A0A5K4FB94_SCHMA Loading...

LTD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 794 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	52.9	Low	57.9	Low	193 Å²	193	116.6 Å²	116.6	95%	0.951	59%	0.59	S	S	*	*				0	-19.2	0	-98.3	174.2	-88.1	0	0	111.9	S3 V4	M1-S3 PolarHBondContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 2.93Å
2	E	54.6	Low	59	Low	145 Å²	145	110 Å²	110	68%	0.678	57%	0.572	S	S	*	*	H	α-helix	trans	-71.2	-29.3	-163.2	-68	88.6	145.2	0	0	115	V4 L5 S6	E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.34Å; E2-L5 CarbonylContact O-C 3.58Å; E2-L5 WeakPolarHBondContact O-CA 3.39Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.1Å; E2-S6 PolarHBondContact O-N 3.44Å; E2-S6 PolarHBondContact O-OG 3.44Å
3	S	51.5	Low	59.6	Low	75 Å²	75	111.2 Å²	111.2	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-39.3	177.3	58.4	0	0	0	0	112.4	M1 L5 S6 E7	M1-S3 PolarHBondContact O-N 3.11Å; S3-L5 PolarHBondContact O-N 3.37Å; S3-S6 WeakPolarHBondContact CA-OG 3.47Å; S3-S6 PolarHBondContact O-N 2.89Å; S3-S6 PolarHBondContact O-OG 3.4Å; S3-E7 WeakPolarHBondContact O-CG 3.46Å; S3-E7 PolarHBondContact O-N 2.86Å; S3-E7 VanDerWaalsContact O-N 3.11Å
4	V	52.7	Low	60.2	Low	88 Å²	88	111.3 Å²	111.3	53%	0.533	57%	0.57	S	S	.	*	H	α-helix	trans	-64.6	-29.6	174.3	-177.8	0	0	0	0	111.3	M1 E2 L8	M1-V4 PolarHBondContact O-N 2.93Å; E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.34Å; V4-L8 HydrophobicContact CG1-CD1 4.07Å; V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.43Å; V4-L8 WeakPolarHBondContact O-CG 3.27Å; V4-L8 PolarHBondContact O-N 2.98Å; V4-L8 VanDerWaalsContact O-N 3.1Å
5	L	56.7	Low	60.8	Low	111 Å²	111	110.6 Å²	110.6	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-84.4	-29	180	-69	168.5	0	0	0	113.4	E2 S3 R9	E2-L5 CarbonylContact O-C 3.58Å; E2-L5 WeakPolarHBondContact O-CA 3.39Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.1Å; S3-L5 PolarHBondContact O-N 3.37Å; L5-R9 PolarHBondContact O-N 3.41Å
6	S	57.6	Low	61.1	Low	48 Å²	48	107.3 Å²	107.3	34%	0.336	56%	0.561	S	S	.	*	H	α-helix	trans	-68.9	-48.2	168.9	42.4	0	0	0	0	111.2	E2 S3 L8 R9 E10	E2-S6 PolarHBondContact O-N 3.44Å; E2-S6 PolarHBondContact O-OG 3.44Å; S3-S6 WeakPolarHBondContact CA-OG 3.47Å; S3-S6 PolarHBondContact O-N 2.89Å; S3-S6 PolarHBondContact O-OG 3.4Å; S6-L8 PolarHBondContact O-N 3.21Å; S6-R9 PolarHBondContact O-N 3.49Å; S6-E10 PolarHBondContact O-N 3.35Å; S6-E10 VanDerWaalsContact O-N 3.07Å
7	E	55.9	Low	61.5	Low	129 Å²	129	105.5 Å²	105.5	60%	0.603	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-38.6	-178.4	-70.1	169.2	-162	0	0	111.7	S3 R9 E10 L11	S3-E7 WeakPolarHBondContact O-CG 3.46Å; S3-E7 PolarHBondContact O-N 2.86Å; S3-E7 VanDerWaalsContact O-N 3.11Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.39Å; E7-E10 PolarHBondContact O-N 3.4Å; E7-L11 VanDerWaalsContact O-CB 3.22Å; E7-L11 WeakPolarHBondContact O-CB 3.39Å; E7-L11 PolarHBondContact O-N 3.47Å
8	L	60.1	Low	61.8	Low	102 Å²	102	109.3 Å²	109.3	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-32.7	174	-90.4	167.3	0	0	0	113.9	V4 S6 G12	V4-L8 HydrophobicContact CG1-CD1 4.07Å; V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.43Å; V4-L8 WeakPolarHBondContact O-CG 3.27Å; V4-L8 PolarHBondContact O-N 2.98Å; V4-L8 VanDerWaalsContact O-N 3.1Å; S6-L8 PolarHBondContact O-N 3.21Å; L8-G12 PolarHBondContact O-N 2.92Å
