H151-L154 PolarHBondContact O-N 3.37Å; H151-I155 WeakPolarHBondContact O-CD1 3.2Å; H151-I155 VanDerWaalsContact O-CG1 3.29Å; H151-I155 WeakPolarHBondContact O-CG1 3.43Å; H151-I155 PolarHBondContact O-N 2.91Å
152	S	71.1	Confident	71	Confident	60 Å²	60	101.5 Å²	101.5	42%	0.42	48%	0.475	S	S	.	.	H	α-helix	trans	-70.1	-38.8	177.6	-49.9	0	0	0	0	112.3	R148 R149 I155 D156	R148-S152 WeakPolarHBondContact O-CB 3.47Å; R148-S152 PolarHBondContact O-N 3.29Å; R148-S152 PolarHBondContact O-OG 3.48Å; R149-S152 CarbonylContact O-C 3.58Å; R149-S152 PolarHBondContact O-N 2.98Å; R149-S152 VanDerWaalsContact O-N 3.08Å; S152-I155 CarbonylContact O-C 3.55Å; S152-I155 WeakPolarHBondContact O-CB 3.4Å; S152-I155 PolarHBondContact O-N 3.44Å; S152-I155 VanDerWaalsContact O-N 3.15Å; S152-D156 WeakPolarHBondContact O-CB 3.4Å; S152-D156 PolarHBondContact O-N 3.41Å
153	E	65.8	Low	68.6	Low	114 Å²	114	102.4 Å²	102.4	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-38.9	175.5	-76.5	167	-165.6	0	0	111.4	R149 R150 I155 D156 A157	R149-E153 WeakPolarHBondContact O-CB 3.13Å; R149-E153 VanDerWaalsContact O-CG 3.27Å; R149-E153 WeakPolarHBondContact O-CG 3.29Å; R149-E153 PolarHBondContact O-N 3.21Å; R150-E153 PolarHBondContact O-N 2.91Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-D156 PolarHBondContact O-N 3.4Å; E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.96Å
154	L	66.3	Low	66.5	Low	110 Å²	110	106.8 Å²	106.8	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-37.7	172.4	-75.2	170.4	0	0	0	111.5	R150 H151 R158	R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.27Å; R150-L154 WeakPolarHBondContact O-CG 3.24Å; R150-L154 PolarHBondContact O-N 2.98Å; H151-L154 PolarHBondContact O-N 3.37Å; L154-R158 VanDerWaalsContact O-CB 3.3Å; L154-R158 WeakPolarHBondContact O-CB 3.44Å; L154-R158 PolarHBondContact O-N 2.78Å
155	I	60.4	Low	64.6	Low	51 Å²	51	112.7 Å²	112.7	26%	0.262	54%	0.536	S	S	.	.	H	α-helix	trans	-68.4	-47.4	174	-64.8	163.3	0	0	0	110.6	H151 S152 E153 R158 V159	H151-I155 WeakPolarHBondContact O-CD1 3.2Å; H151-I155 VanDerWaalsContact O-CG1 3.29Å; H151-I155 WeakPolarHBondContact O-CG1 3.43Å; H151-I155 PolarHBondContact O-N 2.91Å; S152-I155 CarbonylContact O-C 3.55Å; S152-I155 WeakPolarHBondContact O-CB 3.4Å; S152-I155 PolarHBondContact O-N 3.44Å; S152-I155 VanDerWaalsContact O-N 3.15Å; E153-I155 VanDerWaalsContact C-N 3.3Å; I155-R158 WeakPolarHBondContact O-CA 3.44Å; I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.29Å; I155-R158 PolarHBondContact O-N 2.85Å; I155-R158 VanDerWaalsContact O-N 3.14Å; I155-V159 HydrophobicContact CG2-CG2 4.5Å; I155-V159 WeakPolarHBondContact O-CG2 3.16Å; I155-V159 PolarHBondContact O-N 3.22Å
156	D	60.6	Low	62.7	Low	66 Å²	66	114.8 Å²	114.8	35%	0.353	55%	0.553	S	S	.	*	H	α-helix	trans	-67.8	-38.3	-178.7	-86	-4.5	0	0	0	113	S152 E153 R158 V159 R160	S152-D156 WeakPolarHBondContact O-CB 3.4Å; S152-D156 PolarHBondContact O-N 3.41Å; E153-D156 PolarHBondContact O-N 3.4Å; D156-R158 PolarHBondContact O-N 3.28Å; D156-V159 PolarHBondContact O-N 3.34Å; D156-R160 WeakPolarHBondContact O-CB 3.49Å; D156-R160 PolarHBondContact O-N 2.84Å
157	A	59.7	Low	60.7	Low	35 Å²	35	111.4 Å²	111.4	29%	0.289	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-31.5	173.4	0	0	0	0	0	111.1	E153 R161	E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.96Å; A157-R161 WeakPolarHBondContact O-CG 3.43Å
158	R	54	Low	58.7	Low	79 Å²	79	108.9 Å²	108.9	30%	0.298	55%	0.545	S	S	.	.	H	α-helix	trans	-74	-41.8	175.7	-165.7	-179.1	-75.6	-172.7	-11	111.5	L154 I155 D156 S162 E220	L154-R158 VanDerWaalsContact O-CB 3.3Å; L154-R158 WeakPolarHBondContact O-CB 3.44Å; L154-R158 PolarHBondContact O-N 2.78Å; I155-R158 WeakPolarHBondContact O-CA 3.44Å; I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.29Å; I155-R158 PolarHBondContact O-N 2.85Å; I155-R158 VanDerWaalsContact O-N 3.14Å; D156-R158 PolarHBondContact O-N 3.28Å; R158-S162 PolarHBondContact O-N 2.68Å; R158-S162 PolarHBondContact O-OG 3.41Å; R158-E220 IonicContact CZ-OE1 2.86Å; R158-E220 VanDerWaalsContact CZ-OE1 3.24Å; R158-E220 IonicContact NH1-OE1 3.84Å; R158-E220 PolarHBondContact NH1-OE1 2.92Å; R158-E220 IonicContact NH2-OE1 3.89Å; R158-E220 PolarHBondContact NH2-OE1 2.83Å; R158-E220 IonicContact NH2-OE2 3.44Å
159	V	53.4	Low	56.6	Low	42 Å²	42	108.6 Å²	108.6	26%	0.255	55%	0.551	S	S	.	*	H	α-helix	trans	-69.3	-41.6	177.3	173.5	0	0	0	0	112.4	I155 D156 R161 S162 P168	I155-V159 HydrophobicContact CG2-CG2 4.5Å; I155-V159 WeakPolarHBondContact O-CG2 3.16Å; I155-V159 PolarHBondContact O-N 3.22Å; D156-V159 PolarHBondContact O-N 3.34Å; V159-R161 PolarHBondContact O-N 3.14Å; V159-S162 PolarHBondContact O-N 3.29Å; V159-S162 PolarHBondContact O-OG 3.15Å; V159-P168 HydrophobicContact CG1-CB 4.46Å
160	R	54.8	Low	54.9	Low	199 Å²	199	109.4 Å²	109.4	75%	0.751	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-19.7	-180	-80.6	-175.4	-89.3	170.8	-11	114.1	D156	D156-R160 WeakPolarHBondContact O-CB 3.49Å; D156-R160 PolarHBondContact O-N 2.84Å
161	R	52.7	Low	53.4	Low	192 Å²	192	107.8 Å²	107.8	73%	0.725	56%	0.561	S	S	*	*	H	α-helix	trans	-102.1	-11.6	-179.2	-67.7	179	-173.5	163.4	1.4	113.3	A157 V159 N163	A157-R161 WeakPolarHBondContact O-CG 3.43Å; V159-R161 PolarHBondContact O-N 3.14Å; R161-N163 PolarHBondContact O-N 3.41Å
162	S	50.1	Low	52.3	Low	72 Å²	72	107.3 Å²	107.3	50%	0.503	56%	0.562	S	S	.	*	S	Bend	trans	-89.9	94.5	170.6	63.9	0	0	0	0	110.6	R158 V159	R158-S162 PolarHBondContact O-N 2.68Å; R158-S162 PolarHBondContact O-OG 3.41Å; V159-S162 PolarHBondContact O-N 3.29Å; V159-S162 PolarHBondContact O-OG 3.15Å
163	N	44.4	Very low	51.3	Low	139 Å²	139	108 Å²	108	74%	0.743	56%	0.564	S	S	*	*			trans	39.7	105.4	164.3	-70.1	-19.4	0	0	0	118.4	R161 L165	R161-N163 PolarHBondContact O-N 3.41Å; N163-L165 PolarHBondContact O-N 3.39Å
164	S	45.6	Very low	50.5	Low	127 Å²	127	107 Å²	107	89%	0.888	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	24.1	174.9	-173.9	0	0	0	0	116.9
165	L	52.4	Low	49.9	Very low	161 Å²	161	105.8 Å²	105.8	84%	0.843	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	4.9	-176.5	-86.3	112.1	0	0	0	115.6	N163	N163-L165 PolarHBondContact O-N 3.39Å
166	V	47.8	Very low	50.1	Low	120 Å²	120	105 Å²	105	73%	0.727	55%	0.553	S	S	*	*	S	Bend	trans	-131	126.1	177.1	-173	0	0	0	0	110.3
167	P	42.9	Very low	50.8	Low	106 Å²	106	103.4 Å²	103.4	69%	0.688	54%	0.543	S	S	*	.			trans	-54.7	140.2	178.5	-21.9	30.9	0	0	0	111	Q169	P167-Q169 PolarHBondContact O-N 3.4Å
168	P	42.4	Very low	51.5	Low	75 Å²	75	106.4 Å²	106.4	49%	0.487	55%	0.55	S	S	.	*			trans	-72.5	101.4	-171.7	31.6	-35.4	0	0	0	109.6	V159 F170	V159-P168 HydrophobicContact CG1-CB 4.46Å; P168-F170 HydrophobicContact CB-CD2 3.44Å; P168-F170 VanDerWaalsContact CB-CD2 3.44Å; P168-F170 HydrophobicContact CB-CE1 4.42Å; P168-F170 HydrophobicContact CB-CE2 3.29Å; P168-F170 HydrophobicContact CB-CG 4.1Å; P168-F170 HydrophobicContact CB-CZ 3.81Å; P168-F170 HydrophobicContact CG-CD2 3.52Å; P168-F170 HydrophobicContact CG-CE2 3.08Å; P168-F170 HydrophobicContact CG-CZ 3.88Å; P168-F170 VanDerWaalsContact O-CD2 3.29Å; P168-F170 WeakPolarHBondContact O-CD2 2.8Å; P168-F170 PolarHBondContact O-N 3.29Å
169	Q	39.9	Very low	52.4	Low	153 Å²	153	108.9 Å²	108.9	72%	0.715	56%	0.563	S	S	*	*			trans	-74.9	87.4	159.5	-70.7	-174.3	-2.5	0	0	107.3	P167 D171 N172	P167-Q169 PolarHBondContact O-N 3.4Å; Q169-D171 PolarHBondContact O-N 2.8Å; Q169-N172 PolarHBondContact OE1-ND2 3.27Å
170	F	41.9	Very low	53.4	Low	136 Å²	136	107.7 Å²	107.7	60%	0.596	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	3.6	-163.1	-97.2	-76.2	0	0	0	117.3	P168	P168-F170 HydrophobicContact CB-CD2 3.44Å; P168-F170 VanDerWaalsContact CB-CD2 3.44Å; P168-F170 HydrophobicContact CB-CE1 4.42Å; P168-F170 HydrophobicContact CB-CE2 3.29Å; P168-F170 HydrophobicContact CB-CG 4.1Å; P168-F170 HydrophobicContact CB-CZ 3.81Å; P168-F170 HydrophobicContact CG-CD2 3.52Å; P168-F170 HydrophobicContact CG-CE2 3.08Å; P168-F170 HydrophobicContact CG-CZ 3.88Å; P168-F170 VanDerWaalsContact O-CD2 3.29Å; P168-F170 WeakPolarHBondContact O-CD2 2.8Å; P168-F170 PolarHBondContact O-N 3.29Å
171	D	44.4	Very low	54.7	Low	127 Å²	127	99.4 Å²	99.4	68%	0.679	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-4.6	-176.6	-73.7	-34.6	0	0	0	115.1	Q169 N175	Q169-D171 PolarHBondContact O-N 2.8Å; D171-N175 VanDerWaalsContact O-CB 3.29Å; D171-N175 WeakPolarHBondContact O-CB 3.11Å; D171-N175 PolarHBondContact O-ND2 3.48Å
172	N	48.4	Very low	56	Low	89 Å²	89	94.6 Å²	94.6	48%	0.476	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-15	-157.8	-78.8	-24.8	0	0	0	117.5	Q169 N175 S176	Q169-N172 PolarHBondContact OE1-ND2 3.27Å; N172-N175 CarbonylContact O-C 3.6Å; N172-S176 WeakPolarHBondContact O-CA 3.3Å; N172-S176 VanDerWaalsContact O-CB 3.24Å; N172-S176 WeakPolarHBondContact O-CB 3.38Å; N172-S176 PolarHBondContact O-N 2.82Å
173	T	50.6	Low	57.4	Low	76 Å²	76	95.8 Å²	95.8	47%	0.466	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-41.9	-169.2	53.8	0	0	0	0	114.4	N175 S176 F177	T173-N175 VanDerWaalsContact C-N 3.33Å; T173-S176 WeakPolarHBondContact O-CA 3.29Å; T173-S176 WeakPolarHBondContact O-CB 3.37Å; T173-S176 PolarHBondContact O-N 3.04Å; T173-F177 PolarHBondContact O-N 2.91Å
174	H	48.7	Very low	59	Low	93 Å²	93	90.2 Å²	90.2	43%	0.431	48%	0.483	S	S	.	.	H	α-helix	trans	-72.8	-33.4	169	-167.1	-87.5	0	0	0	111	S176 H178	H174-S176 PolarHBondContact O-N 2.97Å; H174-H178 PolarHBondContact O-N 2.84Å
175	N	52.8	Low	60.6	Low	84 Å²	84	92.6 Å²	92.6	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-25.6	163	-80.1	-27.5	0	0	0	111.4	D171 N172 T173 K179	D171-N175 VanDerWaalsContact O-CB 3.29Å; D171-N175 WeakPolarHBondContact O-CB 3.11Å; D171-N175 PolarHBondContact O-ND2 3.48Å; N172-N175 CarbonylContact O-C 3.6Å; T173-N175 VanDerWaalsContact C-N 3.33Å; N175-K179 WeakPolarHBondContact O-CA 3.24Å; N175-K179 WeakPolarHBondContact O-CB 3.29Å; N175-K179 PolarHBondContact O-N 3.25Å
176	S	64.4	Low	61.9	Low	35 Å²	35	91.6 Å²	91.6	25%	0.245	46%	0.463	C	S	.	.	H	α-helix	trans	-68.9	-50.7	177.2	-171.3	0	0	0	0	111.8	N172 T173 H174 K179 A180	N172-S176 WeakPolarHBondContact O-CA 3.3Å; N172-S176 VanDerWaalsContact O-CB 3.24Å; N172-S176 WeakPolarHBondContact O-CB 3.38Å; N172-S176 PolarHBondContact O-N 2.82Å; T173-S176 WeakPolarHBondContact O-CA 3.29Å; T173-S176 WeakPolarHBondContact O-CB 3.37Å; T173-S176 PolarHBondContact O-N 3.04Å; H174-S176 PolarHBondContact O-N 2.97Å; S176-K179 PolarHBondContact O-N 3.45Å; S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 2.92Å
177	F	74.7	Confident	63.1	Low	32 Å²	32	88.7 Å²	88.7	14%	0.14	44%	0.442	C	S	.	.	H	α-helix	trans	-61	-49.3	176	174.8	-106	0	0	0	111.1	T173 K179 A180 L181 E220 G244 V245	T173-F177 PolarHBondContact O-N 2.91Å; F177-K179 PolarHBondContact O-N 3.47Å; F177-A180 PolarHBondContact O-N 2.86Å; F177-L181 HydrophobicContact CE1-CD1 4.23Å; F177-L181 HydrophobicContact CE2-CD1 4.35Å; F177-L181 HydrophobicContact CZ-CD1 3.79Å; F177-L181 VanDerWaalsContact O-CB 3.26Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.7Å; F177-E220 HydrophobicContact CB-CG 4.43Å; F177-E220 HydrophobicContact CD2-CB 4.15Å; F177-E220 HydrophobicContact CD2-CG 4.03Å; F177-E220 HydrophobicContact CE2-CB 4.1Å; F177-E220 HydrophobicContact CE2-CG 4.48Å; F177-E220 HydrophobicContact CG-CG 4.14Å; F177-E220 HydrophobicContact CZ-CB 4.47Å; F177-G244 VanDerWaalsContact CD2-O 3.3Å; F177-G244 WeakPolarHBondContact CD2-O 3.41Å; F177-V245 HydrophobicContact CD2-CB 4.44Å; F177-V245 HydrophobicContact CD2-CG2 3.59Å; F177-V245 HydrophobicContact CE2-CG2 3.84Å
178	H	75.4	Confident	64.7	Low	97 Å²	97	84.2 Å²	84.2	45%	0.449	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-40.9	-179.9	-172.4	70.4	0	0	0	112.2	H174 L181 M182	H174-H178 PolarHBondContact O-N 2.84Å; H178-L181 PolarHBondContact O-N 3.13Å; H178-M182 WeakPolarHBondContact O-CB 3.26Å; H178-M182 WeakPolarHBondContact O-CG 3.41Å; H178-M182 PolarHBondContact O-N 2.89Å
179	K	73.6	Confident	66.3	Low	131 Å²	131	88.6 Å²	88.6	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-67.9	-40.8	176.1	-175.9	179.7	-179.5	-177.7	0	111.8	N175 S176 F177 L181 M182 H183	N175-K179 WeakPolarHBondContact O-CA 3.24Å; N175-K179 WeakPolarHBondContact O-CB 3.29Å; N175-K179 PolarHBondContact O-N 3.25Å; S176-K179 PolarHBondContact O-N 3.45Å; F177-K179 PolarHBondContact O-N 3.47Å; K179-L181 VanDerWaalsContact C-N 3.35Å; K179-M182 WeakPolarHBondContact O-CB 3.43Å; K179-M182 PolarHBondContact O-N 2.98Å; K179-H183 PolarHBondContact O-CD2 3.01Å; K179-H183 PolarHBondContact O-N 3.36Å
180	A	74.2	Confident	68.4	Low	17 Å²	17	82.9 Å²	82.9	14%	0.14	39%	0.392	C	S	.	.	H	α-helix	trans	-65.3	-39.6	174.8	0	0	0	0	0	111.2	S176 F177 H183 L184 T243 V245	S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 2.92Å; F177-A180 PolarHBondContact O-N 2.86Å; A180-H183 PolarHBondContact O-N 3.21Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 3.29Å; A180-T243 WeakPolarHBondContact CB-O 3.33Å; A180-V245 HydrophobicContact CB-CG2 3.55Å
181	L	81.7	Confident	70.4	Confident	26 Å²	26	79.9 Å²	79.9	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-40	172.1	-166.8	114.8	0	0	0	111.8	F177 H178 K179 L184 R185 L190 I197 V218	F177-L181 HydrophobicContact CE1-CD1 4.23Å; F177-L181 HydrophobicContact CE2-CD1 4.35Å; F177-L181 HydrophobicContact CZ-CD1 3.79Å; F177-L181 VanDerWaalsContact O-CB 3.26Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.7Å; H178-L181 PolarHBondContact O-N 3.13Å; K179-L181 VanDerWaalsContact C-N 3.35Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-R185 WeakPolarHBondContact O-CB 3.35Å; L181-R185 PolarHBondContact O-N 3Å; L181-L190 HydrophobicContact CG-CD1 4.38Å; L181-I197 HydrophobicContact CD1-CD1 3.47Å; L181-I197 VanDerWaalsContact CD1-CD1 3.47Å; L181-I197 HydrophobicContact CD1-CG2 4.41Å; L181-I197 HydrophobicContact CD2-CD1 4.42Å; L181-V218 HydrophobicContact CD1-CG1 4.1Å
182	M	79.3	Confident	72.3	Confident	91 Å²	91	80.3 Å²	80.3	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-41.8	174.1	-73.3	-71.2	-111.6	0	0	111.7	H178 K179 R185 Q186	H178-M182 WeakPolarHBondContact O-CB 3.26Å; H178-M182 WeakPolarHBondContact O-CG 3.41Å; H178-M182 PolarHBondContact O-N 2.89Å; K179-M182 WeakPolarHBondContact O-CB 3.43Å; K179-M182 PolarHBondContact O-N 2.98Å; M182-R185 PolarHBondContact O-N 3.33Å; M182-Q186 WeakPolarHBondContact O-CG 3.37Å; M182-Q186 PolarHBondContact O-N 3.26Å
183	H	79.3	Confident	73.7	Confident	96 Å²	96	79.6 Å²	79.6	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-42.5	172.1	-76.3	-59.9	0	0	0	111.8	K179 A180 R185 Q186	K179-H183 PolarHBondContact O-CD2 3.01Å; K179-H183 PolarHBondContact O-N 3.36Å; A180-H183 PolarHBondContact O-N 3.21Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 2.83Å; H183-Q186 WeakPolarHBondContact O-CB 3.29Å; H183-Q186 PolarHBondContact O-N 2.85Å; H183-Q186 VanDerWaalsContact O-N 3.17Å
184	L	78.7	Confident	75.1	Confident	23 Å²	23	83.8 Å²	83.8	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-65.2	-38.1	178.6	-160.7	148.8	0	0	0	111	A180 L181 Q186 E187 W188 L190 F216 I247 L308	A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 3.29Å; L181-L184 PolarHBondContact O-N 3.5Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 3.32Å; L184-E187 PolarHBondContact O-N 3.41Å; L184-E187 VanDerWaalsContact O-N 3.16Å; L184-W188 HydrophobicContact CD2-CB 3.95Å; L184-W188 HydrophobicContact CD2-CG 4.35Å; L184-W188 PolarHBondContact O-N 3.17Å; L184-L190 HydrophobicContact CD2-CD1 3.59Å; L184-L190 HydrophobicContact CD2-CD2 3.53Å; L184-L190 HydrophobicContact CD2-CG 3.83Å; L184-F216 HydrophobicContact CD2-CE2 4.29Å; L184-F216 HydrophobicContact CD2-CZ 4.41Å; L184-I247 HydrophobicContact CD1-CD1 4Å; L184-L308 HydrophobicContact CD1-CD1 4.27Å
185	R	79.9	Confident	76.7	Confident	177 Å²	177	87.3 Å²	87.3	67%	0.668	41%	0.41	S	S	*	.	H	α-helix	trans	-65.7	-25.8	174.2	-175.5	176.6	177.1	170.8	0.6	113.8	L181 M182 H183 E187 W188 L190	L181-R185 WeakPolarHBondContact O-CB 3.35Å; L181-R185 PolarHBondContact O-N 3Å; M182-R185 PolarHBondContact O-N 3.33Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 2.83Å; R185-E187 PolarHBondContact O-N 2.8Å; R185-W188 WeakPolarHBondContact CA-O 3.44Å; R185-L190 HydrophobicContact CB-CD1 4.31Å
186	Q	79.1	Confident	78.1	Confident	139 Å²	139	84.8 Å²	84.8	65%	0.65	40%	0.399	S	S	*	.	H	α-helix	trans	-68.2	-25.6	174.2	-71.7	170.4	-7	0	0	112.1	M182 H183 L184	M182-Q186 WeakPolarHBondContact O-CG 3.37Å; M182-Q186 PolarHBondContact O-N 3.26Å; H183-Q186 WeakPolarHBondContact O-CB 3.29Å; H183-Q186 PolarHBondContact O-N 2.85Å; H183-Q186 VanDerWaalsContact O-N 3.17Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 3.32Å
187	E	73.7	Confident	79	Confident	59 Å²	59	85 Å²	85	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-109.3	-33.1	-174.9	-59.7	-171.9	167.3	0	0	113.5	L184 R185 R305	L184-E187 PolarHBondContact O-N 3.41Å; L184-E187 VanDerWaalsContact O-N 3.16Å; R185-E187 PolarHBondContact O-N 2.8Å; E187-R305 VanDerWaalsContact CD-NE 3.32Å; E187-R305 IonicContact OE1-CZ 2.79Å; E187-R305 IonicContact OE1-NE 3.25Å; E187-R305 PolarHBondContact OE1-NE 3.19Å; E187-R305 IonicContact OE1-NH1 2.71Å; E187-R305 IonicContact OE1-NH2 2.82Å; E187-R305 PolarHBondContact OE1-NH2 3.44Å; E187-R305 IonicContact OE2-CZ 2.69Å; E187-R305 IonicContact OE2-NE 3.27Å; E187-R305 PolarHBondContact OE2-NE 3.34Å; E187-R305 IonicContact OE2-NH2 3.03Å
188	W	75.4	Confident	79.5	Confident	13 Å²	13	86 Å²	86	5%	0.049	40%	0.403	C	S	.	.	S	Bend	trans	-125	143.5	-173.1	-60.1	92.4	0	0	0	111.1	L184 R185 L190 V201 F216 L308 F309 Q312	L184-W188 HydrophobicContact CD2-CB 3.95Å; L184-W188 HydrophobicContact CD2-CG 4.35Å; L184-W188 PolarHBondContact O-N 3.17Å; R185-W188 WeakPolarHBondContact CA-O 3.44Å; W188-L190 PolarHBondContact O-N 3.16Å; W188-V201 HydrophobicContact CH2-CG1 4.06Å; W188-V201 HydrophobicContact CZ3-CB 4.3Å; W188-V201 HydrophobicContact CZ3-CG1 3.96Å; W188-V201 HydrophobicContact CZ3-CG2 4.31Å; W188-F216 HydrophobicContact CB-CZ 4.47Å; W188-L308 HydrophobicContact CD2-CD1 4.17Å; W188-L308 HydrophobicContact CG-CD1 4.18Å; W188-L308 HydrophobicContact CH2-CB 4.16Å; W188-L308 HydrophobicContact CZ2-CB 3.56Å; W188-L308 HydrophobicContact CZ2-CD1 4.31Å; W188-L308 HydrophobicContact CZ2-CG 4.5Å; W188-F309 HydrophobicContact CH2-CD1 4.43Å; W188-F309 HydrophobicContact CH2-CE1 4.47Å; W188-F309 AromaticContact CZ2-CD1 3.93Å; W188-F309 HydrophobicContact CZ2-CD1 3.93Å; W188-F309 AromaticContact CZ2-CE1 3.74Å; W188-F309 HydrophobicContact CZ2-CE1 3.74Å; W188-F309 HydrophobicContact CZ2-CZ 4.48Å; W188-Q312 HydrophobicContact CH2-CB 4.26Å
189	R	77.1	Confident	79.9	Confident	166 Å²	166	81.5 Å²	81.5	63%	0.626	38%	0.384	S	S	*	.			trans	-80.5	112.5	175.6	-173.3	173.6	178.4	157.7	-3	109.7
190	L	82.6	Confident	80.3	Confident	34 Å²	34	76.7 Å²	76.7	18%	0.178	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.2	176.6	-59	178.2	0	0	0	111.4	L181 L184 R185 W188 I197 L198 F216 V218	L181-L190 HydrophobicContact CG-CD1 4.38Å; L184-L190 HydrophobicContact CD2-CD1 3.59Å; L184-L190 HydrophobicContact CD2-CD2 3.53Å; L184-L190 HydrophobicContact CD2-CG 3.83Å; R185-L190 HydrophobicContact CB-CD1 4.31Å; W188-L190 PolarHBondContact O-N 3.16Å; L190-I197 HydrophobicContact CB-CG2 4.2Å; L190-I197 HydrophobicContact CD1-CG2 4.19Å; L190-I197 HydrophobicContact CD2-CG2 4.48Å; L190-L198 CarbonylContact C-O 3.57Å; L190-L198 WeakPolarHBondContact CA-O 3.45Å; L190-F216 HydrophobicContact CD2-CE2 4.06Å; L190-F216 HydrophobicContact CD2-CZ 4.07Å; L190-V218 HydrophobicContact CD2-CG2 4.17Å
191	K	83.7	Confident	80.7	Confident	73 Å²	73	75.9 Å²	75.9	32%	0.317	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	172.6	-71.9	-176.5	174.9	-179.7	0	109.4	L198 F518	K191-L198 PolarHBondContact N-O 3.34Å; K191-L198 PolarHBondContact O-N 3.04Å; K191-F518 PolarHBondContact NZ-O 3.5Å
192	L	84.2	Confident	80.6	Confident	135 Å²	135	75 Å²	75	71%	0.707	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.3	168.7	-178	67.5	0	0	0	108.2	I197	L192-I197 HydrophobicContact CD1-CG1 3.99Å
193	H	78.8	Confident	80.3	Confident	74 Å²	74	71.4 Å²	71.4	34%	0.343	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.2	176.1	-171.9	80.7	0	0	0	109.3	N195 S196 L198	H193-N195 PolarHBondContact O-N 2.76Å; H193-S196 PolarHBondContact N-O 2.98Å; H193-S196 PolarHBondContact O-N 3.41Å; H193-S196 PolarHBondContact O-OG 3.46Å; H193-L198 HydrophobicContact CB-CD1 3.63Å; H193-L198 HydrophobicContact CB-CG 4.25Å
194	Q	80.4	Confident	80.1	Confident	165 Å²	165	70.9 Å²	70.9	77%	0.771	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-103.7	-172.2	-57.5	176.3	-1.1	0	0	111.7
195	N	81.4	Confident	79.5	Confident	167 Å²	167	72.5 Å²	72.5	89%	0.893	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	5	180	-70.5	-5.3	0	0	0	113.2	H193	H193-N195 PolarHBondContact O-N 2.76Å
196	S	81.8	Confident	78.9	Confident	30 Å²	30	65.7 Å²	65.7	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.5	-178.9	65.5	0	0	0	0	112.2	H193	H193-S196 PolarHBondContact N-O 2.98Å; H193-S196 PolarHBondContact O-N 3.41Å; H193-S196 PolarHBondContact O-OG 3.46Å
197	I	83.6	Confident	78.3	Confident	39 Å²	39	59.6 Å²	59.6	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.5	175.6	-58.7	175.2	0	0	0	107	L181 L190 L192 V218	L181-I197 HydrophobicContact CD1-CD1 3.47Å; L181-I197 VanDerWaalsContact CD1-CD1 3.47Å; L181-I197 HydrophobicContact CD1-CG2 4.41Å; L181-I197 HydrophobicContact CD2-CD1 4.42Å; L190-I197 HydrophobicContact CB-CG2 4.2Å; L190-I197 HydrophobicContact CD1-CG2 4.19Å; L190-I197 HydrophobicContact CD2-CG2 4.48Å; L192-I197 HydrophobicContact CD1-CG1 3.99Å; I197-V218 HydrophobicContact CB-CB 4.13Å; I197-V218 HydrophobicContact CG2-CB 4.13Å; I197-V218 HydrophobicContact CG2-CG2 4.32Å; I197-V218 PolarHBondContact O-N 3.44Å
198	L	85	Confident	78.3	Confident	53 Å²	53	57 Å²	57	28%	0.277	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.3	-178.4	-58.6	178.3	0	0	0	110.4	L190 K191 H193 F216 E217	L190-L198 CarbonylContact C-O 3.57Å; L190-L198 WeakPolarHBondContact CA-O 3.45Å; K191-L198 PolarHBondContact N-O 3.34Å; K191-L198 PolarHBondContact O-N 3.04Å; H193-L198 HydrophobicContact CB-CD1 3.63Å; H193-L198 HydrophobicContact CB-CG 4.25Å; L198-F216 CarbonylContact C-O 3.53Å; L198-F216 WeakPolarHBondContact CA-O 3.47Å; L198-E217 HydrophobicContact CD2-CB 4.19Å; L198-E217 HydrophobicContact CD2-CG 4.17Å
199	G	83.6	Confident	78.1	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	166.2	170.3	0	0	0	0	0	111.4	N215 F216	G199-N215 WeakPolarHBondContact O-CA 3.41Å; G199-F216 VanDerWaalsContact C-CD1 3.41Å; G199-F216 PolarHBondContact N-O 2.86Å; G199-F216 WeakPolarHBondContact O-CD1 3.16Å; G199-F216 PolarHBondContact O-N 3.06Å
200	D	83.1	Confident	78.2	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.16	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.4	174.6	-174.2	17.8	0	0	0	110.8	S202 W521	D200-S202 WeakPolarHBondContact OD1-CA 3.48Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-N 3.35Å; D200-S202 PolarHBondContact OD1-OG 2.8Å; D200-S202 PolarHBondContact OD2-OG 2.82Å; D200-W521 HydrophobicContact CB-CH2 3.3Å; D200-W521 HydrophobicContact CB-CZ2 4.16Å; D200-W521 HydrophobicContact CB-CZ3 3.78Å; D200-W521 WeakPolarHBondContact OD2-CH2 3.11Å; D200-W521 WeakPolarHBondContact OD2-CZ2 3.42Å
201	V	82.5	Confident	78	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.006	32%	0.32	C	S	.	.			trans	-90.3	-13.9	173.2	-173.4	0	0	0	0	112	W188 G214 F216 F249 L308 A311 Q312	W188-V201 HydrophobicContact CH2-CG1 4.06Å; W188-V201 HydrophobicContact CZ3-CB 4.3Å; W188-V201 HydrophobicContact CZ3-CG1 3.96Å; W188-V201 HydrophobicContact CZ3-CG2 4.31Å; V201-G214 WeakPolarHBondContact CB-O 3.25Å; V201-G214 PolarHBondContact N-O 2.82Å; V201-F216 HydrophobicContact CG2-CD1 3.41Å; V201-F216 VanDerWaalsContact CG2-CD1 3.41Å; V201-F216 HydrophobicContact CG2-CE1 3.47Å; V201-F216 VanDerWaalsContact CG2-CE1 3.47Å; V201-F216 HydrophobicContact CG2-CG 4.47Å; V201-F249 HydrophobicContact CG2-CE1 3.81Å; V201-F249 HydrophobicContact CG2-CZ 4.39Å; V201-L308 WeakPolarHBondContact CG1-O 3.26Å; V201-L308 HydrophobicContact CG2-CD2 3.52Å; V201-A311 HydrophobicContact CG1-CB 3.92Å; V201-Q312 VanDerWaalsContact CG1-CA 3.42Å; V201-Q312 HydrophobicContact CG1-CB 3.47Å; V201-Q312 VanDerWaalsContact CG1-CB 3.47Å; V201-Q312 HydrophobicContact CG1-CG 4.13Å; V201-Q312 VanDerWaalsContact CG1-N 3.26Å
202	S	78.8	Confident	77.7	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.042	32%	0.317	C	S	.	.	S	Bend	trans	-64.5	153.1	-177.1	87.7	0	0	0	0	112.6	D200 R204	D200-S202 WeakPolarHBondContact OD1-CA 3.48Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-N 3.35Å; D200-S202 PolarHBondContact OD1-OG 2.8Å; D200-S202 PolarHBondContact OD2-OG 2.82Å; S202-R204 PolarHBondContact O-N 2.9Å; S202-R204 VanDerWaalsContact O-N 3.16Å; S202-R204 WeakPolarHBondContact OG-CB 3.1Å; S202-R204 VanDerWaalsContact OG-CD 3.28Å; S202-R204 WeakPolarHBondContact OG-CD 3.14Å; S202-R204 WeakPolarHBondContact OG-CG 3.44Å; S202-R204 PolarHBondContact OG-N 3.32Å
203	L	73.5	Confident	77.2	Confident	16 Å²	16	61 Å²	61	8%	0.084	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-77.8	10.9	177.2	-63.2	177.1	0	0	0	112.6	S205 V206 G207 S208 Q312 A316 L409	L203-S205 PolarHBondContact O-N 3.16Å; L203-V206 CarbonylContact O-C 3.54Å; L203-V206 WeakPolarHBondContact O-CA 3.4Å; L203-V206 PolarHBondContact O-N 3.17Å; L203-G207 PolarHBondContact O-N 3.39Å; L203-S208 VanDerWaalsContact O-CB 3.28Å; L203-S208 WeakPolarHBondContact O-CB 3.47Å; L203-S208 PolarHBondContact O-N 2.88Å; L203-S208 VanDerWaalsContact O-N 3.09Å; L203-Q312 HydrophobicContact CD2-CG 4.16Å; L203-A316 HydrophobicContact CD1-CB 3.84Å; L203-L409 HydrophobicContact CD1-CD2 4.21Å
204	R	75.1	Confident	77.1	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.9	-35.5	178.1	-70.9	174.5	-162.4	-81	-1.3	112	S202 V206 G207 S208 F210 R211 E212	S202-R204 PolarHBondContact O-N 2.9Å; S202-R204 VanDerWaalsContact O-N 3.16Å; S202-R204 WeakPolarHBondContact OG-CB 3.1Å; S202-R204 VanDerWaalsContact OG-CD 3.28Å; S202-R204 WeakPolarHBondContact OG-CD 3.14Å; S202-R204 WeakPolarHBondContact OG-CG 3.44Å; S202-R204 PolarHBondContact OG-N 3.32Å; R204-V206 PolarHBondContact O-N 3.17Å; R204-G207 PolarHBondContact O-N 3.4Å; R204-S208 WeakPolarHBondContact CA-O 3.3Å; R204-S208 WeakPolarHBondContact CG-O 3.4Å; R204-F210 PolarHBondContact NH1-O 2.96Å; R204-F210 VanDerWaalsContact NH1-O 3.17Å; R204-F210 PolarHBondContact NH2-O 3.04Å; R204-R211 PolarHBondContact NH2-O 3.46Å; R204-R211 VanDerWaalsContact NH2-O 3.11Å; R204-E212 PolarHBondContact NH2-O 3.32Å
205	S	67	Low	77.3	Confident	57 Å²	57	52.4 Å²	52.4	40%	0.399	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-54.7	-34.9	173.1	57	0	0	0	0	112.1	L203 W417	L203-S205 PolarHBondContact O-N 3.16Å; S205-W417 WeakPolarHBondContact O-CZ2 3.25Å; S205-W417 PolarHBondContact O-NE1 2.59Å
206	V	65.7	Low	77.5	Confident	34 Å²	34	44.6 Å²	44.6	21%	0.206	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.1	7.8	-179.6	-162	0	0	0	0	112.2	L203 R204 H413 W417	L203-V206 CarbonylContact O-C 3.54Å; L203-V206 WeakPolarHBondContact O-CA 3.4Å; L203-V206 PolarHBondContact O-N 3.17Å; R204-V206 PolarHBondContact O-N 3.17Å; V206-H413 HydrophobicContact CG1-CB 4.26Å; V206-H413 CarbonylContact O-C 3.59Å; V206-H413 WeakPolarHBondContact O-CB 3.47Å; V206-W417 VanDerWaalsContact C-CD1 3.49Å; V206-W417 VanDerWaalsContact CA-NE1 3.33Å; V206-W417 PolarHBondContact O-NE1 3.26Å
207	G	67.9	Low	77.7	Confident	10 Å²	10	45.3 Å²	45.3	10%	0.103	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	11	174.9	0	0	0	0	0	114.4	L203 R204 H209 W417	L203-G207 PolarHBondContact O-N 3.39Å; R204-G207 PolarHBondContact O-N 3.4Å; G207-H209 PolarHBondContact O-CD2 3.25Å; G207-W417 VanDerWaalsContact N-NE1 3.18Å
208	S	72.6	Confident	77.7	Confident	5 Å²	5	43.8 Å²	43.8	4%	0.035	21%	0.214	C	C	.	.			trans	-63.8	134.9	168.1	175.9	0	0	0	0	110.8	L203 R204 F210 E319	L203-S208 VanDerWaalsContact O-CB 3.28Å; L203-S208 WeakPolarHBondContact O-CB 3.47Å; L203-S208 PolarHBondContact O-N 2.88Å; L203-S208 VanDerWaalsContact O-N 3.09Å; R204-S208 WeakPolarHBondContact CA-O 3.3Å; R204-S208 WeakPolarHBondContact CG-O 3.4Å; S208-F210 WeakPolarHBondContact OG-CB 3.35Å; S208-F210 PolarHBondContact OG-N 3.45Å; S208-F210 VanDerWaalsContact OG-N 3.16Å; S208-E319 VanDerWaalsContact CB-OE1 3.31Å; S208-E319 WeakPolarHBondContact CB-OE1 3.43Å; S208-E319 PolarHBondContact OG-OE1 2.81Å; S208-E319 PolarHBondContact OG-OE2 2.83Å; S208-E319 VanDerWaalsContact OG-OE2 3.13Å
209	H	71.6	Confident	77.5	Confident	130 Å²	130	47.2 Å²	47.2	60%	0.602	22%	0.224	S	C	*	.			trans	-107.7	20.2	170.9	-67.8	-73.1	0	0	0	112	G207 V416	G207-H209 PolarHBondContact O-CD2 3.25Å; H209-V416 VanDerWaalsContact NE2-CG1 3.3Å; H209-V416 WeakPolarHBondContact NE2-CG1 3.43Å
210	F	79.6	Confident	77.1	Confident	25 Å²	25	50 Å²	50	11%	0.11	24%	0.236	C	C	.	.			trans	-60.3	140.9	-178.4	-171.4	-129.7	0	0	0	111.4	R204 S208 E212 R318 E319 S322	R204-F210 PolarHBondContact NH1-O 2.96Å; R204-F210 VanDerWaalsContact NH1-O 3.17Å; R204-F210 PolarHBondContact NH2-O 3.04Å; S208-F210 WeakPolarHBondContact OG-CB 3.35Å; S208-F210 PolarHBondContact OG-N 3.45Å; S208-F210 VanDerWaalsContact OG-N 3.16Å; F210-E212 HydrophobicContact CD1-CB 3.92Å; F210-E212 HydrophobicContact CD1-CG 4.38Å; F210-E212 HydrophobicContact CE1-CB 3.54Å; F210-E212 HydrophobicContact CE1-CG 3.62Å; F210-E212 WeakPolarHBondContact CE1-OE2 3.48Å; F210-E212 HydrophobicContact CZ-CB 4.23Å; F210-E212 HydrophobicContact CZ-CG 3.79Å; F210-E212 PolarHBondContact O-N 2.83Å; F210-R318 HydrophobicContact CE1-CB 3.98Å; F210-R318 HydrophobicContact CZ-CB 3.92Å; F210-E319 HydrophobicContact CB-CB 4.19Å; F210-E319 HydrophobicContact CB-CG 3.89Å; F210-E319 HydrophobicContact CD1-CB 4.06Å; F210-E319 HydrophobicContact CD2-CB 4.06Å; F210-E319 HydrophobicContact CD2-CG 4.13Å; F210-E319 HydrophobicContact CE1-CB 4.47Å; F210-E319 HydrophobicContact CG-CB 3.84Å; F210-E319 HydrophobicContact CG-CG 3.99Å; F210-S322 VanDerWaalsContact CE2-CB 3.5Å
211	R	78.2	Confident	76.2	Confident	238 Å²	238	49.7 Å²	49.7	90%	0.898	24%	0.236	S	C	*	.	S	Bend	trans	-67.9	-35.7	-172.1	-71.5	-175.9	175	-171.3	-3.1	112.7	R204	R204-R211 PolarHBondContact NH2-O 3.46Å; R204-R211 VanDerWaalsContact NH2-O 3.11Å
212	E	77.3	Confident	75	Confident	57 Å²	57	54.5 Å²	54.5	27%	0.266	26%	0.262	S	S	.	.	S	Bend	trans	-72.5	137.2	-177.5	-58.1	178.7	174.4	0	0	111.7	R204 F210 L315 R318	R204-E212 PolarHBondContact NH2-O 3.32Å; F210-E212 HydrophobicContact CD1-CB 3.92Å; F210-E212 HydrophobicContact CD1-CG 4.38Å; F210-E212 HydrophobicContact CE1-CB 3.54Å; F210-E212 HydrophobicContact CE1-CG 3.62Å; F210-E212 WeakPolarHBondContact CE1-OE2 3.48Å; F210-E212 HydrophobicContact CZ-CB 4.23Å; F210-E212 HydrophobicContact CZ-CG 3.79Å; F210-E212 PolarHBondContact O-N 2.83Å; E212-L315 HydrophobicContact CB-CD2 4.23Å; E212-R318 VanDerWaalsContact CD-NE 3.3Å; E212-R318 IonicContact OE1-CZ 3.86Å; E212-R318 VanDerWaalsContact OE1-CZ 3.27Å; E212-R318 IonicContact OE1-NE 3.61Å; E212-R318 PolarHBondContact OE1-NE 3.46Å; E212-R318 IonicContact OE1-NH2 3.71Å; E212-R318 PolarHBondContact OE1-NH2 3.34Å; E212-R318 WeakPolarHBondContact OE2-CD 3.12Å; E212-R318 IonicContact OE2-CZ 2.76Å; E212-R318 IonicContact OE2-NE 2.78Å; E212-R318 PolarHBondContact OE2-NE 3.43Å; E212-R318 IonicContact OE2-NH2 3.39Å
213	S	74.8	Confident	73.6	Confident	55 Å²	55	58.9 Å²	58.9	39%	0.385	29%	0.288	S	S	.	.			trans	-97.2	136.7	177.5	59	0	0	0	0	111.1
214	G	76.5	Confident	72	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.309	C	S	.	.			trans	-101.2	34.7	178.4	0	0	0	0	0	113.3	V201	V201-G214 WeakPolarHBondContact CB-O 3.25Å; V201-G214 PolarHBondContact N-O 2.82Å
215	N	83.9	Confident	70.2	Confident	58 Å²	58	69.8 Å²	69.8	31%	0.31	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.7	-170.5	-58	-0.7	0	0	0	110.8	G199 W521	G199-N215 WeakPolarHBondContact O-CA 3.41Å; N215-W521 HydrophobicContact CB-CZ3 4.41Å; N215-W521 VanDerWaalsContact CG-CZ3 3.42Å; N215-W521 WeakPolarHBondContact OD1-CH2 3.28Å; N215-W521 WeakPolarHBondContact OD1-CZ3 3.31Å
216	F	85.5	Confident	68.6	Low	3 Å²	3	71.4 Å²	71.4	1%	0.013	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.7	175.3	65.4	-83.8	0	0	0	111.6	L184 W188 L190 L198 G199 V201 V218 I247 I248 F249 L308	L184-F216 HydrophobicContact CD2-CE2 4.29Å; L184-F216 HydrophobicContact CD2-CZ 4.41Å; W188-F216 HydrophobicContact CB-CZ 4.47Å; L190-F216 HydrophobicContact CD2-CE2 4.06Å; L190-F216 HydrophobicContact CD2-CZ 4.07Å; L198-F216 CarbonylContact C-O 3.53Å; L198-F216 WeakPolarHBondContact CA-O 3.47Å; G199-F216 VanDerWaalsContact C-CD1 3.41Å; G199-F216 PolarHBondContact N-O 2.86Å; G199-F216 WeakPolarHBondContact O-CD1 3.16Å; G199-F216 PolarHBondContact O-N 3.06Å; V201-F216 HydrophobicContact CG2-CD1 3.41Å; V201-F216 VanDerWaalsContact CG2-CD1 3.41Å; V201-F216 HydrophobicContact CG2-CE1 3.47Å; V201-F216 VanDerWaalsContact CG2-CE1 3.47Å; V201-F216 HydrophobicContact CG2-CG 4.47Å; F216-V218 HydrophobicContact CD2-CG2 3.85Å; F216-V218 HydrophobicContact CE2-CG2 3.65Å; F216-I247 HydrophobicContact CB-CG2 3.88Å; F216-I247 HydrophobicContact CD2-CG2 3.7Å; F216-I247 HydrophobicContact CG-CG2 4.02Å; F216-I248 CarbonylContact C-O 3.54Å; F216-I248 VanDerWaalsContact CA-O 3.28Å; F216-I248 WeakPolarHBondContact CA-O 3.4Å; F216-I248 WeakPolarHBondContact CB-O 3.4Å; F216-F249 HydrophobicContact CB-CD1 3.81Å; F216-F249 HydrophobicContact CB-CE1 3.95Å; F216-F249 HydrophobicContact CB-CG 4.31Å; F216-L308 HydrophobicContact CD1-CD2 3.88Å; F216-L308 HydrophobicContact CD2-CD2 4.11Å; F216-L308 HydrophobicContact CE1-CD2 3.68Å; F216-L308 HydrophobicContact CE2-CD2 3.93Å; F216-L308 HydrophobicContact CG-CD2 4.05Å; F216-L308 HydrophobicContact CZ-CD1 4.38Å; F216-L308 HydrophobicContact CZ-CD2 3.69Å
217	E	85.4	Confident	67	Low	45 Å²	45	73.4 Å²	73.4	21%	0.21	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.2	172.6	-168.8	-174	161.8	0	0	109.4	L198 R219 I248	L198-E217 HydrophobicContact CD2-CB 4.19Å; L198-E217 HydrophobicContact CD2-CG 4.17Å; E217-R219 HydrophobicContact CG-CG 4.35Å; E217-R219 IonicContact OE1-CZ 3.86Å; E217-R219 IonicContact OE1-NE 3.7Å; E217-R219 PolarHBondContact OE1-NE 2.81Å; E217-R219 IonicContact OE1-NH2 2.77Å; E217-R219 PolarHBondContact OE1-NH2 2.64Å; E217-R219 IonicContact OE2-CZ 3.21Å; E217-R219 IonicContact OE2-NE 2.68Å; E217-R219 IonicContact OE2-NH2 3.24Å; E217-R219 PolarHBondContact OE2-NH2 2.89Å; E217-I248 HydrophobicContact CB-CB 4.48Å; E217-I248 PolarHBondContact N-O 2.75Å; E217-I248 PolarHBondContact O-N 2.88Å
218	V	84.4	Confident	65.2	Low	7 Å²	7	79 Å²	79	4%	0.042	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.1	175.5	-173.8	0	0	0	0	108.2	L181 L190 I197 F216 V245	L181-V218 HydrophobicContact CD1-CG1 4.1Å; L190-V218 HydrophobicContact CD2-CG2 4.17Å; I197-V218 HydrophobicContact CB-CB 4.13Å; I197-V218 HydrophobicContact CG2-CB 4.13Å; I197-V218 HydrophobicContact CG2-CG2 4.32Å; I197-V218 PolarHBondContact O-N 3.44Å; F216-V218 HydrophobicContact CD2-CG2 3.85Å; F216-V218 HydrophobicContact CE2-CG2 3.65Å; V218-V245 HydrophobicContact CG1-CG1 3.44Å; V218-V245 VanDerWaalsContact CG1-CG1 3.44Å
219	R	81.4	Confident	63.3	Low	126 Å²	126	84 Å²	84	48%	0.475	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	157.5	172.7	-67	-162.9	-176.5	156.9	7	110.9	E217 V245 M246 I248	E217-R219 HydrophobicContact CG-CG 4.35Å; E217-R219 IonicContact OE1-CZ 3.86Å; E217-R219 IonicContact OE1-NE 3.7Å; E217-R219 PolarHBondContact OE1-NE 2.81Å; E217-R219 IonicContact OE1-NH2 2.77Å; E217-R219 PolarHBondContact OE1-NH2 2.64Å; E217-R219 IonicContact OE2-CZ 3.21Å; E217-R219 IonicContact OE2-NE 2.68Å; E217-R219 IonicContact OE2-NH2 3.24Å; E217-R219 PolarHBondContact OE2-NH2 2.89Å; R219-V245 CarbonylContact O-C 3.52Å; R219-M246 PolarHBondContact N-O 2.93Å; R219-M246 PolarHBondContact O-N 3.2Å; R219-I248 HydrophobicContact CB-CD1 4.37Å; R219-I248 HydrophobicContact CG-CD1 3.89Å
220	E	74.1	Confident	61.2	Low	61 Å²	61	85.8 Å²	85.8	29%	0.285	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138	165.1	-166.6	176.4	174.7	0	0	107.9	R158 F177 D222	R158-E220 IonicContact CZ-OE1 2.86Å; R158-E220 VanDerWaalsContact CZ-OE1 3.24Å; R158-E220 IonicContact NH1-OE1 3.84Å; R158-E220 PolarHBondContact NH1-OE1 2.92Å; R158-E220 IonicContact NH2-OE1 3.89Å; R158-E220 PolarHBondContact NH2-OE1 2.83Å; R158-E220 IonicContact NH2-OE2 3.44Å; F177-E220 HydrophobicContact CB-CG 4.43Å; F177-E220 HydrophobicContact CD2-CB 4.15Å; F177-E220 HydrophobicContact CD2-CG 4.03Å; F177-E220 HydrophobicContact CE2-CB 4.1Å; F177-E220 HydrophobicContact CE2-CG 4.48Å; F177-E220 HydrophobicContact CG-CG 4.14Å; F177-E220 HydrophobicContact CZ-CB 4.47Å; E220-D222 PolarHBondContact O-N 3.11Å
