A0A096LUR5_POEFO Loading...

Zinc finger and BTB domain containing 18

AlphaFold DB , UniProt , Accession A0A096LUR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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	32.8	Very low	36.3	Very low	235 Å²	235	143.9 Å²	143.9	100%	1.158	71%	0.709	S	S	*	*				0	116.9	0	-67.1	-166.2	-64.1	0	0	106.9
2	E	28.7	Very low	36.5	Very low	195 Å²	195	141.3 Å²	141.3	91%	0.911	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-86	149.3	176.1	-67.2	158.2	142.7	0	0	109.4
3	F	32.8	Very low	36.5	Very low	181 Å²	181	134.5 Å²	134.5	79%	0.794	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-91.3	142.5	174.7	-80.2	-98.7	0	0	0	109.6	D5	F3-D5 PolarHBondContact O-N 2.9Å
4	P	42.8	Very low	36.6	Very low	95 Å²	95	132.7 Å²	132.7	62%	0.617	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-72.6	118.8	179.3	-14.7	29.5	0	0	0	111.9	H6	P4-H6 PolarHBondContact O-N 3.35Å
5	D	37.8	Very low	36.8	Very low	94 Å²	94	128.1 Å²	128.1	50%	0.503	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	0.8	-177.7	-73.8	-67.6	0	0	0	116	F3 S7 R8 H9	F3-D5 PolarHBondContact O-N 2.9Å; D5-S7 PolarHBondContact O-N 3.02Å; D5-R8 PolarHBondContact O-N 2.82Å; D5-R8 IonicContact OD1-CZ 3.65Å; D5-R8 IonicContact OD1-NH1 3.35Å; D5-R8 PolarHBondContact OD1-NH1 3.46Å; D5-H9 PolarHBondContact O-N 3.33Å; D5-H9 VanDerWaalsContact O-N 3.12Å
6	H	34.5	Very low	36.8	Very low	159 Å²	159	126.9 Å²	126.9	74%	0.736	64%	0.638	S	S	*	*	H	α-helix	trans	-58.9	-30.5	178.5	-73.8	52.9	0	0	0	112.9	P4 L10	P4-H6 PolarHBondContact O-N 3.35Å; H6-L10 WeakPolarHBondContact O-CB 3.29Å; H6-L10 PolarHBondContact O-N 2.62Å
7	S	36.6	Very low	36.9	Very low	78 Å²	78	128.6 Å²	128.6	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-69.1	-39.1	177.6	57	0	0	0	0	112.9	D5 L11	D5-S7 PolarHBondContact O-N 3.02Å; S7-L11 WeakPolarHBondContact O-CG 3.21Å; S7-L11 PolarHBondContact O-N 3.29Å
8	R	40	Very low	37.1	Very low	167 Å²	167	133.5 Å²	133.5	63%	0.63	65%	0.653	S	S	*	*	H	α-helix	trans	-67.9	-46.3	174.6	-67.7	-176.3	178.4	119.7	-3.1	110.9	D5 L10 L11 Q12	D5-R8 PolarHBondContact O-N 2.82Å; D5-R8 IonicContact OD1-CZ 3.65Å; D5-R8 IonicContact OD1-NH1 3.35Å; D5-R8 PolarHBondContact OD1-NH1 3.46Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.8Å; R8-L11 PolarHBondContact O-N 3.07Å; R8-Q12 WeakPolarHBondContact O-CB 3.35Å; R8-Q12 PolarHBondContact O-N 2.91Å
9	H	38.6	Very low	37.1	Very low	133 Å²	133	135.3 Å²	135.3	62%	0.616	66%	0.66	S	S	*	*	H	α-helix	trans	-61.5	-37	-179.7	-160.7	-45.1	0	0	0	112.2	D5 C13	D5-H9 PolarHBondContact O-N 3.33Å; D5-H9 VanDerWaalsContact O-N 3.12Å; H9-C13 PolarHBondContact ND1-SG 2.85Å; H9-C13 VanDerWaalsContact ND1-SG 3.4Å; H9-C13 PolarHBondContact O-N 3.31Å; H9-C13 VanDerWaalsContact O-N 3.11Å; H9-C13 PolarHBondContact O-SG 3.31Å
10	L	36.1	Very low	36.9	Very low	122 Å²	122	137.8 Å²	137.8	64%	0.639	67%	0.67	S	S	*	*	H	α-helix	trans	-66.6	-45.5	176	-159.1	81.8	0	0	0	112.1	H6 R8 Q12 L14	H6-L10 WeakPolarHBondContact O-CB 3.29Å; H6-L10 PolarHBondContact O-N 2.62Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.8Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.17Å
11	L	38.2	Very low	36.8	Very low	124 Å²	124	134.3 Å²	134.3	65%	0.649	67%	0.669	S	S	*	*	H	α-helix	trans	-64.8	-37.2	177	-74.4	168.1	0	0	0	112.1	S7 R8 L14 S15	S7-L11 WeakPolarHBondContact O-CG 3.21Å; S7-L11 PolarHBondContact O-N 3.29Å; R8-L11 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.31Å; L11-S15 PolarHBondContact O-N 3.19Å
12	Q	39.6	Very low	36.6	Very low	113 Å²	113	132.3 Å²	132.3	53%	0.528	66%	0.655	S	S	.	*	H	α-helix	trans	-68.5	-46.3	179.2	-175.1	154.2	-15.8	0	0	111.9	R8 L10 L14 S15 E16	R8-Q12 WeakPolarHBondContact O-CB 3.35Å; R8-Q12 PolarHBondContact O-N 2.91Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; Q12-L14 VanDerWaalsContact C-N 3.26Å; Q12-L14 PolarHBondContact O-N 3.14Å; Q12-S15 WeakPolarHBondContact O-CA 3.34Å; Q12-S15 WeakPolarHBondContact O-CB 3.43Å; Q12-S15 PolarHBondContact O-N 3.27Å; Q12-S15 PolarHBondContact O-OG 3.08Å; Q12-E16 HydrophobicContact CG-CG 4.45Å; Q12-E16 VanDerWaalsContact CG-OE1 3.29Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.49Å; Q12-E16 PolarHBondContact NE2-OE1 2.7Å; Q12-E16 WeakPolarHBondContact O-CG 3.37Å; Q12-E16 PolarHBondContact O-N 3.27Å
13	C	35.9	Very low	36.8	Very low	53 Å²	53	131.5 Å²	131.5	36%	0.358	66%	0.656	S	S	.	*	H	α-helix	trans	-58.6	-35.9	173.4	-66.8	0	0	0	0	113.1	H9 S15 Q17	H9-C13 PolarHBondContact ND1-SG 2.85Å; H9-C13 VanDerWaalsContact ND1-SG 3.4Å; H9-C13 PolarHBondContact O-N 3.31Å; H9-C13 VanDerWaalsContact O-N 3.11Å; H9-C13 PolarHBondContact O-SG 3.31Å; C13-S15 VanDerWaalsContact C-N 3.33Å; C13-Q17 PolarHBondContact O-N 3.46Å
14	L	37.4	Very low	36.6	Very low	109 Å²	109	128 Å²	128	57%	0.571	65%	0.652	S	S	*	*	H	α-helix	trans	-69.6	-28.3	174.6	-71.9	168.8	0	0	0	112.9	L10 L11 Q12	L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 3.31Å; Q12-L14 VanDerWaalsContact C-N 3.26Å; Q12-L14 PolarHBondContact O-N 3.14Å
15	S	39.7	Very low	35.8	Very low	64 Å²	64	131.2 Å²	131.2	45%	0.448	67%	0.665	S	S	.	*	H	α-helix	trans	-76.2	-39.3	173.8	74.5	0	0	0	0	112.6	L11 Q12 C13 R18	L11-S15 PolarHBondContact O-N 3.19Å; Q12-S15 WeakPolarHBondContact O-CA 3.34Å; Q12-S15 WeakPolarHBondContact O-CB 3.43Å; Q12-S15 PolarHBondContact O-N 3.27Å; Q12-S15 PolarHBondContact O-OG 3.08Å; C13-S15 VanDerWaalsContact C-N 3.33Å; S15-R18 WeakPolarHBondContact O-CB 3.48Å; S15-R18 PolarHBondContact O-N 2.56Å; S15-R18 VanDerWaalsContact O-N 3.17Å
16	E	37.3	Very low	35.3	Very low	108 Å²	108	131.4 Å²	131.4	51%	0.505	67%	0.673	S	S	.	*	H	α-helix	trans	-68.7	-36.7	-178.2	-71.6	165.9	179	0	0	111.9	Q12 R18 H19	Q12-E16 HydrophobicContact CG-CG 4.45Å; Q12-E16 VanDerWaalsContact CG-OE1 3.29Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.49Å; Q12-E16 PolarHBondContact NE2-OE1 2.7Å; Q12-E16 WeakPolarHBondContact O-CG 3.37Å; Q12-E16 PolarHBondContact O-N 3.27Å; E16-R18 PolarHBondContact O-N 3.13Å; E16-H19 PolarHBondContact O-N 2.64Å
17	Q	38.7	Very low	35.4	Very low	157 Å²	157	131.8 Å²	131.8	73%	0.734	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-63.5	-18.7	173.2	-75	-171.3	-13.9	0	0	114.2	C13 H19	C13-Q17 PolarHBondContact O-N 3.46Å; Q17-H19 VanDerWaalsContact C-N 3.29Å; Q17-H19 PolarHBondContact O-N 3.23Å
18	R	39.7	Very low	35.4	Very low	216 Å²	216	134.1 Å²	134.1	82%	0.815	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-75.5	-14.9	-179.2	-171.2	175.7	167.2	-165.1	-6.1	113.6	S15 E16	S15-R18 WeakPolarHBondContact O-CB 3.48Å; S15-R18 PolarHBondContact O-N 2.56Å; S15-R18 VanDerWaalsContact O-N 3.17Å; E16-R18 PolarHBondContact O-N 3.13Å
19	H	37.8	Very low	34.9	Very low	168 Å²	168	133.9 Å²	133.9	78%	0.778	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-94.2	-4.7	-172.3	-81.8	-74.5	0	0	0	115.9	E16 Q17 G21	E16-H19 PolarHBondContact O-N 2.64Å; Q17-H19 VanDerWaalsContact C-N 3.29Å; Q17-H19 PolarHBondContact O-N 3.23Å; H19-G21 PolarHBondContact O-N 2.9Å
20	Q	34.1	Very low	34.7	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	72%	0.715	S	S	*	*	S	Bend	trans	-91.4	100.4	167.5	-70.1	-173.4	-5.4	0	0	109.3
21	G	34.9	Very low	34.6	Very low	64 Å²	64	132 Å²	132	66%	0.66	71%	0.712	S	S	*	*			trans	-77.7	141.6	-166.7	0	0	0	0	0	114.8	H19	H19-G21 PolarHBondContact O-N 2.9Å
22	F	26.8	Very low	34.9	Very low	194 Å²	194	131.1 Å²	131.1	85%	0.851	71%	0.708	S	S	*	*			trans	-130.8	99.1	153	-113.6	-89.2	0	0	0	108.4
23	L	34.6	Very low	34.9	Very low	177 Å²	177	129.5 Å²	129.5	93%	0.927	71%	0.714	S	S	*	*			trans	-87.5	110.1	163.9	-74.5	171.2	0	0	0	107.4
24	C	27.4	Very low	35	Very low	107 Å²	107	134.8 Å²	134.8	72%	0.723	73%	0.733	S	S	*	*			trans	-129.2	122	162.5	-72.1	0	0	0	0	108
25	D	26.8	Very low	34.9	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	74%	0.742	S	S	*	*			trans	-75.2	168.6	-179.1	-96.3	-56.8	0	0	0	113.1
26	S	25.8	Very low	34.7	Very low	97 Å²	97	142.8 Å²	142.8	68%	0.678	75%	0.751	S	S	*	*			trans	73.1	88.9	161.9	-157.6	0	0	0	0	117.5
27	M	37.7	Very low	34.7	Very low	167 Å²	167	140.4 Å²	140.4	82%	0.823	75%	0.749	S	S	*	*				75.5	139.8	125.7	-161.7	162.8	53.6	0	0	118.9
28	V	35.9	Very low	34.8	Very low	127 Å²	127	138.9 Å²	138.9	77%	0.77	74%	0.742	S	S	*	*			trans	77.4	147.3	-174.2	-164	0	0	0	0	113.8
29	L	31	Very low	35	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	74%	0.737	S	S	*	*			trans	69.7	55.8	-179.7	-51.9	-173.2	0	0	0	118.5	G31	L29-G31 PolarHBondContact O-N 3.06Å
30	V	32.7	Very low	35	Very low	161 Å²	161	132.2 Å²	132.2	98%	0.976	72%	0.722	S	S	*	*			trans	-80	97.8	153.9	179.5	0	0	0	0	108.7
31	G	34.2	Very low	35.3	Very low	56 Å²	56	127.6 Å²	127.6	58%	0.577	71%	0.706	S	S	*	*			trans	-137.9	138	-174.3	0	0	0	0	0	115.2	L29 A33	L29-G31 PolarHBondContact O-N 3.06Å; G31-A33 VanDerWaalsContact C-N 3.33Å; G31-A33 PolarHBondContact O-N 3.44Å
32	D	44.8	Very low	35.7	Very low	105 Å²	105	128.7 Å²	128.7	56%	0.561	70%	0.696	S	S	*	*	S	Bend	trans	57.5	-24	153.6	-91.4	48.1	0	0	0	123.3	R36	D32-R36 WeakPolarHBondContact O-CD 3.48Å; D32-R36 WeakPolarHBondContact O-CG 3.27Å; D32-R36 IonicContact OD2-CZ 2.73Å; D32-R36 IonicContact OD2-NE 3.82Å; D32-R36 PolarHBondContact OD2-NE 3.27Å; D32-R36 IonicContact OD2-NH2 2.55Å; D32-R36 PolarHBondContact OD2-NH2 2.88Å
33	A	39	Very low	36.4	Very low	78 Å²	78	122 Å²	122	65%	0.645	68%	0.678	S	S	*	*	H	α-helix	trans	-72.4	-63.5	-174.6	0	0	0	0	0	113.4	G31 F35 R36 A37	G31-A33 VanDerWaalsContact C-N 3.33Å; G31-A33 PolarHBondContact O-N 3.44Å; A33-F35 PolarHBondContact O-N 3.14Å; A33-R36 PolarHBondContact O-N 3.3Å; A33-A37 PolarHBondContact O-N 3.03Å
34	Q	38.1	Very low	36.5	Very low	165 Å²	165	117.3 Å²	117.3	77%	0.771	66%	0.659	S	S	*	*	H	α-helix	trans	-67.3	-35	-171.1	-66.6	177.1	-9.6	0	0	113	R36 A37 H38	Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.08Å; Q34-A37 PolarHBondContact O-N 3.34Å; Q34-H38 PolarHBondContact O-N 3.18Å; Q34-H38 VanDerWaalsContact O-N 3.07Å
35	F	36.7	Very low	37.2	Very low	170 Å²	170	115.8 Å²	115.8	75%	0.746	65%	0.649	S	S	*	*	H	α-helix	trans	-64.6	-34.9	179.9	-126.6	-89	0	0	0	112.7	A33 R39	A33-F35 PolarHBondContact O-N 3.14Å; F35-R39 WeakPolarHBondContact O-CB 3.34Å; F35-R39 PolarHBondContact O-N 3.17Å; F35-R39 VanDerWaalsContact O-N 3.1Å
36	R	35.6	Very low	37.9	Very low	171 Å²	171	111 Å²	111	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-69.5	-39.8	176.3	-69.6	174.2	-176.6	-129.2	4.8	111.3	D32 A33 Q34 R39 A40	D32-R36 WeakPolarHBondContact O-CD 3.48Å; D32-R36 WeakPolarHBondContact O-CG 3.27Å; D32-R36 IonicContact OD2-CZ 2.73Å; D32-R36 IonicContact OD2-NE 3.82Å; D32-R36 PolarHBondContact OD2-NE 3.27Å; D32-R36 IonicContact OD2-NH2 2.55Å; D32-R36 PolarHBondContact OD2-NH2 2.88Å; A33-R36 PolarHBondContact O-N 3.3Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.08Å; R36-R39 PolarHBondContact O-N 2.89Å; R36-A40 WeakPolarHBondContact O-CB 3.48Å; R36-A40 PolarHBondContact O-N 3.39Å
37	A	37.3	Very low	38.5	Very low	57 Å²	57	112.4 Å²	112.4	47%	0.471	63%	0.626	S	S	.	*	H	α-helix	trans	-62.7	-51.4	175.3	0	0	0	0	0	112	A33 Q34 R39 A40 V41	A33-A37 PolarHBondContact O-N 3.03Å; Q34-A37 PolarHBondContact O-N 3.34Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 2.8Å; A37-A40 PolarHBondContact O-N 3.21Å; A37-V41 WeakPolarHBondContact O-CG2 3.44Å; A37-V41 PolarHBondContact O-N 3.07Å
38	H	40	Very low	38.5	Very low	125 Å²	125	112.4 Å²	112.4	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-56.7	-43.5	176.1	-90.2	-105.8	0	0	0	112.3	Q34 A40 V41 L42	Q34-H38 PolarHBondContact O-N 3.18Å; Q34-H38 VanDerWaalsContact O-N 3.07Å; H38-A40 PolarHBondContact O-N 2.99Å; H38-V41 PolarHBondContact O-N 2.86Å; H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 VanDerWaalsContact O-CG 3.3Å; H38-L42 WeakPolarHBondContact O-CG 3.38Å; H38-L42 PolarHBondContact O-N 3.17Å
39	R	43.5	Very low	38.8	Very low	189 Å²	189	112.4 Å²	112.4	71%	0.713	61%	0.608	S	S	*	*	H	α-helix	trans	-67.4	-35	179.7	-163	174.1	-173	122.7	0.7	112.9	F35 R36 A37 A43	F35-R39 WeakPolarHBondContact O-CB 3.34Å; F35-R39 PolarHBondContact O-N 3.17Å; F35-R39 VanDerWaalsContact O-N 3.1Å; R36-R39 PolarHBondContact O-N 2.89Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 2.8Å; R39-A43 VanDerWaalsContact O-CB 3.32Å; R39-A43 WeakPolarHBondContact O-CB 3.03Å; R39-A43 PolarHBondContact O-N 2.86Å
40	A	37.6	Very low	39.3	Very low	55 Å²	55	111.4 Å²	111.4	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-69.1	-41.8	175	0	0	0	0	0	112	R36 A37 H38 A43 S44	R36-A40 WeakPolarHBondContact O-CB 3.48Å; R36-A40 PolarHBondContact O-N 3.39Å; A37-A40 PolarHBondContact O-N 3.21Å; H38-A40 PolarHBondContact O-N 2.99Å; A40-A43 PolarHBondContact O-N 3.15Å; A40-S44 WeakPolarHBondContact O-CB 3.48Å; A40-S44 PolarHBondContact O-N 2.81Å; A40-S44 PolarHBondContact O-OG 2.91Å
41	V	40.8	Very low	39.6	Very low	88 Å²	88	109.7 Å²	109.7	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-50	175.2	172.3	0	0	0	0	110.5	A37 H38 A43 S44 C45	A37-V41 WeakPolarHBondContact O-CG2 3.44Å; A37-V41 PolarHBondContact O-N 3.07Å; H38-V41 PolarHBondContact O-N 2.86Å; V41-A43 VanDerWaalsContact C-N 3.34Å; V41-A43 PolarHBondContact O-N 2.97Å; V41-S44 WeakPolarHBondContact O-CB 3.42Å; V41-S44 PolarHBondContact O-N 2.83Å; V41-S44 VanDerWaalsContact O-N 3.1Å; V41-C45 PolarHBondContact O-N 3.48Å; V41-C45 PolarHBondContact O-SG 2.97Å; V41-C45 VanDerWaalsContact O-SG 3.34Å
42	L	44.3	Very low	39.8	Very low	87 Å²	87	113.5 Å²	113.5	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-60.2	-39.9	178.2	-71.3	168.7	0	0	0	112.8	H38 S46 L77	H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 VanDerWaalsContact O-CG 3.3Å; H38-L42 WeakPolarHBondContact O-CG 3.38Å; H38-L42 PolarHBondContact O-N 3.17Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.45Å; L42-L77 HydrophobicContact CD2-CD1 4.37Å
43	A	40	Very low	39.7	Very low	55 Å²	55	114 Å²	114	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-40.7	174.1	0	0	0	0	0	112.3	R39 A40 V41 S46 M47	R39-A43 VanDerWaalsContact O-CB 3.32Å; R39-A43 WeakPolarHBondContact O-CB 3.03Å; R39-A43 PolarHBondContact O-N 2.86Å; A40-A43 PolarHBondContact O-N 3.15Å; V41-A43 VanDerWaalsContact C-N 3.34Å; V41-A43 PolarHBondContact O-N 2.97Å; A43-S46 PolarHBondContact O-N 3.18Å; A43-M47 PolarHBondContact O-N 3.24Å
44	S	38.2	Very low	39.6	Very low	78 Å²	78	117 Å²	117	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-64.4	-46	177.6	-55.9	0	0	0	0	111.3	A40 V41 S46 M47 Y48	A40-S44 WeakPolarHBondContact O-CB 3.48Å; A40-S44 PolarHBondContact O-N 2.81Å; A40-S44 PolarHBondContact O-OG 2.91Å; V41-S44 WeakPolarHBondContact O-CB 3.42Å; V41-S44 PolarHBondContact O-N 2.83Å; V41-S44 VanDerWaalsContact O-N 3.1Å; S44-S46 PolarHBondContact O-N 2.93Å; S44-M47 PolarHBondContact O-N 2.83Å; S44-Y48 PolarHBondContact O-N 3.23Å
45	C	41.2	Very low	39.6	Very low	74 Å²	74	115.9 Å²	115.9	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-61.8	-42.5	175.1	-66.6	0	0	0	0	112.1	V41 Y48 F49	V41-C45 PolarHBondContact O-N 3.48Å; V41-C45 PolarHBondContact O-SG 2.97Å; V41-C45 VanDerWaalsContact O-SG 3.34Å; C45-Y48 PolarHBondContact O-N 3.46Å; C45-F49 WeakPolarHBondContact O-CB 3.4Å; C45-F49 PolarHBondContact O-N 3.11Å
46	S	42.6	Very low	39.8	Very low	64 Å²	64	114.8 Å²	114.8	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-43.9	176.3	178.8	0	0	0	0	112.4	L42 A43 S44 F49 H50	L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.45Å; A43-S46 PolarHBondContact O-N 3.18Å; S44-S46 PolarHBondContact O-N 2.93Å; S46-F49 PolarHBondContact O-N 3.14Å; S46-H50 PolarHBondContact O-CD2 2.71Å; S46-H50 PolarHBondContact O-N 3.14Å
47	M	37.2	Very low	40.2	Very low	127 Å²	127	112.6 Å²	112.6	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-64.3	-42.5	174.9	-82	-171.1	59.5	0	0	112.6	A43 S44 F49 H50 L51	A43-M47 PolarHBondContact O-N 3.24Å; S44-M47 PolarHBondContact O-N 2.83Å; M47-F49 VanDerWaalsContact C-N 3.33Å; M47-F49 PolarHBondContact O-N 3.28Å; M47-H50 PolarHBondContact O-N 3.06Å; M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 3.35Å
48	Y	38.3	Very low	40.2	Very low	166 Å²	166	116.5 Å²	116.5	65%	0.651	59%	0.587	S	S	*	*	H	α-helix	trans	-62	-42.5	178	-158.5	-88.6	0	0	0	111.2	S44 C45 H50 L51 F52	S44-Y48 PolarHBondContact O-N 3.23Å; C45-Y48 PolarHBondContact O-N 3.46Å; Y48-H50 PolarHBondContact O-N 3.41Å; Y48-L51 PolarHBondContact O-N 2.93Å; Y48-F52 HydrophobicContact CE1-CD2 4.17Å; Y48-F52 WeakPolarHBondContact O-CB 3.48Å; Y48-F52 PolarHBondContact O-N 3.13Å
49	F	42	Very low	40.1	Very low	128 Å²	128	119 Å²	119	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-61.5	-44.6	176.2	-144.2	-85.3	0	0	0	112	C45 S46 M47 F52 Y53	C45-F49 WeakPolarHBondContact O-CB 3.4Å; C45-F49 PolarHBondContact O-N 3.11Å; S46-F49 PolarHBondContact O-N 3.14Å; M47-F49 VanDerWaalsContact C-N 3.33Å; M47-F49 PolarHBondContact O-N 3.28Å; F49-F52 PolarHBondContact O-N 2.94Å; F49-Y53 AromaticContact CD1-CD2 3.6Å; F49-Y53 HydrophobicContact CD1-CD2 3.6Å; F49-Y53 HydrophobicContact CD1-CE2 4.08Å; F49-Y53 HydrophobicContact CD1-CG 4.41Å; F49-Y53 HydrophobicContact CD2-CE2 4.44Å; F49-Y53 AromaticContact CE1-CD2 3.44Å; F49-Y53 HydrophobicContact CE1-CD2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.44Å; F49-Y53 AromaticContact CE1-CE2 3.56Å; F49-Y53 HydrophobicContact CE1-CE2 3.56Å; F49-Y53 HydrophobicContact CE1-CG 4.2Å; F49-Y53 HydrophobicContact CE2-CD2 4.44Å; F49-Y53 AromaticContact CE2-CE2 3.97Å; F49-Y53 HydrophobicContact CE2-CE2 3.97Å; F49-Y53 HydrophobicContact CG-CD2 4.18Å; F49-Y53 HydrophobicContact CG-CE2 4.49Å; F49-Y53 AromaticContact CZ-CD2 3.9Å; F49-Y53 HydrophobicContact CZ-CD2 3.9Å; F49-Y53 AromaticContact CZ-CE2 3.5Å; F49-Y53 HydrophobicContact CZ-CE2 3.5Å; F49-Y53 WeakPolarHBondContact O-CB 3.34Å; F49-Y53 PolarHBondContact O-N 3.22Å
50	H	40.6	Very low	39.6	Very low	140 Å²	140	120.9 Å²	120.9	65%	0.648	60%	0.604	S	S	*	*	H	α-helix	trans	-65.4	-36.6	177	-91	-63.1	0	0	0	113.6	S46 M47 Y48 K54	S46-H50 PolarHBondContact O-CD2 2.71Å; S46-H50 PolarHBondContact O-N 3.14Å; M47-H50 PolarHBondContact O-N 3.06Å; Y48-H50 PolarHBondContact O-N 3.41Å; H50-K54 VanDerWaalsContact O-CB 3.23Å; H50-K54 WeakPolarHBondContact O-CB 3.44Å; H50-K54 PolarHBondContact O-N 3.3Å
51	L	39.5	Very low	39.4	Very low	125 Å²	125	125.4 Å²	125.4	65%	0.654	62%	0.62	S	S	*	*	H	α-helix	trans	-72.3	-41.3	177.1	-70.7	169.9	0	0	0	111.7	M47 Y48	M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 3.35Å; Y48-L51 PolarHBondContact O-N 2.93Å
52	F	38.1	Very low	38.9	Very low	137 Å²	137	127.4 Å²	127.4	60%	0.601	63%	0.632	S	S	*	*	H	α-helix	trans	-75.8	-35.9	-175.3	-154.5	-90.4	0	0	0	113.5	Y48 F49	Y48-F52 HydrophobicContact CE1-CD2 4.17Å; Y48-F52 WeakPolarHBondContact O-CB 3.48Å; Y48-F52 PolarHBondContact O-N 3.13Å; F49-F52 PolarHBondContact O-N 2.94Å
53	Y	43.4	Very low	38.3	Very low	115 Å²	115	129.4 Å²	129.4	45%	0.451	65%	0.648	S	S	.	*	H	α-helix	trans	-88.5	-17	-179.8	-83.2	-83.6	0	0	0	114.9	F49 D55 Q56 L57	F49-Y53 AromaticContact CD1-CD2 3.6Å; F49-Y53 HydrophobicContact CD1-CD2 3.6Å; F49-Y53 HydrophobicContact CD1-CE2 4.08Å; F49-Y53 HydrophobicContact CD1-CG 4.41Å; F49-Y53 HydrophobicContact CD2-CE2 4.44Å; F49-Y53 AromaticContact CE1-CD2 3.44Å; F49-Y53 HydrophobicContact CE1-CD2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.44Å; F49-Y53 AromaticContact CE1-CE2 3.56Å; F49-Y53 HydrophobicContact CE1-CE2 3.56Å; F49-Y53 HydrophobicContact CE1-CG 4.2Å; F49-Y53 HydrophobicContact CE2-CD2 4.44Å; F49-Y53 AromaticContact CE2-CE2 3.97Å; F49-Y53 HydrophobicContact CE2-CE2 3.97Å; F49-Y53 HydrophobicContact CG-CD2 4.18Å; F49-Y53 HydrophobicContact CG-CE2 4.49Å; F49-Y53 AromaticContact CZ-CD2 3.9Å; F49-Y53 HydrophobicContact CZ-CD2 3.9Å; F49-Y53 AromaticContact CZ-CE2 3.5Å; F49-Y53 HydrophobicContact CZ-CE2 3.5Å; F49-Y53 WeakPolarHBondContact O-CB 3.34Å; F49-Y53 PolarHBondContact O-N 3.22Å; Y53-D55 VanDerWaalsContact C-N 3.29Å; Y53-D55 PolarHBondContact O-N 2.94Å; Y53-Q56 PolarHBondContact O-N 3.01Å; Y53-Q56 VanDerWaalsContact O-N 3.14Å; Y53-L57 WeakPolarHBondContact O-CG 3.35Å; Y53-L57 PolarHBondContact O-N 2.78Å; Y53-L57 VanDerWaalsContact O-N 3.11Å
54	K	37.3	Very low	38.1	Very low	141 Å²	141	134.6 Å²	134.6	61%	0.613	66%	0.662	S	S	*	*	H	α-helix	trans	-58.1	-41.9	177.7	178.8	176.6	177	-173.3	0	112.1	H50 Q56 L57	H50-K54 VanDerWaalsContact O-CB 3.23Å; H50-K54 WeakPolarHBondContact O-CB 3.44Å; H50-K54 PolarHBondContact O-N 3.3Å; K54-Q56 PolarHBondContact O-N 3.18Å; K54-L57 PolarHBondContact O-N 3.34Å
55	D	37.3	Very low	37.9	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	67%	0.669	S	S	*	*	H	α-helix	trans	-67.5	-19.6	-179.2	-133.2	55.5	0	0	0	113.4	Y53	Y53-D55 VanDerWaalsContact C-N 3.29Å; Y53-D55 PolarHBondContact O-N 2.94Å
56	Q	41.5	Very low	37.3	Very low	147 Å²	147	139.4 Å²	139.4	69%	0.687	68%	0.676	S	S	*	*	H	α-helix	trans	-96.5	-17.8	177.1	-66.2	-70.2	-19.3	0	0	113.2	Y53 K54	Y53-Q56 PolarHBondContact O-N 3.01Å; Y53-Q56 VanDerWaalsContact O-N 3.14Å; K54-Q56 PolarHBondContact O-N 3.18Å