9	R	65	Low	62	Low	165 Å²	165	108.1 Å²	108.1	62%	0.623	56%	0.557	S	S	*	*	H	α-helix	trans	-72.2	-44.6	176.1	176.2	175.1	55.6	-157.4	-6.7	111.1	L5 S6 E7 G12 E13	L5-R9 PolarHBondContact O-N 3.41Å; S6-R9 PolarHBondContact O-N 3.49Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.39Å; R9-G12 WeakPolarHBondContact O-CA 3.13Å; R9-G12 PolarHBondContact O-N 3.33Å; R9-G12 VanDerWaalsContact O-N 3.12Å; R9-E13 PolarHBondContact O-N 3.42Å
10	E	63	Low	61.9	Low	114 Å²	114	109.5 Å²	109.5	53%	0.533	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-40.1	177.9	-168.1	165.5	-168.9	0	0	111.5	S6 E7 G12 E13 Q14	S6-E10 PolarHBondContact O-N 3.35Å; S6-E10 VanDerWaalsContact O-N 3.07Å; E7-E10 PolarHBondContact O-N 3.4Å; E10-G12 VanDerWaalsContact C-N 3.31Å; E10-G12 PolarHBondContact O-N 2.91Å; E10-E13 PolarHBondContact O-N 2.9Å; E10-Q14 WeakPolarHBondContact O-CB 3.26Å; E10-Q14 VanDerWaalsContact O-CG 3.32Å; E10-Q14 WeakPolarHBondContact O-CG 3.22Å; E10-Q14 PolarHBondContact O-N 3.07Å
11	L	67.4	Low	61.7	Low	113 Å²	113	109.9 Å²	109.9	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-61.5	-38.3	169.9	-165.1	77	0	0	0	111.8	E7 L15	E7-L11 VanDerWaalsContact O-CB 3.22Å; E7-L11 WeakPolarHBondContact O-CB 3.39Å; E7-L11 PolarHBondContact O-N 3.47Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 2.99Å
12	G	70.6	Confident	61.9	Low	37 Å²	37	105 Å²	105	38%	0.381	54%	0.541	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.7	0	0	0	0	0	113.6	L8 R9 E10 L15 A16	L8-G12 PolarHBondContact O-N 2.92Å; R9-G12 WeakPolarHBondContact O-CA 3.13Å; R9-G12 PolarHBondContact O-N 3.33Å; R9-G12 VanDerWaalsContact O-N 3.12Å; E10-G12 VanDerWaalsContact C-N 3.31Å; E10-G12 PolarHBondContact O-N 2.91Å; G12-L15 PolarHBondContact O-N 2.94Å; G12-A16 WeakPolarHBondContact O-CB 3.32Å; G12-A16 PolarHBondContact O-N 3.45Å
13	E	66.6	Low	62	Low	126 Å²	126	105.5 Å²	105.5	59%	0.589	54%	0.541	S	S	*	.	H	α-helix	trans	-72.2	-39.8	178.1	-72.4	175.8	174.3	0	0	111.8	R9 E10 A16 T17	R9-E13 PolarHBondContact O-N 3.42Å; E10-E13 PolarHBondContact O-N 2.9Å; E13-A16 PolarHBondContact O-N 3.35Å; E13-T17 PolarHBondContact O-N 3.48Å; E13-T17 PolarHBondContact O-OG1 3.42Å
14	Q	68.5	Low	62.1	Low	112 Å²	112	108.4 Å²	108.4	52%	0.523	55%	0.55	S	S	.	.	H	α-helix	trans	-63.7	-40.3	171.5	-71.2	-176.1	19.5	0	0	111.9	E10 T17 Y18	E10-Q14 WeakPolarHBondContact O-CB 3.26Å; E10-Q14 VanDerWaalsContact O-CG 3.32Å; E10-Q14 WeakPolarHBondContact O-CG 3.22Å; E10-Q14 PolarHBondContact O-N 3.07Å; Q14-T17 PolarHBondContact O-N 3.45Å; Q14-Y18 PolarHBondContact O-N 3.12Å
15	L	69.6	Low	62	Low	101 Å²	101	111.2 Å²	111.2	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-40	175.1	-177.3	63.8	0	0	0	111.9	L11 G12 T17 Y18 I19	L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 2.99Å; G12-L15 PolarHBondContact O-N 2.94Å; L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 2.89Å; L15-Y18 PolarHBondContact O-N 3.23Å; L15-I19 HydrophobicContact CD1-CD1 4.02Å; L15-I19 HydrophobicContact CD1-CG1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.87Å; L15-I19 WeakPolarHBondContact O-CB 3.4Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 2.9Å