221	S	65.7	Low	59.3	Low	24 Å²	24	90.5 Å²	90.5	17%	0.168	47%	0.471	C	S	.	.			trans	-70.9	96.1	178.6	62.4	0	0	0	0	109.5	V223 G244	S221-V223 PolarHBondContact O-N 2.93Å; S221-V223 VanDerWaalsContact O-N 3.11Å; S221-G244 PolarHBondContact N-O 2.93Å; S221-G244 VanDerWaalsContact OG-CA 3.25Å; S221-G244 WeakPolarHBondContact OG-CA 3.47Å; S221-G244 PolarHBondContact OG-O 2.81Å
222	D	56.5	Low	56.9	Low	101 Å²	101	88.5 Å²	88.5	54%	0.54	47%	0.472	S	S	.	.			trans	-72.2	100	166	-74	-31.5	0	0	0	108.1	E220 F224	E220-D222 PolarHBondContact O-N 3.11Å; D222-F224 PolarHBondContact O-N 2.97Å
223	V	49.1	Very low	54.8	Low	99 Å²	99	90.9 Å²	90.9	60%	0.6	49%	0.494	S	S	*	.			trans	-71.8	35.5	171.8	-169.7	0	0	0	0	110.5	S221	S221-V223 PolarHBondContact O-N 2.93Å; S221-V223 VanDerWaalsContact O-N 3.11Å
224	F	40.3	Very low	52.6	Low	117 Å²	117	97.6 Å²	97.6	51%	0.513	52%	0.52	S	S	.	.			trans	-137.5	26.4	-162.1	-61.1	-67.5	0	0	0	114.5	D222 D226	D222-F224 PolarHBondContact O-N 2.97Å; F224-D226 PolarHBondContact O-N 3.12Å; F224-D226 VanDerWaalsContact O-N 3.12Å
225	F	36.9	Very low	50.5	Low	213 Å²	213	105 Å²	105	93%	0.934	56%	0.559	S	S	*	*			trans	-77.3	99.1	158.2	-104.9	-84.5	0	0	0	109.5
226	D	34.2	Very low	47.9	Very low	92 Å²	92	110.3 Å²	110.3	49%	0.492	59%	0.588	S	S	.	*			trans	-26.6	121.8	170.1	-158.9	16	0	0	0	114.6	N63 F224 K228	N63-D226 PolarHBondContact ND2-OD2 3.41Å; F224-D226 PolarHBondContact O-N 3.12Å; F224-D226 VanDerWaalsContact O-N 3.12Å; D226-K228 VanDerWaalsContact C-N 3.3Å; D226-K228 PolarHBondContact O-N 2.94Å
227	G	30.5	Very low	45.6	Very low	76 Å²	76	119.7 Å²	119.7	78%	0.784	63%	0.628	S	S	*	*			trans	-70.1	87.4	166	0	0	0	0	0	109.8
228	K	30.7	Very low	43.2	Very low	126 Å²	126	122.2 Å²	122.2	55%	0.548	65%	0.65	S	S	.	*			trans	-143.5	72.5	159.6	-72.8	-164.3	176.3	-170.6	0	110.3	D226	D226-K228 VanDerWaalsContact C-N 3.3Å; D226-K228 PolarHBondContact O-N 2.94Å
229	S	33.5	Very low	41.1	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	68%	0.677	S	S	*	*			trans	-140.2	96.9	152.4	61.3	0	0	0	0	107.4	V231	S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.49Å
230	D	27.6	Very low	39	Very low	167 Å²	167	123.4 Å²	123.4	89%	0.893	67%	0.669	S	S	*	*			trans	-62.1	90.5	164.1	-66.3	-46	0	0	0	108.7
231	V	38.8	Very low	37.6	Very low	124 Å²	124	123.8 Å²	123.8	75%	0.752	68%	0.683	S	S	*	*			trans	-152.4	117.8	146.8	-175.6	0	0	0	0	107.8	S229 S233	S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.49Å; V231-S233 PolarHBondContact O-N 3.25Å; V231-S233 VanDerWaalsContact O-N 3.08Å
232	E	28.2	Very low	36.6	Very low	197 Å²	197	127.8 Å²	127.8	92%	0.921	71%	0.706	S	S	*	*			trans	-43	107.3	170.9	-62.2	169.4	149	0	0	112.1
233	S	33.6	Very low	36.4	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	70%	0.696	S	S	*	*			trans	-153.2	105.1	152.6	44.1	0	0	0	0	108.7	V231 D235	V231-S233 PolarHBondContact O-N 3.25Å; V231-S233 VanDerWaalsContact O-N 3.08Å; S233-D235 PolarHBondContact O-N 3.08Å; S233-D235 VanDerWaalsContact O-N 3.15Å
234	Q	28.7	Very low	36.9	Very low	197 Å²	197	121.5 Å²	121.5	92%	0.921	67%	0.674	S	S	*	*			trans	-55.4	110	164.7	-77.5	172.4	-42.8	0	0	108.4
235	D	31.2	Very low	38.3	Very low	154 Å²	154	116.1 Å²	116.1	82%	0.824	65%	0.651	S	S	*	*			trans	-163.1	109.7	150.8	-96	-24.8	0	0	0	109.5	S233 K237	S233-D235 PolarHBondContact O-N 3.08Å; S233-D235 VanDerWaalsContact O-N 3.15Å; D235-K237 PolarHBondContact O-N 3.48Å
236	D	30.5	Very low	40.2	Very low	170 Å²	170	109.3 Å²	109.3	91%	0.909	62%	0.623	S	S	*	*			trans	-53.6	96.7	-179	-94.6	-34.1	0	0	0	112.4	C238	D236-C238 VanDerWaalsContact C-N 3.33Å; D236-C238 PolarHBondContact O-N 2.78Å; D236-C238 VanDerWaalsContact O-N 3.15Å
237	K	36.2	Very low	42.4	Very low	200 Å²	200	105.2 Å²	105.2	87%	0.87	60%	0.601	S	S	*	*			trans	-81.9	80.9	162.3	-73.6	-177.4	-178.5	171.6	0	109.3	D235 V239	D235-K237 PolarHBondContact O-N 3.48Å; K237-V239 PolarHBondContact O-N 2.72Å
238	C	35	Very low	44.9	Very low	98 Å²	98	103.7 Å²	103.7	66%	0.662	58%	0.575	S	S	*	*			trans	-70.1	94.1	169.2	-166	0	0	0	0	109.5	D236 D240	D236-C238 VanDerWaalsContact C-N 3.33Å; D236-C238 PolarHBondContact O-N 2.78Å; D236-C238 VanDerWaalsContact O-N 3.15Å; C238-D240 PolarHBondContact O-N 3.24Å
239	V	39.6	Very low	47.4	Very low	102 Å²	102	98.2 Å²	98.2	62%	0.618	55%	0.551	S	S	*	*			trans	-70.6	120.1	169.8	-176.3	0	0	0	0	107.3	K237 A241	K237-V239 PolarHBondContact O-N 2.72Å; V239-A241 PolarHBondContact O-N 2.65Å
240	D	38.6	Very low	49.6	Very low	56 Å²	56	95 Å²	95	30%	0.299	53%	0.528	S	S	.	.			trans	-67.6	79.6	-179.2	-155	20.2	0	0	0	110.2	C238 V242 N303	C238-D240 PolarHBondContact O-N 3.24Å; D240-V242 PolarHBondContact O-N 3Å; D240-N303 PolarHBondContact OD2-OD1 3.34Å
241	A	43.8	Very low	52.1	Low	69 Å²	69	95.4 Å²	95.4	57%	0.57	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	7.2	-175.5	0	0	0	0	0	113.8	V239	V239-A241 PolarHBondContact O-N 2.65Å
242	V	44.7	Very low	54	Low	109 Å²	109	93.1 Å²	93.1	66%	0.661	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.4	-173.3	-174.6	0	0	0	0	112.2	D240	D240-V242 PolarHBondContact O-N 3Å
243	T	53.5	Low	56.4	Low	52 Å²	52	84 Å²	84	32%	0.319	47%	0.472	S	S	.	.	S	Bend	trans	-113.9	-2.1	-170.7	47.3	0	0	0	0	116.5	A180 V245	A180-T243 WeakPolarHBondContact CB-O 3.33Å; T243-V245 WeakPolarHBondContact O-CG2 3.32Å; T243-V245 PolarHBondContact O-N 3.18Å
244	G	58.9	Low	58.5	Low	15 Å²	15	81.8 Å²	81.8	16%	0.155	45%	0.45	C	S	.	.			trans	63.1	-5.6	172	0	0	0	0	0	116.4	F177 S221	F177-G244 VanDerWaalsContact CD2-O 3.3Å; F177-G244 WeakPolarHBondContact CD2-O 3.41Å; S221-G244 PolarHBondContact N-O 2.93Å; S221-G244 VanDerWaalsContact OG-CA 3.25Å; S221-G244 WeakPolarHBondContact OG-CA 3.47Å; S221-G244 PolarHBondContact OG-O 2.81Å
245	V	70	Confident	60.7	Low	4 Å²	4	75.2 Å²	75.2	2%	0.024	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	152.6	-177.7	175.9	0	0	0	0	108	F177 A180 V218 R219 T243 I247 Q304	F177-V245 HydrophobicContact CD2-CB 4.44Å; F177-V245 HydrophobicContact CD2-CG2 3.59Å; F177-V245 HydrophobicContact CE2-CG2 3.84Å; A180-V245 HydrophobicContact CB-CG2 3.55Å; V218-V245 HydrophobicContact CG1-CG1 3.44Å; V218-V245 VanDerWaalsContact CG1-CG1 3.44Å; R219-V245 CarbonylContact O-C 3.52Å; T243-V245 WeakPolarHBondContact O-CG2 3.32Å; T243-V245 PolarHBondContact O-N 3.18Å; V245-I247 HydrophobicContact CG1-CG1 4.44Å; V245-Q304 PolarHBondContact O-NE2 3.32Å; V245-Q304 PolarHBondContact O-OE1 2.98Å
246	M	77.2	Confident	62.7	Low	71 Å²	71	69.6 Å²	69.6	35%	0.35	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.7	169.4	-173	-171.3	-64.6	0	0	109.1	R219 I248	R219-M246 PolarHBondContact N-O 2.93Å; R219-M246 PolarHBondContact O-N 3.2Å; M246-I248 HydrophobicContact CG-CG1 4.35Å; M246-I248 HydrophobicContact SD-CD1 4.35Å; M246-I248 HydrophobicContact SD-CG1 4.25Å
247	I	80.6	Confident	64.8	Low	5 Å²	5	61.9 Å²	61.9	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.8	178.5	-58.1	-178.1	0	0	0	109.7	L184 F216 V245 F249 Q304 K307 L308	L184-I247 HydrophobicContact CD1-CD1 4Å; F216-I247 HydrophobicContact CB-CG2 3.88Å; F216-I247 HydrophobicContact CD2-CG2 3.7Å; F216-I247 HydrophobicContact CG-CG2 4.02Å; V245-I247 HydrophobicContact CG1-CG1 4.44Å; I247-F249 HydrophobicContact CG2-CD2 4.12Å; I247-F249 HydrophobicContact CG2-CE2 3.68Å; I247-F249 HydrophobicContact CG2-CZ 4.05Å; I247-Q304 HydrophobicContact CD1-CB 3.84Å; I247-Q304 HydrophobicContact CG1-CB 4.22Å; I247-K307 PolarHBondContact O-NZ 3.36Å; I247-L308 HydrophobicContact CD1-CD1 3.49Å; I247-L308 VanDerWaalsContact CD1-CD1 3.49Å; I247-L308 HydrophobicContact CD1-CD2 3.95Å; I247-L308 HydrophobicContact CD1-CG 3.55Å; I247-L308 HydrophobicContact CG2-CD2 4.1Å
248	I	82.1	Confident	66.6	Low	45 Å²	45	58.3 Å²	58.3	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.2	179.8	-55.9	174.8	0	0	0	108	F216 E217 R219 M246	F216-I248 CarbonylContact C-O 3.54Å; F216-I248 VanDerWaalsContact CA-O 3.28Å; F216-I248 WeakPolarHBondContact CA-O 3.4Å; F216-I248 WeakPolarHBondContact CB-O 3.4Å; E217-I248 HydrophobicContact CB-CB 4.48Å; E217-I248 PolarHBondContact N-O 2.75Å; E217-I248 PolarHBondContact O-N 2.88Å; R219-I248 HydrophobicContact CB-CD1 4.37Å; R219-I248 HydrophobicContact CG-CD1 3.89Å; M246-I248 HydrophobicContact CG-CG1 4.35Å; M246-I248 HydrophobicContact SD-CD1 4.35Å; M246-I248 HydrophobicContact SD-CG1 4.25Å
249	F	82.9	Confident	68.1	Low	10 Å²	10	55.4 Å²	55.4	4%	0.044	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	169.3	175.6	-70.7	-89.9	0	0	0	110.4	V201 F216 I247 M253 E254 L257 K307 L308 A311	V201-F249 HydrophobicContact CG2-CE1 3.81Å; V201-F249 HydrophobicContact CG2-CZ 4.39Å; F216-F249 HydrophobicContact CB-CD1 3.81Å; F216-F249 HydrophobicContact CB-CE1 3.95Å; F216-F249 HydrophobicContact CB-CG 4.31Å; I247-F249 HydrophobicContact CG2-CD2 4.12Å; I247-F249 HydrophobicContact CG2-CE2 3.68Å; I247-F249 HydrophobicContact CG2-CZ 4.05Å; F249-M253 HydrophobicContact CB-CB 4.05Å; F249-M253 HydrophobicContact CB-CG 4.18Å; F249-M253 HydrophobicContact CD1-CB 4.45Å; F249-M253 HydrophobicContact CD1-CG 3.79Å; F249-M253 HydrophobicContact CE1-CG 4.42Å; F249-M253 HydrophobicContact CG-CG 4.16Å; F249-E254 HydrophobicContact CB-CG 3.65Å; F249-E254 PolarHBondContact N-OE1 2.94Å; F249-L257 HydrophobicContact CD2-CD1 3.73Å; F249-L257 HydrophobicContact CE2-CD1 3.76Å; F249-L257 HydrophobicContact CG-CD1 4.16Å; F249-L257 HydrophobicContact CZ-CD1 4.19Å; F249-K307 HydrophobicContact CD2-CD 4.38Å; F249-K307 HydrophobicContact CE2-CD 3.84Å; F249-K307 HydrophobicContact CE2-CG 3.87Å; F249-L308 HydrophobicContact CE1-CD2 4.31Å; F249-L308 HydrophobicContact CZ-CD2 3.82Å; F249-A311 HydrophobicContact CE1-CB 3.78Å; F249-A311 HydrophobicContact CZ-CB 3.72Å
250	S	80.8	Confident	69.1	Low	43 Å²	43	50.9 Å²	50.9	30%	0.301	30%	0.302	S	S	.	.			trans	-60.2	149.8	166.5	63.9	0	0	0	0	111	S252 M253 E254	S250-S252 PolarHBondContact O-N 3.19Å; S250-S252 VanDerWaalsContact O-N 3.12Å; S250-S252 PolarHBondContact OG-OG 2.97Å; S250-M253 PolarHBondContact O-N 2.99Å; S250-E254 PolarHBondContact O-N 3.36Å
251	Q	79.4	Confident	69.8	Low	176 Å²	176	55 Å²	55	82%	0.822	32%	0.319	S	S	*	.	H	α-helix	trans	-51.7	-39.2	179.7	-67.4	178.2	0.5	0	0	112.9	M253 E254 A255	Q251-M253 PolarHBondContact O-N 3.35Å; Q251-E254 PolarHBondContact O-N 3.45Å; Q251-A255 WeakPolarHBondContact O-CB 3.44Å; Q251-A255 PolarHBondContact O-N 2.85Å
252	S	77.8	Confident	70.4	Confident	77 Å²	77	53.4 Å²	53.4	54%	0.538	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-42.7	176	52	0	0	0	0	112.9	S250 L256	S250-S252 PolarHBondContact O-N 3.19Å; S250-S252 VanDerWaalsContact O-N 3.12Å; S250-S252 PolarHBondContact OG-OG 2.97Å; S252-L256 WeakPolarHBondContact O-CG 3.41Å; S252-L256 PolarHBondContact O-N 3.24Å
253	M	78.9	Confident	70.8	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-78.3	-33.7	-178.8	-172.9	60.3	179.8	0	0	111.7	F249 S250 Q251 L256 L257 A311 L315	F249-M253 HydrophobicContact CB-CB 4.05Å; F249-M253 HydrophobicContact CB-CG 4.18Å; F249-M253 HydrophobicContact CD1-CB 4.45Å; F249-M253 HydrophobicContact CD1-CG 3.79Å; F249-M253 HydrophobicContact CE1-CG 4.42Å; F249-M253 HydrophobicContact CG-CG 4.16Å; S250-M253 PolarHBondContact O-N 2.99Å; Q251-M253 PolarHBondContact O-N 3.35Å; M253-L256 PolarHBondContact O-N 2.85Å; M253-L256 HydrophobicContact SD-CB 4.46Å; M253-L256 HydrophobicContact SD-CD1 4.26Å; M253-L257 HydrophobicContact CE-CG 4.32Å; M253-L257 HydrophobicContact CG-CD1 4.27Å; M253-L257 WeakPolarHBondContact O-CB 3.28Å; M253-L257 VanDerWaalsContact O-CG 3.31Å; M253-L257 WeakPolarHBondContact O-CG 3.36Å; M253-L257 PolarHBondContact O-N 3.21Å; M253-A311 HydrophobicContact CE-CB 3.27Å; M253-A311 WeakPolarHBondContact CE-O 3.3Å; M253-L315 HydrophobicContact CE-CD1 4.27Å; M253-L315 HydrophobicContact CE-CG 4.03Å; M253-L315 HydrophobicContact SD-CD2 4.4Å; M253-L315 HydrophobicContact SD-CG 4.5Å
254	E	78.3	Confident	71	Confident	61 Å²	61	50.1 Å²	50.1	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-42.7	171.9	-66.1	-164.9	155.2	0	0	111.6	F249 S250 Q251 L256 L257 N258	F249-E254 HydrophobicContact CB-CG 3.65Å; F249-E254 PolarHBondContact N-OE1 2.94Å; S250-E254 PolarHBondContact O-N 3.36Å; Q251-E254 PolarHBondContact O-N 3.45Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 3.4Å; E254-L257 PolarHBondContact O-N 2.91Å; E254-N258 WeakPolarHBondContact O-CB 3.35Å; E254-N258 PolarHBondContact O-N 3.49Å; E254-N258 PolarHBondContact O-ND2 3.24Å
255	A	75.1	Confident	71.3	Confident	59 Å²	59	53.1 Å²	53.1	49%	0.488	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-42.2	173.7	0	0	0	0	0	112	Q251 N258 S259	Q251-A255 WeakPolarHBondContact O-CB 3.44Å; Q251-A255 PolarHBondContact O-N 2.85Å; A255-N258 PolarHBondContact O-N 3.46Å; A255-S259 VanDerWaalsContact O-CB 3.32Å; A255-S259 WeakPolarHBondContact O-CB 2.98Å; A255-S259 PolarHBondContact O-N 2.93Å; A255-S259 PolarHBondContact O-OG 2.81Å; A255-S259 VanDerWaalsContact O-OG 3.06Å
256	L	73.6	Confident	71.3	Confident	36 Å²	36	53 Å²	53	19%	0.188	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-39.8	176.1	-71.2	172.4	0	0	0	113.3	S252 M253 E254 N258 S259 S260 R318	S252-L256 WeakPolarHBondContact O-CG 3.41Å; S252-L256 PolarHBondContact O-N 3.24Å; M253-L256 PolarHBondContact O-N 2.85Å; M253-L256 HydrophobicContact SD-CB 4.46Å; M253-L256 HydrophobicContact SD-CD1 4.26Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 3.4Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-S259 PolarHBondContact O-OG 2.92Å; L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 2.81Å; L256-S260 PolarHBondContact O-OG 2.61Å; L256-R318 VanDerWaalsContact CD2-NH1 3.31Å
257	L	74.9	Confident	71.2	Confident	8 Å²	8	52 Å²	52	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-34.9	177.5	-77.4	168.4	0	0	0	112.1	F249 M253 E254 S260 K307 K310 A311 L314	F249-L257 HydrophobicContact CD2-CD1 3.73Å; F249-L257 HydrophobicContact CE2-CD1 3.76Å; F249-L257 HydrophobicContact CG-CD1 4.16Å; F249-L257 HydrophobicContact CZ-CD1 4.19Å; M253-L257 HydrophobicContact CE-CG 4.32Å; M253-L257 HydrophobicContact CG-CD1 4.27Å; M253-L257 WeakPolarHBondContact O-CB 3.28Å; M253-L257 VanDerWaalsContact O-CG 3.31Å; M253-L257 WeakPolarHBondContact O-CG 3.36Å; M253-L257 PolarHBondContact O-N 3.21Å; E254-L257 PolarHBondContact O-N 2.91Å; L257-S260 PolarHBondContact O-OG 3.06Å; L257-K307 HydrophobicContact CD1-CG 4.32Å; L257-K310 HydrophobicContact CD2-CB 4.2Å; L257-K310 HydrophobicContact CD2-CD 3.99Å; L257-K310 HydrophobicContact CD2-CG 4.03Å; L257-K310 PolarHBondContact O-NZ 3.15Å; L257-A311 HydrophobicContact CD1-CB 4.37Å; L257-A311 HydrophobicContact CD2-CB 4.08Å; L257-L314 HydrophobicContact CD2-CD1 3.83Å
258	N	72.1	Confident	71	Confident	125 Å²	125	52 Å²	52	67%	0.668	30%	0.301	S	S	*	.	H	α-helix	trans	-79.1	-36.4	179.4	-67.4	-17	0	0	0	112.4	E254 A255 L256	E254-N258 WeakPolarHBondContact O-CB 3.35Å; E254-N258 PolarHBondContact O-N 3.49Å; E254-N258 PolarHBondContact O-ND2 3.24Å; A255-N258 PolarHBondContact O-N 3.46Å; L256-N258 VanDerWaalsContact C-N 3.31Å
259	S	67.3	Low	70.8	Confident	36 Å²	36	53.3 Å²	53.3	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-76.3	-24.7	-179.8	65.2	0	0	0	0	113.9	A255 L256 H261	A255-S259 VanDerWaalsContact O-CB 3.32Å; A255-S259 WeakPolarHBondContact O-CB 2.98Å; A255-S259 PolarHBondContact O-N 2.93Å; A255-S259 PolarHBondContact O-OG 2.81Å; A255-S259 VanDerWaalsContact O-OG 3.06Å; L256-S259 PolarHBondContact O-OG 2.92Å; S259-H261 PolarHBondContact O-N 3Å
260	S	61	Low	70.5	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	32%	0.315	C	S	.	.			trans	-80.7	95.8	-179.9	52.8	0	0	0	0	111.9	L256 L257 G262 K310 L314	L256-S260 WeakPolarHBondContact O-CB 3.41Å; L256-S260 PolarHBondContact O-N 2.81Å; L256-S260 PolarHBondContact O-OG 2.61Å; L257-S260 PolarHBondContact O-OG 3.06Å; S260-G262 PolarHBondContact O-N 2.78Å; S260-G262 VanDerWaalsContact O-N 3.11Å; S260-K310 PolarHBondContact O-NZ 2.98Å; S260-K310 VanDerWaalsContact OG-CE 3.31Å; S260-K310 WeakPolarHBondContact OG-CE 3.11Å; S260-K310 PolarHBondContact OG-NZ 3.4Å; S260-L314 WeakPolarHBondContact OG-CD1 3.31Å
261	H	52.9	Low	70.3	Confident	142 Å²	142	55 Å²	55	66%	0.657	31%	0.309	S	S	*	.			trans	-78.6	87.5	164.7	-70.5	-74.3	0	0	0	109.5	S259	S259-H261 PolarHBondContact O-N 3Å
262	G	56	Low	70	Confident	36 Å²	36	53.2 Å²	53.2	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	156.9	170	174.9	0	0	0	0	0	113.5	S260 G264 K310	S260-G262 PolarHBondContact O-N 2.78Å; S260-G262 VanDerWaalsContact O-N 3.11Å; G262-G264 PolarHBondContact O-N 3.47Å; G262-K310 VanDerWaalsContact O-CE 3.31Å; G262-K310 WeakPolarHBondContact O-CE 3.33Å
263	P	54.4	Low	69.2	Low	83 Å²	83	52.7 Å²	52.7	54%	0.539	30%	0.297	S	S	.	.	S	Bend	trans	-69.7	14.3	-178.1	29	-35.9	0	0	0	115.1	L265	P263-L265 HydrophobicContact CB-CD1 4.31Å; P263-L265 HydrophobicContact CG-CD1 3.93Å
264	G	56.4	Low	68.1	Low	10 Å²	10	57.5 Å²	57.5	10%	0.103	32%	0.323	C	S	.	.	S	Bend	trans	69	41.8	-175.9	0	0	0	0	0	113	G262 C317	G262-G264 PolarHBondContact O-N 3.47Å; G264-C317 PolarHBondContact O-SG 2.98Å
265	L	65.2	Low	66.9	Low	77 Å²	77	62.2 Å²	62.2	40%	0.403	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-91.4	139.2	177.3	-112.6	84.5	0	0	0	111.2	P263	P263-L265 HydrophobicContact CB-CD1 4.31Å; P263-L265 HydrophobicContact CG-CD1 3.93Å
266	L	71.7	Confident	65.3	Low	3 Å²	3	66.2 Å²	66.2	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.5	162.7	-175.7	74.5	0	0	0	109.2	V268 I320 L321 L361 N402 L405	L266-V268 HydrophobicContact CD2-CG2 4.16Å; L266-V268 HydrophobicContact CG-CG2 4.29Å; L266-I320 HydrophobicContact CD2-CG2 4.45Å; L266-L321 HydrophobicContact CD1-CD1 4.06Å; L266-L321 HydrophobicContact CD1-CD2 3.77Å; L266-L321 HydrophobicContact CD1-CG 3.86Å; L266-L361 HydrophobicContact CD2-CD2 4.45Å; L266-N402 PolarHBondContact N-ND2 2.77Å; L266-N402 PolarHBondContact O-ND2 3.34Å; L266-L405 HydrophobicContact CD2-CD1 3.39Å
267	N	74.2	Confident	63.7	Low	50 Å²	50	67.7 Å²	67.7	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.3	175	-173.9	33.4	0	0	0	109.5	E269 L361 S362 V364	N267-E269 PolarHBondContact ND2-OE1 3.21Å; N267-L361 WeakPolarHBondContact O-CA 3.25Å; N267-S362 PolarHBondContact N-O 3.43Å; N267-S362 PolarHBondContact O-N 3.31Å; N267-V364 HydrophobicContact CB-CG2 4.27Å
268	V	76.6	Confident	61.8	Low	5 Å²	5	74.7 Å²	74.7	3%	0.03	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.6	-178.4	-179.6	0	0	0	0	108	L266 I359 C360 L361 S398 I401	L266-V268 HydrophobicContact CD2-CG2 4.16Å; L266-V268 HydrophobicContact CG-CG2 4.29Å; V268-I359 HydrophobicContact CG1-CD1 3.84Å; V268-I359 HydrophobicContact CG1-CG1 4.09Å; V268-C360 WeakPolarHBondContact CA-O 3.48Å; V268-L361 HydrophobicContact CB-CD2 3.97Å; V268-L361 HydrophobicContact CG1-CD2 3.65Å; V268-L361 HydrophobicContact CG2-CD2 3.48Å; V268-L361 VanDerWaalsContact CG2-CD2 3.48Å; V268-S398 VanDerWaalsContact O-CB 3.32Å; V268-S398 WeakPolarHBondContact O-CB 3.34Å; V268-I401 HydrophobicContact CG1-CB 4.21Å; V268-I401 HydrophobicContact CG1-CD1 3.98Å; V268-I401 HydrophobicContact CG1-CG2 4.07Å; V268-I401 HydrophobicContact CG2-CG2 4.29Å
269	E	77.2	Confident	60	Low	72 Å²	72	74.4 Å²	74.4	34%	0.336	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	-178.6	-65.7	-178.7	-172.3	0	0	110.3	N267 C360	N267-E269 PolarHBondContact ND2-OE1 3.21Å; E269-C360 HydrophobicContact CB-CB 4.43Å; E269-C360 PolarHBondContact N-O 3.48Å; E269-C360 PolarHBondContact O-N 3.26Å
270	F	77.3	Confident	58.4	Low	53 Å²	53	76.1 Å²	76.1	23%	0.232	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.1	165.9	-70.1	-95.6	0	0	0	108.4	L353 Q358 I359 I401 Y593	F270-L353 HydrophobicContact CD1-CD1 3.63Å; F270-L353 HydrophobicContact CE1-CD1 3.33Å; F270-Q358 CarbonylContact C-O 3.52Å; F270-Q358 WeakPolarHBondContact CA-O 3.2Å; F270-I359 HydrophobicContact CZ-CD1 4.43Å; F270-I401 HydrophobicContact CE2-CD1 3.53Å; F270-I401 HydrophobicContact CZ-CD1 3.45Å; F270-I401 VanDerWaalsContact CZ-CD1 3.45Å; F270-Y593 HydrophobicContact CD1-CD2 4.23Å
271	L	75.8	Confident	57.3	Low	36 Å²	36	79.2 Å²	79.2	19%	0.188	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110	178.6	-64.7	166	0	0	0	107.7	V357 Q358 C360	L271-V357 WeakPolarHBondContact O-CA 3.31Å; L271-Q358 HydrophobicContact CB-CB 4.32Å; L271-Q358 PolarHBondContact N-O 2.93Å; L271-Q358 PolarHBondContact O-N 3.32Å; L271-C360 HydrophobicContact CD1-CB 3.91Å
272	E	72.6	Confident	56.6	Low	137 Å²	137	77.5 Å²	77.5	64%	0.64	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	119	172.4	-171.4	162.8	-153.1	0	0	108.3	V357 Y593	E272-V357 HydrophobicContact CG-CG2 4.45Å; E272-Y593 PolarHBondContact OE1-OH 2.82Å
273	S	62.7	Low	55.7	Low	66 Å²	66	81.3 Å²	81.3	46%	0.462	45%	0.452	S	S	.	.			trans	-94.5	106.8	173.6	-56.2	0	0	0	0	107.9	I275 G356	S273-I275 PolarHBondContact O-N 2.74Å; S273-G356 PolarHBondContact N-O 3.1Å
274	D	54.8	Low	54.8	Low	105 Å²	105	82.3 Å²	82.3	56%	0.561	45%	0.45	S	S	*	.			trans	-65.8	125	173.9	-159.8	-7.1	0	0	0	108.6	N276 S277	D274-N276 PolarHBondContact O-N 2.97Å; D274-S277 PolarHBondContact O-N 3.44Å; D274-S277 PolarHBondContact O-OG 2.98Å
275	I	52.6	Low	53.8	Low	160 Å²	160	86.5 Å²	86.5	82%	0.821	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.5	-174.6	-58.5	169	0	0	0	111	S273	S273-I275 PolarHBondContact O-N 2.74Å
276	N	41.8	Very low	52.6	Low	144 Å²	144	85.9 Å²	85.9	77%	0.77	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.2	-179.7	-58.9	-49.5	0	0	0	114.6	D274	D274-N276 PolarHBondContact O-N 2.97Å
277	S	41.4	Very low	51.1	Low	67 Å²	67	93 Å²	93	47%	0.469	49%	0.492	S	S	.	.	S	Bend	trans	-92.9	131.2	171.2	63.1	0	0	0	0	110	D274	D274-S277 PolarHBondContact O-N 3.44Å; D274-S277 PolarHBondContact O-OG 2.98Å
278	L	34.9	Very low	49.1	Very low	155 Å²	155	97.6 Å²	97.6	81%	0.812	51%	0.512	S	S	*	.			trans	-44.4	138.4	176.6	-146.8	77.3	0	0	0	109.7	T280	L278-T280 PolarHBondContact O-N 3.03Å
279	P	33.5	Very low	47.1	Very low	119 Å²	119	104.3 Å²	104.3	77%	0.773	54%	0.541	S	S	*	.			trans	-58.5	100.6	179.6	23.5	-34.1	0	0	0	109	P281	P279-P281 WeakPolarHBondContact O-CD 3.13Å
280	T	34.4	Very low	45	Very low	72 Å²	72	109.3 Å²	109.3	44%	0.442	56%	0.564	S	S	.	*			trans	-71.4	121.2	169	25.4	0	0	0	0	105.7	L278 L282	L278-T280 PolarHBondContact O-N 3.03Å; T280-L282 PolarHBondContact O-N 2.82Å
281	P	36.4	Very low	42.6	Very low	72 Å²	72	116.1 Å²	116.1	47%	0.468	60%	0.597	S	S	.	*			trans	-56.5	132.6	177.9	19.5	-26.4	0	0	0	107.9	P279 L283 E284	P279-P281 WeakPolarHBondContact O-CD 3.13Å; P281-L283 CarbonylContact O-C 3.52Å; P281-L283 PolarHBondContact O-N 3.38Å; P281-E284 HydrophobicContact CG-CB 4.18Å; P281-E284 WeakPolarHBondContact O-CB 3.01Å; P281-E284 PolarHBondContact O-N 2.93Å
282	L	39.4	Very low	40.5	Very low	106 Å²	106	122.2 Å²	122.2	56%	0.555	63%	0.628	S	S	*	*	H	α-helix	trans	-44.1	-31.2	178.1	-100.4	160.7	0	0	0	113	T280 F285 I286	T280-L282 PolarHBondContact O-N 2.82Å; L282-F285 PolarHBondContact O-N 2.8Å; L282-I286 WeakPolarHBondContact O-CD1 3.37Å; L282-I286 WeakPolarHBondContact O-CG1 3.5Å; L282-I286 PolarHBondContact O-N 2.93Å; L282-I286 VanDerWaalsContact O-N 3.09Å
283	L	36.2	Very low	38.4	Very low	115 Å²	115	120.2 Å²	120.2	60%	0.602	63%	0.629	S	S	*	*	H	α-helix	trans	-61.2	-42.8	174.1	-82.6	152.5	0	0	0	113.9	P281 F285 I286 F287	P281-L283 CarbonylContact O-C 3.52Å; P281-L283 PolarHBondContact O-N 3.38Å; L283-F285 VanDerWaalsContact C-N 3.29Å; L283-F285 PolarHBondContact O-N 2.99Å; L283-I286 PolarHBondContact O-N 3.27Å; L283-F287 HydrophobicContact CD2-CD2 4.35Å; L283-F287 HydrophobicContact CD2-CE2 3.7Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; L283-F287 PolarHBondContact O-N 3.2Å
284	E	35.3	Very low	36.7	Very low	105 Å²	105	122.1 Å²	122.1	49%	0.491	64%	0.643	S	S	.	*	H	α-helix	trans	-64.3	-37.9	178.3	-127.6	174.1	179.8	0	0	110.7	P281 F287 H288	P281-E284 HydrophobicContact CG-CB 4.18Å; P281-E284 WeakPolarHBondContact O-CB 3.01Å; P281-E284 PolarHBondContact O-N 2.93Å; E284-F287 PolarHBondContact O-N 2.87Å; E284-H288 WeakPolarHBondContact O-CA 3.43Å; E284-H288 VanDerWaalsContact O-CB 3.28Å; E284-H288 WeakPolarHBondContact O-CB 3.14Å; E284-H288 PolarHBondContact O-N 3.25Å
285	F	36.3	Very low	35.3	Very low	97 Å²	97	121.9 Å²	121.9	43%	0.425	65%	0.648	S	S	.	*	H	α-helix	trans	-71.5	-31.8	176.6	-109.7	-85.2	0	0	0	113.9	L282 L283 F287 K289	L282-F285 PolarHBondContact O-N 2.8Å; L283-F285 VanDerWaalsContact C-N 3.29Å; L283-F285 PolarHBondContact O-N 2.99Å; F285-F287 VanDerWaalsContact C-N 3.3Å; F285-K289 HydrophobicContact CE1-CD 4.47Å
286	I	39.9	Very low	34.1	Very low	64 Å²	64	119.2 Å²	119.2	33%	0.328	64%	0.643	S	S	.	*	H	α-helix	trans	-66.6	-35.1	175.8	-70.7	162.4	0	0	0	110.7	L282 L283	L282-I286 WeakPolarHBondContact O-CD1 3.37Å; L282-I286 WeakPolarHBondContact O-CG1 3.5Å; L282-I286 PolarHBondContact O-N 2.93Å; L282-I286 VanDerWaalsContact O-N 3.09Å; L283-I286 PolarHBondContact O-N 3.27Å
287	F	39.9	Very low	33.7	Very low	152 Å²	152	122.3 Å²	122.3	67%	0.667	64%	0.644	S	S	*	*	H	α-helix	trans	-105.9	-18.6	-173.2	-64.8	-62.3	0	0	0	115.2	L283 E284 F285	L283-F287 HydrophobicContact CD2-CD2 4.35Å; L283-F287 HydrophobicContact CD2-CE2 3.7Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; L283-F287 PolarHBondContact O-N 3.2Å; E284-F287 PolarHBondContact O-N 2.87Å; F285-F287 VanDerWaalsContact C-N 3.3Å
288	H	32	Very low	33.2	Very low	147 Å²	147	125.6 Å²	125.6	68%	0.681	66%	0.656	S	S	*	*			trans	-125.1	89.8	-179.8	-81.2	28.4	0	0	0	110.6	E284	E284-H288 WeakPolarHBondContact O-CA 3.43Å; E284-H288 VanDerWaalsContact O-CB 3.28Å; E284-H288 WeakPolarHBondContact O-CB 3.14Å; E284-H288 PolarHBondContact O-N 3.25Å
289	K	35.7	Very low	33.3	Very low	146 Å²	146	124.1 Å²	124.1	64%	0.635	66%	0.656	S	S	*	*			trans	-135.5	120.5	148.4	-139.8	176.8	-177.1	-176.9	0	110.2	F285	F285-K289 HydrophobicContact CE1-CD 4.47Å
290	Q	31.4	Very low	33.5	Very low	178 Å²	178	125.5 Å²	125.5	83%	0.832	66%	0.656	S	S	*	*			trans	-52.2	145	-171.9	-76.9	152.4	-28.5	0	0	113.8	I292	Q290-I292 PolarHBondContact O-N 3.04Å
291	Q	27	Very low	34	Very low	195 Å²	195	125.5 Å²	125.5	91%	0.911	66%	0.657	S	S	*	*			trans	-21.2	99.1	156.3	-65.8	174.2	-12.2	0	0	112.9	S293	Q291-S293 PolarHBondContact O-N 2.61Å
292	I	32.3	Very low	35	Very low	164 Å²	164	126.3 Å²	126.3	84%	0.841	66%	0.657	S	S	*	*			trans	-80.7	110.2	155.3	-61.8	176.2	0	0	0	105.8	Q290	Q290-I292 PolarHBondContact O-N 3.04Å
293	S	28.4	Very low	36.3	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	65%	0.649	S	S	*	*			trans	-52.8	128.7	-178.5	39.5	0	0	0	0	112.7	Q291 C295	Q291-S293 PolarHBondContact O-N 2.61Å; S293-C295 PolarHBondContact O-N 2.79Å
294	S	26.6	Very low	38	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	63%	0.629	S	S	*	*			trans	13.5	99.8	145.8	59.3	0	0	0	0	117
295	C	26.2	Very low	39.8	Very low	99 Å²	99	122.3 Å²	122.3	67%	0.669	63%	0.629	S	S	*	*			trans	-91.3	87.8	140.2	-151	0	0	0	0	106.3	S293 R297	S293-C295 PolarHBondContact O-N 2.79Å; C295-R297 VanDerWaalsContact C-N 3.27Å; C295-R297 PolarHBondContact O-N 2.88Å
296	S	27.5	Very low	41.6	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	63%	0.627	S	S	*	*			trans	-65.7	93.3	165.5	59.4	0	0	0	0	107.3
297	R	33.1	Very low	43.5	Very low	210 Å²	210	121.3 Å²	121.3	79%	0.792	62%	0.624	S	S	*	*			trans	-116.5	112.5	159.8	-84.2	-171.8	-97.7	-177.1	-6.5	106.2	C295	C295-R297 VanDerWaalsContact C-N 3.27Å; C295-R297 PolarHBondContact O-N 2.88Å
298	D	30.2	Very low	45.5	Very low	135 Å²	135	114.1 Å²	114.1	72%	0.722	59%	0.592	S	S	*	*			trans	-43.2	137.4	177.4	-55.6	-45.6	0	0	0	110.1	L300	D298-L300 VanDerWaalsContact C-N 3.29Å; D298-L300 PolarHBondContact O-N 2.93Å
299	P	38.4	Very low	47.7	Very low	124 Å²	124	108.4 Å²	108.4	81%	0.805	57%	0.565	S	S	*	*			trans	-68.2	91.8	-178.8	29.5	-32	0	0	0	107.9
300	L	37	Very low	49.8	Very low	149 Å²	149	103.2 Å²	103.2	78%	0.78	54%	0.543	S	S	*	.			trans	-54.2	133.5	165.1	-84.6	110.9	0	0	0	107.5	D298 I302	D298-L300 VanDerWaalsContact C-N 3.29Å; D298-L300 PolarHBondContact O-N 2.93Å; L300-I302 PolarHBondContact O-N 3.15Å
301	P	44.3	Very low	52.2	Low	71 Å²	71	94.8 Å²	94.8	46%	0.461	50%	0.503	S	S	.	.			trans	-55.4	115	-176	20.6	-31.2	0	0	0	109	N303	P301-N303 PolarHBondContact O-N 3.23Å; P301-N303 VanDerWaalsContact O-N 3.15Å
302	I	58.4	Low	54.9	Low	90 Å²	90	86.3 Å²	86.3	46%	0.462	46%	0.464	S	S	.	.			trans	-72.5	109.6	-179.1	-62.7	176.3	0	0	0	106.6	L300 Q304 Q306 K307	L300-I302 PolarHBondContact O-N 3.15Å; I302-Q304 PolarHBondContact O-N 3.19Å; I302-Q306 HydrophobicContact CG2-CB 3.47Å; I302-Q306 VanDerWaalsContact CG2-CB 3.47Å; I302-K307 HydrophobicContact CG2-CB 4.13Å
303	N	66.6	Low	57.1	Low	73 Å²	73	84.3 Å²	84.3	39%	0.39	45%	0.446	S	S	.	.			trans	-50.7	143.6	172.8	-63.7	3.3	0	0	0	109.1	D240 P301 R305 Q306 K307	D240-N303 PolarHBondContact OD2-OD1 3.34Å; P301-N303 PolarHBondContact O-N 3.23Å; P301-N303 VanDerWaalsContact O-N 3.15Å; N303-R305 CarbonylContact O-C 3.52Å; N303-R305 PolarHBondContact O-N 3.12Å; N303-Q306 HydrophobicContact CB-CG 4.25Å; N303-Q306 WeakPolarHBondContact O-CA 3.5Å; N303-Q306 VanDerWaalsContact O-CB 3.31Å; N303-Q306 WeakPolarHBondContact O-CB 3.28Å; N303-Q306 PolarHBondContact O-N 3.31Å; N303-K307 PolarHBondContact O-N 3.39Å
304	Q	70.9	Confident	59.6	Low	40 Å²	40	80.4 Å²	80.4	19%	0.187	42%	0.417	C	S	.	.	H	α-helix	trans	-54.6	-33.3	-176.2	-65.9	-175.5	-0.9	0	0	113.6	V245 I247 I302 K307 L308	V245-Q304 PolarHBondContact O-NE2 3.32Å; V245-Q304 PolarHBondContact O-OE1 2.98Å; I247-Q304 HydrophobicContact CD1-CB 3.84Å; I247-Q304 HydrophobicContact CG1-CB 4.22Å; I302-Q304 PolarHBondContact O-N 3.19Å; Q304-K307 WeakPolarHBondContact O-CB 3.15Å; Q304-K307 PolarHBondContact O-N 3.07Å; Q304-L308 PolarHBondContact O-N 3.33Å
305	R	74.5	Confident	62.2	Low	128 Å²	128	75.8 Å²	75.8	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-43.3	170.6	-173.5	179.8	-179.3	-150.6	-3.4	113.1	E187 N303 K307 L308 F309	E187-R305 VanDerWaalsContact CD-NE 3.32Å; E187-R305 IonicContact OE1-CZ 2.79Å; E187-R305 IonicContact OE1-NE 3.25Å; E187-R305 PolarHBondContact OE1-NE 3.19Å; E187-R305 IonicContact OE1-NH1 2.71Å; E187-R305 IonicContact OE1-NH2 2.82Å; E187-R305 PolarHBondContact OE1-NH2 3.44Å; E187-R305 IonicContact OE2-CZ 2.69Å; E187-R305 IonicContact OE2-NE 3.27Å; E187-R305 PolarHBondContact OE2-NE 3.34Å; E187-R305 IonicContact OE2-NH2 3.03Å; N303-R305 CarbonylContact O-C 3.52Å; N303-R305 PolarHBondContact O-N 3.12Å; R305-K307 VanDerWaalsContact C-N 3.32Å; R305-L308 PolarHBondContact O-N 3.26Å; R305-F309 HydrophobicContact CG-CD2 4.19Å; R305-F309 HydrophobicContact CG-CE2 3.62Å; R305-F309 HydrophobicContact CG-CZ 4.34Å; R305-F309 WeakPolarHBondContact O-CD2 3.31Å; R305-F309 PolarHBondContact O-N 2.74Å; R305-F309 VanDerWaalsContact O-N 3.12Å
306	Q	74.1	Confident	64.8	Low	81 Å²	81	71.5 Å²	71.5	38%	0.379	36%	0.356	S	S	.	.	H	α-helix	trans	-67.7	-33.1	174.4	-65.9	175.2	-6.6	0	0	111.8	I302 N303 F309 K310	I302-Q306 HydrophobicContact CG2-CB 3.47Å; I302-Q306 VanDerWaalsContact CG2-CB 3.47Å; N303-Q306 HydrophobicContact CB-CG 4.25Å; N303-Q306 WeakPolarHBondContact O-CA 3.5Å; N303-Q306 VanDerWaalsContact O-CB 3.31Å; N303-Q306 WeakPolarHBondContact O-CB 3.28Å; N303-Q306 PolarHBondContact O-N 3.31Å; Q306-F309 PolarHBondContact O-N 3.21Å; Q306-K310 WeakPolarHBondContact O-CB 3.34Å; Q306-K310 PolarHBondContact O-N 3.01Å
307	K	79.3	Confident	67.5	Low	60 Å²	60	66.6 Å²	66.6	26%	0.261	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-45	173.5	-164.8	-175.6	176.7	-172.3	0	110.8	I247 F249 L257 I302 N303 Q304 R305 K310 A311	I247-K307 PolarHBondContact O-NZ 3.36Å; F249-K307 HydrophobicContact CD2-CD 4.38Å; F249-K307 HydrophobicContact CE2-CD 3.84Å; F249-K307 HydrophobicContact CE2-CG 3.87Å; L257-K307 HydrophobicContact CD1-CG 4.32Å; I302-K307 HydrophobicContact CG2-CB 4.13Å; N303-K307 PolarHBondContact O-N 3.39Å; Q304-K307 WeakPolarHBondContact O-CB 3.15Å; Q304-K307 PolarHBondContact O-N 3.07Å; R305-K307 VanDerWaalsContact C-N 3.32Å; K307-K310 PolarHBondContact O-N 3.3Å; K307-A311 WeakPolarHBondContact O-CB 3.38Å; K307-A311 PolarHBondContact O-N 3.15Å
308	L	81.7	Confident	69.8	Low	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-42.8	173.2	-69.9	171.5	0	0	0	112.5	L184 W188 V201 F216 I247 F249 Q304 R305 A311 Q312	L184-L308 HydrophobicContact CD1-CD1 4.27Å; W188-L308 HydrophobicContact CD2-CD1 4.17Å; W188-L308 HydrophobicContact CG-CD1 4.18Å; W188-L308 HydrophobicContact CH2-CB 4.16Å; W188-L308 HydrophobicContact CZ2-CB 3.56Å; W188-L308 HydrophobicContact CZ2-CD1 4.31Å; W188-L308 HydrophobicContact CZ2-CG 4.5Å; V201-L308 WeakPolarHBondContact CG1-O 3.26Å; V201-L308 HydrophobicContact CG2-CD2 3.52Å; F216-L308 HydrophobicContact CD1-CD2 3.88Å; F216-L308 HydrophobicContact CD2-CD2 4.11Å; F216-L308 HydrophobicContact CE1-CD2 3.68Å; F216-L308 HydrophobicContact CE2-CD2 3.93Å; F216-L308 HydrophobicContact CG-CD2 4.05Å; F216-L308 HydrophobicContact CZ-CD1 4.38Å; F216-L308 HydrophobicContact CZ-CD2 3.69Å; I247-L308 HydrophobicContact CD1-CD1 3.49Å; I247-L308 VanDerWaalsContact CD1-CD1 3.49Å; I247-L308 HydrophobicContact CD1-CD2 3.95Å; I247-L308 HydrophobicContact CD1-CG 3.55Å; I247-L308 HydrophobicContact CG2-CD2 4.1Å; F249-L308 HydrophobicContact CE1-CD2 4.31Å; F249-L308 HydrophobicContact CZ-CD2 3.82Å; Q304-L308 PolarHBondContact O-N 3.33Å; R305-L308 PolarHBondContact O-N 3.26Å; L308-A311 WeakPolarHBondContact O-CB 3.41Å; L308-A311 PolarHBondContact O-N 3.32Å; L308-Q312 PolarHBondContact O-N 3.05Å
309	F	79.1	Confident	72.4	Confident	27 Å²	27	53.9 Å²	53.9	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-41.3	177.2	-72	-48.2	0	0	0	113.5	W188 R305 Q306 A311 Q312 R313 S464	W188-F309 HydrophobicContact CH2-CD1 4.43Å; W188-F309 HydrophobicContact CH2-CE1 4.47Å; W188-F309 AromaticContact CZ2-CD1 3.93Å; W188-F309 HydrophobicContact CZ2-CD1 3.93Å; W188-F309 AromaticContact CZ2-CE1 3.74Å; W188-F309 HydrophobicContact CZ2-CE1 3.74Å; W188-F309 HydrophobicContact CZ2-CZ 4.48Å; R305-F309 HydrophobicContact CG-CD2 4.19Å; R305-F309 HydrophobicContact CG-CE2 3.62Å; R305-F309 HydrophobicContact CG-CZ 4.34Å; R305-F309 WeakPolarHBondContact O-CD2 3.31Å; R305-F309 PolarHBondContact O-N 2.74Å; R305-F309 VanDerWaalsContact O-N 3.12Å; Q306-F309 PolarHBondContact O-N 3.21Å; F309-A311 VanDerWaalsContact C-N 3.3Å; F309-A311 PolarHBondContact O-N 2.96Å; F309-Q312 PolarHBondContact O-N 3.39Å; F309-R313 WeakPolarHBondContact O-CG 3.32Å; F309-R313 PolarHBondContact O-N 3.45Å; F309-R313 VanDerWaalsContact O-N 3.08Å; F309-S464 VanDerWaalsContact CE1-CB 3.41Å
310	K	79.2	Confident	74.6	Confident	37 Å²	37	48 Å²	48	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-44.8	174.3	-170.3	-174.8	180	-167.2	0	110.1	L257 S260 G262 Q306 K307 Q312 R313 L314	L257-K310 HydrophobicContact CD2-CB 4.2Å; L257-K310 HydrophobicContact CD2-CD 3.99Å; L257-K310 HydrophobicContact CD2-CG 4.03Å; L257-K310 PolarHBondContact O-NZ 3.15Å; S260-K310 PolarHBondContact O-NZ 2.98Å; S260-K310 VanDerWaalsContact OG-CE 3.31Å; S260-K310 WeakPolarHBondContact OG-CE 3.11Å; S260-K310 PolarHBondContact OG-NZ 3.4Å; G262-K310 VanDerWaalsContact O-CE 3.31Å; G262-K310 WeakPolarHBondContact O-CE 3.33Å; Q306-K310 WeakPolarHBondContact O-CB 3.34Å; Q306-K310 PolarHBondContact O-N 3.01Å; K307-K310 PolarHBondContact O-N 3.3Å; K310-Q312 PolarHBondContact O-N 3.38Å; K310-R313 PolarHBondContact O-N 3.06Å; K310-L314 HydrophobicContact CG-CD1 4.22Å; K310-L314 WeakPolarHBondContact O-CG 3.34Å; K310-L314 PolarHBondContact O-N 3.31Å
311	A	82.2	Confident	76.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-46.9	176.9	0	0	0	0	0	112.5	V201 F249 M253 L257 K307 L308 F309 R313 L314 L315	V201-A311 HydrophobicContact CG1-CB 3.92Å; F249-A311 HydrophobicContact CE1-CB 3.78Å; F249-A311 HydrophobicContact CZ-CB 3.72Å; M253-A311 HydrophobicContact CE-CB 3.27Å; M253-A311 WeakPolarHBondContact CE-O 3.3Å; L257-A311 HydrophobicContact CD1-CB 4.37Å; L257-A311 HydrophobicContact CD2-CB 4.08Å; K307-A311 WeakPolarHBondContact O-CB 3.38Å; K307-A311 PolarHBondContact O-N 3.15Å; L308-A311 WeakPolarHBondContact O-CB 3.41Å; L308-A311 PolarHBondContact O-N 3.32Å; F309-A311 VanDerWaalsContact C-N 3.3Å; F309-A311 PolarHBondContact O-N 2.96Å; A311-R313 PolarHBondContact O-N 3.38Å; A311-L314 PolarHBondContact O-N 3Å; A311-L315 WeakPolarHBondContact O-CG 3.23Å; A311-L315 PolarHBondContact O-N 3.03Å; A311-L315 VanDerWaalsContact O-N 3.1Å
312	Q	83.4	Confident	78.6	Confident	17 Å²	17	40.4 Å²	40.4	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-42.6	179.2	-165.8	175.3	27.9	0	0	112.6	W188 V201 L203 L308 F309 K310 L315 A316	W188-Q312 HydrophobicContact CH2-CB 4.26Å; V201-Q312 VanDerWaalsContact CG1-CA 3.42Å; V201-Q312 HydrophobicContact CG1-CB 3.47Å; V201-Q312 VanDerWaalsContact CG1-CB 3.47Å; V201-Q312 HydrophobicContact CG1-CG 4.13Å; V201-Q312 VanDerWaalsContact CG1-N 3.26Å; L203-Q312 HydrophobicContact CD2-CG 4.16Å; L308-Q312 PolarHBondContact O-N 3.05Å; F309-Q312 PolarHBondContact O-N 3.39Å; K310-Q312 PolarHBondContact O-N 3.38Å; Q312-L315 PolarHBondContact O-N 3.1Å; Q312-A316 WeakPolarHBondContact O-CB 3.46Å; Q312-A316 PolarHBondContact O-N 3.4Å
