A0A5K4FB03_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 651 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	55.1	Low	68.4	Low	180 Å²	180	114.8 Å²	114.8	89%	0.887	57%	0.571	S	S	*	*				0	-67.4	0	-71.3	-52.9	-174.6	0	0	113.2	L3 Y4 V5	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.29Å; M1-L3 VanDerWaalsContact O-N 3.09Å; M1-Y4 WeakPolarHBondContact O-CB 3.33Å; M1-Y4 PolarHBondContact O-N 3.05Å; M1-V5 PolarHBondContact O-N 3.14Å
2	N	60.8	Low	68.2	Low	134 Å²	134	111.8 Å²	111.8	72%	0.717	55%	0.553	S	S	*	*	H	α-helix	trans	-48.1	-45.2	-167	-61.4	1.1	0	0	0	115.4	Y4 V5 T6	N2-Y4 VanDerWaalsContact C-N 3.31Å; N2-Y4 PolarHBondContact O-N 3.47Å; N2-V5 WeakPolarHBondContact O-CB 3.48Å; N2-V5 PolarHBondContact O-N 3.34Å; N2-T6 PolarHBondContact O-N 3.38Å; N2-T6 PolarHBondContact O-OG1 3.26Å
3	L	68.6	Low	68	Low	140 Å²	140	118.4 Å²	118.4	73%	0.733	57%	0.567	S	S	*	*	H	α-helix	trans	-58	-39.1	179.4	-162.9	72.1	0	0	0	113.3	M1 T6 V7	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.29Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-T6 PolarHBondContact O-N 3.21Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.06Å
4	Y	67.9	Low	67.6	Low	197 Å²	197	121.6 Å²	121.6	77%	0.773	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-37	175.6	-101.9	-90.1	0	0	0	112.2	M1 N2 V7 F8	M1-Y4 WeakPolarHBondContact O-CB 3.33Å; M1-Y4 PolarHBondContact O-N 3.05Å; N2-Y4 VanDerWaalsContact C-N 3.31Å; N2-Y4 PolarHBondContact O-N 3.47Å; Y4-V7 PolarHBondContact O-N 2.79Å; Y4-F8 VanDerWaalsContact O-CB 3.32Å; Y4-F8 WeakPolarHBondContact O-CB 3.32Å; Y4-F8 PolarHBondContact O-N 3.22Å
5	V	74.1	Confident	67.1	Low	57 Å²	57	118.2 Å²	118.2	35%	0.345	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-42.3	176.8	-178.8	0	0	0	0	110.2	M1 N2 F8 I9	M1-V5 PolarHBondContact O-N 3.14Å; N2-V5 WeakPolarHBondContact O-CB 3.48Å; N2-V5 PolarHBondContact O-N 3.34Å; V5-F8 PolarHBondContact O-N 2.81Å; V5-I9 HydrophobicContact CG1-CD1 3.86Å; V5-I9 HydrophobicContact CG1-CG1 4.49Å; V5-I9 VanDerWaalsContact O-CG1 3.32Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.16Å
6	T	70.9	Confident	66.4	Low	75 Å²	75	118.3 Å²	118.3	46%	0.46	58%	0.579	S	S	.	*	H	α-helix	trans	-61.7	-48.1	175	-52.8	0	0	0	0	111.6	N2 L3 F8 I9 Y10	N2-T6 PolarHBondContact O-N 3.38Å; N2-T6 PolarHBondContact O-OG1 3.26Å; L3-T6 PolarHBondContact O-N 3.21Å; T6-F8 VanDerWaalsContact C-N 3.31Å; T6-F8 PolarHBondContact O-N 3.12Å; T6-I9 PolarHBondContact O-N 2.95Å; T6-Y10 HydrophobicContact CG2-CD2 4.02Å; T6-Y10 HydrophobicContact CG2-CE2 4.09Å; T6-Y10 WeakPolarHBondContact O-CD2 3.3Å; T6-Y10 PolarHBondContact O-N 2.78Å
7	V	73.7	Confident	65.1	Low	84 Å²	84	114.7 Å²	114.7	51%	0.509	58%	0.581	S	S	.	*	H	α-helix	trans	-62	-38.7	176.9	172.7	0	0	0	0	111.6	L3 Y4 Y10 T11	L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.06Å; Y4-V7 PolarHBondContact O-N 2.79Å; V7-Y10 PolarHBondContact O-N 2.93Å; V7-T11 HydrophobicContact CG1-CG2 4.36Å; V7-T11 WeakPolarHBondContact O-CB 3.49Å; V7-T11 WeakPolarHBondContact O-CG2 3.31Å; V7-T11 PolarHBondContact O-N 2.84Å; V7-T11 PolarHBondContact O-OG1 3.05Å
8	F	73.4	Confident	64.1	Low	79 Å²	79	118.9 Å²	118.9	35%	0.346	60%	0.597	S	S	.	*	H	α-helix	trans	-65.8	-43.3	176.5	-168.6	-92.9	0	0	0	112.1	Y4 V5 T6 Y10 T11 F12 I30	Y4-F8 VanDerWaalsContact O-CB 3.32Å; Y4-F8 WeakPolarHBondContact O-CB 3.32Å; Y4-F8 PolarHBondContact O-N 3.22Å; V5-F8 PolarHBondContact O-N 2.81Å; T6-F8 VanDerWaalsContact C-N 3.31Å; T6-F8 PolarHBondContact O-N 3.12Å; F8-Y10 PolarHBondContact O-N 3Å; F8-T11 WeakPolarHBondContact CA-OG1 3.48Å; F8-T11 PolarHBondContact O-OG1 3.12Å; F8-F12 HydrophobicContact CE1-CB 4.48Å; F8-F12 HydrophobicContact CE1-CD2 4.09Å; F8-F12 HydrophobicContact CZ-CD2 4.11Å; F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 3.32Å; F8-I30 HydrophobicContact CE1-CG2 3.62Å; F8-I30 HydrophobicContact CZ-CG2 3.46Å; F8-I30 VanDerWaalsContact CZ-CG2 3.46Å
9	I	71.9	Confident	63.2	Low	94 Å²	94	124.7 Å²	124.7	48%	0.482	61%	0.613	S	S	.	*	H	α-helix	trans	-63.9	-41.5	177.2	-70.2	169	0	0	0	111.4	V5 T6 R13	V5-I9 HydrophobicContact CG1-CD1 3.86Å; V5-I9 HydrophobicContact CG1-CG1 4.49Å; V5-I9 VanDerWaalsContact O-CG1 3.32Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.16Å; T6-I9 PolarHBondContact O-N 2.95Å; I9-R13 WeakPolarHBondContact O-CB 3.45Å; I9-R13 PolarHBondContact O-N 2.75Å
10	Y	69	Low	63	Low	151 Å²	151	128.5 Å²	128.5	59%	0.592	63%	0.626	S	S	*	*	H	α-helix	trans	-66.8	-48.4	177	-91.2	-100.3	0	0	0	112.3	T6 V7 F8 F12 R13 E14	T6-Y10 HydrophobicContact CG2-CD2 4.02Å; T6-Y10 HydrophobicContact CG2-CE2 4.09Å; T6-Y10 WeakPolarHBondContact O-CD2 3.3Å; T6-Y10 PolarHBondContact O-N 2.78Å; V7-Y10 PolarHBondContact O-N 2.93Å; F8-Y10 PolarHBondContact O-N 3Å; Y10-F12 PolarHBondContact O-N 3.25Å; Y10-R13 PolarHBondContact O-N 2.99Å; Y10-R13 VanDerWaalsContact O-N 3.14Å; Y10-E14 PolarHBondContact O-N 3.45Å
11	T	66.6	Low	62.7	Low	72 Å²	72	133.9 Å²	133.9	44%	0.442	64%	0.64	S	S	.	*	H	α-helix	trans	-65.4	-37.4	179.2	50.3	0	0	0	0	112.6	V7 F8 R13 E14 A15	V7-T11 HydrophobicContact CG1-CG2 4.36Å; V7-T11 WeakPolarHBondContact O-CB 3.49Å; V7-T11 WeakPolarHBondContact O-CG2 3.31Å; V7-T11 PolarHBondContact O-N 2.84Å; V7-T11 PolarHBondContact O-OG1 3.05Å; F8-T11 WeakPolarHBondContact CA-OG1 3.48Å; F8-T11 PolarHBondContact O-OG1 3.12Å; T11-R13 VanDerWaalsContact C-N 3.32Å; T11-R13 PolarHBondContact O-N 3.05Å; T11-E14 PolarHBondContact O-N 3.24Å; T11-A15 WeakPolarHBondContact O-CB 3.19Å; T11-A15 PolarHBondContact O-N 3.17Å
12	F	66.8	Low	63	Low	79 Å²	79	128.9 Å²	128.9	35%	0.346	62%	0.621	S	S	.	*	H	α-helix	trans	-66.4	-33.7	173.5	-159.7	-87	0	0	0	112.2	F8 Y10 A15 H16 I30	F8-F12 HydrophobicContact CE1-CB 4.48Å; F8-F12 HydrophobicContact CE1-CD2 4.09Å; F8-F12 HydrophobicContact CZ-CD2 4.11Å; F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 3.32Å; Y10-F12 PolarHBondContact O-N 3.25Å; F12-A15 PolarHBondContact O-N 3.44Å; F12-H16 AromaticContact CE1-CD2 3.7Å; F12-H16 AromaticContact CE2-CD2 3.85Å; F12-H16 AromaticContact CZ-CD2 3.57Å; F12-H16 PolarHBondContact O-N 3.06Å; F12-H16 VanDerWaalsContact O-N 3.14Å; F12-I30 HydrophobicContact CE2-CD1 4.37Å; F12-I30 HydrophobicContact CZ-CD1 4.42Å
13	R	65.1	Low	63.8	Low	197 Å²	197	127.2 Å²	127.2	74%	0.743	62%	0.615	S	S	*	*	H	α-helix	trans	-73.1	-28.9	176.3	-160	175.1	89.7	155.3	6.4	113.2	I9 Y10 T11	I9-R13 WeakPolarHBondContact O-CB 3.45Å; I9-R13 PolarHBondContact O-N 2.75Å; Y10-R13 PolarHBondContact O-N 2.99Å; Y10-R13 VanDerWaalsContact O-N 3.14Å; T11-R13 VanDerWaalsContact C-N 3.32Å; T11-R13 PolarHBondContact O-N 3.05Å
14	E	63.3	Low	64.1	Low	164 Å²	164	127.3 Å²	127.3	77%	0.766	62%	0.616	S	S	*	*	H	α-helix	trans	-76.7	-36.5	169.7	-72.1	-165.8	118.2	0	0	112.6	Y10 T11	Y10-E14 PolarHBondContact O-N 3.45Å; T11-E14 PolarHBondContact O-N 3.24Å
15	A	60.1	Low	64.6	Low	70 Å²	70	126.2 Å²	126.2	58%	0.579	62%	0.615	S	S	*	*	H	α-helix	trans	-69.9	-33.9	-179	0	0	0	0	0	113.8	T11 F12	T11-A15 WeakPolarHBondContact O-CB 3.19Å; T11-A15 PolarHBondContact O-N 3.17Å; F12-A15 PolarHBondContact O-N 3.44Å
16	H	54.6	Low	64.7	Low	119 Å²	119	125.3 Å²	125.3	55%	0.551	61%	0.614	S	S	*	*	S	Bend	trans	-120.6	77.4	-174.2	-67.5	-63.4	0	0	0	112.9	F12 H18	F12-H16 AromaticContact CE1-CD2 3.7Å; F12-H16 AromaticContact CE2-CD2 3.85Å; F12-H16 AromaticContact CZ-CD2 3.57Å; F12-H16 PolarHBondContact O-N 3.06Å; F12-H16 VanDerWaalsContact O-N 3.14Å; H16-H18 PolarHBondContact O-N 3.14Å
17	G	44.7	Very low	65	Low	58 Å²	58	125 Å²	125	60%	0.598	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	128.1	171.7	0	0	0	0	0	113
18	H	47.5	Very low	65.4	Low	191 Å²	191	124.2 Å²	124.2	88%	0.884	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.1	63.2	169.6	-60.6	-79.3	0	0	0	117.9	H16	H16-H18 PolarHBondContact O-N 3.14Å
19	Y	47.8	Very low	65.8	Low	228 Å²	228	124 Å²	124	89%	0.894	61%	0.61	S	S	*	*			trans	-127.5	161.2	154.1	-94.7	-89.4	0	0	0	112.7
20	K	57.4	Low	66.1	Low	200 Å²	200	122.1 Å²	122.1	87%	0.87	60%	0.6	S	S	*	*			trans	-58.2	153.9	-179.3	-71	-179.1	176.4	179	0	111.2
21	R	57.9	Low	66.6	Low	242 Å²	242	118 Å²	118	91%	0.913	59%	0.588	S	S	*	*			trans	-45.2	125	176.9	-69.4	-175.2	179.4	-172.1	0.3	110.4
22	P	61	Low	67.3	Low	76 Å²	76	120.9 Å²	120.9	49%	0.494	60%	0.596	S	S	.	*			trans	-62.5	141.9	173.9	26	-33	0	0	0	109.7	A26 I27	P22-A26 HydrophobicContact CB-CB 4.45Å; P22-I27 HydrophobicContact CB-CG1 4.3Å; P22-I27 HydrophobicContact CG-CD1 4.25Å; P22-I27 HydrophobicContact CG-CG1 4.22Å
23	T	76.8	Confident	67.9	Low	98 Å²	98	120.5 Å²	120.5	60%	0.601	60%	0.6	S	S	*	*			trans	-69.5	152.6	175.4	56.9	0	0	0	0	110.2	K25 A26 I27	T23-K25 PolarHBondContact O-N 3.5Å; T23-A26 WeakPolarHBondContact O-CB 3.45Å; T23-A26 PolarHBondContact O-N 3.1Å; T23-I27 PolarHBondContact O-N 3.36Å
24	L	75.7	Confident	68.5	Low	142 Å²	142	114.2 Å²	114.2	74%	0.743	58%	0.584	S	S	*	*	H	α-helix	trans	-52.9	-39.8	177	-76.5	166.4	0	0	0	111.9	A26 I27 T28	L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 3.4Å; L24-I27 PolarHBondContact O-N 3.06Å; L24-I27 VanDerWaalsContact O-N 3.16Å; L24-T28 PolarHBondContact O-N 3.4Å; L24-T28 PolarHBondContact O-OG1 3.22Å
25	K	77.8	Confident	69.2	Low	174 Å²	174	111.3 Å²	111.3	76%	0.757	57%	0.573	S	S	*	*	H	α-helix	trans	-56.6	-39.2	174.2	-70.8	-170.6	175.9	-175.8	0	113.3	T23 T28 T29	T23-K25 PolarHBondContact O-N 3.5Å; K25-T28 WeakPolarHBondContact CA-OG1 3.37Å; K25-T28 PolarHBondContact O-OG1 3.36Å; K25-T29 PolarHBondContact O-N 3.4Å; K25-T29 VanDerWaalsContact O-N 3.09Å; K25-T29 PolarHBondContact O-OG1 2.83Å
26	A	76.6	Confident	70.1	Confident	38 Å²	38	115 Å²	115	31%	0.314	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-42.3	177.1	0	0	0	0	0	111.6	P22 T23 L24 T29 I30	P22-A26 HydrophobicContact CB-CB 4.45Å; T23-A26 WeakPolarHBondContact O-CB 3.45Å; T23-A26 PolarHBondContact O-N 3.1Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 3.4Å; A26-T29 PolarHBondContact O-N 3.28Å; A26-I30 VanDerWaalsContact O-CG1 3.29Å; A26-I30 WeakPolarHBondContact O-CG1 3.49Å; A26-I30 PolarHBondContact O-N 3.02Å
27	I	77.8	Confident	71	Confident	68 Å²	68	115 Å²	115	35%	0.349	58%	0.578	S	S	.	*	H	α-helix	trans	-63.2	-45.4	177.4	-57.2	173.9	0	0	0	110.4	P22 T23 L24 T29 I30 L31	P22-I27 HydrophobicContact CB-CG1 4.3Å; P22-I27 HydrophobicContact CG-CD1 4.25Å; P22-I27 HydrophobicContact CG-CG1 4.22Å; T23-I27 PolarHBondContact O-N 3.36Å; L24-I27 PolarHBondContact O-N 3.06Å; L24-I27 VanDerWaalsContact O-N 3.16Å; I27-T29 PolarHBondContact O-N 3.49Å; I27-I30 PolarHBondContact O-N 3.19Å; I27-L31 HydrophobicContact CG2-CD1 4.02Å; I27-L31 HydrophobicContact CG2-CG 4.49Å; I27-L31 WeakPolarHBondContact O-CG 3.2Å; I27-L31 PolarHBondContact O-N 2.94Å
28	T	81.2	Confident	72.2	Confident	69 Å²	69	114.1 Å²	114.1	42%	0.423	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-40	178	51.2	0	0	0	0	112.4	L24 K25 I30 L31 Q32	L24-T28 PolarHBondContact O-N 3.4Å; L24-T28 PolarHBondContact O-OG1 3.22Å; K25-T28 WeakPolarHBondContact CA-OG1 3.37Å; K25-T28 PolarHBondContact O-OG1 3.36Å; T28-I30 PolarHBondContact O-N 3.36Å; T28-L31 PolarHBondContact O-N 2.94Å; T28-Q32 WeakPolarHBondContact O-CB 3.41Å; T28-Q32 VanDerWaalsContact O-CG 3.31Å; T28-Q32 WeakPolarHBondContact O-CG 3.46Å; T28-Q32 PolarHBondContact O-N 2.95Å
29	T	81.2	Confident	73.3	Confident	75 Å²	75	112.7 Å²	112.7	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-65.7	-38	176.4	-58.1	0	0	0	0	112	K25 A26 I27 T33	K25-T29 PolarHBondContact O-N 3.4Å; K25-T29 VanDerWaalsContact O-N 3.09Å; K25-T29 PolarHBondContact O-OG1 2.83Å; A26-T29 PolarHBondContact O-N 3.28Å; I27-T29 PolarHBondContact O-N 3.49Å; T29-T33 HydrophobicContact CG2-CG2 4.46Å; T29-T33 WeakPolarHBondContact O-CB 3.25Å; T29-T33 WeakPolarHBondContact O-CG2 3.45Å; T29-T33 PolarHBondContact O-N 2.93Å; T29-T33 PolarHBondContact O-OG1 3.26Å
30	I	78.3	Confident	74.2	Confident	54 Å²	54	107.5 Å²	107.5	28%	0.277	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-40.1	175.6	-67.8	166.2	0	0	0	110.8	F8 F12 A26 I27 T28 T33 T34	F8-I30 HydrophobicContact CE1-CG2 3.62Å; F8-I30 HydrophobicContact CZ-CG2 3.46Å; F8-I30 VanDerWaalsContact CZ-CG2 3.46Å; F12-I30 HydrophobicContact CE2-CD1 4.37Å; F12-I30 HydrophobicContact CZ-CD1 4.42Å; A26-I30 VanDerWaalsContact O-CG1 3.29Å; A26-I30 WeakPolarHBondContact O-CG1 3.49Å; A26-I30 PolarHBondContact O-N 3.02Å; I27-I30 PolarHBondContact O-N 3.19Å; T28-I30 PolarHBondContact O-N 3.36Å; I30-T33 WeakPolarHBondContact CA-OG1 3.48Å; I30-T33 PolarHBondContact O-OG1 2.93Å; I30-T33 VanDerWaalsContact O-OG1 3.13Å; I30-T34 WeakPolarHBondContact O-CB 3.35Å; I30-T34 WeakPolarHBondContact O-CG2 3.28Å; I30-T34 PolarHBondContact O-N 2.97Å; I30-T34 PolarHBondContact O-OG1 3.09Å
31	L	79.7	Confident	74.6	Confident	65 Å²	65	105.3 Å²	105.3	34%	0.34	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-44.1	175	-71	170.5	0	0	0	112.1	I27 T28 T34 L35	I27-L31 HydrophobicContact CG2-CD1 4.02Å; I27-L31 HydrophobicContact CG2-CG 4.49Å; I27-L31 WeakPolarHBondContact O-CG 3.2Å; I27-L31 PolarHBondContact O-N 2.94Å; T28-L31 PolarHBondContact O-N 2.94Å; L31-T34 WeakPolarHBondContact CA-OG1 3.43Å; L31-T34 PolarHBondContact O-OG1 3.04Å; L31-T34 VanDerWaalsContact O-OG1 3.06Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.71Å
32	Q	81.9	Confident	74.8	Confident	132 Å²	132	96.1 Å²	96.1	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-63.4	-42.2	176.3	-74.3	173.9	-10.2	0	0	112.3	T28 K36	T28-Q32 WeakPolarHBondContact O-CB 3.41Å; T28-Q32 VanDerWaalsContact O-CG 3.31Å; T28-Q32 WeakPolarHBondContact O-CG 3.46Å; T28-Q32 PolarHBondContact O-N 2.95Å; Q32-K36 WeakPolarHBondContact O-CB 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å
33	T	78.9	Confident	74.8	Confident	71 Å²	71	99.2 Å²	99.2	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-70.3	-40.6	178.4	48.7	0	0	0	0	112.3	T29 I30 K36 M37	T29-T33 HydrophobicContact CG2-CG2 4.46Å; T29-T33 WeakPolarHBondContact O-CB 3.25Å; T29-T33 WeakPolarHBondContact O-CG2 3.45Å; T29-T33 PolarHBondContact O-N 2.93Å; T29-T33 PolarHBondContact O-OG1 3.26Å; I30-T33 WeakPolarHBondContact CA-OG1 3.48Å; I30-T33 PolarHBondContact O-OG1 2.93Å; I30-T33 VanDerWaalsContact O-OG1 3.13Å; T33-K36 PolarHBondContact O-N 3.21Å; T33-M37 WeakPolarHBondContact O-CB 3.3Å; T33-M37 VanDerWaalsContact O-CG 3.27Å; T33-M37 WeakPolarHBondContact O-CG 3.38Å; T33-M37 PolarHBondContact O-N 3.35Å
34	T	78	Confident	73.9	Confident	65 Å²	65	101.8 Å²	101.8	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-39.6	174.5	48.8	0	0	0	0	112.5	I30 L31 M37 G38	I30-T34 WeakPolarHBondContact O-CB 3.35Å; I30-T34 WeakPolarHBondContact O-CG2 3.28Å; I30-T34 PolarHBondContact O-N 2.97Å; I30-T34 PolarHBondContact O-OG1 3.09Å; L31-T34 WeakPolarHBondContact CA-OG1 3.43Å; L31-T34 PolarHBondContact O-OG1 3.04Å; L31-T34 VanDerWaalsContact O-OG1 3.06Å; T34-M37 PolarHBondContact O-N 3.07Å; T34-G38 PolarHBondContact O-N 2.84Å
35	L	78.9	Confident	73	Confident	103 Å²	103	100.4 Å²	100.4	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-40.6	171.1	-73.1	168.8	0	0	0	112.5	L31 G38 K39	L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.71Å; L35-G38 PolarHBondContact O-N 3.2Å; L35-K39 PolarHBondContact O-N 3.12Å
36	K	78.7	Confident	71.8	Confident	147 Å²	147	97.7 Å²	97.7	64%	0.639	50%	0.501	S	S	*	.	H	α-helix	trans	-66.7	-41.2	177.7	-160.3	169.7	-172.7	175.5	0	111.9	Q32 T33 K39 Q40	Q32-K36 WeakPolarHBondContact O-CB 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å; T33-K36 PolarHBondContact O-N 3.21Å; K36-K39 PolarHBondContact O-N 2.94Å; K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.02Å
37	M	72	Confident	70.8	Confident	118 Å²	118	102 Å²	102	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-38.7	172.9	-70.8	-68.5	-71.2	0	0	112.3	T33 T34 Q40 K41	T33-M37 WeakPolarHBondContact O-CB 3.3Å; T33-M37 VanDerWaalsContact O-CG 3.27Å; T33-M37 WeakPolarHBondContact O-CG 3.38Å; T33-M37 PolarHBondContact O-N 3.35Å; T34-M37 PolarHBondContact O-N 3.07Å; M37-Q40 PolarHBondContact O-N 2.91Å; M37-K41 PolarHBondContact O-N 2.84Å
38	G	70.1	Confident	69.6	Low	40 Å²	40	103.8 Å²	103.8	41%	0.412	53%	0.533	S	S	.	.	H	α-helix	trans	-60.8	-48.9	174.6	0	0	0	0	0	112.1	T34 L35 Q40 K41 A42	T34-G38 PolarHBondContact O-N 2.84Å; L35-G38 PolarHBondContact O-N 3.2Å; G38-Q40 VanDerWaalsContact C-N 3.32Å; G38-Q40 PolarHBondContact O-N 2.76Å; G38-K41 PolarHBondContact O-N 3.01Å; G38-A42 PolarHBondContact O-N 3.36Å
39	K	72.3	Confident	68	Low	162 Å²	162	104.8 Å²	104.8	70%	0.704	54%	0.543	S	S	*	.	H	α-helix	trans	-62.6	-35.3	175.9	-71.1	-172.5	176	-168	0	113	L35 K36 K43	L35-K39 PolarHBondContact O-N 3.12Å; K36-K39 PolarHBondContact O-N 2.94Å; K39-K43 PolarHBondContact O-N 3.17Å
40	Q	66.6	Low	66.2	Low	118 Å²	118	108.3 Å²	108.3	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-36.9	173.7	-75.7	-179.9	-7.3	0	0	112.9	K36 M37 G38 K44	K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.02Å; M37-Q40 PolarHBondContact O-N 2.91Å; G38-Q40 VanDerWaalsContact C-N 3.32Å; G38-Q40 PolarHBondContact O-N 2.76Å; Q40-K44 VanDerWaalsContact O-CB 3.32Å; Q40-K44 WeakPolarHBondContact O-CB 3.31Å; Q40-K44 PolarHBondContact O-N 3.24Å
41	K	66.2	Low	64.4	Low	155 Å²	155	115.1 Å²	115.1	67%	0.674	59%	0.586	S	S	*	*	H	α-helix	trans	-69.2	-38.5	174.1	-89.8	-163.8	170.2	-166.6	0	113.1	M37 G38 K44 I45	M37-K41 PolarHBondContact O-N 2.84Å; G38-K41 PolarHBondContact O-N 3.01Å; K41-K44 PolarHBondContact O-N 2.69Å; K41-I45 WeakPolarHBondContact O-CD1 3.25Å; K41-I45 VanDerWaalsContact O-CG1 3.31Å; K41-I45 WeakPolarHBondContact O-CG1 3.39Å; K41-I45 PolarHBondContact O-N 3.18Å; K41-I45 VanDerWaalsContact O-N 3.12Å
42	A	60.9	Low	62.4	Low	49 Å²	49	119.8 Å²	119.8	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-58.9	-56.4	175.8	0	0	0	0	0	110.8	G38 K44 I45 E46	G38-A42 PolarHBondContact O-N 3.36Å; A42-K44 VanDerWaalsContact C-N 3.34Å; A42-K44 PolarHBondContact O-N 3.3Å; A42-I45 PolarHBondContact O-N 3.37Å; A42-E46 PolarHBondContact O-N 3.4Å; A42-E46 VanDerWaalsContact O-N 3.16Å
43	K	61.1	Low	60.3	Low	141 Å²	141	120.7 Å²	120.7	61%	0.613	62%	0.62	S	S	*	*	H	α-helix	trans	-54.6	-47	175.8	-74.5	-158.2	166.3	-147	0	112.6	K39 I45 E46 D47	K39-K43 PolarHBondContact O-N 3.17Å; K43-I45 PolarHBondContact O-N 2.68Å; K43-I45 VanDerWaalsContact O-N 3.12Å; K43-E46 PolarHBondContact O-N 3.06Å; K43-E46 VanDerWaalsContact O-N 3.14Å; K43-D47 WeakPolarHBondContact O-CB 3.32Å; K43-D47 PolarHBondContact O-N 3.21Å; K43-D47 VanDerWaalsContact O-OD2 3.1Å
44	K	57.8	Low	58.3	Low	152 Å²	152	122.7 Å²	122.7	66%	0.661	63%	0.634	S	S	*	*	H	α-helix	trans	-67.4	-12.9	-179.5	-169.3	162.3	-175.2	177.1	0	114.3	Q40 K41 A42 T48	Q40-K44 VanDerWaalsContact O-CB 3.32Å; Q40-K44 WeakPolarHBondContact O-CB 3.31Å; Q40-K44 PolarHBondContact O-N 3.24Å; K41-K44 PolarHBondContact O-N 2.69Å; A42-K44 VanDerWaalsContact C-N 3.34Å; A42-K44 PolarHBondContact O-N 3.3Å; K44-T48 VanDerWaalsContact O-CG2 3.31Å; K44-T48 WeakPolarHBondContact O-CG2 3.41Å; K44-T48 PolarHBondContact O-OG1 3.34Å; K44-T48 VanDerWaalsContact O-OG1 3.06Å
45	I	56.3	Low	56.4	Low	113 Å²	113	127.7 Å²	127.7	58%	0.579	66%	0.659	S	S	*	*	H	α-helix	trans	-84.8	-47.7	170.3	-70.4	164.2	0	0	0	109.4	K41 A42 K43 D47 T48 S49	K41-I45 WeakPolarHBondContact O-CD1 3.25Å; K41-I45 VanDerWaalsContact O-CG1 3.31Å; K41-I45 WeakPolarHBondContact O-CG1 3.39Å; K41-I45 PolarHBondContact O-N 3.18Å; K41-I45 VanDerWaalsContact O-N 3.12Å; A42-I45 PolarHBondContact O-N 3.37Å; K43-I45 PolarHBondContact O-N 2.68Å; K43-I45 VanDerWaalsContact O-N 3.12Å; I45-D47 PolarHBondContact O-N 3.04Å; I45-T48 PolarHBondContact O-N 3.45Å; I45-T48 PolarHBondContact O-OG1 3.44Å; I45-S49 PolarHBondContact O-N 3.02Å
46	E	54.4	Low	54.2	Low	117 Å²	117	129.7 Å²	129.7	55%	0.547	67%	0.67	S	S	.	*	H	α-helix	trans	-58	-45.9	175.4	-63.8	166	154.3	0	0	111.8	A42 K43 T48 S49	A42-E46 PolarHBondContact O-N 3.4Å; A42-E46 VanDerWaalsContact O-N 3.16Å; K43-E46 PolarHBondContact O-N 3.06Å; K43-E46 VanDerWaalsContact O-N 3.14Å; E46-T48 PolarHBondContact O-N 3.5Å; E46-S49 PolarHBondContact O-N 2.76Å; E46-S49 PolarHBondContact O-OG 2.9Å
47	D	54.3	Low	52.2	Low	128 Å²	128	132 Å²	132	68%	0.684	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-11.5	176.3	-65.1	-34.6	0	0	0	113.4	K43 I45	K43-D47 WeakPolarHBondContact O-CB 3.32Å; K43-D47 PolarHBondContact O-N 3.21Å; K43-D47 VanDerWaalsContact O-OD2 3.1Å; I45-D47 PolarHBondContact O-N 3.04Å
48	T	53.5	Low	50.4	Low	106 Å²	106	132 Å²	132	65%	0.65	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-2.1	179.9	55.8	0	0	0	0	114.8	K44 I45 E46	K44-T48 VanDerWaalsContact O-CG2 3.31Å; K44-T48 WeakPolarHBondContact O-CG2 3.41Å; K44-T48 PolarHBondContact O-OG1 3.34Å; K44-T48 VanDerWaalsContact O-OG1 3.06Å; I45-T48 PolarHBondContact O-N 3.45Å; I45-T48 PolarHBondContact O-OG1 3.44Å; E46-T48 PolarHBondContact O-N 3.5Å
49	S	46.8	Very low	48.8	Very low	90 Å²	90	138.4 Å²	138.4	63%	0.629	70%	0.704	S	S	*	*	S	Bend	trans	-109.5	4.9	178.5	60.6	0	0	0	0	114.2	I45 E46	I45-S49 PolarHBondContact O-N 3.02Å; E46-S49 PolarHBondContact O-N 2.76Å; E46-S49 PolarHBondContact O-OG 2.9Å
50	L	43.9	Very low	47.1	Very low	148 Å²	148	138.8 Å²	138.8	78%	0.775	71%	0.708	S	S	*	*	S	Bend	trans	-126.8	66.6	-178.8	-79	168	0	0	0	111.5
51	K	40.9	Very low	45.5	Very low	198 Å²	198	140 Å²	140	86%	0.861	72%	0.723	S	S	*	*			trans	-166.6	85.4	164	-112.7	166.7	-173	176.2	0	111.5
52	D	36.8	Very low	44.1	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	73%	0.725	S	S	*	*	S	Bend	trans	-157.6	155.1	135.6	-95.7	-36.3	0	0	0	108.4
53	N	37.5	Very low	43.1	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	75%	0.751	S	S	*	*			trans	-92.9	150.7	-154.2	-68.7	-65.9	0	0	0	114.8
54	P	36.8	Very low	41.8	Very low	113 Å²	113	142.4 Å²	142.4	73%	0.734	76%	0.758	S	S	*	*			trans	-77.8	150.2	172.5	34	-35.2	0	0	0	111.9
55	N	38.4	Very low	41.2	Very low	171 Å²	171	140.1 Å²	140.1	91%	0.914	76%	0.759	S	S	*	*			trans	-144.7	92	162.9	-97.8	-23.2	0	0	0	108
56	D	33	Very low	40.5	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	77%	0.774	S	S	*	*			trans	-149.2	125.4	162.6	-156.5	-8.3	0	0	0	108
57	F	37.8	Very low	39.7	Very low	194 Å²	194	145.2 Å²	145.2	85%	0.851	79%	0.786	S	S	*	*			trans	-140.6	77.6	-168.5	-127.5	-70.2	0	0	0	109.9
58	T	33	Very low	39	Very low	118 Å²	118	147.6 Å²	147.6	72%	0.724	80%	0.798	S	S	*	*			trans	-73.4	125.2	171.9	54.9	0	0	0	0	110.3
59	F	37	Very low	38.3	Very low	175 Å²	175	151.5 Å²	151.5	77%	0.768	81%	0.806	S	S	*	*			trans	-146.1	135.8	159.7	-128.1	-90.8	0	0	0	113.8
60	E	36.6	Very low	38	Very low	171 Å²	171	155.9 Å²	155.9	80%	0.799	82%	0.82	S	S	*	*			trans	59.1	138.9	165.9	-87.9	172.3	-151.7	0	0	123.4
61	T	33.6	Very low	37.9	Very low	142 Å²	142	152.5 Å²	152.5	87%	0.871	82%	0.821	S	S	*	*			trans	-108.7	138.3	175.4	50.3	0	0	0	0	109.4
62	G	35.5	Very low	37.9	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	82%	0.818	S	S	*	*			trans	177.3	103.5	174.1	0	0	0	0	0	118.9
63	K	39.3	Very low	38.2	Very low	218 Å²	218	149.3 Å²	149.3	95%	0.948	82%	0.82	S	S	*	*			trans	65.3	125	145.4	-59.2	170.5	-176	170.6	0	119.1
64	S	34.8	Very low	38.4	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	82%	0.82	S	S	*	*			trans	-90.6	-165.6	163.4	65.3	0	0	0	0	110.2
65	P	44.4	Very low	38.8	Very low	104 Å²	104	154.9 Å²	154.9	68%	0.675	83%	0.828	S	S	*	*			cis	-129.3	-176.7	-21.4	38.9	-24	0	0	0	112.4
66	K	41.3	Very low	39	Very low	206 Å²	206	154.8 Å²	154.8	90%	0.896	82%	0.822	S	S	*	*				-176.4	154.1	128.8	-99.8	153.6	-172	175.8	0	113.4
67	T	37.6	Very low	39.7	Very low	130 Å²	130	156 Å²	156	80%	0.798	83%	0.828	S	S	*	*			trans	-106.6	146.2	-176	52.6	0	0	0	0	112.6
68	L	41.3	Very low	39.8	Very low	178 Å²	178	155.6 Å²	155.6	93%	0.932	83%	0.826	S	S	*	*			trans	-136.3	162.6	154.5	-93.8	170.9	0	0	0	110.4
69	K	38.7	Very low	40.4	Very low	189 Å²	189	156.8 Å²	156.8	82%	0.822	83%	0.833	S	S	*	*			trans	-125.7	178.1	-168.8	-66.7	-179	178.1	177.3	0	111.6
70	I	40	Very low	40.8	Very low	181 Å²	181	156.5 Å²	156.5	93%	0.928	83%	0.831	S	S	*	*			trans	94.1	136	160.5	-53.1	159	0	0	0	114.4
71	G	41.5	Very low	41.1	Very low	77 Å²	77	154.5 Å²	154.5	79%	0.794	83%	0.834	S	S	*	*			trans	135	100.8	-179.2	0	0	0	0	0	110.8
72	A	40.2	Very low	41.6	Very low	95 Å²	95	154 Å²	154	79%	0.785	82%	0.824	S	S	*	*			trans	-117.6	153.1	-177.9	0	0	0	0	0	111.1
73	H	44.2	Very low	41.8	Very low	199 Å²	199	158.2 Å²	158.2	92%	0.921	83%	0.83	S	S	*	*			trans	-164	157.7	130.7	-110.7	-83.6	0	0	0	110.3
74	K	40.8	Very low	42.1	Very low	184 Å²	184	154.6 Å²	154.6	80%	0.8	82%	0.816	S	S	*	*			trans	-96.7	153.3	-175.1	-57.9	171.9	-178.4	173.3	0	111.1
75	H	46.4	Very low	42.4	Very low	197 Å²	197	156.6 Å²	156.6	91%	0.912	82%	0.818	S	S	*	*				-158.2	150.1	125.7	-107.3	-77.4	0	0	0	110.5
76	H	42.3	Very low	42.5	Very low	169 Å²	169	158.3 Å²	158.3	78%	0.782	82%	0.822	S	S	*	*			trans	-94.2	145.6	-178.7	-80.9	-60.7	0	0	0	112.3
77	N	47.2	Very low	42.7	Very low	169 Å²	169	157.1 Å²	157.1	90%	0.904	82%	0.819	S	S	*	*			trans	-147.8	147.9	134.4	-117.3	-30.2	0	0	0	110.2
78	K	40.1	Very low	42.9	Very low	186 Å²	186	158.6 Å²	158.6	81%	0.809	82%	0.822	S	S	*	*			trans	-151.7	108.7	-165.2	-172.6	-180	-174.8	179	0	111.2
79	V	46.1	Very low	42.7	Very low	144 Å²	144	154.2 Å²	154.2	87%	0.873	81%	0.812	S	S	*	*			trans	-120.1	140.6	175.4	-177.6	0	0	0	0	109.1
80	K	44.3	Very low	42.7	Very low	168 Å²	168	150.2 Å²	150.2	73%	0.73	81%	0.808	S	S	*	*			trans	-95.7	152.9	-178	-55.7	173.4	-178.8	174.3	0	110.6	I82	K80-I82 HydrophobicContact CB-CG1 4.49Å
81	P	43.6	Very low	42.7	Very low	130 Å²	130	149.7 Å²	149.7	84%	0.844	81%	0.806	S	S	*	*			trans	-66.6	142.6	148.8	32.3	-32.5	0	0	0	108.9
82	I	43.3	Very low	42.6	Very low	131 Å²	131	151.5 Å²	151.5	67%	0.672	81%	0.806	S	S	*	*			trans	-121.9	139.3	176.6	-63.9	179.8	0	0	0	108.2	K80 H84	K80-I82 HydrophobicContact CB-CG1 4.49Å; I82-H84 VanDerWaalsContact CG2-CD2 3.41Å; I82-H84 WeakPolarHBondContact CG2-CD2 3.44Å
83	N	40.9	Very low	42.4	Very low	158 Å²	158	152 Å²	152	85%	0.845	80%	0.804	S	S	*	*			trans	-122.3	121.3	178.4	-159.8	22.9	0	0	0	107.2
84	H	46.1	Very low	42.4	Very low	141 Å²	141	150.6 Å²	150.6	65%	0.653	80%	0.803	S	S	*	*			trans	-131.4	116.5	176.6	-93.7	-81.6	0	0	0	110.1	I82 D86	I82-H84 VanDerWaalsContact CG2-CD2 3.41Å; I82-H84 WeakPolarHBondContact CG2-CD2 3.44Å; H84-D86 IonicContact CG-OD2 3.89Å; H84-D86 IonicContact ND1-OD2 3.38Å; H84-D86 PolarHBondContact ND1-OD2 3.3Å
85	N	39.7	Very low	42.2	Very low	152 Å²	152	151.4 Å²	151.4	81%	0.813	81%	0.807	S	S	*	*			trans	-88	133.1	149.6	-75.7	-20.1	0	0	0	106.6
86	D	47.3	Very low	42	Very low	140 Å²	140	150 Å²	150	75%	0.749	80%	0.804	S	S	*	*			trans	-133	129.1	165.5	-81.5	-64	0	0	0	109.6	H84	H84-D86 IonicContact CG-OD2 3.89Å; H84-D86 IonicContact ND1-OD2 3.38Å; H84-D86 PolarHBondContact ND1-OD2 3.3Å
87	H	44.9	Very low	41.8	Very low	181 Å²	181	149.7 Å²	149.7	84%	0.838	80%	0.803	S	S	*	*			trans	-92.5	124.6	172.6	-76.6	-88.6	0	0	0	109.6
88	N	41.5	Very low	41.3	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	80%	0.8	S	S	*	*			trans	-160.3	120	147.3	-88	-48.7	0	0	0	106.9
89	A	37.8	Very low	41.2	Very low	85 Å²	85	150.9 Å²	150.9	70%	0.702	80%	0.803	S	S	*	*			cis	93.1	135.7	43.6	0	0	0	0	0	113.6
90	S	38.1	Very low	40.8	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	80%	0.803	S	S	*	*			trans	89.4	123.1	169.6	81.3	0	0	0	0	119.6