16	A	65.3	Low	61.7	Low	57 Å²	57	114 Å²	114	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-61.5	-41.9	174.3	0	0	0	0	0	111.7	G12 E13 I19 Q20	G12-A16 WeakPolarHBondContact O-CB 3.32Å; G12-A16 PolarHBondContact O-N 3.45Å; E13-A16 PolarHBondContact O-N 3.35Å; A16-I19 PolarHBondContact O-N 3.46Å; A16-Q20 PolarHBondContact O-N 3.4Å
17	T	68.1	Low	61.3	Low	77 Å²	77	118.1 Å²	118.1	47%	0.472	59%	0.587	S	S	.	*	H	α-helix	trans	-65.2	-45.3	176.9	-51.4	0	0	0	0	111.4	E13 Q14 L15 I19 Q20 H21	E13-T17 PolarHBondContact O-N 3.48Å; E13-T17 PolarHBondContact O-OG1 3.42Å; Q14-T17 PolarHBondContact O-N 3.45Å; L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 2.89Å; T17-I19 VanDerWaalsContact C-N 3.35Å; T17-I19 PolarHBondContact O-N 3.01Å; T17-Q20 PolarHBondContact O-N 2.92Å; T17-H21 PolarHBondContact O-N 3.34Å
18	Y	66.9	Low	61.1	Low	174 Å²	174	120.7 Å²	120.7	68%	0.682	60%	0.598	S	S	*	*	H	α-helix	trans	-59.9	-42.2	173.8	-107.5	-85.3	0	0	0	112.1	Q14 L15 H21 V22	Q14-Y18 PolarHBondContact O-N 3.12Å; L15-Y18 PolarHBondContact O-N 3.23Å; Y18-H21 PolarHBondContact O-N 2.97Å; Y18-V22 WeakPolarHBondContact O-CB 3.28Å; Y18-V22 VanDerWaalsContact O-CG2 3.28Å; Y18-V22 WeakPolarHBondContact O-CG2 3.4Å; Y18-V22 PolarHBondContact O-N 3.28Å
19	I	64.1	Low	60.7	Low	86 Å²	86	123.6 Å²	123.6	44%	0.441	61%	0.609	S	S	.	*	H	α-helix	trans	-68.9	-34	178.5	-70.9	170.5	0	0	0	111.7	L15 A16 T17 K23	L15-I19 HydrophobicContact CD1-CD1 4.02Å; L15-I19 HydrophobicContact CD1-CG1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.87Å; L15-I19 WeakPolarHBondContact O-CB 3.4Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 2.9Å; A16-I19 PolarHBondContact O-N 3.46Å; T17-I19 VanDerWaalsContact C-N 3.35Å; T17-I19 PolarHBondContact O-N 3.01Å; I19-K23 HydrophobicContact CG2-CD 4.41Å; I19-K23 WeakPolarHBondContact O-CB 3.35Å; I19-K23 WeakPolarHBondContact O-CG 3.42Å; I19-K23 PolarHBondContact O-N 3.27Å
20	Q	61.4	Low	60.2	Low	136 Å²	136	121.6 Å²	121.6	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-46.3	171.9	-102	-175.1	-23.7	0	0	112	A16 T17 V22 K23 L24	A16-Q20 PolarHBondContact O-N 3.4Å; T17-Q20 PolarHBondContact O-N 2.92Å; Q20-V22 PolarHBondContact O-N 2.84Å; Q20-K23 PolarHBondContact O-N 3.01Å; Q20-L24 PolarHBondContact O-N 3.29Å
21	H	57.4	Low	59.9	Low	118 Å²	118	120.7 Å²	120.7	55%	0.546	61%	0.613	S	S	.	*	H	α-helix	trans	-60.3	-43.7	174.9	-88.4	-116.7	0	0	0	112.2	T17 Y18 K23 L24 L25	T17-H21 PolarHBondContact O-N 3.34Å; Y18-H21 PolarHBondContact O-N 2.97Å; H21-K23 VanDerWaalsContact C-N 3.32Å; H21-K23 PolarHBondContact O-N 2.99Å; H21-L24 PolarHBondContact O-N 3.4Å; H21-L25 WeakPolarHBondContact O-CB 3.4Å; H21-L25 WeakPolarHBondContact O-CG 3.38Å; H21-L25 PolarHBondContact O-N 3.14Å
22	V	57.9	Low	59.6	Low	90 Å²	90	118.2 Å²	118.2	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-68.4	-27.5	177.7	170.3	0	0	0	0	112.8	Y18 Q20	Y18-V22 WeakPolarHBondContact O-CB 3.28Å; Y18-V22 VanDerWaalsContact O-CG2 3.28Å; Y18-V22 WeakPolarHBondContact O-CG2 3.4Å; Y18-V22 PolarHBondContact O-N 3.28Å; Q20-V22 PolarHBondContact O-N 2.84Å