313	R	78.5	Confident	79.8	Confident	123 Å²	123	38.2 Å²	38.2	46%	0.464	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-43.8	178.3	-74.3	179.3	171.5	-172.1	-3.5	112	F309 K310 A311 L315 A316 C317	F309-R313 WeakPolarHBondContact O-CG 3.32Å; F309-R313 PolarHBondContact O-N 3.45Å; F309-R313 VanDerWaalsContact O-N 3.08Å; K310-R313 PolarHBondContact O-N 3.06Å; A311-R313 PolarHBondContact O-N 3.38Å; R313-L315 PolarHBondContact O-N 3.16Å; R313-A316 PolarHBondContact O-N 3.16Å; R313-C317 PolarHBondContact O-N 2.75Å; R313-C317 PolarHBondContact O-SG 3.5Å
314	L	79.9	Confident	80.6	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.073	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-44.1	177.4	-72	170.4	0	0	0	111.8	L257 S260 K310 A311 C317 R318	L257-L314 HydrophobicContact CD2-CD1 3.83Å; S260-L314 WeakPolarHBondContact OG-CD1 3.31Å; K310-L314 HydrophobicContact CG-CD1 4.22Å; K310-L314 WeakPolarHBondContact O-CG 3.34Å; K310-L314 PolarHBondContact O-N 3.31Å; A311-L314 PolarHBondContact O-N 3Å; L314-C317 PolarHBondContact O-N 3.17Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.09Å
315	L	81.8	Confident	81.2	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-42.7	175.9	-71.5	172.6	0	0	0	111.8	E212 M253 A311 Q312 R313 C317 R318 E319	E212-L315 HydrophobicContact CB-CD2 4.23Å; M253-L315 HydrophobicContact CE-CD1 4.27Å; M253-L315 HydrophobicContact CE-CG 4.03Å; M253-L315 HydrophobicContact SD-CD2 4.4Å; M253-L315 HydrophobicContact SD-CG 4.5Å; A311-L315 WeakPolarHBondContact O-CG 3.23Å; A311-L315 PolarHBondContact O-N 3.03Å; A311-L315 VanDerWaalsContact O-N 3.1Å; Q312-L315 PolarHBondContact O-N 3.1Å; R313-L315 PolarHBondContact O-N 3.16Å; L315-C317 PolarHBondContact O-N 2.58Å; L315-R318 PolarHBondContact O-N 3.13Å; L315-E319 WeakPolarHBondContact O-CB 3.14Å; L315-E319 PolarHBondContact O-N 3.39Å
316	A	81.3	Confident	81.4	Confident	9 Å²	9	32 Å²	32	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-41	176.4	0	0	0	0	0	112.4	L203 Q312 R313 E319 I320 L409	L203-A316 HydrophobicContact CD1-CB 3.84Å; Q312-A316 WeakPolarHBondContact O-CB 3.46Å; Q312-A316 PolarHBondContact O-N 3.4Å; R313-A316 PolarHBondContact O-N 3.16Å; A316-E319 PolarHBondContact O-N 3.06Å; A316-I320 VanDerWaalsContact O-CG1 3.31Å; A316-I320 WeakPolarHBondContact O-CG1 3.38Å; A316-I320 PolarHBondContact O-N 3.11Å; A316-L409 HydrophobicContact CB-CD2 4.36Å
317	C	82.6	Confident	81.5	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-67.1	-42.5	176.8	-70.3	0	0	0	0	112.1	G264 R313 L314 L315 E319 I320 L321	G264-C317 PolarHBondContact O-SG 2.98Å; R313-C317 PolarHBondContact O-N 2.75Å; R313-C317 PolarHBondContact O-SG 3.5Å; L314-C317 PolarHBondContact O-N 3.17Å; L315-C317 PolarHBondContact O-N 2.58Å; C317-E319 VanDerWaalsContact C-N 3.32Å; C317-I320 PolarHBondContact O-N 3.08Å; C317-L321 WeakPolarHBondContact O-CG 3.47Å; C317-L321 PolarHBondContact O-N 3.44Å
318	R	83.2	Confident	81.4	Confident	70 Å²	70	27.1 Å²	27.1	26%	0.264	14%	0.137	S	C	.	.	H	α-helix	trans	-64.6	-37.6	175.1	-72.9	179	74.2	95.7	-0.8	111.7	F210 E212 L256 L314 L315 L321 S322	F210-R318 HydrophobicContact CE1-CB 3.98Å; F210-R318 HydrophobicContact CZ-CB 3.92Å; E212-R318 VanDerWaalsContact CD-NE 3.3Å; E212-R318 IonicContact OE1-CZ 3.86Å; E212-R318 VanDerWaalsContact OE1-CZ 3.27Å; E212-R318 IonicContact OE1-NE 3.61Å; E212-R318 PolarHBondContact OE1-NE 3.46Å; E212-R318 IonicContact OE1-NH2 3.71Å; E212-R318 PolarHBondContact OE1-NH2 3.34Å; E212-R318 WeakPolarHBondContact OE2-CD 3.12Å; E212-R318 IonicContact OE2-CZ 2.76Å; E212-R318 IonicContact OE2-NE 2.78Å; E212-R318 PolarHBondContact OE2-NE 3.43Å; E212-R318 IonicContact OE2-NH2 3.39Å; L256-R318 VanDerWaalsContact CD2-NH1 3.31Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.09Å; L315-R318 PolarHBondContact O-N 3.13Å; R318-L321 PolarHBondContact O-N 3.47Å; R318-S322 VanDerWaalsContact O-CB 3.25Å; R318-S322 WeakPolarHBondContact O-CB 3.49Å; R318-S322 PolarHBondContact O-N 2.97Å
319	E	84.1	Confident	81	Confident	9 Å²	9	30.3 Å²	30.3	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-47.2	173.9	-178.2	174.1	-163.9	0	0	111.5	S208 F210 L315 A316 C317 L321 S322 M323 L409 H413	S208-E319 VanDerWaalsContact CB-OE1 3.31Å; S208-E319 WeakPolarHBondContact CB-OE1 3.43Å; S208-E319 PolarHBondContact OG-OE1 2.81Å; S208-E319 PolarHBondContact OG-OE2 2.83Å; S208-E319 VanDerWaalsContact OG-OE2 3.13Å; F210-E319 HydrophobicContact CB-CB 4.19Å; F210-E319 HydrophobicContact CB-CG 3.89Å; F210-E319 HydrophobicContact CD1-CB 4.06Å; F210-E319 HydrophobicContact CD2-CB 4.06Å; F210-E319 HydrophobicContact CD2-CG 4.13Å; F210-E319 HydrophobicContact CE1-CB 4.47Å; F210-E319 HydrophobicContact CG-CB 3.84Å; F210-E319 HydrophobicContact CG-CG 3.99Å; L315-E319 WeakPolarHBondContact O-CB 3.14Å; L315-E319 PolarHBondContact O-N 3.39Å; A316-E319 PolarHBondContact O-N 3.06Å; C317-E319 VanDerWaalsContact C-N 3.32Å; E319-L321 PolarHBondContact O-N 3.35Å; E319-S322 PolarHBondContact O-N 3.1Å; E319-M323 HydrophobicContact CG-CE 4.28Å; E319-M323 WeakPolarHBondContact O-CG 3.33Å; E319-M323 PolarHBondContact O-N 3.38Å; E319-L409 HydrophobicContact CG-CD1 3.97Å; E319-H413 IonicContact OE1-CD2 2.83Å; E319-H413 IonicContact OE1-CE1 3.95Å; E319-H413 PolarHBondContact OE1-CE1 3.33Å; E319-H413 IonicContact OE1-NE2 3.49Å; E319-H413 PolarHBondContact OE1-NE2 3.39Å; E319-H413 IonicContact OE2-CE1 2.98Å; E319-H413 PolarHBondContact OE2-CE1 2.96Å; E319-H413 VanDerWaalsContact OE2-CE1 3.31Å; E319-H413 IonicContact OE2-NE2 3.25Å; E319-H413 PolarHBondContact OE2-NE2 2.9Å
320	I	84	Confident	80.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-49.9	175.9	-69.4	164.3	0	0	0	110.7	L266 A316 C317 S322 M323 L324 L405 L409	L266-I320 HydrophobicContact CD2-CG2 4.45Å; A316-I320 VanDerWaalsContact O-CG1 3.31Å; A316-I320 WeakPolarHBondContact O-CG1 3.38Å; A316-I320 PolarHBondContact O-N 3.11Å; C317-I320 PolarHBondContact O-N 3.08Å; I320-S322 VanDerWaalsContact C-N 3.35Å; I320-S322 PolarHBondContact O-N 3.01Å; I320-M323 PolarHBondContact O-N 3.44Å; I320-L324 HydrophobicContact CG2-CD1 3.68Å; I320-L324 HydrophobicContact CG2-CG 4.29Å; I320-L324 WeakPolarHBondContact O-CB 3.38Å; I320-L324 VanDerWaalsContact O-CG 3.24Å; I320-L324 WeakPolarHBondContact O-CG 3.49Å; I320-L324 PolarHBondContact O-N 2.92Å; I320-L405 HydrophobicContact CD1-CB 4.37Å; I320-L405 HydrophobicContact CG2-CD1 4.46Å; I320-L405 HydrophobicContact CG2-CD2 4.39Å; I320-L409 HydrophobicContact CD1-CD2 4.13Å; I320-L409 HydrophobicContact CG1-CB 4.27Å; I320-L409 HydrophobicContact CG1-CD1 4.33Å; I320-L409 HydrophobicContact CG1-CD2 3.93Å; I320-L409 HydrophobicContact CG1-CG 4.41Å
321	L	84.1	Confident	79.7	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-39.5	179.8	-74.4	172.9	0	0	0	112.2	L266 C317 R318 E319 S325 I349 L361 S363	L266-L321 HydrophobicContact CD1-CD1 4.06Å; L266-L321 HydrophobicContact CD1-CD2 3.77Å; L266-L321 HydrophobicContact CD1-CG 3.86Å; C317-L321 WeakPolarHBondContact O-CG 3.47Å; C317-L321 PolarHBondContact O-N 3.44Å; R318-L321 PolarHBondContact O-N 3.47Å; E319-L321 PolarHBondContact O-N 3.35Å; L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3Å; L321-I349 HydrophobicContact CD2-CD1 3.87Å; L321-I349 HydrophobicContact CD2-CG1 4.18Å; L321-I349 WeakPolarHBondContact O-CD1 3.44Å; L321-L361 HydrophobicContact CD2-CB 4.32Å; L321-S363 VanDerWaalsContact CD1-CB 3.44Å
322	S	82.6	Confident	78.4	Confident	48 Å²	48	40.2 Å²	40.2	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-46	176.5	-176.6	0	0	0	0	111.4	F210 R318 E319 I320 S325 C326	F210-S322 VanDerWaalsContact CE2-CB 3.5Å; R318-S322 VanDerWaalsContact O-CB 3.25Å; R318-S322 WeakPolarHBondContact O-CB 3.49Å; R318-S322 PolarHBondContact O-N 2.97Å; E319-S322 PolarHBondContact O-N 3.1Å; I320-S322 VanDerWaalsContact C-N 3.35Å; I320-S322 PolarHBondContact O-N 3.01Å; S322-S325 PolarHBondContact O-N 2.89Å; S322-C326 WeakPolarHBondContact O-CB 3.38Å; S322-C326 PolarHBondContact O-N 3.49Å; S322-C326 PolarHBondContact O-SG 3.31Å
323	M	82.6	Confident	76.7	Confident	45 Å²	45	45.7 Å²	45.7	22%	0.222	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-47.2	178.5	-71.8	-166.7	-60.6	0	0	111.6	E319 I320 S325 C326 E327 L409 L581	E319-M323 HydrophobicContact CG-CE 4.28Å; E319-M323 WeakPolarHBondContact O-CG 3.33Å; E319-M323 PolarHBondContact O-N 3.38Å; I320-M323 PolarHBondContact O-N 3.44Å; M323-S325 VanDerWaalsContact C-N 3.28Å; M323-S325 PolarHBondContact O-N 2.93Å; M323-C326 PolarHBondContact O-N 3.47Å; M323-E327 WeakPolarHBondContact O-CB 3.48Å; M323-E327 WeakPolarHBondContact O-CG 3.47Å; M323-E327 PolarHBondContact O-N 3.07Å; M323-L409 HydrophobicContact CE-CD1 3.15Å; M323-L409 HydrophobicContact SD-CD1 4.41Å; M323-L581 HydrophobicContact CB-CD2 4.18Å; M323-L581 HydrophobicContact CE-CD2 3.66Å
324	L	83.9	Confident	75.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-35.4	177.6	-69.2	174.7	0	0	0	112.1	I320 A328 I349 L361 L405 L581 L582	I320-L324 HydrophobicContact CG2-CD1 3.68Å; I320-L324 HydrophobicContact CG2-CG 4.29Å; I320-L324 WeakPolarHBondContact O-CB 3.38Å; I320-L324 VanDerWaalsContact O-CG 3.24Å; I320-L324 WeakPolarHBondContact O-CG 3.49Å; I320-L324 PolarHBondContact O-N 2.92Å; L324-A328 WeakPolarHBondContact O-CB 3.42Å; L324-A328 PolarHBondContact O-N 3.12Å; L324-I349 HydrophobicContact CB-CD1 3.24Å; L324-I349 HydrophobicContact CD1-CD1 4.27Å; L324-I349 HydrophobicContact CG-CD1 4.41Å; L324-L361 HydrophobicContact CD1-CD1 3.53Å; L324-L405 HydrophobicContact CD1-CD2 4.42Å; L324-L581 HydrophobicContact CD2-CB 4.16Å; L324-L581 HydrophobicContact CD2-CD2 3.84Å; L324-L581 HydrophobicContact CD2-CG 3.88Å; L324-L581 HydrophobicContact CG-CD2 4Å; L324-L582 HydrophobicContact CD2-CB 3.92Å; L324-L582 HydrophobicContact CD2-CD1 4.08Å
325	S	82.3	Confident	73.8	Confident	32 Å²	32	44.9 Å²	44.9	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-43	177.1	179	0	0	0	0	111.9	L321 S322 M323 A328 S329 A344	L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3Å; S322-S325 PolarHBondContact O-N 2.89Å; M323-S325 VanDerWaalsContact C-N 3.28Å; M323-S325 PolarHBondContact O-N 2.93Å; S325-A328 PolarHBondContact O-N 3.08Å; S325-S329 WeakPolarHBondContact O-CB 3.49Å; S325-S329 PolarHBondContact O-N 3.15Å; S325-S329 PolarHBondContact O-OG 3.13Å; S325-A344 WeakPolarHBondContact OG-CB 3.48Å
326	C	78.5	Confident	72.1	Confident	77 Å²	77	53.3 Å²	53.3	52%	0.52	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-49.7	172	-71.6	0	0	0	0	110.8	S322 M323 A328 S329 T330	S322-C326 WeakPolarHBondContact O-CB 3.38Å; S322-C326 PolarHBondContact O-N 3.49Å; S322-C326 PolarHBondContact O-SG 3.31Å; M323-C326 PolarHBondContact O-N 3.47Å; C326-A328 PolarHBondContact O-N 2.98Å; C326-S329 WeakPolarHBondContact O-CB 3.31Å; C326-S329 PolarHBondContact O-N 2.88Å; C326-T330 PolarHBondContact O-N 3.4Å; C326-T330 PolarHBondContact O-OG1 2.89Å
327	E	77.5	Confident	70.2	Confident	37 Å²	37	61 Å²	61	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-38.7	179.5	-71.7	-179.9	179.9	0	0	112.7	M323 S329 T330 S331 L581 L582	M323-E327 WeakPolarHBondContact O-CB 3.48Å; M323-E327 WeakPolarHBondContact O-CG 3.47Å; M323-E327 PolarHBondContact O-N 3.07Å; E327-S329 VanDerWaalsContact C-N 3.28Å; E327-S329 PolarHBondContact O-N 3.19Å; E327-T330 VanDerWaalsContact CA-OG1 3.31Å; E327-T330 WeakPolarHBondContact CA-OG1 3.43Å; E327-T330 PolarHBondContact O-N 2.82Å; E327-T330 PolarHBondContact O-OG1 3.33Å; E327-S331 WeakPolarHBondContact O-CB 3.31Å; E327-S331 PolarHBondContact O-N 2.93Å; E327-L581 VanDerWaalsContact CD-N 3.31Å; E327-L581 WeakPolarHBondContact OE1-CB 3.48Å; E327-L581 PolarHBondContact OE1-N 2.77Å; E327-L581 WeakPolarHBondContact OE2-CA 3.31Å; E327-L581 WeakPolarHBondContact OE2-CB 3.25Å; E327-L581 PolarHBondContact OE2-N 2.78Å; E327-L582 HydrophobicContact CB-CB 3.98Å; E327-L582 HydrophobicContact CB-CD2 4.33Å; E327-L582 WeakPolarHBondContact OE2-CB 3.47Å; E327-L582 PolarHBondContact OE2-N 2.77Å
328	A	76.6	Confident	68.7	Low	2 Å²	2	64.5 Å²	64.5	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-34.7	176.1	0	0	0	0	0	112.1	L324 S325 C326 S331 A342 A344 L582	L324-A328 WeakPolarHBondContact O-CB 3.42Å; L324-A328 PolarHBondContact O-N 3.12Å; S325-A328 PolarHBondContact O-N 3.08Å; C326-A328 PolarHBondContact O-N 2.98Å; A328-S331 PolarHBondContact O-N 3.28Å; A328-A342 HydrophobicContact CB-CB 3.89Å; A328-A344 HydrophobicContact CB-CB 4.1Å; A328-L582 HydrophobicContact CB-CD2 3.83Å
329	S	73.8	Confident	67.3	Low	68 Å²	68	64.1 Å²	64.1	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-71.3	-39.2	177.5	-58.1	0	0	0	0	111.8	S325 C326 E327	S325-S329 WeakPolarHBondContact O-CB 3.49Å; S325-S329 PolarHBondContact O-N 3.15Å; S325-S329 PolarHBondContact O-OG 3.13Å; C326-S329 WeakPolarHBondContact O-CB 3.31Å; C326-S329 PolarHBondContact O-N 2.88Å; E327-S329 VanDerWaalsContact C-N 3.28Å; E327-S329 PolarHBondContact O-N 3.19Å
330	T	69.5	Low	66.2	Low	97 Å²	97	63.9 Å²	63.9	60%	0.595	36%	0.356	S	S	*	.	H	α-helix	trans	-74.5	-26.4	174.6	52.2	0	0	0	0	112.9	C326 E327 K332	C326-T330 PolarHBondContact O-N 3.4Å; C326-T330 PolarHBondContact O-OG1 2.89Å; E327-T330 VanDerWaalsContact CA-OG1 3.31Å; E327-T330 WeakPolarHBondContact CA-OG1 3.43Å; E327-T330 PolarHBondContact O-N 2.82Å; E327-T330 PolarHBondContact O-OG1 3.33Å; T330-K332 PolarHBondContact O-N 2.92Å
331	S	61.9	Low	65.4	Low	30 Å²	30	68 Å²	68	21%	0.21	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-73	-7.9	-176.5	-171.1	0	0	0	0	114.3	E327 A328 E333 Y334 N335	E327-S331 WeakPolarHBondContact O-CB 3.31Å; E327-S331 PolarHBondContact O-N 2.93Å; A328-S331 PolarHBondContact O-N 3.28Å; S331-E333 PolarHBondContact O-N 3.11Å; S331-Y334 PolarHBondContact O-N 2.92Å; S331-N335 PolarHBondContact O-ND2 2.96Å; S331-N335 PolarHBondContact O-OD1 3.48Å
332	K	54.5	Low	64.8	Low	146 Å²	146	67.8 Å²	67.8	64%	0.635	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22.9	-177.7	-75.4	-176.3	178.3	177.1	0	113.8	T330	T330-K332 PolarHBondContact O-N 2.92Å
333	E	48.7	Very low	64.5	Low	132 Å²	132	70.3 Å²	70.3	62%	0.617	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-89.6	-12.2	178.2	-68.6	-178.1	168	0	0	114.1	S331	S331-E333 PolarHBondContact O-N 3.11Å
334	Y	46.5	Very low	64.1	Low	83 Å²	83	69.3 Å²	69.3	33%	0.325	39%	0.385	S	S	.	.	S	Bend	trans	-96.5	-2.3	-171.3	-74.7	-77.4	0	0	0	115.5	S331 H336 L562	S331-Y334 PolarHBondContact O-N 2.92Å; Y334-H336 VanDerWaalsContact C-N 3.28Å; Y334-H336 PolarHBondContact O-N 3.12Å; Y334-H336 VanDerWaalsContact O-N 3.14Å; Y334-L562 HydrophobicContact CD1-CD2 4.29Å; Y334-L562 HydrophobicContact CE1-CB 3.65Å; Y334-L562 HydrophobicContact CE1-CD1 3.92Å; Y334-L562 HydrophobicContact CE1-CD2 3.54Å; Y334-L562 HydrophobicContact CE1-CG 3.86Å; Y334-L562 WeakPolarHBondContact OH-CB 3.41Å; Y334-L562 WeakPolarHBondContact OH-CD1 3.13Å
335	N	49.7	Very low	63.5	Low	36 Å²	36	71.7 Å²	71.7	19%	0.193	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.5	-162.7	-66.2	-23.3	0	0	0	115.6	S331 L337 S340	S331-N335 PolarHBondContact O-ND2 2.96Å; S331-N335 PolarHBondContact O-OD1 3.48Å; N335-L337 PolarHBondContact O-N 3.44Å; N335-S340 PolarHBondContact OD1-O 2.76Å
336	H	45.3	Very low	62.9	Low	186 Å²	186	79.1 Å²	79.1	86%	0.861	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.6	-177.9	-74.8	-64.6	0	0	0	114.5	Y334	Y334-H336 VanDerWaalsContact C-N 3.28Å; Y334-H336 PolarHBondContact O-N 3.12Å; Y334-H336 VanDerWaalsContact O-N 3.14Å
337	L	42.1	Very low	62.6	Low	169 Å²	169	78.6 Å²	78.6	89%	0.885	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-18.2	-174.1	-78.3	134.3	0	0	0	114.6	N335	N335-L337 PolarHBondContact O-N 3.44Å
338	T	50.9	Low	62.7	Low	76 Å²	76	81.6 Å²	81.6	47%	0.466	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-1.1	-172.5	52.2	0	0	0	0	115.1	S340 R590	T338-S340 PolarHBondContact O-N 3.47Å; T338-R590 PolarHBondContact O-NH2 2.78Å
339	G	54.4	Low	63	Low	61 Å²	61	81.7 Å²	81.7	63%	0.629	44%	0.435	S	S	*	.			trans	60	7.5	175.7	0	0	0	0	0	115.4	T352	G339-T352 PolarHBondContact O-OG1 2.85Å
340	S	60.9	Low	63.4	Low	5 Å²	5	79.6 Å²	79.6	4%	0.035	42%	0.419	C	S	.	.			trans	-88.9	122.8	178.6	-82.9	0	0	0	0	109.6	N335 T338 T352 R590	N335-S340 PolarHBondContact OD1-O 2.76Å; T338-S340 PolarHBondContact O-N 3.47Å; S340-T352 WeakPolarHBondContact CA-OG1 3.35Å; S340-T352 WeakPolarHBondContact CB-O 3.35Å; S340-T352 PolarHBondContact OG-O 3.22Å; S340-R590 VanDerWaalsContact OG-CZ 3.26Å; S340-R590 PolarHBondContact OG-NH2 2.86Å
341	V	67.5	Low	64.1	Low	87 Å²	87	75.1 Å²	75.1	53%	0.527	39%	0.391	S	S	.	.			trans	-106.7	121.6	170.4	179.9	0	0	0	0	106.9	A351 T352	V341-A351 WeakPolarHBondContact O-CA 3.4Å; V341-T352 HydrophobicContact CB-CG2 4.38Å; V341-T352 PolarHBondContact N-OG1 3.46Å; V341-T352 PolarHBondContact O-N 3.36Å
342	A	71.6	Confident	65.1	Low	7 Å²	7	75.1 Å²	75.1	6%	0.058	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.3	173.1	0	0	0	0	0	110.1	A328 I350 A351 L582	A328-A342 HydrophobicContact CB-CB 3.89Å; A342-I350 CarbonylContact C-O 3.48Å; A342-I350 WeakPolarHBondContact CA-O 3.35Å; A342-A351 HydrophobicContact CB-CB 4.07Å; A342-L582 HydrophobicContact CB-CD2 4.03Å
343	F	75.4	Confident	66.3	Low	100 Å²	100	68.2 Å²	68.2	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.9	176	178	-106.1	0	0	0	108.7	T345 I349 I350	F343-T345 HydrophobicContact CD1-CG2 4.12Å; F343-T345 HydrophobicContact CE1-CG2 3.32Å; F343-T345 HydrophobicContact CZ-CG2 3.92Å; F343-I349 WeakPolarHBondContact O-CA 3.41Å; F343-I350 PolarHBondContact N-O 3.03Å; F343-I350 PolarHBondContact O-N 2.9Å
344	A	73.6	Confident	67.7	Low	25 Å²	25	62.7 Å²	62.7	21%	0.207	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.3	177.8	0	0	0	0	0	110.7	S325 A328 I349	S325-A344 WeakPolarHBondContact OG-CB 3.48Å; A328-A344 HydrophobicContact CB-CB 4.1Å; A344-I349 HydrophobicContact CB-CG1 4.25Å
345	T	72.6	Confident	69	Low	49 Å²	49	64.8 Å²	64.8	30%	0.301	36%	0.358	S	S	.	.			trans	-108.6	171.5	163	61.4	0	0	0	0	108.9	F343 D347 K348	F343-T345 HydrophobicContact CD1-CG2 4.12Å; F343-T345 HydrophobicContact CE1-CG2 3.32Å; F343-T345 HydrophobicContact CZ-CG2 3.92Å; T345-D347 PolarHBondContact O-N 3.17Å; T345-K348 WeakPolarHBondContact CA-O 3.35Å; T345-K348 PolarHBondContact N-O 3.4Å; T345-K348 WeakPolarHBondContact OG1-CA 3.32Å; T345-K348 WeakPolarHBondContact OG1-CB 3.41Å; T345-K348 PolarHBondContact OG1-N 3.03Å; T345-K348 PolarHBondContact OG1-O 2.99Å
346	Q	68.9	Low	70.1	Confident	189 Å²	189	64.6 Å²	64.6	88%	0.883	37%	0.365	S	S	*	.	S	Bend	trans	-56.9	-36.2	-179.3	-73.8	179.8	-14.5	0	0	113.3
347	D	72.4	Confident	71.8	Confident	66 Å²	66	56.1 Å²	56.1	35%	0.353	33%	0.326	S	S	.	.	S	Bend	trans	-115.2	-9.4	-174.7	-64	-43.8	0	0	0	114.6	T345 S362 S363	T345-D347 PolarHBondContact O-N 3.17Å; D347-S362 WeakPolarHBondContact O-CA 2.83Å; D347-S363 PolarHBondContact O-N 3.22Å; D347-S363 VanDerWaalsContact O-N 3.1Å
348	K	79.6	Confident	73.8	Confident	100 Å²	100	50.1 Å²	50.1	44%	0.435	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144	-175.7	-48.3	-173.3	179.2	173.4	0	112.1	T345 L361	T345-K348 WeakPolarHBondContact CA-O 3.35Å; T345-K348 PolarHBondContact N-O 3.4Å; T345-K348 WeakPolarHBondContact OG1-CA 3.32Å; T345-K348 WeakPolarHBondContact OG1-CB 3.41Å; T345-K348 PolarHBondContact OG1-N 3.03Å; T345-K348 PolarHBondContact OG1-O 2.99Å; K348-L361 CarbonylContact C-O 3.56Å; K348-L361 VanDerWaalsContact CA-O 3.24Å; K348-L361 WeakPolarHBondContact CA-O 2.85Å
349	I	83	Confident	75.3	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.6	174.6	-56.4	174.6	0	0	0	107.9	L321 L324 F343 A344 C360 L361	L321-I349 HydrophobicContact CD2-CD1 3.87Å; L321-I349 HydrophobicContact CD2-CG1 4.18Å; L321-I349 WeakPolarHBondContact O-CD1 3.44Å; L324-I349 HydrophobicContact CB-CD1 3.24Å; L324-I349 HydrophobicContact CD1-CD1 4.27Å; L324-I349 HydrophobicContact CG-CD1 4.41Å; F343-I349 WeakPolarHBondContact O-CA 3.41Å; A344-I349 HydrophobicContact CB-CG1 4.25Å; I349-C360 CarbonylContact O-C 3.59Å; I349-C360 WeakPolarHBondContact O-CA 3.32Å; I349-L361 HydrophobicContact CB-CB 4.37Å; I349-L361 PolarHBondContact N-O 3.02Å; I349-L361 PolarHBondContact O-N 2.93Å
350	I	83	Confident	76.8	Confident	25 Å²	25	44.2 Å²	44.2	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.4	179.7	-60	169.7	0	0	0	107.6	A342 F343 Q358 I359 C360	A342-I350 CarbonylContact C-O 3.48Å; A342-I350 WeakPolarHBondContact CA-O 3.35Å; F343-I350 PolarHBondContact N-O 3.03Å; F343-I350 PolarHBondContact O-N 2.9Å; I350-Q358 HydrophobicContact CG2-CB 4.22Å; I350-I359 CarbonylContact C-O 3.46Å; I350-I359 VanDerWaalsContact CA-O 3.26Å; I350-I359 WeakPolarHBondContact CA-O 3.31Å; I350-C360 HydrophobicContact CG1-CB 4.38Å
351	A	82.9	Confident	77.9	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.7	174.8	0	0	0	0	0	111	V341 A342 L353 Q358 I359 I586	V341-A351 WeakPolarHBondContact O-CA 3.4Å; A342-A351 HydrophobicContact CB-CB 4.07Å; A351-L353 PolarHBondContact O-N 3.46Å; A351-Q358 CarbonylContact O-C 3.58Å; A351-Q358 WeakPolarHBondContact O-CA 3.32Å; A351-I359 HydrophobicContact CB-CG2 3.83Å; A351-I359 PolarHBondContact N-O 3.45Å; A351-I359 WeakPolarHBondContact O-CG2 3.34Å; A351-I359 PolarHBondContact O-N 2.87Å; A351-I586 HydrophobicContact CB-CD1 4.15Å; A351-I586 HydrophobicContact CB-CG1 4.23Å
352	T	82.7	Confident	78.4	Confident	30 Å²	30	40.5 Å²	40.5	18%	0.184	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.1	173.9	66	0	0	0	0	109.6	G339 S340 V341 Q358	G339-T352 PolarHBondContact O-OG1 2.85Å; S340-T352 WeakPolarHBondContact CA-OG1 3.35Å; S340-T352 WeakPolarHBondContact CB-O 3.35Å; S340-T352 PolarHBondContact OG-O 3.22Å; V341-T352 HydrophobicContact CB-CG2 4.38Å; V341-T352 PolarHBondContact N-OG1 3.46Å; V341-T352 PolarHBondContact O-N 3.36Å; T352-Q358 HydrophobicContact CG2-CG 4.09Å
353	L	81.2	Confident	78.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-52.1	175	-61.9	179.1	0	0	0	109.5	F270 A351 V357 I359 I586 R590	F270-L353 HydrophobicContact CD1-CD1 3.63Å; F270-L353 HydrophobicContact CE1-CD1 3.33Å; A351-L353 PolarHBondContact O-N 3.46Å; L353-V357 HydrophobicContact CD1-CG1 4.43Å; L353-V357 PolarHBondContact N-O 2.77Å; L353-I359 HydrophobicContact CD1-CB 4.04Å; L353-I359 HydrophobicContact CD1-CG2 4.41Å; L353-I359 HydrophobicContact CD2-CB 4.3Å; L353-I359 HydrophobicContact CD2-CG2 3.76Å; L353-I359 HydrophobicContact CG-CB 4.14Å; L353-I359 HydrophobicContact CG-CG2 4Å; L353-I586 HydrophobicContact CD2-CG2 4.13Å; L353-R590 HydrophobicContact CB-CG 4.12Å; L353-R590 HydrophobicContact CD2-CG 4.09Å; L353-R590 VanDerWaalsContact O-CZ 3.32Å; L353-R590 PolarHBondContact O-NE 2.75Å; L353-R590 PolarHBondContact O-NH2 2.76Å
354	F	77.6	Confident	77.7	Confident	16 Å²	16	40.1 Å²	40.1	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163	-179	-54.6	-57.3	0	0	0	109.1	G356 V357 R590 Y593 L594 M668	F354-G356 PolarHBondContact O-N 3.26Å; F354-G356 VanDerWaalsContact O-N 3.09Å; F354-V357 HydrophobicContact CB-CB 4.25Å; F354-V357 HydrophobicContact CD2-CB 4.43Å; F354-V357 PolarHBondContact N-O 3.48Å; F354-V357 PolarHBondContact O-N 3.38Å; F354-R590 HydrophobicContact CD1-CG 4.49Å; F354-R590 HydrophobicContact CE1-CB 4.14Å; F354-R590 HydrophobicContact CE1-CG 3.78Å; F354-R590 HydrophobicContact CE2-CB 4.31Å; F354-R590 HydrophobicContact CE2-CG 4.21Å; F354-R590 HydrophobicContact CZ-CB 3.61Å; F354-R590 HydrophobicContact CZ-CG 3.62Å; F354-Y593 AromaticContact CD2-CD1 3.74Å; F354-Y593 HydrophobicContact CD2-CD1 3.74Å; F354-Y593 AromaticContact CD2-CE1 3.99Å; F354-Y593 HydrophobicContact CD2-CE1 3.99Å; F354-Y593 AromaticContact CE2-CD1 3.46Å; F354-Y593 HydrophobicContact CE2-CD1 3.46Å; F354-Y593 VanDerWaalsContact CE2-CD1 3.46Å; F354-Y593 HydrophobicContact CE2-CE1 4.15Å; F354-Y593 HydrophobicContact CE2-CG 4.15Å; F354-L594 HydrophobicContact CE1-CD1 4.31Å; F354-L594 HydrophobicContact CE2-CD2 4.31Å; F354-L594 HydrophobicContact CE2-CG 4.05Å; F354-L594 HydrophobicContact CZ-CD1 3.73Å; F354-L594 HydrophobicContact CZ-CD2 4.05Å; F354-L594 HydrophobicContact CZ-CG 3.6Å; F354-M668 HydrophobicContact CB-CE 3.73Å; F354-M668 HydrophobicContact CD1-CE 2.95Å; F354-M668 HydrophobicContact CD1-SD 3.51Å; F354-M668 VanDerWaalsContact CD1-SD 3.51Å; F354-M668 HydrophobicContact CE1-CE 3.6Å; F354-M668 HydrophobicContact CE1-CG 4.27Å; F354-M668 HydrophobicContact CE1-SD 3.63Å; F354-M668 HydrophobicContact CG-CE 3.55Å
355	P	73.4	Confident	76.6	Confident	127 Å²	127	40.8 Å²	40.8	83%	0.825	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	118.9	170.8	-23.2	34.1	0	0	0	110.1
356	G	72.4	Confident	74.9	Confident	33 Å²	33	47 Å²	47	34%	0.34	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-8	-176.6	0	0	0	0	0	116.2	S273 F354	S273-G356 PolarHBondContact N-O 3.1Å; F354-G356 PolarHBondContact O-N 3.26Å; F354-G356 VanDerWaalsContact O-N 3.09Å
357	V	80.9	Confident	73.1	Confident	8 Å²	8	43 Å²	43	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.5	179.9	-174	0	0	0	0	111	L271 E272 L353 F354 Y593	L271-V357 WeakPolarHBondContact O-CA 3.31Å; E272-V357 HydrophobicContact CG-CG2 4.45Å; L353-V357 HydrophobicContact CD1-CG1 4.43Å; L353-V357 PolarHBondContact N-O 2.77Å; F354-V357 HydrophobicContact CB-CB 4.25Å; F354-V357 HydrophobicContact CD2-CB 4.43Å; F354-V357 PolarHBondContact N-O 3.48Å; F354-V357 PolarHBondContact O-N 3.38Å; V357-Y593 HydrophobicContact CG1-CD2 4.14Å; V357-Y593 HydrophobicContact CG1-CE2 3.84Å; V357-Y593 HydrophobicContact CG2-CE1 4.28Å; V357-Y593 HydrophobicContact CG2-CE2 4.33Å
358	Q	84.1	Confident	71	Confident	42 Å²	42	45.8 Å²	45.8	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.8	179.4	-55.1	-175	-14.4	0	0	111.2	F270 L271 I350 A351 T352	F270-Q358 CarbonylContact C-O 3.52Å; F270-Q358 WeakPolarHBondContact CA-O 3.2Å; L271-Q358 HydrophobicContact CB-CB 4.32Å; L271-Q358 PolarHBondContact N-O 2.93Å; L271-Q358 PolarHBondContact O-N 3.32Å; I350-Q358 HydrophobicContact CG2-CB 4.22Å; A351-Q358 CarbonylContact O-C 3.58Å; A351-Q358 WeakPolarHBondContact O-CA 3.32Å; T352-Q358 HydrophobicContact CG2-CG 4.09Å
359	I	84	Confident	68.8	Low	4 Å²	4	47 Å²	47	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132	167.7	-174.7	166.8	0	0	0	109.3	V268 F270 I350 A351 L353 L361 I401 S589	V268-I359 HydrophobicContact CG1-CD1 3.84Å; V268-I359 HydrophobicContact CG1-CG1 4.09Å; F270-I359 HydrophobicContact CZ-CD1 4.43Å; I350-I359 CarbonylContact C-O 3.46Å; I350-I359 VanDerWaalsContact CA-O 3.26Å; I350-I359 WeakPolarHBondContact CA-O 3.31Å; A351-I359 HydrophobicContact CB-CG2 3.83Å; A351-I359 PolarHBondContact N-O 3.45Å; A351-I359 WeakPolarHBondContact O-CG2 3.34Å; A351-I359 PolarHBondContact O-N 2.87Å; L353-I359 HydrophobicContact CD1-CB 4.04Å; L353-I359 HydrophobicContact CD1-CG2 4.41Å; L353-I359 HydrophobicContact CD2-CB 4.3Å; L353-I359 HydrophobicContact CD2-CG2 3.76Å; L353-I359 HydrophobicContact CG-CB 4.14Å; L353-I359 HydrophobicContact CG-CG2 4Å; I359-L361 HydrophobicContact CD1-CD2 4.1Å; I359-L361 HydrophobicContact CG1-CD2 4.19Å; I359-L361 HydrophobicContact CG1-CG 4.45Å; I359-I401 HydrophobicContact CD1-CD1 4.32Å; I359-S589 WeakPolarHBondContact CD1-OG 3.23Å
360	C	84.1	Confident	66.2	Low	10 Å²	10	56.3 Å²	56.3	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.6	174.8	-177.2	0	0	0	0	109.4	V268 E269 L271 I349 I350	V268-C360 WeakPolarHBondContact CA-O 3.48Å; E269-C360 HydrophobicContact CB-CB 4.43Å; E269-C360 PolarHBondContact N-O 3.48Å; E269-C360 PolarHBondContact O-N 3.26Å; L271-C360 HydrophobicContact CD1-CB 3.91Å; I349-C360 CarbonylContact O-C 3.59Å; I349-C360 WeakPolarHBondContact O-CA 3.32Å; I350-C360 HydrophobicContact CG1-CB 4.38Å
361	L	84.2	Confident	63.6	Low	4 Å²	4	58.6 Å²	58.6	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120	173.5	-55.5	173.4	0	0	0	107.8	L266 N267 V268 L321 L324 K348 I349 I359 L405 T585	L266-L361 HydrophobicContact CD2-CD2 4.45Å; N267-L361 WeakPolarHBondContact O-CA 3.25Å; V268-L361 HydrophobicContact CB-CD2 3.97Å; V268-L361 HydrophobicContact CG1-CD2 3.65Å; V268-L361 HydrophobicContact CG2-CD2 3.48Å; V268-L361 VanDerWaalsContact CG2-CD2 3.48Å; L321-L361 HydrophobicContact CD2-CB 4.32Å; L324-L361 HydrophobicContact CD1-CD1 3.53Å; K348-L361 CarbonylContact C-O 3.56Å; K348-L361 VanDerWaalsContact CA-O 3.24Å; K348-L361 WeakPolarHBondContact CA-O 2.85Å; I349-L361 HydrophobicContact CB-CB 4.37Å; I349-L361 PolarHBondContact N-O 3.02Å; I349-L361 PolarHBondContact O-N 2.93Å; I359-L361 HydrophobicContact CD1-CD2 4.1Å; I359-L361 HydrophobicContact CG1-CD2 4.19Å; I359-L361 HydrophobicContact CG1-CG 4.45Å; L361-L405 HydrophobicContact CD2-CD1 4.38Å; L361-T585 HydrophobicContact CD1-CG2 4.38Å
362	S	79.1	Confident	60.9	Low	10 Å²	10	67.2 Å²	67.2	7%	0.07	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.9	-177.8	58.3	0	0	0	0	112.6	N267 D347	N267-S362 PolarHBondContact N-O 3.43Å; N267-S362 PolarHBondContact O-N 3.31Å; D347-S362 WeakPolarHBondContact O-CA 2.83Å
363	S	70.1	Confident	58.3	Low	15 Å²	15	72.8 Å²	72.8	11%	0.105	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.3	163.6	-179.3	0	0	0	0	108.3	L321 D347 V365	L321-S363 VanDerWaalsContact CD1-CB 3.44Å; D347-S363 PolarHBondContact O-N 3.22Å; D347-S363 VanDerWaalsContact O-N 3.1Å; S363-V365 VanDerWaalsContact C-N 3.29Å; S363-V365 PolarHBondContact O-N 2.96Å
364	V	61.3	Low	56.1	Low	83 Å²	83	79.7 Å²	79.7	50%	0.503	45%	0.454	S	S	.	.			trans	-72	89.3	175.3	-175.3	0	0	0	0	108.5	N267	N267-V364 HydrophobicContact CB-CG2 4.27Å
365	V	51.1	Low	53.8	Low	40 Å²	40	87.4 Å²	87.4	24%	0.242	50%	0.495	C	S	.	.			trans	-118.6	125	167.8	-173.1	0	0	0	0	106.2	S363	S363-V365 VanDerWaalsContact C-N 3.29Å; S363-V365 PolarHBondContact O-N 2.96Å
366	R	36.3	Very low	51.7	Low	180 Å²	180	84.8 Å²	84.8	68%	0.679	49%	0.491	S	S	*	.			trans	-63.1	129.8	176.7	-157	177	-167.9	156.7	-0.1	107.7	T368	R366-T368 PolarHBondContact O-N 2.79Å; R366-T368 VanDerWaalsContact O-N 3.14Å
367	P	31.9	Very low	49.6	Very low	105 Å²	105	90.5 Å²	90.5	68%	0.682	51%	0.514	S	S	*	.			trans	-65.9	117.7	172	26.1	-30	0	0	0	107.7	V369	P367-V369 PolarHBondContact O-N 3.25Å; P367-V369 VanDerWaalsContact O-N 3.08Å
368	T	28.9	Very low	47.2	Very low	124 Å²	124	99 Å²	99	76%	0.761	55%	0.553	S	S	*	*			trans	-74.1	93.1	167.6	48.5	0	0	0	0	107.5	R366 F370	R366-T368 PolarHBondContact O-N 2.79Å; R366-T368 VanDerWaalsContact O-N 3.14Å; T368-F370 PolarHBondContact O-N 3.27Å
369	V	33.2	Very low	44.4	Very low	124 Å²	124	108.3 Å²	108.3	75%	0.752	59%	0.586	S	S	*	*			trans	-81.4	113.7	169.2	179.1	0	0	0	0	107.4	P367	P367-V369 PolarHBondContact O-N 3.25Å; P367-V369 VanDerWaalsContact O-N 3.08Å
370	F	27	Very low	41.7	Very low	200 Å²	200	113.8 Å²	113.8	88%	0.877	62%	0.622	S	S	*	*			trans	-64.4	124.8	157.1	-79.9	-92.1	0	0	0	108.1	T368	T368-F370 PolarHBondContact O-N 3.27Å
371	G	28.4	Very low	38.9	Very low	72 Å²	72	123 Å²	123	74%	0.742	66%	0.661	S	S	*	*			trans	167.8	110	175.8	0	0	0	0	0	111.1
372	E	27.7	Very low	36.4	Very low	183 Å²	183	131 Å²	131	86%	0.855	70%	0.703	S	S	*	*			trans	-56.5	144.8	-172.5	-65.6	162.1	146	0	0	114.7
373	D	28.3	Very low	33.9	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	74%	0.738	S	S	*	*			trans	32.7	101.7	138.8	-54.4	-20.1	0	0	0	118.6
374	V	34.1	Very low	31.9	Very low	145 Å²	145	146 Å²	146	88%	0.879	78%	0.775	S	S	*	*			trans	-148.7	107.7	130.7	-176.7	0	0	0	0	110
375	L	29.3	Very low	30.4	Very low	178 Å²	178	151.5 Å²	151.5	93%	0.932	79%	0.793	S	S	*	*			trans	-53.3	126.3	159	-171	75.8	0	0	0	110.5
376	G	29.4	Very low	29.1	Very low	72 Å²	72	160 Å²	160	74%	0.742	83%	0.826	S	S	*	*			trans	-175.5	82.2	179.5	0	0	0	0	0	113.5
377	D	28.8	Very low	28.7	Very low	154 Å²	154	158.7 Å²	158.7	82%	0.824	83%	0.832	S	S	*	*			trans	-63.2	119.2	170.2	-164.5	15.5	0	0	0	110.4
378	E	30.7	Very low	28.4	Very low	187 Å²	187	157.6 Å²	157.6	87%	0.874	83%	0.825	S	S	*	*			trans	-167	113.8	146.1	-83.4	-140.4	142.6	0	0	110
379	R	23.8	Very low	28.4	Very low	236 Å²	236	158.9 Å²	158.9	89%	0.891	83%	0.827	S	S	*	*			trans	-76.8	134.9	169.8	-63.8	175.7	179.3	172.5	-1	110.2
380	P	28.1	Very low	28.3	Very low	119 Å²	119	159.9 Å²	159.9	77%	0.773	82%	0.823	S	S	*	*			trans	-109.7	118.8	151	26.7	-11.9	0	0	0	110.4
381	K	25.4	Very low	28.7	Very low	204 Å²	204	155.3 Å²	155.3	89%	0.887	81%	0.812	S	S	*	*			trans	-61.8	126.3	161	-64.7	171.8	177.7	175.6	0	107.9
382	L	31.1	Very low	28.9	Very low	171 Å²	171	157.1 Å²	157.1	90%	0.895	81%	0.808	S	S	*	*			trans	-132.5	134.9	161.4	-144.7	85.6	0	0	0	111.2
383	Q	27.4	Very low	29.4	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.822	79%	0.793	S	S	*	*			trans	-75	147.4	-162.6	-69	156.5	-0.5	0	0	113.7	K385	Q383-K385 PolarHBondContact O-N 3.23Å
384	D	27.2	Very low	30.1	Very low	164 Å²	164	151.9 Å²	151.9	88%	0.877	78%	0.784	S	S	*	*			trans	1.7	103.6	143.7	-74.2	-38.9	0	0	0	116.7
385	K	29.8	Very low	30.4	Very low	200 Å²	200	151.3 Å²	151.3	87%	0.87	77%	0.773	S	S	*	*			trans	-130.2	112.4	145.6	-87.7	-177	177	175.8	0	108.5	Q383 L387	Q383-K385 PolarHBondContact O-N 3.23Å; K385-L387 PolarHBondContact O-N 3.26Å
386	K	24.9	Very low	31.7	Very low	219 Å²	219	147.6 Å²	147.6	95%	0.952	76%	0.755	S	S	*	*			trans	-44.5	105.9	170.1	-74	175.8	172.6	-179.5	0	110.1
387	L	26.7	Very low	33.3	Very low	151 Å²	151	146 Å²	146	79%	0.791	73%	0.726	S	S	*	*			trans	-87.9	132.4	166.7	-161	72.1	0	0	0	107.1	K385	K385-L387 PolarHBondContact O-N 3.26Å
388	P	26.6	Very low	35	Very low	83 Å²	83	139.4 Å²	139.4	54%	0.539	69%	0.693	S	S	.	*			trans	-66.5	155.4	-170.5	27.6	-34.6	0	0	0	112.2	H390	P388-H390 PolarHBondContact O-N 2.94Å
389	D	28.2	Very low	36.7	Very low	150 Å²	150	134 Å²	134	80%	0.802	67%	0.67	S	S	*	*	S	Bend	trans	-57.7	28.5	-169	-64.4	-46.6	0	0	0	118	T391	D389-T391 VanDerWaalsContact C-N 3.33Å; D389-T391 PolarHBondContact O-N 3.47Å
390	H	32.2	Very low	38.9	Very low	146 Å²	146	125.4 Å²	125.4	68%	0.676	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-82.7	2	-176.5	-67.6	-61.9	0	0	0	115.4	P388 V392	P388-H390 PolarHBondContact O-N 2.94Å; H390-V392 PolarHBondContact O-N 3.25Å
391	T	34.8	Very low	41.2	Very low	104 Å²	104	119.9 Å²	119.9	64%	0.638	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-84.3	-4.1	-173.6	51.3	0	0	0	0	114.8	D389 T394	D389-T391 VanDerWaalsContact C-N 3.33Å; D389-T391 PolarHBondContact O-N 3.47Å; T391-T394 PolarHBondContact O-OG1 3.06Å
392	V	32.6	Very low	43.5	Very low	109 Å²	109	110.8 Å²	110.8	66%	0.661	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-83.6	-26	-177.2	-176.8	0	0	0	0	112.5	H390	H390-V392 PolarHBondContact O-N 3.25Å
393	F	39	Very low	45.6	Very low	125 Å²	125	105.5 Å²	105.5	55%	0.548	54%	0.542	S	S	.	.	S	Bend	trans	-79.7	-31	-175.1	-69.9	-79.9	0	0	0	113.9	M395 D396 Y397	F393-M395 PolarHBondContact O-N 3.4Å; F393-M395 VanDerWaalsContact O-N 3.15Å; F393-D396 PolarHBondContact O-N 2.95Å; F393-Y397 HydrophobicContact CB-CE2 4.13Å; F393-Y397 WeakPolarHBondContact O-CD2 3.4Å; F393-Y397 WeakPolarHBondContact O-CE2 3.25Å
394	T	43.2	Very low	48.1	Very low	96 Å²	96	99.4 Å²	99.4	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-19.7	-174	28.1	0	0	0	0	115	T391	T391-T394 PolarHBondContact O-OG1 3.06Å
395	M	39.8	Very low	50.6	Low	134 Å²	134	91.7 Å²	91.7	66%	0.66	47%	0.472	S	S	*	.	H	α-helix	trans	-80.3	-23.2	-176.3	-87.4	-99.3	138.2	0	0	114.5	F393 S398 N399	F393-M395 PolarHBondContact O-N 3.4Å; F393-M395 VanDerWaalsContact O-N 3.15Å; M395-S398 PolarHBondContact O-OG 2.8Å; M395-N399 PolarHBondContact O-ND2 3.11Å
396	D	55.4	Low	53	Low	100 Å²	100	84.9 Å²	84.9	54%	0.535	44%	0.444	S	S	.	.	H	α-helix	trans	-86	-33.7	-174.1	-75.8	-18.1	0	0	0	113.1	F393 S398 C400	F393-D396 PolarHBondContact O-N 2.95Å; D396-S398 PolarHBondContact O-N 2.92Å; D396-C400 PolarHBondContact O-N 2.84Å; D396-C400 PolarHBondContact O-SG 2.9Å; D396-C400 VanDerWaalsContact O-SG 3.32Å
397	Y	62.9	Low	55.6	Low	37 Å²	37	81.1 Å²	81.1	15%	0.145	42%	0.424	C	S	.	.	H	α-helix	trans	-65.8	-40.8	-178.4	-49.2	-66.5	0	0	0	112.2	F393 N399 C400 I401 H592 D596	F393-Y397 HydrophobicContact CB-CE2 4.13Å; F393-Y397 WeakPolarHBondContact O-CD2 3.4Å; F393-Y397 WeakPolarHBondContact O-CE2 3.25Å; Y397-N399 PolarHBondContact O-N 3.26Å; Y397-C400 PolarHBondContact O-N 2.78Å; Y397-I401 WeakPolarHBondContact O-CG1 3.5Å; Y397-I401 PolarHBondContact O-N 3.26Å; Y397-I401 VanDerWaalsContact O-N 3.13Å; Y397-H592 AromaticContact CD1-CD2 3.67Å; Y397-H592 AromaticContact CD1-NE2 3.44Å; Y397-H592 WeakPolarHBondContact CD1-NE2 3.44Å; Y397-D596 HydrophobicContact CE1-CB 4.03Å; Y397-D596 WeakPolarHBondContact CE1-OD1 3.26Å; Y397-D596 PolarHBondContact OH-OD1 2.95Å; Y397-D596 PolarHBondContact OH-OD2 3.35Å
398	S	64.8	Low	58	Low	17 Å²	17	74.8 Å²	74.8	12%	0.119	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-42.4	-174.8	62.4	0	0	0	0	111.6	V268 M395 D396 N402	V268-S398 VanDerWaalsContact O-CB 3.32Å; V268-S398 WeakPolarHBondContact O-CB 3.34Å; M395-S398 PolarHBondContact O-OG 2.8Å; D396-S398 PolarHBondContact O-N 2.92Å; S398-N402 WeakPolarHBondContact O-CB 3.24Å; S398-N402 PolarHBondContact O-N 3.25Å