91	L	40.1	Very low	40.5	Very low	170 Å²	170	152.8 Å²	152.8	89%	0.89	81%	0.81	S	S	*	*			trans	64.6	143.9	144.8	-58.2	165.7	0	0	0	118.8
92	S	39	Very low	40.2	Very low	115 Å²	115	151 Å²	151	80%	0.804	81%	0.807	S	S	*	*			cis	-142.2	168.9	2.9	61.9	0	0	0	0	112.1
93	S	37.5	Very low	40.1	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	81%	0.81	S	S	*	*			trans	-95.1	144.6	-175.4	56.5	0	0	0	0	114
94	N	43.6	Very low	40.1	Very low	170 Å²	170	149.1 Å²	149.1	91%	0.909	80%	0.801	S	S	*	*			trans	-148.3	134.3	149.3	-97.7	-41.4	0	0	0	111.4
95	K	36.6	Very low	39.6	Very low	201 Å²	201	149.2 Å²	149.2	87%	0.874	81%	0.811	S	S	*	*			trans	-100.8	136.8	177.3	-69.8	173.1	175	174.1	0	109.9
96	I	41	Very low	39.7	Very low	166 Å²	166	151 Å²	151	85%	0.851	81%	0.811	S	S	*	*			trans	-136.8	138.7	145.6	-61.5	-172.9	0	0	0	110.1
97	E	38.9	Very low	39	Very low	164 Å²	164	147.9 Å²	147.9	77%	0.766	81%	0.813	S	S	*	*			trans	-31.2	132.6	175	-59.6	175.4	151	0	0	116.5
98	Q	36.6	Very low	38.8	Very low	180 Å²	180	145.1 Å²	145.1	84%	0.841	81%	0.813	S	S	*	*				55.6	108.4	77.6	-70.9	-163.7	14.4	0	0	116.3
99	K	39.2	Very low	38.6	Very low	200 Å²	200	147.2 Å²	147.2	87%	0.87	82%	0.815	S	S	*	*				-166.1	151.3	123	-105	149.1	-170.5	159.8	0	112.1
100	N	36.2	Very low	38.8	Very low	163 Å²	163	153.3 Å²	153.3	87%	0.872	83%	0.826	S	S	*	*			trans	-100.7	147.3	-178.2	-49.6	-55.6	0	0	0	110.3
101	E	38.7	Very low	38.9	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	82%	0.822	S	S	*	*			trans	-156.8	139	144.1	-129.1	173.3	-149.5	0	0	112.1
102	A	36.8	Very low	38.8	Very low	93 Å²	93	153.6 Å²	153.6	77%	0.769	81%	0.812	S	S	*	*			trans	-135.5	117.4	-179.7	0	0	0	0	0	110
103	V	42.7	Very low	38.8	Very low	123 Å²	123	157.2 Å²	157.2	75%	0.745	81%	0.813	S	S	*	*			trans	-110	86.8	-167.7	-172.7	0	0	0	0	112.9
104	I	39	Very low	38.9	Very low	127 Å²	127	158.5 Å²	158.5	65%	0.651	81%	0.811	S	S	*	*			trans	45.1	110.3	132.2	-55.4	173	0	0	0	117.9	K106	I104-K106 HydrophobicContact CG2-CD 4.49Å; I104-K106 HydrophobicContact CG2-CG 4.02Å
105	V	37.3	Very low	38.7	Very low	142 Å²	142	158.1 Å²	158.1	86%	0.861	80%	0.801	S	S	*	*			trans	-69	134.2	159.8	175.8	0	0	0	0	110.9
106	K	41.9	Very low	38.7	Very low	190 Å²	190	159.3 Å²	159.3	83%	0.826	80%	0.8	S	S	*	*			trans	-133.8	93.8	163.8	-78	-174.2	-179.7	175.9	0	112.5	I104	I104-K106 HydrophobicContact CG2-CD 4.49Å; I104-K106 HydrophobicContact CG2-CG 4.02Å
107	G	31	Very low	38.7	Very low	75 Å²	75	159.9 Å²	159.9	77%	0.773	80%	0.797	S	S	*	*			trans	-78.4	151.1	161.4	0	0	0	0	0	111.4
108	S	41.4	Very low	38.7	Very low	122 Å²	122	160 Å²	160	85%	0.853	80%	0.797	S	S	*	*			trans	-146.5	125.7	166.8	56	0	0	0	0	111.7
109	K	37.6	Very low	38.4	Very low	206 Å²	206	156.5 Å²	156.5	90%	0.896	79%	0.792	S	S	*	*			trans	-91.9	139.4	172.6	-64	175.2	179.4	175	0	109.2
110	K	42.3	Very low	38.9	Very low	214 Å²	214	152.8 Å²	152.8	93%	0.93	79%	0.788	S	S	*	*			trans	-141	161.2	154.2	-80.1	-156.9	173.9	-173.4	0	109.7
111	D	39.6	Very low	39.1	Very low	123 Å²	123	149.4 Å²	149.4	66%	0.658	78%	0.778	S	S	*	*				-138.8	158.3	-129.5	-148.3	16.7	0	0	0	113.8
112	K	38.9	Very low	39.1	Very low	159 Å²	159	147.5 Å²	147.5	69%	0.691	77%	0.774	S	S	*	*			trans	72	131.1	153.3	-73.9	158.6	176.6	125.1	0	122.6
113	K	37.9	Very low	39.2	Very low	191 Å²	191	146.8 Å²	146.8	83%	0.83	77%	0.767	S	S	*	*			trans	75.6	148.7	150.5	-65.7	169.7	-179.1	178.4	0	116.6
114	L	40.4	Very low	39	Very low	131 Å²	131	152.4 Å²	152.4	69%	0.686	78%	0.775	S	S	*	*			cis	-151.4	135	19.2	-163.2	69.7	0	0	0	115.1
115	K	38.4	Very low	39	Very low	163 Å²	163	150.9 Å²	150.9	71%	0.709	78%	0.776	S	S	*	*			trans	42.8	123.3	151	-65.4	173.3	-178.6	177.9	0	123.8
116	R	37.9	Very low	39.1	Very low	225 Å²	225	150.9 Å²	150.9	85%	0.849	77%	0.771	S	S	*	*				47.9	139.9	122.3	-55.7	177.3	172.4	168.1	-4.2	119.8
117	K	40.1	Very low	38.9	Very low	178 Å²	178	149.1 Å²	149.1	77%	0.774	77%	0.771	S	S	*	*				-163.4	142.8	55	-92	-173.9	160.4	-168.5	0	115.4
118	H	38.2	Very low	39.1	Very low	168 Å²	168	152 Å²	152	78%	0.778	77%	0.773	S	S	*	*			trans	62	159.8	147.1	-57.8	-59.4	0	0	0	124.3
119	S	31.8	Very low	38.8	Very low	106 Å²	106	153.4 Å²	153.4	74%	0.741	77%	0.77	S	S	*	*			trans	-150.4	-166.8	-164.5	58.2	0	0	0	0	108.1
120	P	48.3	Very low	39	Very low	121 Å²	121	150.6 Å²	150.6	79%	0.786	76%	0.764	S	S	*	*			cis	-119.3	-147.1	-4.9	38.6	-17	0	0	0	110.8
121	S	41.1	Very low	38.6	Very low	93 Å²	93	146.5 Å²	146.5	65%	0.65	75%	0.752	S	S	*	*			cis	-151.8	-162	2.4	53.8	0	0	0	0	109.9
122	D	39.1	Very low	38.4	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	75%	0.753	S	S	*	*			cis	-158.8	-168.6	13.8	-135.1	-53.9	0	0	0	115.5
123	A	38.9	Very low	38.3	Very low	77 Å²	77	144 Å²	144	64%	0.636	76%	0.759	S	S	*	*			trans	-83.3	177.2	-171.8	0	0	0	0	0	116.5
124	R	37.6	Very low	38.2	Very low	242 Å²	242	140.9 Å²	140.9	91%	0.913	76%	0.756	S	S	*	*			cis	-139.4	170.1	13.8	-84.2	-172.2	169.7	129.4	1.3	113.1
125	S	39.2	Very low	38.1	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	76%	0.758	S	S	*	*			trans	-89.1	-169.2	172.3	46.1	0	0	0	0	112
126	D	40.6	Very low	37.9	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	76%	0.762	S	S	*	*			cis	-156.4	-178	41.2	-71.8	-61	0	0	0	114.4
127	N	36	Very low	37.8	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	76%	0.756	S	S	*	*			trans	-129.4	141.7	179.3	-50.3	-79.5	0	0	0	113.6
128	T	36.9	Very low	37.6	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	76%	0.764	S	S	*	*			trans	-179.3	126.2	152.7	37.5	0	0	0	0	106.8
129	I	34.8	Very low	37.3	Very low	152 Å²	152	138 Å²	138	78%	0.779	77%	0.768	S	S	*	*				71.2	120.7	51.1	-43.4	173.9	0	0	0	114.7
130	L	41.3	Very low	37.4	Very low	147 Å²	147	144.3 Å²	144.3	77%	0.77	78%	0.776	S	S	*	*			trans	120.4	128.7	156.8	-64.9	-174.7	0	0	0	119.8
131	D	33.2	Very low	36.9	Very low	128 Å²	128	147 Å²	147	68%	0.684	78%	0.775	S	S	*	*			trans	62.6	92.2	137	-54.7	-9.9	0	0	0	124.6
132	S	36.3	Very low	36.6	Very low	96 Å²	96	150.5 Å²	150.5	67%	0.671	78%	0.781	S	S	*	*				42.8	149.1	111.6	70.5	0	0	0	0	124.9
133	T	36.1	Very low	36.2	Very low	134 Å²	134	148.4 Å²	148.4	82%	0.822	78%	0.778	S	S	*	*			trans	104.5	165.1	154.2	74.3	0	0	0	0	119.7
134	V	36.1	Very low	36	Very low	126 Å²	126	149.7 Å²	149.7	76%	0.764	79%	0.789	S	S	*	*			trans	76.2	73.7	173.2	-159.4	0	0	0	0	119.2
135	L	37.8	Very low	36	Very low	140 Å²	140	142.3 Å²	142.3	73%	0.733	77%	0.774	S	S	*	*				32	140.7	115.7	-70.9	172.6	0	0	0	122.7
136	K	34.6	Very low	35.7	Very low	185 Å²	185	146.4 Å²	146.4	80%	0.804	78%	0.783	S	S	*	*			trans	71.2	151.4	148.3	-70.5	168.5	-176.7	177.9	0	117
137	S	36	Very low	35.4	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	78%	0.782	S	S	*	*			cis	-172.3	145.2	-16.3	48.2	0	0	0	0	110.4
138	E	35.2	Very low	35.5	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	77%	0.774	S	S	*	*			trans	-159.6	155.8	149.5	-122.3	165.6	-170.4	0	0	113
139	M	32.2	Very low	35.3	Very low	178 Å²	178	143.7 Å²	143.7	88%	0.877	77%	0.77	S	S	*	*			trans	-143.1	150.4	-176	-77.7	-169.7	172.6	0	0	110.9
140	R	34.5	Very low	35.5	Very low	238 Å²	238	146 Å²	146	90%	0.898	77%	0.774	S	S	*	*			trans	138.9	150.5	157.6	-81.1	157.4	-174	-168	1.8	110.3
141	K	36.7	Very low	35.1	Very low	177 Å²	177	147.3 Å²	147.3	77%	0.77	77%	0.773	S	S	*	*			cis	-164.3	-174.9	-31.3	-127.4	-175.9	-178.6	-172.2	0	107
142	E	34.9	Very low	35.4	Very low	167 Å²	167	150.7 Å²	150.7	78%	0.78	78%	0.782	S	S	*	*			trans	64.7	126.5	173.3	-65.8	128	-123.3	0	0	116.9
143	S	31.6	Very low	35.4	Very low	104 Å²	104	155.4 Å²	155.4	73%	0.727	79%	0.79	S	S	*	*			cis	93	135.5	13	89.4	0	0	0	0	117.2
144	A	34	Very low	35.3	Very low	103 Å²	103	157.1 Å²	157.1	85%	0.851	79%	0.789	S	S	*	*			trans	69.8	148.4	179.9	0	0	0	0	0	115.5
145	S	37.2	Very low	35.3	Very low	88 Å²	88	159.2 Å²	159.2	62%	0.615	80%	0.795	S	S	*	*			cis	-150.6	169.2	-14.3	60	0	0	0	0	112.2
146	E	34.2	Very low	35	Very low	181 Å²	181	157.6 Å²	157.6	85%	0.846	80%	0.796	S	S	*	*			trans	63.8	143.3	145.5	-71.9	151.3	147.4	0	0	123.9
147	S	34	Very low	35.2	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	79%	0.794	S	S	*	*			trans	-121	171.8	162.8	75.3	0	0	0	0	107.1
148	P	38.6	Very low	35.2	Very low	102 Å²	102	154.2 Å²	154.2	66%	0.662	79%	0.791	S	S	*	*				-164.8	-172.6	65.9	44.6	-21.3	0	0	0	119
149	F	32.3	Very low	35.3	Very low	166 Å²	166	152.6 Å²	152.6	73%	0.728	79%	0.788	S	S	*	*			trans	50.3	120.8	146.8	-78.5	-59.7	0	0	0	124.3	K151	F149-K151 HydrophobicContact CD1-CG 4.49Å
150	K	38.1	Very low	35.3	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	78%	0.78	S	S	*	*				-174.9	118	116	-94.5	146.6	-173.9	169.6	0	108.7
151	K	34.5	Very low	35.2	Very low	173 Å²	173	147.6 Å²	147.6	75%	0.752	78%	0.781	S	S	*	*				91.2	139.3	56.9	-85.9	-167.9	174.6	-179.5	0	114.5	F149	F149-K151 HydrophobicContact CD1-CG 4.49Å
152	K	37.9	Very low	35.3	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	79%	0.785	S	S	*	*			trans	97.4	134.2	177.7	-59.9	174.2	-179.1	175.6	0	114.5
153	K	36.2	Very low	35.1	Very low	195 Å²	195	147.8 Å²	147.8	85%	0.848	79%	0.79	S	S	*	*			cis	-151.7	155.5	-3.9	-125.5	-177.5	179.2	-167.7	0	110.7
154	H	35.4	Very low	35.4	Very low	169 Å²	169	148.7 Å²	148.7	78%	0.782	80%	0.795	S	S	*	*			trans	-88.1	168.1	177.3	-63.7	-109	0	0	0	112.4
155	N	35.7	Very low	35.4	Very low	170 Å²	170	150.8 Å²	150.8	91%	0.909	79%	0.791	S	S	*	*				-162.2	134.2	120.8	-100.9	5.1	0	0	0	111.1
156	S	30.8	Very low	35.7	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	80%	0.802	S	S	*	*			trans	-163.9	134.8	176.8	54.7	0	0	0	0	110.9
157	T	38.6	Very low	35.6	Very low	126 Å²	126	152.5 Å²	152.5	77%	0.773	80%	0.799	S	S	*	*			trans	-143.3	120.1	179.4	38.4	0	0	0	0	106.7
158	S	37.4	Very low	35.8	Very low	92 Å²	92	155.2 Å²	155.2	64%	0.643	81%	0.805	S	S	*	*				66.5	128.7	72.2	75.9	0	0	0	0	112.1
159	N	35.9	Very low	35.5	Very low	165 Å²	165	159.5 Å²	159.5	88%	0.882	81%	0.813	S	S	*	*			cis	-157.3	178.3	9.8	-95.5	-18.5	0	0	0	111.1
160	G	33.9	Very low	35.7	Very low	68 Å²	68	160 Å²	160	70%	0.701	82%	0.822	S	S	*	*			trans	96.8	114.7	174.6	0	0	0	0	0	112.1
161	R	32.5	Very low	35.6	Very low	242 Å²	242	154.6 Å²	154.6	91%	0.913	82%	0.815	S	S	*	*			cis	59.1	108.9	29.5	-76.3	-170.5	178.2	168.6	-0.8	114.7
162	N	36.9	Very low	35.4	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	82%	0.819	S	S	*	*				-163.2	120.4	129.3	-93	-9.1	0	0	0	108.2
163	E	31.2	Very low	35.3	Very low	188 Å²	188	152 Å²	152	88%	0.879	82%	0.82	S	S	*	*			trans	-88.5	141.6	161.6	-70.7	158.3	117.9	0	0	107.9
164	C	38.6	Very low	35	Very low	123 Å²	123	145.4 Å²	145.4	83%	0.831	81%	0.808	S	S	*	*			trans	-144.6	104.7	164.2	-79.6	0	0	0	0	108.2
165	D	33.4	Very low	34.9	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	81%	0.81	S	S	*	*			trans	-64.4	143.6	163.4	-73.7	-63.7	0	0	0	110.4
166	L	43.4	Very low	34.7	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	80%	0.802	S	S	*	*			trans	-151.4	84.8	159.3	-117.2	159.1	0	0	0	110.2
167	N	33	Very low	34.7	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	81%	0.805	S	S	*	*			trans	-58	135	164.6	-74.7	-75	0	0	0	109.6
168	N	37.5	Very low	34.7	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	81%	0.809	S	S	*	*			trans	-145.9	133.3	149.2	-127.4	-21.7	0	0	0	111.7
169	K	32.7	Very low	34.3	Very low	192 Å²	192	152.4 Å²	152.4	84%	0.835	82%	0.818	S	S	*	*			trans	-91.7	142	-178.8	-62.6	170.7	179.2	173.4	0	109.6
170	I	37	Very low	34.4	Very low	176 Å²	176	152.4 Å²	152.4	90%	0.903	82%	0.817	S	S	*	*			trans	178.5	140.8	152.4	-92	142.6	0	0	0	105.2
171	A	34.9	Very low	34.5	Very low	89 Å²	89	157.9 Å²	157.9	74%	0.736	82%	0.822	S	S	*	*			cis	-161.8	163.7	-29.8	0	0	0	0	0	105.6
172	C	30.1	Very low	34.4	Very low	125 Å²	125	152.1 Å²	152.1	85%	0.845	81%	0.813	S	S	*	*			trans	-90.7	120.2	-172.2	-62.2	0	0	0	0	113.7
173	H	36.5	Very low	34.3	Very low	192 Å²	192	152.5 Å²	152.5	89%	0.889	82%	0.815	S	S	*	*			trans	-149.4	137.8	149.5	-78.8	-79.5	0	0	0	107.6
174	G	29.6	Very low	34.5	Very low	57 Å²	57	150.5 Å²	150.5	59%	0.588	81%	0.811	S	S	*	*			cis	110.1	119.1	0.3	0	0	0	0	0	111.4
175	V	32.7	Very low	34.4	Very low	136 Å²	136	154.4 Å²	154.4	82%	0.824	81%	0.814	S	S	*	*			trans	71.3	142.4	-170	-160.7	0	0	0	0	109.9
176	E	32.7	Very low	34.3	Very low	159 Å²	159	156.2 Å²	156.2	74%	0.743	82%	0.817	S	S	*	*			cis	-139.4	150.4	22.6	-160.4	150.1	-129.4	0	0	114.5
177	T	31.3	Very low	34.1	Very low	133 Å²	133	155.1 Å²	155.1	82%	0.816	82%	0.818	S	S	*	*			trans	-102.6	117.9	169.9	53.2	0	0	0	0	110.8
178	L	37.7	Very low	34.1	Very low	160 Å²	160	152.6 Å²	152.6	84%	0.838	81%	0.811	S	S	*	*			trans	-102.8	127.3	169.9	-72.9	178.5	0	0	0	112
179	R	29.5	Very low	34.3	Very low	222 Å²	222	151.2 Å²	151.2	84%	0.838	80%	0.803	S	S	*	*			trans	-131.8	91	-168.5	-178.5	-178	-177.1	169.8	1.4	109.8
180	L	37.8	Very low	34.5	Very low	166 Å²	166	149.6 Å²	149.6	87%	0.869	80%	0.799	S	S	*	*			trans	-111	94.7	172.1	-61	176	0	0	0	107.1
181	K	35	Very low	34.4	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.796	80%	0.795	S	S	*	*				61	99.7	81.3	-71.4	-168.1	173.7	-177	0	112.3
182	T	30	Very low	34.8	Very low	120 Å²	120	152.5 Å²	152.5	74%	0.736	80%	0.796	S	S	*	*			trans	-41.5	145.9	162.3	48.5	0	0	0	0	113.8
183	N	36.7	Very low	35.3	Very low	169 Å²	169	154.7 Å²	154.7	90%	0.904	80%	0.797	S	S	*	*			trans	-149.5	116.4	143.2	-97.2	-30.9	0	0	0	108.8
184	N	33.5	Very low	35.3	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	80%	0.795	S	S	*	*			trans	-78.7	139.7	174.4	-61.4	-5.5	0	0	0	109.2
185	K	36.6	Very low	35.6	Very low	204 Å²	204	159.2 Å²	159.2	89%	0.887	81%	0.809	S	S	*	*			trans	-159.7	114.5	146.8	-114.9	166.6	-173.3	-179.5	0	110.5
186	E	33	Very low	35.9	Very low	184 Å²	184	161.2 Å²	161.2	86%	0.86	81%	0.813	S	S	*	*			trans	-76.1	137	169.3	-56.7	146	125	0	0	108.8
187	T	38.7	Very low	35.9	Very low	139 Å²	139	159.3 Å²	159.3	85%	0.853	82%	0.817	S	S	*	*			trans	-156	139.4	151.3	36.6	0	0	0	0	109.6
188	S	32.7	Very low	36.1	Very low	91 Å²	91	158.6 Å²	158.6	64%	0.636	82%	0.817	S	S	*	*			trans	-33.6	139.9	173.8	-176.5	0	0	0	0	115.6	E190	S188-E190 PolarHBondContact OG-N 2.96Å
189	L	41.3	Very low	36.3	Very low	132 Å²	132	156.8 Å²	156.8	69%	0.691	81%	0.812	S	S	*	*			trans	-138	45.7	158.5	-128.8	174.1	0	0	0	111.9	K192	L189-K192 HydrophobicContact CD2-CB 4.26Å; L189-K192 HydrophobicContact CD2-CD 3.74Å; L189-K192 HydrophobicContact CD2-CG 3.81Å
190	E	37	Very low	36.8	Very low	157 Å²	157	154 Å²	154	73%	0.734	81%	0.813	S	S	*	*			trans	-65.2	-178.8	145.6	-60.3	-175.6	135.5	0	0	108.9	S188	S188-E190 PolarHBondContact OG-N 2.96Å
191	D	34.8	Very low	36.5	Very low	155 Å²	155	153.2 Å²	153.2	83%	0.829	81%	0.81	S	S	*	*	S	Bend	trans	66.5	37.2	176.9	-55.3	-21	0	0	0	119
192	K	44	Very low	36.8	Very low	172 Å²	172	151.4 Å²	151.4	75%	0.748	81%	0.814	S	S	*	*	S	Bend	trans	-130.1	0.3	169.2	-75.7	-159.7	-178.4	175.4	0	120	L189	L189-K192 HydrophobicContact CD2-CB 4.26Å; L189-K192 HydrophobicContact CD2-CD 3.74Å; L189-K192 HydrophobicContact CD2-CG 3.81Å
193	I	41.3	Very low	37.2	Very low	170 Å²	170	154.1 Å²	154.1	87%	0.872	82%	0.818	S	S	*	*	S	Bend	trans	-133.9	59	171.3	-42.6	-178.6	0	0	0	111.7
194	Q	34.8	Very low	37.4	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	81%	0.809	S	S	*	*			trans	-127.3	77.5	160.9	-75.5	-170.5	-3.2	0	0	109.7
195	N	36.3	Very low	37.6	Very low	163 Å²	163	154.1 Å²	154.1	87%	0.872	81%	0.814	S	S	*	*			trans	-172.8	99.1	160.1	-104.4	-32.6	0	0	0	110.3
196	L	39.9	Very low	37.5	Very low	177 Å²	177	148.6 Å²	148.6	93%	0.927	80%	0.801	S	S	*	*			trans	-178.6	70	155.2	-104	168.8	0	0	0	109.4
197	C	32.2	Very low	37.6	Very low	120 Å²	120	146.4 Å²	146.4	81%	0.811	80%	0.801	S	S	*	*			trans	-143.2	155.7	169.2	-89.9	0	0	0	0	108.8
198	S	35.9	Very low	37.4	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	79%	0.792	S	S	*	*			trans	67.7	126	-171	75	0	0	0	0	115.9
199	V	41.7	Very low	37.8	Very low	123 Å²	123	146.6 Å²	146.6	75%	0.745	80%	0.797	S	S	*	*				161.1	99.1	117.1	166.7	0	0	0	0	109
200	L	39.2	Very low	37.8	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	79%	0.793	S	S	*	*			trans	67.9	127.4	151.1	-57.8	173	0	0	0	122.1
201	D	32.2	Very low	37.9	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	80%	0.798	S	S	*	*			trans	-72	161.7	159.5	-48.6	-98.4	0	0	0	113.1
202	V	41.4	Very low	38	Very low	145 Å²	145	149.4 Å²	149.4	88%	0.879	80%	0.802	S	S	*	*			trans	-166.1	149.5	137.8	136.7	0	0	0	0	109.7
203	H	38.6	Very low	37.7	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.815	80%	0.8	S	S	*	*			trans	-86.8	158.7	-168.1	-87.3	-86.1	0	0	0	116.2
204	P	40.6	Very low	37.8	Very low	112 Å²	112	143 Å²	143	73%	0.727	80%	0.796	S	S	*	*			trans	-94.7	154.4	-178.3	37.4	-36.3	0	0	0	115.4
205	K	37	Very low	37.8	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	79%	0.794	S	S	*	*			trans	-171.2	160.9	167.5	-96.6	161.5	-174.2	174.8	0	107.2
206	S	34.1	Very low	37.9	Very low	88 Å²	88	146.1 Å²	146.1	62%	0.615	80%	0.795	S	S	*	*			cis	-179.2	147.7	-29.7	50.3	0	0	0	0	107.8
207	T	35.2	Very low	37.6	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	79%	0.786	S	S	*	*			trans	57.4	172.1	174.8	49.4	0	0	0	0	115.7
208	S	36.4	Very low	38.1	Very low	95 Å²	95	147.2 Å²	147.2	66%	0.664	79%	0.792	S	S	*	*				-148.4	-166.8	-64.6	57.6	0	0	0	0	107.4
209	D	39.9	Very low	37.9	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	78%	0.784	S	S	*	*			cis	-162.7	-164.4	10.9	-136	-52	0	0	0	112
210	D	40.9	Very low	37.8	Very low	117 Å²	117	149.7 Å²	149.7	63%	0.626	79%	0.792	S	S	*	*			trans	62.5	105.7	155.3	-86.3	-36.3	0	0	0	123.3
211	Q	38.7	Very low	37.5	Very low	176 Å²	176	148.9 Å²	148.9	82%	0.822	78%	0.782	S	S	*	*				33.8	126	120.4	-57.7	-177.3	76.7	0	0	121.6
212	K	37.3	Very low	37.6	Very low	211 Å²	211	147.8 Å²	147.8	92%	0.917	78%	0.78	S	S	*	*				-173.4	151.1	100.5	-150.7	158.5	-177.7	171.3	0	112.4
213	A	38.5	Very low	37.3	Very low	85 Å²	85	152.1 Å²	152.1	70%	0.702	78%	0.781	S	S	*	*			trans	-116.1	173.6	171.7	0	0	0	0	0	110.7
214	P	42.5	Very low	37	Very low	122 Å²	122	153 Å²	153	79%	0.792	78%	0.782	S	S	*	*				-151.7	174.9	86.9	40	-21	0	0	0	117.9
215	E	35.9	Very low	36.8	Very low	171 Å²	171	155.8 Å²	155.8	80%	0.799	79%	0.791	S	S	*	*			trans	-14.3	150	157.9	-51.1	-170.9	159.9	0	0	119.1
216	R	36.8	Very low	36.4	Very low	240 Å²	240	155.5 Å²	155.5	91%	0.906	79%	0.79	S	S	*	*				-160.8	162.3	67.6	-129.8	173.8	-174.7	-178	0.6	115.7
217	S	33.6	Very low	36.6	Very low	105 Å²	105	156.7 Å²	156.7	73%	0.734	80%	0.798	S	S	*	*			trans	-103	153.1	-170.7	57.1	0	0	0	0	115.6
218	K	42.9	Very low	36.4	Very low	214 Å²	214	155.8 Å²	155.8	93%	0.93	79%	0.792	S	S	*	*			trans	-142.8	142.3	145.1	-71.6	-164.2	177.9	179.4	0	111.2
219	E	31.6	Very low	36.4	Very low	142 Å²	142	158.8 Å²	158.8	66%	0.664	80%	0.801	S	S	*	*			trans	-85	149.3	174.9	-61.5	-176.3	85.9	0	0	112.4	K221	E219-K221 VanDerWaalsContact CD-NZ 3.26Å; E219-K221 WeakPolarHBondContact OE1-CE 3.42Å; E219-K221 IonicContact OE1-NZ 2.63Å; E219-K221 PolarHBondContact OE1-NZ 3Å; E219-K221 IonicContact OE2-NZ 3.78Å; E219-K221 PolarHBondContact OE2-NZ 3.38Å
220	V	39.7	Very low	36	Very low	151 Å²	151	161.4 Å²	161.4	92%	0.915	81%	0.805	S	S	*	*			trans	-138.6	140.5	131.6	-176.7	0	0	0	0	108.8
221	K	33.2	Very low	35.9	Very low	146 Å²	146	161.3 Å²	161.3	64%	0.635	81%	0.814	S	S	*	*			trans	-91.8	156.3	-178.2	-63	159.7	172.6	87.7	0	110.5	E219	E219-K221 VanDerWaalsContact CD-NZ 3.26Å; E219-K221 WeakPolarHBondContact OE1-CE 3.42Å; E219-K221 IonicContact OE1-NZ 2.63Å; E219-K221 PolarHBondContact OE1-NZ 3Å; E219-K221 IonicContact OE2-NZ 3.78Å; E219-K221 PolarHBondContact OE2-NZ 3.38Å
222	V	34.6	Very low	35.8	Very low	126 Å²	126	162.7 Å²	162.7	76%	0.764	82%	0.817	S	S	*	*				-176.8	146.8	128.4	139.5	0	0	0	0	114.6
223	R	36	Very low	35.6	Very low	237 Å²	237	156.2 Å²	156.2	89%	0.894	81%	0.811	S	S	*	*			trans	56.4	99.1	165.2	-79.1	160.4	-168.9	161.1	3.9	120
224	K	31.4	Very low	35.5	Very low	194 Å²	194	163.5 Å²	163.5	84%	0.843	82%	0.82	S	S	*	*			trans	-59.3	144.9	161.5	-56.6	155.5	-177.8	166.6	0	111.6
225	N	36.6	Very low	35.2	Very low	170 Å²	170	167.6 Å²	167.6	91%	0.909	83%	0.826	S	S	*	*			trans	-139.5	112.4	148.5	-104.2	-30.4	0	0	0	109.5
226	K	29.2	Very low	35.4	Very low	199 Å²	199	166.4 Å²	166.4	87%	0.865	82%	0.823	S	S	*	*			trans	-93	122.2	178.4	-77.4	-176.5	175.2	180	0	110
227	S	37	Very low	35.4	Very low	113 Å²	113	163.9 Å²	163.9	79%	0.79	82%	0.819	S	S	*	*			trans	-125.6	143.1	156.2	65.6	0	0	0	0	109.3
228	V	31.4	Very low	35.6	Very low	119 Å²	119	166.9 Å²	166.9	72%	0.721	82%	0.821	S	S	*	*			trans	-114	100.6	-163.4	178.5	0	0	0	0	110.8	K230	V228-K230 HydrophobicContact CG1-CB 4.34Å
229	N	36	Very low	35.3	Very low	158 Å²	158	163.8 Å²	163.8	85%	0.845	82%	0.815	S	S	*	*			trans	-97.4	98.6	169.2	-85.5	-31.5	0	0	0	110.5	S231	N229-S231 PolarHBondContact O-N 3.09Å
230	K	31.7	Very low	35.5	Very low	193 Å²	193	163.4 Å²	163.4	84%	0.839	82%	0.822	S	S	*	*			trans	-96	66.5	-173	-156.9	168.4	-171.4	171.4	0	111.5	V228 K232	V228-K230 HydrophobicContact CG1-CB 4.34Å; K230-K232 PolarHBondContact O-N 3.04Å
231	S	40	Very low	35.5	Very low	116 Å²	116	161.7 Å²	161.7	81%	0.811	82%	0.816	S	S	*	*			trans	-66.3	124.2	179.2	41.8	0	0	0	0	111.7	N229 G233	N229-S231 PolarHBondContact O-N 3.09Å; S231-G233 PolarHBondContact O-N 3.06Å
232	K	35.8	Very low	35.6	Very low	204 Å²	204	159.9 Å²	159.9	89%	0.887	82%	0.822	S	S	*	*			trans	-85.5	93.9	-178.4	-68.8	178.2	-179.7	174.6	0	110.8	K230 R234	K230-K232 PolarHBondContact O-N 3.04Å; K232-R234 PolarHBondContact O-N 3.32Å
233	G	33.1	Very low	36	Very low	76 Å²	76	162.2 Å²	162.2	78%	0.784	83%	0.829	S	S	*	*			trans	-59.2	121.4	168.9	0	0	0	0	0	111.4	S231	S231-G233 PolarHBondContact O-N 3.06Å
234	R	36.9	Very low	35.8	Very low	238 Å²	238	154 Å²	154	90%	0.898	82%	0.819	S	S	*	*			trans	-84.2	116.9	168.8	-89.3	-179.3	164.7	161.7	-4.8	108.7	K232 I236	K232-R234 PolarHBondContact O-N 3.32Å; R234-I236 PolarHBondContact O-N 2.75Å
235	K	35.5	Very low	36.2	Very low	208 Å²	208	153 Å²	153	90%	0.904	82%	0.821	S	S	*	*			trans	-65.2	115.4	165.2	-66.6	-171.2	175.8	-169.8	0	108.7
236	I	40	Very low	36	Very low	145 Å²	145	154 Å²	154	74%	0.744	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.8	136.3	157.8	-63.2	176.9	0	0	0	105.9	R234 E238	R234-I236 PolarHBondContact O-N 2.75Å; I236-E238 HydrophobicContact CG2-CG 4.36Å
237	K	36.1	Very low	36.6	Very low	187 Å²	187	150.2 Å²	150.2	81%	0.813	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-95	117.6	166.5	-86.1	-167.4	169.6	-163.7	0	107.4
238	E	37.9	Very low	36.7	Very low	169 Å²	169	154.1 Å²	154.1	79%	0.79	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-94	128.1	162	-69.9	172.8	170.3	0	0	107.3	I236	I236-E238 HydrophobicContact CG2-CG 4.36Å
239	N	36.8	Very low	36.7	Very low	149 Å²	149	152.1 Å²	152.1	80%	0.797	83%	0.828	S	S	*	*			trans	-100.3	106.3	171	-72.7	-5.6	0	0	0	106.5
240	V	36	Very low	36.8	Very low	134 Å²	134	152.8 Å²	152.8	81%	0.812	83%	0.83	S	S	*	*			trans	-97.1	112.8	170.4	-178.3	0	0	0	0	107.8
241	S	40.1	Very low	36.8	Very low	114 Å²	114	149 Å²	149	80%	0.797	83%	0.827	S	S	*	*			trans	-92.7	118	167.8	51.3	0	0	0	0	109
242	S	36.1	Very low	36.7	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	82%	0.824	S	S	*	*			trans	-65.1	135.7	177.4	50.9	0	0	0	0	112.8
243	L	41.4	Very low	36.6	Very low	175 Å²	175	145.6 Å²	145.6	92%	0.916	82%	0.818	S	S	*	*			trans	176.1	127.5	148.2	-97	166.7	0	0	0	106.5
244	G	31.8	Very low	36.9	Very low	66 Å²	66	151.3 Å²	151.3	68%	0.68	83%	0.825	S	S	*	*			cis	130	64.9	-4.5	0	0	0	0	0	113.3
245	I	40.5	Very low	36.5	Very low	173 Å²	173	146.3 Å²	146.3	89%	0.887	82%	0.821	S	S	*	*			trans	-153.9	149.2	165.8	-97.8	145	0	0	0	107.7
246	Q	32.8	Very low	36.5	Very low	190 Å²	190	143.2 Å²	143.2	89%	0.888	82%	0.819	S	S	*	*			trans	-105.4	150	-177.5	-63.9	157.1	-64.9	0	0	111.3
247	S	41.6	Very low	36	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	81%	0.813	S	S	*	*			trans	-145.8	124	159.4	57.4	0	0	0	0	108.9
248	Q	38.6	Very low	36	Very low	195 Å²	195	138.2 Å²	138.2	91%	0.911	81%	0.809	S	S	*	*			trans	-77.3	149	176.2	-65.8	176.5	-8.1	0	0	110.2
249	G	31.5	Very low	35.7	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	81%	0.807	S	S	*	*			trans	-93.2	140.8	171.4	0	0	0	0	0	111.4
250	I	38.2	Very low	35.4	Very low	172 Å²	172	133.5 Å²	133.5	88%	0.882	80%	0.802	S	S	*	*			trans	-123	141.5	162.8	-62	178.9	0	0	0	106.6
251	S	31.2	Very low	35.4	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	81%	0.807	S	S	*	*			trans	-129.3	130.2	-174.2	174.3	0	0	0	0	110
252	S	38.9	Very low	35.1	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	81%	0.81	S	S	*	*			trans	-167.3	142.3	154.9	54	0	0	0	0	110.3
253	D	33.6	Very low	35.2	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	81%	0.807	S	S	*	*			trans	-66.6	158	-178.8	-43.6	-89.6	0	0	0	113.1
254	Q	39.1	Very low	35	Very low	195 Å²	195	139.2 Å²	139.2	91%	0.911	80%	0.804	S	S	*	*				-174.7	154.1	106.2	-98.3	170.9	45.9	0	0	113.1
255	T	28.7	Very low	35.1	Very low	134 Å²	134	143.3 Å²	143.3	82%	0.822	81%	0.81	S	S	*	*			trans	-98.4	127.5	180	50.4	0	0	0	0	112.1
256	V	36.6	Very low	35.2	Very low	142 Å²	142	139.9 Å²	139.9	86%	0.861	80%	0.799	S	S	*	*			trans	-146.6	147.4	144.4	-155.6	0	0	0	0	108.9
257	S	28.5	Very low	35.5	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	79%	0.792	S	S	*	*			trans	-75.8	160.2	164.7	54	0	0	0	0	111.4
258	N	36.6	Very low	35.3	Very low	138 Å²	138	138.8 Å²	138.8	74%	0.738	79%	0.789	S	S	*	*				178.1	140.5	116	-84.4	-10.4	0	0	0	114.3
259	T	31.4	Very low	35.2	Very low	120 Å²	120	137.3 Å²	137.3	74%	0.736	79%	0.786	S	S	*	*			trans	7.4	133.8	153.2	56.5	0	0	0	0	122.2
260	S	30.9	Very low	35.3	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.789	S	S	*	*			trans	57.8	124.2	137.5	63.2	0	0	0	0	121.2
261	N	36.4	Very low	35	Very low	172 Å²	172	141.5 Å²	141.5	92%	0.92	79%	0.788	S	S	*	*				-157.2	169.3	119.2	-101.7	-35.9	0	0	0	112
262	E	32.5	Very low	35.2	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	79%	0.785	S	S	*	*			trans	-114.6	-175	-154.4	-155.2	-178.3	161.6	0	0	113.8
263	S	38.1	Very low	34.6	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	79%	0.789	S	S	*	*			trans	83.3	143.2	173.3	83	0	0	0	0	116.4
264	K	37.9	Very low	34.6	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.865	80%	0.795	S	S	*	*			cis	-151.5	153.8	-0.3	-119.8	151	-165.5	170.2	0	110.5
265	L	33.8	Very low	34.3	Very low	151 Å²	151	139 Å²	139	79%	0.791	79%	0.789	S	S	*	*			trans	-89.6	169.4	169.5	-92.7	164.3	0	0	0	111.4
266	P	42.7	Very low	34.7	Very low	102 Å²	102	138.5 Å²	138.5	66%	0.662	79%	0.791	S	S	*	*				-135.6	148.6	93.9	19.4	1.7	0	0	0	115.2
267	D	38	Very low	34.5	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	79%	0.791	S	S	*	*				35.8	143.6	115.8	-36.3	-39.8	0	0	0	119.3
268	D	37.8	Very low	34.7	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	79%	0.793	S	S	*	*			cis	-158.8	-168	23.3	-153.6	-20.3	0	0	0	112
269	I	37.9	Very low	34.7	Very low	165 Å²	165	144 Å²	144	85%	0.846	80%	0.797	S	S	*	*			trans	98.1	120.1	170.4	-54.5	176.4	0	0	0	115.9
270	K	32.4	Very low	34.6	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	81%	0.805	S	S	*	*			trans	-131.9	123.3	-160.4	171.7	-170.1	-172.1	175.9	0	110.5
271	V	33.2	Very low	34.6	Very low	142 Å²	142	149.7 Å²	149.7	86%	0.861	81%	0.814	S	S	*	*			trans	-140.3	131.4	158.8	-177	0	0	0	0	109.3
272	S	35.1	Very low	34.3	Very low	105 Å²	105	150.9 Å²	150.9	73%	0.734	81%	0.811	S	S	*	*			trans	-86.3	148.8	-177.5	47.7	0	0	0	0	113.1
273	C	26.5	Very low	34.7	Very low	123 Å²	123	151.3 Å²	151.3	83%	0.831	81%	0.813	S	S	*	*			trans	-86	148.2	161	55.2	0	0	0	0	110