23	K	55.9	Low	59.2	Low	157 Å²	157	119.8 Å²	119.8	68%	0.683	61%	0.61	S	S	*	*	H	α-helix	trans	-76.4	-31.5	172.6	-82.8	-176.5	173.9	-178	0	113.6	I19 Q20 H21	I19-K23 HydrophobicContact CG2-CD 4.41Å; I19-K23 WeakPolarHBondContact O-CB 3.35Å; I19-K23 WeakPolarHBondContact O-CG 3.42Å; I19-K23 PolarHBondContact O-N 3.27Å; Q20-K23 PolarHBondContact O-N 3.01Å; H21-K23 VanDerWaalsContact C-N 3.32Å; H21-K23 PolarHBondContact O-N 2.99Å
24	L	54.2	Low	59.1	Low	135 Å²	135	119 Å²	119	71%	0.707	61%	0.609	S	S	*	*	H	α-helix	trans	-73.3	-39.1	173.7	-81.8	159.7	0	0	0	111.8	Q20 H21 K26	Q20-L24 PolarHBondContact O-N 3.29Å; H21-L24 PolarHBondContact O-N 3.4Å; L24-K26 VanDerWaalsContact C-N 3.28Å; L24-K26 PolarHBondContact O-N 2.94Å; L24-K26 VanDerWaalsContact O-N 3.14Å
25	L	50	Low	59.2	Low	147 Å²	147	120.8 Å²	120.8	77%	0.77	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	21.6	-174.6	-69.4	168.4	0	0	0	115.6	H21	H21-L25 WeakPolarHBondContact O-CB 3.4Å; H21-L25 WeakPolarHBondContact O-CG 3.38Å; H21-L25 PolarHBondContact O-N 3.14Å
26	K	50.2	Low	59.5	Low	171 Å²	171	123.4 Å²	123.4	74%	0.743	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-3.2	-172.8	-162.6	163.1	-179.8	-179.8	0	117.5	L24	L24-K26 VanDerWaalsContact C-N 3.28Å; L24-K26 PolarHBondContact O-N 2.94Å; L24-K26 VanDerWaalsContact O-N 3.14Å
27	N	49.9	Very low	59.6	Low	134 Å²	134	123.1 Å²	123.1	72%	0.717	62%	0.62	S	S	*	*	S	Bend	trans	-111.9	153.5	178.3	-68.8	-6.2	0	0	0	111.9	E29	N27-E29 PolarHBondContact O-N 3.03Å
28	E	50.4	Low	59.8	Low	182 Å²	182	123.2 Å²	123.2	85%	0.85	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	2.9	-147	-59.5	178	112.1	0	0	117.1
29	E	52.6	Low	60.3	Low	163 Å²	163	121.4 Å²	121.4	76%	0.762	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-33.5	-166.5	-69.1	-176.5	105.5	0	0	115.1	N27 V31 S32	N27-E29 PolarHBondContact O-N 3.03Å; E29-V31 VanDerWaalsContact C-N 3.27Å; E29-V31 PolarHBondContact O-N 3.24Å; E29-S32 WeakPolarHBondContact O-CB 3.5Å; E29-S32 PolarHBondContact O-N 2.93Å; E29-S32 PolarHBondContact O-OG 3.16Å
30	D	53.8	Low	61	Low	123 Å²	123	120.2 Å²	120.2	66%	0.658	61%	0.612	S	S	*	*	H	α-helix	trans	-63.2	-29.9	-176.3	-85.5	-32.6	0	0	0	113.7	S32 S33 L34	D30-S32 PolarHBondContact O-N 3.5Å; D30-S33 PolarHBondContact O-N 3.02Å; D30-S33 VanDerWaalsContact O-N 3.16Å; D30-L34 PolarHBondContact O-N 3.49Å
31	V	57.5	Low	61.7	Low	96 Å²	96	119 Å²	119	58%	0.582	61%	0.609	S	S	*	*	H	α-helix	trans	-63.6	-28.1	176.3	-179.1	0	0	0	0	111.2	E29 K35	E29-V31 VanDerWaalsContact C-N 3.27Å; E29-V31 PolarHBondContact O-N 3.24Å; V31-K35 WeakPolarHBondContact O-CB 3.37Å; V31-K35 WeakPolarHBondContact O-CG 3.35Å; V31-K35 PolarHBondContact O-N 3Å
32	S	61.1	Low	62.8	Low	61 Å²	61	118.1 Å²	118.1	43%	0.427	61%	0.606	S	S	.	*	H	α-helix	trans	-73.2	-38.6	175.4	81.9	0	0	0	0	112.2	E29 D30 K35 K36	E29-S32 WeakPolarHBondContact O-CB 3.5Å; E29-S32 PolarHBondContact O-N 2.93Å; E29-S32 PolarHBondContact O-OG 3.16Å; D30-S32 PolarHBondContact O-N 3.5Å; S32-K35 PolarHBondContact O-N 3.34Å; S32-K36 WeakPolarHBondContact O-CG 3.34Å; S32-K36 PolarHBondContact O-N 3.45Å
33	S	61.8	Low	64	Low	69 Å²	69	117.5 Å²	117.5	48%	0.483	60%	0.599	S	S	.	*	H	α-helix	trans	-67.8	-44.7	175.7	-64.5	0	0	0	0	111.3	D30 K35 K36 A37	D30-S33 PolarHBondContact O-N 3.02Å; D30-S33 VanDerWaalsContact O-N 3.16Å; S33-K35 PolarHBondContact O-N 3.27Å; S33-K36 PolarHBondContact O-N 3.27Å; S33-A37 PolarHBondContact O-N 2.71Å