57	L	43.2	Very low	37.1	Very low	124 Å²	124	141.9 Å²	141.9	65%	0.649	69%	0.693	S	S	*	*	H	α-helix	trans	-85.3	-21	-174.5	-82.6	165	0	0	0	114.2	Y53 K54 K59	Y53-L57 WeakPolarHBondContact O-CG 3.35Å; Y53-L57 PolarHBondContact O-N 2.78Å; Y53-L57 VanDerWaalsContact O-N 3.11Å; K54-L57 PolarHBondContact O-N 3.34Å; L57-K59 PolarHBondContact O-N 2.81Å
58	D	36.6	Very low	37.1	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	4.7	179.3	-83.2	-11.3	0	0	0	114.1
59	K	38.6	Very low	36.9	Very low	178 Å²	178	140.3 Å²	140.3	77%	0.774	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	47.3	-174.1	-64.4	-178.5	-174.9	164.6	0	115.8	L57	L57-K59 PolarHBondContact O-N 2.81Å
60	R	33.3	Very low	36.6	Very low	228 Å²	228	140.1 Å²	140.1	86%	0.86	71%	0.706	S	S	*	*	S	Bend	trans	175.1	139.6	137.1	-94.4	148.9	-173.2	175.6	0.8	112.9
61	D	32.6	Very low	36.8	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	70%	0.698	S	S	*	*			trans	5.7	112.1	168.7	-57	-51.1	0	0	0	119.5	V63	D61-V63 PolarHBondContact O-N 3.06Å
62	V	31.5	Very low	36.9	Very low	131 Å²	131	134.5 Å²	134.5	79%	0.794	69%	0.694	S	S	*	*			trans	-71	96.5	173.6	-178.9	0	0	0	0	110.8	H64	V62-H64 PolarHBondContact O-N 3.49Å
63	V	32	Very low	37.3	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	69%	0.688	S	S	*	*			trans	-74.6	118.6	158.3	179.2	0	0	0	0	108	D61 L65	D61-V63 PolarHBondContact O-N 3.06Å; V63-L65 PolarHBondContact O-N 3.33Å
64	H	35.2	Very low	37.1	Very low	164 Å²	164	128.7 Å²	128.7	76%	0.759	69%	0.689	S	S	*	*			trans	-64.5	101.2	175.3	-90	-88.1	0	0	0	111	V62	V62-H64 PolarHBondContact O-N 3.49Å
65	L	34.9	Very low	37.3	Very low	131 Å²	131	125.1 Å²	125.1	69%	0.686	67%	0.674	S	S	*	*			trans	-96.5	110	160.4	-154.2	75.8	0	0	0	108.3	V63	V63-L65 PolarHBondContact O-N 3.33Å
66	N	28	Very low	37.8	Very low	123 Å²	123	121.9 Å²	121.9	66%	0.658	66%	0.662	S	S	*	*			trans	-70	132.2	175.8	-75.1	-21.1	0	0	0	110	D68	N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 VanDerWaalsContact O-N 3.14Å
67	S	37.8	Very low	37.9	Very low	115 Å²	115	118.7 Å²	118.7	80%	0.804	65%	0.65	S	S	*	*	S	Bend	trans	41.5	54	146.5	63.5	0	0	0	0	119.6
68	D	36.8	Very low	37.8	Very low	118 Å²	118	117.7 Å²	117.7	63%	0.631	64%	0.644	S	S	*	*			trans	-143	6	169	-102.6	-40.5	0	0	0	115.8	N66 V70	N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 VanDerWaalsContact O-N 3.14Å; D68-V70 PolarHBondContact O-N 2.82Å
69	I	35.4	Very low	38.1	Very low	143 Å²	143	114.6 Å²	114.6	73%	0.733	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	55.2	-175.3	-41.3	-178.4	0	0	0	111.8
70	V	35.8	Very low	38.4	Very low	124 Å²	124	112.2 Å²	112.2	75%	0.752	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-23.1	174.4	-177.5	0	0	0	0	111.9	D68	D68-V70 PolarHBondContact O-N 2.82Å
71	T	44.8	Very low	38.8	Very low	78 Å²	78	106.9 Å²	106.9	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-81.3	-28.5	-169.5	48.7	0	0	0	0	114.9	A74 F75	T71-A74 PolarHBondContact O-N 3.29Å; T71-F75 PolarHBondContact O-N 3.44Å
72	A	41.4	Very low	39	Very low	68 Å²	68	104.6 Å²	104.6	56%	0.562	59%	0.588	S	S	*	*	H	α-helix	trans	-60.4	-43.6	-173.7	0	0	0	0	0	115	F75	A72-F75 PolarHBondContact O-N 2.9Å
73	P	44.9	Very low	39.4	Very low	72 Å²	72	108.7 Å²	108.7	47%	0.468	59%	0.591	S	S	.	*	H	α-helix	trans	-70.8	-32.1	177.1	-18.5	33.5	0	0	0	113.2	F75 L77	P73-F75 VanDerWaalsContact C-N 3.32Å; P73-L77 PolarHBondContact O-N 2.9Å
74	A	41.1	Very low	39.8	Very low	58 Å²	58	107.8 Å²	107.8	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-36.2	175.7	0	0	0	0	0	111.6	T71 S76 L77 L78	T71-A74 PolarHBondContact O-N 3.29Å; A74-S76 PolarHBondContact O-N 3.37Å; A74-L77 PolarHBondContact O-N 3.28Å; A74-L78 PolarHBondContact O-N 2.92Å
75	F	41.5	Very low	39.9	Very low	66 Å²	66	103 Å²	103	29%	0.289	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-36.6	178.8	-157.2	-102.7	0	0	0	112.8	T71 A72 P73 L78 L79	T71-F75 PolarHBondContact O-N 3.44Å; A72-F75 PolarHBondContact O-N 2.9Å; P73-F75 VanDerWaalsContact C-N 3.32Å; F75-L78 PolarHBondContact O-N 2.57Å; F75-L79 HydrophobicContact CD1-CD1 3.72Å; F75-L79 HydrophobicContact CD1-CG 4.33Å; F75-L79 HydrophobicContact CE1-CD1 3.76Å; F75-L79 HydrophobicContact CE1-CG 4.3Å; F75-L79 WeakPolarHBondContact O-CG 3.28Å; F75-L79 PolarHBondContact O-N 3.32Å
76	S	46.8	Very low	40.2	Very low	75 Å²	75	103.3 Å²	103.3	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-47.1	172.9	-75.1	0	0	0	0	112.3	A74 L78 L79 E80	A74-S76 PolarHBondContact O-N 3.37Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.34Å; S76-L79 PolarHBondContact O-N 2.87Å; S76-E80 WeakPolarHBondContact O-CB 3.1Å; S76-E80 PolarHBondContact O-N 2.87Å
77	L	43.6	Very low	40.7	Very low	80 Å²	80	101.1 Å²	101.1	42%	0.419	56%	0.557	S	S	.	*	H	α-helix	trans	-63.2	-35.5	177.9	-71.2	169.3	0	0	0	112.2	L42 P73 A74 E80 F81	L42-L77 HydrophobicContact CD2-CD1 4.37Å; P73-L77 PolarHBondContact O-N 2.9Å; A74-L77 PolarHBondContact O-N 3.28Å; L77-E80 PolarHBondContact O-N 3.09Å; L77-F81 PolarHBondContact O-N 2.9Å
78	L	42.1	Very low	40.7	Very low	103 Å²	103	103.6 Å²	103.6	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-45.3	175.9	-155.2	101.8	0	0	0	111.5	A74 F75 S76 E80 F81 M82	A74-L78 PolarHBondContact O-N 2.92Å; F75-L78 PolarHBondContact O-N 2.57Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.34Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.31Å; L78-F81 PolarHBondContact O-N 2.89Å; L78-M82 HydrophobicContact CD2-SD 4.27Å; L78-M82 VanDerWaalsContact O-CG 3.29Å; L78-M82 WeakPolarHBondContact O-CG 3.36Å; L78-M82 PolarHBondContact O-N 3.39Å
79	L	41.2	Very low	40.5	Very low	75 Å²	75	104.6 Å²	104.6	39%	0.393	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-37.5	175.6	-75.8	169.2	0	0	0	112.4	F75 S76 M82 Y83	F75-L79 HydrophobicContact CD1-CD1 3.72Å; F75-L79 HydrophobicContact CD1-CG 4.33Å; F75-L79 HydrophobicContact CE1-CD1 3.76Å; F75-L79 HydrophobicContact CE1-CG 4.3Å; F75-L79 WeakPolarHBondContact O-CG 3.28Å; F75-L79 PolarHBondContact O-N 3.32Å; S76-L79 PolarHBondContact O-N 2.87Å; L79-M82 PolarHBondContact O-N 2.98Å; L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.24Å
80	E	46	Very low	40.6	Very low	128 Å²	128	106.1 Å²	106.1	60%	0.598	56%	0.558	S	S	*	*	H	α-helix	trans	-68.1	-43.4	178.4	-158.7	158.3	-135	0	0	110.9	S76 L77 L78 M82 Y83 E84	S76-E80 WeakPolarHBondContact O-CB 3.1Å; S76-E80 PolarHBondContact O-N 2.87Å; L77-E80 PolarHBondContact O-N 3.09Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.31Å; E80-M82 VanDerWaalsContact C-N 3.34Å; E80-M82 PolarHBondContact O-N 2.8Å; E80-Y83 PolarHBondContact O-N 3.18Å; E80-E84 PolarHBondContact O-N 2.72Å
81	F	41.3	Very low	40.8	Very low	116 Å²	116	107.6 Å²	107.6	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-62.3	-36.3	170.8	-103.8	-96.6	0	0	0	113.7	L77 L78 L87	L77-F81 PolarHBondContact O-N 2.9Å; L78-F81 PolarHBondContact O-N 2.89Å; F81-L87 HydrophobicContact CD1-CD1 4.29Å
82	M	36.8	Very low	40.5	Very low	100 Å²	100	107.4 Å²	107.4	49%	0.493	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-40.1	173.7	-72.3	174.2	70	0	0	111.7	L78 L79 E80 G85	L78-M82 HydrophobicContact CD2-SD 4.27Å; L78-M82 VanDerWaalsContact O-CG 3.29Å; L78-M82 WeakPolarHBondContact O-CG 3.36Å; L78-M82 PolarHBondContact O-N 3.39Å; L79-M82 PolarHBondContact O-N 2.98Å; E80-M82 VanDerWaalsContact C-N 3.34Å; E80-M82 PolarHBondContact O-N 2.8Å; M82-G85 PolarHBondContact O-N 3.37Å
83	Y	39.1	Very low	40.3	Very low	217 Å²	217	107.5 Å²	107.5	85%	0.851	55%	0.553	S	S	*	*	H	α-helix	trans	-71.5	-27.2	178.1	-110.2	-88.4	0	0	0	113.6	L79 E80 G85	L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.24Å; E80-Y83 PolarHBondContact O-N 3.18Å; Y83-G85 PolarHBondContact O-N 3.45Å
84	E	41.8	Very low	39.8	Very low	110 Å²	110	109.2 Å²	109.2	51%	0.514	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-6.6	170.2	-73.2	-158.8	145.7	0	0	113.9	E80 K86	E80-E84 PolarHBondContact O-N 2.72Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 HydrophobicContact CB-CD 4.17Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.21Å; E84-K86 IonicContact OE1-NZ 3.97Å; E84-K86 WeakPolarHBondContact OE2-CE 3.47Å; E84-K86 IonicContact OE2-NZ 2.59Å; E84-K86 PolarHBondContact OE2-NZ 3.26Å
85	G	36.2	Very low	39.6	Very low	63 Å²	63	114.2 Å²	114.2	65%	0.649	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.3	20	172.5	0	0	0	0	0	115.5	M82 Y83	M82-G85 PolarHBondContact O-N 3.37Å; Y83-G85 PolarHBondContact O-N 3.45Å
86	K	42	Very low	39.5	Very low	138 Å²	138	115.4 Å²	115.4	60%	0.6	58%	0.584	S	S	*	*			trans	-94.2	-6.4	-171.7	-70.7	168.3	-170.3	166.1	0	115.4	E84	E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 HydrophobicContact CB-CD 4.17Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.21Å; E84-K86 IonicContact OE1-NZ 3.97Å; E84-K86 WeakPolarHBondContact OE2-CE 3.47Å; E84-K86 IonicContact OE2-NZ 2.59Å; E84-K86 PolarHBondContact OE2-NZ 3.26Å
87	L	37.5	Very low	39	Very low	77 Å²	77	114.7 Å²	114.7	40%	0.403	58%	0.577	S	S	.	*			trans	-90.3	116.9	169.9	-94.4	74.8	0	0	0	110.5	F81	F81-L87 HydrophobicContact CD1-CD1 4.29Å
88	Q	38.3	Very low	38.7	Very low	166 Å²	166	116.2 Å²	116.2	78%	0.776	59%	0.585	S	S	*	*			trans	-90.3	127.7	162.5	-63.9	-170.4	5.8	0	0	108.8	Q90	Q88-Q90 PolarHBondContact O-N 3.46Å; Q88-Q90 VanDerWaalsContact O-N 3.09Å
89	F	33.9	Very low	38.7	Very low	140 Å²	140	113 Å²	113	61%	0.614	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-76	9.1	-167.1	-91.6	-89.1	0	0	0	115.9
90	Q	37.3	Very low	38.7	Very low	175 Å²	175	112 Å²	112	82%	0.818	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-79.6	-21.4	-171.6	-79.9	-179	-23.3	0	0	114.9	Q88	Q88-Q90 PolarHBondContact O-N 3.46Å; Q88-Q90 VanDerWaalsContact O-N 3.09Å
91	D	39.4	Very low	38.1	Very low	154 Å²	154	108 Å²	108	82%	0.824	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-118.8	18.6	-173.6	-61.7	-62.6	0	0	0	114.8
92	L	37.6	Very low	38.1	Very low	74 Å²	74	105.5 Å²	105.5	39%	0.387	56%	0.561	S	S	.	*	S	Bend	trans	-91.2	131	170.5	-107.2	71.5	0	0	0	110.9	V97	L92-V97 HydrophobicContact CB-CG2 4.26Å
93	P	38.4	Very low	38.7	Very low	71 Å²	71	106.3 Å²	106.3	46%	0.461	56%	0.56	S	S	.	*			trans	-66.9	146.1	174.7	29.9	-34.4	0	0	0	110.5	E95 D96 V97	P93-E95 PolarHBondContact O-N 3.26Å; P93-D96 HydrophobicContact CG-CB 4.3Å; P93-D96 VanDerWaalsContact CG-OD2 3.25Å; P93-D96 WeakPolarHBondContact CG-OD2 3.21Å; P93-D96 PolarHBondContact O-N 3.37Å; P93-V97 PolarHBondContact O-N 3.19Å
94	V	33.7	Very low	38.8	Very low	108 Å²	108	100.8 Å²	100.8	66%	0.655	54%	0.544	S	S	*	.	H	α-helix	trans	-58.6	-27.8	-174.6	-177.5	0	0	0	0	112.3	V97 L98	V94-V97 PolarHBondContact O-N 3.15Å; V94-L98 HydrophobicContact CG1-CD1 4.02Å; V94-L98 HydrophobicContact CG1-CG 4.34Å; V94-L98 WeakPolarHBondContact O-CB 3.4Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.37Å
95	E	37.4	Very low	38.6	Very low	162 Å²	162	102 Å²	102	76%	0.757	55%	0.55	S	S	*	.	H	α-helix	trans	-62.7	-42	176.7	-63.3	177.5	-160.8	0	0	112.5	P93 L98 A99	P93-E95 PolarHBondContact O-N 3.26Å; E95-L98 PolarHBondContact O-N 3.19Å; E95-A99 WeakPolarHBondContact O-CB 3.31Å; E95-A99 PolarHBondContact O-N 3Å
96	D	39.1	Very low	38.7	Very low	91 Å²	91	104.1 Å²	104.1	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-70.2	-33.4	176.5	-74.7	-33.5	0	0	0	111.8	P93 A99 A100	P93-D96 HydrophobicContact CG-CB 4.3Å; P93-D96 VanDerWaalsContact CG-OD2 3.25Å; P93-D96 WeakPolarHBondContact CG-OD2 3.21Å; P93-D96 PolarHBondContact O-N 3.37Å; D96-A99 PolarHBondContact O-N 3.44Å; D96-A100 WeakPolarHBondContact O-CB 3.2Å; D96-A100 PolarHBondContact O-N 3.38Å
97	V	37.2	Very low	38.9	Very low	61 Å²	61	104 Å²	104	37%	0.37	54%	0.541	S	S	.	.	H	α-helix	trans	-68.9	-38.8	175	-177.2	0	0	0	0	110.8	L92 P93 V94 A100 A101	L92-V97 HydrophobicContact CB-CG2 4.26Å; P93-V97 PolarHBondContact O-N 3.19Å; V94-V97 PolarHBondContact O-N 3.15Å; V97-A100 PolarHBondContact O-N 3.34Å; V97-A101 WeakPolarHBondContact O-CB 3.41Å; V97-A101 PolarHBondContact O-N 3.08Å
98	L	35.7	Very low	39.1	Very low	112 Å²	112	103.7 Å²	103.7	59%	0.586	54%	0.54	S	S	*	.	H	α-helix	trans	-69.6	-35.1	173.2	-73	168.3	0	0	0	112.4	V94 E95 S102	V94-L98 HydrophobicContact CG1-CD1 4.02Å; V94-L98 HydrophobicContact CG1-CG 4.34Å; V94-L98 WeakPolarHBondContact O-CB 3.4Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.37Å; E95-L98 PolarHBondContact O-N 3.19Å; L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 2.91Å; L98-S102 PolarHBondContact O-OG 2.91Å
99	A	42.4	Very low	39.1	Very low	36 Å²	36	100.8 Å²	100.8	30%	0.298	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-51.3	169.6	0	0	0	0	0	110.5	E95 D96 A101 S102 Y103	E95-A99 WeakPolarHBondContact O-CB 3.31Å; E95-A99 PolarHBondContact O-N 3Å; D96-A99 PolarHBondContact O-N 3.44Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 2.82Å; A99-S102 PolarHBondContact O-N 3.25Å; A99-S102 PolarHBondContact O-OG 2.63Å; A99-Y103 WeakPolarHBondContact O-CD2 3.37Å; A99-Y103 PolarHBondContact O-N 3.47Å
100	A	42.7	Very low	39.6	Very low	54 Å²	54	98.4 Å²	98.4	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-57.9	-43.5	177.3	0	0	0	0	0	112.5	D96 V97 Y103 L104	D96-A100 WeakPolarHBondContact O-CB 3.2Å; D96-A100 PolarHBondContact O-N 3.38Å; V97-A100 PolarHBondContact O-N 3.34Å; A100-Y103 PolarHBondContact O-N 3.36Å; A100-L104 PolarHBondContact O-N 3.4Å
101	A	32	Very low	40	Very low	44 Å²	44	95.6 Å²	95.6	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-39.5	177.3	0	0	0	0	0	113.1	V97 A99 L104 H105	V97-A101 WeakPolarHBondContact O-CB 3.41Å; V97-A101 PolarHBondContact O-N 3.08Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 2.82Å; A101-L104 WeakPolarHBondContact O-CB 3.23Å; A101-L104 PolarHBondContact O-N 3.48Å; A101-H105 PolarHBondContact O-CD2 3.08Å; A101-H105 PolarHBondContact O-N 2.88Å
102	S	42.4	Very low	39.9	Very low	62 Å²	62	92.4 Å²	92.4	43%	0.434	50%	0.496	S	S	.	.	H	α-helix	trans	-71.8	-34.4	177.1	51.6	0	0	0	0	112.8	L98 A99 L104 H105 M106	L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 2.91Å; L98-S102 PolarHBondContact O-OG 2.91Å; A99-S102 PolarHBondContact O-N 3.25Å; A99-S102 PolarHBondContact O-OG 2.63Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-H105 PolarHBondContact O-N 2.87Å; S102-M106 PolarHBondContact O-N 3.12Å
103	Y	48.1	Very low	39.9	Very low	118 Å²	118	92 Å²	92	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-36.4	167	-79.1	-66.7	0	0	0	112.7	A99 A100 M106 Y107	A99-Y103 WeakPolarHBondContact O-CD2 3.37Å; A99-Y103 PolarHBondContact O-N 3.47Å; A100-Y103 PolarHBondContact O-N 3.36Å; Y103-M106 HydrophobicContact CD1-CE 3.49Å; Y103-M106 VanDerWaalsContact CD1-CE 3.49Å; Y103-M106 HydrophobicContact CE1-CE 3.57Å; Y103-M106 HydrophobicContact CG-CE 4.47Å; Y103-M106 PolarHBondContact O-N 3.49Å; Y103-Y107 PolarHBondContact O-N 3.17Å
104	L	41.8	Very low	40.3	Very low	100 Å²	100	95.3 Å²	95.3	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-43.8	175.4	-141	72.6	0	0	0	111.7	A100 A101 S102 M106 Y107 D108	A100-L104 PolarHBondContact O-N 3.4Å; A101-L104 WeakPolarHBondContact O-CB 3.23Å; A101-L104 PolarHBondContact O-N 3.48Å; S102-L104 VanDerWaalsContact C-N 3.34Å; L104-M106 VanDerWaalsContact C-N 3.34Å; L104-M106 PolarHBondContact O-N 3.34Å; L104-Y107 WeakPolarHBondContact O-CB 3.28Å; L104-Y107 PolarHBondContact O-N 3.36Å; L104-Y107 VanDerWaalsContact O-N 3.14Å; L104-D108 PolarHBondContact O-N 2.97Å
105	H	37.5	Very low	40.9	Very low	137 Å²	137	96.8 Å²	96.8	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-41	171.7	-84.5	-67	0	0	0	112.5	A101 S102 Y107 D108 I109	A101-H105 PolarHBondContact O-CD2 3.08Å; A101-H105 PolarHBondContact O-N 2.88Å; S102-H105 PolarHBondContact O-N 2.87Å; H105-Y107 VanDerWaalsContact C-N 3.34Å; H105-Y107 PolarHBondContact O-N 3.33Å; H105-D108 PolarHBondContact O-N 3.34Å; H105-I109 WeakPolarHBondContact O-CB 3.3Å; H105-I109 WeakPolarHBondContact O-CD1 3.44Å; H105-I109 VanDerWaalsContact O-CG1 3.24Å; H105-I109 WeakPolarHBondContact O-CG1 3.14Å; H105-I109 PolarHBondContact O-N 3.49Å
106	M	39	Very low	40.9	Very low	106 Å²	106	97.7 Å²	97.7	52%	0.522	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-38.1	173.4	-73.4	-154.8	-69.3	0	0	112.5	S102 Y103 L104 I109 V110	S102-M106 PolarHBondContact O-N 3.12Å; Y103-M106 HydrophobicContact CD1-CE 3.49Å; Y103-M106 VanDerWaalsContact CD1-CE 3.49Å; Y103-M106 HydrophobicContact CE1-CE 3.57Å; Y103-M106 HydrophobicContact CG-CE 4.47Å; Y103-M106 PolarHBondContact O-N 3.49Å; L104-M106 VanDerWaalsContact C-N 3.34Å; L104-M106 PolarHBondContact O-N 3.34Å; M106-I109 PolarHBondContact O-N 3.14Å; M106-V110 WeakPolarHBondContact O-CB 3.48Å; M106-V110 VanDerWaalsContact O-CG2 3.31Å; M106-V110 WeakPolarHBondContact O-CG2 3.36Å; M106-V110 PolarHBondContact O-N 3.48Å
107	Y	46.2	Very low	41.2	Very low	136 Å²	136	99 Å²	99	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-45.1	176.2	-176.3	-104.6	0	0	0	112.1	Y103 L104 H105 V110 K111	Y103-Y107 PolarHBondContact O-N 3.17Å; L104-Y107 WeakPolarHBondContact O-CB 3.28Å; L104-Y107 PolarHBondContact O-N 3.36Å; L104-Y107 VanDerWaalsContact O-N 3.14Å; H105-Y107 VanDerWaalsContact C-N 3.34Å; H105-Y107 PolarHBondContact O-N 3.33Å; Y107-V110 PolarHBondContact O-N 3.38Å; Y107-K111 HydrophobicContact CE1-CD 4.27Å; Y107-K111 WeakPolarHBondContact O-CB 3.27Å; Y107-K111 PolarHBondContact O-N 3.48Å
108	D	40.4	Very low	42.1	Very low	71 Å²	71	103.2 Å²	103.2	38%	0.38	52%	0.519	S	S	.	.	H	α-helix	trans	-68.9	-34.8	176.3	-83.7	-40.8	0	0	0	112.7	L104 H105 K111 V112	L104-D108 PolarHBondContact O-N 2.97Å; H105-D108 PolarHBondContact O-N 3.34Å; D108-K111 PolarHBondContact O-N 2.76Å; D108-K111 VanDerWaalsContact OD1-CD 3.29Å; D108-K111 WeakPolarHBondContact OD1-CD 3.22Å; D108-K111 IonicContact OD1-NZ 3.44Å; D108-K111 PolarHBondContact OD1-NZ 3.43Å; D108-V112 WeakPolarHBondContact O-CB 3.4Å; D108-V112 WeakPolarHBondContact O-CG2 3.35Å; D108-V112 PolarHBondContact O-N 3.16Å
109	I	38.4	Very low	42.7	Very low	105 Å²	105	102.9 Å²	102.9	54%	0.538	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-49.7	170.2	-70.5	163.9	0	0	0	110.5	H105 M106 K111 V112 C113	H105-I109 WeakPolarHBondContact O-CB 3.3Å; H105-I109 WeakPolarHBondContact O-CD1 3.44Å; H105-I109 VanDerWaalsContact O-CG1 3.24Å; H105-I109 WeakPolarHBondContact O-CG1 3.14Å; H105-I109 PolarHBondContact O-N 3.49Å; M106-I109 PolarHBondContact O-N 3.14Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.31Å; I109-V112 PolarHBondContact O-N 3.33Å; I109-C113 WeakPolarHBondContact O-CB 3.29Å; I109-C113 PolarHBondContact O-N 3.05Å; I109-C113 PolarHBondContact O-SG 2.85Å; I109-C113 VanDerWaalsContact O-SG 3.37Å
110	V	44.5	Very low	42.9	Very low	90 Å²	90	106.7 Å²	106.7	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-38.8	177.8	168	0	0	0	0	111.5	M106 Y107 C113 K114	M106-V110 WeakPolarHBondContact O-CB 3.48Å; M106-V110 VanDerWaalsContact O-CG2 3.31Å; M106-V110 WeakPolarHBondContact O-CG2 3.36Å; M106-V110 PolarHBondContact O-N 3.48Å; Y107-V110 PolarHBondContact O-N 3.38Å; V110-C113 PolarHBondContact O-N 2.84Å; V110-K114 WeakPolarHBondContact O-CB 3.34Å; V110-K114 PolarHBondContact O-N 3.14Å
111	K	46.3	Very low	43.3	Very low	116 Å²	116	106.9 Å²	106.9	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-41.3	176.5	-178.7	-177.7	169.5	-165.4	0	112.2	Y107 D108 I109 K114 K115	Y107-K111 HydrophobicContact CE1-CD 4.27Å; Y107-K111 WeakPolarHBondContact O-CB 3.27Å; Y107-K111 PolarHBondContact O-N 3.48Å; D108-K111 PolarHBondContact O-N 2.76Å; D108-K111 VanDerWaalsContact OD1-CD 3.29Å; D108-K111 WeakPolarHBondContact OD1-CD 3.22Å; D108-K111 IonicContact OD1-NZ 3.44Å; D108-K111 PolarHBondContact OD1-NZ 3.43Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.31Å; K111-K114 PolarHBondContact O-N 3.46Å; K111-K115 WeakPolarHBondContact O-CB 3.42Å; K111-K115 PolarHBondContact O-N 3.27Å
112	V	37.2	Very low	44.4	Very low	86 Å²	86	109 Å²	109	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-47.1	172.1	169.1	0	0	0	0	110.8	D108 I109 K114 K115 R116	D108-V112 WeakPolarHBondContact O-CB 3.4Å; D108-V112 WeakPolarHBondContact O-CG2 3.35Å; D108-V112 PolarHBondContact O-N 3.16Å; I109-V112 PolarHBondContact O-N 3.33Å; V112-K114 PolarHBondContact O-N 2.95Å; V112-K115 PolarHBondContact O-N 2.86Å; V112-R116 WeakPolarHBondContact O-CG 3.25Å; V112-R116 PolarHBondContact O-N 2.92Å
113	C	37.5	Very low	44.9	Very low	65 Å²	65	108.9 Å²	108.9	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.1	-73.3	0	0	0	0	111.8	I109 V110 K115 R116 L117	I109-C113 WeakPolarHBondContact O-CB 3.29Å; I109-C113 PolarHBondContact O-N 3.05Å; I109-C113 PolarHBondContact O-SG 2.85Å; I109-C113 VanDerWaalsContact O-SG 3.37Å; V110-C113 PolarHBondContact O-N 2.84Å; C113-K115 VanDerWaalsContact C-N 3.33Å; C113-K115 PolarHBondContact O-N 2.85Å; C113-R116 PolarHBondContact O-N 3.25Å; C113-L117 WeakPolarHBondContact O-CB 3.4Å; C113-L117 VanDerWaalsContact O-CG 3.3Å; C113-L117 WeakPolarHBondContact O-CG 3.46Å; C113-L117 PolarHBondContact O-N 3.26Å