399	N	66.7	Low	60.5	Low	74 Å²	74	71 Å²	71	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-40	178.2	-71.3	-44.1	0	0	0	112.4	M395 Y397 L403	M395-N399 PolarHBondContact O-ND2 3.11Å; Y397-N399 PolarHBondContact O-N 3.26Å; N399-L403 VanDerWaalsContact O-CB 3.31Å; N399-L403 WeakPolarHBondContact O-CB 3.4Å; N399-L403 PolarHBondContact O-N 2.87Å
400	C	69.3	Low	62.8	Low	55 Å²	55	65.1 Å²	65.1	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-46.9	179.4	-69.8	0	0	0	0	111.8	D396 Y397 L403 Q404	D396-C400 PolarHBondContact O-N 2.84Å; D396-C400 PolarHBondContact O-SG 2.9Å; D396-C400 VanDerWaalsContact O-SG 3.32Å; Y397-C400 PolarHBondContact O-N 2.78Å; C400-L403 PolarHBondContact O-N 2.97Å; C400-Q404 VanDerWaalsContact O-CG 3.3Å; C400-Q404 WeakPolarHBondContact O-CG 3.3Å; C400-Q404 PolarHBondContact O-N 3.46Å
401	I	76.4	Confident	64.7	Low	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-42.6	179.9	-64.6	169.2	0	0	0	110.4	V268 F270 I359 Y397 L403 Q404 L405	V268-I401 HydrophobicContact CG1-CB 4.21Å; V268-I401 HydrophobicContact CG1-CD1 3.98Å; V268-I401 HydrophobicContact CG1-CG2 4.07Å; V268-I401 HydrophobicContact CG2-CG2 4.29Å; F270-I401 HydrophobicContact CE2-CD1 3.53Å; F270-I401 HydrophobicContact CZ-CD1 3.45Å; F270-I401 VanDerWaalsContact CZ-CD1 3.45Å; I359-I401 HydrophobicContact CD1-CD1 4.32Å; Y397-I401 WeakPolarHBondContact O-CG1 3.5Å; Y397-I401 PolarHBondContact O-N 3.26Å; Y397-I401 VanDerWaalsContact O-N 3.13Å; I401-L403 VanDerWaalsContact C-N 3.35Å; I401-L403 PolarHBondContact O-N 3.13Å; I401-Q404 PolarHBondContact O-N 2.95Å; I401-Q404 VanDerWaalsContact O-N 3.15Å; I401-L405 HydrophobicContact CG2-CD1 4.01Å; I401-L405 HydrophobicContact CG2-CG 4.33Å; I401-L405 WeakPolarHBondContact O-CB 3.4Å; I401-L405 WeakPolarHBondContact O-CG 3.49Å; I401-L405 PolarHBondContact O-N 3.47Å
402	N	74.6	Confident	66.5	Low	13 Å²	13	57.4 Å²	57.4	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-48.3	174.6	179	-45	0	0	0	111.5	L266 S398 Q404 L405 H406	L266-N402 PolarHBondContact N-ND2 2.77Å; L266-N402 PolarHBondContact O-ND2 3.34Å; S398-N402 WeakPolarHBondContact O-CB 3.24Å; S398-N402 PolarHBondContact O-N 3.25Å; N402-Q404 VanDerWaalsContact C-N 3.35Å; N402-Q404 PolarHBondContact O-N 3.35Å; N402-L405 PolarHBondContact O-N 3.34Å; N402-H406 PolarHBondContact O-CD2 2.82Å; N402-H406 VanDerWaalsContact O-CD2 3.26Å; N402-H406 PolarHBondContact O-N 3.32Å; N402-H406 VanDerWaalsContact O-N 3.08Å; N402-H406 PolarHBondContact OD1-CD2 3.48Å; N402-H406 PolarHBondContact OD1-NE2 3.45Å
403	L	75.2	Confident	68.5	Low	61 Å²	61	52.7 Å²	52.7	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-40.9	176.4	-179.2	63	0	0	0	112.4	N399 C400 I401 H406 R407	N399-L403 VanDerWaalsContact O-CB 3.31Å; N399-L403 WeakPolarHBondContact O-CB 3.4Å; N399-L403 PolarHBondContact O-N 2.87Å; C400-L403 PolarHBondContact O-N 2.97Å; I401-L403 VanDerWaalsContact C-N 3.35Å; I401-L403 PolarHBondContact O-N 3.13Å; L403-H406 PolarHBondContact O-N 3.07Å; L403-R407 VanDerWaalsContact O-CG 3.32Å; L403-R407 WeakPolarHBondContact O-CG 3.31Å; L403-R407 PolarHBondContact O-N 2.98Å
404	Q	78.9	Confident	69.8	Low	47 Å²	47	53.9 Å²	53.9	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-41.2	178.1	-74.5	-174.3	51.9	0	0	112.2	C400 I401 N402 H406 R407 M408	C400-Q404 VanDerWaalsContact O-CG 3.3Å; C400-Q404 WeakPolarHBondContact O-CG 3.3Å; C400-Q404 PolarHBondContact O-N 3.46Å; I401-Q404 PolarHBondContact O-N 2.95Å; I401-Q404 VanDerWaalsContact O-N 3.15Å; N402-Q404 VanDerWaalsContact C-N 3.35Å; N402-Q404 PolarHBondContact O-N 3.35Å; Q404-H406 PolarHBondContact O-N 3.5Å; Q404-R407 WeakPolarHBondContact O-CB 3.49Å; Q404-R407 PolarHBondContact O-N 2.69Å; Q404-R407 VanDerWaalsContact O-N 3.17Å; Q404-M408 WeakPolarHBondContact O-CB 3.03Å; Q404-M408 WeakPolarHBondContact O-CG 3.21Å; Q404-M408 PolarHBondContact O-N 3.09Å
405	L	80.8	Confident	70.9	Confident	2 Å²	2	52 Å²	52	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-46.4	175	-77.1	170.8	0	0	0	111.7	L266 I320 L324 L361 I401 N402 R407 M408 L409 T585	L266-L405 HydrophobicContact CD2-CD1 3.39Å; I320-L405 HydrophobicContact CD1-CB 4.37Å; I320-L405 HydrophobicContact CG2-CD1 4.46Å; I320-L405 HydrophobicContact CG2-CD2 4.39Å; L324-L405 HydrophobicContact CD1-CD2 4.42Å; L361-L405 HydrophobicContact CD2-CD1 4.38Å; I401-L405 HydrophobicContact CG2-CD1 4.01Å; I401-L405 HydrophobicContact CG2-CG 4.33Å; I401-L405 WeakPolarHBondContact O-CB 3.4Å; I401-L405 WeakPolarHBondContact O-CG 3.49Å; I401-L405 PolarHBondContact O-N 3.47Å; N402-L405 PolarHBondContact O-N 3.34Å; L405-R407 VanDerWaalsContact C-N 3.31Å; L405-R407 PolarHBondContact O-N 3.03Å; L405-M408 PolarHBondContact O-N 3.02Å; L405-L409 WeakPolarHBondContact O-CB 3.35Å; L405-L409 PolarHBondContact O-N 3.15Å; L405-T585 HydrophobicContact CD2-CG2 3.86Å; L405-T585 WeakPolarHBondContact CD2-OG1 3.35Å; L405-T585 HydrophobicContact CG-CG2 4.48Å
406	H	80.9	Confident	72.1	Confident	58 Å²	58	48.5 Å²	48.5	27%	0.269	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-36.1	175	-77.1	-61.3	0	0	0	113	N402 L403 Q404 A410	N402-H406 PolarHBondContact O-CD2 2.82Å; N402-H406 VanDerWaalsContact O-CD2 3.26Å; N402-H406 PolarHBondContact O-N 3.32Å; N402-H406 VanDerWaalsContact O-N 3.08Å; N402-H406 PolarHBondContact OD1-CD2 3.48Å; N402-H406 PolarHBondContact OD1-NE2 3.45Å; L403-H406 PolarHBondContact O-N 3.07Å; Q404-H406 PolarHBondContact O-N 3.5Å; H406-A410 WeakPolarHBondContact O-CB 3.3Å; H406-A410 PolarHBondContact O-N 3.48Å
407	R	78.1	Confident	72.3	Confident	140 Å²	140	46.8 Å²	46.8	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-39.2	174.3	-74.1	174	178.7	-172.7	1	112.1	L403 Q404 L405 A410 G411	L403-R407 VanDerWaalsContact O-CG 3.32Å; L403-R407 WeakPolarHBondContact O-CG 3.31Å; L403-R407 PolarHBondContact O-N 2.98Å; Q404-R407 WeakPolarHBondContact O-CB 3.49Å; Q404-R407 PolarHBondContact O-N 2.69Å; Q404-R407 VanDerWaalsContact O-N 3.17Å; L405-R407 VanDerWaalsContact C-N 3.31Å; L405-R407 PolarHBondContact O-N 3.03Å; R407-A410 PolarHBondContact O-N 3.39Å; R407-G411 PolarHBondContact O-N 3.08Å
408	M	78.2	Confident	71.9	Confident	17 Å²	17	49.4 Å²	49.4	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-45.1	176.9	-74.6	167.5	46.3	0	0	111.2	Q404 L405 A410 G411 Q412 L581 R584 I588	Q404-M408 WeakPolarHBondContact O-CB 3.03Å; Q404-M408 WeakPolarHBondContact O-CG 3.21Å; Q404-M408 PolarHBondContact O-N 3.09Å; L405-M408 PolarHBondContact O-N 3.02Å; M408-A410 PolarHBondContact O-N 3.42Å; M408-G411 WeakPolarHBondContact O-CA 3.45Å; M408-G411 PolarHBondContact O-N 3.33Å; M408-G411 VanDerWaalsContact O-N 3.11Å; M408-Q412 PolarHBondContact O-N 2.95Å; M408-L581 HydrophobicContact CB-CD1 3.66Å; M408-L581 HydrophobicContact CE-CD1 3.42Å; M408-L581 VanDerWaalsContact CE-CD1 3.42Å; M408-L581 HydrophobicContact CE-CG 4.14Å; M408-R584 HydrophobicContact CE-CB 3.64Å; M408-R584 HydrophobicContact CE-CG 3.48Å; M408-R584 VanDerWaalsContact CE-CG 3.48Å; M408-R584 HydrophobicContact SD-CG 3.86Å; M408-I588 HydrophobicContact SD-CD1 3.59Å; M408-I588 VanDerWaalsContact SD-CD1 3.59Å
409	L	79.4	Confident	71.2	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-55	-51.4	171.8	179.7	73.2	0	0	0	111.3	L203 A316 E319 I320 M323 L405 G411 Q412 H413	L203-L409 HydrophobicContact CD1-CD2 4.21Å; A316-L409 HydrophobicContact CB-CD2 4.36Å; E319-L409 HydrophobicContact CG-CD1 3.97Å; I320-L409 HydrophobicContact CD1-CD2 4.13Å; I320-L409 HydrophobicContact CG1-CB 4.27Å; I320-L409 HydrophobicContact CG1-CD1 4.33Å; I320-L409 HydrophobicContact CG1-CD2 3.93Å; I320-L409 HydrophobicContact CG1-CG 4.41Å; M323-L409 HydrophobicContact CE-CD1 3.15Å; M323-L409 HydrophobicContact SD-CD1 4.41Å; L405-L409 WeakPolarHBondContact O-CB 3.35Å; L405-L409 PolarHBondContact O-N 3.15Å; L409-G411 PolarHBondContact O-N 2.86Å; L409-Q412 PolarHBondContact O-N 3.42Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; L409-H413 WeakPolarHBondContact CD1-NE2 3.34Å; L409-H413 PolarHBondContact O-N 3.37Å
410	A	75.1	Confident	70.1	Confident	27 Å²	27	55.5 Å²	55.5	22%	0.223	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-32.5	178.3	0	0	0	0	0	112.6	H406 R407 M408 R414	H406-A410 WeakPolarHBondContact O-CB 3.3Å; H406-A410 PolarHBondContact O-N 3.48Å; R407-A410 PolarHBondContact O-N 3.39Å; M408-A410 PolarHBondContact O-N 3.42Å; A410-R414 WeakPolarHBondContact O-CB 3.45Å; A410-R414 VanDerWaalsContact O-CG 3.23Å; A410-R414 WeakPolarHBondContact O-CG 3.35Å; A410-R414 PolarHBondContact O-N 2.97Å
411	G	71.9	Confident	68.7	Low	35 Å²	35	58 Å²	58	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-44.8	172.7	0	0	0	0	0	112.6	R407 M408 L409 R414 A415	R407-G411 PolarHBondContact O-N 3.08Å; M408-G411 WeakPolarHBondContact O-CA 3.45Å; M408-G411 PolarHBondContact O-N 3.33Å; M408-G411 VanDerWaalsContact O-N 3.11Å; L409-G411 PolarHBondContact O-N 2.86Å; G411-R414 PolarHBondContact O-N 3.19Å; G411-A415 PolarHBondContact O-N 2.91Å
412	Q	73.2	Confident	67.1	Low	52 Å²	52	61.4 Å²	61.4	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-47.1	175.6	-72.5	177.3	-28.6	0	0	111.4	M408 L409 R414 A415 V416	M408-Q412 PolarHBondContact O-N 2.95Å; L409-Q412 PolarHBondContact O-N 3.42Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; Q412-R414 VanDerWaalsContact C-N 3.3Å; Q412-R414 PolarHBondContact O-N 3.25Å; Q412-A415 WeakPolarHBondContact O-CB 3.35Å; Q412-A415 PolarHBondContact O-N 3.27Å; Q412-V416 WeakPolarHBondContact O-CG2 3.32Å; Q412-V416 PolarHBondContact O-N 3.15Å; Q412-V416 VanDerWaalsContact O-N 3.1Å
413	H	74.6	Confident	65.6	Low	11 Å²	11	63.2 Å²	63.2	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-54.7	-43.9	175.1	-73.4	176.9	0	0	0	112.5	V206 E319 L409 V416 W417	V206-H413 HydrophobicContact CG1-CB 4.26Å; V206-H413 CarbonylContact O-C 3.59Å; V206-H413 WeakPolarHBondContact O-CB 3.47Å; E319-H413 IonicContact OE1-CD2 2.83Å; E319-H413 IonicContact OE1-CE1 3.95Å; E319-H413 PolarHBondContact OE1-CE1 3.33Å; E319-H413 IonicContact OE1-NE2 3.49Å; E319-H413 PolarHBondContact OE1-NE2 3.39Å; E319-H413 IonicContact OE2-CE1 2.98Å; E319-H413 PolarHBondContact OE2-CE1 2.96Å; E319-H413 VanDerWaalsContact OE2-CE1 3.31Å; E319-H413 IonicContact OE2-NE2 3.25Å; E319-H413 PolarHBondContact OE2-NE2 2.9Å; L409-H413 WeakPolarHBondContact CD1-NE2 3.34Å; L409-H413 PolarHBondContact O-N 3.37Å; H413-V416 PolarHBondContact O-N 2.78Å; H413-W417 PolarHBondContact O-N 3.01Å
414	R	66.4	Low	63.8	Low	149 Å²	149	64.6 Å²	64.6	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-66.2	-34.9	175.1	-74.9	173.1	-172.6	173.1	3.1	113.6	A410 G411 Q412 V416 W417	A410-R414 WeakPolarHBondContact O-CB 3.45Å; A410-R414 VanDerWaalsContact O-CG 3.23Å; A410-R414 WeakPolarHBondContact O-CG 3.35Å; A410-R414 PolarHBondContact O-N 2.97Å; G411-R414 PolarHBondContact O-N 3.19Å; Q412-R414 VanDerWaalsContact C-N 3.3Å; Q412-R414 PolarHBondContact O-N 3.25Å; R414-V416 VanDerWaalsContact C-N 3.31Å; R414-W417 PolarHBondContact O-N 2.95Å
415	A	65.9	Low	62.1	Low	58 Å²	58	67.5 Å²	67.5	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-31.8	178.7	0	0	0	0	0	112.1	G411 Q412 W417	G411-A415 PolarHBondContact O-N 2.91Å; Q412-A415 WeakPolarHBondContact O-CB 3.35Å; Q412-A415 PolarHBondContact O-N 3.27Å; A415-W417 VanDerWaalsContact C-N 3.3Å
416	V	65	Low	60.1	Low	60 Å²	60	73 Å²	73	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-76.4	-17.9	177.8	176.7	0	0	0	0	112.2	H209 Q412 H413 R414 P418	H209-V416 VanDerWaalsContact NE2-CG1 3.3Å; H209-V416 WeakPolarHBondContact NE2-CG1 3.43Å; Q412-V416 WeakPolarHBondContact O-CG2 3.32Å; Q412-V416 PolarHBondContact O-N 3.15Å; Q412-V416 VanDerWaalsContact O-N 3.1Å; H413-V416 PolarHBondContact O-N 2.78Å; R414-V416 VanDerWaalsContact C-N 3.31Å; V416-P418 WeakPolarHBondContact O-CD 3.49Å
417	W	60.2	Low	58	Low	63 Å²	63	73.7 Å²	73.7	24%	0.239	43%	0.43	C	S	.	.			trans	-67.1	118.3	177.3	-99.1	48.6	0	0	0	111.7	S205 V206 G207 H413 R414 A415 N419 L423	S205-W417 WeakPolarHBondContact O-CZ2 3.25Å; S205-W417 PolarHBondContact O-NE1 2.59Å; V206-W417 VanDerWaalsContact C-CD1 3.49Å; V206-W417 VanDerWaalsContact CA-NE1 3.33Å; V206-W417 PolarHBondContact O-NE1 3.26Å; G207-W417 VanDerWaalsContact N-NE1 3.18Å; H413-W417 PolarHBondContact O-N 3.01Å; R414-W417 PolarHBondContact O-N 2.95Å; A415-W417 VanDerWaalsContact C-N 3.3Å; W417-N419 PolarHBondContact O-N 3.04Å; W417-L423 HydrophobicContact CD2-CD1 4.03Å; W417-L423 HydrophobicContact CE3-CD1 3.44Å; W417-L423 VanDerWaalsContact CE3-CD1 3.44Å; W417-L423 HydrophobicContact CE3-CD2 4.43Å; W417-L423 HydrophobicContact CE3-CG 3.98Å; W417-L423 HydrophobicContact CZ3-CD1 3.86Å; W417-L423 HydrophobicContact CZ3-CD2 3.98Å; W417-L423 HydrophobicContact CZ3-CG 3.96Å
418	P	53.7	Low	56.2	Low	93 Å²	93	69.9 Å²	69.9	60%	0.604	43%	0.425	S	S	*	.	S	Bend	trans	-71	-5.3	-170.5	26	-32.6	0	0	0	114.6	V416	V416-P418 WeakPolarHBondContact O-CD 3.49Å
419	N	50.2	Low	54.2	Low	105 Å²	105	70.1 Å²	70.1	56%	0.561	43%	0.431	S	S	*	.			trans	-116.7	62.6	178.2	-73.9	-29	0	0	0	112	W417 A421 S422	W417-N419 PolarHBondContact O-N 3.04Å; N419-A421 PolarHBondContact O-N 3.31Å; N419-S422 VanDerWaalsContact CB-OG 3.32Å; N419-S422 WeakPolarHBondContact CB-OG 3.08Å; N419-S422 PolarHBondContact O-N 2.9Å; N419-S422 PolarHBondContact O-OG 3.33Å
420	L	43.3	Very low	52.3	Low	113 Å²	113	74.4 Å²	74.4	59%	0.592	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-17.4	173.1	-102.9	103.9	0	0	0	113.7
421	A	39.9	Very low	50.8	Low	108 Å²	108	79.9 Å²	79.9	89%	0.893	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.5	176.9	0	0	0	0	0	115.2	N419	N419-A421 PolarHBondContact O-N 3.31Å
422	S	42.8	Very low	49.6	Very low	74 Å²	74	87.2 Å²	87.2	52%	0.517	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-1.4	-172.1	73	0	0	0	0	115.4	N419	N419-S422 VanDerWaalsContact CB-OG 3.32Å; N419-S422 WeakPolarHBondContact CB-OG 3.08Å; N419-S422 PolarHBondContact O-N 2.9Å; N419-S422 PolarHBondContact O-OG 3.33Å
423	L	43.4	Very low	47.9	Very low	50 Å²	50	88.1 Å²	88.1	26%	0.262	52%	0.521	S	S	.	.	S	Bend	trans	-95.9	129.2	172.7	-82.1	163.9	0	0	0	109.3	W417 Q425	W417-L423 HydrophobicContact CD2-CD1 4.03Å; W417-L423 HydrophobicContact CE3-CD1 3.44Å; W417-L423 VanDerWaalsContact CE3-CD1 3.44Å; W417-L423 HydrophobicContact CE3-CD2 4.43Å; W417-L423 HydrophobicContact CE3-CG 3.98Å; W417-L423 HydrophobicContact CZ3-CD1 3.86Å; W417-L423 HydrophobicContact CZ3-CD2 3.98Å; W417-L423 HydrophobicContact CZ3-CG 3.96Å; L423-Q425 VanDerWaalsContact C-N 3.35Å; L423-Q425 PolarHBondContact O-N 2.88Å
424	P	37.6	Very low	46.2	Very low	90 Å²	90	90.7 Å²	90.7	58%	0.584	54%	0.538	S	S	*	.			trans	-65.3	99.5	170.5	26.7	-30.5	0	0	0	107.9
425	Q	42.7	Very low	44.9	Very low	109 Å²	109	91.1 Å²	91.1	51%	0.509	55%	0.551	S	S	.	*			trans	-57	145.5	159.1	-67.7	-175.2	-12.3	0	0	107	L423 A427 C428	L423-Q425 VanDerWaalsContact C-N 3.35Å; L423-Q425 PolarHBondContact O-N 2.88Å; Q425-A427 PolarHBondContact O-N 2.94Å; Q425-C428 HydrophobicContact CB-CB 4.19Å; Q425-C428 PolarHBondContact O-N 2.77Å
426	P	40.1	Very low	44.1	Very low	117 Å²	117	96.6 Å²	96.6	76%	0.76	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-7	179	17.8	-28.2	0	0	0	114.4
427	A	37.2	Very low	42.9	Very low	73 Å²	73	101.2 Å²	101.2	60%	0.603	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-0.6	172.9	0	0	0	0	0	115.3	Q425 G429	Q425-A427 PolarHBondContact O-N 2.94Å; A427-G429 PolarHBondContact O-N 3.41Å
428	C	39.4	Very low	42	Very low	60 Å²	60	102.3 Å²	102.3	41%	0.405	58%	0.576	S	S	.	*			trans	-94.7	89.3	-178	-76.5	0	0	0	0	111.3	Q425	Q425-C428 HydrophobicContact CB-CB 4.19Å; Q425-C428 PolarHBondContact O-N 2.77Å
429	G	36.7	Very low	41.2	Very low	22 Å²	22	103.4 Å²	103.4	23%	0.227	59%	0.586	C	S	.	*			trans	-66.2	166.5	156.2	0	0	0	0	0	111.8	A427	A427-G429 PolarHBondContact O-N 3.41Å
430	P	39.8	Very low	40.3	Very low	94 Å²	94	101.9 Å²	101.9	61%	0.61	60%	0.595	S	S	*	*			trans	-52.9	146.1	177.1	21.6	-31.7	0	0	0	111.7	E432 I433	P430-E432 PolarHBondContact O-N 2.87Å; P430-I433 HydrophobicContact CG-CD1 4.17Å; P430-I433 PolarHBondContact O-N 2.79Å
431	V	43.8	Very low	39.7	Very low	142 Å²	142	98.9 Å²	98.9	86%	0.861	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-6.1	-164.6	172.9	0	0	0	0	115
432	E	45.8	Very low	39.3	Very low	189 Å²	189	98.6 Å²	98.6	88%	0.883	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	0.4	-175.7	-66	179.7	165.1	0	0	115.2	P430	P430-E432 PolarHBondContact O-N 2.87Å
433	I	37.3	Very low	38.7	Very low	71 Å²	71	102.2 Å²	102.2	36%	0.364	60%	0.603	S	S	.	*	S	Bend	trans	-107.9	126.8	-176.9	-55	174.7	0	0	0	111	P430 R438	P430-I433 HydrophobicContact CG-CD1 4.17Å; P430-I433 PolarHBondContact O-N 2.79Å; I433-R438 HydrophobicContact CB-CG 4.43Å; I433-R438 HydrophobicContact CG2-CG 4.24Å; I433-R438 VanDerWaalsContact O-CZ 3.31Å; I433-R438 PolarHBondContact O-NE 2.86Å; I433-R438 PolarHBondContact O-NH2 3.24Å
434	P	39.9	Very low	38.1	Very low	65 Å²	65	103.2 Å²	103.2	42%	0.422	63%	0.625	S	S	.	*			trans	-55.7	146.3	174.6	-25.2	33.5	0	0	0	113.6	Y436 Y437	P434-Y436 HydrophobicContact CB-CD1 3.9Å; P434-Y436 HydrophobicContact CB-CE1 3.3Å; P434-Y436 HydrophobicContact CG-CE1 4.33Å; P434-Y436 PolarHBondContact O-N 3.22Å; P434-Y437 HydrophobicContact CB-CD2 4.47Å; P434-Y437 PolarHBondContact O-N 2.95Å
435	L	39.4	Very low	37.9	Very low	158 Å²	158	102.6 Å²	102.6	83%	0.827	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-48.8	-32.5	-171.9	-113.6	146.8	0	0	0	115.2
436	Y	48.4	Very low	37.4	Very low	173 Å²	173	101.1 Å²	101.1	68%	0.678	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-84.1	-9.9	-176.7	53.1	-83.6	0	0	0	114.4	P434	P434-Y436 HydrophobicContact CB-CD1 3.9Å; P434-Y436 HydrophobicContact CB-CE1 3.3Å; P434-Y436 HydrophobicContact CG-CE1 4.33Å; P434-Y436 PolarHBondContact O-N 3.22Å
437	Y	39.3	Very low	37.1	Very low	157 Å²	157	99.1 Å²	99.1	62%	0.616	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-106.3	8.5	177	-69.9	-58	0	0	0	113.8	P434 S439	P434-Y437 HydrophobicContact CB-CD2 4.47Å; P434-Y437 PolarHBondContact O-N 2.95Å; Y437-S439 PolarHBondContact O-N 2.91Å
438	R	41.6	Very low	37	Very low	85 Å²	85	99.8 Å²	99.8	32%	0.321	61%	0.61	S	S	.	*			trans	-88	86.3	-178.6	-65.2	-176.5	-178.1	-163.2	-2.4	111.3	I433	I433-R438 HydrophobicContact CB-CG 4.43Å; I433-R438 HydrophobicContact CG2-CG 4.24Å; I433-R438 VanDerWaalsContact O-CZ 3.31Å; I433-R438 PolarHBondContact O-NE 2.86Å; I433-R438 PolarHBondContact O-NH2 3.24Å
439	S	35.7	Very low	36.8	Very low	117 Å²	117	105.3 Å²	105.3	82%	0.818	62%	0.622	S	S	*	*			trans	-89.9	111.1	167.3	46	0	0	0	0	111	Y437	Y437-S439 PolarHBondContact O-N 2.91Å
440	G	33.1	Very low	36.8	Very low	72 Å²	72	110.4 Å²	110.4	74%	0.742	64%	0.639	S	S	*	*			trans	51.6	90.3	153	0	0	0	0	0	118.7
441	G	29.9	Very low	36.3	Very low	51 Å²	51	109.6 Å²	109.6	53%	0.526	64%	0.635	S	S	.	*			trans	-68.3	152.5	161.6	0	0	0	0	0	112.4	N443	G441-N443 PolarHBondContact O-N 3.06Å
442	A	31.6	Very low	35.6	Very low	101 Å²	101	108.4 Å²	108.4	84%	0.835	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.5	120.1	-163.2	0	0	0	0	0	116.4
443	N	30.7	Very low	34.9	Very low	151 Å²	151	106.1 Å²	106.1	81%	0.807	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	66	46.1	167.6	-57.5	-19.8	0	0	0	117.5	G441 L445	G441-N443 PolarHBondContact O-N 3.06Å; N443-L445 PolarHBondContact O-N 3.23Å
444	G	30.4	Very low	34.5	Very low	70 Å²	70	107 Å²	107	72%	0.722	64%	0.639	S	S	*	*			trans	-66.3	84.1	152.9	0	0	0	0	0	110.4
445	L	34.3	Very low	34	Very low	77 Å²	77	113.4 Å²	113.4	40%	0.403	66%	0.663	S	S	.	*			trans	-64.5	135	174.3	-78	170.2	0	0	0	109.8	N443	N443-L445 PolarHBondContact O-N 3.23Å
446	P	30.4	Very low	33.5	Very low	78 Å²	78	109.6 Å²	109.6	51%	0.506	65%	0.649	S	S	.	*			trans	-61	149	178	24.4	-32.6	0	0	0	111	S448 R449	P446-S448 PolarHBondContact O-N 3.22Å; P446-R449 PolarHBondContact O-N 3.48Å
447	A	34	Very low	32.4	Very low	76 Å²	76	107.9 Å²	107.9	63%	0.628	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-51.7	-21	-179.6	0	0	0	0	0	114	R449 F450	A447-R449 PolarHBondContact O-N 3.38Å; A447-F450 PolarHBondContact O-N 2.99Å; A447-F450 VanDerWaalsContact O-N 3.07Å
448	S	35.6	Very low	31.8	Very low	87 Å²	87	109.1 Å²	109.1	61%	0.608	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-63.3	-14	174.9	56.5	0	0	0	0	115	P446	P446-S448 PolarHBondContact O-N 3.22Å
449	R	36.1	Very low	31.1	Very low	175 Å²	175	114.1 Å²	114.1	66%	0.66	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-93.5	-3.4	172.6	-66.1	-150.8	-173.5	169.1	-0.3	114.5	P446 A447	P446-R449 PolarHBondContact O-N 3.48Å; A447-R449 PolarHBondContact O-N 3.38Å
450	F	35.4	Very low	30.7	Very low	130 Å²	130	113.7 Å²	113.7	57%	0.57	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-14.9	174.9	-71.6	-85.6	0	0	0	113	A447 S452	A447-F450 PolarHBondContact O-N 2.99Å; A447-F450 VanDerWaalsContact O-N 3.07Å; F450-S452 PolarHBondContact O-N 3.22Å
451	S	30.4	Very low	30.6	Very low	77 Å²	77	114.4 Å²	114.4	54%	0.538	68%	0.68	S	S	.	*			trans	-83.2	105.4	171.5	59	0	0	0	0	109.7	L453	S451-L453 PolarHBondContact O-N 2.66Å
452	S	29.1	Very low	30.6	Very low	117 Å²	117	113.6 Å²	113.6	82%	0.818	67%	0.672	S	S	*	*			trans	-71.8	60.5	160.8	60.2	0	0	0	0	109.8	F450	F450-S452 PolarHBondContact O-N 3.22Å
453	L	29.6	Very low	30.7	Very low	140 Å²	140	116 Å²	116	73%	0.733	66%	0.663	S	S	*	*			trans	-118.1	64.2	169.6	-144.8	85.1	0	0	0	107.8	S451	S451-L453 PolarHBondContact O-N 2.66Å
454	S	29.4	Very low	30.8	Very low	90 Å²	90	109.6 Å²	109.6	63%	0.629	63%	0.631	S	S	*	*			trans	-123.7	111.1	165	70.1	0	0	0	0	108.7	S456	S454-S456 PolarHBondContact O-N 2.63Å
455	H	30.4	Very low	31.1	Very low	200 Å²	200	111.3 Å²	111.3	93%	0.926	63%	0.627	S	S	*	*			trans	-62.6	36.9	170.8	-79.2	-76.9	0	0	0	113.7
456	S	28.8	Very low	31.1	Very low	77 Å²	77	108.6 Å²	108.6	54%	0.538	62%	0.616	S	S	.	*			trans	-122.5	104.1	177.3	-173.4	0	0	0	0	109.6	S454 K458	S454-S456 PolarHBondContact O-N 2.63Å; S456-K458 PolarHBondContact O-N 2.86Å
457	T	26.1	Very low	31.2	Very low	137 Å²	137	109.8 Å²	109.8	84%	0.84	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	68.2	171.2	39.6	0	0	0	0	111.1
458	K	26.6	Very low	31	Very low	184 Å²	184	110 Å²	110	80%	0.8	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.5	1.3	169.4	-106.8	149.4	-161	-167.8	0	119.3	S456	S456-K458 PolarHBondContact O-N 2.86Å
459	F	26.3	Very low	30.8	Very low	190 Å²	190	109.1 Å²	109.1	83%	0.833	62%	0.617	S	S	*	*			trans	-132.4	95.2	176.9	-76.9	-81.4	0	0	0	113.4	S461	F459-S461 PolarHBondContact O-N 2.9Å
460	S	26	Very low	30.4	Very low	108 Å²	108	106.4 Å²	106.4	76%	0.755	62%	0.619	S	S	*	*			trans	-80.6	89.3	164.5	178.8	0	0	0	0	108.8	G462	S460-G462 PolarHBondContact O-N 3.18Å
461	S	31.3	Very low	30.1	Very low	86 Å²	86	104.3 Å²	104.3	60%	0.601	62%	0.621	S	S	*	*			trans	-90.1	83.5	171.8	69.2	0	0	0	0	110	F459 F463	F459-S461 PolarHBondContact O-N 2.9Å; S461-F463 PolarHBondContact O-N 2.85Å
462	G	30.3	Very low	30.1	Very low	34 Å²	34	103.6 Å²	103.6	35%	0.351	63%	0.626	S	S	.	*			trans	-71.2	109.1	170	0	0	0	0	0	110.5	S460	S460-G462 PolarHBondContact O-N 3.18Å
463	F	33.8	Very low	30.2	Very low	151 Å²	151	107.3 Å²	107.3	66%	0.662	63%	0.628	S	S	*	*			trans	-105.4	126.4	171.3	-75.4	-76.3	0	0	0	110.6	S461	S461-F463 PolarHBondContact O-N 2.85Å
464	S	33.8	Very low	30.3	Very low	18 Å²	18	103.6 Å²	103.6	13%	0.126	62%	0.617	C	S	.	*			trans	-72.8	134.8	172.5	-167.7	0	0	0	0	110.6	F309 A466	F309-S464 VanDerWaalsContact CE1-CB 3.41Å; S464-A466 PolarHBondContact O-N 2.95Å; S464-A466 VanDerWaalsContact O-N 3.15Å; S464-A466 WeakPolarHBondContact OG-CB 3.4Å; S464-A466 PolarHBondContact OG-N 3.32Å
465	V	36.3	Very low	30.5	Very low	106 Å²	106	103.2 Å²	103.2	64%	0.642	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-66.4	-8.8	169.5	176.6	0	0	0	0	111.4
466	A	34.4	Very low	30.8	Very low	20 Å²	20	101.4 Å²	101.4	17%	0.165	61%	0.607	C	S	.	*	G	3₁₀ helix	trans	-83.3	-9.5	-177.3	0	0	0	0	0	116.3	S464 A468 S469	S464-A466 PolarHBondContact O-N 2.95Å; S464-A466 VanDerWaalsContact O-N 3.15Å; S464-A466 WeakPolarHBondContact OG-CB 3.4Å; S464-A466 PolarHBondContact OG-N 3.32Å; A466-A468 VanDerWaalsContact C-N 3.27Å; A466-A468 PolarHBondContact O-N 3.37Å; A466-S469 PolarHBondContact O-OG 3.38Å
467	V	31.6	Very low	31.1	Very low	103 Å²	103	100.2 Å²	100.2	62%	0.624	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-77.8	-5.1	-171.7	-175.3	0	0	0	0	114	S469	V467-S469 PolarHBondContact O-N 2.94Å
468	A	29.3	Very low	31.4	Very low	81 Å²	81	96.2 Å²	96.2	67%	0.669	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-86.2	4.9	178.9	0	0	0	0	0	115.3	A466	A466-A468 VanDerWaalsContact C-N 3.27Å; A466-A468 PolarHBondContact O-N 3.37Å
469	S	31.4	Very low	31.7	Very low	68 Å²	68	91.1 Å²	91.1	48%	0.476	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-115.2	5.3	-177.9	63.7	0	0	0	0	115.1	A466 V467 S471	A466-S469 PolarHBondContact O-OG 3.38Å; V467-S469 PolarHBondContact O-N 2.94Å; S469-S471 VanDerWaalsContact C-N 3.35Å; S469-S471 PolarHBondContact O-N 2.84Å
470	V	29	Very low	32.2	Very low	117 Å²	117	84.4 Å²	84.4	71%	0.709	55%	0.549	S	S	*	.			trans	-86.5	74.2	178.5	-169.4	0	0	0	0	110.6
471	S	29.2	Very low	32.6	Very low	86 Å²	86	83.8 Å²	83.8	60%	0.601	54%	0.537	S	S	*	.			trans	-136.6	58.9	147.8	59.9	0	0	0	0	109.3	S469 F473 A474	S469-S471 VanDerWaalsContact C-N 3.35Å; S469-S471 PolarHBondContact O-N 2.84Å; S471-F473 PolarHBondContact O-N 2.79Å; S471-A474 PolarHBondContact O-N 3.43Å
472	G	30.5	Very low	32.9	Very low	63 Å²	63	84.1 Å²	84.1	65%	0.649	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	31.3	177.3	0	0	0	0	0	115.8
473	F	29.7	Very low	33.6	Very low	195 Å²	195	86.8 Å²	86.8	86%	0.855	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.7	168.3	-78.8	-73.6	0	0	0	113.5	S471	S471-F473 PolarHBondContact O-N 2.79Å
474	A	33	Very low	34.2	Very low	62 Å²	62	83.5 Å²	83.5	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-83	-17.7	-178.4	0	0	0	0	0	114.4	S471 A478	S471-A474 PolarHBondContact O-N 3.43Å; A474-A478 WeakPolarHBondContact O-CB 3.35Å; A474-A478 PolarHBondContact O-N 3.39Å
475	S	33.7	Very low	34.5	Very low	82 Å²	82	88.5 Å²	88.5	57%	0.573	56%	0.557	S	S	*	*	H	α-helix	trans	-76.1	-34.1	-174	69.7	0	0	0	0	113.8	S479	S475-S479 VanDerWaalsContact O-CB 3.29Å; S475-S479 WeakPolarHBondContact O-CB 3.31Å; S475-S479 PolarHBondContact O-N 3.14Å; S475-S479 VanDerWaalsContact O-N 3.13Å; S475-S479 PolarHBondContact O-OG 3.35Å
476	Q	36	Very low	34.8	Very low	161 Å²	161	86.6 Å²	86.6	75%	0.752	55%	0.553	S	S	*	*	H	α-helix	trans	-76.1	-34.5	173	-74.7	-175.7	-17.9	0	0	111.7	A480	Q476-A480 WeakPolarHBondContact O-CB 3.5Å; Q476-A480 PolarHBondContact O-N 2.94Å
477	A	33.8	Very low	35.3	Very low	52 Å²	52	89.8 Å²	89.8	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-39.9	175.7	0	0	0	0	0	112.8	A480 L481	A477-A480 PolarHBondContact O-N 3.28Å; A477-L481 WeakPolarHBondContact O-CB 3.46Å; A477-L481 PolarHBondContact O-N 3.34Å
478	A	32.7	Very low	35.7	Very low	54 Å²	54	90.6 Å²	90.6	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-69.8	-37.2	176	0	0	0	0	0	112.1	A474 C482	A474-A478 WeakPolarHBondContact O-CB 3.35Å; A474-A478 PolarHBondContact O-N 3.39Å; A478-C482 WeakPolarHBondContact O-CB 3.31Å; A478-C482 PolarHBondContact O-N 3.36Å; A478-C482 PolarHBondContact O-SG 3.1Å
479	S	34.3	Very low	36.2	Very low	76 Å²	76	97.4 Å²	97.4	53%	0.531	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-41	173.4	-55.5	0	0	0	0	111.4	S475 C482 V483	S475-S479 VanDerWaalsContact O-CB 3.29Å; S475-S479 WeakPolarHBondContact O-CB 3.31Å; S475-S479 PolarHBondContact O-N 3.14Å; S475-S479 VanDerWaalsContact O-N 3.13Å; S475-S479 PolarHBondContact O-OG 3.35Å; S479-C482 PolarHBondContact O-N 2.74Å; S479-V483 VanDerWaalsContact O-CG2 3.29Å; S479-V483 WeakPolarHBondContact O-CG2 3.42Å; S479-V483 PolarHBondContact O-N 2.86Å
480	A	36.4	Very low	36.5	Very low	49 Å²	49	100.7 Å²	100.7	41%	0.405	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-42.4	174.9	0	0	0	0	0	112	Q476 A477 V483 I484	Q476-A480 WeakPolarHBondContact O-CB 3.5Å; Q476-A480 PolarHBondContact O-N 2.94Å; A477-A480 PolarHBondContact O-N 3.28Å; A480-V483 PolarHBondContact O-N 3.42Å; A480-I484 WeakPolarHBondContact O-CB 3.41Å; A480-I484 WeakPolarHBondContact O-CD1 3.47Å; A480-I484 WeakPolarHBondContact O-CG1 3.17Å; A480-I484 PolarHBondContact O-N 3.13Å
481	L	33.3	Very low	36.5	Very low	96 Å²	96	102.6 Å²	102.6	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-67.6	-37.5	177.2	-85.2	163	0	0	0	112.7	A477 I484 H485	A477-L481 WeakPolarHBondContact O-CB 3.46Å; A477-L481 PolarHBondContact O-N 3.34Å; L481-I484 PolarHBondContact O-N 3.32Å; L481-H485 WeakPolarHBondContact O-CB 3.22Å; L481-H485 PolarHBondContact O-CD2 2.86Å; L481-H485 VanDerWaalsContact O-CD2 3.25Å; L481-H485 PolarHBondContact O-N 3.48Å
482	C	38.4	Very low	36.7	Very low	92 Å²	92	103.1 Å²	103.1	62%	0.622	61%	0.606	S	S	*	*	H	α-helix	trans	-67	-36	173.8	-77.4	0	0	0	0	112.3	A478 S479 H485 A486	A478-C482 WeakPolarHBondContact O-CB 3.31Å; A478-C482 PolarHBondContact O-N 3.36Å; A478-C482 PolarHBondContact O-SG 3.1Å; S479-C482 PolarHBondContact O-N 2.74Å; C482-H485 PolarHBondContact O-N 2.87Å; C482-A486 VanDerWaalsContact O-CB 3.26Å; C482-A486 WeakPolarHBondContact O-CB 3.38Å; C482-A486 PolarHBondContact O-N 3.08Å
483	V	45	Very low	36.6	Very low	91 Å²	91	108 Å²	108	55%	0.552	62%	0.617	S	S	*	*	H	α-helix	trans	-68.9	-36.6	172.5	173.4	0	0	0	0	111.3	S479 A480 T487	S479-V483 VanDerWaalsContact O-CG2 3.29Å; S479-V483 WeakPolarHBondContact O-CG2 3.42Å; S479-V483 PolarHBondContact O-N 2.86Å; A480-V483 PolarHBondContact O-N 3.42Å; V483-T487 WeakPolarHBondContact O-CB 3.1Å; V483-T487 WeakPolarHBondContact O-CG2 3.39Å; V483-T487 PolarHBondContact O-N 3.14Å; V483-T487 PolarHBondContact O-OG1 3.49Å
484	I	45.3	Very low	36.7	Very low	81 Å²	81	104.5 Å²	104.5	42%	0.415	62%	0.617	S	S	.	*	H	α-helix	trans	-69.1	-37.8	175.3	-68.7	163.2	0	0	0	111.2	A480 L481 T487 N488	A480-I484 WeakPolarHBondContact O-CB 3.41Å; A480-I484 WeakPolarHBondContact O-CD1 3.47Å; A480-I484 WeakPolarHBondContact O-CG1 3.17Å; A480-I484 PolarHBondContact O-N 3.13Å; L481-I484 PolarHBondContact O-N 3.32Å; I484-T487 WeakPolarHBondContact CA-OG1 3.19Å; I484-T487 PolarHBondContact O-OG1 3.48Å; I484-N488 VanDerWaalsContact O-CB 3.24Å; I484-N488 WeakPolarHBondContact O-CB 3.4Å; I484-N488 PolarHBondContact O-N 3.48Å; I484-N488 PolarHBondContact O-ND2 3.29Å
485	H	41.8	Very low	36.7	Very low	123 Å²	123	107.9 Å²	107.9	57%	0.569	63%	0.631	S	S	*	*	H	α-helix	trans	-77.1	-27.1	176.8	-83.2	-72.6	0	0	0	113.7	L481 C482	L481-H485 WeakPolarHBondContact O-CB 3.22Å; L481-H485 PolarHBondContact O-CD2 2.86Å; L481-H485 VanDerWaalsContact O-CD2 3.25Å; L481-H485 PolarHBondContact O-N 3.48Å; C482-H485 PolarHBondContact O-N 2.87Å
486	A	42.1	Very low	36.6	Very low	66 Å²	66	113.2 Å²	113.2	55%	0.545	65%	0.647	S	S	.	*	H	α-helix	trans	-75.5	-34.8	172.3	0	0	0	0	0	112.2	C482	C482-A486 VanDerWaalsContact O-CB 3.26Å; C482-A486 WeakPolarHBondContact O-CB 3.38Å; C482-A486 PolarHBondContact O-N 3.08Å
487	T	43.9	Very low	36.3	Very low	87 Å²	87	114.9 Å²	114.9	53%	0.534	65%	0.652	S	S	.	*	H	α-helix	trans	-78.6	-29.1	176.3	47.3	0	0	0	0	112.9	V483 I484 R489	V483-T487 WeakPolarHBondContact O-CB 3.1Å; V483-T487 WeakPolarHBondContact O-CG2 3.39Å; V483-T487 PolarHBondContact O-N 3.14Å; V483-T487 PolarHBondContact O-OG1 3.49Å; I484-T487 WeakPolarHBondContact CA-OG1 3.19Å; I484-T487 PolarHBondContact O-OG1 3.48Å; T487-R489 PolarHBondContact O-N 3.42Å
488	N	40	Very low	36.2	Very low	120 Å²	120	119.1 Å²	119.1	64%	0.642	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-0.4	178.4	-77.1	-26.9	0	0	0	115.8	I484	I484-N488 VanDerWaalsContact O-CB 3.24Å; I484-N488 WeakPolarHBondContact O-CB 3.4Å; I484-N488 PolarHBondContact O-N 3.48Å; I484-N488 PolarHBondContact O-ND2 3.29Å
489	R	40.4	Very low	35.9	Very low	225 Å²	225	122.8 Å²	122.8	85%	0.849	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	10.1	174.6	-84.1	-169.1	178.6	-179.4	2.1	115	T487	T487-R489 PolarHBondContact O-N 3.42Å
490	I	37.1	Very low	35.7	Very low	136 Å²	136	125.8 Å²	125.8	70%	0.697	71%	0.705	S	S	*	*	S	Bend	trans	-96.3	-3.8	-177.4	-64.3	175.6	0	0	0	113.7
491	N	29.6	Very low	35.2	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	73%	0.731	S	S	*	*			trans	-115.9	82.1	177.3	-80.5	-12.6	0	0	0	112.7
492	A	33.2	Very low	35	Very low	98 Å²	98	134.2 Å²	134.2	81%	0.81	74%	0.742	S	S	*	*			trans	-149.1	111.5	155	0	0	0	0	0	109
493	N	29.2	Very low	34.5	Very low	165 Å²	165	139.5 Å²	139.5	88%	0.882	76%	0.757	S	S	*	*			trans	-61.4	131.5	-173.9	-57.1	-44.5	0	0	0	112.9
494	S	32.3	Very low	33.6	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	77%	0.773	S	S	*	*				-166.7	130.3	126	69.3	0	0	0	0	111.6
495	V	31.8	Very low	32.8	Very low	134 Å²	134	147.7 Å²	147.7	81%	0.812	79%	0.79	S	S	*	*			trans	-64.4	133.1	179.6	172.1	0	0	0	0	111.7
496	E	31.8	Very low	32	Very low	194 Å²	194	150.1 Å²	150.1	91%	0.907	80%	0.802	S	S	*	*				-170.5	136.1	125.1	-104.2	175.1	-171.3	0	0	112.5
497	K	30.1	Very low	31.4	Very low	196 Å²	196	152.3 Å²	152.3	85%	0.852	81%	0.81	S	S	*	*			trans	-80.6	144.3	-172.9	-69.6	163.1	170.5	172.4	0	110.4
498	T	30.7	Very low	30.6	Very low	141 Å²	141	154.8 Å²	154.8	87%	0.865	82%	0.819	S	S	*	*				-176.2	128.3	120.3	-64.8	0	0	0	0	109.7
499	T	26.7	Very low	29.9	Very low	130 Å²	130	157.3 Å²	157.3	80%	0.798	82%	0.824	S	S	*	*			trans	-88.4	126.4	-176.5	43.4	0	0	0	0	112.5
500	T	31.4	Very low	29.5	Very low	139 Å²	139	150.7 Å²	150.7	85%	0.853	82%	0.818	S	S	*	*			trans	-151.8	133.3	149.7	45.7	0	0	0	0	110.8
501	F	25.9	Very low	29.3	Very low	218 Å²	218	147.1 Å²	147.1	96%	0.956	82%	0.815	S	S	*	*			trans	-44.6	126.1	-179.5	-98.4	-112	0	0	0	115.8
502	S	29.3	Very low	29.3	Very low	105 Å²	105	147.1 Å²	147.1	73%	0.734	81%	0.81	S	S	*	*			trans	-166.8	116.8	144.8	-179.6	0	0	0	0	108.1	R504	S502-R504 PolarHBondContact O-N 3.15Å
503	Q	26.3	Very low	29.2	Very low	203 Å²	203	148 Å²	148	95%	0.949	80%	0.801	S	S	*	*			trans	-57.7	99.9	169.6	-92.8	176.9	-34.9	0	0	108.7
504	R	26.1	Very low	29.4	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	78%	0.78	S	S	*	*			trans	-99.7	113.6	166.6	-134.9	177.3	-166.4	-179.7	3.4	107.7	S502 Q506	S502-R504 PolarHBondContact O-N 3.15Å; R504-Q506 PolarHBondContact O-N 3.33Å
505	S	28.6	Very low	29.3	Very low	111 Å²	111	146 Å²	146	78%	0.776	77%	0.772	S	S	*	*			trans	-47.6	131.3	171.8	38.5	0	0	0	0	111.1
506	Q	25.6	Very low	29.2	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	75%	0.753	S	S	*	*			trans	-67.7	142.4	164.8	-68	-158.7	-10.8	0	0	109.3	R504 I508	R504-Q506 PolarHBondContact O-N 3.33Å; Q506-I508 PolarHBondContact O-N 3.23Å; Q506-I508 VanDerWaalsContact O-N 3.08Å
507	P	29	Very low	29.3	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	73%	0.732	S	S	*	*			trans	-69.9	108.7	176.6	28.8	-31.2	0	0	0	108.8	F509	P507-F509 PolarHBondContact O-N 3.29Å
508	I	27.5	Very low	29.5	Very low	139 Å²	139	132.5 Å²	132.5	71%	0.713	71%	0.71	S	S	*	*			trans	-68.8	113.4	170.1	-64.4	169.2	0	0	0	106.8	Q506 A510	Q506-I508 PolarHBondContact O-N 3.23Å; Q506-I508 VanDerWaalsContact O-N 3.08Å; I508-A510 PolarHBondContact O-N 3.44Å
509	F	25.5	Very low	29.7	Very low	173 Å²	173	130.3 Å²	130.3	76%	0.759	70%	0.697	S	S	*	*			trans	-70.1	126.4	174.6	-89.7	-92.2	0	0	0	109.8	P507 G511	P507-F509 PolarHBondContact O-N 3.29Å; F509-G511 PolarHBondContact O-N 3.26Å
510	A	31.9	Very low	30	Very low	86 Å²	86	130.4 Å²	130.4	71%	0.711	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	12.4	-177.6	0	0	0	0	0	116.4	I508	I508-A510 PolarHBondContact O-N 3.44Å
511	G	31.8	Very low	30.1	Very low	62 Å²	62	127.5 Å²	127.5	64%	0.639	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-22	178.4	0	0	0	0	0	114.8	F509	F509-G511 PolarHBondContact O-N 3.26Å
512	Q	30.9	Very low	30.3	Very low	156 Å²	156	119.6 Å²	119.6	73%	0.729	64%	0.641	S	S	*	*	S	Bend	trans	-83.5	-30.4	-179	-95.2	172.7	-32.6	0	0	113.3	R514	Q512-R514 VanDerWaalsContact C-N 3.27Å; Q512-R514 PolarHBondContact O-N 2.83Å
513	D	31.1	Very low	30.2	Very low	116 Å²	116	122.1 Å²	122.1	62%	0.62	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-3.3	-176.5	-81.9	-21.1	0	0	0	115.1	S516	D513-S516 PolarHBondContact O-OG 2.7Å
514	R	32.2	Very low	30.3	Very low	117 Å²	117	117.4 Å²	117.4	44%	0.442	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-1.9	177.3	-70.5	-164.3	169.6	178.5	-1.7	114.8	Q512 S516 L517	Q512-R514 VanDerWaalsContact C-N 3.27Å; Q512-R514 PolarHBondContact O-N 2.83Å; R514-S516 VanDerWaalsContact C-N 3.3Å; R514-L517 HydrophobicContact CB-CD1 4.41Å; R514-L517 HydrophobicContact CG-CD1 4.08Å
515	L	31.4	Very low	30.3	Very low	129 Å²	129	114.4 Å²	114.4	68%	0.675	63%	0.631	S	S	*	*	S	Bend	trans	-75.4	-21.7	166	-84.2	154.4	0	0	0	112.1	L517 F518	L515-L517 VanDerWaalsContact C-N 3.34Å; L515-F518 PolarHBondContact O-N 2.89Å
516	S	30.4	Very low	30.2	Very low	59 Å²	59	114.6 Å²	114.6	41%	0.413	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-68.7	-29.2	175.4	61.3	0	0	0	0	113	D513 R514 F518 T519	D513-S516 PolarHBondContact O-OG 2.7Å; R514-S516 VanDerWaalsContact C-N 3.3Å; S516-F518 PolarHBondContact O-N 3.24Å; S516-T519 VanDerWaalsContact C-OG1 3.3Å; S516-T519 WeakPolarHBondContact CA-OG1 3.17Å; S516-T519 WeakPolarHBondContact O-CB 3.43Å; S516-T519 PolarHBondContact O-N 2.85Å; S516-T519 PolarHBondContact O-OG1 2.87Å