34	L	65.2	Low	65.2	Low	109 Å²	109	113.8 Å²	113.8	57%	0.571	59%	0.587	S	S	*	*	H	α-helix	trans	-63.6	-41.2	175.2	-175.8	60.9	0	0	0	111.7	D30 K36 A37 I38	D30-L34 PolarHBondContact O-N 3.49Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3Å; L34-A37 PolarHBondContact O-N 2.9Å; L34-I38 HydrophobicContact CD1-CD1 4.2Å; L34-I38 HydrophobicContact CD1-CG1 4.36Å; L34-I38 HydrophobicContact CG-CD1 3.93Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 2.75Å
35	K	70.7	Confident	66.5	Low	150 Å²	150	112.9 Å²	112.9	65%	0.652	58%	0.582	S	S	*	*	H	α-helix	trans	-60.3	-40.6	172.6	-89.1	-174.4	172.3	179.9	0	112.7	V31 S32 S33 F39	V31-K35 WeakPolarHBondContact O-CB 3.37Å; V31-K35 WeakPolarHBondContact O-CG 3.35Å; V31-K35 PolarHBondContact O-N 3Å; S32-K35 PolarHBondContact O-N 3.34Å; S33-K35 PolarHBondContact O-N 3.27Å; K35-F39 VanDerWaalsContact O-CB 3.27Å; K35-F39 WeakPolarHBondContact O-CB 3.4Å; K35-F39 PolarHBondContact O-N 2.81Å
36	K	74.2	Confident	68.1	Low	157 Å²	157	112.1 Å²	112.1	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-64.2	-42.1	174.9	-76.9	173.9	178.3	172.1	0	112.1	S32 S33 L34 F39 S40	S32-K36 WeakPolarHBondContact O-CG 3.34Å; S32-K36 PolarHBondContact O-N 3.45Å; S33-K36 PolarHBondContact O-N 3.27Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3Å; K36-F39 PolarHBondContact O-N 3.35Å; K36-S40 PolarHBondContact O-N 3.02Å
37	A	69	Low	69.7	Low	50 Å²	50	108.7 Å²	108.7	41%	0.413	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-44.1	177.4	0	0	0	0	0	112.2	S33 L34 S40 L41	S33-A37 PolarHBondContact O-N 2.71Å; L34-A37 PolarHBondContact O-N 2.9Å; A37-S40 PolarHBondContact O-N 2.96Å; A37-L41 PolarHBondContact O-N 3.21Å
38	I	70.9	Confident	71.4	Confident	79 Å²	79	106.4 Å²	106.4	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-47.2	174.1	-68.8	168.6	0	0	0	110.4	L34 S40 L41 E42	L34-I38 HydrophobicContact CD1-CD1 4.2Å; L34-I38 HydrophobicContact CD1-CG1 4.36Å; L34-I38 HydrophobicContact CG-CD1 3.93Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 2.75Å; I38-S40 VanDerWaalsContact C-N 3.29Å; I38-S40 PolarHBondContact O-N 3.42Å; I38-L41 CarbonylContact O-C 3.58Å; I38-L41 PolarHBondContact O-N 3.35Å; I38-L41 VanDerWaalsContact O-N 3.13Å; I38-E42 HydrophobicContact CG2-CG 4.28Å; I38-E42 WeakPolarHBondContact O-CG 3.27Å; I38-E42 PolarHBondContact O-N 3.02Å
39	F	79.1	Confident	73	Confident	137 Å²	137	105.4 Å²	105.4	60%	0.601	54%	0.538	S	S	*	.	H	α-helix	trans	-64.6	-32.2	179.3	-164.3	-93.6	0	0	0	112.6	K35 K36 N43	K35-F39 VanDerWaalsContact O-CB 3.27Å; K35-F39 WeakPolarHBondContact O-CB 3.4Å; K35-F39 PolarHBondContact O-N 2.81Å; K36-F39 PolarHBondContact O-N 3.35Å; F39-N43 VanDerWaalsContact O-CB 3.28Å; F39-N43 WeakPolarHBondContact O-CB 3.28Å; F39-N43 PolarHBondContact O-N 2.91Å
40	S	77.6	Confident	74.5	Confident	61 Å²	61	101.3 Å²	101.3	43%	0.427	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-51.6	169.6	-163.2	0	0	0	0	110.7	K36 A37 I38 E42 N43 D44	K36-S40 PolarHBondContact O-N 3.02Å; A37-S40 PolarHBondContact O-N 2.96Å; I38-S40 VanDerWaalsContact C-N 3.29Å; I38-S40 PolarHBondContact O-N 3.42Å; S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 2.85Å; S40-N43 CarbonylContact O-C 3.57Å; S40-N43 WeakPolarHBondContact O-CA 3.46Å; S40-N43 WeakPolarHBondContact O-CB 3.4Å; S40-N43 PolarHBondContact O-N 2.76Å; S40-D44 VanDerWaalsContact O-CG 3.23Å; S40-D44 PolarHBondContact O-N 3.31Å; S40-D44 VanDerWaalsContact O-OD2 3.11Å; S40-D44 PolarHBondContact OG-OD2 2.9Å