114	K	46.8	Very low	45.2	Very low	141 Å²	141	107.7 Å²	107.7	61%	0.613	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-35	176.8	-168.3	170.9	-174.4	173.8	0	112.3	V110 K111 V112 K118	V110-K114 WeakPolarHBondContact O-CB 3.34Å; V110-K114 PolarHBondContact O-N 3.14Å; K111-K114 PolarHBondContact O-N 3.46Å; V112-K114 PolarHBondContact O-N 2.95Å; K114-K118 WeakPolarHBondContact O-CG 3.24Å; K114-K118 PolarHBondContact O-N 2.97Å; K114-K118 VanDerWaalsContact O-N 3.1Å
115	K	47	Very low	45.8	Very low	139 Å²	139	105.4 Å²	105.4	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-66.8	-48.3	171.9	-171.6	176.9	-179.7	180	0	111.5	K111 V112 C113 L117 K118 Q119	K111-K115 WeakPolarHBondContact O-CB 3.42Å; K111-K115 PolarHBondContact O-N 3.27Å; V112-K115 PolarHBondContact O-N 2.86Å; C113-K115 VanDerWaalsContact C-N 3.33Å; C113-K115 PolarHBondContact O-N 2.85Å; K115-L117 PolarHBondContact O-N 2.83Å; K115-K118 PolarHBondContact O-N 3.31Å; K115-Q119 WeakPolarHBondContact O-CG 3.46Å; K115-Q119 PolarHBondContact O-N 3.09Å
116	R	36.2	Very low	46.4	Very low	182 Å²	182	103.9 Å²	103.9	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-65.4	-36.5	178.5	-66.6	-170	78	-163.9	4.2	112.8	V112 C113 Q119 K120	V112-R116 WeakPolarHBondContact O-CG 3.25Å; V112-R116 PolarHBondContact O-N 2.92Å; C113-R116 PolarHBondContact O-N 3.25Å; R116-Q119 PolarHBondContact O-N 2.75Å; R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.15Å
117	L	46.8	Very low	47	Very low	118 Å²	118	102 Å²	102	62%	0.618	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-41.6	173.7	-74.7	169.9	0	0	0	111.9	C113 K115 K120 A121	C113-L117 WeakPolarHBondContact O-CB 3.4Å; C113-L117 VanDerWaalsContact O-CG 3.3Å; C113-L117 WeakPolarHBondContact O-CG 3.46Å; C113-L117 PolarHBondContact O-N 3.26Å; K115-L117 PolarHBondContact O-N 2.83Å; L117-K120 PolarHBondContact O-N 3.08Å; L117-A121 WeakPolarHBondContact O-CB 3.41Å; L117-A121 PolarHBondContact O-N 3.24Å
118	K	54.5	Low	47.3	Very low	150 Å²	150	99.9 Å²	99.9	65%	0.652	53%	0.527	S	S	*	.	H	α-helix	trans	-61	-46.1	171.6	-80	-168.1	172.2	-163.4	0	112.1	K114 K115 K120 A121 T122	K114-K118 WeakPolarHBondContact O-CG 3.24Å; K114-K118 PolarHBondContact O-N 2.97Å; K114-K118 VanDerWaalsContact O-N 3.1Å; K115-K118 PolarHBondContact O-N 3.31Å; K118-K120 VanDerWaalsContact C-N 3.31Å; K118-K120 PolarHBondContact O-N 3.07Å; K118-A121 PolarHBondContact O-N 3.46Å; K118-T122 PolarHBondContact O-N 3.41Å; K118-T122 PolarHBondContact O-OG1 3.26Å
119	Q	48.5	Very low	47.8	Very low	105 Å²	105	106.5 Å²	106.5	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-62.4	-36.4	177.7	-71.3	172.8	-52.3	0	0	112.6	K115 R116 T122 A123	K115-Q119 WeakPolarHBondContact O-CG 3.46Å; K115-Q119 PolarHBondContact O-N 3.09Å; R116-Q119 PolarHBondContact O-N 2.75Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.4Å; Q119-T122 PolarHBondContact O-OG1 3.49Å; Q119-A123 WeakPolarHBondContact O-CB 3.45Å; Q119-A123 PolarHBondContact O-N 3.28Å; Q119-A123 VanDerWaalsContact O-N 3.13Å
120	K	46.1	Very low	48.4	Very low	116 Å²	116	112.1 Å²	112.1	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-68.2	-45.4	174.1	-169.4	172.6	-176.5	-84.9	0	111.4	R116 L117 K118 T122 A123 E124	R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.15Å; L117-K120 PolarHBondContact O-N 3.08Å; K118-K120 VanDerWaalsContact C-N 3.31Å; K118-K120 PolarHBondContact O-N 3.07Å; K120-T122 VanDerWaalsContact C-N 3.31Å; K120-T122 PolarHBondContact O-N 3Å; K120-A123 PolarHBondContact O-N 3.34Å; K120-A123 VanDerWaalsContact O-N 3.16Å; K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 HydrophobicContact CG-CG 4.34Å; K120-E124 VanDerWaalsContact NZ-CD 3.28Å; K120-E124 IonicContact NZ-OE1 2.73Å; K120-E124 PolarHBondContact NZ-OE1 2.87Å; K120-E124 IonicContact NZ-OE2 3.84Å; K120-E124 PolarHBondContact NZ-OE2 3.04Å; K120-E124 WeakPolarHBondContact O-CB 3.2Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.23Å
121	A	51.3	Low	48.6	Very low	58 Å²	58	116.2 Å²	116.2	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-35.7	177.8	0	0	0	0	0	113	L117 K118 A125	L117-A121 WeakPolarHBondContact O-CB 3.41Å; L117-A121 PolarHBondContact O-N 3.24Å; K118-A121 PolarHBondContact O-N 3.46Å; A121-A125 WeakPolarHBondContact O-CB 3.19Å; A121-A125 PolarHBondContact O-N 3.31Å
122	T	56.7	Low	48.6	Very low	87 Å²	87	118 Å²	118	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-70	-40.1	172.9	48.2	0	0	0	0	112.5	K118 Q119 K120 A125 D126	K118-T122 PolarHBondContact O-N 3.41Å; K118-T122 PolarHBondContact O-OG1 3.26Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.4Å; Q119-T122 PolarHBondContact O-OG1 3.49Å; K120-T122 VanDerWaalsContact C-N 3.31Å; K120-T122 PolarHBondContact O-N 3Å; T122-A125 PolarHBondContact O-N 3.41Å; T122-D126 PolarHBondContact O-N 2.88Å
123	A	51.7	Low	48.7	Very low	60 Å²	60	121.6 Å²	121.6	50%	0.496	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-37.4	177	0	0	0	0	0	112.6	Q119 K120 S127	Q119-A123 WeakPolarHBondContact O-CB 3.45Å; Q119-A123 PolarHBondContact O-N 3.28Å; Q119-A123 VanDerWaalsContact O-N 3.13Å; K120-A123 PolarHBondContact O-N 3.34Å; K120-A123 VanDerWaalsContact O-N 3.16Å; A123-S127 PolarHBondContact O-N 2.68Å; A123-S127 VanDerWaalsContact O-N 3.12Å
124	E	54.2	Low	48.7	Very low	93 Å²	93	122.2 Å²	122.2	44%	0.435	62%	0.622	S	S	.	*	H	α-helix	trans	-66.5	-42.7	174	-71.7	176.3	145.3	0	0	110.7	K120 D126 S127 T128	K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 HydrophobicContact CG-CG 4.34Å; K120-E124 VanDerWaalsContact NZ-CD 3.28Å; K120-E124 IonicContact NZ-OE1 2.73Å; K120-E124 PolarHBondContact NZ-OE1 2.87Å; K120-E124 IonicContact NZ-OE2 3.84Å; K120-E124 PolarHBondContact NZ-OE2 3.04Å; K120-E124 WeakPolarHBondContact O-CB 3.2Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.23Å; E124-D126 PolarHBondContact O-N 3.03Å; E124-S127 WeakPolarHBondContact CA-OG 3.4Å; E124-S127 PolarHBondContact O-N 3.48Å; E124-S127 VanDerWaalsContact O-N 3.16Å; E124-S127 PolarHBondContact O-OG 2.85Å; E124-T128 PolarHBondContact O-N 3.35Å; E124-T128 PolarHBondContact O-OG1 2.9Å
125	A	55.6	Low	48.3	Very low	52 Å²	52	119.2 Å²	119.2	43%	0.43	63%	0.631	S	S	.	*	H	α-helix	trans	-60.4	-41.4	175.7	0	0	0	0	0	113.6	A121 T122 T128	A121-A125 WeakPolarHBondContact O-CB 3.19Å; A121-A125 PolarHBondContact O-N 3.31Å; T122-A125 PolarHBondContact O-N 3.41Å; A125-T128 WeakPolarHBondContact CA-OG1 3.45Å; A125-T128 PolarHBondContact O-N 3.29Å; A125-T128 PolarHBondContact O-OG1 3.29Å
126	D	49.2	Very low	48	Very low	106 Å²	106	118.5 Å²	118.5	57%	0.567	64%	0.644	S	S	*	*	H	α-helix	trans	-67.9	-33.3	174.8	-87.9	-28	0	0	0	112.5	T122 E124 R129	T122-D126 PolarHBondContact O-N 2.88Å; E124-D126 PolarHBondContact O-N 3.03Å; D126-R129 PolarHBondContact O-N 3.49Å
127	S	52.1	Low	47.9	Very low	65 Å²	65	115.5 Å²	115.5	46%	0.455	65%	0.651	S	S	.	*	H	α-helix	trans	-66.8	-43.3	174.5	68.6	0	0	0	0	112.1	A123 E124 R129 R130	A123-S127 PolarHBondContact O-N 2.68Å; A123-S127 VanDerWaalsContact O-N 3.12Å; E124-S127 WeakPolarHBondContact CA-OG 3.4Å; E124-S127 PolarHBondContact O-N 3.48Å; E124-S127 VanDerWaalsContact O-N 3.16Å; E124-S127 PolarHBondContact O-OG 2.85Å; S127-R129 PolarHBondContact O-N 3.04Å; S127-R130 PolarHBondContact O-N 2.55Å; S127-R130 VanDerWaalsContact O-N 3.15Å
128	T	53.1	Low	47.1	Very low	92 Å²	92	114.9 Å²	114.9	56%	0.564	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-1.4	177.8	51.5	0	0	0	0	114.9	E124 A125	E124-T128 PolarHBondContact O-N 3.35Å; E124-T128 PolarHBondContact O-OG1 2.9Å; A125-T128 WeakPolarHBondContact CA-OG1 3.45Å; A125-T128 PolarHBondContact O-N 3.29Å; A125-T128 PolarHBondContact O-OG1 3.29Å
129	R	50.4	Low	46.2	Very low	211 Å²	211	112.2 Å²	112.2	80%	0.796	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	4	173.6	-91	-177.2	163.1	-173.2	-6.9	114.2	D126 S127	D126-R129 PolarHBondContact O-N 3.49Å; S127-R129 PolarHBondContact O-N 3.04Å
130	R	50.3	Low	45.3	Very low	222 Å²	222	115 Å²	115	84%	0.838	67%	0.674	S	S	*	*	S	Bend	trans	-116.4	3.5	-174.9	-67.6	-173.1	177	-174.2	-1.1	115.3	S127	S127-R130 PolarHBondContact O-N 2.55Å; S127-R130 VanDerWaalsContact O-N 3.15Å
131	E	49.3	Very low	44.8	Very low	176 Å²	176	118.9 Å²	118.9	82%	0.822	69%	0.691	S	S	*	*	S	Bend	trans	-113.4	-11.4	-174.8	-59.9	-167.2	129.9	0	0	114.5
132	D	46.1	Very low	43.9	Very low	154 Å²	154	120.6 Å²	120.6	82%	0.824	71%	0.705	S	S	*	*	S	Bend	trans	-101.9	1.5	-173.5	-83.5	-41.3	0	0	0	115.5
133	D	40.1	Very low	42.6	Very low	162 Å²	162	123 Å²	123	87%	0.866	72%	0.715	S	S	*	*	S	Bend	trans	-113.4	111	-178.7	-102.1	-48.8	0	0	0	114
134	G	36.9	Very low	41.7	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	72%	0.723	S	S	*	*			trans	76.7	69.5	141.3	0	0	0	0	0	119.2
135	G	38.2	Very low	40.6	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	74%	0.744	S	S	*	*			trans	-76.8	139.1	157.1	0	0	0	0	0	112.7
136	S	40	Very low	39.5	Very low	124 Å²	124	129.8 Å²	129.8	87%	0.867	75%	0.752	S	S	*	*			trans	66.5	105.2	165.6	177.5	0	0	0	0	119.1
137	S	33.7	Very low	38.4	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	77%	0.765	S	S	*	*				-155	168.3	116.3	-161.3	0	0	0	0	110.5
138	C	30.8	Very low	37.3	Very low	105 Å²	105	132.3 Å²	132.3	71%	0.709	78%	0.775	S	S	*	*			trans	-128.1	164.5	-175.6	64.1	0	0	0	0	113.4
139	S	35.3	Very low	36.3	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	78%	0.784	S	S	*	*			trans	93.2	133.5	154.3	-53.7	0	0	0	0	120.5
140	D	31.2	Very low	35.3	Very low	163 Å²	163	129.7 Å²	129.7	87%	0.872	79%	0.787	S	S	*	*			trans	81.7	152.3	146.8	-60.2	-36.5	0	0	0	122.7
141	K	34.6	Very low	34.3	Very low	198 Å²	198	123 Å²	123	86%	0.861	79%	0.787	S	S	*	*			trans	-123.5	144.8	-169.2	-54.4	171.7	176.4	-178.3	0	110.4
142	A	32.2	Very low	33.4	Very low	94 Å²	94	123.5 Å²	123.5	78%	0.777	79%	0.789	S	S	*	*			trans	-165.9	116.1	137	0	0	0	0	0	106.3
143	D	29.9	Very low	33.2	Very low	137 Å²	137	121.4 Å²	121.4	73%	0.733	78%	0.784	S	S	*	*				75.2	90.3	74.8	-91.8	-62.5	0	0	0	115.4
144	S	32.6	Very low	32.6	Very low	95 Å²	95	118 Å²	118	66%	0.664	78%	0.779	S	S	*	*				75.5	142.7	117.4	-56.5	0	0	0	0	121.5
145	L	31.6	Very low	32.3	Very low	169 Å²	169	120.6 Å²	120.6	89%	0.885	78%	0.779	S	S	*	*			trans	75.6	152.7	165.2	-46.8	-177.4	0	0	0	118
146	S	32	Very low	31.9	Very low	84 Å²	84	121 Å²	121	59%	0.587	78%	0.775	S	S	*	*			cis	-166.9	167.8	-32.7	63.4	0	0	0	0	110.4
147	D	26.8	Very low	31.3	Very low	159 Å²	159	122.1 Å²	122.1	85%	0.85	77%	0.771	S	S	*	*			trans	63.5	162.9	158.7	-54.8	-57	0	0	0	119.8
148	G	28	Very low	31.1	Very low	64 Å²	64	123.4 Å²	123.4	66%	0.66	77%	0.768	S	S	*	*			trans	-167.9	-67	-177.4	0	0	0	0	0	116.1
149	S	32.2	Very low	31	Very low	109 Å²	109	125.4 Å²	125.4	76%	0.762	77%	0.771	S	S	*	*			trans	71.6	137.9	175.1	77.1	0	0	0	0	120.3
150	T	29.5	Very low	30.9	Very low	140 Å²	140	130.3 Å²	130.3	86%	0.859	78%	0.783	S	S	*	*			trans	48.5	127.1	144.8	53.4	0	0	0	0	122.6
151	G	29.9	Very low	30.9	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	77%	0.771	S	S	*	*			trans	165.8	76.2	157.8	0	0	0	0	0	117.8
152	Q	29.1	Very low	30.6	Very low	186 Å²	186	123.6 Å²	123.6	87%	0.869	76%	0.763	S	S	*	*			trans	-106.6	165.5	159.2	-106.7	-161.5	6.2	0	0	109
153	P	41.8	Very low	30.7	Very low	110 Å²	110	127.2 Å²	127.2	71%	0.714	76%	0.764	S	S	*	*			cis	-143.3	166.5	30.1	42.4	-24.1	0	0	0	118.9
154	A	28.7	Very low	31	Very low	91 Å²	91	129 Å²	129	75%	0.752	77%	0.768	S	S	*	*			trans	60.8	149.3	148.2	0	0	0	0	0	119.7
155	T	30	Very low	31.2	Very low	132 Å²	132	131.8 Å²	131.8	81%	0.81	77%	0.771	S	S	*	*			cis	-142.1	157.8	17.8	48.7	0	0	0	0	113.5
156	A	29.8	Very low	31.2	Very low	86 Å²	86	131 Å²	131	71%	0.711	76%	0.763	S	S	*	*			trans	85.9	129.1	150.6	0	0	0	0	0	121.2
157	D	26.8	Very low	31	Very low	147 Å²	147	130 Å²	130	79%	0.786	77%	0.765	S	S	*	*			trans	77.1	103.3	146.8	-59.9	-12.5	0	0	0	123.8
158	L	31.4	Very low	31.1	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	76%	0.764	S	S	*	*			trans	84.9	83.9	133.1	-60.5	173.7	0	0	0	121.5
159	L	28.9	Very low	31.2	Very low	146 Å²	146	132.8 Å²	132.8	76%	0.764	77%	0.768	S	S	*	*				55.9	113.3	124.7	-60.9	173.6	0	0	0	120.3
160	H	32.6	Very low	31.1	Very low	198 Å²	198	137.2 Å²	137.2	92%	0.917	78%	0.777	S	S	*	*				-158.1	162.3	113.2	-101	74.7	0	0	0	109.1
161	S	31	Very low	30.9	Very low	90 Å²	90	134.2 Å²	134.2	63%	0.629	77%	0.774	S	S	*	*			trans	-122.3	139.8	-159.1	-94.5	0	0	0	0	116
162	D	27.2	Very low	30.8	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	77%	0.77	S	S	*	*				53.5	113.1	125.9	-36.3	-29.7	0	0	0	118.8
163	E	34.3	Very low	30.7	Very low	171 Å²	171	135.1 Å²	135.1	80%	0.799	77%	0.768	S	S	*	*				87.2	111.8	70.7	-77	-178.2	179.7	0	0	114.1
164	E	38	Very low	30.1	Very low	175 Å²	175	135.9 Å²	135.9	82%	0.818	77%	0.765	S	S	*	*				81.4	151.3	92.5	-72.5	-159.9	162.1	0	0	115.2
165	E	36.3	Very low	29.9	Very low	153 Å²	153	141.2 Å²	141.2	72%	0.715	77%	0.766	S	S	*	*			cis	-135	-160.7	-5.3	-119.2	-73.8	-104.1	0	0	107.5
166	E	30.7	Very low	29.7	Very low	153 Å²	153	141.8 Å²	141.8	72%	0.715	76%	0.764	S	S	*	*			cis	-137.9	-178.6	9.5	-137.6	-135.4	115.8	0	0	108.4	K168	E166-K168 PolarHBondContact OE1-N 2.99Å
167	G	29.2	Very low	29.3	Very low	61 Å²	61	148.9 Å²	148.9	63%	0.629	77%	0.772	S	S	*	*			cis	175.6	-163	20.5	0	0	0	0	0	117.7
168	K	28	Very low	29.4	Very low	194 Å²	194	149.3 Å²	149.3	84%	0.843	77%	0.773	S	S	*	*			trans	-134.7	140.6	-149.7	-172.8	-179.8	-168.6	170	0	116.7	E166	E166-K168 PolarHBondContact OE1-N 2.99Å
169	A	29.1	Very low	29.7	Very low	89 Å²	89	147.3 Å²	147.3	74%	0.736	77%	0.77	S	S	*	*			trans	-175.9	131.6	145.9	0	0	0	0	0	115.7
170	E	29.9	Very low	29.6	Very low	202 Å²	202	145.7 Å²	145.7	94%	0.944	77%	0.77	S	S	*	*			trans	22.9	155.3	141.5	-50	-166.3	140.5	0	0	123.4
171	G	26.4	Very low	29.2	Very low	77 Å²	77	140.6 Å²	140.6	79%	0.794	76%	0.763	S	S	*	*			cis	-175.1	173.5	4.6	0	0	0	0	0	112.2
172	S	26.7	Very low	28.9	Very low	109 Å²	109	144 Å²	144	76%	0.762	77%	0.774	S	S	*	*			trans	-148.6	154.8	-166.9	66.5	0	0	0	0	116.5
173	Q	28.5	Very low	28.9	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	78%	0.781	S	S	*	*			trans	-177.6	141.8	151.7	-96.5	154	37.5	0	0	108.4
174	L	27.9	Very low	29.4	Very low	126 Å²	126	146.1 Å²	146.1	66%	0.66	78%	0.78	S	S	*	*			cis	75.7	139.9	42.4	-60.9	167.1	0	0	0	112.6
175	W	25.5	Very low	28.8	Very low	202 Å²	202	141.5 Å²	141.5	77%	0.765	78%	0.78	S	S	*	*			cis	-153.5	163.4	16.3	-90.8	111.5	0	0	0	112.2
176	L	24.9	Very low	28.6	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	79%	0.786	S	S	*	*			trans	52.1	134.7	147.3	-62.3	163.2	0	0	0	119.9
177	R	22.3	Very low	29.1	Very low	234 Å²	234	139.6 Å²	139.6	88%	0.883	79%	0.791	S	S	*	*				174.4	149	65	-171.2	158.2	-176.7	152.5	0.8	111.7
178	L	28.3	Very low	29	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	80%	0.801	S	S	*	*			trans	-101.4	168.7	167.3	-84.6	163.4	0	0	0	110.2
179	P	38.8	Very low	29	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	80%	0.798	S	S	*	*			cis	-148.1	179.8	22.6	45.5	-26.3	0	0	0	119.3
180	S	25.6	Very low	29	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	81%	0.805	S	S	*	*			trans	79.1	156	141.5	-71.3	0	0	0	0	124
181	A	25.2	Very low	28.9	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	80%	0.798	S	S	*	*			trans	73.6	142.7	171.8	0	0	0	0	0	116.8
182	D	24.4	Very low	28.8	Very low	161 Å²	161	131.9 Å²	131.9	86%	0.861	80%	0.8	S	S	*	*			cis	-152.3	-180	-3.2	-136.4	-39.4	0	0	0	113.9
183	R	27.6	Very low	29.1	Very low	225 Å²	225	132.4 Å²	132.4	85%	0.849	80%	0.804	S	S	*	*			trans	-106.4	-175.2	173.4	-111.2	-171.7	171.9	-163	-0.3	110.5
184	P	43.5	Very low	29.9	Very low	120 Å²	120	130.1 Å²	130.1	78%	0.779	80%	0.804	S	S	*	*			cis	-127.7	-172.3	-44.2	39.4	-23.9	0	0	0	111.7
185	G	26	Very low	30	Very low	78 Å²	78	127.5 Å²	127.5	80%	0.804	81%	0.807	S	S	*	*			trans	166.9	132.9	158.8	0	0	0	0	0	119.9
186	T	31.1	Very low	30.1	Very low	138 Å²	138	126.5 Å²	126.5	85%	0.847	81%	0.811	S	S	*	*			trans	-138.9	139.6	161.1	45.6	0	0	0	0	107.3
187	P	41.9	Very low	30.2	Very low	128 Å²	128	122.3 Å²	122.3	83%	0.831	80%	0.803	S	S	*	*				-146.4	-172	74.8	40.8	-22.4	0	0	0	113.8
188	G	27.8	Very low	30.5	Very low	81 Å²	81	119.7 Å²	119.7	84%	0.835	80%	0.801	S	S	*	*			cis	122.9	83.5	-14.4	0	0	0	0	0	117.4
189	G	28.5	Very low	30.4	Very low	75 Å²	75	116.6 Å²	116.6	77%	0.773	80%	0.798	S	S	*	*			trans	166.2	150.7	164.7	0	0	0	0	0	117.8
190	A	28.7	Very low	29.8	Very low	107 Å²	107	115.9 Å²	115.9	88%	0.884	80%	0.801	S	S	*	*			trans	63.4	158.6	164.8	0	0	0	0	0	119.9
191	A	26.9	Very low	29.9	Very low	96 Å²	96	116.4 Å²	116.4	79%	0.793	80%	0.804	S	S	*	*			cis	-173.7	146.2	-32.3	0	0	0	0	0	110.1
192	A	25.7	Very low	30.2	Very low	102 Å²	102	121 Å²	121	84%	0.843	81%	0.81	S	S	*	*			trans	-172	133.9	158.2	0	0	0	0	0	114.7
193	S	31.3	Very low	31.1	Very low	119 Å²	119	119 Å²	119	83%	0.832	81%	0.806	S	S	*	*			trans	-153.2	165.2	158.3	-48.2	0	0	0	0	106.8
194	P	46.3	Very low	31.2	Very low	130 Å²	130	111.8 Å²	111.8	84%	0.844	80%	0.802	S	S	*	*				-156.7	178.8	67.6	41.4	-19.7	0	0	0	118.7
195	G	29.4	Very low	30.5	Very low	70 Å²	70	115.9 Å²	115.9	72%	0.722	81%	0.81	S	S	*	*			trans	100.3	162.7	151	0	0	0	0	0	118.5
196	H	28.7	Very low	30.6	Very low	181 Å²	181	115.1 Å²	115.1	84%	0.838	80%	0.802	S	S	*	*			cis	-164.9	163.4	-22.4	-142.3	-86.4	0	0	0	111.9
197	G	25.8	Very low	30.5	Very low	58 Å²	58	117.5 Å²	117.5	60%	0.598	81%	0.809	S	S	*	*			trans	92.2	125.5	173.5	0	0	0	0	0	113.9
198	E	28.1	Very low	29.7	Very low	179 Å²	179	114.5 Å²	114.5	84%	0.836	80%	0.801	S	S	*	*			cis	76.4	135.6	40	-58.8	-172.5	92.5	0	0	113.8
199	A	26.6	Very low	29.8	Very low	91 Å²	91	120.6 Å²	120.6	75%	0.752	81%	0.808	S	S	*	*			cis	-149	146.8	0.6	0	0	0	0	0	109.6
200	A	27.7	Very low	29.7	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	81%	0.811	S	S	*	*				83	144.9	87.6	0	0	0	0	0	118.6
201	S	26.5	Very low	29.8	Very low	121 Å²	121	119.5 Å²	119.5	85%	0.846	81%	0.807	S	S	*	*			trans	93.3	140.7	156.8	-56.6	0	0	0	0	123.1
202	Q	32	Very low	29.8	Very low	188 Å²	188	125.1 Å²	125.1	88%	0.879	81%	0.813	S	S	*	*			trans	-108.3	-155.3	166.4	-52.2	177.1	-65.8	0	0	107.8
203	P	43.9	Very low	29.9	Very low	121 Å²	121	124.6 Å²	124.6	79%	0.786	81%	0.809	S	S	*	*			cis	-139.8	-172.3	-11.8	42.8	-23.7	0	0	0	116.1
204	G	29.2	Very low	29.7	Very low	73 Å²	73	126.7 Å²	126.7	75%	0.753	81%	0.81	S	S	*	*			trans	87.2	166.1	153.8	0	0	0	0	0	118.5
205	E	29.6	Very low	29	Very low	205 Å²	205	125.2 Å²	125.2	96%	0.958	80%	0.803	S	S	*	*			cis	-167.2	168.5	-24.7	-136.7	179.1	-177.2	0	0	110.9
206	G	26.3	Very low	29.8	Very low	62 Å²	62	127.7 Å²	127.7	64%	0.639	81%	0.806	S	S	*	*			trans	112.8	116.5	175.3	0	0	0	0	0	114.7
207	L	28.9	Very low	29.7	Very low	188 Å²	188	124 Å²	124	98%	0.984	81%	0.807	S	S	*	*				77.7	126.1	64.7	-68.7	171.3	0	0	0	114
208	G	26	Very low	29.6	Very low	65 Å²	65	125 Å²	125	67%	0.67	82%	0.818	S	S	*	*			cis	-178.8	-178.4	-2.7	0	0	0	0	0	114
209	E	30.4	Very low	29.7	Very low	210 Å²	210	122.1 Å²	122.1	98%	0.981	82%	0.818	S	S	*	*			trans	47.3	140.7	163.2	-55	-165.2	98.9	0	0	121.5
210	G	26.7	Very low	30.2	Very low	81 Å²	81	124.1 Å²	124.1	84%	0.835	82%	0.823	S	S	*	*			cis	167.9	172.3	-3.8	0	0	0	0	0	112.3
211	G	29	Very low	30.2	Very low	77 Å²	77	125.1 Å²	125.1	79%	0.794	82%	0.824	S	S	*	*			trans	131.5	107.6	165.1	0	0	0	0	0	118.5
212	K	29	Very low	30.3	Very low	214 Å²	214	124.4 Å²	124.4	93%	0.93	82%	0.82	S	S	*	*			trans	1.3	141.1	148.6	-60.2	167.4	-178.2	173.7	0	118.3
213	A	26.8	Very low	30.1	Very low	92 Å²	92	120.5 Å²	120.5	76%	0.76	81%	0.813	S	S	*	*			cis	-167	-155.9	-6.7	0	0	0	0	0	107.6
214	L	28.1	Very low	29.4	Very low	162 Å²	162	121.5 Å²	121.5	85%	0.848	82%	0.817	S	S	*	*			cis	-159.6	179.7	4.4	-133.9	-170.4	0	0	0	108.6
215	S	30.5	Very low	29.1	Very low	100 Å²	100	121.8 Å²	121.8	70%	0.699	82%	0.82	S	S	*	*			trans	-136.5	163.6	171.9	-48	0	0	0	0	110.4
216	P	45.8	Very low	29.1	Very low	121 Å²	121	118 Å²	118	79%	0.786	82%	0.816	S	S	*	*				-131.4	151.1	74	11	13.6	0	0	0	113
217	A	26.6	Very low	29.1	Very low	103 Å²	103	123.6 Å²	123.6	85%	0.851	83%	0.83	S	S	*	*				77.3	125.8	59.5	0	0	0	0	0	114.6
218	G	24.3	Very low	29	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	82%	0.82	S	S	*	*			trans	167.5	65.2	-178.6	0	0	0	0	0	116.1
219	S	29.5	Very low	29.1	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	83%	0.829	S	S	*	*			trans	-92.6	160.9	167.4	-52.5	0	0	0	0	111.3
220	P	38.3	Very low	28.9	Very low	132 Å²	132	126.2 Å²	126.2	86%	0.857	82%	0.822	S	S	*	*				-129.3	170.5	128.3	37.3	-30.9	0	0	0	113.2
221	S	27.4	Very low	28.8	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	81%	0.813	S	S	*	*			trans	-149.7	139.5	-167.8	57.2	0	0	0	0	113.9
222	S	27.4	Very low	28.8	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	82%	0.819	S	S	*	*			trans	-178.8	126.9	155.7	45.5	0	0	0	0	108
223	S	28.6	Very low	28.6	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	82%	0.817	S	S	*	*				69.3	132.6	50.1	86	0	0	0	0	112.2