274	N	33.4	Very low	34.6	Very low	164 Å²	164	154.4 Å²	154.4	88%	0.877	82%	0.822	S	S	*	*			trans	-149.6	142.2	168.2	-128.2	-26.6	0	0	0	111
275	S	31.6	Very low	34.5	Very low	113 Å²	113	149.4 Å²	149.4	79%	0.79	82%	0.818	S	S	*	*			trans	-92.2	143	-166.2	79.6	0	0	0	0	113.6
276	S	38	Very low	34.8	Very low	123 Å²	123	148.4 Å²	148.4	86%	0.86	82%	0.821	S	S	*	*			trans	-160.6	162.5	151.5	54.8	0	0	0	0	112
277	K	32.1	Very low	34.5	Very low	200 Å²	200	153.5 Å²	153.5	87%	0.87	83%	0.827	S	S	*	*			trans	-94.9	138.9	-166.9	-60.9	153.1	-178.4	166.5	0	110.9
278	S	32	Very low	34.5	Very low	96 Å²	96	155.8 Å²	155.8	67%	0.671	83%	0.83	S	S	*	*				157.1	156.9	104	67.2	0	0	0	0	117.2
279	K	36.6	Very low	34.7	Very low	189 Å²	189	155.6 Å²	155.6	82%	0.822	83%	0.828	S	S	*	*			trans	58.9	113.6	146	-69.6	156.9	-172.4	169.7	0	120.8
280	K	30.3	Very low	34.8	Very low	208 Å²	208	153.9 Å²	153.9	90%	0.904	82%	0.816	S	S	*	*			trans	21.7	115.8	138.4	-67.4	-179.4	175.9	179.2	0	118.1
281	C	30.3	Very low	35.3	Very low	131 Å²	131	151.9 Å²	151.9	89%	0.885	81%	0.814	S	S	*	*				-162.1	166	112.7	-123.2	0	0	0	0	112.3
282	K	31.3	Very low	35.7	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	81%	0.806	S	S	*	*			trans	-89.7	130.5	173.1	-63.3	179.2	-179.8	-178	0	109.7
283	Q	40.6	Very low	35.8	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	80%	0.799	S	S	*	*			trans	-162.6	162.2	157.1	-113.7	154	76.4	0	0	111.1
284	N	35.3	Very low	36.2	Very low	164 Å²	164	154.7 Å²	154.7	88%	0.877	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.5	140.3	-165	-57.8	-32.6	0	0	0	112.6
285	A	36.7	Very low	36.2	Very low	95 Å²	95	155.7 Å²	155.7	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.6	142.5	166.4	0	0	0	0	0	111
286	P	40	Very low	36.3	Very low	129 Å²	129	157.3 Å²	157.3	84%	0.838	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.8	151.7	-173.6	32.7	-35.8	0	0	0	113.2
287	R	35.5	Very low	36	Very low	210 Å²	210	158.5 Å²	158.5	79%	0.792	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-88	123.7	169.4	-58.5	-180	-174.1	-167.1	-0.9	109.3
288	K	39	Very low	36.3	Very low	187 Å²	187	156 Å²	156	81%	0.813	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-73.8	148.3	162.2	-83	-167.7	168.9	-164.4	0	110.1
289	I	41.9	Very low	36.3	Very low	143 Å²	143	158.6 Å²	158.6	73%	0.733	77%	0.771	S	S	*	*			trans	-128.8	114.7	173.8	-59.2	174.8	0	0	0	107.4
290	E	40.2	Very low	36.2	Very low	128 Å²	128	156.4 Å²	156.4	60%	0.598	77%	0.768	S	S	*	*			trans	-128.8	143.6	171	-72.9	172.6	-158.6	0	0	108.8	G292	E290-G292 PolarHBondContact O-N 2.98Å; E290-G292 VanDerWaalsContact O-N 3.08Å
291	N	42.1	Very low	36.3	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.4	25	173.4	-58.7	-33.5	0	0	0	117.1	K293	N291-K293 PolarHBondContact O-N 3.24Å
292	G	42.4	Very low	36.2	Very low	67 Å²	67	152.1 Å²	152.1	69%	0.691	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.6	2	167.2	0	0	0	0	0	116.6	E290	E290-G292 PolarHBondContact O-N 2.98Å; E290-G292 VanDerWaalsContact O-N 3.08Å
293	K	36.2	Very low	36.4	Very low	136 Å²	136	150.6 Å²	150.6	59%	0.591	76%	0.755	S	S	*	*			trans	-99.5	125.5	-178.7	-72.4	173.6	-176.2	170.3	0	110.2	N291 Y295	N291-K293 PolarHBondContact O-N 3.24Å; K293-Y295 HydrophobicContact CB-CD2 3.89Å; K293-Y295 HydrophobicContact CB-CE2 3.44Å; K293-Y295 VanDerWaalsContact CB-CE2 3.44Å; K293-Y295 HydrophobicContact CD-CE2 3.98Å; K293-Y295 WeakPolarHBondContact CD-OH 3.27Å; K293-Y295 HydrophobicContact CG-CE2 4.36Å; K293-Y295 WeakPolarHBondContact O-CD2 3.37Å; K293-Y295 PolarHBondContact O-N 2.96Å
294	W	34.8	Very low	36.3	Very low	227 Å²	227	148.4 Å²	148.4	86%	0.86	75%	0.745	S	S	*	*			trans	-76.1	89.9	174.2	-75.5	62.3	0	0	0	110.1	H296	W294-H296 PolarHBondContact O-N 2.88Å
295	Y	32.6	Very low	36.3	Very low	184 Å²	184	149.1 Å²	149.1	72%	0.722	74%	0.743	S	S	*	*			trans	-81	110.3	169	-71.4	-81.8	0	0	0	109.6	K293 E297	K293-Y295 HydrophobicContact CB-CD2 3.89Å; K293-Y295 HydrophobicContact CB-CE2 3.44Å; K293-Y295 VanDerWaalsContact CB-CE2 3.44Å; K293-Y295 HydrophobicContact CD-CE2 3.98Å; K293-Y295 WeakPolarHBondContact CD-OH 3.27Å; K293-Y295 HydrophobicContact CG-CE2 4.36Å; K293-Y295 WeakPolarHBondContact O-CD2 3.37Å; K293-Y295 PolarHBondContact O-N 2.96Å; Y295-E297 PolarHBondContact O-N 3.45Å; Y295-E297 VanDerWaalsContact O-N 3.17Å
296	H	35.6	Very low	36.3	Very low	148 Å²	148	153.8 Å²	153.8	69%	0.685	74%	0.742	S	S	*	*			trans	-83.6	84.8	172.4	-164.3	-56.1	0	0	0	109.2	W294 F298	W294-H296 PolarHBondContact O-N 2.88Å; H296-F298 AromaticContact CE1-CD2 3.81Å; H296-F298 AromaticContact CE1-CE2 3.74Å; H296-F298 AromaticContact ND1-CD2 3.37Å; H296-F298 WeakPolarHBondContact ND1-CD2 3.46Å; H296-F298 AromaticContact ND1-CE2 3.71Å; H296-F298 PolarHBondContact O-N 2.88Å
297	E	31.8	Very low	36.1	Very low	148 Å²	148	156.1 Å²	156.1	69%	0.692	74%	0.739	S	S	*	*			trans	-61.3	107.7	174.5	-166.2	-176.2	141.1	0	0	109.3	Y295 Q299	Y295-E297 PolarHBondContact O-N 3.45Å; Y295-E297 VanDerWaalsContact O-N 3.17Å; E297-Q299 HydrophobicContact CG-CG 4.4Å; E297-Q299 PolarHBondContact O-N 2.96Å; E297-Q299 PolarHBondContact OE1-NE2 2.92Å
298	F	36.4	Very low	35.9	Very low	148 Å²	148	151.9 Å²	151.9	65%	0.649	74%	0.737	S	S	*	*			trans	-87.7	62.8	-167.9	-131.3	-73.6	0	0	0	111.1	H296 L300	H296-F298 AromaticContact CE1-CD2 3.81Å; H296-F298 AromaticContact CE1-CE2 3.74Å; H296-F298 AromaticContact ND1-CD2 3.37Å; H296-F298 WeakPolarHBondContact ND1-CD2 3.46Å; H296-F298 AromaticContact ND1-CE2 3.71Å; H296-F298 PolarHBondContact O-N 2.88Å; F298-L300 HydrophobicContact CD1-CD2 3.64Å; F298-L300 HydrophobicContact CD1-CG 4.06Å; F298-L300 HydrophobicContact CE1-CD2 3.77Å; F298-L300 PolarHBondContact O-N 3.05Å
299	Q	33.4	Very low	35.7	Very low	149 Å²	149	148 Å²	148	70%	0.696	73%	0.733	S	S	*	*			trans	-63.1	104.4	166.3	-65.4	-172.9	5.8	0	0	108	E297 S301	E297-Q299 HydrophobicContact CG-CG 4.4Å; E297-Q299 PolarHBondContact O-N 2.96Å; E297-Q299 PolarHBondContact OE1-NE2 2.92Å; Q299-S301 PolarHBondContact O-N 3.28Å
300	L	33.8	Very low	35.2	Very low	144 Å²	144	148.5 Å²	148.5	75%	0.754	74%	0.737	S	S	*	*			trans	-75.2	66.5	-176	-76.9	166.6	0	0	0	111.5	F298	F298-L300 HydrophobicContact CD1-CD2 3.64Å; F298-L300 HydrophobicContact CD1-CG 4.06Å; F298-L300 HydrophobicContact CE1-CD2 3.77Å; F298-L300 PolarHBondContact O-N 3.05Å
301	S	32	Very low	35.1	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	75%	0.75	S	S	*	*			trans	-64.9	128.6	161.8	55.2	0	0	0	0	109.5	Q299 D303	Q299-S301 PolarHBondContact O-N 3.28Å; S301-D303 PolarHBondContact O-N 3.06Å
302	N	29.7	Very low	34.7	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	74%	0.744	S	S	*	*	S	Bend	trans	-68.1	108.2	-176.9	-62.2	-74.7	0	0	0	112.2
303	D	34.5	Very low	34.2	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	75%	0.753	S	S	*	*			trans	-162.6	174.6	153	-104.3	-34.9	0	0	0	112.2	S301 E305	S301-D303 PolarHBondContact O-N 3.06Å; D303-E305 PolarHBondContact O-N 2.97Å
304	E	38.8	Very low	34.7	Very low	145 Å²	145	151.3 Å²	151.3	68%	0.678	76%	0.757	S	S	*	*			trans	-74.7	106.7	-171	-74.1	-156.5	149.9	0	0	114.9	K395	E304-K395 WeakPolarHBondContact OE1-CE 3.35Å; E304-K395 IonicContact OE1-NZ 2.75Å; E304-K395 PolarHBondContact OE1-NZ 3.08Å; E304-K395 IonicContact OE2-NZ 3.75Å; E304-K395 PolarHBondContact OE2-NZ 3.44Å
305	E	35.4	Very low	34.9	Very low	179 Å²	179	149.7 Å²	149.7	84%	0.836	76%	0.76	S	S	*	*			trans	-128.6	110.4	147.4	-75.7	-159.4	-176.6	0	0	112.2	D303	D303-E305 PolarHBondContact O-N 2.97Å
306	Y	36.5	Very low	35.6	Very low	192 Å²	192	145.4 Å²	145.4	75%	0.753	75%	0.752	S	S	*	*			trans	-129	102.9	159.6	-164.1	-73.4	0	0	0	108.3	T308	Y306-T308 PolarHBondContact O-N 3.43Å
307	F	34.9	Very low	36.2	Very low	178 Å²	178	143.4 Å²	143.4	78%	0.781	75%	0.746	S	S	*	*			trans	-47.4	123.4	-170.8	-135	-97.5	0	0	0	112.9	S309	F307-S309 PolarHBondContact O-N 3.43Å; F307-S309 VanDerWaalsContact O-N 3.13Å
308	T	32.3	Very low	37.4	Very low	122 Å²	122	140.5 Å²	140.5	75%	0.748	74%	0.736	S	S	*	*			trans	-80	88.1	174	44	0	0	0	0	109.5	Y306 D310	Y306-T308 PolarHBondContact O-N 3.43Å; T308-D310 PolarHBondContact O-N 2.85Å
309	S	34.3	Very low	38.3	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	73%	0.733	S	S	*	*			trans	-76.5	55.8	178.4	65.9	0	0	0	0	112.6	F307	F307-S309 PolarHBondContact O-N 3.43Å; F307-S309 VanDerWaalsContact O-N 3.13Å
310	D	32.2	Very low	39.5	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	73%	0.725	S	S	*	*			trans	-135.8	30.5	-179.3	-78.1	-53.2	0	0	0	112	T308	T308-D310 PolarHBondContact O-N 2.85Å
311	E	36.7	Very low	41.6	Very low	183 Å²	183	132 Å²	132	86%	0.855	71%	0.711	S	S	*	*	S	Bend	trans	-160.3	156.8	158.9	-126.5	175.3	-157.3	0	0	114.6
312	S	34.2	Very low	44	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	71%	0.707	S	S	*	*			trans	60	114	176.3	74.3	0	0	0	0	118	I314	S312-I314 PolarHBondContact O-N 2.6Å
313	S	32.2	Very low	46.6	Very low	125 Å²	125	131.8 Å²	131.8	87%	0.874	69%	0.693	S	S	*	*			trans	-81	95.6	173.5	53.7	0	0	0	0	111.7
314	I	46.5	Very low	49.1	Very low	134 Å²	134	128.2 Å²	128.2	69%	0.687	67%	0.674	S	S	*	*			trans	-99	124	168.4	-56.4	177.8	0	0	0	108.5	S312 V316	S312-I314 PolarHBondContact O-N 2.6Å; I314-V316 VanDerWaalsContact C-N 3.27Å; I314-V316 HydrophobicContact CB-CG2 4.39Å; I314-V316 HydrophobicContact CG2-CG2 3.83Å; I314-V316 PolarHBondContact O-N 3.1Å
315	E	39.2	Very low	51.3	Low	194 Å²	194	126.2 Å²	126.2	91%	0.907	66%	0.664	S	S	*	*			trans	-78	72	-179.3	-62.8	-163.1	136.6	0	0	112
316	V	47.9	Very low	53.8	Low	94 Å²	94	126.7 Å²	126.7	57%	0.57	66%	0.658	S	S	*	*			trans	-78.7	143.9	172.4	-172.6	0	0	0	0	110.4	I314 N318	I314-V316 VanDerWaalsContact C-N 3.27Å; I314-V316 HydrophobicContact CB-CG2 4.39Å; I314-V316 HydrophobicContact CG2-CG2 3.83Å; I314-V316 PolarHBondContact O-N 3.1Å; V316-N318 PolarHBondContact O-N 3.49Å
317	D	46.7	Very low	56.4	Low	105 Å²	105	122.9 Å²	122.9	56%	0.561	65%	0.648	S	S	*	*			trans	-50.8	120.2	-171.3	-94.6	-50.5	0	0	0	114.5	S319 Q320 S321	D317-S319 PolarHBondContact O-N 3.11Å; D317-Q320 HydrophobicContact CB-CG 4.41Å; D317-Q320 PolarHBondContact O-N 2.85Å; D317-Q320 VanDerWaalsContact O-N 3.17Å; D317-S321 PolarHBondContact O-N 3.08Å
318	N	57.3	Low	59	Low	88 Å²	88	120.2 Å²	120.2	47%	0.471	64%	0.637	S	S	.	*	H	α-helix	trans	-64.7	-16.8	-173.4	-81.6	-99.3	0	0	0	113.3	V316 R322	V316-N318 PolarHBondContact O-N 3.49Å; N318-R322 WeakPolarHBondContact O-CD 3.2Å; N318-R322 VanDerWaalsContact O-CG 3.23Å; N318-R322 WeakPolarHBondContact O-CG 3.34Å
319	S	55.7	Low	61.7	Low	83 Å²	83	121.6 Å²	121.6	58%	0.58	63%	0.629	S	S	*	*	H	α-helix	trans	-75.6	-52.1	173.7	52.4	0	0	0	0	111.6	D317 R322 S323	D317-S319 PolarHBondContact O-N 3.11Å; S319-R322 PolarHBondContact O-N 3.02Å; S319-R322 VanDerWaalsContact O-N 3.16Å; S319-S323 PolarHBondContact O-N 2.93Å
320	Q	59.8	Low	64.4	Low	114 Å²	114	125.9 Å²	125.9	53%	0.533	63%	0.629	S	S	.	*	H	α-helix	trans	-64.9	-41.1	178.1	-61.2	-173.6	4.9	0	0	111.4	D317 R322 S323 L324	D317-Q320 HydrophobicContact CB-CG 4.41Å; D317-Q320 PolarHBondContact O-N 2.85Å; D317-Q320 VanDerWaalsContact O-N 3.17Å; Q320-R322 PolarHBondContact O-N 3.06Å; Q320-S323 PolarHBondContact O-N 2.7Å; Q320-S323 PolarHBondContact O-OG 2.78Å; Q320-L324 WeakPolarHBondContact O-CB 3.47Å; Q320-L324 WeakPolarHBondContact O-CG 3.14Å; Q320-L324 PolarHBondContact O-N 3.12Å
321	S	77.2	Confident	67.3	Low	65 Å²	65	122.9 Å²	122.9	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-54.2	-39.2	172.5	-179.2	0	0	0	0	112.4	D317 Q325	D317-S321 PolarHBondContact O-N 3.08Å; S321-Q325 VanDerWaalsContact O-CB 3.29Å; S321-Q325 WeakPolarHBondContact O-CB 3.32Å; S321-Q325 PolarHBondContact O-N 2.84Å
322	R	81.4	Confident	69.8	Low	176 Å²	176	116.7 Å²	116.7	66%	0.664	59%	0.59	S	S	*	*	H	α-helix	trans	-74.7	-34.3	178.7	-76	172.4	177.1	-169	-0	114	N318 S319 Q320 R326	N318-R322 WeakPolarHBondContact O-CD 3.2Å; N318-R322 VanDerWaalsContact O-CG 3.23Å; N318-R322 WeakPolarHBondContact O-CG 3.34Å; S319-R322 PolarHBondContact O-N 3.02Å; S319-R322 VanDerWaalsContact O-N 3.16Å; Q320-R322 PolarHBondContact O-N 3.06Å; R322-R326 WeakPolarHBondContact O-CG 3.47Å; R322-R326 PolarHBondContact O-N 3.23Å
323	S	84.2	Confident	72.5	Confident	69 Å²	69	117.1 Å²	117.1	48%	0.483	58%	0.584	S	S	.	*	H	α-helix	trans	-71.3	-45.7	174.7	52.9	0	0	0	0	110.9	S319 Q320 Q325 R326 Q327	S319-S323 PolarHBondContact O-N 2.93Å; Q320-S323 PolarHBondContact O-N 2.7Å; Q320-S323 PolarHBondContact O-OG 2.78Å; S323-Q325 PolarHBondContact O-N 3.12Å; S323-R326 WeakPolarHBondContact O-CB 3.31Å; S323-R326 PolarHBondContact O-N 3.34Å; S323-R326 VanDerWaalsContact O-N 3.08Å; S323-Q327 PolarHBondContact O-N 3.36Å
324	L	87.6	Confident	75.4	Confident	89 Å²	89	115.8 Å²	115.8	47%	0.466	56%	0.564	S	S	.	*	H	α-helix	trans	-58	-45.7	173.7	-68.1	170.7	0	0	0	111.5	Q320 R326 Q327 H328	Q320-L324 WeakPolarHBondContact O-CB 3.47Å; Q320-L324 WeakPolarHBondContact O-CG 3.14Å; Q320-L324 PolarHBondContact O-N 3.12Å; L324-R326 VanDerWaalsContact C-N 3.27Å; L324-R326 PolarHBondContact O-N 3.49Å; L324-Q327 WeakPolarHBondContact O-CB 3.48Å; L324-Q327 PolarHBondContact O-N 3.21Å; L324-Q327 VanDerWaalsContact O-N 3.08Å; L324-H328 PolarHBondContact O-CD2 2.97Å; L324-H328 VanDerWaalsContact O-CD2 3.26Å; L324-H328 PolarHBondContact O-N 2.77Å
325	Q	84.5	Confident	77.6	Confident	102 Å²	102	114 Å²	114	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-33.6	176.5	-165.2	-171	82.9	0	0	112.6	S321 S323 R329	S321-Q325 VanDerWaalsContact O-CB 3.29Å; S321-Q325 WeakPolarHBondContact O-CB 3.32Å; S321-Q325 PolarHBondContact O-N 2.84Å; S323-Q325 PolarHBondContact O-N 3.12Å; Q325-R329 VanDerWaalsContact O-CG 3.27Å; Q325-R329 WeakPolarHBondContact O-CG 3.4Å; Q325-R329 PolarHBondContact O-N 2.67Å; Q325-R329 VanDerWaalsContact O-N 3.13Å
326	R	88.8	Confident	80.2	Confident	189 Å²	189	108.7 Å²	108.7	71%	0.713	53%	0.526	S	S	*	.	H	α-helix	trans	-68.8	-39.8	173.2	-73.6	172.7	177.1	-144.5	-0	111.8	R322 S323 L324 R329 R330	R322-R326 WeakPolarHBondContact O-CG 3.47Å; R322-R326 PolarHBondContact O-N 3.23Å; S323-R326 WeakPolarHBondContact O-CB 3.31Å; S323-R326 PolarHBondContact O-N 3.34Å; S323-R326 VanDerWaalsContact O-N 3.08Å; L324-R326 VanDerWaalsContact C-N 3.27Å; L324-R326 PolarHBondContact O-N 3.49Å; R326-R329 PolarHBondContact O-N 3.31Å; R326-R330 WeakPolarHBondContact O-CG 3.41Å; R326-R330 PolarHBondContact O-N 3.28Å
327	Q	90.8	Very high	82.3	Confident	113 Å²	113	106 Å²	106	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-48.3	176.2	-174.6	172.3	-9.4	0	0	111.7	S323 L324 R329 R330 L331	S323-Q327 PolarHBondContact O-N 3.36Å; L324-Q327 WeakPolarHBondContact O-CB 3.48Å; L324-Q327 PolarHBondContact O-N 3.21Å; L324-Q327 VanDerWaalsContact O-N 3.08Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.87Å; Q327-R330 WeakPolarHBondContact O-CB 3.46Å; Q327-R330 PolarHBondContact O-N 2.79Å; Q327-R330 VanDerWaalsContact O-N 3.08Å; Q327-L331 HydrophobicContact CG-CD1 4.09Å; Q327-L331 WeakPolarHBondContact O-CG 3.39Å; Q327-L331 PolarHBondContact O-N 2.83Å
328	H	89.9	Confident	84.6	Confident	122 Å²	122	103.1 Å²	103.1	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-57.4	-39.1	173.8	-78.6	-72.4	0	0	0	112.6	L324 S332	L324-H328 PolarHBondContact O-CD2 2.97Å; L324-H328 VanDerWaalsContact O-CD2 3.26Å; L324-H328 PolarHBondContact O-N 2.77Å; H328-S332 WeakPolarHBondContact O-CB 3.5Å; H328-S332 PolarHBondContact O-N 3.35Å; H328-S332 PolarHBondContact O-OG 2.96Å
329	R	89.6	Confident	86.4	Confident	151 Å²	151	99.5 Å²	99.5	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-40.4	174.4	-73.4	175.8	-165.4	-136.6	9.4	112.6	Q325 R326 Q327 N333	Q325-R329 VanDerWaalsContact O-CG 3.27Å; Q325-R329 WeakPolarHBondContact O-CG 3.4Å; Q325-R329 PolarHBondContact O-N 2.67Å; Q325-R329 VanDerWaalsContact O-N 3.13Å; R326-R329 PolarHBondContact O-N 3.31Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.87Å; R329-N333 WeakPolarHBondContact O-CB 3.42Å; R329-N333 PolarHBondContact O-N 3.4Å; R329-N333 PolarHBondContact O-OD1 2.85Å
330	R	90.7	Very high	88.3	Confident	194 Å²	194	95.6 Å²	95.6	73%	0.732	45%	0.446	S	S	*	.	H	α-helix	trans	-59.9	-56.1	174.3	-74.8	174.4	171.6	179.2	-5.4	110.8	R326 Q327 S332 N333 E334	R326-R330 WeakPolarHBondContact O-CG 3.41Å; R326-R330 PolarHBondContact O-N 3.28Å; Q327-R330 WeakPolarHBondContact O-CB 3.46Å; Q327-R330 PolarHBondContact O-N 2.79Å; Q327-R330 VanDerWaalsContact O-N 3.08Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 3.3Å; R330-N333 PolarHBondContact O-N 3.23Å; R330-E334 WeakPolarHBondContact O-CB 3.4Å; R330-E334 PolarHBondContact O-N 3.26Å
331	L	92	Very high	89.9	Confident	91 Å²	91	91.1 Å²	91.1	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-59.6	-37.6	179.7	-65.3	171	0	0	0	112.5	Q327 R335	Q327-L331 HydrophobicContact CG-CD1 4.09Å; Q327-L331 WeakPolarHBondContact O-CG 3.39Å; Q327-L331 PolarHBondContact O-N 2.83Å; L331-R335 VanDerWaalsContact O-CB 3.24Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 PolarHBondContact O-N 2.79Å
332	S	90	Very high	90.7	Very high	54 Å²	54	88 Å²	88	38%	0.378	40%	0.404	S	S	.	.	H	α-helix	trans	-67.2	-45	176	-61.1	0	0	0	0	112.1	H328 R330 E334 R335 L336	H328-S332 WeakPolarHBondContact O-CB 3.5Å; H328-S332 PolarHBondContact O-N 3.35Å; H328-S332 PolarHBondContact O-OG 2.96Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 3.3Å; S332-E334 VanDerWaalsContact C-N 3.34Å; S332-R335 PolarHBondContact O-N 2.83Å; S332-L336 WeakPolarHBondContact O-CB 3.28Å; S332-L336 VanDerWaalsContact O-CG 3.23Å; S332-L336 WeakPolarHBondContact O-CG 3.43Å; S332-L336 PolarHBondContact O-N 3.1Å
333	N	90.9	Very high	91.2	Very high	107 Å²	107	79.8 Å²	79.8	57%	0.572	37%	0.373	S	S	*	.	H	α-helix	trans	-66.1	-39.1	177.4	-71.2	-0.6	0	0	0	111.5	R329 R330 L336 S337	R329-N333 WeakPolarHBondContact O-CB 3.42Å; R329-N333 PolarHBondContact O-N 3.4Å; R329-N333 PolarHBondContact O-OD1 2.85Å; R330-N333 PolarHBondContact O-N 3.23Å; N333-L336 PolarHBondContact O-N 3.28Å; N333-S337 WeakPolarHBondContact O-CB 3.07Å; N333-S337 PolarHBondContact O-N 3.32Å; N333-S337 PolarHBondContact O-OG 3.14Å
334	E	92.1	Very high	91.5	Very high	98 Å²	98	77 Å²	77	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-50.9	174.7	-179	175.4	-169.1	0	0	111.3	R330 S332 L336 S337 R338	R330-E334 WeakPolarHBondContact O-CB 3.4Å; R330-E334 PolarHBondContact O-N 3.26Å; S332-E334 VanDerWaalsContact C-N 3.34Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 3.41Å; E334-S337 WeakPolarHBondContact O-CA 3.43Å; E334-S337 PolarHBondContact O-N 2.92Å; E334-S337 PolarHBondContact O-OG 3.01Å; E334-R338 PolarHBondContact O-N 3.3Å
335	R	93.8	Very high	91.8	Very high	95 Å²	95	73 Å²	73	36%	0.358	33%	0.332	S	S	.	.	H	α-helix	trans	-55.8	-45.6	173.9	-173.2	179.4	-175.5	74.6	7.6	111.8	L331 S332 S337 R338 T339 E375 S376 V415	L331-R335 VanDerWaalsContact O-CB 3.24Å; L331-R335 WeakPolarHBondContact O-CB 3.44Å; L331-R335 PolarHBondContact O-N 2.79Å; S332-R335 PolarHBondContact O-N 2.83Å; R335-S337 VanDerWaalsContact C-N 3.3Å; R335-S337 PolarHBondContact O-N 3.41Å; R335-R338 CarbonylContact O-C 3.4Å; R335-R338 VanDerWaalsContact O-CG 3.32Å; R335-R338 WeakPolarHBondContact O-CG 3.45Å; R335-R338 PolarHBondContact O-N 2.95Å; R335-R338 VanDerWaalsContact O-N 3.1Å; R335-T339 PolarHBondContact O-N 2.75Å; R335-T339 VanDerWaalsContact O-N 3.12Å; R335-T339 PolarHBondContact O-OG1 2.98Å; R335-E375 IonicContact CZ-OE1 2.65Å; R335-E375 IonicContact CZ-OE2 2.7Å; R335-E375 IonicContact NH1-OE1 2.75Å; R335-E375 PolarHBondContact NH1-OE1 3.41Å; R335-E375 IonicContact NH1-OE2 3.47Å; R335-E375 PolarHBondContact NH1-OE2 3.27Å; R335-E375 IonicContact NH2-OE1 3.59Å; R335-E375 IonicContact NH2-OE2 3.7Å; R335-E375 PolarHBondContact NH2-OE2 3.46Å; R335-S376 PolarHBondContact NH2-OG 3.33Å; R335-V415 HydrophobicContact CG-CG1 4.07Å
336	L	92.4	Very high	92	Very high	84 Å²	84	68.1 Å²	68.1	44%	0.44	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-38.5	175.2	-74.9	167.1	0	0	0	112.1	S332 N333 E334 R338 T339	S332-L336 WeakPolarHBondContact O-CB 3.28Å; S332-L336 VanDerWaalsContact O-CG 3.23Å; S332-L336 WeakPolarHBondContact O-CG 3.43Å; S332-L336 PolarHBondContact O-N 3.1Å; N333-L336 PolarHBondContact O-N 3.28Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 3.41Å; L336-R338 PolarHBondContact O-N 2.79Å; L336-T339 WeakPolarHBondContact O-CB 3.38Å; L336-T339 PolarHBondContact O-N 3.25Å
337	S	92.6	Very high	91.9	Very high	38 Å²	38	62 Å²	62	27%	0.266	29%	0.29	S	S	.	.	H	α-helix	trans	-72.2	-7.4	176.3	74.3	0	0	0	0	115	N333 E334 R335 K419 I422	N333-S337 WeakPolarHBondContact O-CB 3.07Å; N333-S337 PolarHBondContact O-N 3.32Å; N333-S337 PolarHBondContact O-OG 3.14Å; E334-S337 WeakPolarHBondContact O-CA 3.43Å; E334-S337 PolarHBondContact O-N 2.92Å; E334-S337 PolarHBondContact O-OG 3.01Å; R335-S337 VanDerWaalsContact C-N 3.3Å; R335-S337 PolarHBondContact O-N 3.41Å; S337-K419 WeakPolarHBondContact OG-CE 3.25Å; S337-K419 PolarHBondContact OG-NZ 3.48Å; S337-I422 WeakPolarHBondContact O-CD1 3.4Å
338	R	94.2	Very high	91.6	Very high	43 Å²	43	62.8 Å²	62.8	16%	0.162	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	17.7	166.8	64.6	-172.9	179.6	85.2	-5.1	113.1	E334 R335 L336 E375 V415 L416 T417 K419	E334-R338 PolarHBondContact O-N 3.3Å; R335-R338 CarbonylContact O-C 3.4Å; R335-R338 VanDerWaalsContact O-CG 3.32Å; R335-R338 WeakPolarHBondContact O-CG 3.45Å; R335-R338 PolarHBondContact O-N 2.95Å; R335-R338 VanDerWaalsContact O-N 3.1Å; L336-R338 PolarHBondContact O-N 2.79Å; R338-E375 IonicContact CZ-OE1 3.78Å; R338-E375 VanDerWaalsContact CZ-OE1 3.23Å; R338-E375 IonicContact NH1-OE1 2.7Å; R338-E375 PolarHBondContact NH1-OE1 3.09Å; R338-E375 IonicContact NH1-OE2 3.86Å; R338-E375 IonicContact NH2-OE1 3.04Å; R338-E375 PolarHBondContact NH2-OE1 2.97Å; R338-V415 HydrophobicContact CG-CG1 4.09Å; R338-V415 VanDerWaalsContact NH1-CG1 3.33Å; R338-L416 VanDerWaalsContact CD-O 3.25Å; R338-L416 WeakPolarHBondContact CD-O 3.4Å; R338-L416 WeakPolarHBondContact CG-O 3.44Å; R338-L416 PolarHBondContact NH1-O 3Å; R338-L416 PolarHBondContact O-N 2.63Å; R338-T417 VanDerWaalsContact CD-O 3.31Å; R338-T417 WeakPolarHBondContact CD-O 3.47Å; R338-K419 HydrophobicContact CB-CG 4.23Å
339	T	95.7	Very high	91.5	Very high	12 Å²	12	57.2 Å²	57.2	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.1	175.8	-57.1	0	0	0	0	110.5	R335 L336 Y413 V414 V415 A476	R335-T339 PolarHBondContact O-N 2.75Å; R335-T339 VanDerWaalsContact O-N 3.12Å; R335-T339 PolarHBondContact O-OG1 2.98Å; L336-T339 WeakPolarHBondContact O-CB 3.38Å; L336-T339 PolarHBondContact O-N 3.25Å; T339-Y413 HydrophobicContact CG2-CD1 3.82Å; T339-Y413 HydrophobicContact CG2-CG 4.15Å; T339-V414 CarbonylContact C-O 3.46Å; T339-V414 WeakPolarHBondContact CA-O 3.48Å; T339-V415 HydrophobicContact CG2-CG2 4.14Å; T339-A476 HydrophobicContact CG2-CB 3.66Å; T339-A476 WeakPolarHBondContact O-CB 3.47Å; T339-A476 PolarHBondContact O-N 3.29Å
340	I	95.1	Very high	91.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133	178.6	-63.3	177	0	0	0	107.5	V342 F358 Y413 V414 L416 I422 V425 V473 D474	I340-V342 HydrophobicContact CG2-CG2 4.4Å; I340-F358 HydrophobicContact CG2-CE1 4.45Å; I340-Y413 CarbonylContact O-C 3.52Å; I340-Y413 VanDerWaalsContact O-CA 3.26Å; I340-Y413 WeakPolarHBondContact O-CA 3.47Å; I340-V414 PolarHBondContact N-O 3.1Å; I340-V414 PolarHBondContact O-N 2.95Å; I340-L416 HydrophobicContact CD1-CD1 3.73Å; I340-L416 HydrophobicContact CD1-CG 4.2Å; I340-I422 HydrophobicContact CD1-CG1 4.37Å; I340-I422 HydrophobicContact CD1-CG2 4.41Å; I340-V425 HydrophobicContact CD1-CB 3.83Å; I340-V425 HydrophobicContact CD1-CG1 3.46Å; I340-V425 VanDerWaalsContact CD1-CG1 3.46Å; I340-V425 HydrophobicContact CG2-CG1 4.37Å; I340-V473 HydrophobicContact CG2-CG1 3.49Å; I340-V473 VanDerWaalsContact CG2-CG1 3.49Å; I340-D474 CarbonylContact C-O 3.48Å; I340-D474 WeakPolarHBondContact CA-O 3.48Å; I340-D474 WeakPolarHBondContact CG2-O 3.38Å
341	F	94.2	Very high	91.6	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.6	169	168.5	-91.5	0	0	0	109.5	M411 Y413 V473 D474	F341-M411 HydrophobicContact CE2-CB 4Å; F341-M411 HydrophobicContact CE2-CG 4.45Å; F341-M411 HydrophobicContact CE2-SD 4.11Å; F341-M411 HydrophobicContact CZ-CB 4.09Å; F341-Y413 HydrophobicContact CB-CD1 4.08Å; F341-Y413 HydrophobicContact CB-CE1 3.83Å; F341-Y413 HydrophobicContact CD2-CD1 4.41Å; F341-Y413 AromaticContact CD2-CE1 3.86Å; F341-Y413 HydrophobicContact CD2-CE1 3.86Å; F341-Y413 HydrophobicContact CG-CE1 4.34Å; F341-V473 WeakPolarHBondContact O-CA 3.37Å; F341-D474 HydrophobicContact CB-CB 4.24Å; F341-D474 HydrophobicContact CD1-CB 4.17Å; F341-D474 PolarHBondContact N-O 3.17Å; F341-D474 PolarHBondContact O-N 3.22Å
342	V	93.8	Very high	91.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.6	175.7	-166.6	0	0	0	0	108.4	I340 L345 F358 M411 G412 V414 I471 R472	I340-V342 HydrophobicContact CG2-CG2 4.4Å; V342-L345 HydrophobicContact CB-CD1 4.14Å; V342-L345 HydrophobicContact CG1-CD1 3.79Å; V342-L345 HydrophobicContact CG1-CD2 3.78Å; V342-L345 HydrophobicContact CG1-CG 3.92Å; V342-F358 HydrophobicContact CG1-CZ 4.36Å; V342-F358 HydrophobicContact CG2-CE1 4.12Å; V342-F358 HydrophobicContact CG2-CE2 4.39Å; V342-F358 HydrophobicContact CG2-CZ 3.52Å; V342-M411 CarbonylContact O-C 3.51Å; V342-M411 VanDerWaalsContact O-CA 3.26Å; V342-M411 WeakPolarHBondContact O-CA 3.23Å; V342-G412 PolarHBondContact N-O 3.14Å; V342-G412 PolarHBondContact O-N 3.46Å; V342-V414 HydrophobicContact CG2-CB 4.37Å; V342-V414 HydrophobicContact CG2-CG2 3.61Å; V342-I471 HydrophobicContact CG1-CG2 3.54Å; V342-R472 CarbonylContact C-O 3.59Å; V342-R472 WeakPolarHBondContact CA-O 3.43Å
343	G	91.9	Very high	91.9	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	164.1	-177.7	0	0	0	0	0	112.6	I471 R472	G343-I471 WeakPolarHBondContact O-CG2 3.29Å; G343-R472 PolarHBondContact N-O 3.07Å; G343-R472 PolarHBondContact O-N 2.91Å; G343-R472 VanDerWaalsContact O-N 3.1Å
344	N	91.6	Very high	92	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.5	50.4	-179.2	-161.3	39.2	0	0	0	113.6	R410 H470 E502	N344-R410 PolarHBondContact N-O 3.02Å; N344-H470 WeakPolarHBondContact CB-O 3.38Å; N344-H470 PolarHBondContact ND2-O 3.12Å; N344-E502 PolarHBondContact ND2-OE1 3.47Å
345	L	92.2	Very high	92.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.7	177.8	-68.9	168.4	0	0	0	111.2	V342 I349 I354 F379 F409 R410 L433 I471	V342-L345 HydrophobicContact CB-CD1 4.14Å; V342-L345 HydrophobicContact CG1-CD1 3.79Å; V342-L345 HydrophobicContact CG1-CD2 3.78Å; V342-L345 HydrophobicContact CG1-CG 3.92Å; L345-I349 HydrophobicContact CB-CG2 4.12Å; L345-I349 HydrophobicContact CD2-CD1 4.23Å; L345-I354 HydrophobicContact CD1-CD1 3.74Å; L345-F379 HydrophobicContact CD1-CE1 4.46Å; L345-F409 CarbonylContact O-C 3.55Å; L345-F409 WeakPolarHBondContact O-CA 3.5Å; L345-R410 HydrophobicContact CB-CB 4.26Å; L345-R410 PolarHBondContact N-O 3.36Å; L345-R410 PolarHBondContact O-N 2.97Å; L345-L433 HydrophobicContact CD2-CD1 4.15Å; L345-I471 HydrophobicContact CD2-CG2 4.28Å