517	L	33.5	Very low	30.1	Very low	92 Å²	92	111.4 Å²	111.4	48%	0.482	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-67.4	-14.1	176.1	-76.9	157.1	0	0	0	113.7	R514 L515	R514-L517 HydrophobicContact CB-CD1 4.41Å; R514-L517 HydrophobicContact CG-CD1 4.08Å; L515-L517 VanDerWaalsContact C-N 3.34Å
518	F	33.4	Very low	29.9	Very low	88 Å²	88	109.4 Å²	109.4	39%	0.386	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-87.6	-8.8	172.1	-84	-80.5	0	0	0	113.8	K191 L515 S516	K191-F518 PolarHBondContact NZ-O 3.5Å; L515-F518 PolarHBondContact O-N 2.89Å; S516-F518 PolarHBondContact O-N 3.24Å
519	T	34.4	Very low	29.9	Very low	95 Å²	95	109.9 Å²	109.9	58%	0.583	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-13.8	-178.8	7.4	0	0	0	0	113.6	S516 W521	S516-T519 VanDerWaalsContact C-OG1 3.3Å; S516-T519 WeakPolarHBondContact CA-OG1 3.17Å; S516-T519 WeakPolarHBondContact O-CB 3.43Å; S516-T519 PolarHBondContact O-N 2.85Å; S516-T519 PolarHBondContact O-OG1 2.87Å; T519-W521 PolarHBondContact O-N 3.36Å
520	E	33.1	Very low	29.8	Very low	132 Å²	132	107.6 Å²	107.6	62%	0.617	65%	0.646	S	S	*	*			trans	-79.1	4.5	-179.8	-67.9	-179.8	173.6	0	0	114.3	G522	E520-G522 PolarHBondContact O-N 3.42Å
521	W	33.4	Very low	29.6	Very low	79 Å²	79	110.3 Å²	110.3	30%	0.299	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	73.6	170.5	-69	57.1	0	0	0	109.4	D200 N215 T519	D200-W521 HydrophobicContact CB-CH2 3.3Å; D200-W521 HydrophobicContact CB-CZ2 4.16Å; D200-W521 HydrophobicContact CB-CZ3 3.78Å; D200-W521 WeakPolarHBondContact OD2-CH2 3.11Å; D200-W521 WeakPolarHBondContact OD2-CZ2 3.42Å; N215-W521 HydrophobicContact CB-CZ3 4.41Å; N215-W521 VanDerWaalsContact CG-CZ3 3.42Å; N215-W521 WeakPolarHBondContact OD1-CH2 3.28Å; N215-W521 WeakPolarHBondContact OD1-CZ3 3.31Å; T519-W521 PolarHBondContact O-N 3.36Å
522	G	30	Very low	29.4	Very low	51 Å²	51	112.7 Å²	112.7	53%	0.526	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	139.9	8.4	172.2	0	0	0	0	0	118.2	E520 S524	E520-G522 PolarHBondContact O-N 3.42Å; G522-S524 PolarHBondContact O-N 3.03Å
523	H	28.8	Very low	29.3	Very low	159 Å²	159	110.7 Å²	110.7	74%	0.736	66%	0.658	S	S	*	*			trans	-88.1	89.2	172.2	-74	-62.8	0	0	0	111.4
524	S	26.6	Very low	29.2	Very low	104 Å²	104	112.1 Å²	112.1	73%	0.727	67%	0.671	S	S	*	*			trans	-71	128.7	152.3	49.1	0	0	0	0	109	G522	G522-S524 PolarHBondContact O-N 3.03Å
525	L	26.4	Very low	28.9	Very low	170 Å²	170	109.4 Å²	109.4	89%	0.89	68%	0.679	S	S	*	*			trans	-112.5	109.4	162.8	-90.5	160.5	0	0	0	108.1
526	P	26.6	Very low	28.7	Very low	114 Å²	114	113.9 Å²	113.9	74%	0.74	69%	0.693	S	S	*	*			trans	-77.6	152.5	159.3	9.9	7	0	0	0	110.2
527	A	23.9	Very low	28.5	Very low	108 Å²	108	121.5 Å²	121.5	89%	0.893	71%	0.713	S	S	*	*	S	Bend	trans	-56.7	147.4	-169	0	0	0	0	0	117
528	G	24.4	Very low	28.4	Very low	68 Å²	68	125.3 Å²	125.3	70%	0.701	73%	0.728	S	S	*	*			trans	90.6	94.7	141.4	0	0	0	0	0	117.8
529	T	28.1	Very low	28.1	Very low	150 Å²	150	124.7 Å²	124.7	92%	0.92	75%	0.746	S	S	*	*				-173.9	121	129.5	6.9	0	0	0	0	111.2
530	C	22.9	Very low	28	Very low	125 Å²	125	126.9 Å²	126.9	85%	0.845	76%	0.759	S	S	*	*			trans	-82.3	140.6	175.4	-63.4	0	0	0	0	111.9
531	V	28.9	Very low	27.6	Very low	143 Å²	143	126.1 Å²	126.1	87%	0.867	77%	0.766	S	S	*	*			trans	-148.3	119.3	149.9	-174.6	0	0	0	0	108.9
532	P	27.2	Very low	27.5	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	79%	0.794	S	S	*	*			trans	-102.1	162.4	176.8	37.2	-29	0	0	0	112.2
533	P	28	Very low	27.4	Very low	114 Å²	114	133.4 Å²	133.4	74%	0.74	81%	0.808	S	S	*	*				-145.1	141.4	126.4	23.7	-2.4	0	0	0	116
534	V	29.7	Very low	27.3	Very low	147 Å²	147	130.6 Å²	130.6	89%	0.891	81%	0.812	S	S	*	*			trans	62.9	118	136.3	-173	0	0	0	0	117.2
535	G	25.7	Very low	27.4	Very low	59 Å²	59	133 Å²	133	61%	0.608	82%	0.817	S	S	*	*			cis	147.9	107.3	9.1	0	0	0	0	0	108.5
536	F	27.2	Very low	27.4	Very low	223 Å²	223	133.2 Å²	133.2	98%	0.978	82%	0.819	S	S	*	*			trans	-157	122	151.7	-106	-78.7	0	0	0	109.1
537	R	27.5	Very low	27.7	Very low	219 Å²	219	132 Å²	132	83%	0.826	81%	0.813	S	S	*	*			trans	-69.5	155.7	178.6	-57	175.1	170.5	-164.6	-2.1	109.7
538	H	29.8	Very low	28.3	Very low	173 Å²	173	131.9 Å²	131.9	80%	0.801	80%	0.801	S	S	*	*			cis	-164.2	142.8	33.9	-108.1	-70	0	0	0	108.5
539	G	28.3	Very low	28.3	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	81%	0.807	S	S	*	*			trans	147	92	164	0	0	0	0	0	115.2
540	V	30.7	Very low	28.6	Very low	141 Å²	141	129.5 Å²	129.5	86%	0.855	78%	0.783	S	S	*	*			trans	-10.9	129.3	171.6	-171.5	0	0	0	0	118.3
541	P	25.9	Very low	29.2	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	77%	0.774	S	S	*	*			trans	-94.3	138.5	-172.8	36.6	-30.8	0	0	0	113.4
542	N	30.1	Very low	29.5	Very low	165 Å²	165	124.4 Å²	124.4	88%	0.882	75%	0.751	S	S	*	*			trans	-111.6	143.2	155.6	-89.6	-12.7	0	0	0	109
543	S	29.3	Very low	30.1	Very low	118 Å²	118	125 Å²	125	83%	0.825	75%	0.749	S	S	*	*			trans	-53	141.9	-161.4	56.6	0	0	0	0	116.2
544	A	26.5	Very low	31.2	Very low	100 Å²	100	123.4 Å²	123.4	83%	0.826	73%	0.733	S	S	*	*			trans	-55.4	125.5	175.7	0	0	0	0	0	113.3
545	D	28.6	Very low	32	Very low	153 Å²	153	119 Å²	119	82%	0.818	71%	0.712	S	S	*	*			trans	-135	111.9	157.1	-138.1	-0.8	0	0	0	106.1	S547	D545-S547 PolarHBondContact O-N 2.89Å
546	D	27.2	Very low	33	Very low	176 Å²	176	121.8 Å²	121.8	94%	0.941	71%	0.711	S	S	*	*			trans	-62.3	97.2	-177.8	-88.3	-35.4	0	0	0	109.9
547	S	31.7	Very low	34.1	Very low	88 Å²	88	115.5 Å²	115.5	62%	0.615	69%	0.687	S	S	*	*			trans	-107.7	118.2	168.1	45.3	0	0	0	0	108.7	D545	D545-S547 PolarHBondContact O-N 2.89Å
548	V	35.8	Very low	35.4	Very low	106 Å²	106	107.6 Å²	107.6	64%	0.642	66%	0.659	S	S	*	*			trans	-54.1	125.1	171.5	176	0	0	0	0	108.5	G550	V548-G550 PolarHBondContact O-N 3.36Å; V548-G550 VanDerWaalsContact O-N 3.13Å
549	P	26	Very low	36.7	Very low	125 Å²	125	104.3 Å²	104.3	81%	0.812	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	113.2	-177.4	26.9	-31.3	0	0	0	109.1
550	G	32.9	Very low	37.9	Very low	42 Å²	42	104.1 Å²	104.1	43%	0.433	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	151.1	-20.5	171.5	0	0	0	0	0	116.6	V548	V548-G550 PolarHBondContact O-N 3.36Å; V548-G550 VanDerWaalsContact O-N 3.13Å
551	T	36.1	Very low	39.2	Very low	106 Å²	106	99.1 Å²	99.1	65%	0.65	59%	0.59	S	S	*	*	S	Bend	trans	-108.5	-22.4	-180	56.7	0	0	0	0	114	A555	T551-A555 PolarHBondContact O-N 3.43Å
552	S	36.4	Very low	40.8	Very low	56 Å²	56	95.6 Å²	95.6	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-66.4	-35.8	176.4	44.5	0	0	0	0	112.6	M556	S552-M556 WeakPolarHBondContact O-CB 3.44Å; S552-M556 PolarHBondContact O-N 3.49Å; S552-M556 VanDerWaalsContact O-N 3.07Å
553	D	38.7	Very low	42.3	Very low	124 Å²	124	91.4 Å²	91.4	66%	0.663	55%	0.548	S	S	*	.	H	α-helix	trans	-70.3	-33.1	-180	-67.9	-24	0	0	0	112.5	L557	D553-L557 WeakPolarHBondContact O-CB 3.48Å; D553-L557 PolarHBondContact O-N 2.81Å
554	I	52	Low	43.6	Very low	80 Å²	80	95.3 Å²	95.3	41%	0.41	55%	0.545	S	S	.	.	H	α-helix	trans	-73.2	-45.6	178.7	-61.3	171.3	0	0	0	110.3	M556 L557 E558 T577	I554-M556 VanDerWaalsContact C-N 3.31Å; I554-M556 PolarHBondContact O-N 3.13Å; I554-L557 PolarHBondContact O-N 3.36Å; I554-L557 VanDerWaalsContact O-N 3.15Å; I554-E558 HydrophobicContact CG2-CG 4.36Å; I554-E558 WeakPolarHBondContact O-CB 3.29Å; I554-E558 WeakPolarHBondContact O-CG 3.41Å; I554-E558 PolarHBondContact O-N 3.46Å; I554-T577 HydrophobicContact CG2-CG2 4.02Å
555	A	45.6	Very low	44.9	Very low	55 Å²	55	94 Å²	94	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-37.4	177.4	0	0	0	0	0	112.2	T551 Y559	T551-A555 PolarHBondContact O-N 3.43Å; A555-Y559 WeakPolarHBondContact O-CB 3.41Å; A555-Y559 PolarHBondContact O-N 3.5Å
556	M	46	Very low	46.1	Very low	117 Å²	117	88.7 Å²	88.7	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-68	-37.7	174.1	-163.6	71.3	176.6	0	0	111.6	S552 I554 N560	S552-M556 WeakPolarHBondContact O-CB 3.44Å; S552-M556 PolarHBondContact O-N 3.49Å; S552-M556 VanDerWaalsContact O-N 3.07Å; I554-M556 VanDerWaalsContact C-N 3.31Å; I554-M556 PolarHBondContact O-N 3.13Å; M556-N560 WeakPolarHBondContact O-CB 3.32Å; M556-N560 PolarHBondContact O-N 2.82Å; M556-N560 PolarHBondContact O-ND2 3.06Å
557	L	50.3	Low	47.7	Very low	90 Å²	90	85 Å²	85	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-70.4	-42.1	176.6	-171.5	69.7	0	0	0	111.8	D553 I554 N560 L561 L575	D553-L557 WeakPolarHBondContact O-CB 3.48Å; D553-L557 PolarHBondContact O-N 2.81Å; I554-L557 PolarHBondContact O-N 3.36Å; I554-L557 VanDerWaalsContact O-N 3.15Å; L557-N560 PolarHBondContact O-N 3.44Å; L557-L561 HydrophobicContact CG-CD1 4.02Å; L557-L561 WeakPolarHBondContact O-CB 3.28Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.21Å; L557-L561 PolarHBondContact O-N 2.99Å; L557-L575 HydrophobicContact CD2-CD2 3.41Å; L557-L575 VanDerWaalsContact CD2-CD2 3.41Å; L557-L575 HydrophobicContact CG-CD2 3.9Å
558	E	55.2	Low	48.9	Very low	53 Å²	53	84.9 Å²	84.9	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-54.8	-53.5	169.9	-78	-177.8	125.6	0	0	110.3	I554 N560 L561 L562 L575 T577	I554-E558 HydrophobicContact CG2-CG 4.36Å; I554-E558 WeakPolarHBondContact O-CB 3.29Å; I554-E558 WeakPolarHBondContact O-CG 3.41Å; I554-E558 PolarHBondContact O-N 3.46Å; E558-N560 VanDerWaalsContact C-N 3.29Å; E558-N560 PolarHBondContact O-N 2.68Å; E558-L561 PolarHBondContact O-N 2.81Å; E558-L561 VanDerWaalsContact O-N 3.15Å; E558-L562 HydrophobicContact CB-CD1 4.36Å; E558-L562 WeakPolarHBondContact O-CB 3.26Å; E558-L562 WeakPolarHBondContact O-CD1 3.28Å; E558-L562 VanDerWaalsContact O-CG 3.26Å; E558-L562 WeakPolarHBondContact O-CG 3.17Å; E558-L562 PolarHBondContact O-N 3.24Å; E558-L575 HydrophobicContact CB-CD1 4.21Å; E558-L575 HydrophobicContact CG-CD1 3.46Å; E558-L575 VanDerWaalsContact CG-CD1 3.46Å; E558-T577 VanDerWaalsContact CD-CG2 3.47Å; E558-T577 HydrophobicContact CG-CG2 3.98Å; E558-T577 WeakPolarHBondContact OE1-CB 3.34Å; E558-T577 WeakPolarHBondContact OE1-CG2 3.4Å; E558-T577 PolarHBondContact OE1-OG1 3.06Å
559	Y	57.3	Low	49.8	Very low	105 Å²	105	84.3 Å²	84.3	41%	0.412	48%	0.477	S	S	.	.	H	α-helix	trans	-55.3	-43.1	177.4	178.6	-97.8	0	0	0	112.4	A555 S563	A555-Y559 WeakPolarHBondContact O-CB 3.41Å; A555-Y559 PolarHBondContact O-N 3.5Å; Y559-S563 VanDerWaalsContact O-CB 3.23Å; Y559-S563 WeakPolarHBondContact O-CB 3.44Å; Y559-S563 PolarHBondContact O-N 2.82Å; Y559-S563 PolarHBondContact O-OG 3.23Å
560	N	53.7	Low	51.2	Low	69 Å²	69	81.5 Å²	81.5	37%	0.369	46%	0.458	S	S	.	.	H	α-helix	trans	-68.8	-36.9	178.4	-84.2	-69.2	0	0	0	113.5	M556 L557 E558 R564	M556-N560 WeakPolarHBondContact O-CB 3.32Å; M556-N560 PolarHBondContact O-N 2.82Å; M556-N560 PolarHBondContact O-ND2 3.06Å; L557-N560 PolarHBondContact O-N 3.44Å; E558-N560 VanDerWaalsContact C-N 3.29Å; E558-N560 PolarHBondContact O-N 2.68Å; N560-R564 VanDerWaalsContact O-CG 3.29Å; N560-R564 WeakPolarHBondContact O-CG 3.41Å; N560-R564 PolarHBondContact O-N 2.89Å
561	L	57.1	Low	52.1	Low	37 Å²	37	79.8 Å²	79.8	19%	0.194	44%	0.439	C	S	.	.	H	α-helix	trans	-73.5	-41	178.4	-71.9	167.6	0	0	0	111.2	L557 E558 R564 G565 V566 M571 L575	L557-L561 HydrophobicContact CG-CD1 4.02Å; L557-L561 WeakPolarHBondContact O-CB 3.28Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.21Å; L557-L561 PolarHBondContact O-N 2.99Å; E558-L561 PolarHBondContact O-N 2.81Å; E558-L561 VanDerWaalsContact O-N 3.15Å; L561-R564 PolarHBondContact O-N 2.78Å; L561-R564 VanDerWaalsContact O-N 3.13Å; L561-G565 PolarHBondContact O-N 2.73Å; L561-V566 HydrophobicContact CB-CB 4.44Å; L561-V566 HydrophobicContact CB-CG2 4.3Å; L561-V566 HydrophobicContact CD2-CG2 4.14Å; L561-V566 WeakPolarHBondContact O-CB 3.39Å; L561-V566 VanDerWaalsContact O-CG2 3.28Å; L561-V566 WeakPolarHBondContact O-CG2 3.18Å; L561-V566 PolarHBondContact O-N 2.78Å; L561-M571 HydrophobicContact CB-CG 4.41Å; L561-M571 HydrophobicContact CB-SD 4.35Å; L561-L575 HydrophobicContact CD1-CD1 3.52Å; L561-L575 HydrophobicContact CD1-CD2 3.76Å; L561-L575 HydrophobicContact CD1-CG 3.85Å
562	L	60.4	Low	53	Low	43 Å²	43	78.7 Å²	78.7	23%	0.225	43%	0.425	C	S	.	.	H	α-helix	trans	-60.4	-46.9	172.5	-81.6	164.4	0	0	0	112	Y334 E558 R564 G565 M571	Y334-L562 HydrophobicContact CD1-CD2 4.29Å; Y334-L562 HydrophobicContact CE1-CB 3.65Å; Y334-L562 HydrophobicContact CE1-CD1 3.92Å; Y334-L562 HydrophobicContact CE1-CD2 3.54Å; Y334-L562 HydrophobicContact CE1-CG 3.86Å; Y334-L562 WeakPolarHBondContact OH-CB 3.41Å; Y334-L562 WeakPolarHBondContact OH-CD1 3.13Å; E558-L562 HydrophobicContact CB-CD1 4.36Å; E558-L562 WeakPolarHBondContact O-CB 3.26Å; E558-L562 WeakPolarHBondContact O-CD1 3.28Å; E558-L562 VanDerWaalsContact O-CG 3.26Å; E558-L562 WeakPolarHBondContact O-CG 3.17Å; E558-L562 PolarHBondContact O-N 3.24Å; L562-R564 PolarHBondContact O-N 2.81Å; L562-R564 VanDerWaalsContact O-N 3.12Å; L562-G565 PolarHBondContact O-N 2.96Å; L562-M571 HydrophobicContact CB-SD 4.35Å; L562-M571 HydrophobicContact CD1-SD 4.4Å; L562-M571 HydrophobicContact CD2-CE 3.28Å; L562-M571 HydrophobicContact CD2-SD 3.41Å; L562-M571 WeakPolarHBondContact CD2-SD 3.49Å; L562-M571 HydrophobicContact CG-CE 4.03Å; L562-M571 HydrophobicContact CG-SD 3.41Å; L562-M571 WeakPolarHBondContact CG-SD 3.31Å
563	S	61.5	Low	53.6	Low	76 Å²	76	81.9 Å²	81.9	53%	0.531	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.3	175.4	-62	0	0	0	0	113.3	Y559	Y559-S563 VanDerWaalsContact O-CB 3.23Å; Y559-S563 WeakPolarHBondContact O-CB 3.44Å; Y559-S563 PolarHBondContact O-N 2.82Å; Y559-S563 PolarHBondContact O-OG 3.23Å
564	R	57	Low	53.6	Low	201 Å²	201	80.7 Å²	80.7	76%	0.758	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	5.7	176.8	-73.6	177.5	174	179.9	0.3	113.6	N560 L561 L562 V566	N560-R564 VanDerWaalsContact O-CG 3.29Å; N560-R564 WeakPolarHBondContact O-CG 3.41Å; N560-R564 PolarHBondContact O-N 2.89Å; L561-R564 PolarHBondContact O-N 2.78Å; L561-R564 VanDerWaalsContact O-N 3.13Å; L562-R564 PolarHBondContact O-N 2.81Å; L562-R564 VanDerWaalsContact O-N 3.12Å; R564-V566 HydrophobicContact CB-CG2 4.45Å
565	G	53.2	Low	53.2	Low	71 Å²	71	78.4 Å²	78.4	73%	0.732	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	26.4	176.7	0	0	0	0	0	114.2	L561 L562	L561-G565 PolarHBondContact O-N 2.73Å; L562-G565 PolarHBondContact O-N 2.96Å
566	V	54.7	Low	53	Low	43 Å²	43	78.5 Å²	78.5	26%	0.261	43%	0.434	S	S	.	.			trans	-70.1	131.8	176.7	-179.9	0	0	0	0	109.4	L561 R564 T570 M571	L561-V566 HydrophobicContact CB-CB 4.44Å; L561-V566 HydrophobicContact CB-CG2 4.3Å; L561-V566 HydrophobicContact CD2-CG2 4.14Å; L561-V566 WeakPolarHBondContact O-CB 3.39Å; L561-V566 VanDerWaalsContact O-CG2 3.28Å; L561-V566 WeakPolarHBondContact O-CG2 3.18Å; L561-V566 PolarHBondContact O-N 2.78Å; R564-V566 HydrophobicContact CB-CG2 4.45Å; V566-T570 HydrophobicContact CG1-CG2 3.72Å; V566-M571 HydrophobicContact CB-CG 4.19Å; V566-M571 HydrophobicContact CB-SD 4.49Å; V566-M571 HydrophobicContact CG1-CG 3.82Å; V566-M571 WeakPolarHBondContact O-CE 3.17Å
567	D	59.6	Low	53.1	Low	98 Å²	98	74.3 Å²	74.3	52%	0.524	42%	0.415	S	S	.	.			trans	-59.7	142.2	179.5	179.2	34.9	0	0	0	111.9	D569 T570 M571	D567-D569 PolarHBondContact O-N 2.8Å; D567-T570 CarbonylContact O-C 3.53Å; D567-T570 WeakPolarHBondContact O-CA 3.44Å; D567-T570 VanDerWaalsContact O-CB 3.28Å; D567-T570 WeakPolarHBondContact O-CB 3.4Å; D567-T570 PolarHBondContact O-N 3.16Å; D567-M571 PolarHBondContact O-N 3.45Å
568	E	57.1	Low	53.4	Low	86 Å²	86	75.5 Å²	75.5	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-56	-36.9	-178.4	-83.1	-73.8	152.8	0	0	112.2	T570 M571 K572	E568-T570 VanDerWaalsContact C-N 3.32Å; E568-M571 VanDerWaalsContact CA-CE 3.48Å; E568-M571 HydrophobicContact CB-CE 4.31Å; E568-M571 HydrophobicContact CG-CE 3.93Å; E568-M571 PolarHBondContact O-N 2.95Å; E568-M571 WeakPolarHBondContact OE1-CE 3.3Å; E568-K572 WeakPolarHBondContact O-CB 3.36Å; E568-K572 VanDerWaalsContact O-CG 3.25Å; E568-K572 WeakPolarHBondContact O-CG 3.35Å; E568-K572 PolarHBondContact O-N 2.86Å
569	D	55.7	Low	53.8	Low	94 Å²	94	74.8 Å²	74.8	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-71.5	-31.4	176.5	-69.1	-19.2	0	0	0	111.6	D567 K572 T573	D567-D569 PolarHBondContact O-N 2.8Å; D569-K572 IonicContact OD1-NZ 3.03Å; D569-K572 PolarHBondContact OD1-NZ 2.88Å; D569-T573 WeakPolarHBondContact O-CB 3.3Å; D569-T573 PolarHBondContact O-N 3.49Å; D569-T573 PolarHBondContact O-OG1 2.86Å
570	T	54	Low	54.5	Low	66 Å²	66	72.3 Å²	72.3	41%	0.405	42%	0.42	S	S	.	.	H	α-helix	trans	-70	-39.2	172.6	-51	0	0	0	0	110.8	V566 D567 E568 T573 V574	V566-T570 HydrophobicContact CG1-CG2 3.72Å; D567-T570 CarbonylContact O-C 3.53Å; D567-T570 WeakPolarHBondContact O-CA 3.44Å; D567-T570 VanDerWaalsContact O-CB 3.28Å; D567-T570 WeakPolarHBondContact O-CB 3.4Å; D567-T570 PolarHBondContact O-N 3.16Å; E568-T570 VanDerWaalsContact C-N 3.32Å; T570-T573 PolarHBondContact O-N 3.44Å; T570-V574 HydrophobicContact CG2-CG2 4.24Å; T570-V574 WeakPolarHBondContact O-CB 3.36Å; T570-V574 WeakPolarHBondContact O-CG2 3.26Å; T570-V574 PolarHBondContact O-N 3.38Å
571	M	53.7	Low	55.8	Low	6 Å²	6	69.1 Å²	69.1	3%	0.03	40%	0.403	C	S	.	.	H	α-helix	trans	-67.1	-41.8	174.6	-71.8	179.8	-63	0	0	112.6	L561 L562 V566 D567 E568 T573 V574 L575	L561-M571 HydrophobicContact CB-CG 4.41Å; L561-M571 HydrophobicContact CB-SD 4.35Å; L562-M571 HydrophobicContact CB-SD 4.35Å; L562-M571 HydrophobicContact CD1-SD 4.4Å; L562-M571 HydrophobicContact CD2-CE 3.28Å; L562-M571 HydrophobicContact CD2-SD 3.41Å; L562-M571 WeakPolarHBondContact CD2-SD 3.49Å; L562-M571 HydrophobicContact CG-CE 4.03Å; L562-M571 HydrophobicContact CG-SD 3.41Å; L562-M571 WeakPolarHBondContact CG-SD 3.31Å; V566-M571 HydrophobicContact CB-CG 4.19Å; V566-M571 HydrophobicContact CB-SD 4.49Å; V566-M571 HydrophobicContact CG1-CG 3.82Å; V566-M571 WeakPolarHBondContact O-CE 3.17Å; D567-M571 PolarHBondContact O-N 3.45Å; E568-M571 VanDerWaalsContact CA-CE 3.48Å; E568-M571 HydrophobicContact CB-CE 4.31Å; E568-M571 HydrophobicContact CG-CE 3.93Å; E568-M571 PolarHBondContact O-N 2.95Å; E568-M571 WeakPolarHBondContact OE1-CE 3.3Å; M571-T573 PolarHBondContact O-N 3.42Å; M571-V574 PolarHBondContact O-N 2.8Å; M571-L575 HydrophobicContact CB-CD1 4.27Å; M571-L575 HydrophobicContact CG-CD1 4.36Å; M571-L575 WeakPolarHBondContact O-CA 3.48Å; M571-L575 WeakPolarHBondContact O-CB 3.47Å; M571-L575 PolarHBondContact O-N 2.88Å
572	K	53.3	Low	56.9	Low	82 Å²	82	67.6 Å²	67.6	36%	0.357	40%	0.395	S	S	.	.	H	α-helix	trans	-57.7	-39	171.6	-73.1	170.6	-156.8	156.5	0	111.8	E568 D569 G576	E568-K572 WeakPolarHBondContact O-CB 3.36Å; E568-K572 VanDerWaalsContact O-CG 3.25Å; E568-K572 WeakPolarHBondContact O-CG 3.35Å; E568-K572 PolarHBondContact O-N 2.86Å; D569-K572 IonicContact OD1-NZ 3.03Å; D569-K572 PolarHBondContact OD1-NZ 2.88Å; K572-G576 VanDerWaalsContact O-CA 3.25Å; K572-G576 WeakPolarHBondContact O-CA 2.95Å; K572-G576 PolarHBondContact O-N 2.8Å; K572-G576 VanDerWaalsContact O-N 3.13Å
573	T	49.2	Very low	57.7	Low	123 Å²	123	68.4 Å²	68.4	76%	0.755	40%	0.404	S	S	*	.	H	α-helix	trans	-73.8	-36.4	-179.5	-45	0	0	0	0	112.1	D569 T570 M571	D569-T573 WeakPolarHBondContact O-CB 3.3Å; D569-T573 PolarHBondContact O-N 3.49Å; D569-T573 PolarHBondContact O-OG1 2.86Å; T570-T573 PolarHBondContact O-N 3.44Å; M571-T573 PolarHBondContact O-N 3.42Å
574	V	38.8	Very low	58.6	Low	99 Å²	99	70.1 Å²	70.1	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-89.8	-38.2	-173.7	173.7	0	0	0	0	112.9	T570 M571	T570-V574 HydrophobicContact CG2-CG2 4.24Å; T570-V574 WeakPolarHBondContact O-CB 3.36Å; T570-V574 WeakPolarHBondContact O-CG2 3.26Å; T570-V574 PolarHBondContact O-N 3.38Å; M571-V574 PolarHBondContact O-N 2.8Å
575	L	43.1	Very low	59.7	Low	32 Å²	32	60.9 Å²	60.9	17%	0.168	36%	0.364	C	S	.	.	H	α-helix	trans	-105.2	-15.4	-174.1	-57.9	168.9	0	0	0	112.5	L557 E558 L561 M571 T577	L557-L575 HydrophobicContact CD2-CD2 3.41Å; L557-L575 VanDerWaalsContact CD2-CD2 3.41Å; L557-L575 HydrophobicContact CG-CD2 3.9Å; E558-L575 HydrophobicContact CB-CD1 4.21Å; E558-L575 HydrophobicContact CG-CD1 3.46Å; E558-L575 VanDerWaalsContact CG-CD1 3.46Å; L561-L575 HydrophobicContact CD1-CD1 3.52Å; L561-L575 HydrophobicContact CD1-CD2 3.76Å; L561-L575 HydrophobicContact CD1-CG 3.85Å; M571-L575 HydrophobicContact CB-CD1 4.27Å; M571-L575 HydrophobicContact CG-CD1 4.36Å; M571-L575 WeakPolarHBondContact O-CA 3.48Å; M571-L575 WeakPolarHBondContact O-CB 3.47Å; M571-L575 PolarHBondContact O-N 2.88Å; L575-T577 HydrophobicContact CB-CG2 3.61Å; L575-T577 PolarHBondContact O-N 2.79Å
576	G	41.8	Very low	61.1	Low	57 Å²	57	58.2 Å²	58.2	59%	0.588	33%	0.333	S	S	*	.			trans	65.2	16.3	-173.6	0	0	0	0	0	112.9	K572	K572-G576 VanDerWaalsContact O-CA 3.25Å; K572-G576 WeakPolarHBondContact O-CA 2.95Å; K572-G576 PolarHBondContact O-N 2.8Å; K572-G576 VanDerWaalsContact O-N 3.13Å
577	T	49.5	Very low	62.3	Low	30 Å²	30	57.2 Å²	57.2	18%	0.184	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-83.3	126.5	-170.5	55.3	0	0	0	0	110.1	I554 E558 L575	I554-T577 HydrophobicContact CG2-CG2 4.02Å; E558-T577 VanDerWaalsContact CD-CG2 3.47Å; E558-T577 HydrophobicContact CG-CG2 3.98Å; E558-T577 WeakPolarHBondContact OE1-CB 3.34Å; E558-T577 WeakPolarHBondContact OE1-CG2 3.4Å; E558-T577 PolarHBondContact OE1-OG1 3.06Å; L575-T577 HydrophobicContact CB-CG2 3.61Å; L575-T577 PolarHBondContact O-N 2.79Å
578	N	56.3	Low	63.5	Low	114 Å²	114	52.8 Å²	52.8	61%	0.61	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-68.3	143.1	176.5	-72.1	-61.9	0	0	0	108.4	S580	N578-S580 PolarHBondContact O-N 2.83Å
579	P	63.5	Low	64.7	Low	39 Å²	39	48.7 Å²	48.7	25%	0.253	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-55.1	143.6	173.6	25.3	-34.3	0	0	0	109.6
580	S	71.6	Confident	66.1	Low	52 Å²	52	45.6 Å²	45.6	36%	0.364	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-50.5	144.9	178.7	65.6	0	0	0	0	111	N578 L582 S583 R584	N578-S580 PolarHBondContact O-N 2.83Å; S580-L582 PolarHBondContact O-N 3.46Å; S580-S583 PolarHBondContact O-N 2.82Å; S580-S583 WeakPolarHBondContact OG-CB 3.47Å; S580-S583 PolarHBondContact OG-N 3.05Å; S580-R584 PolarHBondContact O-N 3Å
581	L	79.8	Confident	67.7	Low	3 Å²	3	42.8 Å²	42.8	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-55.7	-39.4	-177.9	-172.5	75.1	0	0	0	110.8	M323 L324 E327 M408 T585	M323-L581 HydrophobicContact CB-CD2 4.18Å; M323-L581 HydrophobicContact CE-CD2 3.66Å; L324-L581 HydrophobicContact CD2-CB 4.16Å; L324-L581 HydrophobicContact CD2-CD2 3.84Å; L324-L581 HydrophobicContact CD2-CG 3.88Å; L324-L581 HydrophobicContact CG-CD2 4Å; E327-L581 VanDerWaalsContact CD-N 3.31Å; E327-L581 WeakPolarHBondContact OE1-CB 3.48Å; E327-L581 PolarHBondContact OE1-N 2.77Å; E327-L581 WeakPolarHBondContact OE2-CA 3.31Å; E327-L581 WeakPolarHBondContact OE2-CB 3.25Å; E327-L581 PolarHBondContact OE2-N 2.78Å; M408-L581 HydrophobicContact CB-CD1 3.66Å; M408-L581 HydrophobicContact CE-CD1 3.42Å; M408-L581 VanDerWaalsContact CE-CD1 3.42Å; M408-L581 HydrophobicContact CE-CG 4.14Å; L581-T585 VanDerWaalsContact O-CB 3.31Å; L581-T585 WeakPolarHBondContact O-CB 3.21Å; L581-T585 PolarHBondContact O-N 2.86Å; L581-T585 PolarHBondContact O-OG1 3.15Å
582	L	81.5	Confident	69.1	Low	5 Å²	5	43.9 Å²	43.9	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-49.6	177.9	-177.9	69.1	0	0	0	111.3	L324 E327 A328 A342 S580 R584 T585 I586	L324-L582 HydrophobicContact CD2-CB 3.92Å; L324-L582 HydrophobicContact CD2-CD1 4.08Å; E327-L582 HydrophobicContact CB-CB 3.98Å; E327-L582 HydrophobicContact CB-CD2 4.33Å; E327-L582 WeakPolarHBondContact OE2-CB 3.47Å; E327-L582 PolarHBondContact OE2-N 2.77Å; A328-L582 HydrophobicContact CB-CD2 3.83Å; A342-L582 HydrophobicContact CB-CD2 4.03Å; S580-L582 PolarHBondContact O-N 3.46Å; L582-R584 VanDerWaalsContact C-N 3.29Å; L582-R584 PolarHBondContact O-N 3.05Å; L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.13Å; L582-I586 HydrophobicContact CD1-CD1 4.17Å; L582-I586 HydrophobicContact CD1-CG1 4.44Å; L582-I586 HydrophobicContact CG-CD1 3.91Å; L582-I586 WeakPolarHBondContact O-CB 3.37Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 3Å
583	S	77.6	Confident	70.5	Confident	59 Å²	59	41.5 Å²	41.5	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-44.6	177.7	177.3	0	0	0	0	110.9	S580 T585 I586 A587	S580-S583 PolarHBondContact O-N 2.82Å; S580-S583 WeakPolarHBondContact OG-CB 3.47Å; S580-S583 PolarHBondContact OG-N 3.05Å; S583-T585 PolarHBondContact O-N 3.12Å; S583-I586 PolarHBondContact O-N 3.13Å; S583-A587 WeakPolarHBondContact O-CB 3.4Å; S583-A587 PolarHBondContact O-N 2.99Å
584	R	78.9	Confident	72.3	Confident	113 Å²	113	35.8 Å²	35.8	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-40.1	175.9	-174.8	170	178.6	172	7.4	112.2	M408 S580 L582 A587 I588	M408-R584 HydrophobicContact CE-CB 3.64Å; M408-R584 HydrophobicContact CE-CG 3.48Å; M408-R584 VanDerWaalsContact CE-CG 3.48Å; M408-R584 HydrophobicContact SD-CG 3.86Å; S580-R584 PolarHBondContact O-N 3Å; L582-R584 VanDerWaalsContact C-N 3.29Å; L582-R584 PolarHBondContact O-N 3.05Å; R584-A587 PolarHBondContact O-N 2.89Å; R584-I588 HydrophobicContact CG-CD1 3.82Å; R584-I588 WeakPolarHBondContact O-CB 3.41Å; R584-I588 WeakPolarHBondContact O-CD1 3.17Å; R584-I588 WeakPolarHBondContact O-CG1 2.9Å; R584-I588 PolarHBondContact O-N 3.22Å
585	T	80.7	Confident	74.6	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-42.6	176.5	-57.9	0	0	0	0	111.5	L361 L405 L581 L582 S583 I588 S589	L361-T585 HydrophobicContact CD1-CG2 4.38Å; L405-T585 HydrophobicContact CD2-CG2 3.86Å; L405-T585 WeakPolarHBondContact CD2-OG1 3.35Å; L405-T585 HydrophobicContact CG-CG2 4.48Å; L581-T585 VanDerWaalsContact O-CB 3.31Å; L581-T585 WeakPolarHBondContact O-CB 3.21Å; L581-T585 PolarHBondContact O-N 2.86Å; L581-T585 PolarHBondContact O-OG1 3.15Å; L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.13Å; S583-T585 PolarHBondContact O-N 3.12Å; T585-I588 PolarHBondContact O-N 2.73Å; T585-S589 VanDerWaalsContact O-CB 3.26Å; T585-S589 WeakPolarHBondContact O-CB 3.45Å; T585-S589 PolarHBondContact O-N 3.14Å; T585-S589 PolarHBondContact O-OG 3.47Å
586	I	82.4	Confident	76.6	Confident	16 Å²	16	36.1 Å²	36.1	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-47.3	175.7	-69.6	168.2	0	0	0	110	A351 L353 L582 S583 I588 S589 R590	A351-I586 HydrophobicContact CB-CD1 4.15Å; A351-I586 HydrophobicContact CB-CG1 4.23Å; L353-I586 HydrophobicContact CD2-CG2 4.13Å; L582-I586 HydrophobicContact CD1-CD1 4.17Å; L582-I586 HydrophobicContact CD1-CG1 4.44Å; L582-I586 HydrophobicContact CG-CD1 3.91Å; L582-I586 WeakPolarHBondContact O-CB 3.37Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 3Å; S583-I586 PolarHBondContact O-N 3.13Å; I586-I588 PolarHBondContact O-N 3.35Å; I586-S589 PolarHBondContact O-N 2.84Å; I586-R590 HydrophobicContact CG2-CG 4.29Å; I586-R590 WeakPolarHBondContact O-CB 3.24Å; I586-R590 VanDerWaalsContact O-CG 3.3Å; I586-R590 WeakPolarHBondContact O-CG 3.37Å; I586-R590 PolarHBondContact O-N 2.92Å
587	A	81.1	Confident	78.7	Confident	21 Å²	21	35.6 Å²	35.6	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-45.9	178.2	0	0	0	0	0	112.4	S583 R584 H591 T624 P650	S583-A587 WeakPolarHBondContact O-CB 3.4Å; S583-A587 PolarHBondContact O-N 2.99Å; R584-A587 PolarHBondContact O-N 2.89Å; A587-H591 WeakPolarHBondContact O-CB 3.41Å; A587-H591 PolarHBondContact O-N 2.77Å; A587-T624 HydrophobicContact CB-CG2 4.41Å; A587-P650 HydrophobicContact CB-CB 4.1Å; A587-P650 HydrophobicContact CB-CG 4.43Å
588	I	84.1	Confident	80.6	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.6	-71.2	165.2	0	0	0	110.7	M408 R584 T585 I586 H591 H592 A623 T624	M408-I588 HydrophobicContact SD-CD1 3.59Å; M408-I588 VanDerWaalsContact SD-CD1 3.59Å; R584-I588 HydrophobicContact CG-CD1 3.82Å; R584-I588 WeakPolarHBondContact O-CB 3.41Å; R584-I588 WeakPolarHBondContact O-CD1 3.17Å; R584-I588 WeakPolarHBondContact O-CG1 2.9Å; R584-I588 PolarHBondContact O-N 3.22Å; T585-I588 PolarHBondContact O-N 2.73Å; I586-I588 PolarHBondContact O-N 3.35Å; I588-H591 PolarHBondContact O-N 2.96Å; I588-H592 VanDerWaalsContact O-CB 3.31Å; I588-H592 WeakPolarHBondContact O-CB 3.27Å; I588-H592 PolarHBondContact O-N 3.48Å; I588-A623 HydrophobicContact CD1-CB 4.31Å; I588-A623 HydrophobicContact CG1-CB 4.04Å; I588-T624 HydrophobicContact CG1-CG2 4.38Å
589	S	82.8	Confident	82.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-40.5	-177.8	-57	0	0	0	0	111.8	I359 T585 I586 H592 Y593	I359-S589 WeakPolarHBondContact CD1-OG 3.23Å; T585-S589 VanDerWaalsContact O-CB 3.26Å; T585-S589 WeakPolarHBondContact O-CB 3.45Å; T585-S589 PolarHBondContact O-N 3.14Å; T585-S589 PolarHBondContact O-OG 3.47Å; I586-S589 PolarHBondContact O-N 2.84Å; S589-H592 PolarHBondContact O-N 3.13Å; S589-Y593 WeakPolarHBondContact O-CB 3.29Å; S589-Y593 PolarHBondContact O-N 2.88Å
590	R	85.6	Confident	83.3	Confident	29 Å²	29	35.7 Å²	35.7	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-50.8	172.5	-79.3	178.7	165.5	167.7	-11	111.5	T338 S340 L353 F354 I586 H592 Y593 L594 P650	T338-R590 PolarHBondContact O-NH2 2.78Å; S340-R590 VanDerWaalsContact OG-CZ 3.26Å; S340-R590 PolarHBondContact OG-NH2 2.86Å; L353-R590 HydrophobicContact CB-CG 4.12Å; L353-R590 HydrophobicContact CD2-CG 4.09Å; L353-R590 VanDerWaalsContact O-CZ 3.32Å; L353-R590 PolarHBondContact O-NE 2.75Å; L353-R590 PolarHBondContact O-NH2 2.76Å; F354-R590 HydrophobicContact CD1-CG 4.49Å; F354-R590 HydrophobicContact CE1-CB 4.14Å; F354-R590 HydrophobicContact CE1-CG 3.78Å; F354-R590 HydrophobicContact CE2-CB 4.31Å; F354-R590 HydrophobicContact CE2-CG 4.21Å; F354-R590 HydrophobicContact CZ-CB 3.61Å; F354-R590 HydrophobicContact CZ-CG 3.62Å; I586-R590 HydrophobicContact CG2-CG 4.29Å; I586-R590 WeakPolarHBondContact O-CB 3.24Å; I586-R590 VanDerWaalsContact O-CG 3.3Å; I586-R590 WeakPolarHBondContact O-CG 3.37Å; I586-R590 PolarHBondContact O-N 2.92Å; R590-H592 PolarHBondContact O-N 2.82Å; R590-Y593 PolarHBondContact O-N 2.91Å; R590-L594 WeakPolarHBondContact O-CB 3.34Å; R590-L594 WeakPolarHBondContact O-CG 3.43Å; R590-L594 PolarHBondContact O-N 2.88Å; R590-P650 HydrophobicContact CB-CB 4.34Å
591	H	86.1	Confident	84.1	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-44.5	179	169.9	-98.8	0	0	0	111.6	A587 I588 L594 R595 A623 T624 T626 I648	A587-H591 WeakPolarHBondContact O-CB 3.41Å; A587-H591 PolarHBondContact O-N 2.77Å; I588-H591 PolarHBondContact O-N 2.96Å; H591-L594 PolarHBondContact O-N 3.35Å; H591-R595 VanDerWaalsContact O-CB 3.25Å; H591-R595 WeakPolarHBondContact O-CB 3.42Å; H591-R595 PolarHBondContact O-N 3.1Å; H591-A623 PolarHBondContact ND1-O 3.38Å; H591-T624 PolarHBondContact CD2-O 3.48Å; H591-T626 WeakPolarHBondContact CE1-CG2 3.42Å; H591-T626 WeakPolarHBondContact NE2-CG2 3.33Å; H591-T626 PolarHBondContact NE2-N 3Å; H591-T626 VanDerWaalsContact NE2-N 3.16Å; H591-T626 PolarHBondContact NE2-OG1 2.8Å; H591-I648 PolarHBondContact CD2-O 3.21Å
592	H	83	Confident	84.5	Confident	28 Å²	28	34.1 Å²	34.1	13%	0.13	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-44.3	179.7	-162.4	56.4	0	0	0	112.4	Y397 I588 S589 R590 R595 D596	Y397-H592 AromaticContact CD1-CD2 3.67Å; Y397-H592 AromaticContact CD1-NE2 3.44Å; Y397-H592 WeakPolarHBondContact CD1-NE2 3.44Å; I588-H592 VanDerWaalsContact O-CB 3.31Å; I588-H592 WeakPolarHBondContact O-CB 3.27Å; I588-H592 PolarHBondContact O-N 3.48Å; S589-H592 PolarHBondContact O-N 3.13Å; R590-H592 PolarHBondContact O-N 2.82Å; H592-R595 PolarHBondContact O-N 2.76Å; H592-D596 PolarHBondContact O-N 3.46Å
593	Y	84.2	Confident	84.9	Confident	32 Å²	32	35.6 Å²	35.6	13%	0.125	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-48.8	174.9	179.3	-88.3	0	0	0	111.5	F270 E272 F354 V357 S589 R590 R595 D596 Q597	F270-Y593 HydrophobicContact CD1-CD2 4.23Å; E272-Y593 PolarHBondContact OE1-OH 2.82Å; F354-Y593 AromaticContact CD2-CD1 3.74Å; F354-Y593 HydrophobicContact CD2-CD1 3.74Å; F354-Y593 AromaticContact CD2-CE1 3.99Å; F354-Y593 HydrophobicContact CD2-CE1 3.99Å; F354-Y593 AromaticContact CE2-CD1 3.46Å; F354-Y593 HydrophobicContact CE2-CD1 3.46Å; F354-Y593 VanDerWaalsContact CE2-CD1 3.46Å; F354-Y593 HydrophobicContact CE2-CE1 4.15Å; F354-Y593 HydrophobicContact CE2-CG 4.15Å; V357-Y593 HydrophobicContact CG1-CD2 4.14Å; V357-Y593 HydrophobicContact CG1-CE2 3.84Å; V357-Y593 HydrophobicContact CG2-CE1 4.28Å; V357-Y593 HydrophobicContact CG2-CE2 4.33Å; S589-Y593 WeakPolarHBondContact O-CB 3.29Å; S589-Y593 PolarHBondContact O-N 2.88Å; R590-Y593 PolarHBondContact O-N 2.91Å; Y593-R595 VanDerWaalsContact C-N 3.32Å; Y593-R595 PolarHBondContact O-N 3.39Å; Y593-D596 PolarHBondContact O-N 3.4Å; Y593-Q597 HydrophobicContact CD1-CG 4.1Å; Y593-Q597 HydrophobicContact CE1-CG 3.75Å; Y593-Q597 WeakPolarHBondContact O-CG 3.33Å; Y593-Q597 PolarHBondContact O-N 2.79Å
594	L	85.9	Confident	85.4	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-40.3	177.9	-73.5	173.7	0	0	0	112.1	F354 R590 H591 D596 Q597 V598 I648	F354-L594 HydrophobicContact CE1-CD1 4.31Å; F354-L594 HydrophobicContact CE2-CD2 4.31Å; F354-L594 HydrophobicContact CE2-CG 4.05Å; F354-L594 HydrophobicContact CZ-CD1 3.73Å; F354-L594 HydrophobicContact CZ-CD2 4.05Å; F354-L594 HydrophobicContact CZ-CG 3.6Å; R590-L594 WeakPolarHBondContact O-CB 3.34Å; R590-L594 WeakPolarHBondContact O-CG 3.43Å; R590-L594 PolarHBondContact O-N 2.88Å; H591-L594 PolarHBondContact O-N 3.35Å; L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 2.75Å; L594-Q597 PolarHBondContact O-N 2.79Å; L594-V598 WeakPolarHBondContact O-CB 3.47Å; L594-V598 WeakPolarHBondContact O-CG2 3.41Å; L594-V598 PolarHBondContact O-N 2.9Å; L594-I648 HydrophobicContact CB-CG2 3.87Å
595	R	87.1	Confident	85.7	Confident	95 Å²	95	32.7 Å²	32.7	36%	0.358	16%	0.16	S	C	.	.	H	α-helix	trans	-60.8	-43.4	177.3	178.9	-169.5	171.3	-158.9	-10.2	111.7	H591 H592 Y593 V598 Y599 W617 I648	H591-R595 VanDerWaalsContact O-CB 3.25Å; H591-R595 WeakPolarHBondContact O-CB 3.42Å; H591-R595 PolarHBondContact O-N 3.1Å; H592-R595 PolarHBondContact O-N 2.76Å; Y593-R595 VanDerWaalsContact C-N 3.32Å; Y593-R595 PolarHBondContact O-N 3.39Å; R595-V598 PolarHBondContact O-N 2.83Å; R595-Y599 WeakPolarHBondContact O-CB 3.45Å; R595-Y599 PolarHBondContact O-N 3.37Å; R595-W617 HydrophobicContact CG-CH2 4.01Å; R595-W617 HydrophobicContact CG-CZ3 3.84Å; R595-I648 HydrophobicContact CB-CD1 4.29Å; R595-I648 HydrophobicContact CG-CD1 4.27Å
596	D	84.6	Confident	85.9	Confident	43 Å²	43	35.2 Å²	35.2	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-44.8	178.7	-172.3	74.2	0	0	0	111.8	Y397 H592 Y593 L594 V598 Y599 S600	Y397-D596 HydrophobicContact CE1-CB 4.03Å; Y397-D596 WeakPolarHBondContact CE1-OD1 3.26Å; Y397-D596 PolarHBondContact OH-OD1 2.95Å; Y397-D596 PolarHBondContact OH-OD2 3.35Å; H592-D596 PolarHBondContact O-N 3.46Å; Y593-D596 PolarHBondContact O-N 3.4Å; L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 2.75Å; D596-V598 PolarHBondContact O-N 2.88Å; D596-Y599 WeakPolarHBondContact O-CB 3.35Å; D596-Y599 PolarHBondContact O-N 2.91Å; D596-S600 PolarHBondContact O-N 3.4Å
597	Q	86.6	Confident	86	Confident	46 Å²	46	41.7 Å²	41.7	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-45.8	174	-68.3	-63.6	-22.5	0	0	111.8	Y593 L594 Y599 S600 I601 L670	Y593-Q597 HydrophobicContact CD1-CG 4.1Å; Y593-Q597 HydrophobicContact CE1-CG 3.75Å; Y593-Q597 WeakPolarHBondContact O-CG 3.33Å; Y593-Q597 PolarHBondContact O-N 2.79Å; L594-Q597 PolarHBondContact O-N 2.79Å; Q597-Y599 VanDerWaalsContact C-N 3.32Å; Q597-Y599 PolarHBondContact O-N 3.46Å; Q597-S600 WeakPolarHBondContact O-CB 3.49Å; Q597-S600 PolarHBondContact O-N 2.91Å; Q597-I601 VanDerWaalsContact O-CG1 3.25Å; Q597-I601 WeakPolarHBondContact O-CG1 3.37Å; Q597-I601 PolarHBondContact O-N 3.1Å; Q597-L670 HydrophobicContact CB-CD1 3.83Å; Q597-L670 HydrophobicContact CB-CD2 4.06Å; Q597-L670 HydrophobicContact CG-CD1 4.03Å
598	V	88.7	Confident	85.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-40.2	176	171.4	0	0	0	0	111.5	L594 R595 D596 I601 I602 I648 L653 L673	L594-V598 WeakPolarHBondContact O-CB 3.47Å; L594-V598 WeakPolarHBondContact O-CG2 3.41Å; L594-V598 PolarHBondContact O-N 2.9Å; R595-V598 PolarHBondContact O-N 2.83Å; D596-V598 PolarHBondContact O-N 2.88Å; V598-I601 PolarHBondContact O-N 3.43Å; V598-I602 HydrophobicContact CG1-CD1 3.59Å; V598-I602 HydrophobicContact CG1-CG1 4.32Å; V598-I602 WeakPolarHBondContact O-CB 3.45Å; V598-I602 WeakPolarHBondContact O-CD1 3.49Å; V598-I602 VanDerWaalsContact O-CG1 3.24Å; V598-I602 WeakPolarHBondContact O-CG1 3.21Å; V598-I602 PolarHBondContact O-N 3.18Å; V598-I648 HydrophobicContact CB-CD1 4.2Å; V598-I648 HydrophobicContact CG1-CD1 4.07Å; V598-I648 HydrophobicContact CG2-CD1 4.42Å; V598-I648 HydrophobicContact CG2-CG1 4.32Å; V598-L653 HydrophobicContact CG2-CD1 4.14Å; V598-L653 HydrophobicContact CG2-CD2 3.57Å; V598-L673 HydrophobicContact CB-CD2 4.45Å; V598-L673 HydrophobicContact CG1-CD2 4.23Å; V598-L673 HydrophobicContact CG2-CD2 3.79Å