224	T	28.8	Very low	28.6	Very low	142 Å²	142	134.2 Å²	134.2	87%	0.871	82%	0.817	S	S	*	*			cis	-148.5	169.8	17.8	49.8	0	0	0	0	111.6
225	G	23.8	Very low	28.5	Very low	79 Å²	79	134 Å²	134	81%	0.814	82%	0.815	S	S	*	*			trans	169.4	70.9	168.1	0	0	0	0	0	116.9
226	S	28.4	Very low	28.3	Very low	124 Å²	124	134.9 Å²	134.9	87%	0.867	82%	0.821	S	S	*	*			trans	-103.6	127.7	174.5	-63.2	0	0	0	0	112.2
227	L	26.8	Very low	27.4	Very low	181 Å²	181	134 Å²	134	95%	0.948	82%	0.817	S	S	*	*			trans	-134.9	144.7	160.5	-87.8	173.9	0	0	0	109.9
228	S	27.2	Very low	27.4	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	82%	0.822	S	S	*	*			trans	-141.6	125.4	-175.2	177.9	0	0	0	0	110.4
229	Q	28.1	Very low	27.5	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	82%	0.821	S	S	*	*			trans	172.2	155.8	167.5	-98.8	174.9	91.9	0	0	107.7
230	R	24.9	Very low	27.4	Very low	224 Å²	224	139.2 Å²	139.2	85%	0.845	81%	0.813	S	S	*	*			cis	-161.8	136.8	-31.9	-162.7	179.2	-173.6	-158.9	3	108.3
231	S	25.9	Very low	27	Very low	91 Å²	91	142.5 Å²	142.5	64%	0.636	82%	0.816	S	S	*	*			trans	14.5	123.1	158.7	173	0	0	0	0	120.3
232	H	28.3	Very low	27	Very low	200 Å²	200	149.3 Å²	149.3	93%	0.926	83%	0.825	S	S	*	*			trans	-131.4	144.4	131.7	-92.1	-88.2	0	0	0	110.8
233	R	25.7	Very low	27	Very low	232 Å²	232	147.9 Å²	147.9	88%	0.875	83%	0.827	S	S	*	*			trans	-127.7	123.4	-178.3	-98.5	-171.7	170.4	-162.8	0.2	110.9
234	S	25.4	Very low	26.9	Very low	109 Å²	109	154 Å²	154	76%	0.762	83%	0.834	S	S	*	*			trans	-168.4	119.4	153.1	35.9	0	0	0	0	107
235	I	27.4	Very low	26.7	Very low	159 Å²	159	158.7 Å²	158.7	82%	0.815	84%	0.835	S	S	*	*				60.8	114.6	68.7	-56	163.5	0	0	0	108.8
236	S	25.5	Very low	27	Very low	118 Å²	118	160.1 Å²	160.1	83%	0.825	83%	0.828	S	S	*	*			cis	-148.6	-174.7	35.8	-159.3	0	0	0	0	114.4
237	S	26.2	Very low	26.9	Very low	101 Å²	101	159.2 Å²	159.2	71%	0.706	82%	0.821	S	S	*	*			trans	-112.3	154	-174.8	61.6	0	0	0	0	114.5
238	R	26.8	Very low	26.9	Very low	249 Å²	249	157.2 Å²	157.2	94%	0.94	81%	0.812	S	S	*	*			trans	-169.6	162.3	130.4	-110.4	170.9	173.2	169.8	-3.1	113.5
239	A	27.8	Very low	26.8	Very low	100 Å²	100	159.4 Å²	159.4	83%	0.826	82%	0.815	S	S	*	*			trans	-76.3	167.3	173	0	0	0	0	0	111.5
240	G	26.9	Very low	26.8	Very low	63 Å²	63	154.8 Å²	154.8	65%	0.649	81%	0.808	S	S	*	*			cis	128.5	118.3	-3.8	0	0	0	0	0	113.5
241	H	29.3	Very low	26.9	Very low	201 Å²	201	148.6 Å²	148.6	93%	0.931	81%	0.805	S	S	*	*			trans	-150.6	137	166	-89.5	-82.2	0	0	0	109.1
242	R	28.5	Very low	27	Very low	257 Å²	257	149.8 Å²	149.8	97%	0.97	80%	0.804	S	S	*	*			trans	-100.8	103	-178.6	-77.6	-174.9	172.7	-177.7	-1.7	112
243	G	26.5	Very low	26.9	Very low	76 Å²	76	146.3 Å²	146.3	78%	0.784	80%	0.801	S	S	*	*			trans	-70.9	127.8	169	0	0	0	0	0	112.2	R245	G243-R245 PolarHBondContact O-N 2.96Å
244	R	26	Very low	27	Very low	236 Å²	236	141.3 Å²	141.3	89%	0.891	80%	0.796	S	S	*	*			trans	-87.3	91.6	-174.2	-169.9	-176.4	-168	-143.5	7.5	111.3
245	R	26.2	Very low	27	Very low	240 Å²	240	144.1 Å²	144.1	91%	0.906	80%	0.801	S	S	*	*			trans	-66.3	134.5	172.2	-64.6	-172.6	-171	-111.1	2.9	110.6	G243	G243-R245 PolarHBondContact O-N 2.96Å
246	V	28.4	Very low	26.8	Very low	108 Å²	108	142.1 Å²	142.1	66%	0.655	79%	0.792	S	S	*	*			trans	-102.1	115.4	169.6	176.7	0	0	0	0	107.9	N248	V246-N248 PolarHBondContact O-N 2.92Å
247	S	26.2	Very low	26.8	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	79%	0.793	S	S	*	*			trans	-79.6	103.6	176.1	-55.4	0	0	0	0	110.4
248	N	27.1	Very low	26.7	Very low	139 Å²	139	143.9 Å²	143.9	74%	0.743	79%	0.791	S	S	*	*			trans	-99.3	89	169.7	-77.6	-11.9	0	0	0	109.5	V246 A250	V246-N248 PolarHBondContact O-N 2.92Å; N248-A250 PolarHBondContact O-N 3.44Å
249	D	26.5	Very low	26.7	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	79%	0.785	S	S	*	*			trans	-74.7	74	171.8	-76.6	-60.9	0	0	0	111.2
250	A	28	Very low	26.6	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	78%	0.784	S	S	*	*			trans	-122.9	52.9	174.1	0	0	0	0	0	110.3	N248 D252	N248-A250 PolarHBondContact O-N 3.44Å; A250-D252 PolarHBondContact O-N 2.93Å
251	A	27.1	Very low	26.5	Very low	95 Å²	95	145.5 Å²	145.5	79%	0.785	79%	0.792	S	S	*	*			trans	-74.6	71.1	175.9	0	0	0	0	0	111.6	C253	A251-C253 PolarHBondContact O-N 2.81Å
252	D	27.3	Very low	26.3	Very low	116 Å²	116	143.5 Å²	143.5	62%	0.62	79%	0.787	S	S	*	*			trans	-64	124.9	164.1	-117	-6.3	0	0	0	108.1	A250 V254 R519	A250-D252 PolarHBondContact O-N 2.93Å; D252-V254 PolarHBondContact O-N 2.83Å; D252-R519 IonicContact OD2-NH1 3Å
253	C	26.5	Very low	26.1	Very low	126 Å²	126	135.8 Å²	135.8	85%	0.851	78%	0.778	S	S	*	*			trans	-74.7	87.4	-178.5	-61.8	0	0	0	0	111.1	A251 L255	A251-C253 PolarHBondContact O-N 2.81Å; C253-L255 PolarHBondContact O-N 3.37Å
254	V	27.4	Very low	26.1	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	78%	0.781	S	S	*	*			trans	-69.1	116.4	166.8	-179.1	0	0	0	0	108.7	D252 D256	D252-V254 PolarHBondContact O-N 2.83Å; V254-D256 PolarHBondContact O-N 3.26Å
255	L	25.9	Very low	26.1	Very low	168 Å²	168	132.7 Å²	132.7	88%	0.88	77%	0.774	S	S	*	*			trans	-77.4	107	163.2	-71.3	171	0	0	0	107.7	C253	C253-L255 PolarHBondContact O-N 3.37Å
256	D	23.5	Very low	26.1	Very low	116 Å²	116	128.2 Å²	128.2	62%	0.62	77%	0.768	S	S	*	*			trans	-82.9	138.7	170.8	-177.5	46.9	0	0	0	111.2	V254 S258	V254-D256 PolarHBondContact O-N 3.26Å; D256-S258 VanDerWaalsContact OD2-CB 3.29Å; D256-S258 WeakPolarHBondContact OD2-CB 3.44Å; D256-S258 PolarHBondContact OD2-N 3.29Å; D256-S258 PolarHBondContact OD2-OG 3.08Å
257	L	24.6	Very low	26	Very low	161 Å²	161	132.2 Å²	132.2	84%	0.843	78%	0.78	S	S	*	*			trans	-119.5	65.1	175.1	-89.1	166.8	0	0	0	108.8	V259	L257-V259 PolarHBondContact O-N 3.06Å
258	S	24.1	Very low	25.9	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	78%	0.783	S	S	*	*			trans	-61.5	93.1	175	-87	0	0	0	0	112.3	D256	D256-S258 VanDerWaalsContact OD2-CB 3.29Å; D256-S258 WeakPolarHBondContact OD2-CB 3.44Å; D256-S258 PolarHBondContact OD2-N 3.29Å; D256-S258 PolarHBondContact OD2-OG 3.08Å
259	V	27.6	Very low	26.9	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-77.9	117.7	164.1	178.2	0	0	0	0	108.5	L257	L257-V259 PolarHBondContact O-N 3.06Å
260	K	25.1	Very low	26.8	Very low	187 Å²	187	130.6 Å²	130.6	81%	0.813	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-73.1	127.3	174.7	-68.5	179	179	176.3	0	110.5
261	P	24.8	Very low	26.7	Very low	125 Å²	125	136 Å²	136	81%	0.812	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-71.9	136.8	160.7	30.7	-32.1	0	0	0	109.7
262	I	25.3	Very low	26.5	Very low	159 Å²	159	140.1 Å²	140.1	82%	0.815	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-85.4	132.5	169.9	-66.8	172.8	0	0	0	108.2
263	A	23.1	Very low	26.6	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-79.4	139.1	176.5	0	0	0	0	0	111.5
264	V	27.2	Very low	26.5	Very low	141 Å²	141	137.9 Å²	137.9	86%	0.855	78%	0.78	S	S	*	*			trans	-132	148.4	167.7	-178.1	0	0	0	0	108.2
265	S	25.9	Very low	26.4	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.787	S	S	*	*			trans	-68.5	153.8	-163	-173.7	0	0	0	0	115.8
266	N	26	Very low	26.5	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	78%	0.784	S	S	*	*			trans	-54.9	146.7	162	-61.4	-41.7	0	0	0	112.4
267	H	26	Very low	26.7	Very low	192 Å²	192	134.7 Å²	134.7	89%	0.889	79%	0.794	S	S	*	*			trans	-154.8	152.3	134.6	-98.2	-71.9	0	0	0	109.9
268	H	25.5	Very low	27.6	Very low	175 Å²	175	131.9 Å²	131.9	81%	0.81	79%	0.786	S	S	*	*			trans	-165.3	156	-167.7	-161.6	-112	0	0	0	108.3
269	P	47.6	Very low	27.7	Very low	95 Å²	95	134.5 Å²	134.5	62%	0.617	79%	0.792	S	S	*	*			cis	-124.6	-164.7	-33.9	36.9	-19.7	0	0	0	111.7
270	S	24.3	Very low	27.7	Very low	96 Å²	96	132.8 Å²	132.8	67%	0.671	79%	0.786	S	S	*	*				149.8	160.6	110.9	68.3	0	0	0	0	117.9
271	Y	25.4	Very low	27.8	Very low	199 Å²	199	130.2 Å²	130.2	78%	0.78	78%	0.781	S	S	*	*			trans	65.7	105.6	159.4	-74.5	-75.6	0	0	0	124.4
272	F	23.8	Very low	28	Very low	181 Å²	181	132.8 Å²	132.8	79%	0.794	78%	0.782	S	S	*	*				74.8	109.1	125.8	-96.8	-125.4	0	0	0	123.9
273	S	28.6	Very low	28.1	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	78%	0.781	S	S	*	*				61.1	135.3	111.2	-153.1	0	0	0	0	122.5
274	G	25	Very low	28.9	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	78%	0.777	S	S	*	*			trans	160.5	112.9	164.6	0	0	0	0	0	113.6
275	A	25.9	Very low	28.9	Very low	111 Å²	111	132.6 Å²	132.6	92%	0.917	78%	0.778	S	S	*	*			trans	-99.2	153.8	-171.2	0	0	0	0	0	114.9
276	A	27.6	Very low	28.9	Very low	99 Å²	99	132.1 Å²	132.1	82%	0.818	78%	0.781	S	S	*	*			trans	-159.7	153	155.9	0	0	0	0	0	111.7
277	T	27.8	Very low	28.8	Very low	136 Å²	136	131.8 Å²	131.8	83%	0.834	78%	0.784	S	S	*	*			trans	-151.2	174.5	179.6	52.5	0	0	0	0	108.8
278	P	43.5	Very low	28.8	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	79%	0.785	S	S	*	*			cis	-124.9	-159.5	-32.5	33.9	-14.4	0	0	0	111.4
279	D	25.3	Very low	28.7	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	78%	0.784	S	S	*	*			trans	68.7	137.1	154.1	-74.1	-26.9	0	0	0	119.8
280	S	27	Very low	27.6	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	79%	0.789	S	S	*	*			cis	-163.2	-177.6	1.2	-158.5	0	0	0	0	112.9
281	L	27.8	Very low	27.6	Very low	133 Å²	133	136.9 Å²	136.9	70%	0.696	79%	0.793	S	S	*	*			trans	73.7	105.2	162.7	-55	-176.7	0	0	0	121.8
282	Q	30.2	Very low	27.6	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	79%	0.79	S	S	*	*				69.9	94.2	125.2	-66.6	170.2	-13.9	0	0	121.5
283	S	27.1	Very low	27.7	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	79%	0.794	S	S	*	*			trans	-43	163.6	142.6	-51.7	0	0	0	0	113.9
284	P	40.1	Very low	27.5	Very low	108 Å²	108	135 Å²	135	70%	0.701	79%	0.792	S	S	*	*			cis	-151.4	167.3	32.2	42.7	-21.4	0	0	0	121.1
285	L	25.4	Very low	27.6	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	79%	0.792	S	S	*	*			trans	60.9	109.4	146.4	-72.6	163.3	0	0	0	121.2
286	A	26.3	Very low	27.5	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	79%	0.787	S	S	*	*				-171	126.6	115.4	0	0	0	0	0	111.9
287	V	24.2	Very low	27.5	Very low	140 Å²	140	136.7 Å²	136.7	85%	0.848	78%	0.778	S	S	*	*			trans	-123.4	123	167.9	176.8	0	0	0	0	109
288	R	25.9	Very low	27.5	Very low	243 Å²	243	137 Å²	137	92%	0.917	78%	0.775	S	S	*	*			trans	-94.4	129.2	170.6	-71.7	-176.8	175.9	-176.7	-0.8	109.6
289	V	23.6	Very low	26.9	Very low	131 Å²	131	140.6 Å²	140.6	79%	0.794	78%	0.783	S	S	*	*			trans	-89.1	131.5	165.1	178.5	0	0	0	0	108.4	V291	V289-V291 HydrophobicContact CG1-CG2 4.46Å
290	K	24	Very low	27.1	Very low	163 Å²	163	139.9 Å²	139.9	71%	0.709	78%	0.779	S	S	*	*			trans	-109.4	130.1	170.8	-169.2	-173.1	178.9	-161.4	0	108.5	E292	K290-E292 WeakPolarHBondContact CE-OE1 3.22Å; K290-E292 IonicContact NZ-OE1 2.65Å; K290-E292 PolarHBondContact NZ-OE1 3.44Å; K290-E292 IonicContact NZ-OE2 3.51Å
291	V	25.3	Very low	27.3	Very low	127 Å²	127	143 Å²	143	77%	0.77	78%	0.783	S	S	*	*			trans	-109.6	135	172.3	175.1	0	0	0	0	107.8	V289	V289-V291 HydrophobicContact CG1-CG2 4.46Å
292	E	24.6	Very low	27.4	Very low	151 Å²	151	143.3 Å²	143.3	71%	0.706	78%	0.781	S	S	*	*			trans	-126.3	156.3	169.7	-70.3	-170.5	151.4	0	0	110.4	K290	K290-E292 WeakPolarHBondContact CE-OE1 3.22Å; K290-E292 IonicContact NZ-OE1 2.65Å; K290-E292 PolarHBondContact NZ-OE1 3.44Å; K290-E292 IonicContact NZ-OE2 3.51Å
293	R	26.3	Very low	27.5	Very low	234 Å²	234	142.1 Å²	142.1	88%	0.883	78%	0.779	S	S	*	*			trans	-139.6	117.3	-172.2	-179.5	-176.5	-175.8	179.8	1.9	108.3
294	G	23.7	Very low	27.4	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	78%	0.781	S	S	*	*			trans	-94.6	151.6	176	0	0	0	0	0	112.7
295	V	27.6	Very low	26.8	Very low	131 Å²	131	139.3 Å²	139.3	79%	0.794	79%	0.788	S	S	*	*			trans	-140.3	135.2	167.7	-179.5	0	0	0	0	106.8
296	A	23.8	Very low	26.9	Very low	100 Å²	100	135 Å²	135	83%	0.826	79%	0.785	S	S	*	*			trans	-157	166.7	171.3	0	0	0	0	0	108.7
297	S	27	Very low	26.8	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	78%	0.78	S	S	*	*			trans	-142.6	167.4	-158.6	-43.5	0	0	0	0	113.7
298	D	28.6	Very low	27	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	78%	0.781	S	S	*	*			trans	69.5	159.6	148.5	-47.5	-36.4	0	0	0	121.4
299	E	31.6	Very low	27.1	Very low	177 Å²	177	135 Å²	135	83%	0.827	77%	0.77	S	S	*	*			trans	69.6	139.3	163.4	-57.1	-179.8	-169.2	0	0	118.7
300	D	28.9	Very low	27.6	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	77%	0.768	S	S	*	*			cis	-169.7	174.5	-24.6	-123.5	-29.9	0	0	0	112.1
301	E	31.5	Very low	27.9	Very low	164 Å²	164	135.9 Å²	135.9	77%	0.766	77%	0.769	S	S	*	*			trans	62.6	160.7	157.3	-65.1	-83.9	98.7	0	0	120.2
302	E	28.8	Very low	28.2	Very low	139 Å²	139	138.1 Å²	138.1	65%	0.65	77%	0.771	S	S	*	*			cis	-161.9	-171.6	-36.7	-151.3	-118.2	137.7	0	0	109.3
303	L	33	Very low	28.5	Very low	153 Å²	153	135.7 Å²	135.7	80%	0.801	77%	0.771	S	S	*	*			trans	70	137.2	174.5	-45.3	174.8	0	0	0	116.6
304	G	26.2	Very low	28.4	Very low	82 Å²	82	127.4 Å²	127.4	85%	0.845	76%	0.758	S	S	*	*			cis	137.1	135.3	1.5	0	0	0	0	0	110.4
305	G	27.2	Very low	28.7	Very low	82 Å²	82	132.8 Å²	132.8	85%	0.845	77%	0.769	S	S	*	*			cis	-178.4	-170.4	-2.1	0	0	0	0	0	110.9
306	G	26.9	Very low	28.6	Very low	79 Å²	79	130.3 Å²	130.3	81%	0.814	77%	0.769	S	S	*	*			trans	90.7	107.7	176.4	0	0	0	0	0	114
307	D	24.1	Very low	28.8	Very low	129 Å²	129	135.2 Å²	135.2	69%	0.69	77%	0.772	S	S	*	*			cis	89.3	110.2	35.6	-167.7	25.9	0	0	0	115	N309	D307-N309 PolarHBondContact OD1-N 2.73Å; D307-N309 PolarHBondContact OD1-ND2 3.19Å
308	Y	28.3	Very low	28.7	Very low	223 Å²	223	137.3 Å²	137.3	88%	0.875	78%	0.781	S	S	*	*			trans	-148.5	121.8	131.6	52.5	-90.9	0	0	0	110.5
309	N	29	Very low	28.5	Very low	128 Å²	128	139 Å²	139	68%	0.684	78%	0.784	S	S	*	*			trans	-77.2	-179.2	169.6	-86.9	-91.4	0	0	0	110.3	D307	D307-N309 PolarHBondContact OD1-N 2.73Å; D307-N309 PolarHBondContact OD1-ND2 3.19Å
310	M	33.3	Very low	28.4	Very low	153 Å²	153	136.3 Å²	136.3	75%	0.754	78%	0.78	S	S	*	*			cis	-171.1	165.9	46.4	-167.4	68.9	172.1	0	0	112.4
311	E	30.6	Very low	28.9	Very low	158 Å²	158	135.6 Å²	135.6	74%	0.738	78%	0.783	S	S	*	*			trans	70.7	142.4	171.7	-79.8	-153.8	-111.2	0	0	117.3
312	H	30.6	Very low	28.7	Very low	175 Å²	175	132.8 Å²	132.8	81%	0.81	78%	0.781	S	S	*	*			cis	-157	-173.1	-18.4	-137.7	10.4	0	0	0	108.2
313	S	31	Very low	28.6	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	79%	0.789	S	S	*	*			cis	-150.4	170.6	11.3	46.4	0	0	0	0	111
314	G	25.5	Very low	28.4	Very low	60 Å²	60	131.6 Å²	131.6	62%	0.619	79%	0.794	S	S	*	*			trans	-84.5	-176.5	173	0	0	0	0	0	113.6
315	L	28.9	Very low	28.3	Very low	188 Å²	188	131.8 Å²	131.8	98%	0.984	80%	0.796	S	S	*	*			cis	-153.5	160.1	13.6	-75.2	167.6	0	0	0	111
316	G	26.7	Very low	28.2	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	79%	0.792	S	S	*	*			trans	163.2	119.9	160.4	0	0	0	0	0	114.7
317	K	27.5	Very low	28.2	Very low	202 Å²	202	137.9 Å²	137.9	88%	0.878	80%	0.797	S	S	*	*			trans	-128.1	132.8	176.2	-70.4	179.1	178	178	0	111
318	T	24.5	Very low	28.4	Very low	134 Å²	134	136 Å²	136	82%	0.822	79%	0.794	S	S	*	*			trans	170.6	154	146.5	38.1	0	0	0	0	109.5
319	Q	25.1	Very low	28.4	Very low	178 Å²	178	133.4 Å²	133.4	83%	0.832	79%	0.79	S	S	*	*			cis	-169.7	147.2	-28.3	-176.4	164.4	-7.5	0	0	107
320	V	29.9	Very low	28.4	Very low	122 Å²	122	135.6 Å²	135.6	74%	0.739	80%	0.795	S	S	*	*			trans	-102.2	145.5	179.8	-145.6	0	0	0	0	110.1
321	P	39	Very low	28	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	79%	0.791	S	S	*	*				-132.8	150.2	94.7	17.1	4.2	0	0	0	112.1
322	S	26.1	Very low	27.9	Very low	105 Å²	105	131 Å²	131	73%	0.734	80%	0.799	S	S	*	*			cis	81.1	110.2	42.9	-165.6	0	0	0	0	114.4
323	A	27	Very low	27.6	Very low	99 Å²	99	126 Å²	126	82%	0.818	80%	0.795	S	S	*	*			trans	-154	138.6	166.1	0	0	0	0	0	110.3
324	N	28.3	Very low	27.3	Very low	168 Å²	168	124.9 Å²	124.9	90%	0.898	80%	0.799	S	S	*	*			trans	-87.4	162.3	-170.1	-59	-49.5	0	0	0	113.7
325	G	25.7	Very low	28.2	Very low	86 Å²	86	127.8 Å²	127.8	89%	0.887	81%	0.807	S	S	*	*			trans	-176	63.4	173.2	0	0	0	0	0	115.6
326	C	25	Very low	28.1	Very low	113 Å²	113	126.8 Å²	126.8	76%	0.764	80%	0.802	S	S	*	*			trans	-101.7	133	176.9	-177.7	0	0	0	0	111.8
327	L	26	Very low	28.1	Very low	175 Å²	175	127.8 Å²	127.8	92%	0.916	80%	0.797	S	S	*	*			trans	-147.6	153.2	160.1	-92	179.3	0	0	0	110.2
328	S	27.8	Very low	28.1	Very low	91 Å²	91	122.7 Å²	122.7	64%	0.636	79%	0.792	S	S	*	*			trans	-140.9	179	-169.9	-68.3	0	0	0	0	111.7
329	H	29.5	Very low	28.4	Very low	168 Å²	168	123.9 Å²	123.9	78%	0.778	79%	0.789	S	S	*	*			trans	76.1	156	177.9	-58.6	-103.2	0	0	0	115.1
330	H	27.7	Very low	28.6	Very low	173 Å²	173	125.7 Å²	125.7	80%	0.801	79%	0.788	S	S	*	*			cis	-135.3	165.6	8.5	-124.5	-73.6	0	0	0	111.6
331	G	25.3	Very low	28.7	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	80%	0.795	S	S	*	*			trans	-129.6	146.9	172.9	0	0	0	0	0	113.8
332	V	29.4	Very low	28.3	Very low	150 Å²	150	134.2 Å²	134.2	91%	0.909	80%	0.804	S	S	*	*			trans	-152.4	142	171.6	-172.9	0	0	0	0	103.7
333	G	24.9	Very low	28.5	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	80%	0.804	S	S	*	*			cis	133.4	113.4	21	0	0	0	0	0	105.9
334	G	23.5	Very low	28.7	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	81%	0.809	S	S	*	*			trans	-84.5	-153.6	-172.9	0	0	0	0	0	113.8
335	P	45.1	Very low	29	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	81%	0.811	S	S	*	*			cis	-126.4	-170.8	-4	42.6	-28.1	0	0	0	112.6
336	L	27.2	Very low	29.3	Very low	167 Å²	167	137.3 Å²	137.3	87%	0.874	80%	0.798	S	S	*	*			trans	-179.8	174.8	130.3	-100.4	169.8	0	0	0	113.7
337	S	26.5	Very low	29.6	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	80%	0.801	S	S	*	*			trans	-99.6	139.1	-163.8	55.9	0	0	0	0	116.2
338	A	27.9	Very low	30	Very low	95 Å²	95	140.6 Å²	140.6	79%	0.785	80%	0.802	S	S	*	*			trans	27.4	110.5	144.8	0	0	0	0	0	120.1
339	Q	30.3	Very low	30.2	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	81%	0.81	S	S	*	*			trans	-154	139	143.4	-164.2	56.7	-76.1	0	0	113.4
340	R	28.4	Very low	30.4	Very low	216 Å²	216	138.1 Å²	138.1	82%	0.815	81%	0.809	S	S	*	*			trans	54	131.2	160.6	-77.7	163.9	-162.7	-148.7	-1.1	122.7
341	R	31.3	Very low	30.6	Very low	238 Å²	238	138.1 Å²	138.1	90%	0.898	81%	0.814	S	S	*	*			trans	-55.2	142	153.9	-53	167.7	176.3	-151.3	-0.8	111.5
342	L	31.1	Very low	31	Very low	183 Å²	183	146.5 Å²	146.5	96%	0.958	83%	0.825	S	S	*	*			trans	162.1	132.4	137.6	-90.3	163	0	0	0	107.6
343	G	30.5	Very low	31.2	Very low	71 Å²	71	148.7 Å²	148.7	73%	0.732	83%	0.826	S	S	*	*			trans	140.1	41.1	179	0	0	0	0	0	117.4
344	L	32.2	Very low	31.3	Very low	178 Å²	178	150.1 Å²	150.1	93%	0.932	83%	0.831	S	S	*	*			trans	-114	17	169.6	-148.2	80.4	0	0	0	113.4
345	E	33	Very low	31.5	Very low	198 Å²	198	152.3 Å²	152.3	93%	0.925	83%	0.834	S	S	*	*			trans	-120	63.8	172.8	-68.8	-157.9	123.2	0	0	110.5
346	A	33.6	Very low	30.6	Very low	76 Å²	76	154.8 Å²	154.8	63%	0.628	84%	0.84	S	S	*	*	S	Bend	trans	-137.9	4.4	-179.4	0	0	0	0	0	114.6
347	H	31.6	Very low	30.6	Very low	178 Å²	178	151 Å²	151	82%	0.824	83%	0.832	S	S	*	*	S	Bend	trans	-131	11.3	-174.3	-81.8	-64.2	0	0	0	115.5
348	L	32.9	Very low	30.6	Very low	178 Å²	178	150.9 Å²	150.9	93%	0.932	83%	0.832	S	S	*	*	S	Bend	trans	-117.9	24.9	178.1	-68.6	178.3	0	0	0	114.2
349	S	31.6	Very low	30.7	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	83%	0.826	S	S	*	*	S	Bend	trans	-126.3	9.5	-179.3	-47.9	0	0	0	0	114.4
350	A	34.2	Very low	30.6	Very low	91 Å²	91	152.3 Å²	152.3	75%	0.752	83%	0.826	S	S	*	*	S	Bend	trans	-100.5	7.3	-169	0	0	0	0	0	115.5
351	L	31.5	Very low	30.5	Very low	172 Å²	172	148.1 Å²	148.1	90%	0.901	82%	0.815	S	S	*	*	S	Bend	trans	-141.5	71.9	178.8	-75.1	176.8	0	0	0	111.1
352	R	34	Very low	30.4	Very low	241 Å²	241	145.5 Å²	145.5	91%	0.909	81%	0.806	S	S	*	*	S	Bend	trans	-150.3	-12.5	167.9	-128.2	174.8	-168.3	163.8	5	118.4
353	E	34.9	Very low	30.2	Very low	197 Å²	197	143 Å²	143	92%	0.921	79%	0.793	S	S	*	*			trans	-129.8	97.7	177.3	-69.8	-172.6	-168.1	0	0	112
354	A	27.1	Very low	30.1	Very low	99 Å²	99	147.5 Å²	147.5	82%	0.818	80%	0.795	S	S	*	*			trans	-158.2	142.8	159.1	0	0	0	0	0	109.2
355	S	26.6	Very low	29.8	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	79%	0.789	S	S	*	*			trans	67.5	75.8	169.2	-163.9	0	0	0	0	117.9
356	L	26.5	Very low	29.9	Very low	173 Å²	173	143.6 Å²	143.6	91%	0.906	78%	0.779	S	S	*	*			trans	-120.6	136.3	146.9	-109.7	176.6	0	0	0	108.4
357	A	26.3	Very low	30.6	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	78%	0.784	S	S	*	*			trans	62.2	146.2	-177	0	0	0	0	0	114.8
358	S	26.8	Very low	30.2	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	78%	0.78	S	S	*	*			cis	-163.1	179	-7.8	-110.3	0	0	0	0	107.5
359	E	29.8	Very low	29.9	Very low	142 Å²	142	138 Å²	138	66%	0.664	77%	0.772	S	S	*	*			cis	-156.3	158.7	21.1	-113	-38.7	68.2	0	0	109
360	L	28.8	Very low	29.6	Very low	142 Å²	142	136.8 Å²	136.8	74%	0.743	77%	0.77	S	S	*	*			trans	63.5	143	145.6	-65.7	169.6	0	0	0	119.8