346	P	89.7	Confident	92.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.217	C	C	.	.			trans	-55.9	144.3	172.7	-20.9	27.9	0	0	0	112.5	N348 I349 S435 Y469	P346-N348 PolarHBondContact O-N 3.22Å; P346-I349 HydrophobicContact CB-CB 4.41Å; P346-I349 VanDerWaalsContact O-CG2 3.28Å; P346-I349 WeakPolarHBondContact O-CG2 3.34Å; P346-I349 PolarHBondContact O-N 2.91Å; P346-S435 WeakPolarHBondContact CB-O 3.47Å; P346-Y469 HydrophobicContact CB-CD2 4.21Å; P346-Y469 HydrophobicContact CB-CE2 3.97Å; P346-Y469 HydrophobicContact CG-CD2 3.65Å; P346-Y469 HydrophobicContact CG-CE2 3.93Å; P346-Y469 HydrophobicContact CG-CG 4.14Å
347	L	85.7	Confident	92.2	Very high	60 Å²	60	39 Å²	39	31%	0.314	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27	175.4	-75.2	173.8	0	0	0	113.1	I349 S407 F409 R410	L347-I349 VanDerWaalsContact C-N 3.31Å; L347-I349 PolarHBondContact O-N 2.94Å; L347-S407 WeakPolarHBondContact CD1-O 3.42Å; L347-F409 WeakPolarHBondContact CD2-O 3.2Å; L347-R410 PolarHBondContact O-NH1 3.14Å; L347-R410 PolarHBondContact O-NH2 3.47Å
348	N	84.9	Confident	92.2	Very high	129 Å²	129	37.4 Å²	37.4	69%	0.69	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.5	-179	-64.4	-10.4	0	0	0	112.8	P346 T350	P346-N348 PolarHBondContact O-N 3.22Å; N348-T350 PolarHBondContact O-N 3.33Å
349	I	88.9	Confident	92.2	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	19%	0.189	C	C	.	.			trans	-68.5	130.7	-176.2	-150.7	171	0	0	0	112.1	L345 P346 L347 R353 I354 F379 R410 L433	L345-I349 HydrophobicContact CB-CG2 4.12Å; L345-I349 HydrophobicContact CD2-CD1 4.23Å; P346-I349 HydrophobicContact CB-CB 4.41Å; P346-I349 VanDerWaalsContact O-CG2 3.28Å; P346-I349 WeakPolarHBondContact O-CG2 3.34Å; P346-I349 PolarHBondContact O-N 2.91Å; L347-I349 VanDerWaalsContact C-N 3.31Å; L347-I349 PolarHBondContact O-N 2.94Å; I349-R353 HydrophobicContact CD1-CG 4.25Å; I349-R353 HydrophobicContact CG1-CB 3.96Å; I349-R353 HydrophobicContact CG1-CG 3.86Å; I349-I354 HydrophobicContact CD1-CD1 4.34Å; I349-I354 HydrophobicContact CD1-CG1 3.7Å; I349-I354 HydrophobicContact CG1-CG1 4.1Å; I349-I354 HydrophobicContact CG2-CD1 3.99Å; I349-I354 HydrophobicContact CG2-CG1 4.39Å; I349-F379 HydrophobicContact CG2-CE1 4.15Å; I349-F379 HydrophobicContact CG2-CZ 4.15Å; I349-R410 PolarHBondContact O-NH1 3.07Å; I349-R410 VanDerWaalsContact O-NH1 3.08Å; I349-L433 HydrophobicContact CD1-CD1 4.26Å
350	T	90.6	Very high	92	Very high	80 Å²	80	40.6 Å²	40.6	49%	0.491	21%	0.206	S	C	.	.			trans	-90.8	158.2	178.5	70.1	0	0	0	0	111.8	N348 K352 R353 I354	N348-T350 PolarHBondContact O-N 3.33Å; T350-K352 VanDerWaalsContact C-N 3.29Å; T350-K352 PolarHBondContact O-N 3.28Å; T350-R353 PolarHBondContact O-N 3.46Å; T350-R353 VanDerWaalsContact O-N 3.12Å; T350-R353 WeakPolarHBondContact OG1-CB 3.27Å; T350-R353 PolarHBondContact OG1-N 3.09Å; T350-I354 PolarHBondContact O-N 2.85Å
351	K	91.7	Very high	91.8	Very high	96 Å²	96	41.3 Å²	41.3	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-52.2	-48.7	173.9	-170.9	-176.2	174.7	-83.7	0	111.4	R353 I354 E355 V377 F379	K351-R353 VanDerWaalsContact C-N 3.31Å; K351-R353 PolarHBondContact O-N 3.32Å; K351-I354 PolarHBondContact O-N 2.92Å; K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 IonicContact NZ-OE1 2.69Å; K351-E355 PolarHBondContact NZ-OE1 2.78Å; K351-E355 IonicContact NZ-OE2 3.22Å; K351-E355 WeakPolarHBondContact O-CG 3.21Å; K351-E355 PolarHBondContact O-N 3.13Å; K351-E355 VanDerWaalsContact O-N 3.09Å; K351-V377 WeakPolarHBondContact CE-O 3.44Å; K351-V377 HydrophobicContact CG-CB 3.95Å; K351-F379 HydrophobicContact CB-CE2 4.34Å
352	K	93.5	Very high	91.8	Very high	169 Å²	169	40.5 Å²	40.5	74%	0.735	21%	0.207	S	C	*	.	H	α-helix	trans	-60	-35.7	178.6	-64	-174.9	179.4	-177.2	0	113.1	T350 E355 A356	T350-K352 VanDerWaalsContact C-N 3.29Å; T350-K352 PolarHBondContact O-N 3.28Å; K352-E355 PolarHBondContact O-N 3.4Å; K352-A356 WeakPolarHBondContact O-CB 3.42Å; K352-A356 PolarHBondContact O-N 3.5Å
353	R	93.6	Very high	91.7	Very high	61 Å²	61	45.9 Å²	45.9	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-39.6	179.9	-174.5	69.5	-149.8	173.6	4	112	I349 T350 K351 L357 G437 F438	I349-R353 HydrophobicContact CD1-CG 4.25Å; I349-R353 HydrophobicContact CG1-CB 3.96Å; I349-R353 HydrophobicContact CG1-CG 3.86Å; T350-R353 PolarHBondContact O-N 3.46Å; T350-R353 VanDerWaalsContact O-N 3.12Å; T350-R353 WeakPolarHBondContact OG1-CB 3.27Å; T350-R353 PolarHBondContact OG1-N 3.09Å; K351-R353 VanDerWaalsContact C-N 3.31Å; K351-R353 PolarHBondContact O-N 3.32Å; R353-L357 WeakPolarHBondContact O-CB 3.21Å; R353-L357 PolarHBondContact O-N 3.28Å; R353-G437 VanDerWaalsContact CZ-O 3.32Å; R353-G437 PolarHBondContact NE-O 2.79Å; R353-G437 PolarHBondContact NH2-O 2.88Å; R353-F438 VanDerWaalsContact NH1-CE1 3.27Å; R353-F438 VanDerWaalsContact NH2-CD1 3.26Å
354	I	94	Very high	91.7	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-42.4	174.3	-62.5	173.4	0	0	0	110.6	L345 I349 T350 K351 A356 L357 F358 V377 F379 V414	L345-I354 HydrophobicContact CD1-CD1 3.74Å; I349-I354 HydrophobicContact CD1-CD1 4.34Å; I349-I354 HydrophobicContact CD1-CG1 3.7Å; I349-I354 HydrophobicContact CG1-CG1 4.1Å; I349-I354 HydrophobicContact CG2-CD1 3.99Å; I349-I354 HydrophobicContact CG2-CG1 4.39Å; T350-I354 PolarHBondContact O-N 2.85Å; K351-I354 PolarHBondContact O-N 2.92Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 2.99Å; I354-L357 PolarHBondContact O-N 3.4Å; I354-F358 HydrophobicContact CG2-CD2 3.84Å; I354-F358 HydrophobicContact CG2-CE2 3.87Å; I354-F358 VanDerWaalsContact O-CD2 3.3Å; I354-F358 WeakPolarHBondContact O-CD2 3.5Å; I354-F358 PolarHBondContact O-N 3.33Å; I354-V377 HydrophobicContact CB-CG1 4.42Å; I354-V377 HydrophobicContact CD1-CG1 4.24Å; I354-V377 HydrophobicContact CG2-CG1 4.16Å; I354-V377 HydrophobicContact CG2-CG2 4.16Å; I354-F379 HydrophobicContact CD1-CE1 3.42Å; I354-F379 VanDerWaalsContact CD1-CE1 3.42Å; I354-F379 HydrophobicContact CD1-CZ 3.69Å; I354-V414 HydrophobicContact CG2-CG2 3.74Å
355	E	94.6	Very high	91.7	Very high	34 Å²	34	55.7 Å²	55.7	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-44	176.1	-71	166.1	161.6	0	0	111.4	K351 K352 N359 V374 V377	K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 IonicContact NZ-OE1 2.69Å; K351-E355 PolarHBondContact NZ-OE1 2.78Å; K351-E355 IonicContact NZ-OE2 3.22Å; K351-E355 WeakPolarHBondContact O-CG 3.21Å; K351-E355 PolarHBondContact O-N 3.13Å; K351-E355 VanDerWaalsContact O-N 3.09Å; K352-E355 PolarHBondContact O-N 3.4Å; E355-N359 VanDerWaalsContact O-CB 3.23Å; E355-N359 WeakPolarHBondContact O-CB 3.36Å; E355-N359 PolarHBondContact O-N 2.75Å; E355-N359 PolarHBondContact O-ND2 2.92Å; E355-V374 HydrophobicContact CG-CB 4.35Å; E355-V374 HydrophobicContact CG-CG1 3.86Å; E355-V377 HydrophobicContact CG-CB 4.42Å; E355-V377 HydrophobicContact CG-CG2 3.52Å
356	A	93.7	Very high	91.5	Very high	39 Å²	39	65 Å²	65	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-47.1	173.7	0	0	0	0	0	112.4	K352 I354 F358 N359 N360	K352-A356 WeakPolarHBondContact O-CB 3.42Å; K352-A356 PolarHBondContact O-N 3.5Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 2.99Å; A356-F358 PolarHBondContact O-N 3.18Å; A356-N359 PolarHBondContact O-N 2.95Å; A356-N360 VanDerWaalsContact O-CB 3.3Å; A356-N360 WeakPolarHBondContact O-CB 3.4Å; A356-N360 PolarHBondContact O-N 3.48Å; A356-N360 PolarHBondContact O-OD1 2.91Å
357	L	93.3	Very high	91.5	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-49.5	179.9	-174.9	151.1	0	0	0	111.8	R353 I354 N360 V361 L428 L433 I439	R353-L357 WeakPolarHBondContact O-CB 3.21Å; R353-L357 PolarHBondContact O-N 3.28Å; I354-L357 PolarHBondContact O-N 3.4Å; L357-N360 PolarHBondContact O-N 3.49Å; L357-V361 HydrophobicContact CD2-CG2 4.49Å; L357-V361 WeakPolarHBondContact O-CG2 3.41Å; L357-V361 PolarHBondContact O-N 2.99Å; L357-V361 VanDerWaalsContact O-N 3.09Å; L357-L428 HydrophobicContact CD2-CD1 3.89Å; L357-L433 HydrophobicContact CD1-CD2 3.6Å; L357-I439 HydrophobicContact CD1-CD1 4.23Å; L357-I439 HydrophobicContact CD1-CG1 3.86Å; L357-I439 HydrophobicContact CG-CD1 4.28Å; L357-I439 HydrophobicContact CG-CG1 4.43Å
358	F	93.7	Very high	91.6	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.018	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-41.3	-177.7	-81.2	-125.7	0	0	0	111.2	I340 V342 I354 A356 V361 L362 V374 V414 V425	I340-F358 HydrophobicContact CG2-CE1 4.45Å; V342-F358 HydrophobicContact CG1-CZ 4.36Å; V342-F358 HydrophobicContact CG2-CE1 4.12Å; V342-F358 HydrophobicContact CG2-CE2 4.39Å; V342-F358 HydrophobicContact CG2-CZ 3.52Å; I354-F358 HydrophobicContact CG2-CD2 3.84Å; I354-F358 HydrophobicContact CG2-CE2 3.87Å; I354-F358 VanDerWaalsContact O-CD2 3.3Å; I354-F358 WeakPolarHBondContact O-CD2 3.5Å; I354-F358 PolarHBondContact O-N 3.33Å; A356-F358 PolarHBondContact O-N 3.18Å; F358-V361 PolarHBondContact O-N 2.97Å; F358-L362 WeakPolarHBondContact O-CG 3.35Å; F358-L362 PolarHBondContact O-N 3.34Å; F358-L362 VanDerWaalsContact O-N 3.11Å; F358-V374 HydrophobicContact CB-CG2 3.56Å; F358-V374 HydrophobicContact CG-CG2 4.38Å; F358-V414 HydrophobicContact CD1-CB 4.23Å; F358-V414 HydrophobicContact CD1-CG1 3.67Å; F358-V414 HydrophobicContact CD1-CG2 4.26Å; F358-V414 HydrophobicContact CE1-CB 3.95Å; F358-V414 HydrophobicContact CE1-CG1 3.92Å; F358-V414 HydrophobicContact CE1-CG2 3.85Å; F358-V414 HydrophobicContact CE2-CG2 4.49Å; F358-V414 HydrophobicContact CG-CG1 4.36Å; F358-V414 HydrophobicContact CZ-CG2 4.02Å; F358-V425 HydrophobicContact CD1-CG1 3.42Å; F358-V425 VanDerWaalsContact CD1-CG1 3.42Å; F358-V425 HydrophobicContact CD1-CG2 4.29Å; F358-V425 HydrophobicContact CE1-CG1 3.2Å; F358-V425 HydrophobicContact CG-CG1 4.47Å; F358-V425 HydrophobicContact CZ-CG1 4.09Å
359	N	93.2	Very high	91.7	Very high	40 Å²	40	63.1 Å²	63.1	21%	0.214	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-33.6	176.5	-70.3	-28.9	0	0	0	112.6	E355 A356 K363 V374	E355-N359 VanDerWaalsContact O-CB 3.23Å; E355-N359 WeakPolarHBondContact O-CB 3.36Å; E355-N359 PolarHBondContact O-N 2.75Å; E355-N359 PolarHBondContact O-ND2 2.92Å; A356-N359 PolarHBondContact O-N 2.95Å; N359-K363 VanDerWaalsContact O-CG 3.29Å; N359-K363 WeakPolarHBondContact O-CG 3.43Å; N359-K363 PolarHBondContact O-N 3.18Å; N359-V374 PolarHBondContact OD1-N 2.98Å
360	N	91.8	Very high	91.6	Very high	83 Å²	83	67.4 Å²	67.4	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-43.6	174.4	-74	2	0	0	0	111.2	A356 L357 L362 K363 N364	A356-N360 VanDerWaalsContact O-CB 3.3Å; A356-N360 WeakPolarHBondContact O-CB 3.4Å; A356-N360 PolarHBondContact O-N 3.48Å; A356-N360 PolarHBondContact O-OD1 2.91Å; L357-N360 PolarHBondContact O-N 3.49Å; N360-L362 VanDerWaalsContact C-N 3.34Å; N360-L362 PolarHBondContact O-N 2.88Å; N360-K363 PolarHBondContact O-N 3.25Å; N360-N364 VanDerWaalsContact O-CG 3.26Å; N360-N364 PolarHBondContact O-N 3.25Å; N360-N364 PolarHBondContact O-OD1 3.35Å; N360-N364 VanDerWaalsContact O-OD1 3.08Å
361	V	92.1	Very high	91.5	Very high	16 Å²	16	67 Å²	67	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-39	178.4	172.4	0	0	0	0	111.6	L357 F358 N364 N365 I424 L428	L357-V361 HydrophobicContact CD2-CG2 4.49Å; L357-V361 WeakPolarHBondContact O-CG2 3.41Å; L357-V361 PolarHBondContact O-N 2.99Å; L357-V361 VanDerWaalsContact O-N 3.09Å; F358-V361 PolarHBondContact O-N 2.97Å; V361-N364 PolarHBondContact O-N 2.92Å; V361-N365 PolarHBondContact O-N 3.09Å; V361-N365 PolarHBondContact O-ND2 3.21Å; V361-I424 HydrophobicContact CG1-CG2 4.04Å; V361-L428 HydrophobicContact CB-CD1 4.12Å; V361-L428 HydrophobicContact CB-CD2 4.31Å; V361-L428 HydrophobicContact CG1-CD1 3.98Å; V361-L428 HydrophobicContact CG1-CD2 3.87Å; V361-L428 HydrophobicContact CG1-CG 4.05Å; V361-L428 HydrophobicContact CG2-CD1 3.88Å; V361-L428 HydrophobicContact CG2-CD2 3.6Å; V361-L428 HydrophobicContact CG2-CG 4.28Å
362	L	93.4	Very high	91.6	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-45.5	172.9	-69.4	168.8	0	0	0	111.7	F358 N360 N365 I367 C372 L416 I424 V425	F358-L362 WeakPolarHBondContact O-CG 3.35Å; F358-L362 PolarHBondContact O-N 3.34Å; F358-L362 VanDerWaalsContact O-N 3.11Å; N360-L362 VanDerWaalsContact C-N 3.34Å; N360-L362 PolarHBondContact O-N 2.88Å; L362-N365 CarbonylContact O-C 3.58Å; L362-N365 PolarHBondContact O-N 2.82Å; L362-I367 HydrophobicContact CB-CB 4.48Å; L362-I367 HydrophobicContact CD2-CD1 4.31Å; L362-I367 WeakPolarHBondContact O-CB 3.32Å; L362-I367 PolarHBondContact O-N 3.48Å; L362-C372 HydrophobicContact CD1-CB 4.27Å; L362-C372 HydrophobicContact CD2-CB 4.36Å; L362-L416 HydrophobicContact CD1-CD2 4.41Å; L362-I424 HydrophobicContact CD2-CG2 4.29Å; L362-V425 HydrophobicContact CD2-CG2 3.96Å; L362-V425 HydrophobicContact CG-CG2 4.19Å
363	K	92.5	Very high	91.6	Very high	114 Å²	114	56.1 Å²	56.1	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.5	-73.6	172.2	178	-173.6	0	112.9	N359 N360 N365 K366	N359-K363 VanDerWaalsContact O-CG 3.29Å; N359-K363 WeakPolarHBondContact O-CG 3.43Å; N359-K363 PolarHBondContact O-N 3.18Å; N360-K363 PolarHBondContact O-N 3.25Å; K363-N365 PolarHBondContact O-N 3.48Å; K363-K366 WeakPolarHBondContact O-CA 3.37Å; K363-K366 PolarHBondContact O-N 2.81Å
364	N	91.1	Very high	91.7	Very high	134 Å²	134	54 Å²	54	72%	0.717	30%	0.299	S	S	*	.	H	α-helix	trans	-61	-31.3	178.2	-69.7	12.2	0	0	0	111.6	N360 V361 K366	N360-N364 VanDerWaalsContact O-CG 3.26Å; N360-N364 PolarHBondContact O-N 3.25Å; N360-N364 PolarHBondContact O-OD1 3.35Å; N360-N364 VanDerWaalsContact O-OD1 3.08Å; V361-N364 PolarHBondContact O-N 2.92Å; N364-K366 PolarHBondContact O-N 3.01Å
365	N	90.8	Very high	91.7	Very high	85 Å²	85	56.7 Å²	56.7	46%	0.455	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	24.2	173.8	-72.2	-92.6	0	0	0	113.2	V361 L362 K363 I367 I424	V361-N365 PolarHBondContact O-N 3.09Å; V361-N365 PolarHBondContact O-ND2 3.21Å; L362-N365 CarbonylContact O-C 3.58Å; L362-N365 PolarHBondContact O-N 2.82Å; K363-N365 PolarHBondContact O-N 3.48Å; N365-I367 PolarHBondContact O-N 2.94Å; N365-I367 VanDerWaalsContact O-N 3.16Å; N365-I424 HydrophobicContact CB-CD1 3.88Å; N365-I424 HydrophobicContact CB-CG1 4.16Å; N365-I424 HydrophobicContact CB-CG2 3.81Å
366	K	89	Confident	91.7	Very high	199 Å²	199	56.4 Å²	56.4	87%	0.865	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	20.4	175.9	-53.5	-179.5	-178.2	178.6	0	115.4	K363 N364	K363-K366 WeakPolarHBondContact O-CA 3.37Å; K363-K366 PolarHBondContact O-N 2.81Å; N364-K366 PolarHBondContact O-N 3.01Å
367	I	89	Confident	91.8	Very high	25 Å²	25	55 Å²	55	13%	0.128	30%	0.301	C	S	.	.			trans	-86.9	125.6	174.3	-67.7	-171.2	0	0	0	110.5	L362 N365 D371 C372 I420 I424	L362-I367 HydrophobicContact CB-CB 4.48Å; L362-I367 HydrophobicContact CD2-CD1 4.31Å; L362-I367 WeakPolarHBondContact O-CB 3.32Å; L362-I367 PolarHBondContact O-N 3.48Å; N365-I367 PolarHBondContact O-N 2.94Å; N365-I367 VanDerWaalsContact O-N 3.16Å; I367-D371 HydrophobicContact CG2-CB 4.28Å; I367-C372 HydrophobicContact CG2-CB 3.73Å; I367-I420 HydrophobicContact CD1-CG2 4.14Å; I367-I424 HydrophobicContact CD1-CD1 3.37Å; I367-I424 HydrophobicContact CG1-CD1 4.14Å
368	S	87.5	Confident	91.6	Very high	65 Å²	65	61.6 Å²	61.6	46%	0.455	33%	0.325	S	S	.	.			trans	-71	146.7	176.2	-54.7	0	0	0	0	110.8	S370 D371 C372	S368-S370 VanDerWaalsContact CB-OG 3.26Å; S368-S370 WeakPolarHBondContact CB-OG 3.41Å; S368-S370 PolarHBondContact O-N 2.91Å; S368-S370 VanDerWaalsContact O-N 3.12Å; S368-D371 VanDerWaalsContact CB-OD2 3.28Å; S368-D371 WeakPolarHBondContact CB-OD2 3.5Å; S368-D371 PolarHBondContact N-OD2 2.99Å; S368-D371 PolarHBondContact O-N 3.42Å; S368-C372 PolarHBondContact O-N 3.39Å
369	S	86.8	Confident	91.4	Very high	62 Å²	62	63.7 Å²	63.7	43%	0.434	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	-178.5	-56.3	0	0	0	0	114.1	C373	S369-C373 PolarHBondContact O-SG 2.71Å
370	S	87.9	Confident	91	Very high	95 Å²	95	67.2 Å²	67.2	66%	0.664	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.2	163.7	43.2	0	0	0	0	112.7	S368	S368-S370 VanDerWaalsContact CB-OG 3.26Å; S368-S370 WeakPolarHBondContact CB-OG 3.41Å; S368-S370 PolarHBondContact O-N 2.91Å; S368-S370 VanDerWaalsContact O-N 3.12Å
371	D	89.2	Confident	90.4	Very high	72 Å²	72	65.2 Å²	65.2	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-33.5	-163.5	-37.7	-28.5	0	0	0	110.8	I367 S368 T418	I367-D371 HydrophobicContact CG2-CB 4.28Å; S368-D371 VanDerWaalsContact CB-OD2 3.28Å; S368-D371 WeakPolarHBondContact CB-OD2 3.5Å; S368-D371 PolarHBondContact N-OD2 2.99Å; S368-D371 PolarHBondContact O-N 3.42Å; D371-T418 WeakPolarHBondContact O-CB 3.26Å; D371-T418 WeakPolarHBondContact O-CG2 3.37Å; D371-T418 PolarHBondContact O-OG1 3.4Å
372	C	92.3	Very high	89.7	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	34%	0.343	C	S	.	.	S	Bend	trans	-152.1	130.8	168.1	-154.2	0	0	0	0	111.5	L362 I367 S368 T418	L362-C372 HydrophobicContact CD1-CB 4.27Å; L362-C372 HydrophobicContact CD2-CB 4.36Å; I367-C372 HydrophobicContact CG2-CB 3.73Å; S368-C372 PolarHBondContact O-N 3.39Å; C372-T418 PolarHBondContact SG-OG1 3.43Å; C372-T418 VanDerWaalsContact SG-OG1 3.38Å
373	C	93.6	Very high	89.2	Confident	35 Å²	35	66.1 Å²	66.1	24%	0.236	35%	0.348	C	S	.	.			trans	-149.2	167.3	168.7	55.9	0	0	0	0	110.2	S369 E375 L416 T417	S369-C373 PolarHBondContact O-SG 2.71Å; C373-E375 PolarHBondContact O-N 3.09Å; C373-L416 CarbonylContact O-C 3.58Å; C373-L416 WeakPolarHBondContact O-CA 3.28Å; C373-T417 PolarHBondContact N-OG1 3.01Å; C373-T417 VanDerWaalsContact N-OG1 3.1Å; C373-T417 PolarHBondContact O-N 3.06Å; C373-T417 PolarHBondContact O-OG1 3.42Å; C373-T417 VanDerWaalsContact SG-CG2 3.54Å
374	V	95.9	Very high	88.8	Confident	17 Å²	17	61 Å²	61	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.3	173.8	-179.1	0	0	0	0	110.3	E355 F358 N359 V377 V414 L416	E355-V374 HydrophobicContact CG-CB 4.35Å; E355-V374 HydrophobicContact CG-CG1 3.86Å; F358-V374 HydrophobicContact CB-CG2 3.56Å; F358-V374 HydrophobicContact CG-CG2 4.38Å; N359-V374 PolarHBondContact OD1-N 2.98Å; V374-V377 HydrophobicContact CG1-CG2 3.58Å; V374-V414 HydrophobicContact CB-CG1 4.44Å; V374-V414 HydrophobicContact CG1-CG1 3.73Å; V374-V414 HydrophobicContact CG2-CG1 3.88Å; V374-L416 HydrophobicContact CG2-CD2 4.01Å
375	E	94.7	Very high	88.5	Confident	59 Å²	59	59.2 Å²	59.2	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-41.5	174.4	-179.2	-128.1	-108.8	0	0	111.1	R335 R338 C373 V415 T417	R335-E375 IonicContact CZ-OE1 2.65Å; R335-E375 IonicContact CZ-OE2 2.7Å; R335-E375 IonicContact NH1-OE1 2.75Å; R335-E375 PolarHBondContact NH1-OE1 3.41Å; R335-E375 IonicContact NH1-OE2 3.47Å; R335-E375 PolarHBondContact NH1-OE2 3.27Å; R335-E375 IonicContact NH2-OE1 3.59Å; R335-E375 IonicContact NH2-OE2 3.7Å; R335-E375 PolarHBondContact NH2-OE2 3.46Å; R338-E375 IonicContact CZ-OE1 3.78Å; R338-E375 VanDerWaalsContact CZ-OE1 3.23Å; R338-E375 IonicContact NH1-OE1 2.7Å; R338-E375 PolarHBondContact NH1-OE1 3.09Å; R338-E375 IonicContact NH1-OE2 3.86Å; R338-E375 IonicContact NH2-OE1 3.04Å; R338-E375 PolarHBondContact NH2-OE1 2.97Å; C373-E375 PolarHBondContact O-N 3.09Å; E375-V415 WeakPolarHBondContact CB-O 3.46Å; E375-V415 PolarHBondContact N-O 2.88Å; E375-T417 HydrophobicContact CB-CG2 3.96Å
376	S	94.6	Very high	88	Confident	28 Å²	28	60.5 Å²	60.5	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	148.9	176.7	55.4	0	0	0	0	113.8	R335 V415	R335-S376 PolarHBondContact NH2-OG 3.33Å; S376-V415 PolarHBondContact N-O 3.27Å; S376-V415 PolarHBondContact O-N 3.1Å
377	V	94.5	Very high	87.3	Confident	11 Å²	11	52.7 Å²	52.7	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.3	171.5	-178.7	0	0	0	0	110.3	K351 I354 E355 V374 Y413 V414	K351-V377 WeakPolarHBondContact CE-O 3.44Å; K351-V377 HydrophobicContact CG-CB 3.95Å; I354-V377 HydrophobicContact CB-CG1 4.42Å; I354-V377 HydrophobicContact CD1-CG1 4.24Å; I354-V377 HydrophobicContact CG2-CG1 4.16Å; I354-V377 HydrophobicContact CG2-CG2 4.16Å; E355-V377 HydrophobicContact CG-CB 4.42Å; E355-V377 HydrophobicContact CG-CG2 3.52Å; V374-V377 HydrophobicContact CG1-CG2 3.58Å; V377-Y413 WeakPolarHBondContact CA-O 3.41Å; V377-V414 HydrophobicContact CG1-CG2 4.18Å; V377-V414 HydrophobicContact CG2-CB 4.42Å; V377-V414 HydrophobicContact CG2-CG1 4.15Å; V377-V414 HydrophobicContact CG2-CG2 3.95Å
378	R	91	Very high	86.6	Confident	146 Å²	146	53.8 Å²	53.8	55%	0.551	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	113.4	-178.2	-177.9	-180	-174.3	160.3	11.7	111.9	G412 Y413	R378-G412 CarbonylContact O-C 3.49Å; R378-G412 WeakPolarHBondContact O-CA 3.33Å; R378-Y413 PolarHBondContact N-O 2.86Å; R378-Y413 PolarHBondContact O-N 3.46Å
379	F	88.6	Confident	86.3	Confident	49 Å²	49	53.8 Å²	53.8	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.8	174	-65.6	-58.8	0	0	0	113.7	L345 I349 K351 I354 R410	L345-F379 HydrophobicContact CD1-CE1 4.46Å; I349-F379 HydrophobicContact CG2-CE1 4.15Å; I349-F379 HydrophobicContact CG2-CZ 4.15Å; K351-F379 HydrophobicContact CB-CE2 4.34Å; I354-F379 HydrophobicContact CD1-CE1 3.42Å; I354-F379 VanDerWaalsContact CD1-CE1 3.42Å; I354-F379 HydrophobicContact CD1-CZ 3.69Å; F379-R410 HydrophobicContact CB-CG 4.38Å; F379-R410 HydrophobicContact CD1-CG 3.7Å; F379-R410 HydrophobicContact CE1-CG 4.23Å; F379-R410 VanDerWaalsContact CG-CD 3.49Å; F379-R410 HydrophobicContact CG-CG 4.23Å
380	R	85.3	Confident	86.3	Confident	113 Å²	113	53.5 Å²	53.5	43%	0.426	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-178.7	-177.5	-66.2	-62.3	-158.9	154.9	12.1	109.3	V382 M411 Y413	R380-V382 PolarHBondContact O-N 2.85Å; R380-M411 VanDerWaalsContact C-CG 3.49Å; R380-M411 CarbonylContact C-O 3.6Å; R380-M411 HydrophobicContact CB-CG 4.09Å; R380-M411 PolarHBondContact N-O 2.81Å; R380-M411 WeakPolarHBondContact O-CG 3.22Å; R380-Y413 HydrophobicContact CG-CD2 3.72Å; R380-Y413 HydrophobicContact CG-CE2 3.83Å
381	G	79.6	Confident	86.1	Confident	41 Å²	41	58.9 Å²	58.9	42%	0.423	33%	0.326	S	S	.	.	S	Bend	trans	72.9	-14.4	-176.8	0	0	0	0	0	115
382	V	76.9	Confident	86	Confident	16 Å²	16	62 Å²	62	10%	0.097	34%	0.341	C	S	.	.			trans	-50.7	137.5	171.4	160.5	0	0	0	0	112.7	R380 A397 A398 F403	R380-V382 PolarHBondContact O-N 2.85Å; V382-A397 HydrophobicContact CG1-CB 3.71Å; V382-A398 HydrophobicContact CG1-CB 4.4Å; V382-F403 HydrophobicContact CB-CD1 4.23Å; V382-F403 HydrophobicContact CB-CE1 4.16Å; V382-F403 HydrophobicContact CG1-CD1 3.51Å; V382-F403 HydrophobicContact CG1-CE1 3.56Å; V382-F403 HydrophobicContact CG2-CD1 3.8Å; V382-F403 HydrophobicContact CG2-CE1 3.46Å; V382-F403 VanDerWaalsContact CG2-CE1 3.46Å; V382-F403 HydrophobicContact CG2-CZ 4.04Å
383	I	81.7	Confident	85.7	Confident	22 Å²	22	63.1 Å²	63.1	11%	0.113	35%	0.351	C	S	.	.			trans	-124.4	129.3	176.3	-51.1	163.9	0	0	0	107.4	F403 S404 S407 T525	I383-F403 WeakPolarHBondContact O-CA 3.18Å; I383-S404 WeakPolarHBondContact CB-OG 3.3Å; I383-S404 WeakPolarHBondContact CG2-OG 3.49Å; I383-S404 PolarHBondContact O-N 3.24Å; I383-S407 WeakPolarHBondContact CD1-OG 3.19Å; I383-T525 WeakPolarHBondContact CD1-O 3.46Å
384	P	84	Confident	85.2	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.039	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-66.3	141.3	177.1	28.2	-36.3	0	0	0	112.2	T386 G387 G388 A393 A397	P384-T386 PolarHBondContact O-N 3.06Å; P384-G387 WeakPolarHBondContact CG-O 3.42Å; P384-G387 PolarHBondContact O-N 3.3Å; P384-G388 WeakPolarHBondContact CG-O 3.43Å; P384-A393 HydrophobicContact CG-CB 4.15Å; P384-A397 HydrophobicContact CB-CB 3.89Å
385	V	84.9	Confident	84.6	Confident	97 Å²	97	69 Å²	69	59%	0.588	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.7	168	173.2	0	0	0	0	111.8	G387 E402 F403	V385-G387 PolarHBondContact O-N 3.44Å; V385-E402 HydrophobicContact CG2-CB 4.34Å; V385-E402 PolarHBondContact N-O 3.21Å; V385-E402 VanDerWaalsContact N-O 3.1Å; V385-F403 VanDerWaalsContact CG2-C 3.42Å; V385-F403 VanDerWaalsContact CG2-O 3.3Å; V385-F403 WeakPolarHBondContact CG2-O 3.45Å
386	T	81	Confident	84.2	Confident	112 Å²	112	72.5 Å²	72.5	69%	0.687	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.2	175.6	-34.9	0	0	0	0	113.9	P384	P384-T386 PolarHBondContact O-N 3.06Å
387	G	74	Confident	83.7	Confident	34 Å²	34	71.2 Å²	71.2	35%	0.351	37%	0.37	S	S	.	.			trans	69.1	-179.2	-162.6	0	0	0	0	0	112.4	P384 V385	P384-G387 WeakPolarHBondContact CG-O 3.42Å; P384-G387 PolarHBondContact O-N 3.3Å; V385-G387 PolarHBondContact O-N 3.44Å
388	G	74.3	Confident	83	Confident	49 Å²	49	73.1 Å²	73.1	51%	0.505	39%	0.387	S	S	.	.			trans	98	136.4	178.9	0	0	0	0	0	114.1	P384	P384-G388 WeakPolarHBondContact CG-O 3.43Å
389	T	82.1	Confident	82.6	Confident	64 Å²	64	72 Å²	72	39%	0.393	39%	0.391	S	S	.	.			trans	-93	-2.5	-173.4	59.6	0	0	0	0	113.4	R394 Q524	T389-R394 VanDerWaalsContact O-CZ 3.3Å; T389-R394 PolarHBondContact O-NE 3.24Å; T389-R394 PolarHBondContact O-NH2 2.86Å; T389-Q524 HydrophobicContact CG2-CB 3.58Å; T389-Q524 HydrophobicContact CG2-CG 3.85Å
390	S	85.8	Confident	82.4	Confident	56 Å²	56	72.9 Å²	72.9	39%	0.392	40%	0.4	S	S	.	.			trans	-64.6	151.6	-169.5	83.7	0	0	0	0	112.9	L392 A393 R394	S390-L392 PolarHBondContact O-N 3.04Å; S390-A393 PolarHBondContact O-N 3.09Å; S390-A393 VanDerWaalsContact OG-CB 3.32Å; S390-A393 WeakPolarHBondContact OG-CB 3.32Å; S390-A393 PolarHBondContact OG-N 3.47Å; S390-A393 VanDerWaalsContact OG-N 3.1Å; S390-R394 PolarHBondContact O-N 2.85Å
391	R	84.5	Confident	82.2	Confident	209 Å²	209	69.4 Å²	69.4	79%	0.789	40%	0.4	S	S	*	.	H	α-helix	trans	-60.2	-34.9	177.8	177	177.7	168.9	-179.4	-5.4	111.7	K395	R391-K395 PolarHBondContact O-N 2.97Å
392	L	87.1	Confident	82.4	Confident	136 Å²	136	70.9 Å²	70.9	71%	0.712	40%	0.395	S	S	*	.	H	α-helix	trans	-74.9	-44.6	-179.5	-172.3	61.9	0	0	0	111.6	S390 R394 K395 R396	S390-L392 PolarHBondContact O-N 3.04Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.03Å; L392-K395 PolarHBondContact O-N 2.71Å; L392-R396 PolarHBondContact O-N 3.41Å
393	A	86	Confident	82.5	Confident	25 Å²	25	73.3 Å²	73.3	21%	0.207	41%	0.405	C	S	.	.	H	α-helix	trans	-60.2	-42.4	175.3	0	0	0	0	0	111.5	P384 S390 K395 R396 A397	P384-A393 HydrophobicContact CG-CB 4.15Å; S390-A393 PolarHBondContact O-N 3.09Å; S390-A393 VanDerWaalsContact OG-CB 3.32Å; S390-A393 WeakPolarHBondContact OG-CB 3.32Å; S390-A393 PolarHBondContact OG-N 3.47Å; S390-A393 VanDerWaalsContact OG-N 3.1Å; A393-K395 PolarHBondContact O-N 3.36Å; A393-R396 PolarHBondContact O-N 3.21Å; A393-A397 PolarHBondContact O-N 3.04Å
394	R	83.7	Confident	82.5	Confident	91 Å²	91	73.4 Å²	73.4	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-69.3	-25.4	173.7	-68.8	-163.9	-104.3	-155.6	-3	114.1	T389 S390 L392 A398 S523	T389-R394 VanDerWaalsContact O-CZ 3.3Å; T389-R394 PolarHBondContact O-NE 3.24Å; T389-R394 PolarHBondContact O-NH2 2.86Å; S390-R394 PolarHBondContact O-N 2.85Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.03Å; R394-A398 VanDerWaalsContact O-CB 3.32Å; R394-A398 WeakPolarHBondContact O-CB 3.42Å; R394-A398 PolarHBondContact O-N 3.2Å; R394-S523 PolarHBondContact NH1-O 2.83Å
395	K	83.1	Confident	82.3	Confident	85 Å²	85	76.6 Å²	76.6	37%	0.37	44%	0.442	S	S	.	.	H	α-helix	trans	-74.1	-45.4	168.4	-170.7	-178.6	177	-177.6	0	110.8	E304 R391 L392 A393 A398 I399	E304-K395 WeakPolarHBondContact OE1-CE 3.35Å; E304-K395 IonicContact OE1-NZ 2.75Å; E304-K395 PolarHBondContact OE1-NZ 3.08Å; E304-K395 IonicContact OE2-NZ 3.75Å; E304-K395 PolarHBondContact OE2-NZ 3.44Å; R391-K395 PolarHBondContact O-N 2.97Å; L392-K395 PolarHBondContact O-N 2.71Å; A393-K395 PolarHBondContact O-N 3.36Å; K395-A398 PolarHBondContact O-N 3.21Å; K395-I399 HydrophobicContact CD-CD1 4.36Å; K395-I399 HydrophobicContact CG-CD1 3.94Å; K395-I399 WeakPolarHBondContact O-CG1 3.43Å; K395-I399 PolarHBondContact O-N 2.88Å