41	L	77.6	Confident	76.1	Confident	110 Å²	110	97.8 Å²	97.8	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-35.9	178.4	-80.8	163.9	0	0	0	113.3	A37 I38 N43 L45	A37-L41 PolarHBondContact O-N 3.21Å; I38-L41 CarbonylContact O-C 3.58Å; I38-L41 PolarHBondContact O-N 3.35Å; I38-L41 VanDerWaalsContact O-N 3.13Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-L45 VanDerWaalsContact O-CB 3.26Å; L41-L45 WeakPolarHBondContact O-CB 3.16Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.13Å
42	E	80.5	Confident	77.6	Confident	100 Å²	100	99.3 Å²	99.3	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-36.5	171.5	-74.2	-179.2	162.5	0	0	112	I38 S40 K46	I38-E42 HydrophobicContact CG2-CG 4.28Å; I38-E42 WeakPolarHBondContact O-CG 3.27Å; I38-E42 PolarHBondContact O-N 3.02Å; S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 2.85Å; E42-K46 WeakPolarHBondContact O-CB 3.44Å; E42-K46 WeakPolarHBondContact O-CG 3.47Å; E42-K46 PolarHBondContact O-N 2.86Å
43	N	81.5	Confident	78.9	Confident	77 Å²	77	100 Å²	100	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-75.6	-37.1	177.5	-162.5	63	0	0	0	111.8	F39 S40 L41 K46 L47	F39-N43 VanDerWaalsContact O-CB 3.28Å; F39-N43 WeakPolarHBondContact O-CB 3.28Å; F39-N43 PolarHBondContact O-N 2.91Å; S40-N43 CarbonylContact O-C 3.57Å; S40-N43 WeakPolarHBondContact O-CA 3.46Å; S40-N43 WeakPolarHBondContact O-CB 3.4Å; S40-N43 PolarHBondContact O-N 2.76Å; L41-N43 VanDerWaalsContact C-N 3.34Å; N43-K46 WeakPolarHBondContact O-CB 3.45Å; N43-K46 PolarHBondContact O-N 3.47Å; N43-L47 WeakPolarHBondContact O-CB 3.26Å; N43-L47 WeakPolarHBondContact O-CG 3.47Å; N43-L47 PolarHBondContact O-N 3.11Å
44	D	82.4	Confident	80.1	Confident	79 Å²	79	100.7 Å²	100.7	42%	0.422	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-39.6	173.3	-64.4	-36.6	0	0	0	111	S40 L47 L48	S40-D44 VanDerWaalsContact O-CG 3.23Å; S40-D44 PolarHBondContact O-N 3.31Å; S40-D44 VanDerWaalsContact O-OD2 3.11Å; S40-D44 PolarHBondContact OG-OD2 2.9Å; D44-L47 PolarHBondContact O-N 2.82Å; D44-L48 VanDerWaalsContact O-CB 3.25Å; D44-L48 WeakPolarHBondContact O-CB 3.44Å; D44-L48 PolarHBondContact O-N 2.95Å
45	L	80.3	Confident	81.2	Confident	116 Å²	116	100.8 Å²	100.8	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-36.6	170.1	-84.7	167.7	0	0	0	112.5	L41 R49	L41-L45 VanDerWaalsContact O-CB 3.26Å; L41-L45 WeakPolarHBondContact O-CB 3.16Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.13Å; L45-R49 WeakPolarHBondContact O-CB 3.48Å; L45-R49 PolarHBondContact O-N 2.76Å
46	K	83.4	Confident	82	Confident	131 Å²	131	98.7 Å²	98.7	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-46.2	171	-83.6	173	178.1	169.1	0	111.6	E42 N43 R49 T50	E42-K46 WeakPolarHBondContact O-CB 3.44Å; E42-K46 WeakPolarHBondContact O-CG 3.47Å; E42-K46 PolarHBondContact O-N 2.86Å; N43-K46 WeakPolarHBondContact O-CB 3.45Å; N43-K46 PolarHBondContact O-N 3.47Å; K46-R49 PolarHBondContact O-N 2.99Å; K46-T50 WeakPolarHBondContact O-CG2 3.34Å; K46-T50 PolarHBondContact O-N 3.34Å; K46-T50 PolarHBondContact O-OG1 2.83Å; K46-T50 VanDerWaalsContact O-OG1 3.11Å