361	E	27.1	Very low	29.2	Very low	128 Å²	128	137.3 Å²	137.3	60%	0.598	77%	0.774	S	S	*	*			cis	-140.4	162.5	7.6	-64.6	-165.4	100.3	0	0	112.8
362	R	29.1	Very low	29.1	Very low	183 Å²	183	133 Å²	133	69%	0.691	76%	0.763	S	S	*	*			trans	35.6	140.8	138.1	-64.9	-176.3	-79.7	124.2	-8.6	120.7
363	D	27.1	Very low	28.7	Very low	130 Å²	130	128.7 Å²	128.7	70%	0.695	76%	0.758	S	S	*	*			cis	-165.4	168.4	5.6	-123.2	-47.5	0	0	0	112.5
364	E	27.7	Very low	28.4	Very low	167 Å²	167	127.9 Å²	127.9	78%	0.78	76%	0.755	S	S	*	*			trans	41.2	144.4	151.9	-83.8	-80.4	61.4	0	0	126.1
365	K	25	Very low	28.3	Very low	184 Å²	184	130.6 Å²	130.6	80%	0.8	76%	0.755	S	S	*	*			trans	-170.6	125.8	158	-178.6	168	-177.4	175.9	0	109.4
366	P	36.7	Very low	28.6	Very low	110 Å²	110	133 Å²	133	71%	0.714	76%	0.757	S	S	*	*				-148.7	-147.2	80.9	45.6	-23.3	0	0	0	114.6
367	P	47.8	Very low	28.8	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	75%	0.75	S	S	*	*				-131.5	161.8	-117.6	38.6	-18.2	0	0	0	117.5
368	A	23.8	Very low	28.8	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	75%	0.753	S	S	*	*			trans	-173.4	154.9	148.3	0	0	0	0	0	115.9
369	S	25.1	Very low	28.8	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	75%	0.749	S	S	*	*			trans	62.1	122.9	141.2	63.5	0	0	0	0	124.1
370	A	26.1	Very low	28.6	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	76%	0.762	S	S	*	*				78.4	104.6	124.2	0	0	0	0	0	123
371	A	26.1	Very low	28.4	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	77%	0.766	S	S	*	*				86.1	143.4	117.8	0	0	0	0	0	122.8
372	A	27.8	Very low	28.3	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	78%	0.782	S	S	*	*			trans	72.1	118	158.7	0	0	0	0	0	120.4
373	N	26.1	Very low	28.2	Very low	152 Å²	152	135 Å²	135	81%	0.813	79%	0.791	S	S	*	*				42.9	154.4	125.5	-39.3	-3.3	0	0	0	120.2
374	E	28.1	Very low	28.2	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	80%	0.8	S	S	*	*			cis	-137.8	-178.5	18.4	-75.2	-177.6	153.4	0	0	112.6
375	D	26.8	Very low	28	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	80%	0.799	S	S	*	*			trans	-72.2	161.7	-177.4	-51.3	-98.1	0	0	0	115.9
376	I	33.1	Very low	28.3	Very low	174 Å²	174	131.4 Å²	131.4	89%	0.892	81%	0.805	S	S	*	*			trans	-164.5	142	139.7	-102.5	153.3	0	0	0	109.8
377	E	29.1	Very low	27.7	Very low	164 Å²	164	132.7 Å²	132.7	77%	0.766	81%	0.806	S	S	*	*			trans	-85.8	151	-178.8	-51.3	178.9	125.7	0	0	113.1
378	H	26.4	Very low	27	Very low	169 Å²	169	133.7 Å²	133.7	78%	0.782	81%	0.805	S	S	*	*				-176.5	134.5	106.4	-114.2	42.8	0	0	0	116.4
379	A	28.2	Very low	27.4	Very low	72 Å²	72	133.6 Å²	133.6	60%	0.595	80%	0.799	S	S	*	*			trans	46.9	121.2	135	0	0	0	0	0	124
380	Q	25.2	Very low	27.8	Very low	203 Å²	203	135.2 Å²	135.2	95%	0.949	80%	0.798	S	S	*	*			trans	76.4	138.5	135.3	-64.5	172.5	2.8	0	0	121
381	G	25	Very low	28.3	Very low	79 Å²	79	137 Å²	137	81%	0.814	79%	0.794	S	S	*	*			trans	154.4	100.4	171.7	0	0	0	0	0	113.1
382	E	25.1	Very low	28.7	Very low	203 Å²	203	136 Å²	136	95%	0.949	78%	0.779	S	S	*	*			trans	-86.6	137.4	176.6	-61.5	173.9	103.8	0	0	112.3
383	A	25.4	Very low	28.7	Very low	106 Å²	106	139.4 Å²	139.4	88%	0.876	78%	0.776	S	S	*	*			trans	-174.6	137.5	139.4	0	0	0	0	0	110.7
384	A	27	Very low	29.1	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	77%	0.765	S	S	*	*			trans	-99.5	128.4	174.2	0	0	0	0	0	111.6
385	S	24.3	Very low	29.3	Very low	108 Å²	108	132 Å²	132	76%	0.755	75%	0.751	S	S	*	*			trans	-142.1	92.5	158.2	-168.8	0	0	0	0	109.8	D387	S385-D387 PolarHBondContact O-N 3.42Å
386	M	30.4	Very low	29.6	Very low	190 Å²	190	129.9 Å²	129.9	94%	0.936	74%	0.74	S	S	*	*			trans	-82.9	93.1	170.1	-82.1	-174.3	156.2	0	0	109.1	N388	M386-N388 PolarHBondContact O-N 3.25Å; M386-N388 VanDerWaalsContact O-N 3.15Å
387	D	25.6	Very low	29.6	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	72%	0.722	S	S	*	*			trans	-63.9	114	-179.2	-129.8	-36	0	0	0	111	S385 S389	S385-D387 PolarHBondContact O-N 3.42Å; D387-S389 PolarHBondContact O-N 3.31Å
388	N	31.7	Very low	30.3	Very low	133 Å²	133	125.4 Å²	125.4	71%	0.711	72%	0.721	S	S	*	*			trans	-85.5	62.9	-160.4	-157.8	-12.2	0	0	0	111.7	M386 L390	M386-N388 PolarHBondContact O-N 3.25Å; M386-N388 VanDerWaalsContact O-N 3.15Å; N388-L390 PolarHBondContact O-N 3.21Å
389	S	33.7	Very low	30.7	Very low	88 Å²	88	120.5 Å²	120.5	62%	0.615	71%	0.705	S	S	*	*			trans	-73.6	54.5	-166.9	-70.1	0	0	0	0	115.2	D387 P392	D387-S389 PolarHBondContact O-N 3.31Å; S389-P392 VanDerWaalsContact O-CD 3.28Å; S389-P392 WeakPolarHBondContact O-CD 3.45Å
390	L	32.5	Very low	31.5	Very low	144 Å²	144	121.8 Å²	121.8	75%	0.754	72%	0.716	S	S	*	*			trans	-94.3	3.2	166.2	-66.6	178.3	0	0	0	113.3	N388	N388-L390 PolarHBondContact O-N 3.21Å
391	L	37.7	Very low	32.3	Very low	131 Å²	131	120.1 Å²	120.1	69%	0.686	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.5	174.7	-68	177.7	0	0	0	118	Y393 V394 S395	L391-Y393 PolarHBondContact O-N 2.99Å; L391-Y393 VanDerWaalsContact O-N 3.15Å; L391-V394 PolarHBondContact O-N 3.42Å; L391-S395 PolarHBondContact O-N 3.21Å
392	P	33.8	Very low	33.2	Very low	79 Å²	79	124.4 Å²	124.4	51%	0.513	71%	0.707	S	S	.	*	H	α-helix	trans	-54.4	-36.8	177.2	-28	35.5	0	0	0	113.7	S389 V394 S395 N396	S389-P392 VanDerWaalsContact O-CD 3.28Å; S389-P392 WeakPolarHBondContact O-CD 3.45Å; P392-V394 VanDerWaalsContact C-N 3.32Å; P392-V394 PolarHBondContact O-N 3.04Å; P392-S395 PolarHBondContact O-N 3.47Å; P392-N396 PolarHBondContact O-N 2.84Å
393	Y	27.9	Very low	34.1	Very low	154 Å²	154	119.3 Å²	119.3	60%	0.604	69%	0.689	S	S	*	*	H	α-helix	trans	-66.9	-29.8	-176	-168.3	-95.4	0	0	0	113.8	L391 I420	L391-Y393 PolarHBondContact O-N 2.99Å; L391-Y393 VanDerWaalsContact O-N 3.15Å; Y393-I420 VanDerWaalsContact OH-CD1 3.25Å; Y393-I420 WeakPolarHBondContact OH-CD1 3.43Å
394	V	33.9	Very low	35.4	Very low	95 Å²	95	119.7 Å²	119.7	58%	0.576	67%	0.673	S	S	*	*	H	α-helix	trans	-88.2	-35.8	179.7	-173.5	0	0	0	0	110.9	L391 P392 M397	L391-V394 PolarHBondContact O-N 3.42Å; P392-V394 VanDerWaalsContact C-N 3.32Å; P392-V394 PolarHBondContact O-N 3.04Å; V394-M397 PolarHBondContact O-N 2.88Å
395	S	32.2	Very low	36.8	Very low	80 Å²	80	120.5 Å²	120.5	56%	0.559	66%	0.662	S	S	*	*	H	α-helix	trans	-67.6	-37	-180	-157.5	0	0	0	0	112.6	L391 P392 M397 L398	L391-S395 PolarHBondContact O-N 3.21Å; P392-S395 PolarHBondContact O-N 3.47Å; S395-M397 PolarHBondContact O-N 3.49Å; S395-M397 VanDerWaalsContact O-N 3.12Å; S395-L398 PolarHBondContact O-N 3.11Å; S395-L398 VanDerWaalsContact O-N 3.08Å
396	N	33.1	Very low	38.6	Very low	112 Å²	112	118 Å²	118	60%	0.599	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-7.5	178.2	-81.5	7.6	0	0	0	114.6	P392 L398	P392-N396 PolarHBondContact O-N 2.84Å; N396-L398 PolarHBondContact O-N 3.44Å
397	M	34	Very low	40	Very low	101 Å²	101	113.9 Å²	113.9	50%	0.498	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-2.3	170.6	-63.7	-69.6	94.6	0	0	113.5	V394 S395 P416	V394-M397 PolarHBondContact O-N 2.88Å; S395-M397 PolarHBondContact O-N 3.49Å; S395-M397 VanDerWaalsContact O-N 3.12Å; M397-P416 HydrophobicContact CE-CB 4.1Å; M397-P416 HydrophobicContact SD-CB 4.05Å; M397-P416 HydrophobicContact SD-CG 4.31Å
398	L	42.8	Very low	42.2	Very low	143 Å²	143	107.3 Å²	107.3	75%	0.749	58%	0.582	S	S	*	*	S	Bend	trans	-127.8	-1.6	-175.5	-65.2	174.6	0	0	0	114.5	S395 N396	S395-L398 PolarHBondContact O-N 3.11Å; S395-L398 VanDerWaalsContact O-N 3.08Å; N396-L398 PolarHBondContact O-N 3.44Å
399	S	35.4	Very low	43.7	Very low	65 Å²	65	105.8 Å²	105.8	46%	0.455	58%	0.579	S	S	.	*			trans	-86.4	123.3	170.2	-168.1	0	0	0	0	109.9	Q401	S399-Q401 PolarHBondContact O-N 3.07Å
400	A	44.8	Very low	45.2	Very low	100 Å²	100	105.4 Å²	105.4	83%	0.826	57%	0.57	S	S	*	*	S	Bend	trans	-80.8	31.2	-167.9	0	0	0	0	0	114.6
401	Q	42.8	Very low	46.9	Very low	168 Å²	168	100.6 Å²	100.6	79%	0.785	55%	0.547	S	S	*	.	S	Bend	trans	-135.4	124	-175.7	-65.9	-179.5	-11.7	0	0	109.9	S399	S399-Q401 PolarHBondContact O-N 3.07Å
402	H	42.1	Very low	48	Very low	169 Å²	169	99.6 Å²	99.6	78%	0.782	54%	0.543	S	S	*	.			trans	64	39.9	-178.8	-91.9	-110.3	0	0	0	117.7	Q404	H402-Q404 PolarHBondContact O-N 3.37Å
403	T	45.9	Very low	49.4	Very low	95 Å²	95	101.2 Å²	101.2	58%	0.583	54%	0.542	S	S	*	.			trans	-72.5	76.2	157.2	56.2	0	0	0	0	110.7	I405	T403-I405 WeakPolarHBondContact O-CG1 3.44Å; T403-I405 PolarHBondContact O-N 3.04Å
404	Q	51.2	Low	51.1	Low	115 Å²	115	98.2 Å²	98.2	54%	0.537	54%	0.539	S	S	.	.			trans	-67.4	126.9	166.7	-73.8	-176.8	-7	0	0	109.2	H402 F406	H402-Q404 PolarHBondContact O-N 3.37Å; Q404-F406 HydrophobicContact CB-CD2 4.48Å; Q404-F406 HydrophobicContact CB-CE2 3.55Å; Q404-F406 HydrophobicContact CB-CZ 3.73Å; Q404-F406 VanDerWaalsContact O-CD2 3.23Å; Q404-F406 WeakPolarHBondContact O-CD2 3.28Å; Q404-F406 VanDerWaalsContact O-CE2 3.23Å; Q404-F406 WeakPolarHBondContact O-CE2 3.39Å
405	I	56.6	Low	52.6	Low	123 Å²	123	95.1 Å²	95.1	63%	0.631	52%	0.518	S	S	*	.			trans	-102.4	112.1	-171.4	-59.5	-173.5	0	0	0	108.7	T403 V414	T403-I405 WeakPolarHBondContact O-CG1 3.44Å; T403-I405 PolarHBondContact O-N 3.04Å; I405-V414 HydrophobicContact CG2-CG1 3.28Å
406	F	63	Low	53.7	Low	55 Å²	55	94.7 Å²	94.7	24%	0.241	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.4	-172.9	-65.1	-87.6	0	0	0	110.5	Q404 F415 P418 L421	Q404-F406 HydrophobicContact CB-CD2 4.48Å; Q404-F406 HydrophobicContact CB-CE2 3.55Å; Q404-F406 HydrophobicContact CB-CZ 3.73Å; Q404-F406 VanDerWaalsContact O-CD2 3.23Å; Q404-F406 WeakPolarHBondContact O-CD2 3.28Å; Q404-F406 VanDerWaalsContact O-CE2 3.23Å; Q404-F406 WeakPolarHBondContact O-CE2 3.39Å; F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.28Å; F406-P418 HydrophobicContact CD1-CB 3.91Å; F406-P418 HydrophobicContact CE1-CB 3.85Å; F406-P418 HydrophobicContact CE1-CG 4.22Å; F406-P418 HydrophobicContact CE2-CG 4.32Å; F406-P418 HydrophobicContact CG-CB 4.28Å; F406-P418 HydrophobicContact CZ-CB 4.17Å; F406-P418 HydrophobicContact CZ-CG 4.05Å; F406-L421 HydrophobicContact CB-CB 4.19Å; F406-L421 HydrophobicContact CB-CD2 3.85Å
407	M	59.5	Low	55	Low	104 Å²	104	91 Å²	91	51%	0.512	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.1	179.8	-169.3	174.6	73	0	0	111.8	P409 N412 K413 V414 L421	M407-P409 WeakPolarHBondContact O-CD 3.39Å; M407-N412 HydrophobicContact SD-CB 4.15Å; M407-K413 CarbonylContact C-O 3.51Å; M407-K413 WeakPolarHBondContact CA-O 3.23Å; M407-V414 HydrophobicContact CG-CG2 4.39Å; M407-L421 WeakPolarHBondContact O-CD2 3.44Å
408	C	72.1	Confident	56.1	Low	0 Å²	0	89.6 Å²	89.6	0%	0	50%	0.495	C	S	.	.			trans	-82.3	117.1	172.4	-178.4	0	0	0	0	111.2	L410 C411 N412 K413 F415 L421 H424 H428	C408-L410 PolarHBondContact O-N 3.12Å; C408-L410 VanDerWaalsContact O-N 3.15Å; C408-C411 PolarHBondContact O-N 3.08Å; C408-N412 VanDerWaalsContact O-CA 3.26Å; C408-N412 WeakPolarHBondContact O-CA 3.12Å; C408-N412 PolarHBondContact O-N 3.3Å; C408-K413 PolarHBondContact N-O 3.16Å; C408-F415 HydrophobicContact CB-CE2 4.07Å; C408-L421 HydrophobicContact CB-CD1 3.62Å; C408-H424 PolarHBondContact SG-NE2 3.01Å; C408-H424 VanDerWaalsContact SG-NE2 3.37Å; C408-H428 VanDerWaalsContact SG-CD2 3.57Å
409	P	62.9	Low	56.7	Low	100 Å²	100	88.2 Å²	88.2	65%	0.649	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.8	179.9	27.9	-36.2	0	0	0	114.2	M407	M407-P409 WeakPolarHBondContact O-CD 3.39Å
410	L	64.5	Low	58	Low	81 Å²	81	87.2 Å²	87.2	42%	0.424	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.6	-177.6	-58.1	178.7	0	0	0	113.9	C408 L425 H428	C408-L410 PolarHBondContact O-N 3.12Å; C408-L410 VanDerWaalsContact O-N 3.15Å; L410-L425 HydrophobicContact CD1-CD2 4.02Å; L410-L425 HydrophobicContact CG-CD2 4.36Å; L410-H428 HydrophobicContact CB-CB 4.46Å; L410-H428 HydrophobicContact CD1-CB 3.64Å
411	C	69.1	Low	59.1	Low	42 Å²	42	83.5 Å²	83.5	28%	0.284	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.5	6.8	179.3	76.3	0	0	0	0	115.5	C408 K413 H424 H428	C408-C411 PolarHBondContact O-N 3.08Å; C411-K413 PolarHBondContact O-N 3.4Å; C411-K413 VanDerWaalsContact O-N 3.08Å; C411-K413 VanDerWaalsContact SG-CD 3.59Å; C411-K413 VanDerWaalsContact SG-CE 3.54Å; C411-K413 WeakPolarHBondContact SG-CG 3.21Å; C411-H424 PolarHBondContact SG-NE2 3.27Å; C411-H428 WeakPolarHBondContact CB-NE2 3.09Å; C411-H428 PolarHBondContact SG-NE2 3.05Å
412	N	61.4	Low	60.1	Low	110 Å²	110	81.7 Å²	81.7	59%	0.588	43%	0.431	S	S	*	.			trans	55.5	22.4	-179.5	-57.3	-21.5	0	0	0	115.3	M407 C408	M407-N412 HydrophobicContact SD-CB 4.15Å; C408-N412 VanDerWaalsContact O-CA 3.26Å; C408-N412 WeakPolarHBondContact O-CA 3.12Å; C408-N412 PolarHBondContact O-N 3.3Å
413	K	62.1	Low	61.4	Low	114 Å²	114	78.4 Å²	78.4	50%	0.496	42%	0.419	S	S	.	.			trans	-71.2	147.5	167.3	-71.6	177.4	-148.3	-49.6	0	110.6	M407 C408 C411 F415	M407-K413 CarbonylContact C-O 3.51Å; M407-K413 WeakPolarHBondContact CA-O 3.23Å; C408-K413 PolarHBondContact N-O 3.16Å; C411-K413 PolarHBondContact O-N 3.4Å; C411-K413 VanDerWaalsContact O-N 3.08Å; C411-K413 VanDerWaalsContact SG-CD 3.59Å; C411-K413 VanDerWaalsContact SG-CE 3.54Å; C411-K413 WeakPolarHBondContact SG-CG 3.21Å; K413-F415 HydrophobicContact CB-CE2 3.48Å; K413-F415 VanDerWaalsContact CB-CE2 3.48Å; K413-F415 HydrophobicContact CB-CZ 3.63Å; K413-F415 HydrophobicContact CD-CZ 4.37Å; K413-F415 WeakPolarHBondContact O-CE2 3.23Å
414	V	63.3	Low	62.7	Low	90 Å²	90	75 Å²	75	55%	0.545	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.3	-173.2	169.3	0	0	0	0	110.9	I405 M407	I405-V414 HydrophobicContact CG2-CG1 3.28Å; M407-V414 HydrophobicContact CG-CG2 4.39Å
415	F	66.7	Low	63.5	Low	30 Å²	30	71.3 Å²	71.3	13%	0.132	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.9	-174	-60.1	-84	0	0	0	112	F406 C408 K413 S417 I420 L421 H424	F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.28Å; C408-F415 HydrophobicContact CB-CE2 4.07Å; K413-F415 HydrophobicContact CB-CE2 3.48Å; K413-F415 VanDerWaalsContact CB-CE2 3.48Å; K413-F415 HydrophobicContact CB-CZ 3.63Å; K413-F415 HydrophobicContact CD-CZ 4.37Å; K413-F415 WeakPolarHBondContact O-CE2 3.23Å; F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 2.85Å; F415-I420 HydrophobicContact CB-CB 4.49Å; F415-I420 HydrophobicContact CD1-CB 4.35Å; F415-I420 HydrophobicContact CD1-CG2 3.69Å; F415-I420 HydrophobicContact CE1-CG2 4.39Å; F415-L421 HydrophobicContact CB-CB 4.16Å; F415-L421 HydrophobicContact CD2-CB 4.2Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CE2-CD1 4.19Å; F415-L421 HydrophobicContact CG-CB 4.27Å; F415-H424 HydrophobicContact CE1-CB 3.91Å; F415-H424 HydrophobicContact CE2-CB 4.24Å; F415-H424 AromaticContact CE2-CD2 3.09Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.8Å; F415-H424 AromaticContact CE2-NE2 3.74Å; F415-H424 HydrophobicContact CZ-CB 3.71Å; F415-H424 AromaticContact CZ-CD2 3.07Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.28Å; F415-H424 AromaticContact CZ-CG 3.31Å; F415-H424 AromaticContact CZ-NE2 3.67Å
416	P	54.1	Low	64.1	Low	71 Å²	71	68.2 Å²	68.2	46%	0.461	37%	0.369	S	S	.	.	S	Bend	trans	-86	10.4	-177.6	35.8	-37.2	0	0	0	114.1	M397 I420	M397-P416 HydrophobicContact CE-CB 4.1Å; M397-P416 HydrophobicContact SD-CB 4.05Å; M397-P416 HydrophobicContact SD-CG 4.31Å; P416-I420 HydrophobicContact CG-CD1 3.91Å
417	S	60.8	Low	64.3	Low	36 Å²	36	67.5 Å²	67.5	25%	0.252	37%	0.371	S	S	.	.	S	Bend	trans	-163	142.5	178.9	166.5	0	0	0	0	110.5	F415 H419 I420 L421	F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 2.85Å; S417-H419 VanDerWaalsContact C-N 3.27Å; S417-H419 PolarHBondContact O-N 3.16Å; S417-H419 PolarHBondContact OG-N 3.08Å; S417-I420 PolarHBondContact O-N 3.37Å; S417-L421 PolarHBondContact O-N 3.14Å; S417-L421 VanDerWaalsContact O-N 3.14Å
418	P	56.2	Low	64.6	Low	71 Å²	71	63.7 Å²	63.7	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-66.8	-28.9	-177.7	26.9	-32.8	0	0	0	112.3	F406 I420 L421 Q422	F406-P418 HydrophobicContact CD1-CB 3.91Å; F406-P418 HydrophobicContact CE1-CB 3.85Å; F406-P418 HydrophobicContact CE1-CG 4.22Å; F406-P418 HydrophobicContact CE2-CG 4.32Å; F406-P418 HydrophobicContact CG-CB 4.28Å; F406-P418 HydrophobicContact CZ-CB 4.17Å; F406-P418 HydrophobicContact CZ-CG 4.05Å; P418-I420 VanDerWaalsContact C-N 3.34Å; P418-I420 PolarHBondContact O-N 3.42Å; P418-L421 PolarHBondContact O-N 3.14Å; P418-Q422 WeakPolarHBondContact O-CB 3.49Å; P418-Q422 PolarHBondContact O-N 3.35Å
419	H	55.3	Low	63.9	Low	114 Å²	114	69.4 Å²	69.4	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-35.9	175.5	-176.4	64.2	0	0	0	112.2	S417 Q422 L423	S417-H419 VanDerWaalsContact C-N 3.27Å; S417-H419 PolarHBondContact O-N 3.16Å; S417-H419 PolarHBondContact OG-N 3.08Å; H419-Q422 PolarHBondContact O-N 2.83Å; H419-L423 WeakPolarHBondContact O-CG 3.34Å; H419-L423 PolarHBondContact O-N 3.15Å
420	I	64.3	Low	63.4	Low	43 Å²	43	73.2 Å²	73.2	22%	0.221	38%	0.379	C	S	.	.	H	α-helix	trans	-71.9	-40.1	176.1	-48.3	169	0	0	0	110	Y393 F415 P416 S417 P418 Q422 L423 H424	Y393-I420 VanDerWaalsContact OH-CD1 3.25Å; Y393-I420 WeakPolarHBondContact OH-CD1 3.43Å; F415-I420 HydrophobicContact CB-CB 4.49Å; F415-I420 HydrophobicContact CD1-CB 4.35Å; F415-I420 HydrophobicContact CD1-CG2 3.69Å; F415-I420 HydrophobicContact CE1-CG2 4.39Å; P416-I420 HydrophobicContact CG-CD1 3.91Å; S417-I420 PolarHBondContact O-N 3.37Å; P418-I420 VanDerWaalsContact C-N 3.34Å; P418-I420 PolarHBondContact O-N 3.42Å; I420-Q422 VanDerWaalsContact C-N 3.32Å; I420-Q422 PolarHBondContact O-N 3.25Å; I420-L423 PolarHBondContact O-N 3.04Å; I420-H424 WeakPolarHBondContact O-CB 3.39Å; I420-H424 PolarHBondContact O-N 2.59Å
421	L	67.9	Low	62.6	Low	22 Å²	22	75.4 Å²	75.4	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-43.4	171	172.2	59.2	0	0	0	111	F406 M407 C408 F415 S417 P418 H424 L425	F406-L421 HydrophobicContact CB-CB 4.19Å; F406-L421 HydrophobicContact CB-CD2 3.85Å; M407-L421 WeakPolarHBondContact O-CD2 3.44Å; C408-L421 HydrophobicContact CB-CD1 3.62Å; F415-L421 HydrophobicContact CB-CB 4.16Å; F415-L421 HydrophobicContact CD2-CB 4.2Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CE2-CD1 4.19Å; F415-L421 HydrophobicContact CG-CB 4.27Å; S417-L421 PolarHBondContact O-N 3.14Å; S417-L421 VanDerWaalsContact O-N 3.14Å; P418-L421 PolarHBondContact O-N 3.14Å; L421-H424 CarbonylContact O-C 3.48Å; L421-H424 PolarHBondContact O-N 3.39Å; L421-H424 VanDerWaalsContact O-N 3.16Å; L421-L425 HydrophobicContact CD1-CD1 4.02Å; L421-L425 HydrophobicContact CD1-CG 3.92Å; L421-L425 HydrophobicContact CG-CD1 3.91Å; L421-L425 HydrophobicContact CG-CG 4.3Å; L421-L425 WeakPolarHBondContact O-CG 3.47Å; L421-L425 PolarHBondContact O-N 2.97Å
422	Q	63.7	Low	61.5	Low	130 Å²	130	79.9 Å²	79.9	61%	0.607	40%	0.403	S	S	*	.	H	α-helix	trans	-62.6	-43.4	178.1	-169.1	-178	16.7	0	0	112.3	P418 H419 I420 H424 L425 S426	P418-Q422 WeakPolarHBondContact O-CB 3.49Å; P418-Q422 PolarHBondContact O-N 3.35Å; H419-Q422 PolarHBondContact O-N 2.83Å; I420-Q422 VanDerWaalsContact C-N 3.32Å; I420-Q422 PolarHBondContact O-N 3.25Å; Q422-H424 VanDerWaalsContact C-N 3.29Å; Q422-H424 PolarHBondContact O-N 3.11Å; Q422-L425 PolarHBondContact O-N 3.38Å; Q422-S426 PolarHBondContact O-N 3.37Å; Q422-S426 VanDerWaalsContact O-N 3.08Å
423	L	69.3	Low	60.7	Low	101 Å²	101	80.3 Å²	80.3	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-37.9	172.8	-72.8	171.2	0	0	0	111.9	H419 I420 S426	H419-L423 WeakPolarHBondContact O-CG 3.34Å; H419-L423 PolarHBondContact O-N 3.15Å; I420-L423 PolarHBondContact O-N 3.04Å; L423-S426 WeakPolarHBondContact O-CB 3.27Å; L423-S426 PolarHBondContact O-N 3.34Å; L423-S426 PolarHBondContact O-OG 2.96Å
424	H	73.4	Confident	59.9	Low	22 Å²	22	78 Å²	78	10%	0.102	41%	0.411	C	S	.	.	H	α-helix	trans	-73.6	-38.5	175.9	168.7	50.1	0	0	0	113.6	C408 C411 F415 I420 L421 Q422 S426 S427 H428	C408-H424 PolarHBondContact SG-NE2 3.01Å; C408-H424 VanDerWaalsContact SG-NE2 3.37Å; C411-H424 PolarHBondContact SG-NE2 3.27Å; F415-H424 HydrophobicContact CE1-CB 3.91Å; F415-H424 HydrophobicContact CE2-CB 4.24Å; F415-H424 AromaticContact CE2-CD2 3.09Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.8Å; F415-H424 AromaticContact CE2-NE2 3.74Å; F415-H424 HydrophobicContact CZ-CB 3.71Å; F415-H424 AromaticContact CZ-CD2 3.07Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.28Å; F415-H424 AromaticContact CZ-CG 3.31Å; F415-H424 AromaticContact CZ-NE2 3.67Å; I420-H424 WeakPolarHBondContact O-CB 3.39Å; I420-H424 PolarHBondContact O-N 2.59Å; L421-H424 CarbonylContact O-C 3.48Å; L421-H424 PolarHBondContact O-N 3.39Å; L421-H424 VanDerWaalsContact O-N 3.16Å; Q422-H424 VanDerWaalsContact C-N 3.29Å; Q422-H424 PolarHBondContact O-N 3.11Å; H424-S426 PolarHBondContact O-N 3.17Å; H424-S427 PolarHBondContact ND1-OG 3.3Å; H424-S427 WeakPolarHBondContact O-CA 3.46Å; H424-S427 WeakPolarHBondContact O-CB 3.37Å; H424-S427 PolarHBondContact O-N 3.21Å; H424-S427 PolarHBondContact O-OG 2.91Å; H424-H428 AromaticContact CE1-CD2 3.54Å; H424-H428 AromaticContact CE1-CE1 3.82Å; H424-H428 AromaticContact CE1-NE2 3.08Å; H424-H428 PolarHBondContact CE1-NE2 3.45Å; H424-H428 AromaticContact NE2-CD2 3.65Å; H424-H428 AromaticContact NE2-NE2 3.29Å; H424-H428 PolarHBondContact NE2-NE2 2.93Å; H424-H428 PolarHBondContact O-N 3.46Å