396	R	85.8	Confident	82.1	Confident	132 Å²	132	76.1 Å²	76.1	50%	0.498	44%	0.439	S	S	.	.	H	α-helix	trans	-55.3	-58	177.5	176.1	-176	158	165.1	-2	110.7	L392 A393 A398 I399 T400 E402	L392-R396 PolarHBondContact O-N 3.41Å; A393-R396 PolarHBondContact O-N 3.21Å; R396-A398 VanDerWaalsContact C-N 3.26Å; R396-A398 PolarHBondContact O-N 3.23Å; R396-I399 CarbonylContact O-C 3.43Å; R396-I399 WeakPolarHBondContact O-CA 3.17Å; R396-I399 WeakPolarHBondContact O-CB 3.27Å; R396-I399 PolarHBondContact O-N 3.28Å; R396-T400 HydrophobicContact CG-CG2 3.91Å; R396-T400 PolarHBondContact O-N 2.94Å; R396-T400 PolarHBondContact O-OG1 2.89Å; R396-T400 VanDerWaalsContact O-OG1 3.11Å; R396-E402 IonicContact CZ-OE1 2.6Å; R396-E402 IonicContact CZ-OE2 4Å; R396-E402 IonicContact NE-OE2 3.46Å; R396-E402 PolarHBondContact NE-OE2 2.77Å; R396-E402 IonicContact NH2-OE1 3.84Å; R396-E402 PolarHBondContact NH2-OE1 2.94Å; R396-E402 IonicContact NH2-OE2 2.92Å; R396-E402 PolarHBondContact NH2-OE2 3.28Å
397	A	85	Confident	82	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.008	41%	0.411	C	S	.	.	H	α-helix	trans	-57.2	-40.2	-178	0	0	0	0	0	112.5	V382 P384 A393 I399 T400 G401 F403	V382-A397 HydrophobicContact CG1-CB 3.71Å; P384-A397 HydrophobicContact CB-CB 3.89Å; A393-A397 PolarHBondContact O-N 3.04Å; A397-I399 PolarHBondContact O-N 3.29Å; A397-T400 WeakPolarHBondContact CA-OG1 3.4Å; A397-T400 PolarHBondContact O-N 3.21Å; A397-G401 PolarHBondContact O-N 3.22Å; A397-F403 WeakPolarHBondContact O-CE1 3.37Å
398	A	79.6	Confident	82.3	Confident	51 Å²	51	74.1 Å²	74.1	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-66.4	-12	176	0	0	0	0	0	114.7	V382 R394 K395 R396	V382-A398 HydrophobicContact CG1-CB 4.4Å; R394-A398 VanDerWaalsContact O-CB 3.32Å; R394-A398 WeakPolarHBondContact O-CB 3.42Å; R394-A398 PolarHBondContact O-N 3.2Å; K395-A398 PolarHBondContact O-N 3.21Å; R396-A398 VanDerWaalsContact C-N 3.26Å; R396-A398 PolarHBondContact O-N 3.23Å
399	I	80.8	Confident	82.9	Confident	122 Å²	122	72.6 Å²	72.6	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-102.4	-42.9	174	-68.8	170.8	0	0	0	111.1	K395 R396 A397	K395-I399 HydrophobicContact CD-CD1 4.36Å; K395-I399 HydrophobicContact CG-CD1 3.94Å; K395-I399 WeakPolarHBondContact O-CG1 3.43Å; K395-I399 PolarHBondContact O-N 2.88Å; R396-I399 CarbonylContact O-C 3.43Å; R396-I399 WeakPolarHBondContact O-CA 3.17Å; R396-I399 WeakPolarHBondContact O-CB 3.27Å; R396-I399 PolarHBondContact O-N 3.28Å; A397-I399 PolarHBondContact O-N 3.29Å
400	T	85.5	Confident	83.1	Confident	69 Å²	69	70.7 Å²	70.7	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-80.4	-17.9	-176.6	55.6	0	0	0	0	113.8	R396 A397 E402	R396-T400 HydrophobicContact CG-CG2 3.91Å; R396-T400 PolarHBondContact O-N 2.94Å; R396-T400 PolarHBondContact O-OG1 2.89Å; R396-T400 VanDerWaalsContact O-OG1 3.11Å; A397-T400 WeakPolarHBondContact CA-OG1 3.4Å; A397-T400 PolarHBondContact O-N 3.21Å; T400-E402 WeakPolarHBondContact CB-OE2 3.49Å; T400-E402 WeakPolarHBondContact CG2-OE2 3.33Å; T400-E402 PolarHBondContact O-N 2.86Å; T400-E402 WeakPolarHBondContact OG1-CB 3.26Å; T400-E402 VanDerWaalsContact OG1-CD 3.25Å; T400-E402 VanDerWaalsContact OG1-CG 3.31Å; T400-E402 WeakPolarHBondContact OG1-CG 3.28Å; T400-E402 PolarHBondContact OG1-N 2.92Å; T400-E402 PolarHBondContact OG1-OE2 3.18Å
401	G	81.5	Confident	83.3	Confident	40 Å²	40	70.3 Å²	70.3	41%	0.412	37%	0.37	S	S	.	.			trans	79.2	0.6	-173.2	0	0	0	0	0	114.1	A397 F403	A397-G401 PolarHBondContact O-N 3.22Å; G401-F403 VanDerWaalsContact C-N 3.3Å; G401-F403 WeakPolarHBondContact O-CD2 3.37Å; G401-F403 WeakPolarHBondContact O-CG 3.33Å; G401-F403 PolarHBondContact O-N 3.16Å
402	E	82.2	Confident	83.7	Confident	71 Å²	71	60.5 Å²	60.5	33%	0.332	33%	0.334	S	S	.	.			trans	-72.5	75.5	-177.2	-63.3	165.5	132.2	0	0	111.4	V385 R396 T400	V385-E402 HydrophobicContact CG2-CB 4.34Å; V385-E402 PolarHBondContact N-O 3.21Å; V385-E402 VanDerWaalsContact N-O 3.1Å; R396-E402 IonicContact CZ-OE1 2.6Å; R396-E402 IonicContact CZ-OE2 4Å; R396-E402 IonicContact NE-OE2 3.46Å; R396-E402 PolarHBondContact NE-OE2 2.77Å; R396-E402 IonicContact NH2-OE1 3.84Å; R396-E402 PolarHBondContact NH2-OE1 2.94Å; R396-E402 IonicContact NH2-OE2 2.92Å; R396-E402 PolarHBondContact NH2-OE2 3.28Å; T400-E402 WeakPolarHBondContact CB-OE2 3.49Å; T400-E402 WeakPolarHBondContact CG2-OE2 3.33Å; T400-E402 PolarHBondContact O-N 2.86Å; T400-E402 WeakPolarHBondContact OG1-CB 3.26Å; T400-E402 VanDerWaalsContact OG1-CD 3.25Å; T400-E402 VanDerWaalsContact OG1-CG 3.31Å; T400-E402 WeakPolarHBondContact OG1-CG 3.28Å; T400-E402 PolarHBondContact OG1-N 2.92Å; T400-E402 PolarHBondContact OG1-OE2 3.18Å
403	F	80.8	Confident	84.1	Confident	67 Å²	67	57.9 Å²	57.9	29%	0.294	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-97.6	136.3	-178.1	-48.3	-41.6	0	0	0	112.9	V382 I383 V385 A397 G401	V382-F403 HydrophobicContact CB-CD1 4.23Å; V382-F403 HydrophobicContact CB-CE1 4.16Å; V382-F403 HydrophobicContact CG1-CD1 3.51Å; V382-F403 HydrophobicContact CG1-CE1 3.56Å; V382-F403 HydrophobicContact CG2-CD1 3.8Å; V382-F403 HydrophobicContact CG2-CE1 3.46Å; V382-F403 VanDerWaalsContact CG2-CE1 3.46Å; V382-F403 HydrophobicContact CG2-CZ 4.04Å; I383-F403 WeakPolarHBondContact O-CA 3.18Å; V385-F403 VanDerWaalsContact CG2-C 3.42Å; V385-F403 VanDerWaalsContact CG2-O 3.3Å; V385-F403 WeakPolarHBondContact CG2-O 3.45Å; A397-F403 WeakPolarHBondContact O-CE1 3.37Å; G401-F403 VanDerWaalsContact C-N 3.3Å; G401-F403 WeakPolarHBondContact O-CD2 3.37Å; G401-F403 WeakPolarHBondContact O-CG 3.33Å; G401-F403 PolarHBondContact O-N 3.16Å
404	S	80.6	Confident	84.5	Confident	25 Å²	25	56.7 Å²	56.7	18%	0.175	31%	0.305	C	S	.	.			trans	-71.3	132.9	169.6	68.5	0	0	0	0	111.1	I383 V406	I383-S404 WeakPolarHBondContact CB-OG 3.3Å; I383-S404 WeakPolarHBondContact CG2-OG 3.49Å; I383-S404 PolarHBondContact O-N 3.24Å; S404-V406 PolarHBondContact O-N 3.34Å
405	G	80.2	Confident	85.1	Confident	73 Å²	73	52.8 Å²	52.8	75%	0.753	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-4	-179.7	0	0	0	0	0	116.7	S407	G405-S407 PolarHBondContact O-N 3.05Å
406	V	81.4	Confident	85.8	Confident	86 Å²	86	48.8 Å²	48.8	52%	0.521	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	177.2	-176.4	0	0	0	0	112.8	S404 A527	S404-V406 PolarHBondContact O-N 3.34Å; V406-A527 HydrophobicContact CG1-CB 4.17Å
407	S	77.7	Confident	86.2	Confident	14 Å²	14	44.9 Å²	44.9	10%	0.098	27%	0.265	C	S	.	.			trans	-104.9	103.6	177.5	-73.4	0	0	0	0	110.8	L347 I383 G405 F409	L347-S407 WeakPolarHBondContact CD1-O 3.42Å; I383-S407 WeakPolarHBondContact CD1-OG 3.19Å; G405-S407 PolarHBondContact O-N 3.05Å; S407-F409 VanDerWaalsContact CB-CE2 3.45Å; S407-F409 PolarHBondContact O-N 2.91Å; S407-F409 WeakPolarHBondContact OG-CE2 3.3Å
408	K	81.4	Confident	86.7	Confident	91 Å²	91	46.9 Å²	46.9	40%	0.396	28%	0.277	S	S	.	.	S	Bend	trans	-68.5	5.4	178.6	-64.4	178.5	175.8	176.3	0	115	D498 T500	K408-D498 PolarHBondContact NZ-O 3.35Å; K408-T500 HydrophobicContact CD-CG2 3.86Å
409	F	85.9	Confident	87.3	Confident	16 Å²	16	49.7 Å²	49.7	7%	0.07	28%	0.28	C	S	.	.	S	Bend	trans	-149.3	165.3	-163.3	34.9	-118.4	0	0	0	110.7	L345 L347 S407 R521	L345-F409 CarbonylContact O-C 3.55Å; L345-F409 WeakPolarHBondContact O-CA 3.5Å; L347-F409 WeakPolarHBondContact CD2-O 3.2Å; S407-F409 VanDerWaalsContact CB-CE2 3.45Å; S407-F409 PolarHBondContact O-N 2.91Å; S407-F409 WeakPolarHBondContact OG-CE2 3.3Å; F409-R521 VanDerWaalsContact CD1-NH2 3.27Å; F409-R521 VanDerWaalsContact CD2-CZ 3.5Å; F409-R521 VanDerWaalsContact CE1-CZ 3.46Å; F409-R521 VanDerWaalsContact CZ-NE 3.33Å
410	R	86.3	Confident	87.9	Confident	25 Å²	25	49 Å²	49	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.9	169.3	-161.2	168.4	-70.6	134.7	6.3	110.7	N344 L345 L347 I349 F379	N344-R410 PolarHBondContact N-O 3.02Å; L345-R410 HydrophobicContact CB-CB 4.26Å; L345-R410 PolarHBondContact N-O 3.36Å; L345-R410 PolarHBondContact O-N 2.97Å; L347-R410 PolarHBondContact O-NH1 3.14Å; L347-R410 PolarHBondContact O-NH2 3.47Å; I349-R410 PolarHBondContact O-NH1 3.07Å; I349-R410 VanDerWaalsContact O-NH1 3.08Å; F379-R410 HydrophobicContact CB-CG 4.38Å; F379-R410 HydrophobicContact CD1-CG 3.7Å; F379-R410 HydrophobicContact CE1-CG 4.23Å; F379-R410 VanDerWaalsContact CG-CD 3.49Å; F379-R410 HydrophobicContact CG-CG 4.23Å
411	M	90.9	Very high	88.2	Confident	48 Å²	48	45.8 Å²	45.8	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	164.4	167	63.1	178.6	70.9	0	0	109.2	F341 V342 R380	F341-M411 HydrophobicContact CE2-CB 4Å; F341-M411 HydrophobicContact CE2-CG 4.45Å; F341-M411 HydrophobicContact CE2-SD 4.11Å; F341-M411 HydrophobicContact CZ-CB 4.09Å; V342-M411 CarbonylContact O-C 3.51Å; V342-M411 VanDerWaalsContact O-CA 3.26Å; V342-M411 WeakPolarHBondContact O-CA 3.23Å; R380-M411 VanDerWaalsContact C-CG 3.49Å; R380-M411 CarbonylContact C-O 3.6Å; R380-M411 HydrophobicContact CB-CG 4.09Å; R380-M411 PolarHBondContact N-O 2.81Å; R380-M411 WeakPolarHBondContact O-CG 3.22Å
412	G	91.9	Very high	88.8	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-178.9	-179.3	0	0	0	0	0	113.5	V342 R378	V342-G412 PolarHBondContact N-O 3.14Å; V342-G412 PolarHBondContact O-N 3.46Å; R378-G412 CarbonylContact O-C 3.49Å; R378-G412 WeakPolarHBondContact O-CA 3.33Å
413	Y	94.9	Very high	89.3	Confident	81 Å²	81	45.3 Å²	45.3	32%	0.318	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.5	170.4	-68.2	-77.8	0	0	0	108.8	T339 I340 F341 V377 R378 R380 A476	T339-Y413 HydrophobicContact CG2-CD1 3.82Å; T339-Y413 HydrophobicContact CG2-CG 4.15Å; I340-Y413 CarbonylContact O-C 3.52Å; I340-Y413 VanDerWaalsContact O-CA 3.26Å; I340-Y413 WeakPolarHBondContact O-CA 3.47Å; F341-Y413 HydrophobicContact CB-CD1 4.08Å; F341-Y413 HydrophobicContact CB-CE1 3.83Å; F341-Y413 HydrophobicContact CD2-CD1 4.41Å; F341-Y413 AromaticContact CD2-CE1 3.86Å; F341-Y413 HydrophobicContact CD2-CE1 3.86Å; F341-Y413 HydrophobicContact CG-CE1 4.34Å; V377-Y413 WeakPolarHBondContact CA-O 3.41Å; R378-Y413 PolarHBondContact N-O 2.86Å; R378-Y413 PolarHBondContact O-N 3.46Å; R380-Y413 HydrophobicContact CG-CD2 3.72Å; R380-Y413 HydrophobicContact CG-CE2 3.83Å; Y413-A476 HydrophobicContact CD1-CB 3.89Å; Y413-A476 HydrophobicContact CE1-CB 3.85Å
414	V	95.9	Very high	90	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.1	172.9	178.9	0	0	0	0	107.5	T339 I340 V342 I354 F358 V374 V377 L416	T339-V414 CarbonylContact C-O 3.46Å; T339-V414 WeakPolarHBondContact CA-O 3.48Å; I340-V414 PolarHBondContact N-O 3.1Å; I340-V414 PolarHBondContact O-N 2.95Å; V342-V414 HydrophobicContact CG2-CB 4.37Å; V342-V414 HydrophobicContact CG2-CG2 3.61Å; I354-V414 HydrophobicContact CG2-CG2 3.74Å; F358-V414 HydrophobicContact CD1-CB 4.23Å; F358-V414 HydrophobicContact CD1-CG1 3.67Å; F358-V414 HydrophobicContact CD1-CG2 4.26Å; F358-V414 HydrophobicContact CE1-CB 3.95Å; F358-V414 HydrophobicContact CE1-CG1 3.92Å; F358-V414 HydrophobicContact CE1-CG2 3.85Å; F358-V414 HydrophobicContact CE2-CG2 4.49Å; F358-V414 HydrophobicContact CG-CG1 4.36Å; F358-V414 HydrophobicContact CZ-CG2 4.02Å; V374-V414 HydrophobicContact CB-CG1 4.44Å; V374-V414 HydrophobicContact CG1-CG1 3.73Å; V374-V414 HydrophobicContact CG2-CG1 3.88Å; V377-V414 HydrophobicContact CG1-CG2 4.18Å; V377-V414 HydrophobicContact CG2-CB 4.42Å; V377-V414 HydrophobicContact CG2-CG1 4.15Å; V377-V414 HydrophobicContact CG2-CG2 3.95Å; V414-L416 HydrophobicContact CG1-CD2 4.38Å
415	V	96.6	Very high	90.6	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.3	177.2	-165.1	0	0	0	0	107.9	R335 R338 T339 E375 S376	R335-V415 HydrophobicContact CG-CG1 4.07Å; R338-V415 HydrophobicContact CG-CG1 4.09Å; R338-V415 VanDerWaalsContact NH1-CG1 3.33Å; T339-V415 HydrophobicContact CG2-CG2 4.14Å; E375-V415 WeakPolarHBondContact CB-O 3.46Å; E375-V415 PolarHBondContact N-O 2.88Å; S376-V415 PolarHBondContact N-O 3.27Å; S376-V415 PolarHBondContact O-N 3.1Å
416	L	96	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	153.7	173.6	-60.1	-177.9	0	0	0	110	R338 I340 L362 C373 V374 V414 T418 I422 V425	R338-L416 VanDerWaalsContact CD-O 3.25Å; R338-L416 WeakPolarHBondContact CD-O 3.4Å; R338-L416 WeakPolarHBondContact CG-O 3.44Å; R338-L416 PolarHBondContact NH1-O 3Å; R338-L416 PolarHBondContact O-N 2.63Å; I340-L416 HydrophobicContact CD1-CD1 3.73Å; I340-L416 HydrophobicContact CD1-CG 4.2Å; L362-L416 HydrophobicContact CD1-CD2 4.41Å; C373-L416 CarbonylContact O-C 3.58Å; C373-L416 WeakPolarHBondContact O-CA 3.28Å; V374-L416 HydrophobicContact CG2-CD2 4.01Å; V414-L416 HydrophobicContact CG1-CD2 4.38Å; L416-T418 WeakPolarHBondContact CB-O 3.49Å; L416-I422 HydrophobicContact CD1-CG1 4.08Å; L416-V425 HydrophobicContact CD1-CG2 4.3Å
417	T	95.2	Very high	91.6	Very high	50 Å²	50	41.5 Å²	41.5	31%	0.307	22%	0.219	S	C	.	.	S	Bend	trans	-62.7	-46.4	173.7	47.6	0	0	0	0	111.8	R338 C373 E375	R338-T417 VanDerWaalsContact CD-O 3.31Å; R338-T417 WeakPolarHBondContact CD-O 3.47Å; C373-T417 PolarHBondContact N-OG1 3.01Å; C373-T417 VanDerWaalsContact N-OG1 3.1Å; C373-T417 PolarHBondContact O-N 3.06Å; C373-T417 PolarHBondContact O-OG1 3.42Å; C373-T417 VanDerWaalsContact SG-CG2 3.54Å; E375-T417 HydrophobicContact CB-CG2 3.96Å
418	T	94.4	Very high	92.2	Very high	44 Å²	44	41.4 Å²	41.4	27%	0.27	22%	0.217	S	C	.	.	S	Bend	trans	-118.8	176.4	179.7	70.1	0	0	0	0	112	D371 C372 L416	D371-T418 WeakPolarHBondContact O-CB 3.26Å; D371-T418 WeakPolarHBondContact O-CG2 3.37Å; D371-T418 PolarHBondContact O-OG1 3.4Å; C372-T418 PolarHBondContact SG-OG1 3.43Å; C372-T418 VanDerWaalsContact SG-OG1 3.38Å; L416-T418 WeakPolarHBondContact CB-O 3.49Å
419	K	93.8	Very high	92.7	Very high	110 Å²	110	38.4 Å²	38.4	48%	0.478	21%	0.206	S	C	.	.	S	Bend	trans	-90.5	-10.1	177.4	-56.6	-177.4	-162.5	-173.9	0	113.4	S337 R338 G421 I422	S337-K419 WeakPolarHBondContact OG-CE 3.25Å; S337-K419 PolarHBondContact OG-NZ 3.48Å; R338-K419 HydrophobicContact CB-CG 4.23Å; K419-G421 PolarHBondContact O-N 3.32Å; K419-I422 HydrophobicContact CB-CD1 3.81Å; K419-I422 HydrophobicContact CG-CD1 4.12Å; K419-I422 WeakPolarHBondContact O-CB 3.36Å; K419-I422 WeakPolarHBondContact O-CG1 3.32Å; K419-I422 PolarHBondContact O-N 2.8Å
420	I	93.3	Very high	92.8	Very high	108 Å²	108	39 Å²	39	55%	0.554	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-40.9	-171.4	-57.3	173.1	0	0	0	110.8	I367 I422 P423	I367-I420 HydrophobicContact CD1-CG2 4.14Å; I420-I422 VanDerWaalsContact C-N 3.29Å; I420-I422 PolarHBondContact O-N 2.89Å; I420-P423 VanDerWaalsContact O-CD 3.32Å; I420-P423 WeakPolarHBondContact O-CD 3.33Å; I420-P423 WeakPolarHBondContact O-CG 3.29Å
421	G	92.5	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.9	177.5	0	0	0	0	0	115.7	K419 I424 V425	K419-G421 PolarHBondContact O-N 3.32Å; G421-I424 PolarHBondContact O-N 3.05Å; G421-V425 WeakPolarHBondContact O-CB 3.36Å; G421-V425 VanDerWaalsContact O-CG2 3.29Å; G421-V425 WeakPolarHBondContact O-CG2 3.34Å; G421-V425 PolarHBondContact O-N 3.01Å
422	I	93.6	Very high	92.9	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-53.4	-177.5	-61.1	172.5	0	0	0	112.9	S337 I340 L416 K419 I420 I424 V425 L426 K475	S337-I422 WeakPolarHBondContact O-CD1 3.4Å; I340-I422 HydrophobicContact CD1-CG1 4.37Å; I340-I422 HydrophobicContact CD1-CG2 4.41Å; L416-I422 HydrophobicContact CD1-CG1 4.08Å; K419-I422 HydrophobicContact CB-CD1 3.81Å; K419-I422 HydrophobicContact CG-CD1 4.12Å; K419-I422 WeakPolarHBondContact O-CB 3.36Å; K419-I422 WeakPolarHBondContact O-CG1 3.32Å; K419-I422 PolarHBondContact O-N 2.8Å; I420-I422 VanDerWaalsContact C-N 3.29Å; I420-I422 PolarHBondContact O-N 2.89Å; I422-I424 VanDerWaalsContact C-N 3.34Å; I422-I424 PolarHBondContact O-N 2.81Å; I422-V425 PolarHBondContact O-N 2.78Å; I422-L426 HydrophobicContact CG2-CD1 3.69Å; I422-L426 HydrophobicContact CG2-CG 4.25Å; I422-L426 VanDerWaalsContact O-CG 3.26Å; I422-L426 WeakPolarHBondContact O-CG 3.35Å; I422-L426 PolarHBondContact O-N 2.83Å; I422-K475 HydrophobicContact CG2-CG 4.29Å
423	P	93.2	Very high	92.8	Very high	84 Å²	84	37.5 Å²	37.5	55%	0.545	21%	0.213	S	C	.	.	H	α-helix	trans	-55.4	-45.6	178.3	19.3	-33.5	0	0	0	113.1	I420 V425 L426 S427	I420-P423 VanDerWaalsContact O-CD 3.32Å; I420-P423 WeakPolarHBondContact O-CD 3.33Å; I420-P423 WeakPolarHBondContact O-CG 3.29Å; P423-V425 PolarHBondContact O-N 2.86Å; P423-L426 PolarHBondContact O-N 2.83Å; P423-S427 PolarHBondContact O-N 2.97Å; P423-S427 PolarHBondContact O-OG 2.95Å
424	I	93.5	Very high	92.5	Very high	34 Å²	34	35.8 Å²	35.8	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-43.4	179.4	-75.9	155.5	0	0	0	111.9	V361 L362 N365 I367 G421 I422 L426 S427	V361-I424 HydrophobicContact CG1-CG2 4.04Å; L362-I424 HydrophobicContact CD2-CG2 4.29Å; N365-I424 HydrophobicContact CB-CD1 3.88Å; N365-I424 HydrophobicContact CB-CG1 4.16Å; N365-I424 HydrophobicContact CB-CG2 3.81Å; I367-I424 HydrophobicContact CD1-CD1 3.37Å; I367-I424 HydrophobicContact CG1-CD1 4.14Å; G421-I424 PolarHBondContact O-N 3.05Å; I422-I424 VanDerWaalsContact C-N 3.34Å; I422-I424 PolarHBondContact O-N 2.81Å; I424-L426 VanDerWaalsContact C-N 3.33Å; I424-L426 PolarHBondContact O-N 2.6Å; I424-S427 WeakPolarHBondContact O-CB 3.27Å; I424-S427 PolarHBondContact O-N 2.84Å
425	V	93.4	Very high	92	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.6	-27.7	-180	170.8	0	0	0	0	112	I340 F358 L362 L416 G421 I422 P423 S427 L428 V473	I340-V425 HydrophobicContact CD1-CB 3.83Å; I340-V425 HydrophobicContact CD1-CG1 3.46Å; I340-V425 VanDerWaalsContact CD1-CG1 3.46Å; I340-V425 HydrophobicContact CG2-CG1 4.37Å; F358-V425 HydrophobicContact CD1-CG1 3.42Å; F358-V425 VanDerWaalsContact CD1-CG1 3.42Å; F358-V425 HydrophobicContact CD1-CG2 4.29Å; F358-V425 HydrophobicContact CE1-CG1 3.2Å; F358-V425 HydrophobicContact CG-CG1 4.47Å; F358-V425 HydrophobicContact CZ-CG1 4.09Å; L362-V425 HydrophobicContact CD2-CG2 3.96Å; L362-V425 HydrophobicContact CG-CG2 4.19Å; L416-V425 HydrophobicContact CD1-CG2 4.3Å; G421-V425 WeakPolarHBondContact O-CB 3.36Å; G421-V425 VanDerWaalsContact O-CG2 3.29Å; G421-V425 WeakPolarHBondContact O-CG2 3.34Å; G421-V425 PolarHBondContact O-N 3.01Å; I422-V425 PolarHBondContact O-N 2.78Å; P423-V425 PolarHBondContact O-N 2.86Å; V425-S427 VanDerWaalsContact C-N 3.26Å; V425-S427 PolarHBondContact O-N 2.92Å; V425-L428 HydrophobicContact CG1-CD1 4.36Å; V425-L428 WeakPolarHBondContact O-CB 3.48Å; V425-L428 WeakPolarHBondContact O-CG 3.26Å; V425-L428 PolarHBondContact O-N 2.8Å; V425-V473 HydrophobicContact CG1-CG1 4.33Å
426	L	92.6	Very high	91.4	Very high	42 Å²	42	40.9 Å²	40.9	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-23.3	173.7	-71.3	165.7	0	0	0	112.9	I422 P423 I424 L428 N429 V473 K475	I422-L426 HydrophobicContact CG2-CD1 3.69Å; I422-L426 HydrophobicContact CG2-CG 4.25Å; I422-L426 VanDerWaalsContact O-CG 3.26Å; I422-L426 WeakPolarHBondContact O-CG 3.35Å; I422-L426 PolarHBondContact O-N 2.83Å; P423-L426 PolarHBondContact O-N 2.83Å; I424-L426 VanDerWaalsContact C-N 3.33Å; I424-L426 PolarHBondContact O-N 2.6Å; L426-L428 PolarHBondContact O-N 2.66Å; L426-L428 VanDerWaalsContact O-N 3.13Å; L426-N429 WeakPolarHBondContact O-CB 3.19Å; L426-N429 PolarHBondContact O-N 2.86Å; L426-N429 VanDerWaalsContact O-N 3.15Å; L426-V473 WeakPolarHBondContact CD2-O 3.47Å; L426-K475 HydrophobicContact CD1-CD 4.22Å; L426-K475 HydrophobicContact CD1-CG 3.8Å; L426-K475 HydrophobicContact CD2-CG 4.11Å
427	S	91.2	Very high	90.8	Very high	95 Å²	95	40.9 Å²	40.9	66%	0.664	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.7	171.6	-53.5	0	0	0	0	113.6	P423 I424 V425 N429	P423-S427 PolarHBondContact O-N 2.97Å; P423-S427 PolarHBondContact O-OG 2.95Å; I424-S427 WeakPolarHBondContact O-CB 3.27Å; I424-S427 PolarHBondContact O-N 2.84Å; V425-S427 VanDerWaalsContact C-N 3.26Å; V425-S427 PolarHBondContact O-N 2.92Å; S427-N429 VanDerWaalsContact C-N 3.31Å
428	L	90.9	Very high	90.4	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.063	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4	173.8	-59.4	172.7	0	0	0	114.1	L357 V361 V425 L426 G430 C431 V473	L357-L428 HydrophobicContact CD2-CD1 3.89Å; V361-L428 HydrophobicContact CB-CD1 4.12Å; V361-L428 HydrophobicContact CB-CD2 4.31Å; V361-L428 HydrophobicContact CG1-CD1 3.98Å; V361-L428 HydrophobicContact CG1-CD2 3.87Å; V361-L428 HydrophobicContact CG1-CG 4.05Å; V361-L428 HydrophobicContact CG2-CD1 3.88Å; V361-L428 HydrophobicContact CG2-CD2 3.6Å; V361-L428 HydrophobicContact CG2-CG 4.28Å; V425-L428 HydrophobicContact CG1-CD1 4.36Å; V425-L428 WeakPolarHBondContact O-CB 3.48Å; V425-L428 WeakPolarHBondContact O-CG 3.26Å; V425-L428 PolarHBondContact O-N 2.8Å; L426-L428 PolarHBondContact O-N 2.66Å; L426-L428 VanDerWaalsContact O-N 3.13Å; L428-G430 PolarHBondContact O-N 3.49Å; L428-C431 PolarHBondContact O-N 3.03Å; L428-V473 HydrophobicContact CB-CG2 4.14Å
429	N	91.5	Very high	90	Very high	29 Å²	29	45.3 Å²	45.3	16%	0.155	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	116.2	173.2	172.6	85.7	0	0	0	110	L426 S427 R472 V473 K515	L426-N429 WeakPolarHBondContact O-CB 3.19Å; L426-N429 PolarHBondContact O-N 2.86Å; L426-N429 VanDerWaalsContact O-N 3.15Å; S427-N429 VanDerWaalsContact C-N 3.31Å; N429-R472 WeakPolarHBondContact OD1-CA 3.34Å; N429-V473 HydrophobicContact CB-CB 4.03Å; N429-V473 PolarHBondContact OD1-N 3.28Å; N429-K515 PolarHBondContact ND2-O 3.06Å
430	G	86.7	Confident	89.6	Confident	28 Å²	28	41.3 Å²	41.3	29%	0.289	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-8.7	-176.1	0	0	0	0	0	114.2	L428 I471	L428-G430 PolarHBondContact O-N 3.49Å; G430-I471 PolarHBondContact N-O 3.14Å
431	C	89.5	Confident	88.8	Confident	34 Å²	34	40.5 Å²	40.5	23%	0.23	24%	0.235	C	C	.	.			trans	-64.3	140	176.7	-68.5	0	0	0	0	112	L428 I471	L428-C431 PolarHBondContact O-N 3.03Å; C431-I471 HydrophobicContact CB-CD1 4.43Å; C431-I471 WeakPolarHBondContact O-CG1 3.44Å; C431-I471 PolarHBondContact O-N 3.22Å
432	C	89.8	Confident	87.7	Confident	9 Å²	9	44 Å²	44	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.6	173.7	-62	0	0	0	0	110.9	I439 V440 V468 H470	C432-I439 WeakPolarHBondContact O-CA 3.43Å; C432-V440 PolarHBondContact O-N 3.2Å; C432-V440 VanDerWaalsContact O-N 3.17Å; C432-V468 HydrophobicContact CB-CG1 3.88Å; C432-H470 PolarHBondContact SG-NE2 2.58Å
433	L	90.6	Very high	86	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.8	165.6	-66	-178	0	0	0	111.3	L345 I349 L357 F438 I439 V468 Y469 I471	L345-L433 HydrophobicContact CD2-CD1 4.15Å; I349-L433 HydrophobicContact CD1-CD1 4.26Å; L357-L433 HydrophobicContact CD1-CD2 3.6Å; L433-F438 CarbonylContact C-O 3.56Å; L433-F438 VanDerWaalsContact CA-O 3.25Å; L433-F438 WeakPolarHBondContact CA-O 3.4Å; L433-F438 WeakPolarHBondContact CD2-O 3.39Å; L433-I439 HydrophobicContact CD2-CG1 4Å; L433-V468 CarbonylContact O-C 3.56Å; L433-V468 VanDerWaalsContact O-CA 3.3Å; L433-V468 WeakPolarHBondContact O-CA 3.29Å; L433-Y469 PolarHBondContact N-O 2.82Å; L433-Y469 PolarHBondContact O-N 3.19Å; L433-I471 HydrophobicContact CD1-CD1 3.61Å; L433-I471 HydrophobicContact CD1-CG1 3.6Å; L433-I471 HydrophobicContact CD2-CD1 3.94Å; L433-I471 HydrophobicContact CD2-CG1 4.46Å; L433-I471 HydrophobicContact CG-CD1 3.61Å; L433-I471 HydrophobicContact CG-CG1 3.61Å
434	N	88.5	Confident	84.1	Confident	45 Å²	45	52.3 Å²	52.3	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	168.4	157.2	64	20.1	0	0	0	111.7	N436 G437 F438 V440 D467	N434-N436 PolarHBondContact O-N 3.37Å; N434-N436 WeakPolarHBondContact OD1-CA 2.99Å; N434-N436 WeakPolarHBondContact OD1-CB 3.34Å; N434-N436 PolarHBondContact OD1-N 3.49Å; N434-G437 PolarHBondContact O-N 2.82Å; N434-G437 PolarHBondContact OD1-N 2.99Å; N434-G437 VanDerWaalsContact OD1-N 3.09Å; N434-F438 PolarHBondContact N-O 3.11Å; N434-F438 PolarHBondContact OD1-N 3.06Å; N434-V440 HydrophobicContact CB-CG2 3.81Å; N434-D467 CarbonylContact C-O 3.48Å
435	S	85	Confident	82.1	Confident	27 Å²	27	52.9 Å²	52.9	19%	0.189	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-28.5	172.8	57.7	0	0	0	0	115.1	P346 D467	P346-S435 WeakPolarHBondContact CB-O 3.47Å; S435-D467 PolarHBondContact N-O 3.37Å; S435-D467 VanDerWaalsContact N-O 3.12Å
436	N	85.1	Confident	80.1	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.4	176.7	-69.9	-38.9	0	0	0	114.2	N434 F438	N434-N436 PolarHBondContact O-N 3.37Å; N434-N436 WeakPolarHBondContact OD1-CA 2.99Å; N434-N436 WeakPolarHBondContact OD1-CB 3.34Å; N434-N436 PolarHBondContact OD1-N 3.49Å; N436-F438 HydrophobicContact CB-CD2 3.82Å; N436-F438 HydrophobicContact CB-CE2 4.04Å
437	G	83.5	Confident	77.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	76.5	27.7	179.8	0	0	0	0	0	114.6	R353 N434	R353-G437 VanDerWaalsContact CZ-O 3.32Å; R353-G437 PolarHBondContact NE-O 2.79Å; R353-G437 PolarHBondContact NH2-O 2.88Å; N434-G437 PolarHBondContact O-N 2.82Å; N434-G437 PolarHBondContact OD1-N 2.99Å; N434-G437 VanDerWaalsContact OD1-N 3.09Å
438	F	86	Confident	75.3	Confident	105 Å²	105	62.8 Å²	62.8	46%	0.461	34%	0.343	S	S	.	.			trans	-90	142.5	164.4	-66	-110.5	0	0	0	109.3	R353 L433 N434 N436	R353-F438 VanDerWaalsContact NH1-CE1 3.27Å; R353-F438 VanDerWaalsContact NH2-CD1 3.26Å; L433-F438 CarbonylContact C-O 3.56Å; L433-F438 VanDerWaalsContact CA-O 3.25Å; L433-F438 WeakPolarHBondContact CA-O 3.4Å; L433-F438 WeakPolarHBondContact CD2-O 3.39Å; N434-F438 PolarHBondContact N-O 3.11Å; N434-F438 PolarHBondContact OD1-N 3.06Å; N436-F438 HydrophobicContact CB-CD2 3.82Å; N436-F438 HydrophobicContact CB-CE2 4.04Å
439	I	86.9	Confident	73.1	Confident	82 Å²	82	68.8 Å²	68.8	42%	0.421	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-68.5	133.4	170.4	-58.4	174	0	0	0	106.9	L357 C432 L433	L357-I439 HydrophobicContact CD1-CD1 4.23Å; L357-I439 HydrophobicContact CD1-CG1 3.86Å; L357-I439 HydrophobicContact CG-CD1 4.28Å; L357-I439 HydrophobicContact CG-CG1 4.43Å; C432-I439 WeakPolarHBondContact O-CA 3.43Å; L433-I439 HydrophobicContact CD2-CG1 4Å
440	V	84.8	Confident	70.6	Confident	26 Å²	26	74.6 Å²	74.6	16%	0.158	41%	0.405	C	S	.	.			trans	-117.2	144.3	178.1	-177	0	0	0	0	107.1	C432 N434 E444	C432-V440 PolarHBondContact O-N 3.2Å; C432-V440 VanDerWaalsContact O-N 3.17Å; N434-V440 HydrophobicContact CB-CG2 3.81Å; V440-E444 HydrophobicContact CG1-CB 4Å; V440-E444 WeakPolarHBondContact CG1-OE2 3.5Å
441	N	77.2	Confident	68.4	Low	92 Å²	92	80.1 Å²	80.1	49%	0.492	43%	0.428	S	S	.	.			trans	-74.5	141.7	174.5	-63.1	-52.7	0	0	0	109.3	E443 E444	N441-E443 PolarHBondContact O-N 3.42Å; N441-E444 HydrophobicContact CB-CG 4.01Å; N441-E444 PolarHBondContact N-OE2 3.13Å; N441-E444 PolarHBondContact ND2-OE1 3.15Å; N441-E444 WeakPolarHBondContact O-CB 3.25Å; N441-E444 PolarHBondContact O-N 3.48Å; N441-E444 VanDerWaalsContact O-N 3.1Å
442	P	68	Low	66.1	Low	72 Å²	72	88.7 Å²	88.7	47%	0.468	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-58.4	-37.7	-176	23	-33	0	0	0	112.1	E444 S445	P442-E444 VanDerWaalsContact C-N 3.33Å; P442-E444 PolarHBondContact O-N 3.26Å; P442-S445 PolarHBondContact O-N 3.43Å; P442-S445 VanDerWaalsContact O-N 3.17Å; P442-S445 PolarHBondContact O-OG 3.06Å