599	Y	88.5	Confident	85.5	Confident	123 Å²	123	46.5 Å²	46.5	48%	0.482	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-45.6	174.8	173.8	-95.3	0	0	0	111.6	R595 D596 Q597 I601 I602 S603 W617	R595-Y599 WeakPolarHBondContact O-CB 3.45Å; R595-Y599 PolarHBondContact O-N 3.37Å; D596-Y599 WeakPolarHBondContact O-CB 3.35Å; D596-Y599 PolarHBondContact O-N 2.91Å; Q597-Y599 VanDerWaalsContact C-N 3.32Å; Q597-Y599 PolarHBondContact O-N 3.46Å; Y599-I601 VanDerWaalsContact C-N 3.34Å; Y599-I601 PolarHBondContact O-N 2.89Å; Y599-I602 PolarHBondContact O-N 3.44Å; Y599-S603 VanDerWaalsContact O-CB 3.29Å; Y599-S603 WeakPolarHBondContact O-CB 3.47Å; Y599-S603 PolarHBondContact O-N 3.27Å; Y599-W617 AromaticContact CD2-CZ2 4Å; Y599-W617 HydrophobicContact CD2-CZ2 4Å
600	S	88.1	Confident	85.2	Confident	61 Å²	61	50 Å²	50	43%	0.427	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-46	175.6	-174.6	0	0	0	0	111.4	D596 Q597 S603 E604	D596-S600 PolarHBondContact O-N 3.4Å; Q597-S600 WeakPolarHBondContact O-CB 3.49Å; Q597-S600 PolarHBondContact O-N 2.91Å; S600-S603 WeakPolarHBondContact O-CB 3.46Å; S600-S603 PolarHBondContact O-N 3.41Å; S600-E604 WeakPolarHBondContact O-CB 3.19Å; S600-E604 PolarHBondContact O-N 3.46Å
601	I	88.2	Confident	85.1	Confident	9 Å²	9	49 Å²	49	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.2	-65.7	170.1	0	0	0	111.9	Q597 V598 Y599 S603 E604 L605 L670 L673 K674 L677	Q597-I601 VanDerWaalsContact O-CG1 3.25Å; Q597-I601 WeakPolarHBondContact O-CG1 3.37Å; Q597-I601 PolarHBondContact O-N 3.1Å; V598-I601 PolarHBondContact O-N 3.43Å; Y599-I601 VanDerWaalsContact C-N 3.34Å; Y599-I601 PolarHBondContact O-N 2.89Å; I601-S603 VanDerWaalsContact C-N 3.31Å; I601-S603 PolarHBondContact O-N 3.01Å; I601-E604 PolarHBondContact O-N 3.01Å; I601-L605 VanDerWaalsContact O-CB 3.29Å; I601-L605 WeakPolarHBondContact O-CB 3.36Å; I601-L605 PolarHBondContact O-N 3.25Å; I601-L670 HydrophobicContact CD1-CB 4.06Å; I601-L670 HydrophobicContact CD1-CD2 3.99Å; I601-L670 HydrophobicContact CD1-CG 4.49Å; I601-L673 HydrophobicContact CD1-CD2 4.3Å; I601-K674 HydrophobicContact CD1-CG 4.27Å; I601-K674 HydrophobicContact CG1-CG 4.36Å; I601-K674 HydrophobicContact CG2-CG 3.76Å; I601-L677 HydrophobicContact CG2-CD1 3.86Å
602	I	89.3	Confident	85.1	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-39.3	177.7	-68	162.5	0	0	0	110.3	V598 Y599 L605 S606 A615 L630	V598-I602 HydrophobicContact CG1-CD1 3.59Å; V598-I602 HydrophobicContact CG1-CG1 4.32Å; V598-I602 WeakPolarHBondContact O-CB 3.45Å; V598-I602 WeakPolarHBondContact O-CD1 3.49Å; V598-I602 VanDerWaalsContact O-CG1 3.24Å; V598-I602 WeakPolarHBondContact O-CG1 3.21Å; V598-I602 PolarHBondContact O-N 3.18Å; Y599-I602 PolarHBondContact O-N 3.44Å; I602-L605 PolarHBondContact O-N 2.5Å; I602-S606 WeakPolarHBondContact O-CB 3.24Å; I602-S606 PolarHBondContact O-N 3.36Å; I602-A615 HydrophobicContact CG2-CB 4.19Å; I602-L630 HydrophobicContact CD1-CD2 4.05Å; I602-L630 HydrophobicContact CG1-CD2 4.38Å; I602-L630 HydrophobicContact CG2-CD2 4.16Å
603	S	88.9	Confident	85.3	Confident	36 Å²	36	53.8 Å²	53.8	25%	0.252	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-48.8	177.2	-178.5	0	0	0	0	111.3	Y599 S600 I601 L605 S606 Q607	Y599-S603 VanDerWaalsContact O-CB 3.29Å; Y599-S603 WeakPolarHBondContact O-CB 3.47Å; Y599-S603 PolarHBondContact O-N 3.27Å; S600-S603 WeakPolarHBondContact O-CB 3.46Å; S600-S603 PolarHBondContact O-N 3.41Å; I601-S603 VanDerWaalsContact C-N 3.31Å; I601-S603 PolarHBondContact O-N 3.01Å; S603-L605 VanDerWaalsContact C-N 3.35Å; S603-L605 PolarHBondContact O-N 2.89Å; S603-S606 PolarHBondContact O-N 3.48Å; S603-S606 PolarHBondContact O-OG 2.86Å; S603-Q607 WeakPolarHBondContact O-CG 3.42Å; S603-Q607 PolarHBondContact O-N 3.26Å
604	E	88.2	Confident	85.5	Confident	94 Å²	94	55.5 Å²	55.5	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-55.8	-49.1	174.4	-174.5	-175.4	-171.6	0	0	110.8	S600 I601 S606 Q607 C608 K674	S600-E604 WeakPolarHBondContact O-CB 3.19Å; S600-E604 PolarHBondContact O-N 3.46Å; I601-E604 PolarHBondContact O-N 3.01Å; E604-S606 VanDerWaalsContact C-N 3.33Å; E604-S606 PolarHBondContact O-N 3.49Å; E604-Q607 PolarHBondContact O-N 3.46Å; E604-C608 PolarHBondContact O-N 3.31Å; E604-C608 VanDerWaalsContact O-N 3.08Å; E604-K674 IonicContact OE1-NZ 3.59Å; E604-K674 IonicContact OE2-NZ 3.55Å; E604-K674 PolarHBondContact OE2-NZ 3.36Å
605	L	85.8	Confident	85.7	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-38.9	177.9	-173.4	70.6	0	0	0	112.3	I601 I602 S603 Q607 C608 S609 I613 L677 N678 V681	I601-L605 VanDerWaalsContact O-CB 3.29Å; I601-L605 WeakPolarHBondContact O-CB 3.36Å; I601-L605 PolarHBondContact O-N 3.25Å; I602-L605 PolarHBondContact O-N 2.5Å; S603-L605 VanDerWaalsContact C-N 3.35Å; S603-L605 PolarHBondContact O-N 2.89Å; L605-Q607 PolarHBondContact O-N 2.84Å; L605-C608 PolarHBondContact O-N 2.87Å; L605-S609 WeakPolarHBondContact O-CB 3.37Å; L605-S609 PolarHBondContact O-N 3.18Å; L605-S609 PolarHBondContact O-OG 3.43Å; L605-I613 HydrophobicContact CB-CD1 4.45Å; L605-I613 HydrophobicContact CD2-CD1 3.57Å; L605-I613 HydrophobicContact CG-CD1 3.63Å; L605-L677 HydrophobicContact CD2-CB 3.62Å; L605-L677 HydrophobicContact CD2-CD1 4.11Å; L605-L677 HydrophobicContact CD2-CG 4.31Å; L605-N678 VanDerWaalsContact CD1-OD1 3.29Å; L605-N678 WeakPolarHBondContact CD1-OD1 3.09Å; L605-V681 HydrophobicContact CD1-CG2 4.49Å; L605-V681 HydrophobicContact CD2-CG2 4.47Å
606	S	85.4	Confident	85.9	Confident	59 Å²	59	58.6 Å²	58.6	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-27.6	178.4	77.5	0	0	0	0	113.1	I602 S603 E604	I602-S606 WeakPolarHBondContact O-CB 3.24Å; I602-S606 PolarHBondContact O-N 3.36Å; S603-S606 PolarHBondContact O-N 3.48Å; S603-S606 PolarHBondContact O-OG 2.86Å; E604-S606 VanDerWaalsContact C-N 3.33Å; E604-S606 PolarHBondContact O-N 3.49Å
607	Q	83.9	Confident	86	Confident	151 Å²	151	59.8 Å²	59.8	71%	0.706	32%	0.316	S	S	*	.	H	α-helix	trans	-82.5	-37.2	177.6	-68	175.7	16.5	0	0	112.1	S603 E604 L605	S603-Q607 WeakPolarHBondContact O-CG 3.42Å; S603-Q607 PolarHBondContact O-N 3.26Å; E604-Q607 PolarHBondContact O-N 3.46Å; L605-Q607 PolarHBondContact O-N 2.84Å
608	C	78.2	Confident	85.9	Confident	105 Å²	105	59.8 Å²	59.8	71%	0.709	32%	0.318	S	S	*	.	H	α-helix	trans	-91	-19.7	-174.8	-64.6	0	0	0	0	114.2	E604 L605	E604-C608 PolarHBondContact O-N 3.31Å; E604-C608 VanDerWaalsContact O-N 3.08Å; L605-C608 PolarHBondContact O-N 2.87Å
609	S	76.5	Confident	85.2	Confident	22 Å²	22	65.6 Å²	65.6	15%	0.154	35%	0.353	C	S	.	.			trans	-81.5	144	-170	59.3	0	0	0	0	113.8	L605 I611 I613	L605-S609 WeakPolarHBondContact O-CB 3.37Å; L605-S609 PolarHBondContact O-N 3.18Å; L605-S609 PolarHBondContact O-OG 3.43Å; S609-I611 PolarHBondContact O-N 3.11Å; S609-I611 PolarHBondContact OG-O 3.4Å; S609-I613 WeakPolarHBondContact OG-CD1 3.13Å
610	P	76.5	Confident	84.3	Confident	75 Å²	75	68.1 Å²	68.1	49%	0.487	37%	0.367	S	S	.	.	S	Bend	trans	-74.9	1.7	174.9	30.7	-36.9	0	0	0	114	V681	P610-V681 HydrophobicContact CG-CG1 4.42Å
611	I	83	Confident	83.8	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.363	C	S	.	.	S	Bend	trans	-119.6	147.1	-176.6	-56.4	177.6	0	0	0	107.7	S609 F632 Y633 V681 T684 Q685	S609-I611 PolarHBondContact O-N 3.11Å; S609-I611 PolarHBondContact OG-O 3.4Å; I611-F632 HydrophobicContact CG2-CB 4.2Å; I611-Y633 WeakPolarHBondContact CG2-O 3.39Å; I611-V681 HydrophobicContact CD1-CB 4.08Å; I611-V681 HydrophobicContact CD1-CG1 3.46Å; I611-V681 VanDerWaalsContact CD1-CG1 3.46Å; I611-V681 WeakPolarHBondContact CD1-O 3.25Å; I611-V681 HydrophobicContact CG1-CG1 3.99Å; I611-T684 HydrophobicContact CD1-CG2 4.22Å; I611-Q685 HydrophobicContact CD1-CG 3.45Å; I611-Q685 VanDerWaalsContact CD1-CG 3.45Å; I611-Q685 HydrophobicContact CG1-CG 3.82Å
612	K	85.6	Confident	83.2	Confident	110 Å²	110	70.9 Å²	70.9	48%	0.478	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.8	170	-73.7	-175.5	175.7	169.8	0	110.2	Y633 T635	K612-Y633 HydrophobicContact CB-CD1 4.11Å; K612-Y633 HydrophobicContact CB-CD2 4.27Å; K612-Y633 HydrophobicContact CB-CE1 3.52Å; K612-Y633 HydrophobicContact CB-CE2 3.74Å; K612-Y633 HydrophobicContact CB-CG 4.44Å; K612-Y633 HydrophobicContact CD-CE2 3.74Å; K612-Y633 VanDerWaalsContact CD-OH 3.29Å; K612-Y633 WeakPolarHBondContact CD-OH 3.45Å; K612-Y633 HydrophobicContact CG-CE2 4.33Å; K612-Y633 PolarHBondContact N-O 3.09Å; K612-Y633 WeakPolarHBondContact O-CD1 3.28Å; K612-Y633 PolarHBondContact O-N 2.79Å; K612-T635 HydrophobicContact CD-CG2 3.64Å; K612-T635 HydrophobicContact CG-CG2 3.71Å
613	I	88.8	Confident	82.6	Confident	27 Å²	27	72.2 Å²	72.2	14%	0.138	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.3	177.3	-53	178.4	0	0	0	108	L605 S609 L630 C631 F632 V681	L605-I613 HydrophobicContact CB-CD1 4.45Å; L605-I613 HydrophobicContact CD2-CD1 3.57Å; L605-I613 HydrophobicContact CG-CD1 3.63Å; S609-I613 WeakPolarHBondContact OG-CD1 3.13Å; I613-L630 HydrophobicContact CG2-CD2 4.45Å; I613-C631 WeakPolarHBondContact CA-O 3.33Å; I613-F632 HydrophobicContact CD1-CD1 4.01Å; I613-F632 HydrophobicContact CD1-CE1 3.76Å; I613-F632 HydrophobicContact CG1-CD1 3.75Å; I613-F632 HydrophobicContact CG1-CE1 3.96Å; I613-F632 HydrophobicContact CG2-CD1 4.38Å; I613-F632 HydrophobicContact CG2-CE1 4.17Å; I613-V681 HydrophobicContact CD1-CG2 4.42Å
614	I	88.4	Confident	82.1	Confident	69 Å²	69	72.9 Å²	72.9	35%	0.354	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.5	169.9	-69	162.1	0	0	0	108	L630 C631 Y633	I614-L630 WeakPolarHBondContact O-CA 3.36Å; I614-C631 HydrophobicContact CB-CB 4.22Å; I614-C631 PolarHBondContact N-O 2.96Å; I614-C631 PolarHBondContact O-N 2.85Å; I614-Y633 HydrophobicContact CD1-CD1 4.28Å; I614-Y633 HydrophobicContact CD1-CE1 3.34Å; I614-Y633 HydrophobicContact CG1-CE1 3.74Å
615	A	90.1	Very high	81.9	Confident	38 Å²	38	73.1 Å²	73.1	31%	0.314	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.6	174.1	0	0	0	0	0	110.5	I602 V628 L630	I602-A615 HydrophobicContact CG2-CB 4.19Å; A615-V628 HydrophobicContact CB-CG1 4.13Å; A615-L630 HydrophobicContact CB-CD2 3.66Å
616	H	89.8	Confident	82	Confident	126 Å²	126	72.4 Å²	72.4	58%	0.583	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	102	173.6	-119.7	-79.5	0	0	0	109.4	R629	H616-R629 HydrophobicContact CB-CB 4.35Å; H616-R629 PolarHBondContact N-O 3.12Å; H616-R629 PolarHBondContact O-N 3.22Å
617	W	87.7	Confident	82.2	Confident	67 Å²	67	70.6 Å²	70.6	25%	0.254	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.9	170.3	-64	85.8	0	0	0	108.8	R595 Y599 V628 I648	R595-W617 HydrophobicContact CG-CH2 4.01Å; R595-W617 HydrophobicContact CG-CZ3 3.84Å; Y599-W617 AromaticContact CD2-CZ2 4Å; Y599-W617 HydrophobicContact CD2-CZ2 4Å; W617-V628 HydrophobicContact CD2-CG1 4.47Å; W617-V628 HydrophobicContact CD2-CG2 3.56Å; W617-V628 HydrophobicContact CE3-CG2 3.18Å; W617-V628 HydrophobicContact CG-CG2 4.41Å; W617-V628 HydrophobicContact CH2-CG2 3.46Å; W617-V628 VanDerWaalsContact CH2-CG2 3.46Å; W617-V628 HydrophobicContact CZ2-CG2 3.83Å; W617-V628 HydrophobicContact CZ3-CG2 3.12Å; W617-I648 HydrophobicContact CH2-CD1 4.24Å; W617-I648 HydrophobicContact CZ3-CD1 4Å
618	D	83.6	Confident	82.5	Confident	46 Å²	46	63.4 Å²	63.4	25%	0.246	35%	0.349	C	S	.	.			trans	-65.9	153.9	179.9	-159.7	-15.6	0	0	0	110.5	F620 N621 S627	D618-F620 PolarHBondContact OD1-N 3.18Å; D618-N621 PolarHBondContact O-ND2 3.19Å; D618-S627 WeakPolarHBondContact CB-OG 3.46Å; D618-S627 PolarHBondContact N-O 2.81Å; D618-S627 PolarHBondContact OD2-OG 2.94Å
619	T	73.8	Confident	83.1	Confident	122 Å²	122	65.8 Å²	65.8	75%	0.748	34%	0.343	S	S	*	.	S	Bend	trans	-75.8	-27.5	174.5	54.2	0	0	0	0	112.1	N621	T619-N621 VanDerWaalsContact C-N 3.28Å; T619-N621 PolarHBondContact O-N 2.7Å; T619-N621 VanDerWaalsContact O-N 3.09Å
620	F	71.3	Confident	83.8	Confident	177 Å²	177	64.8 Å²	64.8	78%	0.776	34%	0.336	S	S	*	.			trans	-87.7	58.1	-178.8	-60.8	-74.9	0	0	0	112.3	D618	D618-F620 PolarHBondContact OD1-N 3.18Å
621	N	75.9	Confident	84.4	Confident	64 Å²	64	61.3 Å²	61.3	34%	0.342	31%	0.313	S	S	.	.			trans	-89.9	132.3	174.5	-66	-39.5	0	0	0	110.9	D618 T619 E625 T626 S627	D618-N621 PolarHBondContact O-ND2 3.19Å; T619-N621 VanDerWaalsContact C-N 3.28Å; T619-N621 PolarHBondContact O-N 2.7Å; T619-N621 VanDerWaalsContact O-N 3.09Å; N621-E625 CarbonylContact C-O 3.55Å; N621-T626 HydrophobicContact CB-CG2 3.73Å; N621-T626 VanDerWaalsContact OD1-CA 3.28Å; N621-T626 WeakPolarHBondContact OD1-CA 3.35Å; N621-S627 PolarHBondContact OD1-N 3.46Å
622	S	77.5	Confident	84.7	Confident	63 Å²	63	61 Å²	61	44%	0.441	31%	0.312	S	S	.	.			trans	-94.2	165.9	166.7	177	0	0	0	0	110.3	T624 E625	S622-T624 PolarHBondContact O-N 3.34Å; S622-T624 VanDerWaalsContact O-N 3.14Å; S622-T624 PolarHBondContact OG-N 2.73Å; S622-T624 PolarHBondContact OG-OG1 2.91Å; S622-E625 PolarHBondContact N-O 3.46Å; S622-E625 PolarHBondContact O-N 2.81Å; S622-E625 VanDerWaalsContact O-O 3.12Å
623	A	75	Confident	84.8	Confident	41 Å²	41	57.4 Å²	57.4	34%	0.339	30%	0.296	S	S	.	.	S	Bend	trans	-65	-9.1	169.5	0	0	0	0	0	113.3	I588 H591	I588-A623 HydrophobicContact CD1-CB 4.31Å; I588-A623 HydrophobicContact CG1-CB 4.04Å; H591-A623 PolarHBondContact ND1-O 3.38Å
624	T	79.8	Confident	84.5	Confident	50 Å²	50	56.3 Å²	56.3	31%	0.307	29%	0.29	S	S	.	.	S	Bend	trans	-124.3	-5.6	179.9	56.9	0	0	0	0	113.4	A587 I588 H591 S622 P650	A587-T624 HydrophobicContact CB-CG2 4.41Å; I588-T624 HydrophobicContact CG1-CG2 4.38Å; H591-T624 PolarHBondContact CD2-O 3.48Å; S622-T624 PolarHBondContact O-N 3.34Å; S622-T624 VanDerWaalsContact O-N 3.14Å; S622-T624 PolarHBondContact OG-N 2.73Å; S622-T624 PolarHBondContact OG-OG1 2.91Å; T624-P650 WeakPolarHBondContact O-CD 3.29Å
625	E	84.2	Confident	84	Confident	100 Å²	100	54.6 Å²	54.6	47%	0.467	28%	0.283	S	S	.	.			trans	-146.6	125.3	-178	-173	174	-178.3	0	0	109.8	N621 S622 T647 I648 T649	N621-E625 CarbonylContact C-O 3.55Å; S622-E625 PolarHBondContact N-O 3.46Å; S622-E625 PolarHBondContact O-N 2.81Å; S622-E625 VanDerWaalsContact O-O 3.12Å; E625-T647 HydrophobicContact CG-CG2 3.9Å; E625-T647 VanDerWaalsContact OE1-CG2 3.3Å; E625-T647 WeakPolarHBondContact OE1-CG2 3.48Å; E625-I648 WeakPolarHBondContact CA-O 3.25Å; E625-T649 HydrophobicContact CG-CG2 4.35Å
626	T	87.4	Confident	83.3	Confident	2 Å²	2	59 Å²	59	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.3	173.1	48.7	0	0	0	0	109.4	H591 N621 I648	H591-T626 WeakPolarHBondContact CE1-CG2 3.42Å; H591-T626 WeakPolarHBondContact NE2-CG2 3.33Å; H591-T626 PolarHBondContact NE2-N 3Å; H591-T626 VanDerWaalsContact NE2-N 3.16Å; H591-T626 PolarHBondContact NE2-OG1 2.8Å; N621-T626 HydrophobicContact CB-CG2 3.73Å; N621-T626 VanDerWaalsContact OD1-CA 3.28Å; N621-T626 WeakPolarHBondContact OD1-CA 3.35Å; T626-I648 PolarHBondContact N-O 3.28Å; T626-I648 PolarHBondContact O-N 2.85Å; T626-I648 WeakPolarHBondContact OG1-CD1 3.33Å
627	S	88.5	Confident	82.6	Confident	22 Å²	22	54.7 Å²	54.7	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.7	177.7	63.9	0	0	0	0	110.9	D618 N621 V646	D618-S627 WeakPolarHBondContact CB-OG 3.46Å; D618-S627 PolarHBondContact N-O 2.81Å; D618-S627 PolarHBondContact OD2-OG 2.94Å; N621-S627 PolarHBondContact OD1-N 3.46Å; S627-V646 CarbonylContact C-O 3.54Å; S627-V646 WeakPolarHBondContact CA-O 3Å
628	V	90.6	Very high	81.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.2	179	-172.1	0	0	0	0	108.7	A615 W617 L630 G645 V646	A615-V628 HydrophobicContact CB-CG1 4.13Å; W617-V628 HydrophobicContact CD2-CG1 4.47Å; W617-V628 HydrophobicContact CD2-CG2 3.56Å; W617-V628 HydrophobicContact CE3-CG2 3.18Å; W617-V628 HydrophobicContact CG-CG2 4.41Å; W617-V628 HydrophobicContact CH2-CG2 3.46Å; W617-V628 VanDerWaalsContact CH2-CG2 3.46Å; W617-V628 HydrophobicContact CZ2-CG2 3.83Å; W617-V628 HydrophobicContact CZ3-CG2 3.12Å; V628-L630 HydrophobicContact CG1-CD2 3.75Å; V628-L630 HydrophobicContact CG1-CG 4.28Å; V628-G645 CarbonylContact O-C 3.59Å; V628-G645 WeakPolarHBondContact O-CA 3.44Å; V628-V646 PolarHBondContact N-O 2.9Å; V628-V646 PolarHBondContact O-N 2.81Å
629	R	90.6	Very high	81.3	Confident	155 Å²	155	57.9 Å²	57.9	59%	0.585	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.6	169.4	-64.5	-177.1	-178.1	176	2.3	108.8	H616	H616-R629 HydrophobicContact CB-CB 4.35Å; H616-R629 PolarHBondContact N-O 3.12Å; H616-R629 PolarHBondContact O-N 3.22Å
630	L	91.2	Very high	81.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	175.5	-57.6	176.9	0	0	0	109.3	I602 I613 I614 A615 V628 F632 W643 L644 V646 L677	I602-L630 HydrophobicContact CD1-CD2 4.05Å; I602-L630 HydrophobicContact CG1-CD2 4.38Å; I602-L630 HydrophobicContact CG2-CD2 4.16Å; I613-L630 HydrophobicContact CG2-CD2 4.45Å; I614-L630 WeakPolarHBondContact O-CA 3.36Å; A615-L630 HydrophobicContact CB-CD2 3.66Å; V628-L630 HydrophobicContact CG1-CD2 3.75Å; V628-L630 HydrophobicContact CG1-CG 4.28Å; L630-F632 HydrophobicContact CB-CD2 4.49Å; L630-F632 HydrophobicContact CB-CE2 3.66Å; L630-F632 HydrophobicContact CB-CZ 3.96Å; L630-F632 HydrophobicContact CD1-CZ 4.13Å; L630-W643 WeakPolarHBondContact O-CA 3.45Å; L630-L644 HydrophobicContact CB-CB 4.35Å; L630-L644 WeakPolarHBondContact CB-O 3.27Å; L630-L644 HydrophobicContact CD1-CD2 4.47Å; L630-L644 PolarHBondContact N-O 3.39Å; L630-L644 PolarHBondContact O-N 2.76Å; L630-V646 HydrophobicContact CD1-CG2 4.06Å; L630-L677 HydrophobicContact CD1-CD2 3.55Å
631	C	90.2	Very high	81.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.3	174.3	-179.3	0	0	0	0	109.2	I613 I614 S642 W643	I613-C631 WeakPolarHBondContact CA-O 3.33Å; I614-C631 HydrophobicContact CB-CB 4.22Å; I614-C631 PolarHBondContact N-O 2.96Å; I614-C631 PolarHBondContact O-N 2.85Å; C631-S642 WeakPolarHBondContact CA-O 3.43Å; C631-W643 HydrophobicContact CB-CD2 4.31Å; C631-W643 HydrophobicContact CB-CE3 3.72Å; C631-W643 HydrophobicContact CB-CH2 3.82Å; C631-W643 HydrophobicContact CB-CZ2 4.38Å; C631-W643 HydrophobicContact CB-CZ3 3.47Å; C631-W643 VanDerWaalsContact CB-CZ3 3.47Å
632	F	89.4	Confident	82.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	177.4	-53.5	-101.3	0	0	0	109.6	I611 I613 L630 S642 L644 L677 Q680 V681 T684	I611-F632 HydrophobicContact CG2-CB 4.2Å; I613-F632 HydrophobicContact CD1-CD1 4.01Å; I613-F632 HydrophobicContact CD1-CE1 3.76Å; I613-F632 HydrophobicContact CG1-CD1 3.75Å; I613-F632 HydrophobicContact CG1-CE1 3.96Å; I613-F632 HydrophobicContact CG2-CD1 4.38Å; I613-F632 HydrophobicContact CG2-CE1 4.17Å; L630-F632 HydrophobicContact CB-CD2 4.49Å; L630-F632 HydrophobicContact CB-CE2 3.66Å; L630-F632 HydrophobicContact CB-CZ 3.96Å; L630-F632 HydrophobicContact CD1-CZ 4.13Å; F632-S642 WeakPolarHBondContact CB-OG 3.45Å; F632-S642 PolarHBondContact N-O 3.24Å; F632-S642 PolarHBondContact O-N 2.95Å; F632-S642 VanDerWaalsContact O-N 3.1Å; F632-L644 HydrophobicContact CE2-CB 3.81Å; F632-L644 HydrophobicContact CE2-CD2 4.43Å; F632-L677 HydrophobicContact CZ-CD2 4.27Å; F632-Q680 HydrophobicContact CD2-CG 3.89Å; F632-Q680 HydrophobicContact CE1-CG 4.34Å; F632-Q680 HydrophobicContact CE2-CG 3.56Å; F632-Q680 HydrophobicContact CG-CG 4.43Å; F632-Q680 HydrophobicContact CZ-CB 4.35Å; F632-Q680 HydrophobicContact CZ-CG 3.82Å; F632-V681 HydrophobicContact CD1-CG2 4.04Å; F632-V681 HydrophobicContact CE1-CG2 3.95Å; F632-T684 HydrophobicContact CB-CG2 3.94Å
633	Y	87.2	Confident	82.8	Confident	35 Å²	35	54.9 Å²	54.9	14%	0.137	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.1	175	67.8	-75.8	0	0	0	113.6	I611 K612 I614 D638 Y688	I611-Y633 WeakPolarHBondContact CG2-O 3.39Å; K612-Y633 HydrophobicContact CB-CD1 4.11Å; K612-Y633 HydrophobicContact CB-CD2 4.27Å; K612-Y633 HydrophobicContact CB-CE1 3.52Å; K612-Y633 HydrophobicContact CB-CE2 3.74Å; K612-Y633 HydrophobicContact CB-CG 4.44Å; K612-Y633 HydrophobicContact CD-CE2 3.74Å; K612-Y633 VanDerWaalsContact CD-OH 3.29Å; K612-Y633 WeakPolarHBondContact CD-OH 3.45Å; K612-Y633 HydrophobicContact CG-CE2 4.33Å; K612-Y633 PolarHBondContact N-O 3.09Å; K612-Y633 WeakPolarHBondContact O-CD1 3.28Å; K612-Y633 PolarHBondContact O-N 2.79Å; I614-Y633 HydrophobicContact CD1-CD1 4.28Å; I614-Y633 HydrophobicContact CD1-CE1 3.34Å; I614-Y633 HydrophobicContact CG1-CE1 3.74Å; Y633-D638 WeakPolarHBondContact CD2-OD1 3.11Å; Y633-Y688 WeakPolarHBondContact CA-OH 3.36Å; Y633-Y688 VanDerWaalsContact CB-OH 3.25Å; Y633-Y688 WeakPolarHBondContact CB-OH 3.41Å
634	C	83.3	Confident	83.5	Confident	3 Å²	3	53 Å²	53	2%	0.02	26%	0.258	C	S	.	.			trans	-80.1	136.2	178.8	-72.8	0	0	0	0	110.4	D636 Y637 Y688	C634-D636 PolarHBondContact O-N 2.86Å; C634-Y637 HydrophobicContact CB-CD2 4.23Å; C634-Y637 PolarHBondContact O-N 3.09Å; C634-Y637 VanDerWaalsContact O-N 3.11Å; C634-Y688 HydrophobicContact CB-CD2 4.04Å; C634-Y688 HydrophobicContact CB-CE2 3.91Å; C634-Y688 HydrophobicContact CB-CG 4.45Å; C634-Y688 PolarHBondContact N-OH 3.42Å; C634-Y688 WeakPolarHBondContact SG-CD2 3.36Å
635	T	76.7	Confident	83.9	Confident	34 Å²	34	51.3 Å²	51.3	21%	0.209	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	134.6	173.3	53.3	0	0	0	0	110.2	K612 Y637	K612-T635 HydrophobicContact CD-CG2 3.64Å; K612-T635 HydrophobicContact CG-CG2 3.71Å; T635-Y637 VanDerWaalsContact C-N 3.26Å; T635-Y637 WeakPolarHBondContact O-CD2 3.38Å; T635-Y637 PolarHBondContact O-N 3.4Å
636	D	75.8	Confident	84.2	Confident	129 Å²	129	46.6 Å²	46.6	69%	0.69	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-1.4	-178.1	-44.2	-43.2	0	0	0	115.1	C634	C634-D636 PolarHBondContact O-N 2.86Å
637	Y	74.4	Confident	84.3	Confident	37 Å²	37	47.4 Å²	47.4	15%	0.145	23%	0.233	C	C	.	.			trans	-129.5	62.1	176.6	-53.4	-86.7	0	0	0	112.2	C634 T635 A639 Y688 L692 V786 E790	C634-Y637 HydrophobicContact CB-CD2 4.23Å; C634-Y637 PolarHBondContact O-N 3.09Å; C634-Y637 VanDerWaalsContact O-N 3.11Å; T635-Y637 VanDerWaalsContact C-N 3.26Å; T635-Y637 WeakPolarHBondContact O-CD2 3.38Å; T635-Y637 PolarHBondContact O-N 3.4Å; Y637-A639 PolarHBondContact O-N 2.7Å; Y637-Y688 WeakPolarHBondContact O-CE1 3.44Å; Y637-Y688 PolarHBondContact O-OH 2.83Å; Y637-L692 HydrophobicContact CD1-CD1 4.08Å; Y637-L692 HydrophobicContact CE1-CD1 3.41Å; Y637-L692 VanDerWaalsContact CE1-CD1 3.41Å; Y637-V786 HydrophobicContact CD2-CG1 4.05Å; Y637-V786 HydrophobicContact CE2-CB 4.12Å; Y637-V786 HydrophobicContact CE2-CG1 3.69Å; Y637-E790 PolarHBondContact OH-OE2 2.81Å
638	D	70.9	Confident	84.4	Confident	91 Å²	91	46.4 Å²	46.4	49%	0.487	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.3	-173.5	-74.8	-11	0	0	0	115.2	Y633 Y640	Y633-D638 WeakPolarHBondContact CD2-OD1 3.11Å; D638-Y640 VanDerWaalsContact C-N 3.33Å; D638-Y640 PolarHBondContact O-N 2.73Å
639	A	73.8	Confident	84.2	Confident	89 Å²	89	47.9 Å²	47.9	74%	0.736	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.9	-170.5	0	0	0	0	0	114.1	Y637	Y637-A639 PolarHBondContact O-N 2.7Å
640	Y	74.8	Confident	83.7	Confident	92 Å²	92	41.6 Å²	41.6	36%	0.361	21%	0.214	S	C	.	.			trans	-113.6	150.4	175.3	-63.6	-87.9	0	0	0	108.7	D638 Y688 I691 K695	D638-Y640 VanDerWaalsContact C-N 3.33Å; D638-Y640 PolarHBondContact O-N 2.73Å; Y640-Y688 PolarHBondContact O-OH 3.18Å; Y640-I691 HydrophobicContact CD1-CD1 3.54Å; Y640-I691 HydrophobicContact CD2-CD1 3.87Å; Y640-I691 HydrophobicContact CD2-CG2 3.73Å; Y640-I691 HydrophobicContact CE1-CD1 3.79Å; Y640-I691 HydrophobicContact CE1-CG2 4.28Å; Y640-I691 HydrophobicContact CE2-CB 4.41Å; Y640-I691 HydrophobicContact CE2-CD1 4.14Å; Y640-I691 HydrophobicContact CE2-CG2 3.19Å; Y640-I691 HydrophobicContact CG-CD1 3.57Å; Y640-I691 HydrophobicContact CG-CG2 4.48Å; Y640-I691 VanDerWaalsContact CZ-CG2 3.49Å; Y640-K695 WeakPolarHBondContact OH-CD 3.47Å; Y640-K695 PolarHBondContact OH-NZ 2.99Å
641	R	83	Confident	83.3	Confident	133 Å²	133	47.9 Å²	47.9	50%	0.502	25%	0.248	S	C	.	.			trans	-144.6	134.4	177.2	-64.6	-178.1	-178.6	-173.9	-1.8	107.5
642	S	84.1	Confident	83	Confident	18 Å²	18	48 Å²	48	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.1	171.9	84.1	0	0	0	0	109.5	C631 F632 Q680 T684	C631-S642 WeakPolarHBondContact CA-O 3.43Å; F632-S642 WeakPolarHBondContact CB-OG 3.45Å; F632-S642 PolarHBondContact N-O 3.24Å; F632-S642 PolarHBondContact O-N 2.95Å; F632-S642 VanDerWaalsContact O-N 3.1Å; S642-Q680 PolarHBondContact OG-NE2 3.25Å; S642-T684 PolarHBondContact OG-OG1 3.34Å
643	W	87.8	Confident	82.9	Confident	120 Å²	120	48 Å²	48	46%	0.455	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	-176.1	-62	93.7	0	0	0	110.3	L630 C631 A658	L630-W643 WeakPolarHBondContact O-CA 3.45Å; C631-W643 HydrophobicContact CB-CD2 4.31Å; C631-W643 HydrophobicContact CB-CE3 3.72Å; C631-W643 HydrophobicContact CB-CH2 3.82Å; C631-W643 HydrophobicContact CB-CZ2 4.38Å; C631-W643 HydrophobicContact CB-CZ3 3.47Å; C631-W643 VanDerWaalsContact CB-CZ3 3.47Å; W643-A658 HydrophobicContact CB-CB 4.17Å
644	L	89.4	Confident	82.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.7	173.4	-169	72.6	0	0	0	108.8	L630 F632 V655 Y657 L677 Q680	L630-L644 HydrophobicContact CB-CB 4.35Å; L630-L644 WeakPolarHBondContact CB-O 3.27Å; L630-L644 HydrophobicContact CD1-CD2 4.47Å; L630-L644 PolarHBondContact N-O 3.39Å; L630-L644 PolarHBondContact O-N 2.76Å; F632-L644 HydrophobicContact CE2-CB 3.81Å; F632-L644 HydrophobicContact CE2-CD2 4.43Å; L644-V655 HydrophobicContact CD1-CG1 3.44Å; L644-V655 VanDerWaalsContact CD1-CG1 3.44Å; L644-V655 HydrophobicContact CD2-CG1 4.03Å; L644-V655 HydrophobicContact CG-CG1 3.79Å; L644-Y657 HydrophobicContact CD1-CD1 3.79Å; L644-Y657 HydrophobicContact CD1-CD2 4.11Å; L644-Y657 HydrophobicContact CD1-CE1 3.69Å; L644-Y657 HydrophobicContact CD1-CE2 4.03Å; L644-Y657 HydrophobicContact CD1-CG 4.02Å; L644-L677 HydrophobicContact CD2-CD2 3.79Å; L644-Q680 HydrophobicContact CD2-CB 4.48Å; L644-Q680 HydrophobicContact CD2-CG 4.27Å
645	G	89.1	Confident	83.2	Confident	14 Å²	14	47.7 Å²	47.7	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139	170.2	0	0	0	0	0	110.7	V628 V655 L656	V628-G645 CarbonylContact O-C 3.59Å; V628-G645 WeakPolarHBondContact O-CA 3.44Å; G645-V655 CarbonylContact O-C 3.55Å; G645-V655 WeakPolarHBondContact O-CA 3.28Å; G645-L656 PolarHBondContact N-O 3.08Å; G645-L656 PolarHBondContact O-N 3.33Å
646	V	90.4	Very high	83.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116	170.2	-176.1	0	0	0	0	107.7	S627 V628 L630 I648 V654 V655	S627-V646 CarbonylContact C-O 3.54Å; S627-V646 WeakPolarHBondContact CA-O 3Å; V628-V646 PolarHBondContact N-O 2.9Å; V628-V646 PolarHBondContact O-N 2.81Å; L630-V646 HydrophobicContact CD1-CG2 4.06Å; V646-I648 HydrophobicContact CG1-CG1 4.48Å; V646-V654 CarbonylContact C-O 3.53Å; V646-V655 HydrophobicContact CG2-CG2 4.47Å
647	T	89.7	Confident	83.9	Confident	19 Å²	19	46 Å²	46	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.8	174.9	-55.5	0	0	0	0	109.1	E625 T649 V654	E625-T647 HydrophobicContact CG-CG2 3.9Å; E625-T647 VanDerWaalsContact OE1-CG2 3.3Å; E625-T647 WeakPolarHBondContact OE1-CG2 3.48Å; T647-T649 HydrophobicContact CG2-CG2 4.17Å; T647-V654 PolarHBondContact N-O 2.9Å; T647-V654 PolarHBondContact O-N 2.71Å
648	I	90	Very high	83.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.3	-178.7	-55	151.3	0	0	0	107.7	H591 L594 R595 V598 W617 E625 T626 V646 L653	H591-I648 PolarHBondContact CD2-O 3.21Å; L594-I648 HydrophobicContact CB-CG2 3.87Å; R595-I648 HydrophobicContact CB-CD1 4.29Å; R595-I648 HydrophobicContact CG-CD1 4.27Å; V598-I648 HydrophobicContact CB-CD1 4.2Å; V598-I648 HydrophobicContact CG1-CD1 4.07Å; V598-I648 HydrophobicContact CG2-CD1 4.42Å; V598-I648 HydrophobicContact CG2-CG1 4.32Å; W617-I648 HydrophobicContact CH2-CD1 4.24Å; W617-I648 HydrophobicContact CZ3-CD1 4Å; E625-I648 WeakPolarHBondContact CA-O 3.25Å; T626-I648 PolarHBondContact N-O 3.28Å; T626-I648 PolarHBondContact O-N 2.85Å; T626-I648 WeakPolarHBondContact OG1-CD1 3.33Å; V646-I648 HydrophobicContact CG1-CG1 4.48Å; I648-L653 HydrophobicContact CB-CD2 4.18Å; I648-L653 HydrophobicContact CG1-CD2 3.74Å; I648-L653 HydrophobicContact CG2-CD2 4.04Å
649	T	86.4	Confident	83.7	Confident	31 Å²	31	49.8 Å²	49.8	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	162	178.9	69.5	0	0	0	0	109.6	E625 T647 N651 G652	E625-T649 HydrophobicContact CG-CG2 4.35Å; T647-T649 HydrophobicContact CG2-CG2 4.17Å; T649-N651 PolarHBondContact O-N 3.42Å; T649-N651 VanDerWaalsContact O-N 3.13Å; T649-N651 PolarHBondContact OG1-N 2.91Å; T649-G652 PolarHBondContact N-O 3.14Å; T649-G652 PolarHBondContact O-N 3.47Å; T649-G652 VanDerWaalsContact O-N 3.1Å; T649-G652 VanDerWaalsContact O-O 3.14Å; T649-G652 PolarHBondContact OG1-N 2.82Å; T649-G652 PolarHBondContact OG1-O 3.22Å
650	P	81.4	Confident	83.6	Confident	23 Å²	23	48.9 Å²	48.9	15%	0.149	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.3	174.8	25.3	-37.9	0	0	0	113.3	A587 R590 T624	A587-P650 HydrophobicContact CB-CB 4.1Å; A587-P650 HydrophobicContact CB-CG 4.43Å; R590-P650 HydrophobicContact CB-CB 4.34Å; T624-P650 WeakPolarHBondContact O-CD 3.29Å
651	N	80.9	Confident	83.5	Confident	133 Å²	133	49.8 Å²	49.8	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.7	-178.1	-62.4	-10.9	0	0	0	112.6	T649	T649-N651 PolarHBondContact O-N 3.42Å; T649-N651 VanDerWaalsContact O-N 3.13Å; T649-N651 PolarHBondContact OG1-N 2.91Å
652	G	83.9	Confident	83.3	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.8	-166	179.1	0	0	0	0	0	114.2	T649 G667	T649-G652 PolarHBondContact N-O 3.14Å; T649-G652 PolarHBondContact O-N 3.47Å; T649-G652 VanDerWaalsContact O-N 3.1Å; T649-G652 VanDerWaalsContact O-O 3.14Å; T649-G652 PolarHBondContact OG1-N 2.82Å; T649-G652 PolarHBondContact OG1-O 3.22Å; G652-G667 CarbonylContact C-O 3.58Å; G652-G667 VanDerWaalsContact CA-O 3.28Å; G652-G667 WeakPolarHBondContact CA-O 3.27Å
653	L	87.8	Confident	83.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.9	-172.1	-59.3	168.1	0	0	0	111.1	V598 I648 L666 G667 L670 L673	V598-L653 HydrophobicContact CG2-CD1 4.14Å; V598-L653 HydrophobicContact CG2-CD2 3.57Å; I648-L653 HydrophobicContact CB-CD2 4.18Å; I648-L653 HydrophobicContact CG1-CD2 3.74Å; I648-L653 HydrophobicContact CG2-CD2 4.04Å; L653-L666 HydrophobicContact CB-CB 4.25Å; L653-L666 PolarHBondContact O-N 3.36Å; L653-G667 PolarHBondContact N-O 3.28Å; L653-L670 HydrophobicContact CD1-CD2 4.12Å; L653-L673 HydrophobicContact CD1-CB 4.37Å; L653-L673 HydrophobicContact CD1-CD2 4Å
654	V	88.1	Confident	82.8	Confident	31 Å²	31	49.8 Å²	49.8	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.4	174.5	-173.9	0	0	0	0	109.3	V646 T647 L656 Y664 R665	V646-V654 CarbonylContact C-O 3.53Å; T647-V654 PolarHBondContact N-O 2.9Å; T647-V654 PolarHBondContact O-N 2.71Å; V654-L656 HydrophobicContact CG1-CD2 4.29Å; V654-Y664 CarbonylContact C-O 3.56Å; V654-Y664 WeakPolarHBondContact CA-O 3.46Å; V654-R665 HydrophobicContact CG1-CG 4.48Å; V654-R665 HydrophobicContact CG2-CG 4.16Å
655	V	88.2	Confident	82.5	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.8	177.7	179.8	0	0	0	0	109.7	L644 G645 V646 Y657 T663 Y664 L666 L673 V676	L644-V655 HydrophobicContact CD1-CG1 3.44Å; L644-V655 VanDerWaalsContact CD1-CG1 3.44Å; L644-V655 HydrophobicContact CD2-CG1 4.03Å; L644-V655 HydrophobicContact CG-CG1 3.79Å; G645-V655 CarbonylContact O-C 3.55Å; G645-V655 WeakPolarHBondContact O-CA 3.28Å; V646-V655 HydrophobicContact CG2-CG2 4.47Å; V655-Y657 HydrophobicContact CG1-CD2 4.31Å; V655-Y657 HydrophobicContact CG1-CE2 3.87Å; V655-T663 CarbonylContact O-C 3.59Å; V655-T663 WeakPolarHBondContact O-CA 3.26Å; V655-Y664 PolarHBondContact N-O 3.38Å; V655-Y664 PolarHBondContact O-N 3.01Å; V655-L666 HydrophobicContact CG2-CD1 3.43Å; V655-L666 VanDerWaalsContact CG2-CD1 3.43Å; V655-L666 HydrophobicContact CG2-CG 4.17Å; V655-L673 HydrophobicContact CG2-CD1 4.2Å; V655-V676 HydrophobicContact CG1-CG1 4.24Å
656	L	85.8	Confident	82	Confident	65 Å²	65	60.6 Å²	60.6	34%	0.34	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.1	-177.4	-58.7	174.3	0	0	0	109.2	G645 V654 R662 T663	G645-L656 PolarHBondContact N-O 3.08Å; G645-L656 PolarHBondContact O-N 3.33Å; V654-L656 HydrophobicContact CG1-CD2 4.29Å; L656-R662 WeakPolarHBondContact CA-O 3.4Å; L656-T663 HydrophobicContact CD2-CG2 3.22Å
657	Y	81.9	Confident	81.6	Confident	63 Å²	63	62 Å²	62	25%	0.247	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141	169.1	-70.3	-98.3	0	0	0	109.1	L644 V655 P661 R662 Y664	L644-Y657 HydrophobicContact CD1-CD1 3.79Å; L644-Y657 HydrophobicContact CD1-CD2 4.11Å; L644-Y657 HydrophobicContact CD1-CE1 3.69Å; L644-Y657 HydrophobicContact CD1-CE2 4.03Å; L644-Y657 HydrophobicContact CD1-CG 4.02Å; V655-Y657 HydrophobicContact CG1-CD2 4.31Å; V655-Y657 HydrophobicContact CG1-CE2 3.87Å; Y657-P661 VanDerWaalsContact O-CA 3.27Å; Y657-P661 WeakPolarHBondContact O-CA 3.36Å; Y657-R662 PolarHBondContact N-O 2.47Å; Y657-R662 PolarHBondContact O-N 3.17Å; Y657-Y664 AromaticContact CD2-CD2 3.43Å; Y657-Y664 HydrophobicContact CD2-CD2 3.43Å; Y657-Y664 VanDerWaalsContact CD2-CD2 3.43Å; Y657-Y664 AromaticContact CD2-CE2 3.29Å; Y657-Y664 HydrophobicContact CD2-CE2 3.29Å; Y657-Y664 AromaticContact CE2-CD2 3.29Å; Y657-Y664 HydrophobicContact CE2-CD2 3.29Å; Y657-Y664 AromaticContact CE2-CE2 3.29Å; Y657-Y664 HydrophobicContact CE2-CE2 3.29Å; Y657-Y664 HydrophobicContact CE2-CG 4.44Å; Y657-Y664 HydrophobicContact CG-CE2 4.32Å
658	A	74.2	Confident	81	Confident	63 Å²	63	65 Å²	65	52%	0.521	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-33.4	179.8	0	0	0	0	0	112.9	W643	W643-A658 HydrophobicContact CB-CB 4.17Å
659	D	68	Low	80.6	Confident	144 Å²	144	67.8 Å²	67.8	77%	0.77	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.3	106.6	-169.9	-168.2	10.6	0	0	0	112.7
660	P	70.1	Confident	80.4	Confident	69 Å²	69	68.3 Å²	68.3	45%	0.448	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	cis	-66.9	152.8	-10.5	29	-35.2	0	0	0	111.7	R662	P660-R662 HydrophobicContact CG-CG 4.34Å; P660-R662 PolarHBondContact O-N 3.39Å
661	P	73.9	Confident	80.5	Confident	111 Å²	111	70.3 Å²	70.3	72%	0.721	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	109.4	178.7	24.9	-33.1	0	0	0	110.7	Y657	Y657-P661 VanDerWaalsContact O-CA 3.27Å; Y657-P661 WeakPolarHBondContact O-CA 3.36Å
662	R	78.7	Confident	80.6	Confident	103 Å²	103	69.2 Å²	69.2	39%	0.389	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.7	179.6	-65.7	-175.2	-175.3	-151.3	4.5	110.4	L656 Y657 P660 Y664	L656-R662 WeakPolarHBondContact CA-O 3.4Å; Y657-R662 PolarHBondContact N-O 2.47Å; Y657-R662 PolarHBondContact O-N 3.17Å; P660-R662 HydrophobicContact CG-CG 4.34Å; P660-R662 PolarHBondContact O-N 3.39Å; R662-Y664 HydrophobicContact CB-CD2 4.38Å; R662-Y664 HydrophobicContact CB-CE2 3.64Å; R662-Y664 VanDerWaalsContact CD-OH 3.3Å; R662-Y664 WeakPolarHBondContact CD-OH 3.49Å
663	T	81.2	Confident	80.7	Confident	98 Å²	98	69.1 Å²	69.1	60%	0.601	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.2	-179.9	67.6	0	0	0	0	109.7	V655 L656	V655-T663 CarbonylContact O-C 3.59Å; V655-T663 WeakPolarHBondContact O-CA 3.26Å; L656-T663 HydrophobicContact CD2-CG2 3.22Å
664	Y	80	Confident	80.7	Confident	70 Å²	70	72.8 Å²	72.8	28%	0.275	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.2	178.5	-63.1	-85	0	0	0	110	V654 V655 Y657 R662	V654-Y664 CarbonylContact C-O 3.56Å; V654-Y664 WeakPolarHBondContact CA-O 3.46Å; V655-Y664 PolarHBondContact N-O 3.38Å; V655-Y664 PolarHBondContact O-N 3.01Å; Y657-Y664 AromaticContact CD2-CD2 3.43Å; Y657-Y664 HydrophobicContact CD2-CD2 3.43Å; Y657-Y664 VanDerWaalsContact CD2-CD2 3.43Å; Y657-Y664 AromaticContact CD2-CE2 3.29Å; Y657-Y664 HydrophobicContact CD2-CE2 3.29Å; Y657-Y664 AromaticContact CE2-CD2 3.29Å; Y657-Y664 HydrophobicContact CE2-CD2 3.29Å; Y657-Y664 AromaticContact CE2-CE2 3.29Å; Y657-Y664 HydrophobicContact CE2-CE2 3.29Å; Y657-Y664 HydrophobicContact CE2-CG 4.44Å; Y657-Y664 HydrophobicContact CG-CE2 4.32Å; R662-Y664 HydrophobicContact CB-CD2 4.38Å; R662-Y664 HydrophobicContact CB-CE2 3.64Å; R662-Y664 VanDerWaalsContact CD-OH 3.3Å; R662-Y664 WeakPolarHBondContact CD-OH 3.49Å
665	R	83	Confident	80.4	Confident	220 Å²	220	74.6 Å²	74.6	83%	0.83	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.8	175.3	-63	-174.1	178.3	-177	-0.9	108.5	V654 G667	V654-R665 HydrophobicContact CG1-CG 4.48Å; V654-R665 HydrophobicContact CG2-CG 4.16Å; R665-G667 VanDerWaalsContact C-N 3.31Å
666	L	79.3	Confident	80.1	Confident	24 Å²	24	75.9 Å²	75.9	13%	0.126	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-13.9	178.5	-67.4	172.1	0	0	0	112.4	L653 V655 R672 L673 V676	L653-L666 HydrophobicContact CB-CB 4.25Å; L653-L666 PolarHBondContact O-N 3.36Å; V655-L666 HydrophobicContact CG2-CD1 3.43Å; V655-L666 VanDerWaalsContact CG2-CD1 3.43Å; V655-L666 HydrophobicContact CG2-CG 4.17Å; L666-R672 HydrophobicContact CD2-CB 3.97Å; L666-L673 HydrophobicContact CD1-CB 4.06Å; L666-L673 HydrophobicContact CD1-CD1 3.84Å; L666-V676 HydrophobicContact CD2-CG2 4.07Å