425	L	67.1	Low	58.9	Low	39 Å²	39	79.3 Å²	79.3	20%	0.204	41%	0.413	C	S	.	.	H	α-helix	trans	-58.2	-35.7	171.6	-75.2	167.1	0	0	0	110.5	L410 L421 Q422 S427 H428 F429	L410-L425 HydrophobicContact CD1-CD2 4.02Å; L410-L425 HydrophobicContact CG-CD2 4.36Å; L421-L425 HydrophobicContact CD1-CD1 4.02Å; L421-L425 HydrophobicContact CD1-CG 3.92Å; L421-L425 HydrophobicContact CG-CD1 3.91Å; L421-L425 HydrophobicContact CG-CG 4.3Å; L421-L425 WeakPolarHBondContact O-CG 3.47Å; L421-L425 PolarHBondContact O-N 2.97Å; Q422-L425 PolarHBondContact O-N 3.38Å; L425-S427 PolarHBondContact O-N 3.37Å; L425-H428 PolarHBondContact O-N 3.04Å; L425-F429 HydrophobicContact CB-CE2 4.22Å; L425-F429 WeakPolarHBondContact O-CD2 3.49Å; L425-F429 PolarHBondContact O-N 3.44Å
426	S	70.1	Confident	57.8	Low	57 Å²	57	89.6 Å²	89.6	40%	0.399	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-21.7	171.9	89.7	0	0	0	0	114.2	Q422 L423 H424 R430	Q422-S426 PolarHBondContact O-N 3.37Å; Q422-S426 VanDerWaalsContact O-N 3.08Å; L423-S426 WeakPolarHBondContact O-CB 3.27Å; L423-S426 PolarHBondContact O-N 3.34Å; L423-S426 PolarHBondContact O-OG 2.96Å; H424-S426 PolarHBondContact O-N 3.17Å; S426-R430 WeakPolarHBondContact O-CB 3.41Å; S426-R430 VanDerWaalsContact O-CD 3.24Å; S426-R430 WeakPolarHBondContact O-CD 3.23Å; S426-R430 WeakPolarHBondContact O-CG 3.23Å; S426-R430 PolarHBondContact O-N 3.43Å
427	S	66	Low	57.2	Low	41 Å²	41	89.8 Å²	89.8	29%	0.287	45%	0.454	S	S	.	.	H	α-helix	trans	-75.4	-36.3	169.9	79.8	0	0	0	0	111.8	H424 L425 R430 E431	H424-S427 PolarHBondContact ND1-OG 3.3Å; H424-S427 WeakPolarHBondContact O-CA 3.46Å; H424-S427 WeakPolarHBondContact O-CB 3.37Å; H424-S427 PolarHBondContact O-N 3.21Å; H424-S427 PolarHBondContact O-OG 2.91Å; L425-S427 PolarHBondContact O-N 3.37Å; S427-R430 CarbonylContact O-C 3.36Å; S427-R430 WeakPolarHBondContact O-CB 3.45Å; S427-R430 PolarHBondContact O-N 3.13Å; S427-E431 VanDerWaalsContact O-CG 3.28Å; S427-E431 WeakPolarHBondContact O-CG 3.43Å; S427-E431 PolarHBondContact O-N 3.26Å; S427-E431 VanDerWaalsContact O-N 3.14Å
428	H	67.6	Low	56.1	Low	24 Å²	24	96.8 Å²	96.8	11%	0.111	48%	0.48	C	S	.	.	H	α-helix	trans	-72.6	-38.1	176.1	-74.2	-42	0	0	0	113.9	C408 L410 C411 H424 L425 R430 E431 Q432	C408-H428 VanDerWaalsContact SG-CD2 3.57Å; L410-H428 HydrophobicContact CB-CB 4.46Å; L410-H428 HydrophobicContact CD1-CB 3.64Å; C411-H428 WeakPolarHBondContact CB-NE2 3.09Å; C411-H428 PolarHBondContact SG-NE2 3.05Å; H424-H428 AromaticContact CE1-CD2 3.54Å; H424-H428 AromaticContact CE1-CE1 3.82Å; H424-H428 AromaticContact CE1-NE2 3.08Å; H424-H428 PolarHBondContact CE1-NE2 3.45Å; H424-H428 AromaticContact NE2-CD2 3.65Å; H424-H428 AromaticContact NE2-NE2 3.29Å; H424-H428 PolarHBondContact NE2-NE2 2.93Å; H424-H428 PolarHBondContact O-N 3.46Å; L425-H428 PolarHBondContact O-N 3.04Å; H428-R430 PolarHBondContact O-N 3.42Å; H428-E431 IonicContact CE1-OE2 2.72Å; H428-E431 PolarHBondContact CE1-OE2 3.35Å; H428-E431 IonicContact CG-OE2 3.57Å; H428-E431 IonicContact ND1-OE2 3.61Å; H428-E431 PolarHBondContact ND1-OE2 3.11Å; H428-E431 PolarHBondContact O-N 2.82Å; H428-Q432 PolarHBondContact O-N 3.28Å
429	F	56.8	Low	55.4	Low	120 Å²	120	97 Å²	97	53%	0.526	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-31	170.4	-68	-62.2	0	0	0	111.5	L425 E431 E433	L425-F429 HydrophobicContact CB-CE2 4.22Å; L425-F429 WeakPolarHBondContact O-CD2 3.49Å; L425-F429 PolarHBondContact O-N 3.44Å; F429-E431 VanDerWaalsContact C-N 3.3Å; F429-E431 PolarHBondContact O-N 2.88Å; F429-E433 WeakPolarHBondContact O-CB 3.07Å; F429-E433 VanDerWaalsContact O-CG 3.23Å; F429-E433 WeakPolarHBondContact O-CG 3.36Å; F429-E433 PolarHBondContact O-N 3.18Å; F429-E433 VanDerWaalsContact O-N 3.07Å
430	R	51.8	Low	54.8	Low	180 Å²	180	96.8 Å²	96.8	68%	0.679	50%	0.499	S	S	*	.	H	α-helix	trans	-76.6	-5.4	170.6	-75.7	170	139.2	-155.4	-6.7	115.5	S426 S427 H428	S426-R430 WeakPolarHBondContact O-CB 3.41Å; S426-R430 VanDerWaalsContact O-CD 3.24Å; S426-R430 WeakPolarHBondContact O-CD 3.23Å; S426-R430 WeakPolarHBondContact O-CG 3.23Å; S426-R430 PolarHBondContact O-N 3.43Å; S427-R430 CarbonylContact O-C 3.36Å; S427-R430 WeakPolarHBondContact O-CB 3.45Å; S427-R430 PolarHBondContact O-N 3.13Å; H428-R430 PolarHBondContact O-N 3.42Å
431	E	47.9	Very low	54.2	Low	126 Å²	126	97.2 Å²	97.2	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-108.2	-37.1	177.7	-74.5	163.5	171.2	0	0	111.2	S427 H428 F429 E433	S427-E431 VanDerWaalsContact O-CG 3.28Å; S427-E431 WeakPolarHBondContact O-CG 3.43Å; S427-E431 PolarHBondContact O-N 3.26Å; S427-E431 VanDerWaalsContact O-N 3.14Å; H428-E431 IonicContact CE1-OE2 2.72Å; H428-E431 PolarHBondContact CE1-OE2 3.35Å; H428-E431 IonicContact CG-OE2 3.57Å; H428-E431 IonicContact ND1-OE2 3.61Å; H428-E431 PolarHBondContact ND1-OE2 3.11Å; H428-E431 PolarHBondContact O-N 2.82Å; F429-E431 VanDerWaalsContact C-N 3.3Å; F429-E431 PolarHBondContact O-N 2.88Å; E431-E433 VanDerWaalsContact C-N 3.35Å
432	Q	46.3	Very low	53.2	Low	136 Å²	136	104.5 Å²	104.5	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-40.2	167.4	-72.4	-174.5	-26.4	0	0	110.9	H428 G434	H428-Q432 PolarHBondContact O-N 3.28Å; Q432-G434 PolarHBondContact O-N 3.48Å
433	E	43.2	Very low	52.9	Low	120 Å²	120	103.2 Å²	103.2	56%	0.561	55%	0.554	S	S	*	*			trans	-69.7	78.6	159.5	-66	-70.2	127.8	0	0	109.8	F429 E431 I435	F429-E433 WeakPolarHBondContact O-CB 3.07Å; F429-E433 VanDerWaalsContact O-CG 3.23Å; F429-E433 WeakPolarHBondContact O-CG 3.36Å; F429-E433 PolarHBondContact O-N 3.18Å; F429-E433 VanDerWaalsContact O-N 3.07Å; E431-E433 VanDerWaalsContact C-N 3.35Å; E433-I435 PolarHBondContact O-N 3.1Å; E433-I435 WeakPolarHBondContact OE2-CG1 3.39Å
434	G	46	Very low	52.7	Low	66 Å²	66	104.8 Å²	104.8	68%	0.68	56%	0.563	S	S	*	*			trans	-57.2	-1	152.3	0	0	0	0	0	113	Q432 R436	Q432-G434 PolarHBondContact O-N 3.48Å; G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 3.13Å
435	I	43.2	Very low	52.7	Low	116 Å²	116	106.3 Å²	106.3	60%	0.595	57%	0.574	S	S	*	*			trans	-38.6	60.4	165.7	54.8	159.2	0	0	0	117.6	E433 S437	E433-I435 PolarHBondContact O-N 3.1Å; E433-I435 WeakPolarHBondContact OE2-CG1 3.39Å; I435-S437 PolarHBondContact O-N 3.34Å
436	R	43.5	Very low	53.4	Low	246 Å²	246	105 Å²	105	93%	0.928	57%	0.568	S	S	*	*			trans	-70.3	34.8	148.4	-151.7	-172.3	-176.9	-160.5	-0.5	111.8	G434 K438	G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 3.13Å; R436-K438 PolarHBondContact O-N 2.9Å; R436-K438 VanDerWaalsContact O-N 3.08Å
437	S	40.3	Very low	54	Low	75 Å²	75	105.8 Å²	105.8	52%	0.524	57%	0.57	S	S	.	*			trans	-71	103.2	168.6	-174.2	0	0	0	0	106.7	I435 P439	I435-S437 PolarHBondContact O-N 3.34Å; S437-P439 WeakPolarHBondContact O-CD 3.34Å; S437-P439 VanDerWaalsContact O-N 3.09Å
438	K	39.3	Very low	55	Low	184 Å²	184	104 Å²	104	80%	0.8	56%	0.557	S	S	*	*			trans	-43.5	111.7	161.3	177	-170.9	-177.7	-170.9	0	107.6	R436 A440	R436-K438 PolarHBondContact O-N 2.9Å; R436-K438 VanDerWaalsContact O-N 3.08Å; K438-A440 PolarHBondContact O-N 3.37Å; K438-A440 VanDerWaalsContact O-N 3.09Å
439	P	40.8	Very low	55.8	Low	75 Å²	75	108.8 Å²	108.8	49%	0.487	59%	0.589	S	S	.	*			trans	-58.3	121.2	-175	21.9	-32.4	0	0	0	109.3	S437 G441 V445	S437-P439 WeakPolarHBondContact O-CD 3.34Å; S437-P439 VanDerWaalsContact O-N 3.09Å; P439-G441 PolarHBondContact O-N 2.88Å; P439-V445 HydrophobicContact CG-CG2 4.37Å
440	A	42.5	Very low	57.2	Low	110 Å²	110	108.4 Å²	108.4	91%	0.909	59%	0.591	S	S	*	*	S	Bend	trans	-80.6	104.6	179.3	0	0	0	0	0	108.6	K438	K438-A440 PolarHBondContact O-N 3.37Å; K438-A440 VanDerWaalsContact O-N 3.09Å
441	G	51.8	Low	58.8	Low	52 Å²	52	102 Å²	102	54%	0.536	57%	0.574	S	S	.	*	S	Bend	trans	105.1	100.1	-177.3	0	0	0	0	0	113.2	P439 V443	P439-G441 PolarHBondContact O-N 2.88Å; G441-V443 VanDerWaalsContact C-N 3.34Å; G441-V443 PolarHBondContact O-N 3.5Å
442	D	46.7	Very low	60.5	Low	175 Å²	175	101 Å²	101	94%	0.936	58%	0.58	S	S	*	*			trans	44.1	35.2	142.3	-55.1	-34.4	0	0	0	120.7
443	V	58.5	Low	62	Low	102 Å²	102	100.3 Å²	100.3	62%	0.618	58%	0.575	S	S	*	*			trans	-92.9	111.7	155.7	-177.1	0	0	0	0	109.2	G441 V445	G441-V443 VanDerWaalsContact C-N 3.34Å; G441-V443 PolarHBondContact O-N 3.5Å; V443-V445 VanDerWaalsContact C-N 3.27Å; V443-V445 HydrophobicContact CG1-CG2 4.28Å; V443-V445 PolarHBondContact O-N 2.97Å
444	N	64.6	Low	63.8	Low	134 Å²	134	99.4 Å²	99.4	72%	0.717	58%	0.578	S	S	*	*			trans	-69.9	79.8	175.9	-175.5	-6.9	0	0	0	110.9	P446	N444-P446 VanDerWaalsContact O-CD 3.31Å; N444-P446 WeakPolarHBondContact O-CD 3.49Å
445	V	73.2	Confident	65.5	Low	54 Å²	54	98.3 Å²	98.3	33%	0.327	55%	0.554	S	S	.	*			trans	-66.9	119.3	178	178	0	0	0	0	109.5	P439 V443 T447 T454	P439-V445 HydrophobicContact CG-CG2 4.37Å; V443-V445 VanDerWaalsContact C-N 3.27Å; V443-V445 HydrophobicContact CG1-CG2 4.28Å; V443-V445 PolarHBondContact O-N 2.97Å; V445-T447 PolarHBondContact O-N 3.34Å; V445-T447 VanDerWaalsContact O-N 3.14Å; V445-T454 HydrophobicContact CG1-CG2 3.93Å
446	P	80.9	Confident	67.3	Low	12 Å²	12	97.3 Å²	97.3	8%	0.078	56%	0.558	C	S	.	*			trans	-53.5	119.8	176.8	-23.8	30.6	0	0	0	111.7	N444 T454 F455 C457 M458 L461	N444-P446 VanDerWaalsContact O-CD 3.31Å; N444-P446 WeakPolarHBondContact O-CD 3.49Å; P446-T454 CarbonylContact O-C 3.56Å; P446-T454 WeakPolarHBondContact O-CA 3.48Å; P446-F455 HydrophobicContact CB-CB 4.24Å; P446-F455 WeakPolarHBondContact CD-O 3.33Å; P446-F455 PolarHBondContact O-N 2.99Å; P446-C457 VanDerWaalsContact CG-C 3.49Å; P446-M458 HydrophobicContact CB-CE 4.03Å; P446-M458 HydrophobicContact CB-CG 4.47Å; P446-M458 HydrophobicContact CB-SD 3.71Å; P446-M458 HydrophobicContact CG-CE 3.9Å; P446-M458 HydrophobicContact CG-CG 4.03Å; P446-M458 HydrophobicContact CG-SD 3.84Å; P446-L461 HydrophobicContact CB-CB 3.93Å; P446-L461 HydrophobicContact CB-CD2 3.84Å
447	T	83.8	Confident	69.1	Low	74 Å²	74	88.1 Å²	88.1	45%	0.454	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-125.7	138	179.5	41	0	0	0	0	111.2	V445 T449 K453 T454	V445-T447 PolarHBondContact O-N 3.34Å; V445-T447 VanDerWaalsContact O-N 3.14Å; T447-T449 PolarHBondContact O-N 3.48Å; T447-K453 WeakPolarHBondContact CA-O 3.43Å; T447-T454 HydrophobicContact CG2-CG2 3.57Å
448	C	87.1	Confident	71	Confident	2 Å²	2	88.8 Å²	88.8	1%	0.014	53%	0.526	C	S	.	.			trans	-78.6	119.8	175.9	-178.4	0	0	0	0	110.6	I450 S452 K453 F455 L461 H468	C448-I450 PolarHBondContact O-N 2.95Å; C448-S452 WeakPolarHBondContact O-CA 3.39Å; C448-S452 PolarHBondContact O-N 3.46Å; C448-K453 PolarHBondContact N-O 3.3Å; C448-F455 HydrophobicContact CB-CE2 4Å; C448-L461 HydrophobicContact CB-CD1 3.7Å; C448-H468 PolarHBondContact SG-NE2 3.35Å; C448-H468 VanDerWaalsContact SG-NE2 3.39Å
449	T	84.7	Confident	73	Confident	125 Å²	125	87.6 Å²	87.6	77%	0.767	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.5	178.1	52.8	0	0	0	0	113.2	T447	T447-T449 PolarHBondContact O-N 3.48Å
450	I	85.6	Confident	75	Confident	112 Å²	112	85.1 Å²	85.1	57%	0.574	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-34.2	-172.9	-57.7	174.8	0	0	0	112.6	C448 H468	C448-I450 PolarHBondContact O-N 2.95Å; I450-H468 HydrophobicContact CD1-CB 3.5Å; I450-H468 VanDerWaalsContact CD1-CB 3.5Å; I450-H468 HydrophobicContact CG2-CB 4.21Å
451	C	85.4	Confident	77	Confident	47 Å²	47	80.4 Å²	80.4	32%	0.318	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	6.8	-174.5	79.8	0	0	0	0	115.3	K453 H464	C451-K453 PolarHBondContact O-N 3.5Å; C451-K453 VanDerWaalsContact SG-CG 3.59Å; C451-H464 PolarHBondContact SG-NE2 2.9Å
452	S	83.2	Confident	78.4	Confident	103 Å²	103	84.4 Å²	84.4	72%	0.72	46%	0.464	S	S	*	.			trans	56.4	20.9	175.6	-45.4	0	0	0	0	115.8	C448	C448-S452 WeakPolarHBondContact O-CA 3.39Å; C448-S452 PolarHBondContact O-N 3.46Å
453	K	77.4	Confident	80.2	Confident	123 Å²	123	80.7 Å²	80.7	54%	0.535	44%	0.437	S	S	.	.			trans	-75.2	135.5	171.9	-71.3	178.3	-176.4	179.7	0	110.5	T447 C448 C451 F455	T447-K453 WeakPolarHBondContact CA-O 3.43Å; C448-K453 PolarHBondContact N-O 3.3Å; C451-K453 PolarHBondContact O-N 3.5Å; C451-K453 VanDerWaalsContact SG-CG 3.59Å; K453-F455 HydrophobicContact CB-CE2 3.54Å; K453-F455 HydrophobicContact CB-CZ 3.75Å; K453-F455 HydrophobicContact CD-CZ 4.4Å; K453-F455 WeakPolarHBondContact O-CD2 3.47Å; K453-F455 VanDerWaalsContact O-CE2 3.27Å; K453-F455 WeakPolarHBondContact O-CE2 3.44Å
454	T	82.3	Confident	81.5	Confident	100 Å²	100	76.9 Å²	76.9	61%	0.613	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-83.4	146.9	170.1	42.9	0	0	0	0	111.1	V445 P446 T447	V445-T454 HydrophobicContact CG1-CG2 3.93Å; P446-T454 CarbonylContact O-C 3.56Å; P446-T454 WeakPolarHBondContact O-CA 3.48Å; T447-T454 HydrophobicContact CG2-CG2 3.57Å
455	F	81.9	Confident	82.4	Confident	44 Å²	44	73.3 Å²	73.3	19%	0.193	39%	0.391	C	S	.	.			trans	-133.9	153.1	180	-67.2	-85	0	0	0	110.6	P446 C448 K453 L461 H464	P446-F455 HydrophobicContact CB-CB 4.24Å; P446-F455 WeakPolarHBondContact CD-O 3.33Å; P446-F455 PolarHBondContact O-N 2.99Å; C448-F455 HydrophobicContact CB-CE2 4Å; K453-F455 HydrophobicContact CB-CE2 3.54Å; K453-F455 HydrophobicContact CB-CZ 3.75Å; K453-F455 HydrophobicContact CD-CZ 4.4Å; K453-F455 WeakPolarHBondContact O-CD2 3.47Å; K453-F455 VanDerWaalsContact O-CE2 3.27Å; K453-F455 WeakPolarHBondContact O-CE2 3.44Å; F455-L461 HydrophobicContact CB-CB 4.22Å; F455-L461 HydrophobicContact CD2-CB 4.23Å; F455-L461 HydrophobicContact CD2-CD1 3.85Å; F455-L461 HydrophobicContact CE2-CD1 4.16Å; F455-L461 HydrophobicContact CG-CB 4.31Å; F455-H464 HydrophobicContact CE1-CB 3.78Å; F455-H464 AromaticContact CE1-CG 3.94Å; F455-H464 HydrophobicContact CE2-CB 4.26Å; F455-H464 AromaticContact CE2-CD2 3.33Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.44Å; F455-H464 AromaticContact CE2-CG 3.97Å; F455-H464 HydrophobicContact CZ-CB 3.64Å; F455-H464 AromaticContact CZ-CD2 3.1Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.31Å; F455-H464 AromaticContact CZ-CG 3.34Å; F455-H464 AromaticContact CZ-NE2 3.86Å
456	S	79.8	Confident	83	Confident	95 Å²	95	74.1 Å²	74.1	66%	0.664	39%	0.388	S	S	*	.	S	Bend	trans	-77.5	-18.3	-176.3	50	0	0	0	0	114.3
457	C	81.3	Confident	83.1	Confident	52 Å²	52	76.4 Å²	76.4	35%	0.351	40%	0.402	S	S	.	.	S	Bend	trans	-157.4	157.4	174.3	68.5	0	0	0	0	112.2	P446 Y459 T460 L461	P446-C457 VanDerWaalsContact CG-C 3.49Å; C457-Y459 PolarHBondContact O-N 3.38Å; C457-Y459 VanDerWaalsContact O-N 3.14Å; C457-T460 PolarHBondContact N-OG1 3.05Å; C457-T460 PolarHBondContact O-N 3.36Å; C457-T460 PolarHBondContact O-OG1 3.43Å; C457-T460 PolarHBondContact SG-OG1 3.5Å; C457-L461 PolarHBondContact O-N 2.96Å; C457-L461 VanDerWaalsContact O-N 3.11Å
458	M	80.6	Confident	83.1	Confident	89 Å²	89	76.2 Å²	76.2	44%	0.438	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-28.2	-178.9	-70.6	-64.4	175.8	0	0	113.4	P446 L461 K462	P446-M458 HydrophobicContact CB-CE 4.03Å; P446-M458 HydrophobicContact CB-CG 4.47Å; P446-M458 HydrophobicContact CB-SD 3.71Å; P446-M458 HydrophobicContact CG-CE 3.9Å; P446-M458 HydrophobicContact CG-CG 4.03Å; P446-M458 HydrophobicContact CG-SD 3.84Å; M458-L461 PolarHBondContact O-N 2.98Å; M458-L461 HydrophobicContact SD-CD2 3.95Å; M458-K462 WeakPolarHBondContact O-CB 3.44Å; M458-K462 WeakPolarHBondContact O-CG 3.26Å; M458-K462 PolarHBondContact O-N 2.95Å
459	Y	81.9	Confident	82.8	Confident	159 Å²	159	79.3 Å²	79.3	62%	0.624	42%	0.418	S	S	*	.	H	α-helix	trans	-65.2	-42.4	172.7	171.1	-111.5	0	0	0	112.6	C457 R463	C457-Y459 PolarHBondContact O-N 3.38Å; C457-Y459 VanDerWaalsContact O-N 3.14Å; Y459-R463 VanDerWaalsContact O-CB 3.28Å; Y459-R463 WeakPolarHBondContact O-CB 3.05Å; Y459-R463 PolarHBondContact O-N 3.21Å
460	T	81.9	Confident	82.6	Confident	23 Å²	23	75.5 Å²	75.5	14%	0.141	40%	0.403	C	S	.	.	H	α-helix	trans	-72.1	-30.8	177.5	52	0	0	0	0	112.4	C457 H464	C457-T460 PolarHBondContact N-OG1 3.05Å; C457-T460 PolarHBondContact O-N 3.36Å; C457-T460 PolarHBondContact O-OG1 3.43Å; C457-T460 PolarHBondContact SG-OG1 3.5Å; T460-H464 WeakPolarHBondContact O-CB 3.49Å; T460-H464 PolarHBondContact O-N 2.8Å
461	L	83.7	Confident	82.5	Confident	12 Å²	12	75 Å²	75	6%	0.063	40%	0.398	C	S	.	.	H	α-helix	trans	-62.5	-58	168	173	58.1	0	0	0	111.7	P446 C448 F455 C457 M458 R463 H464 E465	P446-L461 HydrophobicContact CB-CB 3.93Å; P446-L461 HydrophobicContact CB-CD2 3.84Å; C448-L461 HydrophobicContact CB-CD1 3.7Å; F455-L461 HydrophobicContact CB-CB 4.22Å; F455-L461 HydrophobicContact CD2-CB 4.23Å; F455-L461 HydrophobicContact CD2-CD1 3.85Å; F455-L461 HydrophobicContact CE2-CD1 4.16Å; F455-L461 HydrophobicContact CG-CB 4.31Å; C457-L461 PolarHBondContact O-N 2.96Å; C457-L461 VanDerWaalsContact O-N 3.11Å; M458-L461 PolarHBondContact O-N 2.98Å; M458-L461 HydrophobicContact SD-CD2 3.95Å; L461-R463 PolarHBondContact O-N 3.49Å; L461-H464 CarbonylContact O-C 3.57Å; L461-H464 WeakPolarHBondContact O-CA 3.23Å; L461-H464 WeakPolarHBondContact O-CB 3.43Å; L461-H464 PolarHBondContact O-N 3.45Å; L461-E465 HydrophobicContact CD1-CG 3.9Å; L461-E465 HydrophobicContact CG-CG 4.34Å; L461-E465 WeakPolarHBondContact O-CG 3.47Å; L461-E465 PolarHBondContact O-N 3.35Å
462	K	82.6	Confident	82.5	Confident	136 Å²	136	78.7 Å²	78.7	59%	0.591	41%	0.409	S	S	*	.	H	α-helix	trans	-56.9	-34.9	179	-74.4	-176.7	175.4	-174.3	0	113	M458 E465	M458-K462 WeakPolarHBondContact O-CB 3.44Å; M458-K462 WeakPolarHBondContact O-CG 3.26Å; M458-K462 PolarHBondContact O-N 2.95Å; K462-E465 WeakPolarHBondContact CA-OE2 3.3Å
463	R	84	Confident	82.5	Confident	97 Å²	97	77.2 Å²	77.2	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-38.4	173.1	-173.1	179.6	69.6	-175.3	1.3	112.2	Y459 L461 Y485	Y459-R463 VanDerWaalsContact O-CB 3.28Å; Y459-R463 WeakPolarHBondContact O-CB 3.05Å; Y459-R463 PolarHBondContact O-N 3.21Å; L461-R463 PolarHBondContact O-N 3.49Å; R463-Y485 HydrophobicContact CG-CD1 3.95Å; R463-Y485 HydrophobicContact CG-CE1 3.36Å
464	H	85.1	Confident	83	Confident	22 Å²	22	75.4 Å²	75.4	10%	0.102	39%	0.387	C	S	.	.	H	α-helix	trans	-71.9	-37.5	175	169.7	49.3	0	0	0	112.8	C451 F455 T460 L461 R466 T467 H468	C451-H464 PolarHBondContact SG-NE2 2.9Å; F455-H464 HydrophobicContact CE1-CB 3.78Å; F455-H464 AromaticContact CE1-CG 3.94Å; F455-H464 HydrophobicContact CE2-CB 4.26Å; F455-H464 AromaticContact CE2-CD2 3.33Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.44Å; F455-H464 AromaticContact CE2-CG 3.97Å; F455-H464 HydrophobicContact CZ-CB 3.64Å; F455-H464 AromaticContact CZ-CD2 3.1Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.31Å; F455-H464 AromaticContact CZ-CG 3.34Å; F455-H464 AromaticContact CZ-NE2 3.86Å; T460-H464 WeakPolarHBondContact O-CB 3.49Å; T460-H464 PolarHBondContact O-N 2.8Å; L461-H464 CarbonylContact O-C 3.57Å; L461-H464 WeakPolarHBondContact O-CA 3.23Å; L461-H464 WeakPolarHBondContact O-CB 3.43Å; L461-H464 PolarHBondContact O-N 3.45Å; H464-R466 PolarHBondContact O-N 3.46Å; H464-R466 VanDerWaalsContact O-N 3.08Å; H464-T467 PolarHBondContact CE1-OG1 3.37Å; H464-T467 PolarHBondContact ND1-OG1 2.87Å; H464-T467 WeakPolarHBondContact O-CB 3.37Å; H464-T467 PolarHBondContact O-N 2.84Å; H464-T467 PolarHBondContact O-OG1 3.26Å; H464-H468 AromaticContact CD2-NE2 3.91Å; H464-H468 AromaticContact CE1-CE1 3.74Å; H464-H468 AromaticContact CE1-NE2 3.21Å; H464-H468 PolarHBondContact CE1-NE2 3.48Å; H464-H468 AromaticContact NE2-CD2 3.94Å; H464-H468 AromaticContact NE2-CE1 3.81Å; H464-H468 AromaticContact NE2-NE2 2.99Å; H464-H468 PolarHBondContact NE2-NE2 3.14Å
465	E	83.9	Confident	83.3	Confident	59 Å²	59	74.6 Å²	74.6	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-57.1	-30.4	-178	-72.9	169.1	148.9	0	0	112.6	L461 K462 T467 H468 S469	L461-E465 HydrophobicContact CD1-CG 3.9Å; L461-E465 HydrophobicContact CG-CG 4.34Å; L461-E465 WeakPolarHBondContact O-CG 3.47Å; L461-E465 PolarHBondContact O-N 3.35Å; K462-E465 WeakPolarHBondContact CA-OE2 3.3Å; E465-T467 PolarHBondContact O-N 2.88Å; E465-T467 VanDerWaalsContact O-N 3.14Å; E465-H468 PolarHBondContact O-N 2.88Å; E465-S469 PolarHBondContact O-N 2.93Å
466	R	85.2	Confident	83.8	Confident	70 Å²	70	72.7 Å²	72.7	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-18.4	170.6	-63.2	-177	-174.3	130.8	4.9	115.1	H464 G470 E471 Q484	H464-R466 PolarHBondContact O-N 3.46Å; H464-R466 VanDerWaalsContact O-N 3.08Å; R466-G470 WeakPolarHBondContact O-CA 3.42Å; R466-G470 PolarHBondContact O-N 3.45Å; R466-E471 HydrophobicContact CB-CB 4.26Å; R466-E471 HydrophobicContact CG-CB 4.06Å; R466-E471 IonicContact NE-OE2 2.65Å; R466-Q484 HydrophobicContact CB-CG 3.96Å