443	E	59.1	Low	63.8	Low	153 Å²	153	93.4 Å²	93.4	72%	0.715	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33.5	178.7	-67.6	163.7	-156.4	0	0	113.2	N441 S445 I446	N441-E443 PolarHBondContact O-N 3.42Å; E443-S445 PolarHBondContact O-N 2.85Å; E443-S445 VanDerWaalsContact O-N 3.14Å; E443-I446 PolarHBondContact O-N 3.31Å
444	E	52.9	Low	61.1	Low	124 Å²	124	102.9 Å²	102.9	58%	0.579	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-66.2	-14.6	177.4	-68.2	163.5	-175.7	0	0	113.1	V440 N441 P442	V440-E444 HydrophobicContact CG1-CB 4Å; V440-E444 WeakPolarHBondContact CG1-OE2 3.5Å; N441-E444 HydrophobicContact CB-CG 4.01Å; N441-E444 PolarHBondContact N-OE2 3.13Å; N441-E444 PolarHBondContact ND2-OE1 3.15Å; N441-E444 WeakPolarHBondContact O-CB 3.25Å; N441-E444 PolarHBondContact O-N 3.48Å; N441-E444 VanDerWaalsContact O-N 3.1Å; P442-E444 VanDerWaalsContact C-N 3.33Å; P442-E444 PolarHBondContact O-N 3.26Å
445	S	51.4	Low	58.9	Low	45 Å²	45	106.3 Å²	106.3	32%	0.315	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-100.1	-6.6	-174.3	70.5	0	0	0	0	115.6	P442 E443	P442-S445 PolarHBondContact O-N 3.43Å; P442-S445 VanDerWaalsContact O-N 3.17Å; P442-S445 PolarHBondContact O-OG 3.06Å; E443-S445 PolarHBondContact O-N 2.85Å; E443-S445 VanDerWaalsContact O-N 3.14Å
446	I	51.3	Low	57	Low	110 Å²	110	112.2 Å²	112.2	56%	0.564	59%	0.589	S	S	*	*	S	Bend	trans	-88.9	-24.6	-167.7	-66.8	171.8	0	0	0	112.9	E443 V448	E443-I446 PolarHBondContact O-N 3.31Å; I446-V448 PolarHBondContact O-N 3.36Å
447	N	40.3	Very low	55	Low	149 Å²	149	114.2 Å²	114.2	80%	0.797	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	40.5	-167.6	-60.6	-11.9	0	0	0	115.5
448	V	43.1	Very low	52.8	Low	87 Å²	87	120.9 Å²	120.9	53%	0.527	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.8	-10.5	-171.4	-172	0	0	0	0	114.5	I446	I446-V448 PolarHBondContact O-N 3.36Å
449	I	43.2	Very low	50.4	Low	137 Å²	137	121.8 Å²	121.8	70%	0.703	66%	0.655	S	S	*	*	S	Bend	trans	-105.8	-32.6	-163.7	-65.3	-178.1	0	0	0	115.6
450	D	40.6	Very low	47.8	Very low	152 Å²	152	123.8 Å²	123.8	81%	0.813	68%	0.676	S	S	*	*	S	Bend	trans	-103	-16.3	-163.6	-69.5	-43.8	0	0	0	116.8
451	D	39.2	Very low	45.5	Very low	144 Å²	144	127 Å²	127	77%	0.77	70%	0.7	S	S	*	*			trans	-98.5	106.9	-174.8	-92.4	-55.7	0	0	0	114.7	T453	D451-T453 VanDerWaalsContact C-N 3.33Å; D451-T453 PolarHBondContact O-N 2.94Å
452	K	40.9	Very low	43.4	Very low	214 Å²	214	130.6 Å²	130.6	93%	0.93	72%	0.719	S	S	*	*			trans	-85.6	67	163.2	-70.8	-177.8	178.7	175.9	0	111.1
453	T	41.5	Very low	42.2	Very low	107 Å²	107	132.5 Å²	132.5	66%	0.656	73%	0.725	S	S	*	*			trans	-131.5	134.9	168.8	51.4	0	0	0	0	112	D451	D451-T453 VanDerWaalsContact C-N 3.33Å; D451-T453 PolarHBondContact O-N 2.94Å
454	E	34.3	Very low	41.4	Very low	201 Å²	201	131 Å²	131	94%	0.939	72%	0.722	S	S	*	*			trans	-82.4	120.1	179.5	-60.9	176.9	147.8	0	0	109.5
455	S	42.9	Very low	41.2	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	72%	0.723	S	S	*	*			trans	-142.2	136.5	163	60	0	0	0	0	111.3
456	I	44	Very low	41.5	Very low	151 Å²	151	133.1 Å²	133.1	77%	0.774	74%	0.738	S	S	*	*			trans	-103.4	128.5	-168.5	-58.7	160.2	0	0	0	107.7
457	N	43.1	Very low	42.7	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	73%	0.728	S	S	*	*			trans	158.7	139.4	132.2	-87.7	-61.4	0	0	0	115
458	N	37.8	Very low	44.9	Very low	141 Å²	141	125.4 Å²	125.4	75%	0.754	70%	0.699	S	S	*	*			trans	56.2	87.8	141.4	-56.6	-22.6	0	0	0	121.1
459	S	36.1	Very low	47.2	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	68%	0.681	S	S	*	*				-169.8	124.8	114.4	-84	0	0	0	0	112.6	S461	S459-S461 PolarHBondContact O-N 3.49Å
460	S	31.2	Very low	49.5	Very low	124 Å²	124	118 Å²	118	87%	0.867	65%	0.654	S	S	*	*			trans	-78.3	102.6	178.3	-62.3	0	0	0	0	112.2
461	S	37.6	Very low	52	Low	94 Å²	94	111 Å²	111	66%	0.657	62%	0.616	S	S	*	*			trans	-153.1	112.7	158.5	-81.8	0	0	0	0	109.4	S459 N463	S459-S461 PolarHBondContact O-N 3.49Å; S461-N463 PolarHBondContact O-N 3.26Å
462	N	33.2	Very low	54.5	Low	167 Å²	167	105.7 Å²	105.7	89%	0.893	59%	0.585	S	S	*	*			trans	-75.7	64.4	-173.4	-66.7	-5.7	0	0	0	112.2
463	N	41.7	Very low	56.9	Low	112 Å²	112	95.7 Å²	95.7	60%	0.599	54%	0.542	S	S	*	.			trans	-81.7	116.8	162.3	-68.7	-39.1	0	0	0	107.8	S461 T465	S461-N463 PolarHBondContact O-N 3.26Å; N463-T465 VanDerWaalsContact C-N 3.28Å; N463-T465 HydrophobicContact CB-CG2 4.43Å; N463-T465 PolarHBondContact O-N 3.24Å
464	N	43.3	Very low	59.3	Low	122 Å²	122	91.2 Å²	91.2	65%	0.652	51%	0.514	S	S	*	.			trans	-68.9	93.5	161.4	-73.8	5.6	0	0	0	107.2	N466	N464-N466 PolarHBondContact O-N 3.06Å
465	T	47.9	Very low	62	Low	99 Å²	99	85.9 Å²	85.9	61%	0.607	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.3	-172	40.5	0	0	0	0	114.8	N463	N463-T465 VanDerWaalsContact C-N 3.28Å; N463-T465 HydrophobicContact CB-CG2 4.43Å; N463-T465 PolarHBondContact O-N 3.24Å
466	N	58	Low	64.3	Low	115 Å²	115	81.5 Å²	81.5	62%	0.615	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-7.2	-163.5	-54.3	6.5	0	0	0	113.1	N464 V468	N464-N466 PolarHBondContact O-N 3.06Å; N466-V468 PolarHBondContact O-N 2.83Å
467	D	75.9	Confident	66.3	Low	69 Å²	69	77.4 Å²	77.4	37%	0.369	44%	0.441	S	S	.	.			trans	-91.9	70.6	-178.1	-73.4	-29.6	0	0	0	111.8	N434 S435 Y469	N434-D467 CarbonylContact C-O 3.48Å; S435-D467 PolarHBondContact N-O 3.37Å; S435-D467 VanDerWaalsContact N-O 3.12Å; D467-Y469 HydrophobicContact CB-CE2 3.98Å; D467-Y469 WeakPolarHBondContact O-CE2 3.29Å
468	V	87.7	Confident	67.8	Low	28 Å²	28	74.1 Å²	74.1	17%	0.17	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146.8	167.5	-179.2	0	0	0	0	110	C432 L433 N466 E502	C432-V468 HydrophobicContact CB-CG1 3.88Å; L433-V468 CarbonylContact O-C 3.56Å; L433-V468 VanDerWaalsContact O-CA 3.3Å; L433-V468 WeakPolarHBondContact O-CA 3.29Å; N466-V468 PolarHBondContact O-N 2.83Å; V468-E502 VanDerWaalsContact O-CG 3.28Å; V468-E502 WeakPolarHBondContact O-CG 3.38Å
469	Y	90.7	Very high	69	Low	38 Å²	38	72.8 Å²	72.8	15%	0.149	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.6	180	-60.9	-90.8	0	0	0	111.9	P346 L433 D467 I471	P346-Y469 HydrophobicContact CB-CD2 4.21Å; P346-Y469 HydrophobicContact CB-CE2 3.97Å; P346-Y469 HydrophobicContact CG-CD2 3.65Å; P346-Y469 HydrophobicContact CG-CE2 3.93Å; P346-Y469 HydrophobicContact CG-CG 4.14Å; L433-Y469 PolarHBondContact N-O 2.82Å; L433-Y469 PolarHBondContact O-N 3.19Å; D467-Y469 HydrophobicContact CB-CE2 3.98Å; D467-Y469 WeakPolarHBondContact O-CE2 3.29Å; Y469-I471 PolarHBondContact O-N 3.43Å
470	H	91.5	Very high	70.1	Confident	30 Å²	30	71.9 Å²	71.9	14%	0.139	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	111.6	174.5	-68.7	79.2	0	0	0	111.3	N344 C432 E502 Y505	N344-H470 WeakPolarHBondContact CB-O 3.38Å; N344-H470 PolarHBondContact ND2-O 3.12Å; C432-H470 PolarHBondContact SG-NE2 2.58Å; H470-E502 IonicContact CE1-OE2 3.37Å; H470-E502 IonicContact CG-OE2 4Å; H470-E502 PolarHBondContact N-OE1 3.24Å; H470-E502 PolarHBondContact N-OE2 3.25Å; H470-E502 VanDerWaalsContact N-OE2 3.1Å; H470-E502 IonicContact ND1-OE2 2.91Å; H470-E502 PolarHBondContact ND1-OE2 3.11Å; H470-Y505 HydrophobicContact CB-CD2 4.44Å; H470-Y505 AromaticContact CD2-CD2 3.8Å; H470-Y505 AromaticContact CD2-CE2 3.44Å; H470-Y505 VanDerWaalsContact CD2-CE2 3.44Å; H470-Y505 WeakPolarHBondContact CD2-CE2 3.35Å; H470-Y505 AromaticContact CD2-CZ 3.56Å; H470-Y505 AromaticContact CE1-CD1 3.48Å; H470-Y505 VanDerWaalsContact CE1-CD1 3.48Å; H470-Y505 WeakPolarHBondContact CE1-CD1 3.5Å; H470-Y505 AromaticContact CE1-CE1 3.6Å; H470-Y505 AromaticContact CE1-CG 3.76Å; H470-Y505 AromaticContact CE1-CZ 3.96Å; H470-Y505 AromaticContact CG-CD2 3.84Å; H470-Y505 AromaticContact CG-CE2 3.97Å; H470-Y505 AromaticContact ND1-CG 3.86Å; H470-Y505 AromaticContact NE2-CD1 3.65Å; H470-Y505 AromaticContact NE2-CD2 3.96Å; H470-Y505 AromaticContact NE2-CE1 3.27Å; H470-Y505 VanDerWaalsContact NE2-CE1 3.27Å; H470-Y505 WeakPolarHBondContact NE2-CE1 3.32Å; H470-Y505 AromaticContact NE2-CE2 3.61Å; H470-Y505 AromaticContact NE2-CG 3.99Å; H470-Y505 AromaticContact NE2-CZ 3.24Å
471	I	92.4	Very high	71.3	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	39%	0.387	C	S	.	.			trans	-70.1	135.9	-178.6	-40.2	169.5	0	0	0	110.7	V342 G343 L345 G430 C431 L433 Y469 V473	V342-I471 HydrophobicContact CG1-CG2 3.54Å; G343-I471 WeakPolarHBondContact O-CG2 3.29Å; L345-I471 HydrophobicContact CD2-CG2 4.28Å; G430-I471 PolarHBondContact N-O 3.14Å; C431-I471 HydrophobicContact CB-CD1 4.43Å; C431-I471 WeakPolarHBondContact O-CG1 3.44Å; C431-I471 PolarHBondContact O-N 3.22Å; L433-I471 HydrophobicContact CD1-CD1 3.61Å; L433-I471 HydrophobicContact CD1-CG1 3.6Å; L433-I471 HydrophobicContact CD2-CD1 3.94Å; L433-I471 HydrophobicContact CD2-CG1 4.46Å; L433-I471 HydrophobicContact CG-CD1 3.61Å; L433-I471 HydrophobicContact CG-CG1 3.61Å; Y469-I471 PolarHBondContact O-N 3.43Å; I471-V473 HydrophobicContact CB-CG2 4.22Å; I471-V473 HydrophobicContact CG2-CG2 3.59Å
472	R	91.8	Very high	72.1	Confident	32 Å²	32	70 Å²	70	12%	0.121	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.5	162.6	176.9	163.5	65	88.6	4.4	111	V342 G343 N429 D474	V342-R472 CarbonylContact C-O 3.59Å; V342-R472 WeakPolarHBondContact CA-O 3.43Å; G343-R472 PolarHBondContact N-O 3.07Å; G343-R472 PolarHBondContact O-N 2.91Å; G343-R472 VanDerWaalsContact O-N 3.1Å; N429-R472 WeakPolarHBondContact OD1-CA 3.34Å; R472-D474 WeakPolarHBondContact CG-OD1 3.38Å; R472-D474 IonicContact CZ-OD2 3.67Å; R472-D474 IonicContact NH1-OD1 3.53Å; R472-D474 IonicContact NH1-OD2 2.99Å; R472-D474 PolarHBondContact NH1-OD2 3.39Å
473	V	92.8	Very high	73.1	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.7	-174	-170.6	0	0	0	0	111.1	I340 F341 V425 L426 L428 N429 I471	I340-V473 HydrophobicContact CG2-CG1 3.49Å; I340-V473 VanDerWaalsContact CG2-CG1 3.49Å; F341-V473 WeakPolarHBondContact O-CA 3.37Å; V425-V473 HydrophobicContact CG1-CG1 4.33Å; L426-V473 WeakPolarHBondContact CD2-O 3.47Å; L428-V473 HydrophobicContact CB-CG2 4.14Å; N429-V473 HydrophobicContact CB-CB 4.03Å; N429-V473 PolarHBondContact OD1-N 3.28Å; I471-V473 HydrophobicContact CB-CG2 4.22Å; I471-V473 HydrophobicContact CG2-CG2 3.59Å
474	D	91.4	Very high	73.7	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.064	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	161.2	-170.1	-48.8	9.4	0	0	0	111.1	I340 F341 R472 H483	I340-D474 CarbonylContact C-O 3.48Å; I340-D474 WeakPolarHBondContact CA-O 3.48Å; I340-D474 WeakPolarHBondContact CG2-O 3.38Å; F341-D474 HydrophobicContact CB-CB 4.24Å; F341-D474 HydrophobicContact CD1-CB 4.17Å; F341-D474 PolarHBondContact N-O 3.17Å; F341-D474 PolarHBondContact O-N 3.22Å; R472-D474 WeakPolarHBondContact CG-OD1 3.38Å; R472-D474 IonicContact CZ-OD2 3.67Å; R472-D474 IonicContact NH1-OD1 3.53Å; R472-D474 IonicContact NH1-OD2 2.99Å; R472-D474 PolarHBondContact NH1-OD2 3.39Å; D474-H483 IonicContact OD1-CD2 3.98Å; D474-H483 PolarHBondContact OD1-CD2 2.86Å; D474-H483 IonicContact OD2-CD2 2.75Å; D474-H483 PolarHBondContact OD2-CD2 3.27Å; D474-H483 IonicContact OD2-CG 3.23Å
475	K	92	Very high	74.3	Confident	90 Å²	90	59.2 Å²	59.2	39%	0.391	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.5	167.6	-57.5	176.1	-168.2	160.8	0	110.2	I422 L426 T477 D478	I422-K475 HydrophobicContact CG2-CG 4.29Å; L426-K475 HydrophobicContact CD1-CD 4.22Å; L426-K475 HydrophobicContact CD1-CG 3.8Å; L426-K475 HydrophobicContact CD2-CG 4.11Å; K475-T477 PolarHBondContact O-N 2.91Å; K475-D478 HydrophobicContact CB-CB 4.05Å; K475-D478 WeakPolarHBondContact O-CB 3.47Å; K475-D478 PolarHBondContact O-N 2.69Å
476	A	89.9	Confident	75	Confident	24 Å²	24	58.6 Å²	58.6	20%	0.198	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.6	179.4	0	0	0	0	0	114.2	T339 Y413 D478	T339-A476 HydrophobicContact CG2-CB 3.66Å; T339-A476 WeakPolarHBondContact O-CB 3.47Å; T339-A476 PolarHBondContact O-N 3.29Å; Y413-A476 HydrophobicContact CD1-CB 3.89Å; Y413-A476 HydrophobicContact CE1-CB 3.85Å; A476-D478 VanDerWaalsContact C-N 3.29Å
477	T	85.6	Confident	75.7	Confident	64 Å²	64	60 Å²	60	39%	0.393	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.7	167.3	47.3	0	0	0	0	112.5	K475 N479	K475-T477 PolarHBondContact O-N 2.91Å; T477-N479 PolarHBondContact O-N 2.7Å; T477-N479 PolarHBondContact O-ND2 2.83Å
478	D	75	Confident	76.2	Confident	62 Å²	62	58.7 Å²	58.7	33%	0.332	30%	0.298	S	S	.	.	S	Bend	trans	-90.5	70.1	-165.6	-66.6	17.9	0	0	0	107.8	K475 A476 D480 T482	K475-D478 HydrophobicContact CB-CB 4.05Å; K475-D478 WeakPolarHBondContact O-CB 3.47Å; K475-D478 PolarHBondContact O-N 2.69Å; A476-D478 VanDerWaalsContact C-N 3.29Å; D478-D480 PolarHBondContact O-N 2.95Å; D478-T482 HydrophobicContact CB-CG2 4.38Å; D478-T482 WeakPolarHBondContact CB-OG1 3.48Å; D478-T482 PolarHBondContact O-OG1 2.74Å
479	N	63.7	Low	76.4	Confident	113 Å²	113	57.6 Å²	57.6	60%	0.604	29%	0.292	S	S	*	.			trans	-39.8	137.1	173.8	-74.8	-107.8	0	0	0	110.8	T477 K481 T482	T477-N479 PolarHBondContact O-N 2.7Å; T477-N479 PolarHBondContact O-ND2 2.83Å; N479-K481 WeakPolarHBondContact O-CA 2.91Å; N479-K481 PolarHBondContact O-N 2.89Å; N479-T482 PolarHBondContact O-N 3.3Å; N479-T482 PolarHBondContact O-OG1 3.17Å; N479-T482 VanDerWaalsContact O-OG1 3.05Å
480	D	58	Low	76.5	Confident	105 Å²	105	55.8 Å²	55.8	56%	0.561	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-17	-16.2	169.7	-80.2	-30.8	0	0	0	121.3	D478 R518	D478-D480 PolarHBondContact O-N 2.95Å; D480-R518 PolarHBondContact O-NH1 3.47Å; D480-R518 IonicContact OD1-CZ 3.17Å; D480-R518 IonicContact OD1-NE 3.86Å; D480-R518 IonicContact OD1-NH2 3.99Å; D480-R518 PolarHBondContact OD1-NH2 2.78Å; D480-R518 IonicContact OD2-NH2 2.71Å
481	K	57.7	Low	76.6	Confident	128 Å²	128	56.8 Å²	56.8	56%	0.557	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-12.4	176.3	-56.8	167.3	-179.7	172.3	0	114	N479 K485 I569	N479-K481 WeakPolarHBondContact O-CA 2.91Å; N479-K481 PolarHBondContact O-N 2.89Å; K481-K485 WeakPolarHBondContact O-CB 3.34Å; K481-K485 WeakPolarHBondContact O-CD 3.33Å; K481-K485 WeakPolarHBondContact O-CG 3.42Å; K481-I569 HydrophobicContact CD-CD1 4.13Å
482	T	54.4	Low	76.8	Confident	50 Å²	50	56.6 Å²	56.6	31%	0.307	29%	0.288	S	S	.	.	S	Bend	trans	-93.2	-41.2	179.9	47.1	0	0	0	0	112.7	D478 N479 C484 K485	D478-T482 HydrophobicContact CB-CG2 4.38Å; D478-T482 WeakPolarHBondContact CB-OG1 3.48Å; D478-T482 PolarHBondContact O-OG1 2.74Å; N479-T482 PolarHBondContact O-N 3.3Å; N479-T482 PolarHBondContact O-OG1 3.17Å; N479-T482 VanDerWaalsContact O-OG1 3.05Å; T482-C484 PolarHBondContact O-N 2.86Å; T482-C484 VanDerWaalsContact O-N 3.13Å; T482-K485 WeakPolarHBondContact O-CB 3.48Å; T482-K485 PolarHBondContact O-N 3.43Å
483	H	54.7	Low	76.9	Confident	39 Å²	39	55.2 Å²	55.2	18%	0.181	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22	-173.8	-145.6	-64.8	0	0	0	114.4	D474 S516	D474-H483 IonicContact OD1-CD2 3.98Å; D474-H483 PolarHBondContact OD1-CD2 2.86Å; D474-H483 IonicContact OD2-CD2 2.75Å; D474-H483 PolarHBondContact OD2-CD2 3.27Å; D474-H483 IonicContact OD2-CG 3.23Å; H483-S516 PolarHBondContact CE1-OG 3.23Å; H483-S516 PolarHBondContact ND1-OG 2.95Å; H483-S516 WeakPolarHBondContact NE2-CB 3.25Å; H483-S516 PolarHBondContact NE2-OG 3.26Å
484	C	53.8	Low	77	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.014	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.7	177.2	-50.4	0	0	0	0	112.1	T482 R518 Y564	T482-C484 PolarHBondContact O-N 2.86Å; T482-C484 VanDerWaalsContact O-N 3.13Å; C484-R518 PolarHBondContact SG-NH1 2.98Å; C484-Y564 HydrophobicContact CB-CD2 4.06Å; C484-Y564 HydrophobicContact CB-CE1 4.26Å; C484-Y564 HydrophobicContact CB-CE2 3.51Å; C484-Y564 WeakPolarHBondContact O-CD1 3.34Å; C484-Y564 WeakPolarHBondContact O-CE1 3.23Å; C484-Y564 VanDerWaalsContact O-CZ 3.23Å
485	K	56.3	Low	77.2	Confident	133 Å²	133	58.2 Å²	58.2	58%	0.578	30%	0.3	S	S	*	.			trans	-98	6	-167.1	-136.7	-170	-157.2	-171.5	0	114.1	K481 T482	K481-K485 WeakPolarHBondContact O-CB 3.34Å; K481-K485 WeakPolarHBondContact O-CD 3.33Å; K481-K485 WeakPolarHBondContact O-CG 3.42Å; T482-K485 WeakPolarHBondContact O-CB 3.48Å; T482-K485 PolarHBondContact O-N 3.43Å
486	L	62.5	Low	77.3	Confident	86 Å²	86	54.6 Å²	54.6	45%	0.45	29%	0.285	S	S	.	.	S	Bend	trans	-94.3	149.8	175	-62.4	87	0	0	0	108.9	N488 C489	L486-N488 HydrophobicContact CB-CB 4.49Å; L486-N488 PolarHBondContact O-N 3.36Å; L486-N488 VanDerWaalsContact O-N 3.11Å; L486-C489 WeakPolarHBondContact O-CB 3.36Å; L486-C489 PolarHBondContact O-N 3.1Å; L486-C489 PolarHBondContact O-SG 3.13Å
487	D	72	Confident	77.4	Confident	145 Å²	145	60.1 Å²	60.1	78%	0.775	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	177.9	-50.6	-64.2	0	0	0	112.1	C489 I542	D487-C489 PolarHBondContact O-N 3.38Å; D487-I542 WeakPolarHBondContact O-CD1 3.21Å
488	N	87.3	Confident	77.6	Confident	41 Å²	41	62.3 Å²	62.3	22%	0.219	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	9.3	173.6	-45.9	48.8	0	0	0	114.3	L486 Y536 N537	L486-N488 HydrophobicContact CB-CB 4.49Å; L486-N488 PolarHBondContact O-N 3.36Å; L486-N488 VanDerWaalsContact O-N 3.11Å; N488-Y536 PolarHBondContact O-N 2.97Å; N488-N537 PolarHBondContact ND2-O 2.98Å
489	C	90.6	Very high	78.3	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.3	-170.9	-62.1	0	0	0	0	114.2	L486 D487 Y564	L486-C489 WeakPolarHBondContact O-CB 3.36Å; L486-C489 PolarHBondContact O-N 3.1Å; L486-C489 PolarHBondContact O-SG 3.13Å; D487-C489 PolarHBondContact O-N 3.38Å; C489-Y564 HydrophobicContact CB-CD1 4.49Å; C489-Y564 HydrophobicContact CB-CG 4.09Å; C489-Y564 WeakPolarHBondContact O-CB 3.48Å; C489-Y564 PolarHBondContact O-N 2.95Å
490	V	93.6	Very high	79.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.8	-178.2	-169	0	0	0	0	110.6	Y533 V534 Y536 I542 I561 M562	V490-Y533 WeakPolarHBondContact O-CA 3.34Å; V490-V534 PolarHBondContact N-O 3.18Å; V490-V534 PolarHBondContact O-N 2.99Å; V490-Y536 HydrophobicContact CB-CE2 4.43Å; V490-Y536 HydrophobicContact CG2-CD2 3.86Å; V490-Y536 HydrophobicContact CG2-CE2 3.74Å; V490-I542 HydrophobicContact CG2-CB 4.21Å; V490-I542 HydrophobicContact CG2-CD1 4.2Å; V490-I542 HydrophobicContact CG2-CG1 3.65Å; V490-I542 HydrophobicContact CG2-CG2 3.94Å; V490-I561 HydrophobicContact CG1-CG2 3.31Å; V490-M562 VanDerWaalsContact CG1-O 3.25Å; V490-M562 WeakPolarHBondContact CG1-O 3.41Å
491	F	94.1	Very high	81.2	Confident	50 Å²	50	51.1 Å²	51.1	22%	0.219	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.6	169.6	170.4	-94.2	0	0	0	110.1	F531 Y533 I561 M562	F491-F531 HydrophobicContact CD2-CD2 4.48Å; F491-F531 HydrophobicContact CE2-CB 3.81Å; F491-F531 AromaticContact CE2-CD2 3.64Å; F491-F531 HydrophobicContact CE2-CD2 3.64Å; F491-F531 HydrophobicContact CE2-CE2 4.46Å; F491-F531 AromaticContact CE2-CG 3.94Å; F491-F531 HydrophobicContact CE2-CG 3.94Å; F491-F531 HydrophobicContact CZ-CB 3.86Å; F491-F531 HydrophobicContact CZ-CD2 4.44Å; F491-F531 HydrophobicContact CZ-CG 4.3Å; F491-Y533 HydrophobicContact CB-CD1 4.32Å; F491-Y533 HydrophobicContact CB-CE1 4.24Å; F491-Y533 HydrophobicContact CD2-CD1 4.25Å; F491-Y533 AromaticContact CD2-CE1 3.69Å; F491-Y533 HydrophobicContact CD2-CE1 3.69Å; F491-Y533 HydrophobicContact CG-CE1 4.46Å; F491-I561 WeakPolarHBondContact O-CA 3.29Å; F491-M562 HydrophobicContact CB-CB 4.47Å; F491-M562 HydrophobicContact CD1-CB 4.13Å; F491-M562 HydrophobicContact CD1-CG 4.39Å; F491-M562 PolarHBondContact N-O 3.2Å; F491-M562 PolarHBondContact O-N 3.2Å
492	V	95	Very high	82.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.8	180	-171.2	0	0	0	0	108.2	L495 L508 F531 G532 V534 I559	V492-L495 HydrophobicContact CB-CD1 4.44Å; V492-L495 HydrophobicContact CG1-CD1 3.97Å; V492-L495 HydrophobicContact CG1-CD2 3.93Å; V492-L495 HydrophobicContact CG1-CG 4.15Å; V492-L508 HydrophobicContact CG2-CD1 4.03Å; V492-F531 CarbonylContact O-C 3.51Å; V492-F531 WeakPolarHBondContact O-CA 3.03Å; V492-F531 WeakPolarHBondContact O-CB 3.36Å; V492-G532 PolarHBondContact N-O 2.98Å; V492-G532 PolarHBondContact O-N 3.32Å; V492-V534 HydrophobicContact CG2-CB 4.3Å; V492-V534 HydrophobicContact CG2-CG2 3.8Å; V492-I559 HydrophobicContact CG1-CG2 3.34Å
493	G	95.3	Very high	84.5	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	179.4	-175.5	0	0	0	0	0	113.9	L495 G530 R560	G493-L495 PolarHBondContact O-N 2.91Å; G493-G530 CarbonylContact C-O 3.53Å; G493-R560 PolarHBondContact N-O 3.2Å; G493-R560 PolarHBondContact O-N 2.97Å
494	N	95.1	Very high	86.4	Confident	75 Å²	75	44.7 Å²	44.7	40%	0.401	22%	0.224	S	C	.	.	S	Bend	trans	64.8	9.4	-170.9	-162.1	42.6	0	0	0	115.1	G530 R557 Q558 R560	N494-G530 PolarHBondContact N-O 2.88Å; N494-G530 VanDerWaalsContact N-O 3.09Å; N494-R557 PolarHBondContact O-NE 3.38Å; N494-R557 PolarHBondContact OD1-NH2 3.09Å; N494-Q558 PolarHBondContact ND2-O 3.35Å; N494-R560 HydrophobicContact CB-CB 4.23Å
495	L	94.8	Very high	88.2	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	23%	0.232	C	C	.	.			trans	-60.8	146.5	-179.8	-61.5	168.9	0	0	0	111.2	V492 G493 I504 L519 G530 I554 I559	V492-L495 HydrophobicContact CB-CD1 4.44Å; V492-L495 HydrophobicContact CG1-CD1 3.97Å; V492-L495 HydrophobicContact CG1-CD2 3.93Å; V492-L495 HydrophobicContact CG1-CG 4.15Å; G493-L495 PolarHBondContact O-N 2.91Å; L495-I504 HydrophobicContact CD1-CD1 3.68Å; L495-I504 HydrophobicContact CD1-CG1 4.3Å; L495-I504 HydrophobicContact CD2-CD1 4.36Å; L495-I504 HydrophobicContact CD2-CG1 4.12Å; L495-L519 HydrophobicContact CD1-CD2 3.68Å; L495-G530 PolarHBondContact N-O 3.12Å; L495-G530 VanDerWaalsContact N-O 3.12Å; L495-G530 VanDerWaalsContact O-CA 3.25Å; L495-G530 WeakPolarHBondContact O-CA 3.37Å; L495-I554 HydrophobicContact CD2-CD1 3.76Å; L495-I559 HydrophobicContact CD2-CG2 4.12Å
496	P	93.4	Very high	89.9	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.091	23%	0.228	C	C	.	.			trans	-61.3	150.4	172.9	10.9	-11.3	0	0	0	111.7	D498 C499 I554 R555	P496-D498 VanDerWaalsContact C-N 3.26Å; P496-D498 PolarHBondContact O-N 3.26Å; P496-C499 HydrophobicContact CB-CB 4.37Å; P496-C499 HydrophobicContact CG-CB 3.91Å; P496-C499 WeakPolarHBondContact O-CB 3.41Å; P496-C499 PolarHBondContact O-N 2.98Å; P496-I554 HydrophobicContact CG-CG2 3.9Å; P496-R555 HydrophobicContact CG-CB 4.37Å
497	F	91.7	Very high	91.3	Very high	139 Å²	139	41.4 Å²	41.4	61%	0.61	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.4	-177.3	-60.2	-61.8	0	0	0	113.4	V528	F497-V528 WeakPolarHBondContact CD1-O 3.41Å; F497-V528 WeakPolarHBondContact O-CB 3.46Å
498	D	89.7	Confident	92.3	Very high	111 Å²	111	34.5 Å²	34.5	59%	0.594	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	10.7	177.9	-55.8	-70	0	0	0	113.6	K408 P496 R555	K408-D498 PolarHBondContact NZ-O 3.35Å; P496-D498 VanDerWaalsContact C-N 3.26Å; P496-D498 PolarHBondContact O-N 3.26Å; D498-R555 PolarHBondContact O-NH1 3.23Å; D498-R555 PolarHBondContact O-NH2 3.1Å
499	C	90.4	Very high	92.6	Very high	2 Å²	2	35 Å²	35	1%	0.014	19%	0.186	C	C	.	.			trans	-68.8	142.1	-179.1	-169.2	0	0	0	0	111.9	P496 E503	P496-C499 HydrophobicContact CB-CB 4.37Å; P496-C499 HydrophobicContact CG-CB 3.91Å; P496-C499 WeakPolarHBondContact O-CB 3.41Å; P496-C499 PolarHBondContact O-N 2.98Å; C499-E503 WeakPolarHBondContact CA-OE2 3.49Å; C499-E503 PolarHBondContact SG-OE2 3.16Å
500	T	90.8	Very high	92.6	Very high	32 Å²	32	40.3 Å²	40.3	20%	0.196	22%	0.219	C	C	.	.			trans	-96.4	160.6	174.9	58.3	0	0	0	0	111.8	K408 E502 E503 I504	K408-T500 HydrophobicContact CD-CG2 3.86Å; T500-E502 PolarHBondContact O-N 3.31Å; T500-E503 PolarHBondContact N-OE2 3.43Å; T500-E503 WeakPolarHBondContact OG1-CG 3.26Å; T500-E503 PolarHBondContact OG1-N 3.46Å; T500-I504 WeakPolarHBondContact O-CD1 3.42Å
501	E	91.8	Very high	92.6	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-52.6	-36	165.4	-88.9	74.3	-171.9	0	0	112.6	I504 Y505 V517 L519 R521	E501-I504 PolarHBondContact O-N 3.3Å; E501-Y505 PolarHBondContact O-N 3.01Å; E501-V517 HydrophobicContact CB-CG1 4.3Å; E501-V517 HydrophobicContact CG-CB 4.43Å; E501-V517 HydrophobicContact CG-CG1 4.04Å; E501-L519 VanDerWaalsContact OE1-CB 3.28Å; E501-L519 WeakPolarHBondContact OE1-CB 3.32Å; E501-L519 PolarHBondContact OE1-N 2.57Å; E501-R521 IonicContact OE1-CZ 3.05Å; E501-R521 IonicContact OE1-NE 2.84Å; E501-R521 IonicContact OE1-NH2 3.92Å; E501-R521 PolarHBondContact OE1-NH2 2.98Å; E501-R521 IonicContact OE2-CZ 2.66Å; E501-R521 IonicContact OE2-NH2 3.69Å; E501-R521 PolarHBondContact OE2-NH2 3.5Å
502	E	90.8	Very high	92.5	Very high	27 Å²	27	40.1 Å²	40.1	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-71.2	-42.3	-174.4	-43.3	-50.1	130.5	0	0	113.2	N344 V468 H470 T500 I504 Y505 S506	N344-E502 PolarHBondContact ND2-OE1 3.47Å; V468-E502 VanDerWaalsContact O-CG 3.28Å; V468-E502 WeakPolarHBondContact O-CG 3.38Å; H470-E502 IonicContact CE1-OE2 3.37Å; H470-E502 IonicContact CG-OE2 4Å; H470-E502 PolarHBondContact N-OE1 3.24Å; H470-E502 PolarHBondContact N-OE2 3.25Å; H470-E502 VanDerWaalsContact N-OE2 3.1Å; H470-E502 IonicContact ND1-OE2 2.91Å; H470-E502 PolarHBondContact ND1-OE2 3.11Å; T500-E502 PolarHBondContact O-N 3.31Å; E502-I504 PolarHBondContact O-N 2.88Å; E502-Y505 CarbonylContact O-C 3.6Å; E502-Y505 WeakPolarHBondContact O-CA 3.35Å; E502-Y505 WeakPolarHBondContact O-CB 3.34Å; E502-Y505 PolarHBondContact O-N 3.39Å; E502-S506 PolarHBondContact O-N 3Å; E502-S506 PolarHBondContact O-OG 2.76Å
503	E	91.5	Very high	92.4	Very high	52 Å²	52	43 Å²	43	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-35	175.6	-71.6	168.2	148.4	0	0	111.7	C499 T500 T507 I554 R555	C499-E503 WeakPolarHBondContact CA-OE2 3.49Å; C499-E503 PolarHBondContact SG-OE2 3.16Å; T500-E503 PolarHBondContact N-OE2 3.43Å; T500-E503 WeakPolarHBondContact OG1-CG 3.26Å; T500-E503 PolarHBondContact OG1-N 3.46Å; E503-T507 WeakPolarHBondContact O-CB 3.09Å; E503-T507 WeakPolarHBondContact O-CG2 3.35Å; E503-T507 PolarHBondContact O-N 2.75Å; E503-T507 PolarHBondContact O-OG1 2.9Å; E503-I554 HydrophobicContact CB-CG2 4.29Å; E503-R555 IonicContact OE1-CZ 3.13Å; E503-R555 IonicContact OE1-NE 2.75Å; E503-R555 PolarHBondContact OE1-NE 3.2Å; E503-R555 IonicContact OE1-NH2 2.71Å; E503-R555 PolarHBondContact OE1-NH2 2.93Å; E503-R555 IonicContact OE2-CZ 3.63Å; E503-R555 IonicContact OE2-NE 3.71Å; E503-R555 IonicContact OE2-NH2 2.93Å; E503-R555 PolarHBondContact OE2-NH2 2.74Å
504	I	93.4	Very high	92.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-75.9	-34	177	-60.7	160.7	0	0	0	110.6	L495 T500 E501 E502 L508 V517 L519 V534 I554	L495-I504 HydrophobicContact CD1-CD1 3.68Å; L495-I504 HydrophobicContact CD1-CG1 4.3Å; L495-I504 HydrophobicContact CD2-CD1 4.36Å; L495-I504 HydrophobicContact CD2-CG1 4.12Å; T500-I504 WeakPolarHBondContact O-CD1 3.42Å; E501-I504 PolarHBondContact O-N 3.3Å; E502-I504 PolarHBondContact O-N 2.88Å; I504-L508 HydrophobicContact CG2-CD1 3.7Å; I504-L508 VanDerWaalsContact O-CB 3.29Å; I504-L508 WeakPolarHBondContact O-CB 2.81Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 3.3Å; I504-V517 HydrophobicContact CB-CG1 4.14Å; I504-V517 HydrophobicContact CG2-CG1 3.86Å; I504-L519 HydrophobicContact CD1-CD1 3.85Å; I504-L519 HydrophobicContact CD1-CD2 3.36Å; I504-L519 HydrophobicContact CD1-CG 3.7Å; I504-V534 HydrophobicContact CG2-CG2 3.9Å; I504-I554 HydrophobicContact CG1-CD1 3.91Å