667	G	80.7	Confident	80.1	Confident	31 Å²	31	72.8 Å²	72.8	32%	0.32	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.1	-139.1	-169.8	0	0	0	0	0	110	G652 L653 R665	G652-G667 CarbonylContact C-O 3.58Å; G652-G667 VanDerWaalsContact CA-O 3.28Å; G652-G667 WeakPolarHBondContact CA-O 3.27Å; L653-G667 PolarHBondContact N-O 3.28Å; R665-G667 VanDerWaalsContact C-N 3.31Å
668	M	76.5	Confident	80.2	Confident	81 Å²	81	73 Å²	73	40%	0.399	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	7.4	-178.3	-66.4	170.8	34.7	0	0	113.9	F354 L670	F354-M668 HydrophobicContact CB-CE 3.73Å; F354-M668 HydrophobicContact CD1-CE 2.95Å; F354-M668 HydrophobicContact CD1-SD 3.51Å; F354-M668 VanDerWaalsContact CD1-SD 3.51Å; F354-M668 HydrophobicContact CE1-CE 3.6Å; F354-M668 HydrophobicContact CE1-CG 4.27Å; F354-M668 HydrophobicContact CE1-SD 3.63Å; F354-M668 HydrophobicContact CG-CE 3.55Å; M668-L670 PolarHBondContact O-N 3.34Å; M668-L670 VanDerWaalsContact O-N 3.12Å
669	D	81.7	Confident	80.5	Confident	58 Å²	58	72 Å²	72	31%	0.31	37%	0.369	S	S	.	.			trans	-80.6	98.9	-173.6	-168	-13.3	0	0	0	111.4	S671 R672 L673	D669-S671 VanDerWaalsContact C-N 3.26Å; D669-S671 PolarHBondContact O-N 3.39Å; D669-S671 WeakPolarHBondContact OD1-CB 3.18Å; D669-S671 PolarHBondContact OD1-N 3.39Å; D669-S671 PolarHBondContact OD1-OG 2.91Å; D669-R672 HydrophobicContact CB-CB 4.26Å; D669-R672 HydrophobicContact CB-CG 4.16Å; D669-R672 PolarHBondContact OD1-N 3.41Å; D669-R672 WeakPolarHBondContact OD2-CD 3.39Å; D669-R672 WeakPolarHBondContact OD2-CG 3.1Å; D669-R672 IonicContact OD2-NE 2.78Å; D669-R672 PolarHBondContact OD2-NE 3.42Å; D669-L673 PolarHBondContact O-N 3.24Å
670	L	83.2	Confident	81.2	Confident	42 Å²	42	65.7 Å²	65.7	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-66.3	-27	178.2	-65.2	174.5	0	0	0	112.6	Q597 I601 L653 M668 L673 K674	Q597-L670 HydrophobicContact CB-CD1 3.83Å; Q597-L670 HydrophobicContact CB-CD2 4.06Å; Q597-L670 HydrophobicContact CG-CD1 4.03Å; I601-L670 HydrophobicContact CD1-CB 4.06Å; I601-L670 HydrophobicContact CD1-CD2 3.99Å; I601-L670 HydrophobicContact CD1-CG 4.49Å; L653-L670 HydrophobicContact CD1-CD2 4.12Å; M668-L670 PolarHBondContact O-N 3.34Å; M668-L670 VanDerWaalsContact O-N 3.12Å; L670-L673 PolarHBondContact O-N 2.77Å; L670-K674 PolarHBondContact O-N 2.71Å
671	S	83.8	Confident	81.9	Confident	66 Å²	66	62.8 Å²	62.8	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-45.2	179.3	71.5	0	0	0	0	110.8	D669 L673 K674 D675	D669-S671 VanDerWaalsContact C-N 3.26Å; D669-S671 PolarHBondContact O-N 3.39Å; D669-S671 WeakPolarHBondContact OD1-CB 3.18Å; D669-S671 PolarHBondContact OD1-N 3.39Å; D669-S671 PolarHBondContact OD1-OG 2.91Å; S671-L673 VanDerWaalsContact C-N 3.26Å; S671-L673 PolarHBondContact O-N 2.82Å; S671-K674 WeakPolarHBondContact O-CA 3.46Å; S671-K674 WeakPolarHBondContact O-CB 3.13Å; S671-K674 PolarHBondContact O-N 3.39Å; S671-D675 PolarHBondContact O-N 3.21Å
672	R	83	Confident	82.2	Confident	110 Å²	110	58.5 Å²	58.5	42%	0.415	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-34.1	174	-70	177.2	-175	-148.1	-9.7	112.7	L666 D669 D675 V676	L666-R672 HydrophobicContact CD2-CB 3.97Å; D669-R672 HydrophobicContact CB-CB 4.26Å; D669-R672 HydrophobicContact CB-CG 4.16Å; D669-R672 PolarHBondContact OD1-N 3.41Å; D669-R672 WeakPolarHBondContact OD2-CD 3.39Å; D669-R672 WeakPolarHBondContact OD2-CG 3.1Å; D669-R672 IonicContact OD2-NE 2.78Å; D669-R672 PolarHBondContact OD2-NE 3.42Å; R672-D675 PolarHBondContact O-N 2.57Å; R672-V676 WeakPolarHBondContact O-CB 3.36Å; R672-V676 VanDerWaalsContact O-CG2 3.25Å; R672-V676 WeakPolarHBondContact O-CG2 3.5Å; R672-V676 PolarHBondContact O-N 3.05Å
673	L	86.2	Confident	82.3	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-44.8	173.3	179.4	67.1	0	0	0	111.1	V598 I601 L653 V655 L666 D669 L670 S671 D675 V676 L677	V598-L673 HydrophobicContact CB-CD2 4.45Å; V598-L673 HydrophobicContact CG1-CD2 4.23Å; V598-L673 HydrophobicContact CG2-CD2 3.79Å; I601-L673 HydrophobicContact CD1-CD2 4.3Å; L653-L673 HydrophobicContact CD1-CB 4.37Å; L653-L673 HydrophobicContact CD1-CD2 4Å; V655-L673 HydrophobicContact CG2-CD1 4.2Å; L666-L673 HydrophobicContact CD1-CB 4.06Å; L666-L673 HydrophobicContact CD1-CD1 3.84Å; D669-L673 PolarHBondContact O-N 3.24Å; L670-L673 PolarHBondContact O-N 2.77Å; S671-L673 VanDerWaalsContact C-N 3.26Å; S671-L673 PolarHBondContact O-N 2.82Å; L673-D675 VanDerWaalsContact C-N 3.3Å; L673-D675 PolarHBondContact O-N 2.97Å; L673-V676 PolarHBondContact O-N 2.9Å; L673-L677 HydrophobicContact CD1-CD1 4.23Å; L673-L677 HydrophobicContact CD1-CG 4.18Å; L673-L677 HydrophobicContact CD2-CD1 4.5Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 HydrophobicContact CG-CG 4.34Å; L673-L677 WeakPolarHBondContact O-CB 3.31Å; L673-L677 VanDerWaalsContact O-CG 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.41Å; L673-L677 PolarHBondContact O-N 2.88Å
674	K	86.4	Confident	82.3	Confident	77 Å²	77	53.4 Å²	53.4	34%	0.335	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-45.8	175.3	-69.3	-167.8	177.1	-160.8	0	110.9	I601 E604 L670 S671 V676 L677 N678	I601-K674 HydrophobicContact CD1-CG 4.27Å; I601-K674 HydrophobicContact CG1-CG 4.36Å; I601-K674 HydrophobicContact CG2-CG 3.76Å; E604-K674 IonicContact OE1-NZ 3.59Å; E604-K674 IonicContact OE2-NZ 3.55Å; E604-K674 PolarHBondContact OE2-NZ 3.36Å; L670-K674 PolarHBondContact O-N 2.71Å; S671-K674 WeakPolarHBondContact O-CA 3.46Å; S671-K674 WeakPolarHBondContact O-CB 3.13Å; S671-K674 PolarHBondContact O-N 3.39Å; K674-V676 PolarHBondContact O-N 3.47Å; K674-L677 PolarHBondContact O-N 3.42Å; K674-N678 WeakPolarHBondContact O-CB 3.43Å; K674-N678 VanDerWaalsContact O-CG 3.3Å; K674-N678 PolarHBondContact O-N 3.37Å; K674-N678 PolarHBondContact O-ND2 2.78Å
675	D	82.4	Confident	82.5	Confident	70 Å²	70	50.5 Å²	50.5	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-43.9	178.9	-63.7	-25.5	0	0	0	112.2	S671 R672 L673 L677 N678 N679	S671-D675 PolarHBondContact O-N 3.21Å; R672-D675 PolarHBondContact O-N 2.57Å; L673-D675 VanDerWaalsContact C-N 3.3Å; L673-D675 PolarHBondContact O-N 2.97Å; D675-L677 VanDerWaalsContact C-N 3.33Å; D675-L677 PolarHBondContact O-N 3.17Å; D675-N678 PolarHBondContact O-N 3.47Å; D675-N679 VanDerWaalsContact O-CB 3.3Å; D675-N679 WeakPolarHBondContact O-CB 3.29Å; D675-N679 VanDerWaalsContact O-CG 3.25Å; D675-N679 PolarHBondContact O-N 2.89Å; D675-N679 PolarHBondContact O-ND2 3.37Å
676	V	83.2	Confident	82.5	Confident	27 Å²	27	40 Å²	40	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.3	166.4	0	0	0	0	111.2	V655 L666 R672 L673 K674 N679 Q680	V655-V676 HydrophobicContact CG1-CG1 4.24Å; L666-V676 HydrophobicContact CD2-CG2 4.07Å; R672-V676 WeakPolarHBondContact O-CB 3.36Å; R672-V676 VanDerWaalsContact O-CG2 3.25Å; R672-V676 WeakPolarHBondContact O-CG2 3.5Å; R672-V676 PolarHBondContact O-N 3.05Å; L673-V676 PolarHBondContact O-N 2.9Å; K674-V676 PolarHBondContact O-N 3.47Å; V676-N679 PolarHBondContact O-N 3.4Å; V676-Q680 WeakPolarHBondContact O-CB 3.3Å; V676-Q680 PolarHBondContact O-N 3.03Å
677	L	85.8	Confident	82.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-42.3	178.8	-68.4	173.4	0	0	0	112.2	I601 L605 L630 F632 L644 L673 K674 D675 Q680 V681	I601-L677 HydrophobicContact CG2-CD1 3.86Å; L605-L677 HydrophobicContact CD2-CB 3.62Å; L605-L677 HydrophobicContact CD2-CD1 4.11Å; L605-L677 HydrophobicContact CD2-CG 4.31Å; L630-L677 HydrophobicContact CD1-CD2 3.55Å; F632-L677 HydrophobicContact CZ-CD2 4.27Å; L644-L677 HydrophobicContact CD2-CD2 3.79Å; L673-L677 HydrophobicContact CD1-CD1 4.23Å; L673-L677 HydrophobicContact CD1-CG 4.18Å; L673-L677 HydrophobicContact CD2-CD1 4.5Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 HydrophobicContact CG-CG 4.34Å; L673-L677 WeakPolarHBondContact O-CB 3.31Å; L673-L677 VanDerWaalsContact O-CG 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.41Å; L673-L677 PolarHBondContact O-N 2.88Å; K674-L677 PolarHBondContact O-N 3.42Å; D675-L677 VanDerWaalsContact C-N 3.33Å; D675-L677 PolarHBondContact O-N 3.17Å; L677-Q680 WeakPolarHBondContact O-CB 3.25Å; L677-Q680 PolarHBondContact O-N 3.46Å; L677-V681 WeakPolarHBondContact O-CG2 3.47Å; L677-V681 PolarHBondContact O-N 2.94Å
678	N	83.5	Confident	82.9	Confident	68 Å²	68	40.7 Å²	40.7	36%	0.364	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-43.3	174.9	-74.5	-26	0	0	0	111.6	L605 K674 D675 Q680 V681 L682	L605-N678 VanDerWaalsContact CD1-OD1 3.29Å; L605-N678 WeakPolarHBondContact CD1-OD1 3.09Å; K674-N678 WeakPolarHBondContact O-CB 3.43Å; K674-N678 VanDerWaalsContact O-CG 3.3Å; K674-N678 PolarHBondContact O-N 3.37Å; K674-N678 PolarHBondContact O-ND2 2.78Å; D675-N678 PolarHBondContact O-N 3.47Å; N678-Q680 VanDerWaalsContact C-N 3.31Å; N678-Q680 PolarHBondContact O-N 3.29Å; N678-V681 WeakPolarHBondContact O-CB 3.42Å; N678-V681 PolarHBondContact O-N 2.94Å; N678-L682 PolarHBondContact O-N 3.49Å; N678-L682 VanDerWaalsContact O-N 3.12Å
679	N	79.5	Confident	83.3	Confident	41 Å²	41	36.9 Å²	36.9	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-38.5	173.7	-77.6	-47.4	0	0	0	112.1	D675 V676 L682 Y683 P720 A741	D675-N679 VanDerWaalsContact O-CB 3.3Å; D675-N679 WeakPolarHBondContact O-CB 3.29Å; D675-N679 VanDerWaalsContact O-CG 3.25Å; D675-N679 PolarHBondContact O-N 2.89Å; D675-N679 PolarHBondContact O-ND2 3.37Å; V676-N679 PolarHBondContact O-N 3.4Å; N679-L682 PolarHBondContact O-N 2.89Å; N679-Y683 WeakPolarHBondContact O-CB 3.36Å; N679-Y683 PolarHBondContact O-N 3.31Å; N679-P720 WeakPolarHBondContact OD1-CD 3.36Å; N679-P720 WeakPolarHBondContact OD1-CG 3.38Å; N679-A741 WeakPolarHBondContact OD1-CB 3.4Å
680	Q	83.7	Confident	83.5	Confident	11 Å²	11	34.3 Å²	34.3	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-38.3	177.3	-175.2	62.2	20.6	0	0	112.5	F632 S642 L644 V676 L677 N678 T684	F632-Q680 HydrophobicContact CD2-CG 3.89Å; F632-Q680 HydrophobicContact CE1-CG 4.34Å; F632-Q680 HydrophobicContact CE2-CG 3.56Å; F632-Q680 HydrophobicContact CG-CG 4.43Å; F632-Q680 HydrophobicContact CZ-CB 4.35Å; F632-Q680 HydrophobicContact CZ-CG 3.82Å; S642-Q680 PolarHBondContact OG-NE2 3.25Å; L644-Q680 HydrophobicContact CD2-CB 4.48Å; L644-Q680 HydrophobicContact CD2-CG 4.27Å; V676-Q680 WeakPolarHBondContact O-CB 3.3Å; V676-Q680 PolarHBondContact O-N 3.03Å; L677-Q680 WeakPolarHBondContact O-CB 3.25Å; L677-Q680 PolarHBondContact O-N 3.46Å; N678-Q680 VanDerWaalsContact C-N 3.31Å; N678-Q680 PolarHBondContact O-N 3.29Å; Q680-T684 WeakPolarHBondContact O-CB 3.43Å; Q680-T684 PolarHBondContact O-N 3.32Å; Q680-T684 PolarHBondContact O-OG1 2.84Å
681	V	83.9	Confident	83.6	Confident	9 Å²	9	33.5 Å²	33.5	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-51.3	173.6	169.2	0	0	0	0	109.6	L605 P610 I611 I613 F632 L677 N678 Y683 T684 Q685	L605-V681 HydrophobicContact CD1-CG2 4.49Å; L605-V681 HydrophobicContact CD2-CG2 4.47Å; P610-V681 HydrophobicContact CG-CG1 4.42Å; I611-V681 HydrophobicContact CD1-CB 4.08Å; I611-V681 HydrophobicContact CD1-CG1 3.46Å; I611-V681 VanDerWaalsContact CD1-CG1 3.46Å; I611-V681 WeakPolarHBondContact CD1-O 3.25Å; I611-V681 HydrophobicContact CG1-CG1 3.99Å; I613-V681 HydrophobicContact CD1-CG2 4.42Å; F632-V681 HydrophobicContact CD1-CG2 4.04Å; F632-V681 HydrophobicContact CE1-CG2 3.95Å; L677-V681 WeakPolarHBondContact O-CG2 3.47Å; L677-V681 PolarHBondContact O-N 2.94Å; N678-V681 WeakPolarHBondContact O-CB 3.42Å; N678-V681 PolarHBondContact O-N 2.94Å; V681-Y683 PolarHBondContact O-N 2.88Å; V681-T684 WeakPolarHBondContact O-CB 3.35Å; V681-T684 PolarHBondContact O-N 3.02Å; V681-Q685 PolarHBondContact O-N 2.77Å
682	L	80.4	Confident	83.8	Confident	20 Å²	20	30.5 Å²	30.5	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-45.6	178.7	-71.6	171.4	0	0	0	113.1	N678 N679 T684 Q685 M686 S740 A741 I745	N678-L682 PolarHBondContact O-N 3.49Å; N678-L682 VanDerWaalsContact O-N 3.12Å; N679-L682 PolarHBondContact O-N 2.89Å; L682-T684 VanDerWaalsContact C-N 3.27Å; L682-T684 PolarHBondContact O-N 3.17Å; L682-Q685 PolarHBondContact O-N 2.81Å; L682-M686 WeakPolarHBondContact O-CB 3.46Å; L682-M686 PolarHBondContact O-N 3.42Å; L682-S740 VanDerWaalsContact CD1-O 3.23Å; L682-S740 WeakPolarHBondContact CD1-O 3.31Å; L682-A741 VanDerWaalsContact CD1-CA 3.43Å; L682-A741 HydrophobicContact CD1-CB 4.33Å; L682-I745 HydrophobicContact CD2-CD1 4.47Å; L682-I745 HydrophobicContact CD2-CG1 4.18Å
683	Y	80.5	Confident	84	Confident	91 Å²	91	25.3 Å²	25.3	36%	0.357	13%	0.125	S	C	.	.	H	α-helix	trans	-57	-44	176.1	177.1	-95.6	0	0	0	111.2	N679 V681 M686 N687 A709 I722	N679-Y683 WeakPolarHBondContact O-CB 3.36Å; N679-Y683 PolarHBondContact O-N 3.31Å; V681-Y683 PolarHBondContact O-N 2.88Å; Y683-M686 PolarHBondContact O-N 3.43Å; Y683-N687 WeakPolarHBondContact O-CB 3.42Å; Y683-N687 PolarHBondContact O-N 3.02Å; Y683-A709 HydrophobicContact CD2-CB 3.74Å; Y683-A709 HydrophobicContact CE2-CB 3.92Å; Y683-I722 HydrophobicContact CD2-CD1 4.41Å
684	T	82.4	Confident	84	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-48.6	179.1	-59.8	0	0	0	0	111.1	I611 F632 S642 Q680 V681 L682 M686 N687 Y688	I611-T684 HydrophobicContact CD1-CG2 4.22Å; F632-T684 HydrophobicContact CB-CG2 3.94Å; S642-T684 PolarHBondContact OG-OG1 3.34Å; Q680-T684 WeakPolarHBondContact O-CB 3.43Å; Q680-T684 PolarHBondContact O-N 3.32Å; Q680-T684 PolarHBondContact O-OG1 2.84Å; V681-T684 WeakPolarHBondContact O-CB 3.35Å; V681-T684 PolarHBondContact O-N 3.02Å; L682-T684 VanDerWaalsContact C-N 3.27Å; L682-T684 PolarHBondContact O-N 3.17Å; T684-M686 PolarHBondContact O-N 3.47Å; T684-N687 PolarHBondContact O-N 3.14Å; T684-Y688 HydrophobicContact CG2-CD2 3.8Å; T684-Y688 HydrophobicContact CG2-CE2 3.46Å; T684-Y688 VanDerWaalsContact CG2-CE2 3.46Å; T684-Y688 WeakPolarHBondContact O-CD2 3.49Å; T684-Y688 PolarHBondContact O-N 3.05Å
685	Q	83.2	Confident	84	Confident	9 Å²	9	31 Å²	31	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-46.5	176.5	-70.8	177	-39.8	0	0	112.2	I611 V681 L682 N687 Y688 I689 I745	I611-Q685 HydrophobicContact CD1-CG 3.45Å; I611-Q685 VanDerWaalsContact CD1-CG 3.45Å; I611-Q685 HydrophobicContact CG1-CG 3.82Å; V681-Q685 PolarHBondContact O-N 2.77Å; L682-Q685 PolarHBondContact O-N 2.81Å; Q685-N687 VanDerWaalsContact C-N 3.29Å; Q685-N687 PolarHBondContact O-N 2.83Å; Q685-Y688 WeakPolarHBondContact O-CB 3.3Å; Q685-Y688 PolarHBondContact O-N 2.82Å; Q685-I689 WeakPolarHBondContact O-CG1 3.32Å; Q685-I689 PolarHBondContact O-N 3.25Å; Q685-I745 HydrophobicContact CB-CD1 3.78Å; Q685-I745 HydrophobicContact CG-CD1 4.47Å; Q685-I745 VanDerWaalsContact OE1-CD1 3.25Å
686	M	82.5	Confident	84.1	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-30	-177.7	-166.6	58.5	74	0	0	112.2	L682 Y683 T684 D690 I722 K724 L737 A739 I745	L682-M686 WeakPolarHBondContact O-CB 3.46Å; L682-M686 PolarHBondContact O-N 3.42Å; Y683-M686 PolarHBondContact O-N 3.43Å; T684-M686 PolarHBondContact O-N 3.47Å; M686-D690 VanDerWaalsContact O-CB 3.24Å; M686-D690 WeakPolarHBondContact O-CB 3.24Å; M686-D690 PolarHBondContact O-N 3.01Å; M686-I722 HydrophobicContact CG-CG2 3.79Å; M686-K724 HydrophobicContact CG-CD 3.68Å; M686-K724 HydrophobicContact CG-CG 4.12Å; M686-K724 PolarHBondContact O-NZ 3.33Å; M686-K724 HydrophobicContact SD-CB 4.44Å; M686-K724 HydrophobicContact SD-CD 3.96Å; M686-K724 HydrophobicContact SD-CG 4.21Å; M686-L737 HydrophobicContact CE-CB 3.92Å; M686-L737 HydrophobicContact SD-CB 3.94Å; M686-L737 HydrophobicContact SD-CD1 3.95Å; M686-A739 HydrophobicContact CE-CB 3.51Å; M686-I745 HydrophobicContact CE-CG1 4.42Å; M686-I745 HydrophobicContact CE-CG2 4.01Å
687	N	83.6	Confident	84.3	Confident	56 Å²	56	32.8 Å²	32.8	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-70.1	-40.9	172.1	-162.9	25	0	0	0	111.5	Y683 T684 Q685 D690 I691	Y683-N687 WeakPolarHBondContact O-CB 3.42Å; Y683-N687 PolarHBondContact O-N 3.02Å; T684-N687 PolarHBondContact O-N 3.14Å; Q685-N687 VanDerWaalsContact C-N 3.29Å; Q685-N687 PolarHBondContact O-N 2.83Å; N687-D690 WeakPolarHBondContact O-CB 3.21Å; N687-D690 PolarHBondContact O-N 3.28Å; N687-I691 VanDerWaalsContact O-CG1 3.27Å; N687-I691 WeakPolarHBondContact O-CG1 3.34Å; N687-I691 PolarHBondContact O-N 3.21Å
688	Y	84.6	Confident	84.3	Confident	12 Å²	12	34.8 Å²	34.8	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-48	173.4	-83.4	-70.1	0	0	0	112.9	Y633 C634 Y637 Y640 T684 Q685 D690 I691 L692	Y633-Y688 WeakPolarHBondContact CA-OH 3.36Å; Y633-Y688 VanDerWaalsContact CB-OH 3.25Å; Y633-Y688 WeakPolarHBondContact CB-OH 3.41Å; C634-Y688 HydrophobicContact CB-CD2 4.04Å; C634-Y688 HydrophobicContact CB-CE2 3.91Å; C634-Y688 HydrophobicContact CB-CG 4.45Å; C634-Y688 PolarHBondContact N-OH 3.42Å; C634-Y688 WeakPolarHBondContact SG-CD2 3.36Å; Y637-Y688 WeakPolarHBondContact O-CE1 3.44Å; Y637-Y688 PolarHBondContact O-OH 2.83Å; Y640-Y688 PolarHBondContact O-OH 3.18Å; T684-Y688 HydrophobicContact CG2-CD2 3.8Å; T684-Y688 HydrophobicContact CG2-CE2 3.46Å; T684-Y688 VanDerWaalsContact CG2-CE2 3.46Å; T684-Y688 WeakPolarHBondContact O-CD2 3.49Å; T684-Y688 PolarHBondContact O-N 3.05Å; Q685-Y688 WeakPolarHBondContact O-CB 3.3Å; Q685-Y688 PolarHBondContact O-N 2.82Å; Y688-D690 PolarHBondContact O-N 3.31Å; Y688-I691 PolarHBondContact O-N 3Å; Y688-L692 VanDerWaalsContact O-CB 3.24Å; Y688-L692 WeakPolarHBondContact O-CB 3.43Å; Y688-L692 PolarHBondContact O-N 3.41Å
689	I	85.8	Confident	84.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-38.4	180	-66.9	165.7	0	0	0	110.6	Q685 L692 A693 L737 L785 V786 V789 M793	Q685-I689 WeakPolarHBondContact O-CG1 3.32Å; Q685-I689 PolarHBondContact O-N 3.25Å; I689-L692 PolarHBondContact O-N 3.28Å; I689-A693 WeakPolarHBondContact O-CB 3.47Å; I689-A693 PolarHBondContact O-N 3.43Å; I689-L737 HydrophobicContact CB-CD1 4.33Å; I689-L737 HydrophobicContact CD1-CD1 4.43Å; I689-L737 HydrophobicContact CG2-CD1 3.34Å; I689-L785 HydrophobicContact CD1-CD2 4.1Å; I689-V786 HydrophobicContact CG1-CG1 4.37Å; I689-V786 HydrophobicContact CG1-CG2 4.27Å; I689-V789 HydrophobicContact CD1-CG1 4.47Å; I689-V789 HydrophobicContact CD1-CG2 4.44Å; I689-V789 HydrophobicContact CG1-CG1 4.44Å; I689-V789 HydrophobicContact CG2-CG1 3.84Å; I689-M793 HydrophobicContact CG2-CE 3.35Å
690	D	86.3	Confident	85	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-41.9	179.9	-174.1	19.2	0	0	0	113.2	M686 N687 Y688 I694 R701 K724 F726	M686-D690 VanDerWaalsContact O-CB 3.24Å; M686-D690 WeakPolarHBondContact O-CB 3.24Å; M686-D690 PolarHBondContact O-N 3.01Å; N687-D690 WeakPolarHBondContact O-CB 3.21Å; N687-D690 PolarHBondContact O-N 3.28Å; Y688-D690 PolarHBondContact O-N 3.31Å; D690-I694 WeakPolarHBondContact O-CG1 3.48Å; D690-I694 PolarHBondContact O-N 3.05Å; D690-I694 VanDerWaalsContact O-N 3.14Å; D690-I694 VanDerWaalsContact OD1-CD1 3.31Å; D690-I694 WeakPolarHBondContact OD1-CD1 3.29Å; D690-R701 IonicContact OD1-CZ 2.99Å; D690-R701 IonicContact OD1-NE 2.61Å; D690-R701 PolarHBondContact OD1-NE 2.95Å; D690-R701 IonicContact OD1-NH2 3.55Å; D690-R701 PolarHBondContact OD1-NH2 3.47Å; D690-R701 IonicContact OD2-CZ 3.08Å; D690-R701 VanDerWaalsContact OD2-CZ 3.25Å; D690-R701 IonicContact OD2-NE 2.7Å; D690-R701 PolarHBondContact OD2-NE 3.23Å; D690-R701 IonicContact OD2-NH2 2.91Å; D690-R701 PolarHBondContact OD2-NH2 3.1Å; D690-K724 HydrophobicContact CB-CD 3.89Å; D690-K724 VanDerWaalsContact CG-NZ 3.3Å; D690-K724 IonicContact OD2-NZ 3.67Å; D690-K724 PolarHBondContact OD2-NZ 2.97Å; D690-F726 HydrophobicContact CB-CZ 4.02Å; D690-F726 VanDerWaalsContact OD1-CE1 3.29Å; D690-F726 WeakPolarHBondContact OD1-CE1 3.24Å; D690-F726 WeakPolarHBondContact OD1-CZ 3.47Å
691	I	85.9	Confident	85.1	Confident	25 Å²	25	38.3 Å²	38.3	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-44.5	172.5	-66.5	166.8	0	0	0	110.3	Y640 N687 Y688 I694 K695	Y640-I691 HydrophobicContact CD1-CD1 3.54Å; Y640-I691 HydrophobicContact CD2-CD1 3.87Å; Y640-I691 HydrophobicContact CD2-CG2 3.73Å; Y640-I691 HydrophobicContact CE1-CD1 3.79Å; Y640-I691 HydrophobicContact CE1-CG2 4.28Å; Y640-I691 HydrophobicContact CE2-CB 4.41Å; Y640-I691 HydrophobicContact CE2-CD1 4.14Å; Y640-I691 HydrophobicContact CE2-CG2 3.19Å; Y640-I691 HydrophobicContact CG-CD1 3.57Å; Y640-I691 HydrophobicContact CG-CG2 4.48Å; Y640-I691 VanDerWaalsContact CZ-CG2 3.49Å; N687-I691 VanDerWaalsContact O-CG1 3.27Å; N687-I691 WeakPolarHBondContact O-CG1 3.34Å; N687-I691 PolarHBondContact O-N 3.21Å; Y688-I691 PolarHBondContact O-N 3Å; I691-I694 PolarHBondContact O-N 3.12Å; I691-K695 HydrophobicContact CG2-CD 3.96Å; I691-K695 HydrophobicContact CG2-CG 4.36Å; I691-K695 WeakPolarHBondContact O-CA 3.46Å; I691-K695 VanDerWaalsContact O-CB 3.26Å; I691-K695 WeakPolarHBondContact O-CB 3.37Å; I691-K695 PolarHBondContact O-N 2.76Å
692	L	86.8	Confident	85	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.216	C	C	.	.	I	π-helix	trans	-61.7	-48.3	179.4	-177.2	148.3	0	0	0	111	Y637 Y688 I689 I694 I696 L697 V786 E790	Y637-L692 HydrophobicContact CD1-CD1 4.08Å; Y637-L692 HydrophobicContact CE1-CD1 3.41Å; Y637-L692 VanDerWaalsContact CE1-CD1 3.41Å; Y688-L692 VanDerWaalsContact O-CB 3.24Å; Y688-L692 WeakPolarHBondContact O-CB 3.43Å; Y688-L692 PolarHBondContact O-N 3.41Å; I689-L692 PolarHBondContact O-N 3.28Å; L692-I694 PolarHBondContact O-N 3.29Å; L692-I696 HydrophobicContact CB-CD1 4.48Å; L692-I696 HydrophobicContact CG-CD1 4.25Å; L692-I696 WeakPolarHBondContact O-CA 3.38Å; L692-I696 VanDerWaalsContact O-CB 3.31Å; L692-I696 WeakPolarHBondContact O-CB 3.36Å; L692-I696 PolarHBondContact O-N 3.08Å; L692-I696 VanDerWaalsContact O-N 3.08Å; L692-L697 HydrophobicContact CD2-CD1 3.51Å; L692-L697 HydrophobicContact CD2-CG 3.96Å; L692-L697 PolarHBondContact O-N 2.7Å; L692-V786 HydrophobicContact CD1-CG1 4.13Å; L692-E790 HydrophobicContact CD1-CB 3.81Å; L692-E790 HydrophobicContact CD1-CG 4Å; L692-E790 HydrophobicContact CD2-CB 3.8Å; L692-E790 HydrophobicContact CD2-CG 3.93Å; L692-E790 HydrophobicContact CG-CB 4.43Å; L692-E790 HydrophobicContact CG-CG 4.42Å
693	A	87.1	Confident	84.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-57.5	-48.4	178.7	0	0	0	0	0	111.4	I689 L697 G698 W699 F726 M793	I689-A693 WeakPolarHBondContact O-CB 3.47Å; I689-A693 PolarHBondContact O-N 3.43Å; A693-L697 CarbonylContact O-C 3.48Å; A693-G698 PolarHBondContact O-N 2.98Å; A693-W699 HydrophobicContact CB-CB 4.16Å; A693-W699 WeakPolarHBondContact O-CB 3.47Å; A693-W699 PolarHBondContact O-N 3.3Å; A693-F726 HydrophobicContact CB-CD1 3.76Å; A693-F726 HydrophobicContact CB-CE1 3.7Å; A693-F726 HydrophobicContact CB-CG 4.32Å; A693-F726 HydrophobicContact CB-CZ 4.22Å; A693-M793 HydrophobicContact CB-CE 4.13Å; A693-M793 HydrophobicContact CB-SD 3.8Å
694	I	86.7	Confident	84.2	Confident	60 Å²	60	41.9 Å²	41.9	31%	0.308	23%	0.225	S	C	.	.	I	π-helix	trans	-81.9	-51.2	-173.7	-62.7	168.4	0	0	0	112.3	D690 I691 L692 R701 F726	D690-I694 WeakPolarHBondContact O-CG1 3.48Å; D690-I694 PolarHBondContact O-N 3.05Å; D690-I694 VanDerWaalsContact O-N 3.14Å; D690-I694 VanDerWaalsContact OD1-CD1 3.31Å; D690-I694 WeakPolarHBondContact OD1-CD1 3.29Å; I691-I694 PolarHBondContact O-N 3.12Å; L692-I694 PolarHBondContact O-N 3.29Å; I694-R701 HydrophobicContact CD1-CB 3.89Å; I694-R701 HydrophobicContact CG1-CB 4.41Å; I694-F726 HydrophobicContact CD1-CE1 4.49Å; I694-F726 HydrophobicContact CG1-CE1 4.33Å
695	K	85.6	Confident	83.4	Confident	139 Å²	139	45.3 Å²	45.3	60%	0.604	24%	0.243	S	C	*	.	I	π-helix	trans	-83.5	-30.8	-170.1	-62.5	-168.4	-179.9	-175.6	0	113.1	Y640 I691	Y640-K695 WeakPolarHBondContact OH-CD 3.47Å; Y640-K695 PolarHBondContact OH-NZ 2.99Å; I691-K695 HydrophobicContact CG2-CD 3.96Å; I691-K695 HydrophobicContact CG2-CG 4.36Å; I691-K695 WeakPolarHBondContact O-CA 3.46Å; I691-K695 VanDerWaalsContact O-CB 3.26Å; I691-K695 WeakPolarHBondContact O-CB 3.37Å; I691-K695 PolarHBondContact O-N 2.76Å
696	I	84.9	Confident	82	Confident	107 Å²	107	48 Å²	48	55%	0.549	26%	0.261	S	S	.	.	I	π-helix	trans	-101.2	-50	-175.3	-54.7	178.8	0	0	0	110.1	L692	L692-I696 HydrophobicContact CB-CD1 4.48Å; L692-I696 HydrophobicContact CG-CD1 4.25Å; L692-I696 WeakPolarHBondContact O-CA 3.38Å; L692-I696 VanDerWaalsContact O-CB 3.31Å; L692-I696 WeakPolarHBondContact O-CB 3.36Å; L692-I696 PolarHBondContact O-N 3.08Å; L692-I696 VanDerWaalsContact O-N 3.08Å
697	L	87.5	Confident	80.2	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.141	30%	0.297	C	S	.	.	S	Bend	trans	-92.9	-9.9	-174.6	-59.1	-179.8	0	0	0	114.6	L692 A693 W699 P729 M793 T794	L692-L697 HydrophobicContact CD2-CD1 3.51Å; L692-L697 HydrophobicContact CD2-CG 3.96Å; L692-L697 PolarHBondContact O-N 2.7Å; A693-L697 CarbonylContact O-C 3.48Å; L697-W699 VanDerWaalsContact C-N 3.33Å; L697-W699 VanDerWaalsContact CB-CD1 3.44Å; L697-W699 PolarHBondContact O-N 3.41Å; L697-P729 WeakPolarHBondContact O-CG 3.07Å; L697-M793 HydrophobicContact CD1-CB 3.33Å; L697-M793 HydrophobicContact CD1-CG 4.4Å; L697-M793 HydrophobicContact CD1-SD 4.46Å; L697-T794 WeakPolarHBondContact CD2-OG1 3.33Å
698	G	86.1	Confident	78.2	Confident	42 Å²	42	55 Å²	55	43%	0.433	29%	0.293	S	S	.	.			trans	74.1	15.3	177.7	0	0	0	0	0	115.6	A693	A693-G698 PolarHBondContact O-N 2.98Å
699	W	90.3	Very high	75.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.015	31%	0.308	C	S	.	.			trans	-68.8	145.5	177.3	-72.7	55.3	0	0	0	111.4	A693 L697 F726 A727 I735 M793 L796	A693-W699 HydrophobicContact CB-CB 4.16Å; A693-W699 WeakPolarHBondContact O-CB 3.47Å; A693-W699 PolarHBondContact O-N 3.3Å; L697-W699 VanDerWaalsContact C-N 3.33Å; L697-W699 VanDerWaalsContact CB-CD1 3.44Å; L697-W699 PolarHBondContact O-N 3.41Å; W699-F726 HydrophobicContact CB-CB 4.41Å; W699-F726 HydrophobicContact CE3-CB 3.66Å; W699-F726 HydrophobicContact CZ3-CB 4.41Å; W699-A727 WeakPolarHBondContact CA-O 3.41Å; W699-I735 HydrophobicContact CE3-CD1 4.22Å; W699-I735 HydrophobicContact CE3-CG1 4.5Å; W699-I735 HydrophobicContact CH2-CD1 3.16Å; W699-I735 HydrophobicContact CH2-CG1 3.65Å; W699-I735 HydrophobicContact CZ2-CD1 3.94Å; W699-I735 HydrophobicContact CZ3-CB 4.04Å; W699-I735 HydrophobicContact CZ3-CD1 3.33Å; W699-I735 HydrophobicContact CZ3-CG1 3.46Å; W699-I735 VanDerWaalsContact CZ3-CG1 3.46Å; W699-M793 HydrophobicContact CD2-SD 4.17Å; W699-M793 HydrophobicContact CE3-SD 4.5Å; W699-M793 HydrophobicContact CG-SD 4.49Å; W699-M793 HydrophobicContact CZ2-CB 4.02Å; W699-M793 HydrophobicContact CZ2-CG 4.36Å; W699-M793 VanDerWaalsContact CZ2-O 3.26Å; W699-M793 WeakPolarHBondContact CZ2-O 3.18Å; W699-M793 PolarHBondContact NE1-O 3.23Å; W699-L796 HydrophobicContact CH2-CB 3.84Å; W699-L796 HydrophobicContact CZ2-CB 3.8Å
700	V	87.5	Confident	73.7	Confident	87 Å²	87	59.7 Å²	59.7	53%	0.527	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.5	179.7	-178.5	0	0	0	0	109.6	L702 F726 A727	V700-L702 PolarHBondContact O-N 3.1Å; V700-F726 CarbonylContact O-C 3.53Å; V700-F726 WeakPolarHBondContact O-CA 3.48Å; V700-A727 HydrophobicContact CB-CB 4.5Å; V700-A727 PolarHBondContact N-O 3.14Å; V700-A727 PolarHBondContact O-N 3.39Å
701	R	86.1	Confident	71.4	Confident	103 Å²	103	61.9 Å²	61.9	39%	0.389	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.6	175.2	-166.6	-167.7	-59	147.5	-4.3	109.9	D690 I694 F726	D690-R701 IonicContact OD1-CZ 2.99Å; D690-R701 IonicContact OD1-NE 2.61Å; D690-R701 PolarHBondContact OD1-NE 2.95Å; D690-R701 IonicContact OD1-NH2 3.55Å; D690-R701 PolarHBondContact OD1-NH2 3.47Å; D690-R701 IonicContact OD2-CZ 3.08Å; D690-R701 VanDerWaalsContact OD2-CZ 3.25Å; D690-R701 IonicContact OD2-NE 2.7Å; D690-R701 PolarHBondContact OD2-NE 3.23Å; D690-R701 IonicContact OD2-NH2 2.91Å; D690-R701 PolarHBondContact OD2-NH2 3.1Å; I694-R701 HydrophobicContact CD1-CB 3.89Å; I694-R701 HydrophobicContact CG1-CB 4.41Å; R701-F726 HydrophobicContact CB-CD1 4.27Å; R701-F726 HydrophobicContact CB-CE1 4.25Å; R701-F726 HydrophobicContact CG-CD1 4.37Å; R701-F726 HydrophobicContact CG-CE1 4.09Å
702	L	82.2	Confident	69.2	Low	100 Å²	100	66.2 Å²	66.2	52%	0.524	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-35	178.4	-64.2	-177.4	0	0	0	112.7	V700 M725 A727 L734	V700-L702 PolarHBondContact O-N 3.1Å; L702-M725 HydrophobicContact CB-CB 4.36Å; L702-M725 PolarHBondContact N-O 3.28Å; L702-A727 HydrophobicContact CD1-CB 3.95Å; L702-A727 HydrophobicContact CD2-CB 4.19Å; L702-A727 HydrophobicContact CG-CB 3.97Å; L702-L734 HydrophobicContact CD1-CD2 3.27Å
703	G	72.7	Confident	67.3	Low	26 Å²	26	69.2 Å²	69.2	27%	0.268	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	128.8	-175	0	0	0	0	0	110.6	M725	G703-M725 PolarHBondContact N-O 2.82Å; G703-M725 PolarHBondContact O-N 3.33Å
704	N	71.6	Confident	65.2	Low	70 Å²	70	78 Å²	78	37%	0.374	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.2	166.1	-168.1	16.5	0	0	0	106.2	P706	N704-P706 WeakPolarHBondContact O-CD 3.18Å
705	N	65.2	Low	63.2	Low	74 Å²	74	83 Å²	83	40%	0.396	45%	0.452	S	S	.	.			trans	-96.6	90.9	161.8	-168.8	-9.9	0	0	0	108.4	F707 V723	N705-F707 PolarHBondContact O-N 3.28Å; N705-F707 WeakPolarHBondContact OD1-CA 2.99Å; N705-F707 WeakPolarHBondContact OD1-CB 3.46Å; N705-F707 PolarHBondContact OD1-N 3.21Å; N705-V723 PolarHBondContact N-O 2.83Å; N705-V723 VanDerWaalsContact N-O 3.11Å
706	P	52.5	Low	61.2	Low	66 Å²	66	80.7 Å²	80.7	43%	0.429	45%	0.445	S	S	.	.			trans	-69.9	-10.3	173.2	30.2	-34.3	0	0	0	112.2	N704 S708 A709	N704-P706 WeakPolarHBondContact O-CD 3.18Å; P706-S708 VanDerWaalsContact C-N 3.33Å; P706-S708 PolarHBondContact O-N 2.64Å; P706-A709 PolarHBondContact O-N 3.17Å
707	F	46.3	Very low	59.3	Low	175 Å²	175	79.1 Å²	79.1	77%	0.768	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	33.6	-170.1	-66.2	-73.5	0	0	0	115.2	N705	N705-F707 PolarHBondContact O-N 3.28Å; N705-F707 WeakPolarHBondContact OD1-CA 2.99Å; N705-F707 WeakPolarHBondContact OD1-CB 3.46Å; N705-F707 PolarHBondContact OD1-N 3.21Å
708	S	41.5	Very low	57.5	Low	28 Å²	28	84.3 Å²	84.3	20%	0.196	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-13.7	151	-129.1	0	0	0	0	112	P706 V710 P720 V721	P706-S708 VanDerWaalsContact C-N 3.33Å; P706-S708 PolarHBondContact O-N 2.64Å; S708-V710 VanDerWaalsContact C-N 3.32Å; S708-V710 PolarHBondContact O-N 3.26Å; S708-P720 VanDerWaalsContact C-CB 3.49Å; S708-P720 VanDerWaalsContact CB-CB 3.48Å; S708-P720 WeakPolarHBondContact O-CB 2.78Å; S708-P720 WeakPolarHBondContact OG-CA 3.45Å; S708-P720 WeakPolarHBondContact OG-CB 3.45Å; S708-V721 WeakPolarHBondContact CB-O 3.43Å; S708-V721 PolarHBondContact OG-N 3.15Å; S708-V721 PolarHBondContact OG-O 3.41Å
709	A	35.2	Very low	56	Low	44 Å²	44	83 Å²	83	36%	0.364	47%	0.47	S	S	.	.	S	Bend	trans	-89.7	19.6	-177.5	0	0	0	0	0	115.4	Y683 P706	Y683-A709 HydrophobicContact CD2-CB 3.74Å; Y683-A709 HydrophobicContact CE2-CB 3.92Å; P706-A709 PolarHBondContact O-N 3.17Å
710	V	39.4	Very low	54.6	Low	68 Å²	68	83.8 Å²	83.8	41%	0.412	48%	0.476	S	S	.	.	S	Bend	trans	-138.3	78.8	161.8	-179.4	0	0	0	0	106.5	S708 N712	S708-V710 VanDerWaalsContact C-N 3.32Å; S708-V710 PolarHBondContact O-N 3.26Å; V710-N712 PolarHBondContact O-N 3.03Å
711	A	37.7	Very low	53.5	Low	50 Å²	50	81.8 Å²	81.8	41%	0.413	46%	0.463	S	S	.	.			trans	-66.9	117.9	174.1	0	0	0	0	0	108.5	P713	A711-P713 WeakPolarHBondContact O-CD 3.44Å
712	N	40.6	Very low	52.8	Low	117 Å²	117	77.5 Å²	77.5	63%	0.626	45%	0.448	S	S	*	.			trans	-55.9	121.9	147.9	-113.6	-7.3	0	0	0	105.5	V710 E714 E715	V710-N712 PolarHBondContact O-N 3.03Å; N712-E714 PolarHBondContact O-N 3.23Å; N712-E715 PolarHBondContact O-N 3.26Å
713	P	46.8	Very low	52.6	Low	67 Å²	67	74.7 Å²	74.7	44%	0.435	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-66.4	-3.3	-173.8	25.5	-34	0	0	0	114	A711 E715 I716	A711-P713 WeakPolarHBondContact O-CD 3.44Å; P713-E715 VanDerWaalsContact C-N 3.31Å; P713-I716 HydrophobicContact CB-CD1 3.41Å; P713-I716 VanDerWaalsContact CB-CD1 3.41Å; P713-I716 HydrophobicContact CB-CG1 4.29Å; P713-I716 WeakPolarHBondContact O-CD1 3.29Å; P713-I716 VanDerWaalsContact O-CG1 3.25Å; P713-I716 WeakPolarHBondContact O-CG1 3.22Å
714	E	42.8	Very low	53.1	Low	184 Å²	184	74.1 Å²	74.1	86%	0.86	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-77.9	-13.7	176.1	-63.3	-173.8	168.1	0	0	113.2	N712	N712-E714 PolarHBondContact O-N 3.23Å
715	E	45	Very low	53.7	Low	164 Å²	164	72.9 Å²	72.9	77%	0.766	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-107.6	22.6	177.6	-65.1	-178.4	179	0	0	112.9	N712 P713 G717	N712-E715 PolarHBondContact O-N 3.26Å; P713-E715 VanDerWaalsContact C-N 3.31Å; E715-G717 PolarHBondContact O-N 2.7Å
716	I	43.3	Very low	54.8	Low	91 Å²	91	69.4 Å²	69.4	47%	0.467	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	43.8	179.1	-56.8	167.4	0	0	0	111.9	P713	P713-I716 HydrophobicContact CB-CD1 3.41Å; P713-I716 VanDerWaalsContact CB-CD1 3.41Å; P713-I716 HydrophobicContact CB-CG1 4.29Å; P713-I716 WeakPolarHBondContact O-CD1 3.29Å; P713-I716 VanDerWaalsContact O-CG1 3.25Å; P713-I716 WeakPolarHBondContact O-CG1 3.22Å
717	G	44.9	Very low	56.5	Low	74 Å²	74	66.9 Å²	66.9	76%	0.763	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-36.9	167.5	0	0	0	0	0	112.1	E715	E715-G717 PolarHBondContact O-N 2.7Å
718	D	49.2	Very low	58.5	Low	136 Å²	136	58.8 Å²	58.8	73%	0.727	35%	0.349	S	S	*	.	S	Bend	trans	-137.6	116.5	-178.8	-93.7	-33.6	0	0	0	108.7
719	G	55.3	Low	60.6	Low	14 Å²	14	60.6 Å²	60.6	14%	0.144	36%	0.36	C	S	.	.			trans	-52.7	147.1	-175.5	0	0	0	0	0	113.2	V721 S740	G719-V721 PolarHBondContact O-N 2.91Å; G719-S740 PolarHBondContact O-OG 3.11Å
720	P	60.2	Low	62.8	Low	22 Å²	22	60.8 Å²	60.8	14%	0.143	36%	0.359	C	S	.	.			trans	-57.4	126.5	-167	22.3	-34.1	0	0	0	113.6	N679 S708 I722 S740	N679-P720 WeakPolarHBondContact OD1-CD 3.36Å; N679-P720 WeakPolarHBondContact OD1-CG 3.38Å; S708-P720 VanDerWaalsContact C-CB 3.49Å; S708-P720 VanDerWaalsContact CB-CB 3.48Å; S708-P720 WeakPolarHBondContact O-CB 2.78Å; S708-P720 WeakPolarHBondContact OG-CA 3.45Å; S708-P720 WeakPolarHBondContact OG-CB 3.45Å; P720-I722 PolarHBondContact O-N 2.95Å; P720-S740 WeakPolarHBondContact O-CA 3.23Å
721	V	64.6	Low	64.7	Low	44 Å²	44	61 Å²	61	27%	0.267	37%	0.368	S	S	.	.			trans	-88.7	102	178.5	-172.6	0	0	0	0	109.8	S708 G719 V723 R738 A739	S708-V721 WeakPolarHBondContact CB-O 3.43Å; S708-V721 PolarHBondContact OG-N 3.15Å; S708-V721 PolarHBondContact OG-O 3.41Å; G719-V721 PolarHBondContact O-N 2.91Å; V721-V723 HydrophobicContact CG1-CG2 3.94Å; V721-R738 HydrophobicContact CG1-CG 3.69Å; V721-A739 CarbonylContact C-O 3.59Å; V721-A739 VanDerWaalsContact CA-O 3.27Å; V721-A739 WeakPolarHBondContact CA-O 3.26Å
722	I	71.8	Confident	66.9	Low	14 Å²	14	64.5 Å²	64.5	7%	0.072	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.5	173.9	-54.5	172.3	0	0	0	108.5	Y683 M686 P720 R738 A739	Y683-I722 HydrophobicContact CD2-CD1 4.41Å; M686-I722 HydrophobicContact CG-CG2 3.79Å; P720-I722 PolarHBondContact O-N 2.95Å; I722-R738 CarbonylContact O-C 3.59Å; I722-R738 WeakPolarHBondContact O-CA 3.38Å; I722-A739 PolarHBondContact N-O 2.95Å; I722-A739 PolarHBondContact O-N 2.97Å
723	V	77.3	Confident	69.1	Low	41 Å²	41	62 Å²	62	25%	0.248	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.5	176	-173.5	0	0	0	0	110.3	N705 V721 L737 R738	N705-V723 PolarHBondContact N-O 2.83Å; N705-V723 VanDerWaalsContact N-O 3.11Å; V721-V723 HydrophobicContact CG1-CG2 3.94Å; V723-L737 CarbonylContact C-O 3.54Å; V723-L737 VanDerWaalsContact CA-O 3.26Å; V723-L737 WeakPolarHBondContact CA-O 3.38Å; V723-R738 HydrophobicContact CG2-CG 4.29Å
724	K	83	Confident	71	Confident	13 Å²	13	59.7 Å²	59.7	6%	0.057	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.9	174.2	-64.7	-167.3	178.5	-179.3	0	110.6	M686 D690 F726 C736 L737	M686-K724 HydrophobicContact CG-CD 3.68Å; M686-K724 HydrophobicContact CG-CG 4.12Å; M686-K724 PolarHBondContact O-NZ 3.33Å; M686-K724 HydrophobicContact SD-CB 4.44Å; M686-K724 HydrophobicContact SD-CD 3.96Å; M686-K724 HydrophobicContact SD-CG 4.21Å; D690-K724 HydrophobicContact CB-CD 3.89Å; D690-K724 VanDerWaalsContact CG-NZ 3.3Å; D690-K724 IonicContact OD2-NZ 3.67Å; D690-K724 PolarHBondContact OD2-NZ 2.97Å; K724-F726 HydrophobicContact CB-CE2 3.61Å; K724-F726 HydrophobicContact CB-CZ 3.98Å; K724-F726 HydrophobicContact CD-CE2 4.45Å; K724-F726 HydrophobicContact CD-CZ 4.11Å; K724-C736 CarbonylContact O-C 3.51Å; K724-C736 WeakPolarHBondContact O-CA 3.35Å; K724-L737 PolarHBondContact N-O 3.42Å; K724-L737 PolarHBondContact O-N 3.41Å
725	M	85.5	Confident	73.1	Confident	45 Å²	45	51 Å²	51	22%	0.222	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.6	177.6	-68.6	-179.2	115	0	0	111.3	L702 G703 I735 C736 F772	L702-M725 HydrophobicContact CB-CB 4.36Å; L702-M725 PolarHBondContact N-O 3.28Å; G703-M725 PolarHBondContact N-O 2.82Å; G703-M725 PolarHBondContact O-N 3.33Å; M725-I735 CarbonylContact C-O 3.54Å; M725-I735 VanDerWaalsContact CA-O 3.27Å; M725-I735 WeakPolarHBondContact CA-O 3.15Å; M725-C736 HydrophobicContact CE-CB 4.06Å; M725-C736 HydrophobicContact CG-CB 4.06Å; M725-F772 HydrophobicContact CE-CE1 4.22Å; M725-F772 HydrophobicContact CE-CE2 4.25Å; M725-F772 HydrophobicContact CE-CZ 3.57Å