47	L	84.4	Confident	82.7	Confident	99 Å²	99	96.1 Å²	96.1	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-47.4	177.8	-76	168	0	0	0	111.1	N43 D44 R49 T50 A51	N43-L47 WeakPolarHBondContact O-CB 3.26Å; N43-L47 WeakPolarHBondContact O-CG 3.47Å; N43-L47 PolarHBondContact O-N 3.11Å; D44-L47 PolarHBondContact O-N 2.82Å; L47-R49 PolarHBondContact O-N 3.43Å; L47-T50 WeakPolarHBondContact CA-OG1 3.44Å; L47-T50 PolarHBondContact O-N 2.87Å; L47-T50 PolarHBondContact O-OG1 3.28Å; L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 2.82Å
48	L	85.5	Confident	83.7	Confident	86 Å²	86	99.7 Å²	99.7	45%	0.45	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-40.9	175.7	-174.8	63.5	0	0	0	111.8	D44 A51 Y52	D44-L48 VanDerWaalsContact O-CB 3.25Å; D44-L48 WeakPolarHBondContact O-CB 3.44Å; D44-L48 PolarHBondContact O-N 2.95Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-Y52 HydrophobicContact CD1-CD2 4.03Å; L48-Y52 HydrophobicContact CD1-CE2 3.54Å; L48-Y52 HydrophobicContact CD2-CE2 4.18Å; L48-Y52 HydrophobicContact CG-CD2 3.91Å; L48-Y52 HydrophobicContact CG-CE2 3.65Å; L48-Y52 VanDerWaalsContact O-CD2 3.29Å; L48-Y52 WeakPolarHBondContact O-CD2 3.25Å; L48-Y52 PolarHBondContact O-N 3.45Å
49	R	85.1	Confident	84.6	Confident	161 Å²	161	101.4 Å²	101.4	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-48.1	172.9	177.3	177.9	171.1	160.1	4.3	111.5	L45 K46 L47 A51 Y52 E53	L45-R49 WeakPolarHBondContact O-CB 3.48Å; L45-R49 PolarHBondContact O-N 2.76Å; K46-R49 PolarHBondContact O-N 2.99Å; L47-R49 PolarHBondContact O-N 3.43Å; R49-A51 VanDerWaalsContact C-N 3.28Å; R49-A51 PolarHBondContact O-N 2.78Å; R49-Y52 PolarHBondContact O-N 3.41Å; R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 IonicContact CZ-OE1 3.19Å; R49-E53 IonicContact NE-OE1 3.22Å; R49-E53 PolarHBondContact NE-OE1 3.26Å; R49-E53 IonicContact NE-OE2 2.76Å; R49-E53 IonicContact NH2-OE1 2.75Å; R49-E53 PolarHBondContact NH2-OE1 3.4Å; R49-E53 WeakPolarHBondContact O-CB 3.16Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.16Å
50	T	83.5	Confident	85.1	Confident	77 Å²	77	97.6 Å²	97.6	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-29.5	178	53	0	0	0	0	112.5	K46 L47 C54	K46-T50 WeakPolarHBondContact O-CG2 3.34Å; K46-T50 PolarHBondContact O-N 3.34Å; K46-T50 PolarHBondContact O-OG1 2.83Å; K46-T50 VanDerWaalsContact O-OG1 3.11Å; L47-T50 WeakPolarHBondContact CA-OG1 3.44Å; L47-T50 PolarHBondContact O-N 2.87Å; L47-T50 PolarHBondContact O-OG1 3.28Å; T50-C54 WeakPolarHBondContact O-CB 3.21Å; T50-C54 PolarHBondContact O-N 3.23Å
51	A	85.9	Confident	85.7	Confident	48 Å²	48	98.5 Å²	98.5	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-43.4	171.7	0	0	0	0	0	111.4	L47 L48 R49 C54 Q55	L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 2.82Å; L48-A51 PolarHBondContact O-N 3.46Å; R49-A51 VanDerWaalsContact C-N 3.28Å; R49-A51 PolarHBondContact O-N 2.78Å; A51-C54 PolarHBondContact O-N 2.92Å; A51-Q55 WeakPolarHBondContact O-CG 3.45Å; A51-Q55 PolarHBondContact O-N 3.35Å