505	Y	92.9	Very high	92	Very high	45 Å²	45	44.1 Å²	44.1	18%	0.176	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-57.1	172.8	-168.6	-80.7	0	0	0	110.3	H470 E501 E502 T507 L508 S509 I514 V517	H470-Y505 HydrophobicContact CB-CD2 4.44Å; H470-Y505 AromaticContact CD2-CD2 3.8Å; H470-Y505 AromaticContact CD2-CE2 3.44Å; H470-Y505 VanDerWaalsContact CD2-CE2 3.44Å; H470-Y505 WeakPolarHBondContact CD2-CE2 3.35Å; H470-Y505 AromaticContact CD2-CZ 3.56Å; H470-Y505 AromaticContact CE1-CD1 3.48Å; H470-Y505 VanDerWaalsContact CE1-CD1 3.48Å; H470-Y505 WeakPolarHBondContact CE1-CD1 3.5Å; H470-Y505 AromaticContact CE1-CE1 3.6Å; H470-Y505 AromaticContact CE1-CG 3.76Å; H470-Y505 AromaticContact CE1-CZ 3.96Å; H470-Y505 AromaticContact CG-CD2 3.84Å; H470-Y505 AromaticContact CG-CE2 3.97Å; H470-Y505 AromaticContact ND1-CG 3.86Å; H470-Y505 AromaticContact NE2-CD1 3.65Å; H470-Y505 AromaticContact NE2-CD2 3.96Å; H470-Y505 AromaticContact NE2-CE1 3.27Å; H470-Y505 VanDerWaalsContact NE2-CE1 3.27Å; H470-Y505 WeakPolarHBondContact NE2-CE1 3.32Å; H470-Y505 AromaticContact NE2-CE2 3.61Å; H470-Y505 AromaticContact NE2-CG 3.99Å; H470-Y505 AromaticContact NE2-CZ 3.24Å; E501-Y505 PolarHBondContact O-N 3.01Å; E502-Y505 CarbonylContact O-C 3.6Å; E502-Y505 WeakPolarHBondContact O-CA 3.35Å; E502-Y505 WeakPolarHBondContact O-CB 3.34Å; E502-Y505 PolarHBondContact O-N 3.39Å; Y505-T507 PolarHBondContact O-N 2.68Å; Y505-L508 PolarHBondContact O-N 2.83Å; Y505-S509 WeakPolarHBondContact O-CB 3.28Å; Y505-S509 PolarHBondContact O-N 2.83Å; Y505-I514 HydrophobicContact CD2-CB 4.07Å; Y505-I514 HydrophobicContact CD2-CD1 4.03Å; Y505-I514 HydrophobicContact CD2-CG2 3.88Å; Y505-I514 HydrophobicContact CE2-CB 3.63Å; Y505-I514 HydrophobicContact CE2-CD1 4.32Å; Y505-I514 HydrophobicContact CE2-CG2 3.75Å; Y505-I514 HydrophobicContact CG-CD1 4.21Å; Y505-I514 WeakPolarHBondContact O-CD1 3.23Å; Y505-V517 HydrophobicContact CD2-CG2 3.98Å
506	S	91	Very high	91.8	Very high	72 Å²	72	44.3 Å²	44.3	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-45.8	-177.3	-54.3	0	0	0	0	112.8	E502 L508 T510	E502-S506 PolarHBondContact O-N 3Å; E502-S506 PolarHBondContact O-OG 2.76Å; S506-L508 PolarHBondContact O-N 2.75Å; S506-T510 PolarHBondContact O-OG1 2.93Å
507	T	92.4	Very high	91.8	Very high	35 Å²	35	44.4 Å²	44.4	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-73	-22.2	-177.9	52.6	0	0	0	0	114.8	E503 Y505 I554	E503-T507 WeakPolarHBondContact O-CB 3.09Å; E503-T507 WeakPolarHBondContact O-CG2 3.35Å; E503-T507 PolarHBondContact O-N 2.75Å; E503-T507 PolarHBondContact O-OG1 2.9Å; Y505-T507 PolarHBondContact O-N 2.68Å; T507-I554 HydrophobicContact CG2-CG1 3.87Å
508	L	93.4	Very high	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-99.8	-21	176.7	-65.3	174	0	0	0	112.8	V492 I504 Y505 S506 T510 L511 I514 V534 L552 I561	V492-L508 HydrophobicContact CG2-CD1 4.03Å; I504-L508 HydrophobicContact CG2-CD1 3.7Å; I504-L508 VanDerWaalsContact O-CB 3.29Å; I504-L508 WeakPolarHBondContact O-CB 2.81Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 3.3Å; Y505-L508 PolarHBondContact O-N 2.83Å; S506-L508 PolarHBondContact O-N 2.75Å; L508-T510 PolarHBondContact O-N 3.4Å; L508-L511 HydrophobicContact CD2-CD1 4.01Å; L508-L511 WeakPolarHBondContact O-CB 3.11Å; L508-L511 PolarHBondContact O-N 3.43Å; L508-I514 HydrophobicContact CB-CD1 3.78Å; L508-V534 HydrophobicContact CD1-CB 4.38Å; L508-V534 HydrophobicContact CD1-CG1 4.42Å; L508-V534 HydrophobicContact CD1-CG2 3.79Å; L508-L552 HydrophobicContact CD2-CD1 3.87Å; L508-I561 HydrophobicContact CD2-CD1 3.66Å
509	S	92.3	Very high	91.9	Very high	50 Å²	50	33.9 Å²	33.9	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-24.7	176	-167.9	0	0	0	0	111.9	Y505 L511 G512	Y505-S509 WeakPolarHBondContact O-CB 3.28Å; Y505-S509 PolarHBondContact O-N 2.83Å; S509-L511 PolarHBondContact O-N 2.76Å; S509-G512 WeakPolarHBondContact CA-O 3.26Å; S509-G512 PolarHBondContact O-N 3.41Å; S509-G512 VanDerWaalsContact O-N 3.12Å
510	T	92.3	Very high	91.9	Very high	118 Å²	118	35.1 Å²	35.1	72%	0.724	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	169.7	-38.3	0	0	0	0	113	S506 L508	S506-T510 PolarHBondContact O-OG1 2.93Å; L508-T510 PolarHBondContact O-N 3.4Å
511	L	92.8	Very high	91.8	Very high	31 Å²	31	35.8 Å²	35.8	16%	0.162	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-21.2	176.7	-58.2	173.1	0	0	0	113	L508 S509 I541 A545 L552	L508-L511 HydrophobicContact CD2-CD1 4.01Å; L508-L511 WeakPolarHBondContact O-CB 3.11Å; L508-L511 PolarHBondContact O-N 3.43Å; S509-L511 PolarHBondContact O-N 2.76Å; L511-I541 HydrophobicContact CB-CG2 4.23Å; L511-I541 WeakPolarHBondContact O-CG2 3.24Å; L511-A545 HydrophobicContact CD1-CB 3.66Å; L511-L552 HydrophobicContact CD1-CD1 3.75Å; L511-L552 HydrophobicContact CG-CD1 4.3Å
512	G	92.4	Very high	91.6	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	21%	0.213	C	C	.	.	S	Bend	trans	157.8	166.9	-172.7	0	0	0	0	0	115.9	S509 I514	S509-G512 WeakPolarHBondContact CA-O 3.26Å; S509-G512 PolarHBondContact O-N 3.41Å; S509-G512 VanDerWaalsContact O-N 3.12Å; G512-I514 PolarHBondContact O-N 3.1Å
513	S	92.4	Very high	91.2	Very high	61 Å²	61	41.1 Å²	41.1	43%	0.427	24%	0.237	S	C	.	.			trans	-64.8	118.7	-176.8	-173.2	0	0	0	0	112.7	N537	S513-N537 PolarHBondContact O-N 3.12Å; S513-N537 PolarHBondContact OG-ND2 2.68Å
514	I	92.8	Very high	90.6	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.8	-179.7	-64.6	172	0	0	0	110.5	Y505 L508 G512 V517 V534 Y536	Y505-I514 HydrophobicContact CD2-CB 4.07Å; Y505-I514 HydrophobicContact CD2-CD1 4.03Å; Y505-I514 HydrophobicContact CD2-CG2 3.88Å; Y505-I514 HydrophobicContact CE2-CB 3.63Å; Y505-I514 HydrophobicContact CE2-CD1 4.32Å; Y505-I514 HydrophobicContact CE2-CG2 3.75Å; Y505-I514 HydrophobicContact CG-CD1 4.21Å; Y505-I514 WeakPolarHBondContact O-CD1 3.23Å; L508-I514 HydrophobicContact CB-CD1 3.78Å; G512-I514 PolarHBondContact O-N 3.1Å; I514-V517 HydrophobicContact CG2-CG2 3.98Å; I514-V534 HydrophobicContact CD1-CG1 4.32Å; I514-V534 HydrophobicContact CG1-CG1 4.2Å; I514-V534 HydrophobicContact CG2-CG1 3.89Å; I514-Y536 HydrophobicContact CG1-CD1 4.1Å; I514-Y536 HydrophobicContact CG1-CE1 3.91Å
515	K	89.9	Confident	90.1	Very high	96 Å²	96	48.6 Å²	48.6	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-39.2	175.3	-170.6	166.7	-170.4	149.2	0	113.2	N429 A535 N537	N429-K515 PolarHBondContact ND2-O 3.06Å; K515-A535 WeakPolarHBondContact CA-O 3.37Å; K515-A535 HydrophobicContact CB-CB 4.26Å; K515-A535 WeakPolarHBondContact CB-O 3.15Å; K515-A535 PolarHBondContact N-O 2.92Å; K515-N537 WeakPolarHBondContact CB-OD1 3.31Å
516	S	90	Very high	89.6	Confident	8 Å²	8	46.9 Å²	46.9	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	145.6	171.2	63.4	0	0	0	0	112.7	H483 V534 A535	H483-S516 PolarHBondContact CE1-OG 3.23Å; H483-S516 PolarHBondContact ND1-OG 2.95Å; H483-S516 WeakPolarHBondContact NE2-CB 3.25Å; H483-S516 PolarHBondContact NE2-OG 3.26Å; S516-V534 WeakPolarHBondContact O-CA 3.43Å; S516-A535 PolarHBondContact N-O 3.28Å; S516-A535 PolarHBondContact O-N 3.21Å
517	V	92.4	Very high	89.4	Confident	17 Å²	17	45.1 Å²	45.1	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.2	167.9	-176.5	0	0	0	0	109.3	E501 I504 Y505 I514 V534	E501-V517 HydrophobicContact CB-CG1 4.3Å; E501-V517 HydrophobicContact CG-CB 4.43Å; E501-V517 HydrophobicContact CG-CG1 4.04Å; I504-V517 HydrophobicContact CB-CG1 4.14Å; I504-V517 HydrophobicContact CG2-CG1 3.86Å; Y505-V517 HydrophobicContact CD2-CG2 3.98Å; I514-V517 HydrophobicContact CG2-CG2 3.98Å; V517-V534 HydrophobicContact CG1-CG2 4.24Å; V517-V534 HydrophobicContact CG2-CG2 4.25Å
518	R	91.5	Very high	89.3	Confident	20 Å²	20	43.9 Å²	43.9	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	98.8	175.8	179.9	-179.3	169.6	-137.9	-2.1	111	D480 C484 I520 G532 Y533	D480-R518 PolarHBondContact O-NH1 3.47Å; D480-R518 IonicContact OD1-CZ 3.17Å; D480-R518 IonicContact OD1-NE 3.86Å; D480-R518 IonicContact OD1-NH2 3.99Å; D480-R518 PolarHBondContact OD1-NH2 2.78Å; D480-R518 IonicContact OD2-NH2 2.71Å; C484-R518 PolarHBondContact SG-NH1 2.98Å; R518-I520 HydrophobicContact CG-CD1 4.3Å; R518-G532 CarbonylContact O-C 3.56Å; R518-G532 WeakPolarHBondContact O-CA 3.21Å; R518-Y533 PolarHBondContact N-O 3.05Å; R518-Y533 PolarHBondContact O-N 3.16Å
519	L	92.2	Very high	89.2	Confident	9 Å²	9	50.5 Å²	50.5	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.1	167.2	-74.7	172.4	0	0	0	111.2	L495 E501 I504 V528	L495-L519 HydrophobicContact CD1-CD2 3.68Å; E501-L519 VanDerWaalsContact OE1-CB 3.28Å; E501-L519 WeakPolarHBondContact OE1-CB 3.32Å; E501-L519 PolarHBondContact OE1-N 2.57Å; I504-L519 HydrophobicContact CD1-CD1 3.85Å; I504-L519 HydrophobicContact CD1-CD2 3.36Å; I504-L519 HydrophobicContact CD1-CG 3.7Å; L519-V528 HydrophobicContact CB-CG1 4.14Å; L519-V528 HydrophobicContact CD1-CG1 3.91Å; L519-V528 HydrophobicContact CD1-CG2 4.02Å; L519-V528 HydrophobicContact CD2-CG1 3.74Å; L519-V528 HydrophobicContact CG-CG1 4.16Å
520	I	91.2	Very high	89.3	Confident	28 Å²	28	48.6 Å²	48.6	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120	171.9	-56.4	-56.4	0	0	0	108.5	R518 R529 F531 Y533	R518-I520 HydrophobicContact CG-CD1 4.3Å; I520-R529 WeakPolarHBondContact O-CB 3.44Å; I520-R529 WeakPolarHBondContact O-CG 3.35Å; I520-R529 PolarHBondContact O-N 2.7Å; I520-F531 HydrophobicContact CB-CD2 3.97Å; I520-F531 HydrophobicContact CB-CE2 3.56Å; I520-F531 HydrophobicContact CB-CZ 3.98Å; I520-F531 HydrophobicContact CG1-CD2 4.01Å; I520-F531 HydrophobicContact CG1-CE2 3.66Å; I520-F531 HydrophobicContact CG2-CE2 3.79Å; I520-F531 HydrophobicContact CG2-CZ 3.8Å; I520-F531 PolarHBondContact N-O 2.92Å; I520-Y533 HydrophobicContact CD1-CD2 3.89Å; I520-Y533 HydrophobicContact CD1-CE2 3.86Å; I520-Y533 HydrophobicContact CG1-CD2 3.92Å; I520-Y533 HydrophobicContact CG1-CE2 3.71Å
521	R	89.3	Confident	89.4	Confident	46 Å²	46	44.8 Å²	44.8	17%	0.174	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	158.3	-175.8	-52.7	179.1	-162	155.5	-5	109.8	F409 E501 A527 V528	F409-R521 VanDerWaalsContact CD1-NH2 3.27Å; F409-R521 VanDerWaalsContact CD2-CZ 3.5Å; F409-R521 VanDerWaalsContact CE1-CZ 3.46Å; F409-R521 VanDerWaalsContact CZ-NE 3.33Å; E501-R521 IonicContact OE1-CZ 3.05Å; E501-R521 IonicContact OE1-NE 2.84Å; E501-R521 IonicContact OE1-NH2 3.92Å; E501-R521 PolarHBondContact OE1-NH2 2.98Å; E501-R521 IonicContact OE2-CZ 2.66Å; E501-R521 IonicContact OE2-NH2 3.69Å; E501-R521 PolarHBondContact OE2-NH2 3.5Å; R521-A527 CarbonylContact C-O 3.59Å; R521-A527 VanDerWaalsContact CA-O 3.27Å; R521-A527 WeakPolarHBondContact CA-O 3.48Å; R521-V528 HydrophobicContact CG-CG2 4.44Å
522	D	87.7	Confident	89.4	Confident	58 Å²	58	43.5 Å²	43.5	31%	0.31	24%	0.236	S	C	.	.			trans	-74	147	171.3	177.5	48	0	0	0	111.7	Q524 T525 G526 A527 R529	D522-Q524 WeakPolarHBondContact OD2-CA 3.2Å; D522-Q524 VanDerWaalsContact OD2-CB 3.27Å; D522-Q524 WeakPolarHBondContact OD2-CB 3.48Å; D522-Q524 PolarHBondContact OD2-N 3.43Å; D522-T525 PolarHBondContact OD2-N 2.63Å; D522-T525 PolarHBondContact OD2-OG1 3.49Å; D522-G526 WeakPolarHBondContact O-CA 3.44Å; D522-G526 PolarHBondContact O-N 3.13Å; D522-G526 VanDerWaalsContact O-N 3.09Å; D522-A527 PolarHBondContact N-O 2.99Å; D522-R529 HydrophobicContact CB-CG 4.5Å
523	S	81	Confident	89.5	Confident	91 Å²	91	44.2 Å²	44.2	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.3	-177.5	-164.5	0	0	0	0	113.6	R394	R394-S523 PolarHBondContact NH1-O 2.83Å
524	Q	80.1	Confident	89.5	Confident	131 Å²	131	41.4 Å²	41.4	61%	0.612	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-52.4	178.4	-53.3	-165.7	11.8	0	0	111.7	T389 D522	T389-Q524 HydrophobicContact CG2-CB 3.58Å; T389-Q524 HydrophobicContact CG2-CG 3.85Å; D522-Q524 WeakPolarHBondContact OD2-CA 3.2Å; D522-Q524 VanDerWaalsContact OD2-CB 3.27Å; D522-Q524 WeakPolarHBondContact OD2-CB 3.48Å; D522-Q524 PolarHBondContact OD2-N 3.43Å
525	T	83	Confident	89.5	Confident	81 Å²	81	41.4 Å²	41.4	50%	0.497	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-14.1	-177.3	65.7	0	0	0	0	114.2	I383 D522 A527	I383-T525 WeakPolarHBondContact CD1-O 3.46Å; D522-T525 PolarHBondContact OD2-N 2.63Å; D522-T525 PolarHBondContact OD2-OG1 3.49Å; T525-A527 PolarHBondContact O-N 2.98Å
526	G	82.1	Confident	89.7	Confident	9 Å²	9	36.9 Å²	36.9	9%	0.093	20%	0.195	C	C	.	.			trans	65	-6.9	-179.2	0	0	0	0	0	116.7	D522	D522-G526 WeakPolarHBondContact O-CA 3.44Å; D522-G526 PolarHBondContact O-N 3.13Å; D522-G526 VanDerWaalsContact O-N 3.09Å
527	A	85.7	Confident	89.8	Confident	35 Å²	35	39.4 Å²	39.4	29%	0.289	21%	0.209	S	C	.	.			trans	-59.6	148.2	173.6	0	0	0	0	0	111.1	V406 R521 D522 T525	V406-A527 HydrophobicContact CG1-CB 4.17Å; R521-A527 CarbonylContact C-O 3.59Å; R521-A527 VanDerWaalsContact CA-O 3.27Å; R521-A527 WeakPolarHBondContact CA-O 3.48Å; D522-A527 PolarHBondContact N-O 2.99Å; T525-A527 PolarHBondContact O-N 2.98Å
528	V	90.5	Very high	89.8	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.2	174.5	-172.5	0	0	0	0	109.1	F497 L519 R521 G530	F497-V528 WeakPolarHBondContact CD1-O 3.41Å; F497-V528 WeakPolarHBondContact O-CB 3.46Å; L519-V528 HydrophobicContact CB-CG1 4.14Å; L519-V528 HydrophobicContact CD1-CG1 3.91Å; L519-V528 HydrophobicContact CD1-CG2 4.02Å; L519-V528 HydrophobicContact CD2-CG1 3.74Å; L519-V528 HydrophobicContact CG-CG1 4.16Å; R521-V528 HydrophobicContact CG-CG2 4.44Å; V528-G530 VanDerWaalsContact C-N 3.28Å; V528-G530 PolarHBondContact O-N 3.46Å
529	R	92.3	Very high	89.8	Confident	140 Å²	140	44.8 Å²	44.8	53%	0.528	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	14.2	-177.9	-63.8	-176.9	59.8	-164.3	-4.4	114.3	I520 D522 F531	I520-R529 WeakPolarHBondContact O-CB 3.44Å; I520-R529 WeakPolarHBondContact O-CG 3.35Å; I520-R529 PolarHBondContact O-N 2.7Å; D522-R529 HydrophobicContact CB-CG 4.5Å; R529-F531 VanDerWaalsContact C-N 3.25Å; R529-F531 HydrophobicContact CB-CD1 3.84Å; R529-F531 HydrophobicContact CB-CE1 3.6Å; R529-F531 HydrophobicContact CB-CZ 4.43Å; R529-F531 WeakPolarHBondContact O-CD1 3.46Å; R529-F531 PolarHBondContact O-N 2.89Å
530	G	93	Very high	89.8	Confident	9 Å²	9	49 Å²	49	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	18.4	-172.8	0	0	0	0	0	114.7	G493 N494 L495 V528	G493-G530 CarbonylContact C-O 3.53Å; N494-G530 PolarHBondContact N-O 2.88Å; N494-G530 VanDerWaalsContact N-O 3.09Å; L495-G530 PolarHBondContact N-O 3.12Å; L495-G530 VanDerWaalsContact N-O 3.12Å; L495-G530 VanDerWaalsContact O-CA 3.25Å; L495-G530 WeakPolarHBondContact O-CA 3.37Å; V528-G530 VanDerWaalsContact C-N 3.28Å; V528-G530 PolarHBondContact O-N 3.46Å
531	F	94.6	Very high	89.9	Confident	39 Å²	39	48.9 Å²	48.9	17%	0.171	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158	173.6	72.7	-91.6	0	0	0	113.3	F491 V492 I520 R529	F491-F531 HydrophobicContact CD2-CD2 4.48Å; F491-F531 HydrophobicContact CE2-CB 3.81Å; F491-F531 AromaticContact CE2-CD2 3.64Å; F491-F531 HydrophobicContact CE2-CD2 3.64Å; F491-F531 HydrophobicContact CE2-CE2 4.46Å; F491-F531 AromaticContact CE2-CG 3.94Å; F491-F531 HydrophobicContact CE2-CG 3.94Å; F491-F531 HydrophobicContact CZ-CB 3.86Å; F491-F531 HydrophobicContact CZ-CD2 4.44Å; F491-F531 HydrophobicContact CZ-CG 4.3Å; V492-F531 CarbonylContact O-C 3.51Å; V492-F531 WeakPolarHBondContact O-CA 3.03Å; V492-F531 WeakPolarHBondContact O-CB 3.36Å; I520-F531 HydrophobicContact CB-CD2 3.97Å; I520-F531 HydrophobicContact CB-CE2 3.56Å; I520-F531 HydrophobicContact CB-CZ 3.98Å; I520-F531 HydrophobicContact CG1-CD2 4.01Å; I520-F531 HydrophobicContact CG1-CE2 3.66Å; I520-F531 HydrophobicContact CG2-CE2 3.79Å; I520-F531 HydrophobicContact CG2-CZ 3.8Å; I520-F531 PolarHBondContact N-O 2.92Å; R529-F531 VanDerWaalsContact C-N 3.25Å; R529-F531 HydrophobicContact CB-CD1 3.84Å; R529-F531 HydrophobicContact CB-CE1 3.6Å; R529-F531 HydrophobicContact CB-CZ 4.43Å; R529-F531 WeakPolarHBondContact O-CD1 3.46Å; R529-F531 PolarHBondContact O-N 2.89Å
532	G	93.5	Very high	90.1	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-171.8	178.5	0	0	0	0	0	112.6	V492 R518	V492-G532 PolarHBondContact N-O 2.98Å; V492-G532 PolarHBondContact O-N 3.32Å; R518-G532 CarbonylContact O-C 3.56Å; R518-G532 WeakPolarHBondContact O-CA 3.21Å
533	Y	93.7	Very high	90.4	Very high	32 Å²	32	48 Å²	48	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.2	172	-59.4	-70.6	0	0	0	109.2	V490 F491 R518 I520 Y564	V490-Y533 WeakPolarHBondContact O-CA 3.34Å; F491-Y533 HydrophobicContact CB-CD1 4.32Å; F491-Y533 HydrophobicContact CB-CE1 4.24Å; F491-Y533 HydrophobicContact CD2-CD1 4.25Å; F491-Y533 AromaticContact CD2-CE1 3.69Å; F491-Y533 HydrophobicContact CD2-CE1 3.69Å; F491-Y533 HydrophobicContact CG-CE1 4.46Å; R518-Y533 PolarHBondContact N-O 3.05Å; R518-Y533 PolarHBondContact O-N 3.16Å; I520-Y533 HydrophobicContact CD1-CD2 3.89Å; I520-Y533 HydrophobicContact CD1-CE2 3.86Å; I520-Y533 HydrophobicContact CG1-CD2 3.92Å; I520-Y533 HydrophobicContact CG1-CE2 3.71Å; Y533-Y564 AromaticContact CD1-CD2 3.54Å; Y533-Y564 HydrophobicContact CD1-CD2 3.54Å; Y533-Y564 AromaticContact CD1-CE2 3.8Å; Y533-Y564 HydrophobicContact CD1-CE2 3.8Å; Y533-Y564 AromaticContact CE1-CD2 3.46Å; Y533-Y564 HydrophobicContact CE1-CD2 3.46Å; Y533-Y564 VanDerWaalsContact CE1-CD2 3.46Å; Y533-Y564 AromaticContact CE1-CE2 3.46Å; Y533-Y564 HydrophobicContact CE1-CE2 3.46Å; Y533-Y564 VanDerWaalsContact CE1-CE2 3.46Å; Y533-Y564 AromaticContact CZ-CE2 3.96Å
534	V	93.7	Very high	91	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.1	174.6	178.7	0	0	0	0	107.7	V490 V492 I504 L508 I514 S516 V517 Y536	V490-V534 PolarHBondContact N-O 3.18Å; V490-V534 PolarHBondContact O-N 2.99Å; V492-V534 HydrophobicContact CG2-CB 4.3Å; V492-V534 HydrophobicContact CG2-CG2 3.8Å; I504-V534 HydrophobicContact CG2-CG2 3.9Å; L508-V534 HydrophobicContact CD1-CB 4.38Å; L508-V534 HydrophobicContact CD1-CG1 4.42Å; L508-V534 HydrophobicContact CD1-CG2 3.79Å; I514-V534 HydrophobicContact CD1-CG1 4.32Å; I514-V534 HydrophobicContact CG1-CG1 4.2Å; I514-V534 HydrophobicContact CG2-CG1 3.89Å; S516-V534 WeakPolarHBondContact O-CA 3.43Å; V517-V534 HydrophobicContact CG1-CG2 4.24Å; V517-V534 HydrophobicContact CG2-CG2 4.25Å; V534-Y536 HydrophobicContact CG1-CE2 4.47Å
535	A	92.1	Very high	91.6	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.2	169.9	0	0	0	0	0	108.1	K515 S516	K515-A535 WeakPolarHBondContact CA-O 3.37Å; K515-A535 HydrophobicContact CB-CB 4.26Å; K515-A535 WeakPolarHBondContact CB-O 3.15Å; K515-A535 PolarHBondContact N-O 2.92Å; S516-A535 PolarHBondContact N-O 3.28Å; S516-A535 PolarHBondContact O-N 3.21Å
536	Y	93.8	Very high	92.2	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	161.2	168.3	-69.5	-81.3	0	0	0	109.9	N488 V490 I514 V534 D538 I541 I542 A545	N488-Y536 PolarHBondContact O-N 2.97Å; V490-Y536 HydrophobicContact CB-CE2 4.43Å; V490-Y536 HydrophobicContact CG2-CD2 3.86Å; V490-Y536 HydrophobicContact CG2-CE2 3.74Å; I514-Y536 HydrophobicContact CG1-CD1 4.1Å; I514-Y536 HydrophobicContact CG1-CE1 3.91Å; V534-Y536 HydrophobicContact CG1-CE2 4.47Å; Y536-D538 WeakPolarHBondContact CB-O 3.32Å; Y536-I541 HydrophobicContact CD1-CG2 4.08Å; Y536-I541 HydrophobicContact CE1-CG2 4.05Å; Y536-I541 HydrophobicContact CG-CB 4.49Å; Y536-I541 HydrophobicContact CG-CG2 4.4Å; Y536-I542 HydrophobicContact CD2-CG1 4.48Å; Y536-A545 HydrophobicContact CE2-CB 4.22Å
537	N	91.5	Very high	92.8	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-68.1	-50.9	165.8	-75.2	-46.4	0	0	0	109.6	N488 S513 K515	N488-N537 PolarHBondContact ND2-O 2.98Å; S513-N537 PolarHBondContact O-N 3.12Å; S513-N537 PolarHBondContact OG-ND2 2.68Å; K515-N537 WeakPolarHBondContact CB-OD1 3.31Å
538	D	92.8	Very high	93.1	Very high	85 Å²	85	49 Å²	49	46%	0.455	25%	0.251	S	S	.	.			trans	-95.4	130.3	-179.2	-56	-69.3	0	0	0	113.2	Y536 S540 I541	Y536-D538 WeakPolarHBondContact CB-O 3.32Å; D538-S540 VanDerWaalsContact C-N 3.29Å; D538-S540 PolarHBondContact O-N 3.04Å; D538-I541 HydrophobicContact CB-CD1 3.98Å; D538-I541 HydrophobicContact CB-CG1 4.06Å
539	P	91.3	Very high	93.1	Very high	64 Å²	64	49.4 Å²	49.4	42%	0.416	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.3	178.5	30.4	-33.8	0	0	0	112.5	I541 I542	P539-I541 PolarHBondContact O-N 3.49Å; P539-I541 VanDerWaalsContact O-N 3.07Å; P539-I542 WeakPolarHBondContact O-CB 3.39Å; P539-I542 WeakPolarHBondContact O-CG1 3.48Å; P539-I542 PolarHBondContact O-N 2.93Å; P539-I542 VanDerWaalsContact O-N 3.14Å
540	S	93.1	Very high	92.9	Very high	98 Å²	98	48.8 Å²	48.8	69%	0.685	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.1	179.1	-50.3	0	0	0	0	113.8	D538 P543	D538-S540 VanDerWaalsContact C-N 3.29Å; D538-S540 PolarHBondContact O-N 3.04Å; S540-P543 WeakPolarHBondContact O-CD 3.37Å; S540-P543 WeakPolarHBondContact O-CG 3.44Å
541	I	93.5	Very high	92.8	Very high	26 Å²	26	53.7 Å²	53.7	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-83	-18.3	-176.2	-55.7	-174.2	0	0	0	111.6	L511 Y536 D538 P539 L544 A545	L511-I541 HydrophobicContact CB-CG2 4.23Å; L511-I541 WeakPolarHBondContact O-CG2 3.24Å; Y536-I541 HydrophobicContact CD1-CG2 4.08Å; Y536-I541 HydrophobicContact CE1-CG2 4.05Å; Y536-I541 HydrophobicContact CG-CB 4.49Å; Y536-I541 HydrophobicContact CG-CG2 4.4Å; D538-I541 HydrophobicContact CB-CD1 3.98Å; D538-I541 HydrophobicContact CB-CG1 4.06Å; P539-I541 PolarHBondContact O-N 3.49Å; P539-I541 VanDerWaalsContact O-N 3.07Å; I541-L544 WeakPolarHBondContact O-CB 3.21Å; I541-L544 PolarHBondContact O-N 2.9Å; I541-A545 WeakPolarHBondContact O-CB 3.45Å; I541-A545 PolarHBondContact O-N 3.46Å
542	I	93	Very high	92.6	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-52.7	178.7	-60.2	176.4	0	0	0	113.6	D487 V490 Y536 P539 L544 A545 I546	D487-I542 WeakPolarHBondContact O-CD1 3.21Å; V490-I542 HydrophobicContact CG2-CB 4.21Å; V490-I542 HydrophobicContact CG2-CD1 4.2Å; V490-I542 HydrophobicContact CG2-CG1 3.65Å; V490-I542 HydrophobicContact CG2-CG2 3.94Å; Y536-I542 HydrophobicContact CD2-CG1 4.48Å; P539-I542 WeakPolarHBondContact O-CB 3.39Å; P539-I542 WeakPolarHBondContact O-CG1 3.48Å; P539-I542 PolarHBondContact O-N 2.93Å; P539-I542 VanDerWaalsContact O-N 3.14Å; I542-L544 PolarHBondContact O-N 3.23Å; I542-A545 PolarHBondContact O-N 3.17Å; I542-I546 HydrophobicContact CG2-CD1 3.71Å; I542-I546 HydrophobicContact CG2-CG1 4.39Å; I542-I546 WeakPolarHBondContact O-CG1 3.27Å; I542-I546 PolarHBondContact O-N 3.02Å
543	P	93.7	Very high	92.6	Very high	67 Å²	67	56.3 Å²	56.3	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-30	177.8	24.1	-35.1	0	0	0	112.5	S540 R547	S540-P543 WeakPolarHBondContact O-CD 3.37Å; S540-P543 WeakPolarHBondContact O-CG 3.44Å; P543-R547 WeakPolarHBondContact O-CD 3.48Å; P543-R547 VanDerWaalsContact O-CG 3.26Å; P543-R547 WeakPolarHBondContact O-CG 3.49Å; P543-R547 PolarHBondContact O-N 3.08Å
544	L	93.8	Very high	92.5	Very high	84 Å²	84	55.2 Å²	55.2	44%	0.44	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-50.6	172.3	-178	63.4	0	0	0	110.8	I541 I542 I546 R547 S548	I541-L544 WeakPolarHBondContact O-CB 3.21Å; I541-L544 PolarHBondContact O-N 2.9Å; I542-L544 PolarHBondContact O-N 3.23Å; L544-I546 VanDerWaalsContact C-N 3.28Å; L544-I546 PolarHBondContact O-N 3.26Å; L544-R547 WeakPolarHBondContact O-CB 3.44Å; L544-R547 PolarHBondContact O-N 3.28Å; L544-S548 PolarHBondContact O-N 2.86Å; L544-S548 PolarHBondContact O-OG 3.3Å
545	A	93.7	Very high	92.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-34.4	178.1	0	0	0	0	0	113.5	L511 Y536 I541 I542 S549 I561	L511-A545 HydrophobicContact CD1-CB 3.66Å; Y536-A545 HydrophobicContact CE2-CB 4.22Å; I541-A545 WeakPolarHBondContact O-CB 3.45Å; I541-A545 PolarHBondContact O-N 3.46Å; I542-A545 PolarHBondContact O-N 3.17Å; A545-S549 PolarHBondContact O-N 3.13Å; A545-I561 HydrophobicContact CB-CG2 4.22Å; A545-I561 WeakPolarHBondContact O-CD1 3.34Å
546	I	94.7	Very high	92.1	Very high	59 Å²	59	69.6 Å²	69.6	30%	0.303	37%	0.368	S	S	.	.	H	α-helix	trans	-69	-38.7	174.6	-66.6	166.5	0	0	0	111	I542 L544 S549 I561 E563	I542-I546 HydrophobicContact CG2-CD1 3.71Å; I542-I546 HydrophobicContact CG2-CG1 4.39Å; I542-I546 WeakPolarHBondContact O-CG1 3.27Å; I542-I546 PolarHBondContact O-N 3.02Å; L544-I546 VanDerWaalsContact C-N 3.28Å; L544-I546 PolarHBondContact O-N 3.26Å; I546-S549 VanDerWaalsContact O-CB 3.28Å; I546-S549 WeakPolarHBondContact O-CB 3.36Å; I546-S549 PolarHBondContact O-N 3.4Å; I546-S549 PolarHBondContact O-OG 2.95Å; I546-I561 HydrophobicContact CG1-CG2 4.46Å; I546-E563 HydrophobicContact CD1-CB 3.95Å
547	R	94.6	Very high	92	Very high	203 Å²	203	74.9 Å²	74.9	77%	0.766	39%	0.388	S	S	*	.	H	α-helix	trans	-66.1	-43.9	174.7	-70.8	166.8	-179	-177.7	0.2	111.6	P543 L544 S549	P543-R547 WeakPolarHBondContact O-CD 3.48Å; P543-R547 VanDerWaalsContact O-CG 3.26Å; P543-R547 WeakPolarHBondContact O-CG 3.49Å; P543-R547 PolarHBondContact O-N 3.08Å; L544-R547 WeakPolarHBondContact O-CB 3.44Å; L544-R547 PolarHBondContact O-N 3.28Å; R547-S549 PolarHBondContact O-N 2.87Å; R547-S549 VanDerWaalsContact O-N 3.14Å
548	S	92.5	Very high	92.1	Very high	23 Å²	23	78 Å²	78	16%	0.161	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	8.5	177.3	-52.1	0	0	0	0	114.7	L544 N550 T551 L552	L544-S548 PolarHBondContact O-N 2.86Å; L544-S548 PolarHBondContact O-OG 3.3Å; S548-N550 PolarHBondContact O-N 3.08Å; S548-T551 PolarHBondContact O-N 3.04Å; S548-T551 PolarHBondContact O-OG1 3.38Å; S548-L552 WeakPolarHBondContact O-CG 3.39Å; S548-L552 PolarHBondContact O-N 2.99Å
549	S	90.6	Very high	92.2	Very high	18 Å²	18	74.2 Å²	74.2	13%	0.126	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-47.9	179	52.4	0	0	0	0	112.8	A545 I546 R547 T551	A545-S549 PolarHBondContact O-N 3.13Å; I546-S549 VanDerWaalsContact O-CB 3.28Å; I546-S549 WeakPolarHBondContact O-CB 3.36Å; I546-S549 PolarHBondContact O-N 3.4Å; I546-S549 PolarHBondContact O-OG 2.95Å; R547-S549 PolarHBondContact O-N 2.87Å; R547-S549 VanDerWaalsContact O-N 3.14Å; S549-T551 VanDerWaalsContact C-N 3.29Å; S549-T551 PolarHBondContact O-N 2.92Å
550	N	87.9	Confident	92.3	Very high	126 Å²	126	78.5 Å²	78.5	67%	0.674	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.6	-175.9	-64.7	-21.9	0	0	0	113.7	S548	S548-N550 PolarHBondContact O-N 3.08Å
551	T	90.5	Very high	92.4	Very high	113 Å²	113	74.1 Å²	74.1	69%	0.693	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.8	-178.3	54.7	0	0	0	0	113.1	S548 S549	S548-T551 PolarHBondContact O-N 3.04Å; S548-T551 PolarHBondContact O-OG1 3.38Å; S549-T551 VanDerWaalsContact C-N 3.29Å; S549-T551 PolarHBondContact O-N 2.92Å
552	L	91.7	Very high	92.4	Very high	31 Å²	31	75.9 Å²	75.9	16%	0.162	37%	0.365	C	S	.	.			trans	-88.8	135.7	-179.2	-67.7	173.8	0	0	0	112	L508 L511 S548 Q558 I559 I561	L508-L552 HydrophobicContact CD2-CD1 3.87Å; L511-L552 HydrophobicContact CD1-CD1 3.75Å; L511-L552 HydrophobicContact CG-CD1 4.3Å; S548-L552 WeakPolarHBondContact O-CG 3.39Å; S548-L552 PolarHBondContact O-N 2.99Å; L552-Q558 WeakPolarHBondContact O-CA 3.44Å; L552-I559 HydrophobicContact CB-CD1 3.89Å; L552-I559 HydrophobicContact CB-CG1 4.38Å; L552-I559 PolarHBondContact O-N 2.96Å; L552-I561 HydrophobicContact CD1-CD1 3.9Å
553	S	91.9	Very high	92.3	Very high	65 Å²	65	80.5 Å²	80.5	46%	0.455	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.9	175.3	69.8	0	0	0	0	111.8	R557	S553-R557 CarbonylContact C-O 3.59Å; S553-R557 WeakPolarHBondContact CA-O 3.44Å; S553-R557 WeakPolarHBondContact CB-O 3.34Å