726	F	88.8	Confident	75.1	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.3	-179.1	-57.5	-86.4	0	0	0	110.9	D690 A693 I694 W699 V700 R701 K724 L734 I735 L737	D690-F726 HydrophobicContact CB-CZ 4.02Å; D690-F726 VanDerWaalsContact OD1-CE1 3.29Å; D690-F726 WeakPolarHBondContact OD1-CE1 3.24Å; D690-F726 WeakPolarHBondContact OD1-CZ 3.47Å; A693-F726 HydrophobicContact CB-CD1 3.76Å; A693-F726 HydrophobicContact CB-CE1 3.7Å; A693-F726 HydrophobicContact CB-CG 4.32Å; A693-F726 HydrophobicContact CB-CZ 4.22Å; I694-F726 HydrophobicContact CD1-CE1 4.49Å; I694-F726 HydrophobicContact CG1-CE1 4.33Å; W699-F726 HydrophobicContact CB-CB 4.41Å; W699-F726 HydrophobicContact CE3-CB 3.66Å; W699-F726 HydrophobicContact CZ3-CB 4.41Å; V700-F726 CarbonylContact O-C 3.53Å; V700-F726 WeakPolarHBondContact O-CA 3.48Å; R701-F726 HydrophobicContact CB-CD1 4.27Å; R701-F726 HydrophobicContact CB-CE1 4.25Å; R701-F726 HydrophobicContact CG-CD1 4.37Å; R701-F726 HydrophobicContact CG-CE1 4.09Å; K724-F726 HydrophobicContact CB-CE2 3.61Å; K724-F726 HydrophobicContact CB-CZ 3.98Å; K724-F726 HydrophobicContact CD-CE2 4.45Å; K724-F726 HydrophobicContact CD-CZ 4.11Å; F726-L734 CarbonylContact O-C 3.47Å; F726-L734 WeakPolarHBondContact O-CA 3.28Å; F726-I735 PolarHBondContact N-O 3.01Å; F726-I735 PolarHBondContact O-N 2.94Å; F726-L737 HydrophobicContact CD2-CD1 4.35Å; F726-L737 HydrophobicContact CE2-CD1 3.86Å
727	A	87.4	Confident	77.1	Confident	14 Å²	14	39.7 Å²	39.7	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.4	169.8	0	0	0	0	0	110.5	W699 V700 L702 L734	W699-A727 WeakPolarHBondContact CA-O 3.41Å; V700-A727 HydrophobicContact CB-CB 4.5Å; V700-A727 PolarHBondContact N-O 3.14Å; V700-A727 PolarHBondContact O-N 3.39Å; L702-A727 HydrophobicContact CD1-CB 3.95Å; L702-A727 HydrophobicContact CD2-CB 4.19Å; L702-A727 HydrophobicContact CG-CB 3.97Å; A727-L734 HydrophobicContact CB-CD2 3.83Å
728	S	89.2	Confident	78.8	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.028	23%	0.229	C	C	.	.			trans	-65	150.7	178	73.4	0	0	0	0	111	S730 A731 K732 Y733 L796	S728-S730 PolarHBondContact O-N 3.29Å; S728-S730 PolarHBondContact OG-OG 2.87Å; S728-A731 WeakPolarHBondContact O-CA 3.13Å; S728-A731 PolarHBondContact O-N 3.01Å; S728-A731 PolarHBondContact OG-N 3.14Å; S728-K732 PolarHBondContact OG-N 3Å; S728-Y733 PolarHBondContact N-O 3.25Å; S728-Y733 PolarHBondContact OG-N 3.09Å; S728-Y733 VanDerWaalsContact OG-N 3.16Å; S728-L796 WeakPolarHBondContact CB-O 3.5Å
729	P	84.3	Confident	80.2	Confident	67 Å²	67	34.9 Å²	34.9	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.1	173.8	-23.6	34.6	0	0	0	112.8	L697 A731 S797	L697-P729 WeakPolarHBondContact O-CG 3.07Å; P729-A731 VanDerWaalsContact C-N 3.27Å; P729-A731 PolarHBondContact O-N 3.29Å; P729-S797 WeakPolarHBondContact CG-OG 3.3Å
730	S	82.7	Confident	81	Confident	48 Å²	48	34.8 Å²	34.8	34%	0.336	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.5	173.7	50.7	0	0	0	0	114.9	S728 K732 S797	S728-S730 PolarHBondContact O-N 3.29Å; S728-S730 PolarHBondContact OG-OG 2.87Å; S730-K732 PolarHBondContact O-N 3.14Å; S730-K732 VanDerWaalsContact O-N 3.08Å; S730-S797 WeakPolarHBondContact CB-O 3.37Å; S730-S797 PolarHBondContact OG-O 3.35Å
731	A	78.6	Confident	81.2	Confident	73 Å²	73	35.8 Å²	35.8	60%	0.603	20%	0.203	S	C	*	.	S	Bend	trans	54.7	19.2	-174.2	0	0	0	0	0	115	S728 P729 C752	S728-A731 WeakPolarHBondContact O-CA 3.13Å; S728-A731 PolarHBondContact O-N 3.01Å; S728-A731 PolarHBondContact OG-N 3.14Å; P729-A731 VanDerWaalsContact C-N 3.27Å; P729-A731 PolarHBondContact O-N 3.29Å; A731-C752 WeakPolarHBondContact O-CB 3.41Å
732	K	83.7	Confident	81.2	Confident	123 Å²	123	39 Å²	39	54%	0.535	22%	0.222	S	C	.	.	S	Bend	trans	-94.7	-22.3	-179.1	-72.2	177.3	-174.8	173.3	0	113.1	S728 S730 R751 C752	S728-K732 PolarHBondContact OG-N 3Å; S730-K732 PolarHBondContact O-N 3.14Å; S730-K732 VanDerWaalsContact O-N 3.08Å; K732-R751 CarbonylContact O-C 3.49Å; K732-R751 WeakPolarHBondContact O-CA 3.25Å; K732-C752 PolarHBondContact O-N 3.38Å
733	Y	86.9	Confident	80.6	Confident	65 Å²	65	42.1 Å²	42.1	26%	0.255	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.1	-173.6	-60.6	-79.3	0	0	0	111.6	S728 V749 S750 R751 L796	S728-Y733 PolarHBondContact N-O 3.25Å; S728-Y733 PolarHBondContact OG-N 3.09Å; S728-Y733 VanDerWaalsContact OG-N 3.16Å; Y733-V749 HydrophobicContact CD1-CG1 4.32Å; Y733-S750 CarbonylContact C-O 3.56Å; Y733-S750 WeakPolarHBondContact CA-O 3.38Å; Y733-R751 HydrophobicContact CD1-CB 4.31Å; Y733-R751 HydrophobicContact CD1-CG 4.41Å; Y733-R751 HydrophobicContact CE1-CB 4.27Å; Y733-R751 HydrophobicContact CE1-CG 4.09Å; Y733-L796 HydrophobicContact CD1-CD2 4.19Å; Y733-L796 HydrophobicContact CD2-CB 4.28Å; Y733-L796 HydrophobicContact CD2-CD2 4.25Å; Y733-L796 WeakPolarHBondContact CD2-O 3.4Å; Y733-L796 HydrophobicContact CE1-CD2 4.14Å; Y733-L796 HydrophobicContact CE2-CD2 4.21Å; Y733-L796 HydrophobicContact CG-CB 4.43Å; Y733-L796 HydrophobicContact CG-CD2 4.24Å
734	L	86.4	Confident	80.3	Confident	18 Å²	18	46.7 Å²	46.7	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133	171.3	-69	170	0	0	0	108.6	L702 F726 A727 V749 S750 C752 F772	L702-L734 HydrophobicContact CD1-CD2 3.27Å; F726-L734 CarbonylContact O-C 3.47Å; F726-L734 WeakPolarHBondContact O-CA 3.28Å; A727-L734 HydrophobicContact CB-CD2 3.83Å; L734-V749 CarbonylContact O-C 3.52Å; L734-V749 WeakPolarHBondContact O-CA 3.43Å; L734-S750 PolarHBondContact N-O 2.89Å; L734-S750 PolarHBondContact O-N 2.91Å; L734-C752 WeakPolarHBondContact CD1-SG 3.47Å; L734-C752 WeakPolarHBondContact CG-SG 3.27Å; L734-F772 HydrophobicContact CB-CE1 4.47Å
735	I	87.7	Confident	80	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.7	175.4	-64.3	-178.1	0	0	0	108.7	W699 M725 F726 L737 M747 F748 V749 L792 M793 L796	W699-I735 HydrophobicContact CE3-CD1 4.22Å; W699-I735 HydrophobicContact CE3-CG1 4.5Å; W699-I735 HydrophobicContact CH2-CD1 3.16Å; W699-I735 HydrophobicContact CH2-CG1 3.65Å; W699-I735 HydrophobicContact CZ2-CD1 3.94Å; W699-I735 HydrophobicContact CZ3-CB 4.04Å; W699-I735 HydrophobicContact CZ3-CD1 3.33Å; W699-I735 HydrophobicContact CZ3-CG1 3.46Å; W699-I735 VanDerWaalsContact CZ3-CG1 3.46Å; M725-I735 CarbonylContact C-O 3.54Å; M725-I735 VanDerWaalsContact CA-O 3.27Å; M725-I735 WeakPolarHBondContact CA-O 3.15Å; F726-I735 PolarHBondContact N-O 3.01Å; F726-I735 PolarHBondContact O-N 2.94Å; I735-L737 HydrophobicContact CG2-CD2 4.31Å; I735-L737 HydrophobicContact CG2-CG 4.18Å; I735-M747 HydrophobicContact CD1-SD 4.42Å; I735-M747 HydrophobicContact CG2-CG 3.64Å; I735-M747 HydrophobicContact CG2-SD 3.82Å; I735-F748 CarbonylContact C-O 3.26Å; I735-F748 WeakPolarHBondContact CA-O 3.17Å; I735-V749 HydrophobicContact CG1-CG2 4.22Å; I735-L792 HydrophobicContact CD1-CD2 4.11Å; I735-M793 HydrophobicContact CD1-CG 3.71Å; I735-M793 HydrophobicContact CD1-SD 4.29Å; I735-L796 HydrophobicContact CD1-CD1 4.07Å; I735-L796 HydrophobicContact CG1-CD1 4.41Å
736	C	86	Confident	79.9	Confident	18 Å²	18	49.1 Å²	49.1	12%	0.122	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.8	169.5	-179.1	0	0	0	0	109.1	K724 M725 F748 F772	K724-C736 CarbonylContact O-C 3.51Å; K724-C736 WeakPolarHBondContact O-CA 3.35Å; M725-C736 HydrophobicContact CE-CB 4.06Å; M725-C736 HydrophobicContact CG-CB 4.06Å; C736-F748 HydrophobicContact CB-CB 4.25Å; C736-F748 PolarHBondContact N-O 3.49Å; C736-F748 PolarHBondContact O-N 2.88Å; C736-F772 HydrophobicContact CB-CD1 4.26Å; C736-F772 HydrophobicContact CB-CE1 3.9Å
737	L	85.3	Confident	79.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	174.2	-66.1	174.4	0	0	0	109.1	M686 I689 V723 K724 F726 I735 R746 M747 M793	M686-L737 HydrophobicContact CE-CB 3.92Å; M686-L737 HydrophobicContact SD-CB 3.94Å; M686-L737 HydrophobicContact SD-CD1 3.95Å; I689-L737 HydrophobicContact CB-CD1 4.33Å; I689-L737 HydrophobicContact CD1-CD1 4.43Å; I689-L737 HydrophobicContact CG2-CD1 3.34Å; V723-L737 CarbonylContact C-O 3.54Å; V723-L737 VanDerWaalsContact CA-O 3.26Å; V723-L737 WeakPolarHBondContact CA-O 3.38Å; K724-L737 PolarHBondContact N-O 3.42Å; K724-L737 PolarHBondContact O-N 3.41Å; F726-L737 HydrophobicContact CD2-CD1 4.35Å; F726-L737 HydrophobicContact CE2-CD1 3.86Å; I735-L737 HydrophobicContact CG2-CD2 4.31Å; I735-L737 HydrophobicContact CG2-CG 4.18Å; L737-R746 WeakPolarHBondContact CA-O 3.06Å; L737-M747 HydrophobicContact CD2-CB 3.62Å; L737-M747 HydrophobicContact CD2-CG 3.52Å; L737-M747 HydrophobicContact CD2-SD 3.94Å; L737-M793 HydrophobicContact CD1-CE 4.14Å
738	R	82.1	Confident	79.5	Confident	107 Å²	107	50.6 Å²	50.6	40%	0.404	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	176.6	-178.7	-179.6	176.6	-179.6	-0.6	109.3	V721 I722 V723 R746 F748	V721-R738 HydrophobicContact CG1-CG 3.69Å; I722-R738 CarbonylContact O-C 3.59Å; I722-R738 WeakPolarHBondContact O-CA 3.38Å; V723-R738 HydrophobicContact CG2-CG 4.29Å; R738-R746 PolarHBondContact N-O 3.2Å; R738-R746 PolarHBondContact O-N 2.95Å; R738-F748 HydrophobicContact CB-CE2 4.16Å
739	A	77.6	Confident	79.4	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.5	178.4	0	0	0	0	0	111.2	M686 V721 I722 I745	M686-A739 HydrophobicContact CE-CB 3.51Å; V721-A739 CarbonylContact C-O 3.59Å; V721-A739 VanDerWaalsContact CA-O 3.27Å; V721-A739 WeakPolarHBondContact CA-O 3.26Å; I722-A739 PolarHBondContact N-O 2.95Å; I722-A739 PolarHBondContact O-N 2.97Å; A739-I745 HydrophobicContact CB-CB 4.45Å; A739-I745 HydrophobicContact CB-CG1 3.75Å
740	S	72	Confident	79.4	Confident	11 Å²	11	48.5 Å²	48.5	8%	0.077	26%	0.257	C	S	.	.			trans	-147.1	157.8	172.7	172.5	0	0	0	0	109.9	L682 G719 P720 V742 M743	L682-S740 VanDerWaalsContact CD1-O 3.23Å; L682-S740 WeakPolarHBondContact CD1-O 3.31Å; G719-S740 PolarHBondContact O-OG 3.11Å; P720-S740 WeakPolarHBondContact O-CA 3.23Å; S740-V742 PolarHBondContact O-N 2.93Å; S740-V742 PolarHBondContact OG-N 2.82Å; S740-M743 CarbonylContact C-O 3.59Å; S740-M743 PolarHBondContact N-O 3.49Å; S740-M743 CarbonylContact O-C 3.58Å; S740-M743 VanDerWaalsContact O-C 3.26Å; S740-M743 PolarHBondContact O-N 3.3Å
741	A	65.1	Low	79.3	Confident	44 Å²	44	55.3 Å²	55.3	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-56.4	-31.5	173.4	0	0	0	0	0	113.4	N679 L682	N679-A741 WeakPolarHBondContact OD1-CB 3.4Å; L682-A741 VanDerWaalsContact CD1-CA 3.43Å; L682-A741 HydrophobicContact CD1-CB 4.33Å
742	V	64.1	Low	78.9	Confident	110 Å²	110	53.5 Å²	53.5	67%	0.667	26%	0.258	S	S	*	.	S	Bend	trans	-89.2	-26.9	-179.3	-173.8	0	0	0	0	111.6	S740	S740-V742 PolarHBondContact O-N 2.93Å; S740-V742 PolarHBondContact OG-N 2.82Å
743	M	59.5	Low	77.7	Confident	80 Å²	80	51.6 Å²	51.6	39%	0.394	26%	0.26	S	S	.	.	S	Bend	trans	-120.2	116	-179.2	-63	-163.7	179.3	0	0	110.5	S740	S740-M743 CarbonylContact C-O 3.59Å; S740-M743 PolarHBondContact N-O 3.49Å; S740-M743 CarbonylContact O-C 3.58Å; S740-M743 VanDerWaalsContact O-C 3.26Å; S740-M743 PolarHBondContact O-N 3.3Å
744	D	70.9	Confident	76	Confident	138 Å²	138	54.2 Å²	54.2	74%	0.738	29%	0.285	S	S	*	.			trans	-46.1	155.8	169.3	-73.9	-27.7	0	0	0	112.1	R746	D744-R746 PolarHBondContact O-N 2.84Å; D744-R746 VanDerWaalsContact O-N 3.08Å
745	I	77.2	Confident	73.8	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.051	31%	0.309	C	S	.	.			trans	-56.8	117.7	-178.8	-59.7	165.8	0	0	0	110	L682 Q685 M686 A739 L785	L682-I745 HydrophobicContact CD2-CD1 4.47Å; L682-I745 HydrophobicContact CD2-CG1 4.18Å; Q685-I745 HydrophobicContact CB-CD1 3.78Å; Q685-I745 HydrophobicContact CG-CD1 4.47Å; Q685-I745 VanDerWaalsContact OE1-CD1 3.25Å; M686-I745 HydrophobicContact CE-CG1 4.42Å; M686-I745 HydrophobicContact CE-CG2 4.01Å; A739-I745 HydrophobicContact CB-CB 4.45Å; A739-I745 HydrophobicContact CB-CG1 3.75Å; I745-L785 HydrophobicContact CB-CD1 3.98Å; I745-L785 HydrophobicContact CB-CD2 4.04Å; I745-L785 HydrophobicContact CD1-CD1 4.32Å; I745-L785 HydrophobicContact CD1-CD2 3.65Å; I745-L785 HydrophobicContact CG1-CD2 4.43Å; I745-L785 HydrophobicContact CG2-CD2 4.06Å
746	R	81.9	Confident	71.4	Confident	99 Å²	99	65 Å²	65	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.5	174.6	-68.7	171.5	-175.9	-138	14.5	110.5	L737 R738 D744 F748 E774	L737-R746 WeakPolarHBondContact CA-O 3.06Å; R738-R746 PolarHBondContact N-O 3.2Å; R738-R746 PolarHBondContact O-N 2.95Å; D744-R746 PolarHBondContact O-N 2.84Å; D744-R746 VanDerWaalsContact O-N 3.08Å; R746-F748 HydrophobicContact CB-CE2 3.91Å; R746-F748 HydrophobicContact CB-CZ 4.22Å; R746-E774 WeakPolarHBondContact CD-OE1 3.48Å; R746-E774 WeakPolarHBondContact CG-OE1 3.21Å; R746-E774 IonicContact CZ-OE1 3.01Å; R746-E774 IonicContact NE-OE1 3.69Å; R746-E774 IonicContact NH1-OE1 3.64Å; R746-E774 PolarHBondContact NH1-OE1 3.08Å; R746-E774 IonicContact NH1-OE2 3.95Å
747	M	84.4	Confident	69.1	Low	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.9	178.7	-174	174	76.9	0	0	110.6	I735 L737 V749 E774 V775 L777 V789 L792	I735-M747 HydrophobicContact CD1-SD 4.42Å; I735-M747 HydrophobicContact CG2-CG 3.64Å; I735-M747 HydrophobicContact CG2-SD 3.82Å; L737-M747 HydrophobicContact CD2-CB 3.62Å; L737-M747 HydrophobicContact CD2-CG 3.52Å; L737-M747 HydrophobicContact CD2-SD 3.94Å; M747-V749 HydrophobicContact CE-CG2 4.05Å; M747-V749 HydrophobicContact CG-CG2 4.48Å; M747-E774 WeakPolarHBondContact O-CA 3.27Å; M747-V775 HydrophobicContact CE-CB 3.8Å; M747-V775 HydrophobicContact CE-CG1 3.97Å; M747-V775 HydrophobicContact CE-CG2 3.84Å; M747-V775 PolarHBondContact O-N 3.31Å; M747-L777 HydrophobicContact CB-CD1 4.45Å; M747-L777 HydrophobicContact CE-CD2 4.2Å; M747-V789 HydrophobicContact SD-CG1 4.4Å; M747-L792 HydrophobicContact CE-CB 4.17Å; M747-L792 HydrophobicContact CE-CD1 3.31Å; M747-L792 HydrophobicContact CE-CD2 3.16Å; M747-L792 HydrophobicContact CE-CG 3.66Å; M747-L792 HydrophobicContact SD-CD2 3.95Å
748	F	84.7	Confident	66.6	Low	45 Å²	45	82 Å²	82	20%	0.197	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132	177	-57.2	-90	0	0	0	109.3	I735 C736 R738 R746 F772 R773 E774	I735-F748 CarbonylContact C-O 3.26Å; I735-F748 WeakPolarHBondContact CA-O 3.17Å; C736-F748 HydrophobicContact CB-CB 4.25Å; C736-F748 PolarHBondContact N-O 3.49Å; C736-F748 PolarHBondContact O-N 2.88Å; R738-F748 HydrophobicContact CB-CE2 4.16Å; R746-F748 HydrophobicContact CB-CE2 3.91Å; R746-F748 HydrophobicContact CB-CZ 4.22Å; F748-F772 HydrophobicContact CB-CB 4.1Å; F748-F772 HydrophobicContact CB-CD1 3.85Å; F748-F772 HydrophobicContact CB-CG 4.36Å; F748-R773 CarbonylContact C-O 3.57Å; F748-R773 WeakPolarHBondContact CA-O 3.49Å; F748-E774 HydrophobicContact CD1-CB 3.79Å; F748-E774 HydrophobicContact CD1-CG 4.21Å; F748-E774 HydrophobicContact CE1-CB 3.65Å; F748-E774 HydrophobicContact CE1-CG 3.79Å; F748-E774 HydrophobicContact CZ-CG 4.24Å
749	V	85.6	Confident	64.2	Low	20 Å²	20	86.4 Å²	86.4	12%	0.121	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	-179.7	-175.4	0	0	0	0	109.3	Y733 L734 I735 M747 R773 V775 L792 L796	Y733-V749 HydrophobicContact CD1-CG1 4.32Å; L734-V749 CarbonylContact O-C 3.52Å; L734-V749 WeakPolarHBondContact O-CA 3.43Å; I735-V749 HydrophobicContact CG1-CG2 4.22Å; M747-V749 HydrophobicContact CE-CG2 4.05Å; M747-V749 HydrophobicContact CG-CG2 4.48Å; V749-R773 PolarHBondContact N-O 3.36Å; V749-R773 PolarHBondContact O-N 2.91Å; V749-V775 HydrophobicContact CB-CG2 4.41Å; V749-V775 HydrophobicContact CG2-CG2 3.6Å; V749-L792 HydrophobicContact CG2-CD2 4.35Å; V749-L796 HydrophobicContact CG1-CD1 3.62Å; V749-L796 HydrophobicContact CG2-CD1 4.08Å
750	S	85	Confident	62.1	Low	6 Å²	6	91.9 Å²	91.9	4%	0.042	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.8	170.1	-169.3	0	0	0	0	110.4	Y733 L734 D771	Y733-S750 CarbonylContact C-O 3.56Å; Y733-S750 WeakPolarHBondContact CA-O 3.38Å; L734-S750 PolarHBondContact N-O 2.89Å; L734-S750 PolarHBondContact O-N 2.91Å; S750-D771 PolarHBondContact OG-O 2.8Å
751	R	81.7	Confident	60.4	Low	191 Å²	191	97.1 Å²	97.1	72%	0.721	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	119.5	177.5	-175.8	179.2	178.6	174.9	-0.6	108.8	K732 Y733 S753	K732-R751 CarbonylContact O-C 3.49Å; K732-R751 WeakPolarHBondContact O-CA 3.25Å; Y733-R751 HydrophobicContact CD1-CB 4.31Å; Y733-R751 HydrophobicContact CD1-CG 4.41Å; Y733-R751 HydrophobicContact CE1-CB 4.27Å; Y733-R751 HydrophobicContact CE1-CG 4.09Å; R751-S753 PolarHBondContact O-N 3.45Å
752	C	68.5	Low	58.7	Low	36 Å²	36	100.9 Å²	100.9	24%	0.243	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-71.7	119.8	171.4	-69.6	0	0	0	0	109.7	A731 K732 L734	A731-C752 WeakPolarHBondContact O-CB 3.41Å; K732-C752 PolarHBondContact O-N 3.38Å; L734-C752 WeakPolarHBondContact CD1-SG 3.47Å; L734-C752 WeakPolarHBondContact CG-SG 3.27Å
753	S	59.3	Low	57.3	Low	83 Å²	83	104.3 Å²	104.3	58%	0.58	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-80.6	135.7	164.3	122	0	0	0	0	108.4	R751 C755	R751-S753 PolarHBondContact O-N 3.45Å; S753-C755 PolarHBondContact O-N 2.93Å; S753-C755 PolarHBondContact OG-N 3.46Å; S753-C755 PolarHBondContact OG-O 3.26Å
754	P	51.9	Low	56.2	Low	119 Å²	119	109.6 Å²	109.6	77%	0.773	54%	0.544	S	S	*	.	S	Bend	trans	-73.4	13.1	179.9	28	-32.4	0	0	0	114.6
755	C	40	Very low	54.5	Low	89 Å²	89	109 Å²	109	60%	0.601	54%	0.541	S	S	*	.			trans	-123.1	92.3	-177.4	-60.9	0	0	0	0	109.7	S753	S753-C755 PolarHBondContact O-N 2.93Å; S753-C755 PolarHBondContact OG-N 3.46Å; S753-C755 PolarHBondContact OG-O 3.26Å
756	D	37.3	Very low	52.7	Low	158 Å²	158	114.2 Å²	114.2	85%	0.845	57%	0.568	S	S	*	*			trans	170.2	61.1	147.3	-82.9	-16.7	0	0	0	109.8	Q758	D756-Q758 PolarHBondContact O-N 2.81Å
757	Y	36.4	Very low	50.7	Low	209 Å²	209	116.1 Å²	116.1	82%	0.82	58%	0.579	S	S	*	*			trans	-95.1	70.7	163.5	-77.7	-82.6	0	0	0	109
758	Q	32.5	Very low	48.7	Very low	164 Å²	164	120.7 Å²	120.7	77%	0.766	61%	0.611	S	S	*	*			trans	-98.5	112.3	153.5	-76.7	-175.6	-4.8	0	0	106.9	D756 I760	D756-Q758 PolarHBondContact O-N 2.81Å; Q758-I760 VanDerWaalsContact C-N 3.26Å; Q758-I760 PolarHBondContact O-N 2.82Å
759	F	32.1	Very low	46.8	Very low	201 Å²	201	125.9 Å²	125.9	88%	0.882	64%	0.641	S	S	*	*			trans	-59.2	89.5	169.8	-79.9	-93.7	0	0	0	109
760	I	33.3	Very low	45.4	Very low	116 Å²	116	127.8 Å²	127.8	60%	0.595	65%	0.649	S	S	*	*			trans	-97.6	112.3	164.8	-59.1	176.8	0	0	0	106.3	Q758 D762	Q758-I760 VanDerWaalsContact C-N 3.26Å; Q758-I760 PolarHBondContact O-N 2.82Å; I760-D762 HydrophobicContact CG2-CB 4.44Å; I760-D762 PolarHBondContact O-N 2.82Å
761	T	35.9	Very low	44.4	Very low	121 Å²	121	133.8 Å²	133.8	74%	0.742	68%	0.68	S	S	*	*			trans	-71	57.5	177.7	47.8	0	0	0	0	111.6
762	D	30.2	Very low	43.9	Very low	124 Å²	124	127.8 Å²	127.8	66%	0.663	66%	0.659	S	S	*	*			trans	-135.2	98.8	168.9	-90.1	-36.7	0	0	0	109.7	I760 K764	I760-D762 HydrophobicContact CG2-CB 4.44Å; I760-D762 PolarHBondContact O-N 2.82Å; D762-K764 PolarHBondContact O-N 2.79Å
763	H	35.5	Very low	44.4	Very low	182 Å²	182	135.1 Å²	135.1	84%	0.843	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	28.4	-167.3	-79.5	-69.8	0	0	0	115.9
764	K	36.5	Very low	45.5	Very low	190 Å²	190	135.9 Å²	135.9	83%	0.826	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-21.4	-174.4	-72	-171.2	175	-178.8	0	117.4	D762	D762-K764 PolarHBondContact O-N 2.79Å
765	D	34.7	Very low	46.9	Very low	126 Å²	126	132 Å²	132	67%	0.674	65%	0.65	S	S	*	*	S	Bend	trans	-120.2	3.3	-166.9	-67.9	-28.4	0	0	0	117.2	F767 S768	D765-F767 PolarHBondContact O-N 2.99Å; D765-F767 VanDerWaalsContact O-N 3.07Å; D765-S768 PolarHBondContact O-N 2.82Å; D765-S768 PolarHBondContact O-OG 2.9Å
766	I	38.5	Very low	48.7	Very low	120 Å²	120	131.2 Å²	131.2	62%	0.615	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-18.5	-174.4	-58.5	173.4	0	0	0	113.5
767	F	41.5	Very low	50.5	Low	138 Å²	138	124.5 Å²	124.5	61%	0.605	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-6.3	-177.7	-71.3	-77.1	0	0	0	115.3	D765 N769	D765-F767 PolarHBondContact O-N 2.99Å; D765-F767 VanDerWaalsContact O-N 3.07Å; F767-N769 VanDerWaalsContact C-N 3.29Å; F767-N769 PolarHBondContact O-N 3.2Å
768	S	42	Very low	52.1	Low	97 Å²	97	118.9 Å²	118.9	68%	0.678	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-15.5	-174.9	57.3	0	0	0	0	114.6	D765	D765-S768 PolarHBondContact O-N 2.82Å; D765-S768 PolarHBondContact O-OG 2.9Å
769	N	45.2	Very low	53.9	Low	154 Å²	154	118.6 Å²	118.6	82%	0.824	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	16.1	-169.4	-109.6	-0.1	0	0	0	115.4	F767	F767-N769 VanDerWaalsContact C-N 3.29Å; F767-N769 PolarHBondContact O-N 3.2Å
770	Q	55.2	Low	55.7	Low	60 Å²	60	111.1 Å²	111.1	28%	0.28	57%	0.568	S	S	.	*			trans	-104.8	114.8	177.8	-70.8	-175.8	-0.6	0	0	111.7	F772	Q770-F772 HydrophobicContact CB-CD2 4.37Å; Q770-F772 HydrophobicContact CB-CE2 4.02Å; Q770-F772 WeakPolarHBondContact O-CD2 3.46Å; Q770-F772 PolarHBondContact O-N 3.2Å
771	D	64	Low	57.3	Low	132 Å²	132	116.3 Å²	116.3	71%	0.706	58%	0.581	S	S	*	*			trans	-68.5	95.5	174.7	-76.7	-14.9	0	0	0	110.4	S750	S750-D771 PolarHBondContact OG-O 2.8Å
772	F	72	Confident	58.8	Low	64 Å²	64	112.3 Å²	112.3	28%	0.281	56%	0.564	S	S	.	*			trans	-80.3	123.6	169.3	-80.4	-81.3	0	0	0	110.2	M725 L734 C736 F748 Q770	M725-F772 HydrophobicContact CE-CE1 4.22Å; M725-F772 HydrophobicContact CE-CE2 4.25Å; M725-F772 HydrophobicContact CE-CZ 3.57Å; L734-F772 HydrophobicContact CB-CE1 4.47Å; C736-F772 HydrophobicContact CB-CD1 4.26Å; C736-F772 HydrophobicContact CB-CE1 3.9Å; F748-F772 HydrophobicContact CB-CB 4.1Å; F748-F772 HydrophobicContact CB-CD1 3.85Å; F748-F772 HydrophobicContact CB-CG 4.36Å; Q770-F772 HydrophobicContact CB-CD2 4.37Å; Q770-F772 HydrophobicContact CB-CE2 4.02Å; Q770-F772 WeakPolarHBondContact O-CD2 3.46Å; Q770-F772 PolarHBondContact O-N 3.2Å
773	R	79.3	Confident	60.8	Low	191 Å²	191	116.2 Å²	116.2	72%	0.721	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	128.2	173.8	-64	-173.9	-179.1	-167.1	-0.9	110.5	F748 V749	F748-R773 CarbonylContact C-O 3.57Å; F748-R773 WeakPolarHBondContact CA-O 3.49Å; V749-R773 PolarHBondContact N-O 3.36Å; V749-R773 PolarHBondContact O-N 2.91Å
774	E	82	Confident	62.7	Low	99 Å²	99	108 Å²	108	46%	0.463	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.3	175.2	-168.8	170.7	-169	0	0	110.4	R746 M747 F748	R746-E774 WeakPolarHBondContact CD-OE1 3.48Å; R746-E774 WeakPolarHBondContact CG-OE1 3.21Å; R746-E774 IonicContact CZ-OE1 3.01Å; R746-E774 IonicContact NE-OE1 3.69Å; R746-E774 IonicContact NH1-OE1 3.64Å; R746-E774 PolarHBondContact NH1-OE1 3.08Å; R746-E774 IonicContact NH1-OE2 3.95Å; M747-E774 WeakPolarHBondContact O-CA 3.27Å; F748-E774 HydrophobicContact CD1-CB 3.79Å; F748-E774 HydrophobicContact CD1-CG 4.21Å; F748-E774 HydrophobicContact CE1-CB 3.65Å; F748-E774 HydrophobicContact CE1-CG 3.79Å; F748-E774 HydrophobicContact CZ-CG 4.24Å
775	V	80.3	Confident	64.7	Low	37 Å²	37	101 Å²	101	22%	0.224	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.2	176.4	179.5	0	0	0	0	109.3	M747 V749 L777 M780 L792	M747-V775 HydrophobicContact CE-CB 3.8Å; M747-V775 HydrophobicContact CE-CG1 3.97Å; M747-V775 HydrophobicContact CE-CG2 3.84Å; M747-V775 PolarHBondContact O-N 3.31Å; V749-V775 HydrophobicContact CB-CG2 4.41Å; V749-V775 HydrophobicContact CG2-CG2 3.6Å; V775-L777 HydrophobicContact CG1-CD2 4.45Å; V775-L777 PolarHBondContact O-N 3.45Å; V775-M780 HydrophobicContact CG1-SD 4.27Å; V775-L792 HydrophobicContact CG1-CD1 3.69Å; V775-L792 HydrophobicContact CG2-CD1 4.37Å
776	S	78.5	Confident	67	Low	73 Å²	73	95.1 Å²	95.1	51%	0.51	48%	0.478	S	S	.	.			trans	-72.7	87	175.3	-56.8	0	0	0	0	111.6	S778 H779	S776-S778 PolarHBondContact O-N 3.18Å; S776-H779 PolarHBondContact O-N 3.16Å; S776-H779 VanDerWaalsContact O-N 3.15Å
777	L	74.1	Confident	69.1	Low	17 Å²	17	90.5 Å²	90.5	9%	0.089	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-58	-16.8	179.2	-64	174.4	0	0	0	113.9	M747 V775 H779 M780 L785 K788 V789	M747-L777 HydrophobicContact CB-CD1 4.45Å; M747-L777 HydrophobicContact CE-CD2 4.2Å; V775-L777 HydrophobicContact CG1-CD2 4.45Å; V775-L777 PolarHBondContact O-N 3.45Å; L777-H779 VanDerWaalsContact C-N 3.29Å; L777-H779 PolarHBondContact O-N 3.31Å; L777-M780 HydrophobicContact CD2-SD 4.3Å; L777-M780 PolarHBondContact O-N 2.88Å; L777-L785 HydrophobicContact CD1-CD1 4.35Å; L777-L785 HydrophobicContact CD1-CG 4.36Å; L777-K788 VanDerWaalsContact O-CD 3.3Å; L777-K788 WeakPolarHBondContact O-CD 3.34Å; L777-K788 PolarHBondContact O-NZ 2.84Å; L777-V789 HydrophobicContact CD2-CG2 4.14Å; L777-V789 HydrophobicContact CD1-CG2 4.13Å
778	S	70.6	Confident	71.2	Confident	90 Å²	90	85.8 Å²	85.8	63%	0.629	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-61.9	-33.8	174.9	50	0	0	0	0	113.2	S776	S776-S778 PolarHBondContact O-N 3.18Å
779	H	70.2	Confident	73.3	Confident	158 Å²	158	81.2 Å²	81.2	73%	0.731	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-87.6	-5.5	-174.9	-62.3	91.7	0	0	0	114.1	S776 L777	S776-H779 PolarHBondContact O-N 3.16Å; S776-H779 VanDerWaalsContact O-N 3.15Å; L777-H779 VanDerWaalsContact C-N 3.29Å; L777-H779 PolarHBondContact O-N 3.31Å
780	M	71	Confident	75.2	Confident	45 Å²	45	76.4 Å²	76.4	22%	0.222	38%	0.376	C	S	.	.	S	Bend	trans	-88.7	142.9	-178	-66.2	-168.2	63.4	0	0	112.3	V775 L777 K788 L792	V775-M780 HydrophobicContact CG1-SD 4.27Å; L777-M780 HydrophobicContact CD2-SD 4.3Å; L777-M780 PolarHBondContact O-N 2.88Å; M780-K788 HydrophobicContact CB-CB 4.41Å; M780-K788 HydrophobicContact CB-CD 4.42Å; M780-K788 HydrophobicContact CB-CG 4.39Å; M780-K788 WeakPolarHBondContact O-CE 3.39Å; M780-K788 PolarHBondContact O-NZ 3.01Å; M780-L792 VanDerWaalsContact SD-CD1 3.56Å; M780-L792 HydrophobicContact SD-CD1 3.56Å; M780-L792 HydrophobicContact CE-CG 4.39Å; M780-L792 HydrophobicContact CE-CD1 3.98Å; M780-L792 HydrophobicContact CE-CB 3.75Å; M780-L792 HydrophobicContact SD-CB 4.2Å
781	Y	67.1	Low	76.7	Confident	225 Å²	225	75.4 Å²	75.4	88%	0.882	38%	0.378	S	S	*	.			trans	-68.5	128.7	172.7	-68.1	-81.2	0	0	0	110.7
782	G	65.8	Low	77.8	Confident	36 Å²	36	70 Å²	70	37%	0.371	35%	0.349	S	S	.	.			trans	160.5	139.5	176.9	0	0	0	0	0	110.6	K788	G782-K788 WeakPolarHBondContact O-CE 3.46Å
783	K	71.8	Confident	78.4	Confident	207 Å²	207	67 Å²	67	90%	0.9	34%	0.336	S	S	*	.	S	Bend	trans	-77.3	-35.6	-178.8	-68.8	-177.9	-179.8	176.5	0	112	S787	K783-S787 PolarHBondContact N-OG 2.84Å
784	S	76.1	Confident	78.8	Confident	10 Å²	10	61.4 Å²	61.4	7%	0.07	32%	0.323	C	S	.	.	S	Bend	trans	-113.7	150.4	178.1	70.8	0	0	0	0	110.7	V786 S787 K788	S784-V786 PolarHBondContact O-N 3.08Å; S784-S787 VanDerWaalsContact O-N 3.1Å; S784-S787 PolarHBondContact OG-OG 2.89Å; S784-S787 VanDerWaalsContact OG-N 3.1Å; S784-S787 PolarHBondContact OG-N 3.02Å; S784-S787 WeakPolarHBondContact OG-CB 3.26Å; S784-S787 PolarHBondContact O-OG 2.87Å; S784-S787 PolarHBondContact O-N 3.15Å; S784-S787 VanDerWaalsContact N-OG 3.15Å; S784-S787 PolarHBondContact N-OG 3.19Å; S784-K788 PolarHBondContact O-N 2.8Å; S784-K788 VanDerWaalsContact O-N 3.14Å
785	L	78.5	Confident	78.9	Confident	42 Å²	42	63.5 Å²	63.5	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-57.5	-37.9	175.6	-174.3	146.2	0	0	0	111.5	I689 I745 L777 S787 K788 V789	I689-L785 HydrophobicContact CD1-CD2 4.1Å; I745-L785 HydrophobicContact CB-CD1 3.98Å; I745-L785 HydrophobicContact CB-CD2 4.04Å; I745-L785 HydrophobicContact CD1-CD1 4.32Å; I745-L785 HydrophobicContact CD1-CD2 3.65Å; I745-L785 HydrophobicContact CG1-CD2 4.43Å; I745-L785 HydrophobicContact CG2-CD2 4.06Å; L777-L785 HydrophobicContact CD1-CD1 4.35Å; L777-L785 HydrophobicContact CD1-CG 4.36Å; L785-S787 PolarHBondContact O-N 2.8Å; L785-K788 PolarHBondContact O-N 2.88Å; L785-V789 WeakPolarHBondContact O-CG2 3.48Å; L785-V789 PolarHBondContact O-N 3.06Å; L785-V789 HydrophobicContact CD2-CG2 3.96Å
786	V	82.9	Confident	79.1	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-44.3	176	-176.9	0	0	0	0	111.2	Y637 I689 L692 S784 K788 V789 E790	Y637-V786 HydrophobicContact CD2-CG1 4.05Å; Y637-V786 HydrophobicContact CE2-CB 4.12Å; Y637-V786 HydrophobicContact CE2-CG1 3.69Å; I689-V786 HydrophobicContact CG1-CG1 4.37Å; I689-V786 HydrophobicContact CG1-CG2 4.27Å; L692-V786 HydrophobicContact CD1-CG1 4.13Å; S784-V786 PolarHBondContact O-N 3.08Å; V786-K788 VanDerWaalsContact C-N 3.32Å; V786-K788 PolarHBondContact O-N 2.8Å; V786-V789 PolarHBondContact O-N 2.68Å; V786-E790 WeakPolarHBondContact O-CB 3.41Å; V786-E790 PolarHBondContact O-N 2.94Å
787	S	82.6	Confident	79	Confident	23 Å²	23	63.2 Å²	63.2	16%	0.161	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-36	177	67.7	0	0	0	0	113.1	K783 S784 L785 A791	K783-S787 PolarHBondContact N-OG 2.84Å; S784-S787 VanDerWaalsContact O-N 3.1Å; S784-S787 PolarHBondContact OG-OG 2.89Å; S784-S787 VanDerWaalsContact OG-N 3.1Å; S784-S787 PolarHBondContact OG-N 3.02Å; S784-S787 WeakPolarHBondContact OG-CB 3.26Å; S784-S787 PolarHBondContact O-OG 2.87Å; S784-S787 PolarHBondContact O-N 3.15Å; S784-S787 VanDerWaalsContact N-OG 3.15Å; S784-S787 PolarHBondContact N-OG 3.19Å; L785-S787 PolarHBondContact O-N 2.8Å; S787-A791 WeakPolarHBondContact O-CB 3.35Å; S787-A791 PolarHBondContact O-N 2.78Å
788	K	85.7	Confident	79.2	Confident	39 Å²	39	65.5 Å²	65.5	17%	0.17	35%	0.346	C	S	.	.	H	α-helix	trans	-66.9	-42.9	176.4	-65.4	179.8	175.6	-164.6	0	111.5	L777 M780 G782 S784 L785 V786 L792	L777-K788 VanDerWaalsContact O-CD 3.3Å; L777-K788 WeakPolarHBondContact O-CD 3.34Å; L777-K788 PolarHBondContact O-NZ 2.84Å; M780-K788 HydrophobicContact CB-CB 4.41Å; M780-K788 HydrophobicContact CB-CD 4.42Å; M780-K788 HydrophobicContact CB-CG 4.39Å; M780-K788 WeakPolarHBondContact O-CE 3.39Å; M780-K788 PolarHBondContact O-NZ 3.01Å; G782-K788 WeakPolarHBondContact O-CE 3.46Å; S784-K788 PolarHBondContact O-N 2.8Å; S784-K788 VanDerWaalsContact O-N 3.14Å; L785-K788 PolarHBondContact O-N 2.88Å; V786-K788 VanDerWaalsContact C-N 3.32Å; V786-K788 PolarHBondContact O-N 2.8Å; K788-L792 PolarHBondContact O-N 3.37Å; K788-L792 VanDerWaalsContact O-N 3.14Å
789	V	85.8	Confident	79.7	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-68.3	-42	177.4	174	0	0	0	0	110.8	I689 M747 L777 L785 V786 L792 M793	I689-V789 HydrophobicContact CD1-CG1 4.47Å; I689-V789 HydrophobicContact CD1-CG2 4.44Å; I689-V789 HydrophobicContact CG1-CG1 4.44Å; I689-V789 HydrophobicContact CG2-CG1 3.84Å; M747-V789 HydrophobicContact SD-CG1 4.4Å; L777-V789 HydrophobicContact CD2-CG2 4.14Å; L777-V789 HydrophobicContact CD1-CG2 4.13Å; L785-V789 WeakPolarHBondContact O-CG2 3.48Å; L785-V789 PolarHBondContact O-N 3.06Å; L785-V789 HydrophobicContact CD2-CG2 3.96Å; V786-V789 PolarHBondContact O-N 2.68Å; V789-L792 PolarHBondContact O-N 3.16Å; V789-M793 HydrophobicContact CG1-CE 3.31Å; V789-M793 HydrophobicContact CG1-CG 4.25Å; V789-M793 WeakPolarHBondContact O-CG 3.34Å; V789-M793 PolarHBondContact O-N 2.82Å
790	E	86.7	Confident	80.2	Confident	52 Å²	52	59 Å²	59	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-57.3	-49.8	172.9	174.8	177.9	-133.2	0	0	111.4	Y637 L692 V786 L792 M793 T794	Y637-E790 PolarHBondContact OH-OE2 2.81Å; L692-E790 HydrophobicContact CD1-CB 3.81Å; L692-E790 HydrophobicContact CD1-CG 4Å; L692-E790 HydrophobicContact CD2-CB 3.8Å; L692-E790 HydrophobicContact CD2-CG 3.93Å; L692-E790 HydrophobicContact CG-CB 4.43Å; L692-E790 HydrophobicContact CG-CG 4.42Å; V786-E790 WeakPolarHBondContact O-CB 3.41Å; V786-E790 PolarHBondContact O-N 2.94Å; E790-L792 PolarHBondContact O-N 2.88Å; E790-M793 PolarHBondContact O-N 3.47Å; E790-T794 WeakPolarHBondContact O-CB 3.34Å; E790-T794 PolarHBondContact O-OG1 3.45Å; E790-T794 PolarHBondContact O-N 3.27Å
791	A	86	Confident	80.7	Confident	39 Å²	39	59.8 Å²	59.8	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-40.9	180	0	0	0	0	0	111.5	S787 L795	S787-A791 WeakPolarHBondContact O-CB 3.35Å; S787-A791 PolarHBondContact O-N 2.78Å; A791-L795 WeakPolarHBondContact O-CD1 3.17Å; A791-L795 VanDerWaalsContact O-CG 3.28Å; A791-L795 WeakPolarHBondContact O-CG 3.5Å; A791-L795 PolarHBondContact O-N 2.97Å; A791-L795 VanDerWaalsContact O-N 3.14Å
792	L	86.1	Confident	81.6	Confident	19 Å²	19	49.5 Å²	49.5	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-70	-47.1	177	-169.5	138.6	0	0	0	112.7	I735 M747 V749 V775 M780 K788 V789 E790 T794 L795 L796	I735-L792 HydrophobicContact CD1-CD2 4.11Å; M747-L792 HydrophobicContact CE-CB 4.17Å; M747-L792 HydrophobicContact CE-CD1 3.31Å; M747-L792 HydrophobicContact CE-CD2 3.16Å; M747-L792 HydrophobicContact CE-CG 3.66Å; M747-L792 HydrophobicContact SD-CD2 3.95Å; V749-L792 HydrophobicContact CG2-CD2 4.35Å; V775-L792 HydrophobicContact CG1-CD1 3.69Å; V775-L792 HydrophobicContact CG2-CD1 4.37Å; M780-L792 VanDerWaalsContact SD-CD1 3.56Å; M780-L792 HydrophobicContact SD-CD1 3.56Å; M780-L792 HydrophobicContact CE-CG 4.39Å; M780-L792 HydrophobicContact CE-CD1 3.98Å; M780-L792 HydrophobicContact CE-CB 3.75Å; M780-L792 HydrophobicContact SD-CB 4.2Å; K788-L792 PolarHBondContact O-N 3.37Å; K788-L792 VanDerWaalsContact O-N 3.14Å; V789-L792 PolarHBondContact O-N 3.16Å; E790-L792 PolarHBondContact O-N 2.88Å; L792-T794 PolarHBondContact O-N 3.35Å; L792-L795 VanDerWaalsContact O-N 3.09Å; L792-L795 PolarHBondContact O-N 2.88Å; L792-L795 WeakPolarHBondContact O-CB 3.47Å; L792-L796 HydrophobicContact CD2-CD1 3.38Å; L792-L796 HydrophobicContact CD2-CG 3.95Å; L792-L796 HydrophobicContact CG-CD1 4.37Å; L792-L796 PolarHBondContact O-N 2.89Å
793	M	86.2	Confident	82.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-32.3	178	-70	-151.7	-140.6	0	0	111.6	I689 A693 L697 W699 I735 L737 V789 E790 L796 S797	I689-M793 HydrophobicContact CG2-CE 3.35Å; A693-M793 HydrophobicContact CB-CE 4.13Å; A693-M793 HydrophobicContact CB-SD 3.8Å; L697-M793 HydrophobicContact CD1-CB 3.33Å; L697-M793 HydrophobicContact CD1-CG 4.4Å; L697-M793 HydrophobicContact CD1-SD 4.46Å; W699-M793 HydrophobicContact CD2-SD 4.17Å; W699-M793 HydrophobicContact CE3-SD 4.5Å; W699-M793 HydrophobicContact CG-SD 4.49Å; W699-M793 HydrophobicContact CZ2-CB 4.02Å; W699-M793 HydrophobicContact CZ2-CG 4.36Å; W699-M793 VanDerWaalsContact CZ2-O 3.26Å; W699-M793 WeakPolarHBondContact CZ2-O 3.18Å; W699-M793 PolarHBondContact NE1-O 3.23Å; I735-M793 HydrophobicContact CD1-CG 3.71Å; I735-M793 HydrophobicContact CD1-SD 4.29Å; L737-M793 HydrophobicContact CD1-CE 4.14Å; V789-M793 HydrophobicContact CG1-CE 3.31Å; V789-M793 HydrophobicContact CG1-CG 4.25Å; V789-M793 WeakPolarHBondContact O-CG 3.34Å; V789-M793 PolarHBondContact O-N 2.82Å; E790-M793 PolarHBondContact O-N 3.47Å; M793-L796 PolarHBondContact O-N 3.07Å; M793-S797 WeakPolarHBondContact O-CB 3.38Å; M793-S797 PolarHBondContact O-N 2.85Å
794	T	86.6	Confident	83.4	Confident	74 Å²	74	39.2 Å²	39.2	45%	0.454	23%	0.227	S	C	.	.	H	α-helix	trans	-67.6	-37.4	174.1	-52	0	0	0	0	111.4	L697 E790 L792 L796	L697-T794 WeakPolarHBondContact CD2-OG1 3.33Å; E790-T794 WeakPolarHBondContact O-CB 3.34Å; E790-T794 PolarHBondContact O-OG1 3.45Å; E790-T794 PolarHBondContact O-N 3.27Å; L792-T794 PolarHBondContact O-N 3.35Å; T794-L796 VanDerWaalsContact C-N 3.35Å
795	L	85.3	Confident	84	Confident	143 Å²	143	41.5 Å²	41.5	75%	0.749	24%	0.239	S	C	*	.	H	α-helix	trans	-71.1	-28.1	175.9	-72.9	165.7	0	0	0	113.2	A791 L792	A791-L795 WeakPolarHBondContact O-CD1 3.17Å; A791-L795 VanDerWaalsContact O-CG 3.28Å; A791-L795 WeakPolarHBondContact O-CG 3.5Å; A791-L795 PolarHBondContact O-N 2.97Å; A791-L795 VanDerWaalsContact O-N 3.14Å; L792-L795 VanDerWaalsContact O-N 3.09Å; L792-L795 PolarHBondContact O-N 2.88Å; L792-L795 WeakPolarHBondContact O-CB 3.47Å
796	L	83.6	Confident	84.4	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.168	24%	0.241	C	C	.	.	H	α-helix	trans	-95.6	-9.5	-179.4	-67.2	-173	0	0	0	114.3	W699 S728 Y733 I735 V749 L792 M793 T794	W699-L796 HydrophobicContact CH2-CB 3.84Å; W699-L796 HydrophobicContact CZ2-CB 3.8Å; S728-L796 WeakPolarHBondContact CB-O 3.5Å; Y733-L796 HydrophobicContact CD1-CD2 4.19Å; Y733-L796 HydrophobicContact CD2-CB 4.28Å; Y733-L796 HydrophobicContact CD2-CD2 4.25Å; Y733-L796 WeakPolarHBondContact CD2-O 3.4Å; Y733-L796 HydrophobicContact CE1-CD2 4.14Å; Y733-L796 HydrophobicContact CE2-CD2 4.21Å; Y733-L796 HydrophobicContact CG-CB 4.43Å; Y733-L796 HydrophobicContact CG-CD2 4.24Å; I735-L796 HydrophobicContact CD1-CD1 4.07Å; I735-L796 HydrophobicContact CG1-CD1 4.41Å; V749-L796 HydrophobicContact CG1-CD1 3.62Å; V749-L796 HydrophobicContact CG2-CD1 4.08Å; L792-L796 HydrophobicContact CD2-CD1 3.38Å; L792-L796 HydrophobicContact CD2-CG 3.95Å; L792-L796 HydrophobicContact CG-CD1 4.37Å; L792-L796 PolarHBondContact O-N 2.89Å; M793-L796 PolarHBondContact O-N 3.07Å; T794-L796 VanDerWaalsContact C-N 3.35Å
797	S	75.6	Confident	84.6	Confident	72 Å²	72	44.9 Å²	44.9	50%	0.503	26%	0.261	S	S	.	.			trans	-63.8	0	176.8	-177.2	0	0	0	0	110.2	P729 S730 M793	P729-S797 WeakPolarHBondContact CG-OG 3.3Å; S730-S797 WeakPolarHBondContact CB-O 3.37Å; S730-S797 PolarHBondContact OG-O 3.35Å; M793-S797 WeakPolarHBondContact O-CB 3.38Å; M793-S797 PolarHBondContact O-N 2.85Å

Retrieved 797 of 797 residues in 141.3 ms (Link to these results)

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