467	T	83.7	Confident	84.1	Confident	60 Å²	60	74.9 Å²	74.9	37%	0.368	38%	0.384	S	S	.	.	H	α-helix	trans	-72.9	-21	172	67.1	0	0	0	0	111.8	H464 E465 Q484	H464-T467 PolarHBondContact CE1-OG1 3.37Å; H464-T467 PolarHBondContact ND1-OG1 2.87Å; H464-T467 WeakPolarHBondContact O-CB 3.37Å; H464-T467 PolarHBondContact O-N 2.84Å; H464-T467 PolarHBondContact O-OG1 3.26Å; E465-T467 PolarHBondContact O-N 2.88Å; E465-T467 VanDerWaalsContact O-N 3.14Å; T467-Q484 VanDerWaalsContact N-NE2 3.11Å
468	H	83.1	Confident	84.4	Confident	70 Å²	70	77 Å²	77	32%	0.324	40%	0.396	S	S	.	.	H	α-helix	trans	-97.2	-37.6	179	-53.3	-62	0	0	0	112.2	C448 I450 H464 E465 G470	C448-H468 PolarHBondContact SG-NE2 3.35Å; C448-H468 VanDerWaalsContact SG-NE2 3.39Å; I450-H468 HydrophobicContact CD1-CB 3.5Å; I450-H468 VanDerWaalsContact CD1-CB 3.5Å; I450-H468 HydrophobicContact CG2-CB 4.21Å; H464-H468 AromaticContact CD2-NE2 3.91Å; H464-H468 AromaticContact CE1-CE1 3.74Å; H464-H468 AromaticContact CE1-NE2 3.21Å; H464-H468 PolarHBondContact CE1-NE2 3.48Å; H464-H468 AromaticContact NE2-CD2 3.94Å; H464-H468 AromaticContact NE2-CE1 3.81Å; H464-H468 AromaticContact NE2-NE2 2.99Å; H464-H468 PolarHBondContact NE2-NE2 3.14Å; E465-H468 PolarHBondContact O-N 2.88Å; H468-G470 VanDerWaalsContact C-N 3.31Å
469	S	80.8	Confident	84.7	Confident	68 Å²	68	75 Å²	75	48%	0.476	39%	0.389	S	S	.	.	H	α-helix	trans	-76.8	-17.2	173.3	64.4	0	0	0	0	113.4	E465 E471	E465-S469 PolarHBondContact O-N 2.93Å; S469-E471 VanDerWaalsContact CB-OE1 3.29Å; S469-E471 WeakPolarHBondContact CB-OE1 3.39Å; S469-E471 PolarHBondContact O-N 3.38Å; S469-E471 WeakPolarHBondContact OG-CG 3.47Å; S469-E471 PolarHBondContact OG-OE1 3.25Å
470	G	81.5	Confident	85	Confident	44 Å²	44	70 Å²	70	45%	0.454	39%	0.386	S	S	.	.			trans	73	7.8	-177.9	0	0	0	0	0	114.2	R466 H468 K472	R466-G470 WeakPolarHBondContact O-CA 3.42Å; R466-G470 PolarHBondContact O-N 3.45Å; H468-G470 VanDerWaalsContact C-N 3.31Å; G470-K472 WeakPolarHBondContact O-CG 3.37Å; G470-K472 PolarHBondContact O-N 3.04Å
471	E	82.7	Confident	85.3	Confident	102 Å²	102	74.7 Å²	74.7	48%	0.477	40%	0.404	S	S	.	.			trans	-54.5	122.2	179.6	-82.7	163.6	-119.5	0	0	112.4	R466 S469 P473	R466-E471 HydrophobicContact CB-CB 4.26Å; R466-E471 HydrophobicContact CG-CB 4.06Å; R466-E471 IonicContact NE-OE2 2.65Å; S469-E471 VanDerWaalsContact CB-OE1 3.29Å; S469-E471 WeakPolarHBondContact CB-OE1 3.39Å; S469-E471 PolarHBondContact O-N 3.38Å; S469-E471 WeakPolarHBondContact OG-CG 3.47Å; S469-E471 PolarHBondContact OG-OE1 3.25Å; E471-P473 VanDerWaalsContact C-CD 3.45Å; E471-P473 WeakPolarHBondContact O-CD 3.48Å
472	K	85.4	Confident	85.6	Confident	124 Å²	124	76.8 Å²	76.8	54%	0.539	42%	0.42	S	S	.	.			trans	-122.3	70.6	178.6	-72.1	162.1	-179.1	179.5	0	110.5	G470 Y474 S482 F483	G470-K472 WeakPolarHBondContact O-CG 3.37Å; G470-K472 PolarHBondContact O-N 3.04Å; K472-Y474 PolarHBondContact O-N 3.42Å; K472-S482 VanDerWaalsContact CB-CB 3.46Å; K472-S482 WeakPolarHBondContact O-CB 3.44Å; K472-F483 CarbonylContact C-O 3.59Å; K472-F483 VanDerWaalsContact CA-O 3.27Å; K472-F483 WeakPolarHBondContact CA-O 3.34Å
473	P	84.1	Confident	85.8	Confident	73 Å²	73	72.3 Å²	72.3	47%	0.474	40%	0.401	S	S	.	.			trans	-72.1	-6.2	-171	29.3	-35.6	0	0	0	114.6	E471	E471-P473 VanDerWaalsContact C-CD 3.45Å; E471-P473 WeakPolarHBondContact O-CD 3.48Å
474	Y	87.7	Confident	85.9	Confident	85 Å²	85	69.6 Å²	69.6	33%	0.333	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	90.3	-179.1	-57.6	-78.2	0	0	0	110.6	K472 F483 Y485 S486	K472-Y474 PolarHBondContact O-N 3.42Å; Y474-F483 PolarHBondContact N-O 2.98Å; Y474-F483 VanDerWaalsContact N-O 3.08Å; Y474-F483 PolarHBondContact O-N 2.96Å; Y474-Y485 VanDerWaalsContact CD2-CA 3.48Å; Y474-S486 VanDerWaalsContact CD2-N 3.29Å
475	T	89.1	Confident	86	Confident	83 Å²	83	70.8 Å²	70.8	51%	0.509	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.5	177.8	44	0	0	0	0	112.4	L489	T475-L489 WeakPolarHBondContact O-CD2 3.49Å
476	C	91.3	Very high	86	Confident	4 Å²	4	71.1 Å²	71.1	3%	0.027	41%	0.405	C	S	.	.			trans	-84.6	115.2	169.9	-174.7	0	0	0	0	110.2	T478 C479 G480 K481 F483 L489 H496	C476-T478 PolarHBondContact O-N 2.95Å; C476-C479 PolarHBondContact O-N 3.34Å; C476-G480 WeakPolarHBondContact O-CA 3.18Å; C476-G480 PolarHBondContact O-N 2.82Å; C476-K481 WeakPolarHBondContact CB-O 3.37Å; C476-K481 PolarHBondContact N-O 3.04Å; C476-F483 HydrophobicContact CB-CE2 4.29Å; C476-L489 HydrophobicContact CB-CD1 3.52Å; C476-H496 PolarHBondContact SG-NE2 3.26Å
477	T	86.9	Confident	85.9	Confident	141 Å²	141	72.9 Å²	72.9	87%	0.865	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.6	177.9	48.2	0	0	0	0	112.9	C479	T477-C479 PolarHBondContact O-N 3.41Å
478	T	86.2	Confident	86	Confident	97 Å²	97	71.7 Å²	71.7	60%	0.595	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.2	-177.3	-37	0	0	0	0	114.3	C476 H496	C476-T478 PolarHBondContact O-N 2.95Å; T478-H496 HydrophobicContact CG2-CB 4.14Å
479	C	88.3	Confident	86.3	Confident	45 Å²	45	70.1 Å²	70.1	30%	0.304	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	9.9	-172	71.5	0	0	0	0	115.8	C476 T477 K481 H492 H496	C476-C479 PolarHBondContact O-N 3.34Å; T477-C479 PolarHBondContact O-N 3.41Å; C479-K481 PolarHBondContact O-N 3.34Å; C479-H492 PolarHBondContact SG-NE2 3.25Å; C479-H496 WeakPolarHBondContact CB-CE1 3.34Å; C479-H496 PolarHBondContact SG-CE1 2.98Å; C479-H496 PolarHBondContact SG-NE2 3.43Å
480	G	86.8	Confident	86.5	Confident	54 Å²	54	70.9 Å²	70.9	56%	0.557	41%	0.407	S	S	*	.			trans	68.7	-6.4	-179.6	0	0	0	0	0	116.1	C476 S482	C476-G480 WeakPolarHBondContact O-CA 3.18Å; C476-G480 PolarHBondContact O-N 2.82Å; G480-S482 PolarHBondContact O-N 2.73Å
481	K	88.6	Confident	86.6	Confident	122 Å²	122	74.9 Å²	74.9	53%	0.53	41%	0.408	S	S	.	.			trans	-68.2	122.7	-173.7	-69	-179.8	-178.4	179.5	0	111.9	C476 C479 F483	C476-K481 WeakPolarHBondContact CB-O 3.37Å; C476-K481 PolarHBondContact N-O 3.04Å; C479-K481 PolarHBondContact O-N 3.34Å; K481-F483 HydrophobicContact CB-CE2 3.85Å; K481-F483 HydrophobicContact CB-CZ 4.02Å; K481-F483 WeakPolarHBondContact O-CD2 3.46Å; K481-F483 WeakPolarHBondContact O-CE2 3.31Å
482	S	90.3	Very high	86.8	Confident	56 Å²	56	71.3 Å²	71.3	39%	0.392	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.9	-178.1	-33.2	0	0	0	0	112.5	K472 G480	K472-S482 VanDerWaalsContact CB-CB 3.46Å; K472-S482 WeakPolarHBondContact O-CB 3.44Å; G480-S482 PolarHBondContact O-N 2.73Å
483	F	88.1	Confident	86.7	Confident	43 Å²	43	67.5 Å²	67.5	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.9	-179.6	-60.6	-86.4	0	0	0	112	K472 Y474 C476 K481 Y485 N488 L489 H492	K472-F483 CarbonylContact C-O 3.59Å; K472-F483 VanDerWaalsContact CA-O 3.27Å; K472-F483 WeakPolarHBondContact CA-O 3.34Å; Y474-F483 PolarHBondContact N-O 2.98Å; Y474-F483 VanDerWaalsContact N-O 3.08Å; Y474-F483 PolarHBondContact O-N 2.96Å; C476-F483 HydrophobicContact CB-CE2 4.29Å; K481-F483 HydrophobicContact CB-CE2 3.85Å; K481-F483 HydrophobicContact CB-CZ 4.02Å; K481-F483 WeakPolarHBondContact O-CD2 3.46Å; K481-F483 WeakPolarHBondContact O-CE2 3.31Å; F483-Y485 VanDerWaalsContact C-N 3.33Å; F483-N488 HydrophobicContact CB-CB 4.15Å; F483-N488 HydrophobicContact CD1-CB 3.96Å; F483-N488 HydrophobicContact CG-CB 4.3Å; F483-L489 HydrophobicContact CB-CB 4.35Å; F483-L489 HydrophobicContact CD2-CB 3.98Å; F483-L489 HydrophobicContact CD2-CD1 4Å; F483-L489 HydrophobicContact CE2-CD1 4.21Å; F483-L489 HydrophobicContact CG-CB 4.37Å; F483-H492 HydrophobicContact CE1-CB 4.12Å; F483-H492 HydrophobicContact CE2-CB 3.88Å; F483-H492 AromaticContact CE2-CD2 3.42Å; F483-H492 VanDerWaalsContact CE2-CD2 3.42Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.44Å; F483-H492 AromaticContact CE2-CG 3.75Å; F483-H492 HydrophobicContact CZ-CB 3.54Å; F483-H492 AromaticContact CZ-CD2 3.4Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.42Å; F483-H492 AromaticContact CZ-CG 3.34Å
484	Q	85.5	Confident	86.7	Confident	39 Å²	39	65.7 Å²	65.7	18%	0.182	37%	0.37	C	S	.	.	S	Bend	trans	-71.3	-26.5	178.8	-163.2	-170	-3	0	0	113.1	R466 T467	R466-Q484 HydrophobicContact CB-CG 3.96Å; T467-Q484 VanDerWaalsContact N-NE2 3.11Å
485	Y	86.4	Confident	86.4	Confident	48 Å²	48	65.5 Å²	65.5	19%	0.188	38%	0.378	C	S	.	.	S	Bend	trans	-136.8	143.7	-174.7	-47.4	-50.4	0	0	0	111.9	R463 Y474 F483 H487 N488 L489	R463-Y485 HydrophobicContact CG-CD1 3.95Å; R463-Y485 HydrophobicContact CG-CE1 3.36Å; Y474-Y485 VanDerWaalsContact CD2-CA 3.48Å; F483-Y485 VanDerWaalsContact C-N 3.33Å; Y485-H487 VanDerWaalsContact C-N 3.34Å; Y485-H487 WeakPolarHBondContact CB-CE1 3.21Å; Y485-H487 AromaticContact CD2-CE1 3.54Å; Y485-H487 AromaticContact CD2-NE2 3.71Å; Y485-H487 AromaticContact CG-CE1 3.66Å; Y485-H487 PolarHBondContact O-N 3.1Å; Y485-N488 WeakPolarHBondContact O-CB 3.47Å; Y485-N488 PolarHBondContact O-N 3.46Å; Y485-L489 PolarHBondContact O-N 3.04Å
486	S	85.3	Confident	86.1	Confident	66 Å²	66	65 Å²	65	46%	0.462	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-41.4	179.7	51.6	0	0	0	0	113.7	Y474 N488 L489 S490	Y474-S486 VanDerWaalsContact CD2-N 3.29Å; S486-N488 PolarHBondContact O-N 3.34Å; S486-L489 PolarHBondContact O-N 3.48Å; S486-L489 VanDerWaalsContact O-N 3.14Å; S486-S490 PolarHBondContact O-N 2.9Å
487	H	82.9	Confident	85.5	Confident	106 Å²	106	68.6 Å²	68.6	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-27.4	177.5	65.2	-102.5	0	0	0	112.9	Y485 R491	Y485-H487 VanDerWaalsContact C-N 3.34Å; Y485-H487 WeakPolarHBondContact CB-CE1 3.21Å; Y485-H487 AromaticContact CD2-CE1 3.54Å; Y485-H487 AromaticContact CD2-NE2 3.71Å; Y485-H487 AromaticContact CG-CE1 3.66Å; Y485-H487 PolarHBondContact O-N 3.1Å; H487-R491 WeakPolarHBondContact O-CB 3.49Å; H487-R491 PolarHBondContact O-N 3.45Å
488	N	86.1	Confident	84.8	Confident	35 Å²	35	72.1 Å²	72.1	19%	0.187	39%	0.389	C	S	.	.	H	α-helix	trans	-76	-37.1	174.7	-79.5	-25.9	0	0	0	111.5	F483 Y485 S486 R491 H492	F483-N488 HydrophobicContact CB-CB 4.15Å; F483-N488 HydrophobicContact CD1-CB 3.96Å; F483-N488 HydrophobicContact CG-CB 4.3Å; Y485-N488 WeakPolarHBondContact O-CB 3.47Å; Y485-N488 PolarHBondContact O-N 3.46Å; S486-N488 PolarHBondContact O-N 3.34Å; N488-R491 PolarHBondContact OD1-NH2 3.36Å; N488-H492 VanDerWaalsContact O-CB 3.3Å; N488-H492 WeakPolarHBondContact O-CB 3.33Å; N488-H492 PolarHBondContact O-N 3.1Å
489	L	88	Confident	84.2	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-48.1	171	171.4	59.6	0	0	0	111.6	T475 C476 F483 Y485 S486 R491 H492 A493	T475-L489 WeakPolarHBondContact O-CD2 3.49Å; C476-L489 HydrophobicContact CB-CD1 3.52Å; F483-L489 HydrophobicContact CB-CB 4.35Å; F483-L489 HydrophobicContact CD2-CB 3.98Å; F483-L489 HydrophobicContact CD2-CD1 4Å; F483-L489 HydrophobicContact CE2-CD1 4.21Å; F483-L489 HydrophobicContact CG-CB 4.37Å; Y485-L489 PolarHBondContact O-N 3.04Å; S486-L489 PolarHBondContact O-N 3.48Å; S486-L489 VanDerWaalsContact O-N 3.14Å; L489-R491 PolarHBondContact O-N 3.2Å; L489-H492 CarbonylContact O-C 3.4Å; L489-H492 WeakPolarHBondContact O-CA 3.47Å; L489-H492 WeakPolarHBondContact O-CB 3.24Å; L489-H492 PolarHBondContact O-N 2.99Å; L489-A493 PolarHBondContact O-N 3.33Å
490	S	85.4	Confident	83.7	Confident	84 Å²	84	76.4 Å²	76.4	59%	0.587	40%	0.396	S	S	*	.	H	α-helix	trans	-57.5	-47.6	176.7	169.7	0	0	0	0	111.7	S486 H492 A493	S486-S490 PolarHBondContact O-N 2.9Å; S490-H492 VanDerWaalsContact C-N 3.27Å; S490-H492 PolarHBondContact O-N 2.95Å; S490-A493 WeakPolarHBondContact O-CB 3.42Å; S490-A493 PolarHBondContact O-N 3.49Å
491	R	83.6	Confident	83.2	Confident	127 Å²	127	77.4 Å²	77.4	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-31.9	174.1	-177.9	165	68.2	132.5	-6.3	113.4	H487 N488 L489 Q513	H487-R491 WeakPolarHBondContact O-CB 3.49Å; H487-R491 PolarHBondContact O-N 3.45Å; N488-R491 PolarHBondContact OD1-NH2 3.36Å; L489-R491 PolarHBondContact O-N 3.2Å; R491-Q513 HydrophobicContact CG-CG 4.33Å
492	H	87.1	Confident	82.9	Confident	28 Å²	28	74.6 Å²	74.6	13%	0.13	38%	0.381	C	S	.	.	H	α-helix	trans	-73.7	-35.2	174.6	179.4	52.4	0	0	0	112.8	C479 F483 N488 L489 S490 V494 V495 H496	C479-H492 PolarHBondContact SG-NE2 3.25Å; F483-H492 HydrophobicContact CE1-CB 4.12Å; F483-H492 HydrophobicContact CE2-CB 3.88Å; F483-H492 AromaticContact CE2-CD2 3.42Å; F483-H492 VanDerWaalsContact CE2-CD2 3.42Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.44Å; F483-H492 AromaticContact CE2-CG 3.75Å; F483-H492 HydrophobicContact CZ-CB 3.54Å; F483-H492 AromaticContact CZ-CD2 3.4Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.42Å; F483-H492 AromaticContact CZ-CG 3.34Å; N488-H492 VanDerWaalsContact O-CB 3.3Å; N488-H492 WeakPolarHBondContact O-CB 3.33Å; N488-H492 PolarHBondContact O-N 3.1Å; L489-H492 CarbonylContact O-C 3.4Å; L489-H492 WeakPolarHBondContact O-CA 3.47Å; L489-H492 WeakPolarHBondContact O-CB 3.24Å; L489-H492 PolarHBondContact O-N 2.99Å; S490-H492 VanDerWaalsContact C-N 3.27Å; S490-H492 PolarHBondContact O-N 2.95Å; H492-V494 PolarHBondContact O-N 2.65Å; H492-V495 VanDerWaalsContact O-CB 3.23Å; H492-V495 WeakPolarHBondContact O-CB 3.32Å; H492-V495 WeakPolarHBondContact O-CG2 3.3Å; H492-V495 PolarHBondContact O-N 3.04Å; H492-H496 AromaticContact CD2-NE2 3.13Å; H492-H496 PolarHBondContact CD2-NE2 2.96Å; H492-H496 AromaticContact CE1-NE2 3.46Å; H492-H496 PolarHBondContact CE1-NE2 3.21Å; H492-H496 AromaticContact NE2-CE1 3.89Å; H492-H496 AromaticContact NE2-NE2 2.56Å; H492-H496 PolarHBondContact NE2-NE2 2.97Å
493	A	83.3	Confident	82.5	Confident	43 Å²	43	74 Å²	74	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-58.6	-33.7	-178.4	0	0	0	0	0	113	L489 S490 V495 H496 T497	L489-A493 PolarHBondContact O-N 3.33Å; S490-A493 WeakPolarHBondContact O-CB 3.42Å; S490-A493 PolarHBondContact O-N 3.49Å; A493-V495 PolarHBondContact O-N 3.42Å; A493-V495 VanDerWaalsContact O-N 3.13Å; A493-H496 WeakPolarHBondContact O-CB 3.44Å; A493-H496 PolarHBondContact O-N 2.79Å; A493-T497 PolarHBondContact O-N 3.36Å
494	V	83.7	Confident	82.3	Confident	35 Å²	35	72.1 Å²	72.1	21%	0.212	37%	0.372	C	S	.	.	H	α-helix	trans	-57.7	-24	174.1	-173.3	0	0	0	0	112.8	H492 H496 T497 R498 E499 T512	H492-V494 PolarHBondContact O-N 2.65Å; V494-H496 VanDerWaalsContact C-N 3.32Å; V494-T497 PolarHBondContact O-OG1 3.43Å; V494-R498 PolarHBondContact O-N 3.41Å; V494-E499 VanDerWaalsContact CG1-O 3.22Å; V494-E499 WeakPolarHBondContact CG1-O 3.4Å; V494-T512 HydrophobicContact CG1-CG2 4.11Å
495	V	81.9	Confident	82	Confident	81 Å²	81	78.7 Å²	78.7	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-32	174.7	-176.1	0	0	0	0	111.4	H492 A493	H492-V495 VanDerWaalsContact O-CB 3.23Å; H492-V495 WeakPolarHBondContact O-CB 3.32Å; H492-V495 WeakPolarHBondContact O-CG2 3.3Å; H492-V495 PolarHBondContact O-N 3.04Å; A493-V495 PolarHBondContact O-N 3.42Å; A493-V495 VanDerWaalsContact O-N 3.13Å
496	H	82.8	Confident	81.5	Confident	74 Å²	74	81.2 Å²	81.2	34%	0.343	41%	0.409	S	S	.	.	H	α-helix	trans	-80.9	-39.6	-179.7	-61.5	-54.8	0	0	0	112.4	C476 T478 C479 H492 A493 V494 R498	C476-H496 PolarHBondContact SG-NE2 3.26Å; T478-H496 HydrophobicContact CG2-CB 4.14Å; C479-H496 WeakPolarHBondContact CB-CE1 3.34Å; C479-H496 PolarHBondContact SG-CE1 2.98Å; C479-H496 PolarHBondContact SG-NE2 3.43Å; H492-H496 AromaticContact CD2-NE2 3.13Å; H492-H496 PolarHBondContact CD2-NE2 2.96Å; H492-H496 AromaticContact CE1-NE2 3.46Å; H492-H496 PolarHBondContact CE1-NE2 3.21Å; H492-H496 AromaticContact NE2-CE1 3.89Å; H492-H496 AromaticContact NE2-NE2 2.56Å; H492-H496 PolarHBondContact NE2-NE2 2.97Å; A493-H496 WeakPolarHBondContact O-CB 3.44Å; A493-H496 PolarHBondContact O-N 2.79Å; V494-H496 VanDerWaalsContact C-N 3.32Å; H496-R498 PolarHBondContact O-N 3.05Å
497	T	77.6	Confident	81.3	Confident	78 Å²	78	81.1 Å²	81.1	48%	0.479	41%	0.408	S	S	.	.	H	α-helix	trans	-69.1	-16.4	173.2	69	0	0	0	0	112.4	A493 V494 E499	A493-T497 PolarHBondContact O-N 3.36Å; V494-T497 PolarHBondContact O-OG1 3.43Å; T497-E499 WeakPolarHBondContact CB-OE2 3.29Å; T497-E499 PolarHBondContact O-N 2.93Å; T497-E499 WeakPolarHBondContact OG1-CB 3.46Å; T497-E499 WeakPolarHBondContact OG1-CG 3.16Å; T497-E499 PolarHBondContact OG1-N 2.88Å; T497-E499 PolarHBondContact OG1-OE2 2.97Å
498	R	72.6	Confident	81	Confident	216 Å²	216	84 Å²	84	82%	0.815	42%	0.421	S	S	*	.			trans	59.5	6.4	-172.7	-58.1	-178.6	173.9	-171.7	-0.8	114.1	V494 H496	V494-R498 PolarHBondContact O-N 3.41Å; H496-R498 PolarHBondContact O-N 3.05Å
499	E	74.5	Confident	80.8	Confident	123 Å²	123	89.7 Å²	89.7	58%	0.575	44%	0.44	S	S	*	.			trans	-67.1	139.7	-177.8	-67.5	168.8	129	0	0	110.7	V494 T497 P501	V494-E499 VanDerWaalsContact CG1-O 3.22Å; V494-E499 WeakPolarHBondContact CG1-O 3.4Å; T497-E499 WeakPolarHBondContact CB-OE2 3.29Å; T497-E499 PolarHBondContact O-N 2.93Å; T497-E499 WeakPolarHBondContact OG1-CB 3.46Å; T497-E499 WeakPolarHBondContact OG1-CG 3.16Å; T497-E499 PolarHBondContact OG1-N 2.88Å; T497-E499 PolarHBondContact OG1-OE2 2.97Å; E499-P501 WeakPolarHBondContact O-CD 3.46Å
500	K	77.8	Confident	80.6	Confident	108 Å²	108	94.6 Å²	94.6	47%	0.47	46%	0.456	S	S	.	.			trans	-121.6	79	177.5	-66.8	174	177	-179.6	0	108.1	H502 R510 F511 T512	K500-H502 PolarHBondContact O-N 3.03Å; K500-R510 HydrophobicContact CB-CB 3.43Å; K500-R510 VanDerWaalsContact CB-CB 3.43Å; K500-R510 HydrophobicContact CD-CB 4.11Å; K500-R510 HydrophobicContact CG-CB 4.38Å; K500-R510 PolarHBondContact O-NE 3.4Å; K500-R510 PolarHBondContact O-NH2 3.41Å; K500-F511 CarbonylContact C-O 3.18Å; K500-F511 WeakPolarHBondContact CA-O 3.37Å; K500-T512 HydrophobicContact CG-CG2 4.03Å
501	P	76.8	Confident	80.4	Confident	76 Å²	76	92.1 Å²	92.1	49%	0.494	44%	0.435	S	S	.	.			trans	-65.5	-26.3	-174.1	24.7	-33.4	0	0	0	112.4	E499 A503	E499-P501 WeakPolarHBondContact O-CD 3.46Å; P501-A503 PolarHBondContact O-N 2.87Å
502	H	81.5	Confident	80.3	Confident	62 Å²	62	88.1 Å²	88.1	29%	0.287	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	93.9	-175.6	-55.3	-62.8	0	0	0	111.4	K500 R510 F511 S514 L517	K500-H502 PolarHBondContact O-N 3.03Å; H502-R510 CarbonylContact O-C 3.55Å; H502-R510 WeakPolarHBondContact O-CA 3.19Å; H502-F511 HydrophobicContact CB-CB 4.32Å; H502-F511 PolarHBondContact N-O 3.01Å; H502-F511 PolarHBondContact O-N 3.31Å; H502-S514 PolarHBondContact CD2-N 3.04Å; H502-S514 PolarHBondContact NE2-N 3.04Å; H502-L517 HydrophobicContact CB-CB 4.1Å; H502-L517 HydrophobicContact CB-CD2 3.81Å
503	A	82	Confident	80.1	Confident	44 Å²	44	89.6 Å²	89.6	36%	0.364	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.1	175.7	0	0	0	0	0	112.6	P501 R510	P501-A503 PolarHBondContact O-N 2.87Å; A503-R510 HydrophobicContact CB-CG 4.05Å
504	C	83.3	Confident	79.9	Confident	3 Å²	3	91.3 Å²	91.3	2%	0.02	44%	0.441	C	S	.	.			trans	-80.7	125.5	170.2	-172.8	0	0	0	0	111.3	W506 E508 R509 F511 L517 H520 H525	C504-W506 PolarHBondContact O-N 3.36Å; C504-E508 VanDerWaalsContact O-CA 3.23Å; C504-E508 WeakPolarHBondContact O-CA 3.49Å; C504-E508 PolarHBondContact O-N 3Å; C504-R509 WeakPolarHBondContact CB-O 3.34Å; C504-R509 PolarHBondContact N-O 3.4Å; C504-F511 HydrophobicContact CB-CE2 4.41Å; C504-L517 HydrophobicContact CB-CD1 3.68Å; C504-H520 PolarHBondContact SG-NE2 2.93Å; C504-H525 PolarHBondContact SG-CD2 3.06Å; C504-H525 PolarHBondContact SG-NE2 3.48Å; C504-H525 VanDerWaalsContact SG-NE2 3.41Å
505	K	79.8	Confident	79.8	Confident	177 Å²	177	91.7 Å²	91.7	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.9	-178.8	-64.3	-170.9	177.6	-173.9	0	114.7
506	W	75.7	Confident	79.8	Confident	102 Å²	102	89.2 Å²	89.2	39%	0.386	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-11.4	-173.2	-60.4	-73.8	0	0	0	115.3	C504 I521 H525 L528 L532	C504-W506 PolarHBondContact O-N 3.36Å; W506-I521 HydrophobicContact CE3-CG1 4.2Å; W506-I521 HydrophobicContact CE3-CG2 4.42Å; W506-I521 HydrophobicContact CH2-CG2 4.45Å; W506-I521 HydrophobicContact CZ3-CB 4.42Å; W506-I521 HydrophobicContact CZ3-CD1 3.87Å; W506-I521 HydrophobicContact CZ3-CG1 3.82Å; W506-I521 HydrophobicContact CZ3-CG2 3.71Å; W506-H525 HydrophobicContact CD2-CB 4.48Å; W506-H525 HydrophobicContact CE3-CB 4.16Å; W506-H525 AromaticContact CE3-CD2 3.89Å; W506-L528 HydrophobicContact CG-CD2 4.33Å; W506-L532 HydrophobicContact CH2-CD1 4.49Å; W506-L532 HydrophobicContact CZ2-CD1 3.58Å
507	C	81.4	Confident	79.9	Confident	63 Å²	63	86.9 Å²	86.9	43%	0.426	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	17.4	174.8	65.6	0	0	0	0	113.3	R509 H520 H525	C507-R509 PolarHBondContact O-N 3.26Å; C507-H520 PolarHBondContact SG-CE1 3.39Å; C507-H520 PolarHBondContact SG-NE2 2.99Å; C507-H525 PolarHBondContact SG-NE2 3.07Å
508	E	77.3	Confident	80	Confident	166 Å²	166	89.9 Å²	89.9	78%	0.776	43%	0.429	S	S	*	.			trans	58.8	-7.1	176.7	-56.9	-176.5	171.3	0	0	116.5	C504 R510	C504-E508 VanDerWaalsContact O-CA 3.23Å; C504-E508 WeakPolarHBondContact O-CA 3.49Å; C504-E508 PolarHBondContact O-N 3Å; E508-R510 WeakPolarHBondContact O-CG 3.19Å; E508-R510 PolarHBondContact O-N 3.35Å