554	I	91.7	Very high	92	Very high	9 Å²	9	79.1 Å²	79.1	5%	0.046	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.6	170.6	-70.5	160.9	0	0	0	107.3	L495 P496 E503 I504 T507 E556 R557 I559	L495-I554 HydrophobicContact CD2-CD1 3.76Å; P496-I554 HydrophobicContact CG-CG2 3.9Å; E503-I554 HydrophobicContact CB-CG2 4.29Å; I504-I554 HydrophobicContact CG1-CD1 3.91Å; T507-I554 HydrophobicContact CG2-CG1 3.87Å; I554-E556 PolarHBondContact O-N 3.2Å; I554-R557 PolarHBondContact N-O 2.84Å; I554-R557 WeakPolarHBondContact O-CB 3.3Å; I554-R557 PolarHBondContact O-N 3.04Å; I554-R557 VanDerWaalsContact O-N 3.07Å; I554-I559 HydrophobicContact CD1-CD1 3.6Å; I554-I559 HydrophobicContact CD1-CG1 4.21Å; I554-I559 HydrophobicContact CG1-CD1 3.79Å; I554-I559 HydrophobicContact CG1-CG1 4.3Å
555	R	89.2	Confident	91.5	Very high	113 Å²	113	81.7 Å²	81.7	43%	0.426	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	64	-178.3	-52.6	-169.2	-157.1	153.7	9.4	112	P496 D498 E503 R557	P496-R555 HydrophobicContact CG-CB 4.37Å; D498-R555 PolarHBondContact O-NH1 3.23Å; D498-R555 PolarHBondContact O-NH2 3.1Å; E503-R555 IonicContact OE1-CZ 3.13Å; E503-R555 IonicContact OE1-NE 2.75Å; E503-R555 PolarHBondContact OE1-NE 3.2Å; E503-R555 IonicContact OE1-NH2 2.71Å; E503-R555 PolarHBondContact OE1-NH2 2.93Å; E503-R555 IonicContact OE2-CZ 3.63Å; E503-R555 IonicContact OE2-NE 3.71Å; E503-R555 IonicContact OE2-NH2 2.93Å; E503-R555 PolarHBondContact OE2-NH2 2.74Å; R555-R557 PolarHBondContact O-N 2.9Å
556	E	88.1	Confident	90.6	Very high	198 Å²	198	85.7 Å²	85.7	93%	0.925	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	0.6	178.9	-58	165.9	-164.9	0	0	115.9	I554	I554-E556 PolarHBondContact O-N 3.2Å
557	R	92.4	Very high	89.4	Confident	112 Å²	112	90.7 Å²	90.7	42%	0.423	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119	177.4	-57.1	-173.2	68.8	78.9	4.9	111.7	N494 S553 I554 R555	N494-R557 PolarHBondContact O-NE 3.38Å; N494-R557 PolarHBondContact OD1-NH2 3.09Å; S553-R557 CarbonylContact C-O 3.59Å; S553-R557 WeakPolarHBondContact CA-O 3.44Å; S553-R557 WeakPolarHBondContact CB-O 3.34Å; I554-R557 PolarHBondContact N-O 2.84Å; I554-R557 WeakPolarHBondContact O-CB 3.3Å; I554-R557 PolarHBondContact O-N 3.04Å; I554-R557 VanDerWaalsContact O-N 3.07Å; R555-R557 PolarHBondContact O-N 2.9Å
558	Q	92.8	Very high	88	Confident	126 Å²	126	90.4 Å²	90.4	59%	0.589	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.5	169.6	-72.3	175.6	-20.9	0	0	111.6	N494 L552	N494-Q558 PolarHBondContact ND2-O 3.35Å; L552-Q558 WeakPolarHBondContact O-CA 3.44Å
559	I	95.1	Very high	86.7	Confident	6 Å²	6	94.4 Å²	94.4	3%	0.031	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-88.3	125.7	-175.4	-50	175.4	0	0	0	110.5	V492 L495 L552 I554 I561	V492-I559 HydrophobicContact CG1-CG2 3.34Å; L495-I559 HydrophobicContact CD2-CG2 4.12Å; L552-I559 HydrophobicContact CB-CD1 3.89Å; L552-I559 HydrophobicContact CB-CG1 4.38Å; L552-I559 PolarHBondContact O-N 2.96Å; I554-I559 HydrophobicContact CD1-CD1 3.6Å; I554-I559 HydrophobicContact CD1-CG1 4.21Å; I554-I559 HydrophobicContact CG1-CD1 3.79Å; I554-I559 HydrophobicContact CG1-CG1 4.3Å; I559-I561 HydrophobicContact CB-CG1 4.37Å; I559-I561 HydrophobicContact CG2-CD1 4.46Å; I559-I561 HydrophobicContact CG2-CG1 3.82Å; I559-I561 PolarHBondContact O-N 3.08Å
560	R	94.4	Very high	85	Confident	154 Å²	154	102.8 Å²	102.8	58%	0.581	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	97.1	172.8	-174.4	176.1	176.6	156.2	5.6	110.9	G493 N494 M562	G493-R560 PolarHBondContact N-O 3.2Å; G493-R560 PolarHBondContact O-N 2.97Å; N494-R560 HydrophobicContact CB-CB 4.23Å; R560-M562 HydrophobicContact CG-CG 4.29Å; R560-M562 HydrophobicContact CG-SD 4.47Å; R560-M562 PolarHBondContact NE-SD 2.94Å; R560-M562 PolarHBondContact NH2-SD 3.23Å
561	I	95.5	Very high	83.1	Confident	6 Å²	6	102.1 Å²	102.1	3%	0.031	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.2	175.9	-50.5	178.7	0	0	0	110	V490 F491 L508 A545 I546 L552 I559	V490-I561 HydrophobicContact CG1-CG2 3.31Å; F491-I561 WeakPolarHBondContact O-CA 3.29Å; L508-I561 HydrophobicContact CD2-CD1 3.66Å; A545-I561 HydrophobicContact CB-CG2 4.22Å; A545-I561 WeakPolarHBondContact O-CD1 3.34Å; I546-I561 HydrophobicContact CG1-CG2 4.46Å; L552-I561 HydrophobicContact CD1-CD1 3.9Å; I559-I561 HydrophobicContact CB-CG1 4.37Å; I559-I561 HydrophobicContact CG2-CD1 4.46Å; I559-I561 HydrophobicContact CG2-CG1 3.82Å; I559-I561 PolarHBondContact O-N 3.08Å
562	M	93.1	Very high	81.1	Confident	63 Å²	63	105 Å²	105	31%	0.31	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.7	177.3	-60.6	-174.8	65.5	0	0	111.9	V490 F491 R560	V490-M562 VanDerWaalsContact CG1-O 3.25Å; V490-M562 WeakPolarHBondContact CG1-O 3.41Å; F491-M562 HydrophobicContact CB-CB 4.47Å; F491-M562 HydrophobicContact CD1-CB 4.13Å; F491-M562 HydrophobicContact CD1-CG 4.39Å; F491-M562 PolarHBondContact N-O 3.2Å; F491-M562 PolarHBondContact O-N 3.2Å; R560-M562 HydrophobicContact CG-CG 4.29Å; R560-M562 HydrophobicContact CG-SD 4.47Å; R560-M562 PolarHBondContact NE-SD 2.94Å; R560-M562 PolarHBondContact NH2-SD 3.23Å
563	E	90.2	Very high	78.9	Confident	114 Å²	114	111.4 Å²	111.4	53%	0.533	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	137.6	167.3	-176.1	-161.3	-159.1	0	0	112.3	I546 K565	I546-E563 HydrophobicContact CD1-CB 3.95Å; E563-K565 PolarHBondContact O-N 3.44Å; E563-K565 WeakPolarHBondContact OE2-CE 3.48Å; E563-K565 IonicContact OE2-NZ 2.76Å
564	Y	87.2	Confident	76.1	Confident	38 Å²	38	111.7 Å²	111.7	15%	0.149	52%	0.522	C	S	.	.			trans	-70.7	112.2	176.7	176.1	-94.8	0	0	0	112.4	C484 C489 Y533 V566	C484-Y564 HydrophobicContact CB-CD2 4.06Å; C484-Y564 HydrophobicContact CB-CE1 4.26Å; C484-Y564 HydrophobicContact CB-CE2 3.51Å; C484-Y564 WeakPolarHBondContact O-CD1 3.34Å; C484-Y564 WeakPolarHBondContact O-CE1 3.23Å; C484-Y564 VanDerWaalsContact O-CZ 3.23Å; C489-Y564 HydrophobicContact CB-CD1 4.49Å; C489-Y564 HydrophobicContact CB-CG 4.09Å; C489-Y564 WeakPolarHBondContact O-CB 3.48Å; C489-Y564 PolarHBondContact O-N 2.95Å; Y533-Y564 AromaticContact CD1-CD2 3.54Å; Y533-Y564 HydrophobicContact CD1-CD2 3.54Å; Y533-Y564 AromaticContact CD1-CE2 3.8Å; Y533-Y564 HydrophobicContact CD1-CE2 3.8Å; Y533-Y564 AromaticContact CE1-CD2 3.46Å; Y533-Y564 HydrophobicContact CE1-CD2 3.46Å; Y533-Y564 VanDerWaalsContact CE1-CD2 3.46Å; Y533-Y564 AromaticContact CE1-CE2 3.46Å; Y533-Y564 HydrophobicContact CE1-CE2 3.46Å; Y533-Y564 VanDerWaalsContact CE1-CE2 3.46Å; Y533-Y564 AromaticContact CZ-CE2 3.96Å; Y564-V566 HydrophobicContact CD1-CG2 4.1Å; Y564-V566 HydrophobicContact CE1-CB 4.24Å; Y564-V566 HydrophobicContact CE1-CG2 3.7Å; Y564-V566 PolarHBondContact O-N 3.22Å
565	K	82.7	Confident	73.4	Confident	139 Å²	139	120.3 Å²	120.3	60%	0.604	56%	0.556	S	S	*	*			trans	-91.3	104.5	176.7	-59.3	-165.4	176.6	-169.1	0	111.3	E563 K567	E563-K565 PolarHBondContact O-N 3.44Å; E563-K565 WeakPolarHBondContact OE2-CE 3.48Å; E563-K565 IonicContact OE2-NZ 2.76Å; K565-K567 PolarHBondContact O-N 2.97Å
566	V	75.2	Confident	71	Confident	84 Å²	84	122 Å²	122	51%	0.509	57%	0.568	S	S	.	*			trans	-51.8	109	172.2	-179.4	0	0	0	0	109.5	Y564 K568	Y564-V566 HydrophobicContact CD1-CG2 4.1Å; Y564-V566 HydrophobicContact CE1-CB 4.24Å; Y564-V566 HydrophobicContact CE1-CG2 3.7Å; Y564-V566 PolarHBondContact O-N 3.22Å; V566-K568 VanDerWaalsContact C-N 3.33Å; V566-K568 PolarHBondContact O-N 3.16Å
567	K	70.4	Confident	68.6	Low	164 Å²	164	120.7 Å²	120.7	71%	0.713	56%	0.562	S	S	*	*			trans	-68.1	91.2	175	-72.1	-179.7	179.7	171.9	0	109.6	K565 I569	K565-K567 PolarHBondContact O-N 2.97Å; K567-I569 PolarHBondContact O-N 3.11Å
568	K	65.7	Low	66.1	Low	196 Å²	196	119.3 Å²	119.3	85%	0.852	57%	0.566	S	S	*	*			trans	-49.7	110.6	171.8	-68.7	-174.8	-179.6	-179.8	0	108.4	V566 K570	V566-K568 VanDerWaalsContact C-N 3.33Å; V566-K568 PolarHBondContact O-N 3.16Å; K568-K570 PolarHBondContact O-N 2.98Å
569	I	63.3	Low	63.5	Low	108 Å²	108	122.1 Å²	122.1	55%	0.554	58%	0.577	S	S	*	*			trans	-68.2	103.6	178	-60.5	175	0	0	0	106.3	K481 K567 N571	K481-I569 HydrophobicContact CD-CD1 4.13Å; K567-I569 PolarHBondContact O-N 3.11Å; I569-N571 PolarHBondContact O-N 3.08Å
570	K	56.2	Low	60.7	Low	194 Å²	194	130 Å²	130	84%	0.843	61%	0.611	S	S	*	*			trans	-62.5	104.1	161.2	-66.2	-172	179.5	-173.4	0	106	K568 K572	K568-K570 PolarHBondContact O-N 2.98Å; K570-K572 PolarHBondContact O-N 2.82Å
571	N	48.3	Very low	58.2	Low	111 Å²	111	129.9 Å²	129.9	59%	0.594	62%	0.617	S	S	*	*			trans	-55.6	116.5	176.1	-72.3	-5.3	0	0	0	108	I569 E573	I569-N571 PolarHBondContact O-N 3.08Å; N571-E573 HydrophobicContact CB-CG 3.49Å; N571-E573 VanDerWaalsContact CB-CG 3.49Å; N571-E573 VanDerWaalsContact CB-OE1 3.3Å; N571-E573 WeakPolarHBondContact CB-OE1 3.33Å; N571-E573 PolarHBondContact ND2-OE1 3.07Å; N571-E573 PolarHBondContact O-N 3.04Å
572	K	48.4	Very low	55.7	Low	173 Å²	173	137.1 Å²	137.1	75%	0.752	65%	0.65	S	S	*	*			trans	-79.4	63.3	172.5	-73.2	-168	175.3	-173.8	0	109.6	K570 G574 Y575	K570-K572 PolarHBondContact O-N 2.82Å; K572-G574 PolarHBondContact O-N 3.18Å; K572-G574 VanDerWaalsContact O-N 3.11Å; K572-Y575 PolarHBondContact O-N 3.03Å
573	E	44.2	Very low	53.1	Low	167 Å²	167	142.6 Å²	142.6	78%	0.78	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-12.6	178.1	-50.4	-168.7	175.1	0	0	111.8	N571	N571-E573 HydrophobicContact CB-CG 3.49Å; N571-E573 VanDerWaalsContact CB-CG 3.49Å; N571-E573 VanDerWaalsContact CB-OE1 3.3Å; N571-E573 WeakPolarHBondContact CB-OE1 3.33Å; N571-E573 PolarHBondContact ND2-OE1 3.07Å; N571-E573 PolarHBondContact O-N 3.04Å
574	G	33.3	Very low	50.6	Low	70 Å²	70	145.9 Å²	145.9	72%	0.722	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	6.1	169.8	0	0	0	0	0	116.6	K572 Q576	K572-G574 PolarHBondContact O-N 3.18Å; K572-G574 VanDerWaalsContact O-N 3.11Å; G574-Q576 PolarHBondContact O-N 3.17Å; G574-Q576 VanDerWaalsContact O-N 3.09Å
575	Y	35.3	Very low	48.6	Very low	190 Å²	190	150.5 Å²	150.5	75%	0.745	71%	0.705	S	S	*	*	S	Bend	trans	-73.9	106.4	167.1	-161.8	-94.1	0	0	0	108.3	K572 Q577	K572-Y575 PolarHBondContact O-N 3.03Å; Y575-Q577 PolarHBondContact O-N 3.06Å
576	Q	38.8	Very low	46.6	Very low	148 Å²	148	150.7 Å²	150.7	69%	0.692	71%	0.712	S	S	*	*			trans	-52	132.3	-166	-62	173.5	3.7	0	0	111.7	G574 T578	G574-Q576 PolarHBondContact O-N 3.17Å; G574-Q576 VanDerWaalsContact O-N 3.09Å; Q576-T578 HydrophobicContact CB-CG2 4.25Å; Q576-T578 PolarHBondContact O-N 3.18Å
577	Q	38.3	Very low	45.1	Very low	172 Å²	172	155.6 Å²	155.6	80%	0.804	72%	0.722	S	S	*	*			trans	-64.8	84.1	148.1	-67.7	-179.2	8.7	0	0	106.8	Y575 K579	Y575-Q577 PolarHBondContact O-N 3.06Å; Q577-K579 PolarHBondContact O-N 2.89Å
578	T	39	Very low	43.9	Very low	82 Å²	82	155 Å²	155	50%	0.503	73%	0.726	S	S	.	*			trans	-54.1	125.9	168.6	46.8	0	0	0	0	106.8	Q576 F580	Q576-T578 HydrophobicContact CB-CG2 4.25Å; Q576-T578 PolarHBondContact O-N 3.18Å; T578-F580 PolarHBondContact O-N 2.76Å
579	K	38.7	Very low	42.8	Very low	186 Å²	186	152.8 Å²	152.8	81%	0.809	72%	0.724	S	S	*	*			trans	-78.1	66.4	-160.9	-67.6	178.9	-178.3	172.3	0	112.1	Q577 H581	Q577-K579 PolarHBondContact O-N 2.89Å; K579-H581 PolarHBondContact O-N 3.44Å
580	F	36.4	Very low	41.6	Very low	172 Å²	172	157 Å²	157	75%	0.754	74%	0.738	S	S	*	*			trans	-71.8	26	155.9	-62.7	-69.3	0	0	0	112.4	T578 H582	T578-F580 PolarHBondContact O-N 2.76Å; F580-H582 VanDerWaalsContact C-N 3.27Å; F580-H582 PolarHBondContact O-N 3.28Å; F580-H582 PolarHBondContact O-ND1 3.31Å; F580-H582 VanDerWaalsContact O-ND1 3.1Å
581	H	41.5	Very low	41	Very low	150 Å²	150	153.6 Å²	153.6	69%	0.694	73%	0.728	S	S	*	*			trans	-52.9	103.2	144.6	-84.7	55	0	0	0	106.2	K579 H583	K579-H581 PolarHBondContact O-N 3.44Å; H581-H583 PolarHBondContact O-N 2.78Å
582	H	42.3	Very low	40.6	Very low	158 Å²	158	154.6 Å²	154.6	73%	0.731	73%	0.727	S	S	*	*			trans	-56.6	126.2	176.5	-73.6	33.2	0	0	0	108	F580 R584	F580-H582 VanDerWaalsContact C-N 3.27Å; F580-H582 PolarHBondContact O-N 3.28Å; F580-H582 PolarHBondContact O-ND1 3.31Å; F580-H582 VanDerWaalsContact O-ND1 3.1Å; H582-R584 PolarHBondContact O-N 3.22Å
583	H	39.7	Very low	40	Very low	178 Å²	178	154.7 Å²	154.7	82%	0.824	74%	0.736	S	S	*	*			trans	-70.4	62	165.1	-83.8	-56.7	0	0	0	110	H581 H585	H581-H583 PolarHBondContact O-N 2.78Å; H583-H585 PolarHBondContact O-N 3.12Å
584	R	37.8	Very low	40.2	Very low	184 Å²	184	150.1 Å²	150.1	69%	0.694	72%	0.72	S	S	*	*			trans	-63.3	106.7	152.3	-86.6	-168.1	170.2	-179.8	-1.7	105.8	H582 D586	H582-R584 PolarHBondContact O-N 3.22Å; R584-D586 VanDerWaalsContact C-N 3.27Å; R584-D586 PolarHBondContact O-N 3.26Å
585	H	44	Very low	40.9	Very low	135 Å²	135	151.3 Å²	151.3	63%	0.625	71%	0.709	S	S	*	*			trans	-66.5	88.3	171.3	-78.6	-88	0	0	0	109.2	H583 R587	H583-H585 PolarHBondContact O-N 3.12Å; H585-R587 HydrophobicContact CB-CB 4.42Å; H585-R587 PolarHBondContact O-N 2.7Å
586	D	41.9	Very low	41.6	Very low	143 Å²	143	147.7 Å²	147.7	77%	0.765	71%	0.709	S	S	*	*			trans	-67.6	72.3	155.8	-89.9	-43.9	0	0	0	108.5	R584 N588	R584-D586 VanDerWaalsContact C-N 3.27Å; R584-D586 PolarHBondContact O-N 3.26Å; D586-N588 PolarHBondContact O-N 3.04Å; D586-N588 VanDerWaalsContact O-N 3.12Å
587	R	42.7	Very low	42.3	Very low	187 Å²	187	149.6 Å²	149.6	71%	0.706	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-1.6	-173.8	-145.1	179.4	-75.6	-169	-3.9	112.6	H585	H585-R587 HydrophobicContact CB-CB 4.42Å; H585-R587 PolarHBondContact O-N 2.7Å
588	N	45.3	Very low	42.9	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-0.7	-171.5	-71.2	9.4	0	0	0	114.9	D586	D586-N588 PolarHBondContact O-N 3.04Å; D586-N588 VanDerWaalsContact O-N 3.12Å
589	N	43.1	Very low	43.3	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	70%	0.704	S	S	*	*			trans	-112.3	56	-178.4	-134.6	-3.7	0	0	0	112.1
590	K	39.2	Very low	44.2	Very low	198 Å²	198	145.3 Å²	145.3	86%	0.861	69%	0.691	S	S	*	*			trans	-121.4	33	-175.8	-140.1	-174.4	-175.1	-168.4	0	113.8
591	I	42.8	Very low	45.3	Very low	122 Å²	122	145.2 Å²	145.2	63%	0.626	69%	0.691	S	S	*	*	S	Bend	trans	-130.5	147.8	169.8	-47.8	88.5	0	0	0	108.2
592	F	40	Very low	46	Very low	131 Å²	131	145.9 Å²	145.9	58%	0.575	69%	0.687	S	S	*	*			trans	73.5	42.1	178.3	-57.2	-69.7	0	0	0	118.3	T594	F592-T594 VanDerWaalsContact C-N 3.29Å; F592-T594 HydrophobicContact CD1-CG2 3.88Å; F592-T594 PolarHBondContact O-N 3.25Å
593	N	36.4	Very low	46.9	Very low	175 Å²	175	142.6 Å²	142.6	94%	0.936	67%	0.672	S	S	*	*			trans	-71	97.1	131.1	-88.9	-3.3	0	0	0	107.2
594	T	46.8	Very low	48	Very low	72 Å²	72	141.9 Å²	141.9	44%	0.442	67%	0.667	S	S	.	*			trans	-137.7	144.4	172.9	50.4	0	0	0	0	110.1	F592	F592-T594 VanDerWaalsContact C-N 3.29Å; F592-T594 HydrophobicContact CD1-CG2 3.88Å; F592-T594 PolarHBondContact O-N 3.25Å
595	D	48.2	Very low	49.2	Very low	94 Å²	94	141.1 Å²	141.1	50%	0.503	67%	0.668	S	S	.	*			trans	-53.6	146.4	-162.3	-40.8	-82.8	0	0	0	114.4	K597 K598	D595-K597 PolarHBondContact O-N 3.13Å; D595-K598 PolarHBondContact O-N 3.28Å; D595-K598 IonicContact OD2-NZ 3Å; D595-K598 PolarHBondContact OD2-NZ 2.65Å
596	P	51.1	Low	50.3	Low	114 Å²	114	137.1 Å²	137.1	74%	0.74	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-55.1	-29.2	176.7	21	-32.1	0	0	0	112.7	K598 K599	P596-K598 PolarHBondContact O-N 2.91Å; P596-K598 VanDerWaalsContact O-N 3.13Å; P596-K599 PolarHBondContact O-N 3.04Å
597	K	53.1	Low	51.4	Low	188 Å²	188	135.8 Å²	135.8	82%	0.817	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-65.8	-7.2	175.4	-62.6	-174.8	178.4	-178.3	0	115	D595	D595-K597 PolarHBondContact O-N 3.13Å
598	K	51.4	Low	52.6	Low	121 Å²	121	133.9 Å²	133.9	53%	0.526	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-96.9	-12.5	175.9	-81.1	170	180	149.2	0	114.3	D595 P596	D595-K598 PolarHBondContact O-N 3.28Å; D595-K598 IonicContact OD2-NZ 3Å; D595-K598 PolarHBondContact OD2-NZ 2.65Å; P596-K598 PolarHBondContact O-N 2.91Å; P596-K598 VanDerWaalsContact O-N 3.13Å
599	K	47.3	Very low	53.6	Low	128 Å²	128	133.9 Å²	133.9	56%	0.557	64%	0.639	S	S	*	*	H	α-helix	trans	-68.9	-48.4	-176.8	-165.2	169.6	-175	-82	0	111.9	P596 K601 R602 E603	P596-K599 PolarHBondContact O-N 3.04Å; K599-K601 VanDerWaalsContact C-N 3.25Å; K599-K601 PolarHBondContact O-N 3.28Å; K599-R602 WeakPolarHBondContact O-CA 3.41Å; K599-R602 WeakPolarHBondContact O-CB 3.5Å; K599-R602 PolarHBondContact O-N 3.07Å; K599-E603 IonicContact NZ-OE1 3.28Å; K599-E603 PolarHBondContact NZ-OE1 2.88Å; K599-E603 PolarHBondContact O-N 3.16Å
600	D	56.7	Low	54.4	Low	101 Å²	101	133 Å²	133	54%	0.54	63%	0.63	S	S	.	*	H	α-helix	trans	-59.6	-35.1	-178.1	-47	-3	0	0	0	112.4	R602 K604	D600-R602 VanDerWaalsContact C-N 3.29Å; D600-R602 PolarHBondContact O-N 2.92Å; D600-K604 WeakPolarHBondContact O-CB 3.48Å; D600-K604 WeakPolarHBondContact O-CG 3.34Å; D600-K604 PolarHBondContact O-N 3.46Å
601	K	59.1	Low	55.5	Low	170 Å²	170	130.7 Å²	130.7	74%	0.739	62%	0.62	S	S	*	*	H	α-helix	trans	-72.2	-20.1	176.3	-120	175.6	-176.4	175.3	0	112.9	K599 K605	K599-K601 VanDerWaalsContact C-N 3.25Å; K599-K601 PolarHBondContact O-N 3.28Å; K601-K605 WeakPolarHBondContact O-CG 3.46Å
602	R	57.7	Low	56.3	Low	165 Å²	165	131.5 Å²	131.5	62%	0.623	62%	0.623	S	S	*	*	H	α-helix	trans	-83.9	-45	171.6	-113.9	177.6	174.8	166.8	-1.8	111.1	K599 D600 K605 A606	K599-R602 WeakPolarHBondContact O-CA 3.41Å; K599-R602 WeakPolarHBondContact O-CB 3.5Å; K599-R602 PolarHBondContact O-N 3.07Å; D600-R602 VanDerWaalsContact C-N 3.29Å; D600-R602 PolarHBondContact O-N 2.92Å; R602-K605 PolarHBondContact O-N 3.04Å; R602-K605 VanDerWaalsContact O-N 3.16Å; R602-A606 PolarHBondContact O-N 3Å
603	E	59.7	Low	57.2	Low	88 Å²	88	133.6 Å²	133.6	41%	0.411	63%	0.632	S	S	.	*	H	α-helix	trans	-65	-44.3	177.5	-74.7	169	-170.7	0	0	111.9	K599 K605 A606 M607	K599-E603 IonicContact NZ-OE1 3.28Å; K599-E603 PolarHBondContact NZ-OE1 2.88Å; K599-E603 PolarHBondContact O-N 3.16Å; E603-K605 PolarHBondContact O-N 3.22Å; E603-A606 WeakPolarHBondContact O-CB 3.36Å; E603-A606 PolarHBondContact O-N 3.24Å; E603-M607 WeakPolarHBondContact O-CG 3.47Å; E603-M607 PolarHBondContact O-N 3.44Å
604	K	63.1	Low	58.2	Low	164 Å²	164	132.9 Å²	132.9	71%	0.713	62%	0.623	S	S	*	*	H	α-helix	trans	-62.5	-26.9	172.5	-74.2	-177.4	174.5	180	0	113.6	D600 K608	D600-K604 WeakPolarHBondContact O-CB 3.48Å; D600-K604 WeakPolarHBondContact O-CG 3.34Å; D600-K604 PolarHBondContact O-N 3.46Å; K604-K608 WeakPolarHBondContact O-CB 3.41Å; K604-K608 PolarHBondContact O-N 3.3Å
605	K	63.7	Low	58.4	Low	167 Å²	167	137.3 Å²	137.3	73%	0.726	64%	0.636	S	S	*	*	H	α-helix	trans	-80.2	-28.8	172	-84.3	-167.6	173	-168.7	0	113.2	K601 R602 E603 K609	K601-K605 WeakPolarHBondContact O-CG 3.46Å; R602-K605 PolarHBondContact O-N 3.04Å; R602-K605 VanDerWaalsContact O-N 3.16Å; E603-K605 PolarHBondContact O-N 3.22Å; K605-K609 PolarHBondContact O-N 3.44Å
606	A	66.5	Low	58.3	Low	52 Å²	52	140.7 Å²	140.7	43%	0.43	65%	0.648	S	S	.	*	H	α-helix	trans	-67.8	-53.4	172.8	0	0	0	0	0	110.8	R602 E603 K608 K609 E610	R602-A606 PolarHBondContact O-N 3Å; E603-A606 WeakPolarHBondContact O-CB 3.36Å; E603-A606 PolarHBondContact O-N 3.24Å; A606-K608 VanDerWaalsContact C-N 3.28Å; A606-K608 PolarHBondContact O-N 3.01Å; A606-K609 WeakPolarHBondContact O-CA 3.37Å; A606-K609 WeakPolarHBondContact O-CB 3.44Å; A606-K609 PolarHBondContact O-N 2.86Å; A606-E610 PolarHBondContact O-N 2.93Å
607	M	64.5	Low	57.7	Low	114 Å²	114	141 Å²	141	56%	0.562	65%	0.65	S	S	*	*	H	α-helix	trans	-58.4	-37.3	178.8	-65.3	172.9	179.2	0	0	112.6	E603 K609 K611	E603-M607 WeakPolarHBondContact O-CG 3.47Å; E603-M607 PolarHBondContact O-N 3.44Å; M607-K609 VanDerWaalsContact C-N 3.29Å; M607-K609 PolarHBondContact O-N 3.25Å; M607-K611 PolarHBondContact O-N 3.25Å; M607-K611 VanDerWaalsContact O-N 3.09Å
608	K	69.3	Low	57.2	Low	148 Å²	148	138.1 Å²	138.1	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-70.3	-22.4	174.8	-167	168.5	-176.1	176.6	0	113.1	K604 A606 M612	K604-K608 WeakPolarHBondContact O-CB 3.41Å; K604-K608 PolarHBondContact O-N 3.3Å; A606-K608 VanDerWaalsContact C-N 3.28Å; A606-K608 PolarHBondContact O-N 3.01Å; K608-M612 WeakPolarHBondContact O-CG 3.48Å
609	K	65.6	Low	56.5	Low	150 Å²	150	141.1 Å²	141.1	65%	0.652	66%	0.661	S	S	*	*	H	α-helix	trans	-86.9	-28.4	176.7	-163.5	170	-175.1	176.7	0	112.7	K605 A606 M607 K613	K605-K609 PolarHBondContact O-N 3.44Å; A606-K609 WeakPolarHBondContact O-CA 3.37Å; A606-K609 WeakPolarHBondContact O-CB 3.44Å; A606-K609 PolarHBondContact O-N 2.86Å; M607-K609 VanDerWaalsContact C-N 3.29Å; M607-K609 PolarHBondContact O-N 3.25Å; K609-K613 PolarHBondContact O-N 3.29Å
610	E	61.1	Low	55.9	Low	131 Å²	131	143.2 Å²	143.2	61%	0.612	68%	0.678	S	S	*	*	H	α-helix	trans	-70.1	-49.6	169.2	-72.2	170.5	139.2	0	0	110.8	A606 M612 K613 E614	A606-E610 PolarHBondContact O-N 2.93Å; E610-M612 PolarHBondContact O-N 3.17Å; E610-K613 PolarHBondContact O-N 2.85Å; E610-E614 PolarHBondContact O-N 3.09Å
611	K	62.1	Low	55	Low	150 Å²	150	143.8 Å²	143.8	65%	0.652	69%	0.685	S	S	*	*	H	α-helix	trans	-64.2	-2.3	174.3	-68.6	-166.6	173.5	-163.3	0	115.5	M607	M607-K611 PolarHBondContact O-N 3.25Å; M607-K611 VanDerWaalsContact O-N 3.09Å
612	M	58.9	Low	54.1	Low	138 Å²	138	144.1 Å²	144.1	68%	0.68	69%	0.689	S	S	*	*	H	α-helix	trans	-102.3	-17	169	-81.3	-179.8	139.1	0	0	113.5	K608 E610	K608-M612 WeakPolarHBondContact O-CG 3.48Å; E610-M612 PolarHBondContact O-N 3.17Å
613	K	59.8	Low	52.9	Low	175 Å²	175	140.7 Å²	140.7	76%	0.761	69%	0.69	S	S	*	*	H	α-helix	trans	-83.6	-26.6	171	-75.4	-173.7	166.1	-162.3	0	112.8	K609 E610 K615	K609-K613 PolarHBondContact O-N 3.29Å; E610-K613 PolarHBondContact O-N 2.85Å; K613-K615 PolarHBondContact O-N 2.94Å; K613-K615 VanDerWaalsContact O-N 3.17Å
614	E	55.8	Low	51.7	Low	161 Å²	161	143.4 Å²	143.4	75%	0.752	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	2.2	-177.2	-145.3	164.5	-147.7	0	0	114.1	E610	E610-E614 PolarHBondContact O-N 3.09Å
615	K	52.3	Low	50.5	Low	165 Å²	165	141.6 Å²	141.6	72%	0.717	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	10.6	-170.2	-76.7	-155.5	168.4	-157.4	0	116.5	K613	K613-K615 PolarHBondContact O-N 2.94Å; K613-K615 VanDerWaalsContact O-N 3.17Å
616	H	46.7	Very low	49.3	Very low	164 Å²	164	140.2 Å²	140.2	76%	0.759	71%	0.711	S	S	*	*			trans	-131.3	90.7	173.5	-85.7	-77.4	0	0	0	112.6	V618	H616-V618 PolarHBondContact O-N 3.35Å
617	P	37.9	Very low	48.1	Very low	121 Å²	121	144.6 Å²	144.6	79%	0.786	73%	0.727	S	S	*	*			trans	-81.3	92.8	164.4	32.6	-30.8	0	0	0	109.8
618	V	42.7	Very low	46.8	Very low	128 Å²	128	143.9 Å²	143.9	78%	0.776	73%	0.734	S	S	*	*			trans	-83.5	124.8	167.5	-179.1	0	0	0	0	108.3	H616	H616-V618 PolarHBondContact O-N 3.35Å
619	K	35.9	Very low	45.2	Very low	184 Å²	184	143.4 Å²	143.4	80%	0.8	74%	0.738	S	S	*	*			trans	-71.1	143.8	-174.2	-58.3	176.6	-177.2	178.3	0	111.2
620	L	34.3	Very low	43.8	Very low	171 Å²	171	140.5 Å²	140.5	90%	0.895	74%	0.736	S	S	*	*			trans	-130.2	118.4	160.5	-82.8	169	0	0	0	107.8
621	T	39.4	Very low	42.7	Very low	114 Å²	114	143.1 Å²	143.1	70%	0.699	75%	0.746	S	S	*	*			trans	-134.5	100.5	-178.8	47.4	0	0	0	0	110.2
622	H	39.6	Very low	41.5	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	76%	0.755	S	S	*	*			trans	49.9	153.9	148.9	-59.7	-69.9	0	0	0	123.6
623	S	33.1	Very low	40.3	Very low	94 Å²	94	146.1 Å²	146.1	66%	0.657	76%	0.759	S	S	*	*			trans	76.5	104	146.6	45.5	0	0	0	0	121.5
624	N	34	Very low	39.2	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	75%	0.752	S	S	*	*				82.8	148.9	121.7	-56.2	-2.9	0	0	0	120.4
625	T	38.6	Very low	38.4	Very low	126 Å²	126	143.1 Å²	143.1	77%	0.773	76%	0.755	S	S	*	*			trans	60.1	149	167.2	70.6	0	0	0	0	118
626	D	36.8	Very low	37.7	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	76%	0.764	S	S	*	*			cis	-158.8	-166.3	-36.5	-104.9	-43.5	0	0	0	108.2
627	D	41.3	Very low	37.2	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	77%	0.769	S	S	*	*			trans	65.4	83.9	153.4	-67.6	-31.3	0	0	0	122.3
628	S	38.6	Very low	37.2	Very low	99 Å²	99	147 Å²	147	69%	0.692	77%	0.773	S	S	*	*				83	159.9	112.7	88.7	0	0	0	0	123.2
629	N	35.5	Very low	36.9	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	78%	0.775	S	S	*	*			trans	68.3	76.7	148.3	-80.8	-47.7	0	0	0	124.1
630	S	35.1	Very low	36.9	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	78%	0.775	S	S	*	*				89.6	156.4	107.9	87	0	0	0	0	123.1
631	K	38.8	Very low	36.8	Very low	186 Å²	186	143.1 Å²	143.1	81%	0.809	77%	0.77	S	S	*	*			trans	58.6	96.2	148.9	-70.7	166.3	-179.3	168.1	0	120.5
632	K	36.4	Very low	36.7	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	78%	0.776	S	S	*	*				160	114.8	117.3	-88.4	163	-178.8	174.8	0	111.2
633	M	34.8	Very low	36.6	Very low	159 Å²	159	148.7 Å²	148.7	78%	0.783	78%	0.782	S	S	*	*				77.9	91.8	86	-76.2	-173.3	70.5	0	0	116.7
634	S	36.2	Very low	36.8	Very low	86 Å²	86	153.7 Å²	153.7	60%	0.601	79%	0.792	S	S	*	*				59.8	146.6	128.6	77	0	0	0	0	122.6
635	K	38.6	Very low	37	Very low	187 Å²	187	154.4 Å²	154.4	81%	0.813	80%	0.796	S	S	*	*			trans	84.3	104.4	162.7	-53.2	166.5	-173.2	173.6	0	116.7
636	N	38.2	Very low	37.1	Very low	170 Å²	170	158.1 Å²	158.1	91%	0.909	80%	0.801	S	S	*	*				-157.8	122.3	106.9	-100.3	-32.8	0	0	0	110.8
637	N	35.1	Very low	37.2	Very low	163 Å²	163	160.6 Å²	160.6	87%	0.872	81%	0.805	S	S	*	*			trans	-142.2	98.8	-174.7	-156.6	3.1	0	0	0	109.1
638	K	38	Very low	37	Very low	199 Å²	199	163.8 Å²	163.8	87%	0.865	81%	0.812	S	S	*	*			trans	-163.5	147.1	177.2	-128.2	170.7	-172.8	175.3	0	112.1
639	V	37.7	Very low	37.2	Very low	134 Å²	134	168.3 Å²	168.3	81%	0.812	82%	0.82	S	S	*	*			trans	73.9	122.5	171.6	-172.7	0	0	0	0	113.7
640	L	35	Very low	37.7	Very low	154 Å²	154	170.1 Å²	170.1	81%	0.806	83%	0.828	S	S	*	*			cis	-143.1	129.7	7.9	-170.8	71.1	0	0	0	111.9
641	S	31.6	Very low	37.7	Very low	113 Å²	113	178.3 Å²	178.3	79%	0.79	86%	0.856	S	S	*	*			trans	-126.1	112.9	169.5	54.8	0	0	0	0	111
642	K	37.3	Very low	37.6	Very low	192 Å²	192	178 Å²	178	84%	0.835	86%	0.859	S	S	*	*			trans	-170.2	93.9	174.7	-111	160.1	-174.5	178.2	0	112.7
643	K	37.7	Very low	37.7	Very low	215 Å²	215	177.2 Å²	177.2	94%	0.935	86%	0.86	S	S	*	*			trans	169.1	89.2	142.6	-94.4	163	-177.2	175.1	0	112.7
644	K	37.2	Very low	37.8	Very low	200 Å²	200	178.2 Å²	178.2	87%	0.87	86%	0.864	S	S	*	*			trans	-116.5	171.8	143.7	-80	-174.8	174.8	179.4	0	107.5
645	N	38	Very low	37.9	Very low	158 Å²	158	183.6 Å²	183.6	85%	0.845	88%	0.879	S	S	*	*			trans	86.7	88.5	171.8	-53.3	-4.5	0	0	0	118
646	K	40.4	Very low	37.9	Very low	204 Å²	204	183.4 Å²	183.4	89%	0.887	88%	0.884	S	S	*	*			trans	178.9	131.5	143.7	-102.7	170.6	-177.7	177.9	0	106.9
647	K	40.2	Very low	37.8	Very low	191 Å²	191	184.3 Å²	184.3	83%	0.83	88%	0.882	S	S	*	*			cis	-135.5	150.2	-2.3	-69.3	177.4	173	-177.2	0	110
648	K	37.3	Very low	38	Very low	211 Å²	211	185.9 Å²	185.9	92%	0.917	88%	0.883	S	S	*	*			trans	-127.5	110.6	149	-114	-166.4	177.6	-169.9	0	106.5
649	K	41.1	Very low	38	Very low	195 Å²	195	184.8 Å²	184.8	85%	0.848	88%	0.884	S	S	*	*			trans	161.7	92.7	168.3	-101.7	-164.7	173.5	-164.7	0	108
650	I	46.2	Very low	38.1	Very low	175 Å²	175	189.1 Å²	189.1	90%	0.897	89%	0.89	S	S	*	*				-130.6	152.3	118.6	-60.1	-171.6	0	0	0	104.5
651	E	34.9	Very low	38.4	Very low	261 Å²	261	192.3 Å²	192.3	100%	1.22	90%	0.898	S	S	*	*			trans	-81	0	-178	-164.2	159	-158.7	0	0	111.6

Retrieved 651 of 651 residues in 967.3 ms (Link to these results)

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