509	R	80.1	Confident	80.3	Confident	156 Å²	156	86.3 Å²	86.3	59%	0.589	42%	0.416	S	S	*	.			trans	-57	123.4	-178	-167.6	170.6	-175.2	149.8	3.8	110.7	C504 C507 F511	C504-R509 WeakPolarHBondContact CB-O 3.34Å; C504-R509 PolarHBondContact N-O 3.4Å; C507-R509 PolarHBondContact O-N 3.26Å; R509-F511 HydrophobicContact CB-CE2 4.1Å; R509-F511 HydrophobicContact CB-CZ 4.29Å; R509-F511 HydrophobicContact CG-CE2 3.96Å; R509-F511 HydrophobicContact CG-CZ 3.75Å; R509-F511 WeakPolarHBondContact O-CD2 3.4Å; R509-F511 WeakPolarHBondContact O-CE2 3.44Å
510	R	84.3	Confident	80.7	Confident	141 Å²	141	81.1 Å²	81.1	53%	0.532	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.1	-175.3	-46.8	-174	65.3	130.8	-0.9	112.1	K500 H502 A503 E508	K500-R510 HydrophobicContact CB-CB 3.43Å; K500-R510 VanDerWaalsContact CB-CB 3.43Å; K500-R510 HydrophobicContact CD-CB 4.11Å; K500-R510 HydrophobicContact CG-CB 4.38Å; K500-R510 PolarHBondContact O-NE 3.4Å; K500-R510 PolarHBondContact O-NH2 3.41Å; H502-R510 CarbonylContact O-C 3.55Å; H502-R510 WeakPolarHBondContact O-CA 3.19Å; A503-R510 HydrophobicContact CB-CG 4.05Å; E508-R510 WeakPolarHBondContact O-CG 3.19Å; E508-R510 PolarHBondContact O-N 3.35Å
511	F	82.4	Confident	80.8	Confident	31 Å²	31	77.2 Å²	77.2	14%	0.136	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.8	-175.5	-58.7	-90.7	0	0	0	111.2	K500 H502 C504 R509 D516 L517 H520	K500-F511 CarbonylContact C-O 3.18Å; K500-F511 WeakPolarHBondContact CA-O 3.37Å; H502-F511 HydrophobicContact CB-CB 4.32Å; H502-F511 PolarHBondContact N-O 3.01Å; H502-F511 PolarHBondContact O-N 3.31Å; C504-F511 HydrophobicContact CB-CE2 4.41Å; R509-F511 HydrophobicContact CB-CE2 4.1Å; R509-F511 HydrophobicContact CB-CZ 4.29Å; R509-F511 HydrophobicContact CG-CE2 3.96Å; R509-F511 HydrophobicContact CG-CZ 3.75Å; R509-F511 WeakPolarHBondContact O-CD2 3.4Å; R509-F511 WeakPolarHBondContact O-CE2 3.44Å; F511-D516 HydrophobicContact CB-CB 4.21Å; F511-D516 HydrophobicContact CD1-CB 3.78Å; F511-D516 HydrophobicContact CG-CB 4.27Å; F511-L517 HydrophobicContact CB-CB 4.29Å; F511-L517 HydrophobicContact CD2-CB 3.84Å; F511-L517 HydrophobicContact CD2-CD1 3.76Å; F511-L517 HydrophobicContact CD2-CG 4.39Å; F511-L517 HydrophobicContact CE2-CD1 3.87Å; F511-L517 HydrophobicContact CG-CB 4.19Å; F511-H520 HydrophobicContact CE1-CB 3.95Å; F511-H520 HydrophobicContact CE2-CB 4.09Å; F511-H520 AromaticContact CE2-CD2 3.44Å; F511-H520 VanDerWaalsContact CE2-CD2 3.44Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.39Å; F511-H520 AromaticContact CE2-CG 3.84Å; F511-H520 HydrophobicContact CZ-CB 3.44Å; F511-H520 VanDerWaalsContact CZ-CB 3.44Å; F511-H520 AromaticContact CZ-CD2 3.45Å; F511-H520 VanDerWaalsContact CZ-CD2 3.45Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.38Å; F511-H520 AromaticContact CZ-CG 3.34Å
512	T	81.3	Confident	80.9	Confident	44 Å²	44	81.6 Å²	81.6	27%	0.27	38%	0.382	S	S	.	.	S	Bend	trans	-82.9	-15.8	174.7	50.7	0	0	0	0	112.9	V494 K500	V494-T512 HydrophobicContact CG1-CG2 4.11Å; K500-T512 HydrophobicContact CG-CG2 4.03Å
513	Q	82.2	Confident	80.7	Confident	59 Å²	59	86.3 Å²	86.3	28%	0.276	40%	0.402	S	S	.	.	S	Bend	trans	-131.3	142.7	179.6	-48.9	178.5	62.9	0	0	111.5	R491 G515 D516 L517	R491-Q513 HydrophobicContact CG-CG 4.33Å; Q513-G515 VanDerWaalsContact C-N 3.31Å; Q513-G515 PolarHBondContact O-N 3.45Å; Q513-D516 HydrophobicContact CB-CB 4.32Å; Q513-D516 WeakPolarHBondContact CB-OD2 3.43Å; Q513-D516 VanDerWaalsContact CD-OD2 3.29Å; Q513-D516 WeakPolarHBondContact CG-OD2 3.25Å; Q513-D516 PolarHBondContact NE2-OD2 3.32Å; Q513-D516 PolarHBondContact O-N 3.46Å; Q513-L517 PolarHBondContact O-N 3.28Å
514	S	79.9	Confident	80.4	Confident	78 Å²	78	90.2 Å²	90.2	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-35.4	174.7	55	0	0	0	0	112.7	H502 D516 L517 Y518	H502-S514 PolarHBondContact CD2-N 3.04Å; H502-S514 PolarHBondContact NE2-N 3.04Å; S514-D516 VanDerWaalsContact C-N 3.34Å; S514-D516 PolarHBondContact O-N 3.39Å; S514-L517 PolarHBondContact O-N 3.44Å; S514-Y518 PolarHBondContact O-N 2.92Å
515	G	81	Confident	80.1	Confident	43 Å²	43	91.4 Å²	91.4	44%	0.443	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-35.4	175	0	0	0	0	0	113.4	Q513 Y518 R519	Q513-G515 VanDerWaalsContact C-N 3.31Å; Q513-G515 PolarHBondContact O-N 3.45Å; G515-Y518 PolarHBondContact O-N 3.31Å; G515-R519 WeakPolarHBondContact O-CB 3.43Å; G515-R519 PolarHBondContact O-N 3.07Å
516	D	82.6	Confident	79.4	Confident	29 Å²	29	85.8 Å²	85.8	16%	0.155	40%	0.399	C	S	.	.	H	α-helix	trans	-70.4	-41.9	175.3	-71.1	-41.9	0	0	0	111.5	F511 Q513 S514 R519 H520	F511-D516 HydrophobicContact CB-CB 4.21Å; F511-D516 HydrophobicContact CD1-CB 3.78Å; F511-D516 HydrophobicContact CG-CB 4.27Å; Q513-D516 HydrophobicContact CB-CB 4.32Å; Q513-D516 WeakPolarHBondContact CB-OD2 3.43Å; Q513-D516 VanDerWaalsContact CD-OD2 3.29Å; Q513-D516 WeakPolarHBondContact CG-OD2 3.25Å; Q513-D516 PolarHBondContact NE2-OD2 3.32Å; Q513-D516 PolarHBondContact O-N 3.46Å; S514-D516 VanDerWaalsContact C-N 3.34Å; S514-D516 PolarHBondContact O-N 3.39Å; D516-R519 PolarHBondContact O-N 2.94Å; D516-R519 IonicContact OD1-CZ 3.22Å; D516-R519 IonicContact OD1-NE 2.79Å; D516-R519 IonicContact OD1-NH2 3.79Å; D516-R519 PolarHBondContact OD1-NH2 2.82Å; D516-H520 WeakPolarHBondContact O-CB 3.49Å; D516-H520 PolarHBondContact O-N 3.02Å
517	L	84.1	Confident	78.4	Confident	26 Å²	26	88.9 Å²	88.9	14%	0.136	42%	0.417	C	S	.	.	H	α-helix	trans	-58.6	-47.3	171.7	173.4	60.2	0	0	0	111	H502 C504 F511 Q513 S514 H520 I521	H502-L517 HydrophobicContact CB-CB 4.1Å; H502-L517 HydrophobicContact CB-CD2 3.81Å; C504-L517 HydrophobicContact CB-CD1 3.68Å; F511-L517 HydrophobicContact CB-CB 4.29Å; F511-L517 HydrophobicContact CD2-CB 3.84Å; F511-L517 HydrophobicContact CD2-CD1 3.76Å; F511-L517 HydrophobicContact CD2-CG 4.39Å; F511-L517 HydrophobicContact CE2-CD1 3.87Å; F511-L517 HydrophobicContact CG-CB 4.19Å; Q513-L517 PolarHBondContact O-N 3.28Å; S514-L517 PolarHBondContact O-N 3.44Å; L517-H520 PolarHBondContact O-N 3.47Å; L517-I521 HydrophobicContact CD1-CD1 3.66Å; L517-I521 HydrophobicContact CD1-CG1 3.96Å; L517-I521 HydrophobicContact CD2-CD1 4.42Å; L517-I521 HydrophobicContact CG-CD1 3.7Å; L517-I521 HydrophobicContact CG-CG1 4.42Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.33Å; L517-I521 PolarHBondContact O-N 3.47Å
518	Y	79.6	Confident	77	Confident	141 Å²	141	89.6 Å²	89.6	55%	0.553	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-42.9	178.1	-174.7	-99.8	0	0	0	112.4	S514 G515 H520 I521 R522	S514-Y518 PolarHBondContact O-N 2.92Å; G515-Y518 PolarHBondContact O-N 3.31Å; Y518-H520 VanDerWaalsContact C-N 3.29Å; Y518-H520 PolarHBondContact O-N 3.22Å; Y518-I521 PolarHBondContact O-N 3.36Å; Y518-R522 VanDerWaalsContact O-CB 3.28Å; Y518-R522 WeakPolarHBondContact O-CB 3.45Å; Y518-R522 PolarHBondContact O-N 2.73Å
519	R	78.3	Confident	75.7	Confident	140 Å²	140	84.7 Å²	84.7	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-58.8	-39.7	173.9	174.2	159.4	62.1	171.2	-4.1	111.7	D252 G515 D516 K523	D252-R519 IonicContact OD2-NH1 3Å; G515-R519 WeakPolarHBondContact O-CB 3.43Å; G515-R519 PolarHBondContact O-N 3.07Å; D516-R519 PolarHBondContact O-N 2.94Å; D516-R519 IonicContact OD1-CZ 3.22Å; D516-R519 IonicContact OD1-NE 2.79Å; D516-R519 IonicContact OD1-NH2 3.79Å; D516-R519 PolarHBondContact OD1-NH2 2.82Å; R519-K523 WeakPolarHBondContact O-CB 3.43Å; R519-K523 PolarHBondContact O-N 3.2Å
520	H	83.5	Confident	73.9	Confident	14 Å²	14	82.2 Å²	82.2	7%	0.065	40%	0.396	C	S	.	.	H	α-helix	trans	-68.7	-51.7	173.9	159.3	69.7	0	0	0	112.4	C504 C507 F511 D516 L517 Y518 R522 K523 F524 H525	C504-H520 PolarHBondContact SG-NE2 2.93Å; C507-H520 PolarHBondContact SG-CE1 3.39Å; C507-H520 PolarHBondContact SG-NE2 2.99Å; F511-H520 HydrophobicContact CE1-CB 3.95Å; F511-H520 HydrophobicContact CE2-CB 4.09Å; F511-H520 AromaticContact CE2-CD2 3.44Å; F511-H520 VanDerWaalsContact CE2-CD2 3.44Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.39Å; F511-H520 AromaticContact CE2-CG 3.84Å; F511-H520 HydrophobicContact CZ-CB 3.44Å; F511-H520 VanDerWaalsContact CZ-CB 3.44Å; F511-H520 AromaticContact CZ-CD2 3.45Å; F511-H520 VanDerWaalsContact CZ-CD2 3.45Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.38Å; F511-H520 AromaticContact CZ-CG 3.34Å; D516-H520 WeakPolarHBondContact O-CB 3.49Å; D516-H520 PolarHBondContact O-N 3.02Å; L517-H520 PolarHBondContact O-N 3.47Å; Y518-H520 VanDerWaalsContact C-N 3.29Å; Y518-H520 PolarHBondContact O-N 3.22Å; H520-R522 VanDerWaalsContact C-N 3.29Å; H520-R522 PolarHBondContact O-N 2.92Å; H520-K523 PolarHBondContact O-N 3.42Å; H520-F524 AromaticContact ND1-CD2 3.29Å; H520-F524 VanDerWaalsContact ND1-CD2 3.29Å; H520-F524 WeakPolarHBondContact ND1-CD2 3.29Å; H520-F524 AromaticContact ND1-CG 3.9Å; H520-F524 WeakPolarHBondContact O-CD2 3.43Å; H520-F524 PolarHBondContact O-N 2.99Å; H520-H525 AromaticContact CE1-NE2 3.74Å; H520-H525 AromaticContact NE2-CD2 3.83Å; H520-H525 AromaticContact NE2-NE2 3.48Å; H520-H525 PolarHBondContact NE2-NE2 3.44Å
521	I	80.6	Confident	71.8	Confident	27 Å²	27	78.6 Å²	78.6	14%	0.138	39%	0.393	C	S	.	.	H	α-helix	trans	-54.2	-47.4	177.9	-70	164.2	0	0	0	110.5	W506 L517 Y518 K523 F524 H525 C526 V529	W506-I521 HydrophobicContact CE3-CG1 4.2Å; W506-I521 HydrophobicContact CE3-CG2 4.42Å; W506-I521 HydrophobicContact CH2-CG2 4.45Å; W506-I521 HydrophobicContact CZ3-CB 4.42Å; W506-I521 HydrophobicContact CZ3-CD1 3.87Å; W506-I521 HydrophobicContact CZ3-CG1 3.82Å; W506-I521 HydrophobicContact CZ3-CG2 3.71Å; L517-I521 HydrophobicContact CD1-CD1 3.66Å; L517-I521 HydrophobicContact CD1-CG1 3.96Å; L517-I521 HydrophobicContact CD2-CD1 4.42Å; L517-I521 HydrophobicContact CG-CD1 3.7Å; L517-I521 HydrophobicContact CG-CG1 4.42Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.33Å; L517-I521 PolarHBondContact O-N 3.47Å; Y518-I521 PolarHBondContact O-N 3.36Å; I521-K523 VanDerWaalsContact C-N 3.26Å; I521-K523 PolarHBondContact O-N 3.28Å; I521-F524 PolarHBondContact O-N 3.4Å; I521-H525 HydrophobicContact CG2-CB 4.39Å; I521-H525 CarbonylContact O-C 3.59Å; I521-H525 WeakPolarHBondContact O-CA 3.48Å; I521-H525 WeakPolarHBondContact O-CB 3.49Å; I521-H525 PolarHBondContact O-N 3.12Å; I521-C526 PolarHBondContact O-N 2.97Å; I521-V529 HydrophobicContact CG2-CG2 3.51Å
522	R	78.9	Confident	70	Confident	168 Å²	168	82 Å²	82	63%	0.634	41%	0.411	S	S	*	.	H	α-helix	trans	-64.2	-27.1	-179.9	-164.4	178	-165.7	171.8	7.1	113.7	Y518 H520 C526	Y518-R522 VanDerWaalsContact O-CB 3.28Å; Y518-R522 WeakPolarHBondContact O-CB 3.45Å; Y518-R522 PolarHBondContact O-N 2.73Å; H520-R522 VanDerWaalsContact C-N 3.29Å; H520-R522 PolarHBondContact O-N 2.92Å; R522-C526 WeakPolarHBondContact O-CB 3.5Å
523	K	75.9	Confident	68	Low	161 Å²	161	84.4 Å²	84.4	70%	0.7	43%	0.43	S	S	*	.	H	α-helix	trans	-91.4	-34.4	179.4	-178.1	169.8	178	175	0	113.6	R519 H520 I521	R519-K523 WeakPolarHBondContact O-CB 3.43Å; R519-K523 PolarHBondContact O-N 3.2Å; H520-K523 PolarHBondContact O-N 3.42Å; I521-K523 VanDerWaalsContact C-N 3.26Å; I521-K523 PolarHBondContact O-N 3.28Å
524	F	75.9	Confident	65.8	Low	126 Å²	126	87.2 Å²	87.2	55%	0.553	45%	0.451	S	S	*	.	H	α-helix	trans	-115.5	-11.8	-169.4	-64.7	-81.8	0	0	0	114.5	H520 I521	H520-F524 AromaticContact ND1-CD2 3.29Å; H520-F524 VanDerWaalsContact ND1-CD2 3.29Å; H520-F524 WeakPolarHBondContact ND1-CD2 3.29Å; H520-F524 AromaticContact ND1-CG 3.9Å; H520-F524 WeakPolarHBondContact O-CD2 3.43Å; H520-F524 PolarHBondContact O-N 2.99Å; I521-F524 PolarHBondContact O-N 3.4Å
525	H	78.6	Confident	63.6	Low	28 Å²	28	92 Å²	92	13%	0.13	46%	0.462	C	S	.	.	S	Bend	trans	-132.1	22.2	180	-56	-53.5	0	0	0	112.3	C504 W506 C507 H520 I521 E527 L528 V529	C504-H525 PolarHBondContact SG-CD2 3.06Å; C504-H525 PolarHBondContact SG-NE2 3.48Å; C504-H525 VanDerWaalsContact SG-NE2 3.41Å; W506-H525 HydrophobicContact CD2-CB 4.48Å; W506-H525 HydrophobicContact CE3-CB 4.16Å; W506-H525 AromaticContact CE3-CD2 3.89Å; C507-H525 PolarHBondContact SG-NE2 3.07Å; H520-H525 AromaticContact CE1-NE2 3.74Å; H520-H525 AromaticContact NE2-CD2 3.83Å; H520-H525 AromaticContact NE2-NE2 3.48Å; H520-H525 PolarHBondContact NE2-NE2 3.44Å; I521-H525 HydrophobicContact CG2-CB 4.39Å; I521-H525 CarbonylContact O-C 3.59Å; I521-H525 WeakPolarHBondContact O-CA 3.48Å; I521-H525 WeakPolarHBondContact O-CB 3.49Å; I521-H525 PolarHBondContact O-N 3.12Å; H525-E527 VanDerWaalsContact C-N 3.33Å; H525-E527 PolarHBondContact O-N 3.17Å; H525-L528 PolarHBondContact O-N 3.19Å; H525-L528 VanDerWaalsContact O-N 3.08Å; H525-V529 PolarHBondContact O-N 3.34Å
526	C	63.5	Low	61.5	Low	59 Å²	59	94.7 Å²	94.7	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-54.4	-45.3	-174.6	-164.3	0	0	0	0	113	I521 R522 L528 V529 N530	I521-C526 PolarHBondContact O-N 2.97Å; R522-C526 WeakPolarHBondContact O-CB 3.5Å; C526-L528 VanDerWaalsContact C-N 3.31Å; C526-L528 PolarHBondContact O-N 3.04Å; C526-V529 PolarHBondContact O-N 3.31Å; C526-N530 PolarHBondContact O-N 3.11Å
527	E	54.3	Low	59	Low	167 Å²	167	101.8 Å²	101.8	78%	0.78	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-34.4	179.7	-62.2	174	166.7	0	0	112.4	H525 S531	H525-E527 VanDerWaalsContact C-N 3.33Å; H525-E527 PolarHBondContact O-N 3.17Å; E527-S531 PolarHBondContact O-N 2.88Å; E527-S531 VanDerWaalsContact O-N 3.11Å
528	L	52	Low	56.6	Low	78 Å²	78	106.7 Å²	106.7	41%	0.408	54%	0.54	S	S	.	.	H	α-helix	trans	-77.2	-33.3	176.8	-93.9	68.9	0	0	0	113	W506 H525 C526 N530 S531 L532	W506-L528 HydrophobicContact CG-CD2 4.33Å; H525-L528 PolarHBondContact O-N 3.19Å; H525-L528 VanDerWaalsContact O-N 3.08Å; C526-L528 VanDerWaalsContact C-N 3.31Å; C526-L528 PolarHBondContact O-N 3.04Å; L528-N530 VanDerWaalsContact C-N 3.3Å; L528-S531 PolarHBondContact O-N 3.26Å; L528-S531 PolarHBondContact O-OG 2.65Å; L528-S531 VanDerWaalsContact O-OG 3.11Å; L528-L532 VanDerWaalsContact O-CG 3.31Å; L528-L532 WeakPolarHBondContact O-CG 3.33Å; L528-L532 PolarHBondContact O-N 3.35Å
529	V	50	Low	54.3	Low	62 Å²	62	107.6 Å²	107.6	38%	0.376	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-41.2	173.4	175.5	0	0	0	0	110.2	I521 H525 C526 L532 S533	I521-V529 HydrophobicContact CG2-CG2 3.51Å; H525-V529 PolarHBondContact O-N 3.34Å; C526-V529 PolarHBondContact O-N 3.31Å; V529-L532 PolarHBondContact O-N 3.33Å; V529-S533 PolarHBondContact O-N 3.39Å
530	N	42.4	Very low	52	Low	104 Å²	104	105.6 Å²	105.6	56%	0.556	57%	0.566	S	S	*	*	H	α-helix	trans	-66.3	-38.4	175.9	-67.7	-18.8	0	0	0	112.2	C526 L528 S533 V534	C526-N530 PolarHBondContact O-N 3.11Å; L528-N530 VanDerWaalsContact C-N 3.3Å; N530-S533 PolarHBondContact O-N 3.24Å; N530-V534 WeakPolarHBondContact O-CG2 3.29Å
531	S	41	Very low	49.5	Very low	66 Å²	66	112.6 Å²	112.6	46%	0.462	60%	0.604	S	S	.	*	H	α-helix	trans	-72.3	-27.3	178.6	74	0	0	0	0	113.9	E527 L528	E527-S531 PolarHBondContact O-N 2.88Å; E527-S531 VanDerWaalsContact O-N 3.11Å; L528-S531 PolarHBondContact O-N 3.26Å; L528-S531 PolarHBondContact O-OG 2.65Å; L528-S531 VanDerWaalsContact O-OG 3.11Å
532	L	43.7	Very low	47	Very low	101 Å²	101	116.7 Å²	116.7	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-75.1	-33.1	173.5	-72	166.9	0	0	0	112.7	W506 L528 V529 V534 K535	W506-L532 HydrophobicContact CH2-CD1 4.49Å; W506-L532 HydrophobicContact CZ2-CD1 3.58Å; L528-L532 VanDerWaalsContact O-CG 3.31Å; L528-L532 WeakPolarHBondContact O-CG 3.33Å; L528-L532 PolarHBondContact O-N 3.35Å; V529-L532 PolarHBondContact O-N 3.33Å; L532-V534 PolarHBondContact O-N 3.18Å; L532-V534 VanDerWaalsContact O-N 3.13Å; L532-K535 PolarHBondContact O-N 3.09Å
533	S	40.5	Very low	44.5	Very low	96 Å²	96	114.6 Å²	114.6	67%	0.671	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-4.8	177.3	-167.2	0	0	0	0	114.5	V529 N530	V529-S533 PolarHBondContact O-N 3.39Å; N530-S533 PolarHBondContact O-N 3.24Å
534	V	35.9	Very low	42.5	Very low	117 Å²	117	113.5 Å²	113.5	71%	0.709	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-2.7	-178.3	176.7	0	0	0	0	111.9	N530 L532	N530-V534 WeakPolarHBondContact O-CG2 3.29Å; L532-V534 PolarHBondContact O-N 3.18Å; L532-V534 VanDerWaalsContact O-N 3.13Å
535	K	32.9	Very low	40.4	Very low	180 Å²	180	117.3 Å²	117.3	78%	0.783	65%	0.651	S	S	*	*			trans	-103.7	35.2	-178.1	-67.1	-163.9	174.9	-168.4	0	114.7	L532	L532-K535 PolarHBondContact O-N 3.09Å
536	S	37.7	Very low	38.1	Very low	99 Å²	99	122.7 Å²	122.7	69%	0.692	68%	0.68	S	S	*	*			trans	-93.7	103.2	160.9	55.5	0	0	0	0	109
537	E	30.2	Very low	36.6	Very low	178 Å²	178	131.8 Å²	131.8	83%	0.832	71%	0.707	S	S	*	*			trans	-63.2	140.6	171.5	-69.1	179.8	114.4	0	0	110.3	L539	E537-L539 PolarHBondContact O-N 2.98Å
538	P	32.6	Very low	35.4	Very low	129 Å²	129	128 Å²	128	84%	0.838	70%	0.704	S	S	*	*			trans	-76.2	88.8	-179.1	31.3	-34.4	0	0	0	110.6	A540	P538-A540 PolarHBondContact O-N 2.97Å
539	L	31.4	Very low	34.4	Very low	159 Å²	159	132 Å²	132	83%	0.832	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.8	161.4	-69.1	176.4	0	0	0	108.6	E537 L541	E537-L539 PolarHBondContact O-N 2.98Å; L539-L541 PolarHBondContact O-N 3.28Å
540	A	31.2	Very low	33.3	Very low	98 Å²	98	138 Å²	138	81%	0.81	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-63	126.8	-172.7	0	0	0	0	0	111.6	P538	P538-A540 PolarHBondContact O-N 2.97Å
541	L	29.4	Very low	32.9	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-73.4	132.8	174	-66.9	171.1	0	0	0	110.1	L539	L539-L541 PolarHBondContact O-N 3.28Å
542	P	29.3	Very low	32.4	Very low	113 Å²	113	140 Å²	140	73%	0.734	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.8	152.7	163.8	-23.2	34.9	0	0	0	111.7
543	N	27.1	Very low	31.9	Very low	124 Å²	124	140.7 Å²	140.7	66%	0.663	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.2	141.2	-176	-165.7	-9.2	0	0	0	111.6	R545	N543-R545 PolarHBondContact O-N 2.7Å
544	V	32.4	Very low	31.6	Very low	138 Å²	138	143.6 Å²	143.6	84%	0.836	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	60.9	-176.5	-166.5	0	0	0	0	110.6
545	R	32.2	Very low	31.5	Very low	206 Å²	206	146.2 Å²	146.2	78%	0.777	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	-17.1	177.3	-82.6	-169.9	165.8	177.9	-4.2	115.6	N543 W547	N543-R545 PolarHBondContact O-N 2.7Å; R545-W547 VanDerWaalsContact C-N 3.35Å; R545-W547 PolarHBondContact O-N 3.24Å
546	D	30.9	Very low	31.5	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	79%	0.786	S	S	*	*			trans	-92.1	7.7	-175.7	-54.7	-34.6	0	0	0	113.7	A548	D546-A548 VanDerWaalsContact C-N 3.25Å; D546-A548 PolarHBondContact O-N 3.17Å
547	W	31.9	Very low	31.3	Very low	250 Å²	250	153 Å²	153	95%	0.947	80%	0.8	S	S	*	*			trans	-90.9	58.7	170.5	-77.7	24.9	0	0	0	110.6	R545	R545-W547 VanDerWaalsContact C-N 3.35Å; R545-W547 PolarHBondContact O-N 3.24Å
548	A	27.9	Very low	31.3	Very low	87 Å²	87	157.3 Å²	157.3	72%	0.719	82%	0.816	S	S	*	*			trans	-67.7	130.4	160.7	0	0	0	0	0	108.5	D546 E550	D546-A548 VanDerWaalsContact C-N 3.25Å; D546-A548 PolarHBondContact O-N 3.17Å; A548-E550 PolarHBondContact O-N 3.42Å
549	I	31.2	Very low	31.2	Very low	163 Å²	163	158.7 Å²	158.7	84%	0.836	82%	0.815	S	S	*	*			trans	-80.5	108.7	-179.5	-59.4	169.9	0	0	0	107.9	D551	I549-D551 PolarHBondContact O-N 3.35Å
550	E	28	Very low	31.2	Very low	187 Å²	187	158.7 Å²	158.7	87%	0.874	81%	0.814	S	S	*	*			trans	-71.9	104.8	163.1	-73.9	-168.4	139.4	0	0	108.7	A548 S552	A548-E550 PolarHBondContact O-N 3.42Å; E550-S552 PolarHBondContact O-N 2.99Å
551	D	32.5	Very low	31.2	Very low	100 Å²	100	162.1 Å²	162.1	54%	0.535	81%	0.814	S	S	.	*			trans	-70.2	122	170.9	-173.4	-0.4	0	0	0	109.1	I549 S553 Q554	I549-D551 PolarHBondContact O-N 3.35Å; D551-S553 PolarHBondContact OD1-N 3.2Å; D551-Q554 PolarHBondContact OD2-NE2 3.49Å; D551-Q554 VanDerWaalsContact OD2-NE2 3.09Å
552	S	31	Very low	31.3	Very low	111 Å²	111	162.1 Å²	162.1	78%	0.776	81%	0.812	S	S	*	*			trans	-151.9	54.6	173.7	-77.7	0	0	0	0	109.7	E550	E550-S552 PolarHBondContact O-N 2.99Å
553	S	32.8	Very low	31.5	Very low	116 Å²	116	165.1 Å²	165.1	81%	0.811	82%	0.817	S	S	*	*			trans	-137.3	27.1	169.4	-68.2	0	0	0	0	113.7	D551	D551-S553 PolarHBondContact OD1-N 3.2Å
554	Q	36	Very low	31.8	Very low	158 Å²	158	167.9 Å²	167.9	74%	0.738	83%	0.827	S	S	*	*			trans	-128.9	62.2	176.8	-68.3	-169.7	64.5	0	0	113.8	D551	D551-Q554 PolarHBondContact OD2-NE2 3.49Å; D551-Q554 VanDerWaalsContact OD2-NE2 3.09Å
555	E	33.1	Very low	31.7	Very low	171 Å²	171	170 Å²	170	80%	0.799	83%	0.826	S	S	*	*	S	Bend	trans	-152.7	45	165.7	-96.8	-64.2	104.3	0	0	110.5
556	L	33.1	Very low	31.7	Very low	165 Å²	165	167.2 Å²	167.2	86%	0.864	83%	0.83	S	S	*	*	S	Bend	trans	-140	11.7	176.8	-98.9	177.3	0	0	0	114.7
557	W	33.7	Very low	31.7	Very low	257 Å²	257	169.4 Å²	169.4	97%	0.973	84%	0.836	S	S	*	*			trans	-139.7	68.5	176.6	-85.3	77.6	0	0	0	110.9
558	K	29.8	Very low	31.7	Very low	268 Å²	268	162.1 Å²	162.1	100%	1.165	83%	0.826	S	S	*	*			trans	-153.5	0	164.6	-104.5	172.8	-171.7	166.3	0	109.7

Retrieved 558 of 558 residues in 1044.5 ms (Link to these results)

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