52	Y	90.9	Very high	86.3	Confident	129 Å²	129	96 Å²	96	51%	0.506	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-39.5	174.2	-76.4	-52.6	0	0	0	113.1	L48 R49 C54 Q55 I56	L48-Y52 HydrophobicContact CD1-CD2 4.03Å; L48-Y52 HydrophobicContact CD1-CE2 3.54Å; L48-Y52 HydrophobicContact CD2-CE2 4.18Å; L48-Y52 HydrophobicContact CG-CD2 3.91Å; L48-Y52 HydrophobicContact CG-CE2 3.65Å; L48-Y52 VanDerWaalsContact O-CD2 3.29Å; L48-Y52 WeakPolarHBondContact O-CD2 3.25Å; L48-Y52 PolarHBondContact O-N 3.45Å; R49-Y52 PolarHBondContact O-N 3.41Å; Y52-C54 VanDerWaalsContact C-N 3.29Å; Y52-C54 PolarHBondContact O-N 3.41Å; Y52-Q55 PolarHBondContact O-N 2.86Å; Y52-I56 WeakPolarHBondContact O-CB 3.36Å; Y52-I56 WeakPolarHBondContact O-CD1 3.12Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.25Å
53	E	88.2	Confident	86.9	Confident	76 Å²	76	96.1 Å²	96.1	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-37.4	172.1	-75.4	173	166.6	0	0	110.8	R49 N57	R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 IonicContact CZ-OE1 3.19Å; R49-E53 IonicContact NE-OE1 3.22Å; R49-E53 PolarHBondContact NE-OE1 3.26Å; R49-E53 IonicContact NE-OE2 2.76Å; R49-E53 IonicContact NH2-OE1 2.75Å; R49-E53 PolarHBondContact NH2-OE1 3.4Å; R49-E53 WeakPolarHBondContact O-CB 3.16Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.16Å; E53-N57 VanDerWaalsContact O-CB 3.26Å; E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 PolarHBondContact O-N 2.88Å; E53-N57 PolarHBondContact O-ND2 2.78Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å
54	C	86.7	Confident	87.4	Confident	83 Å²	83	96.5 Å²	96.5	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-64.9	-45.2	171.8	-172.1	0	0	0	0	112.2	T50 A51 Y52 N57 H58	T50-C54 WeakPolarHBondContact O-CB 3.21Å; T50-C54 PolarHBondContact O-N 3.23Å; A51-C54 PolarHBondContact O-N 2.92Å; Y52-C54 VanDerWaalsContact C-N 3.29Å; Y52-C54 PolarHBondContact O-N 3.41Å; C54-N57 PolarHBondContact O-N 3.37Å; C54-H58 VanDerWaalsContact O-CB 3.32Å; C54-H58 WeakPolarHBondContact O-CB 3.23Å; C54-H58 PolarHBondContact O-N 2.95Å
55	Q	88.3	Confident	87.9	Confident	110 Å²	110	96.8 Å²	96.8	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-40.5	175	-76.5	-177.7	-5.7	0	0	112.6	A51 Y52 H58 L59	A51-Q55 WeakPolarHBondContact O-CG 3.45Å; A51-Q55 PolarHBondContact O-N 3.35Å; Y52-Q55 PolarHBondContact O-N 2.86Å; Q55-H58 PolarHBondContact O-N 2.81Å; Q55-L59 VanDerWaalsContact O-CB 3.32Å; Q55-L59 WeakPolarHBondContact O-CB 3.37Å; Q55-L59 VanDerWaalsContact O-CG 3.26Å; Q55-L59 WeakPolarHBondContact O-CG 3.21Å; Q55-L59 PolarHBondContact O-N 3.28Å
56	I	87.5	Confident	88.4	Confident	106 Å²	106	94.8 Å²	94.8	54%	0.544	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-44	176.3	-71.9	164.4	0	0	0	110.2	Y52 L59 S60	Y52-I56 WeakPolarHBondContact O-CB 3.36Å; Y52-I56 WeakPolarHBondContact O-CD1 3.12Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.25Å; I56-L59 PolarHBondContact O-N 2.82Å; I56-S60 WeakPolarHBondContact O-CB 3.49Å; I56-S60 PolarHBondContact O-N 2.91Å
57	N	89.1	Confident	88.9	Confident	104 Å²	104	92.4 Å²	92.4	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-64.5	-39.7	175.4	-72.2	-23.8	0	0	0	111.8	E53 C54 T61	E53-N57 VanDerWaalsContact O-CB 3.26Å; E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 PolarHBondContact O-N 2.88Å; E53-N57 PolarHBondContact O-ND2 2.78Å; E53-N57 VanDerWaalsContact O-ND2 3.16Å; C54-N57 PolarHBondContact O-N 3.37Å; N57-T61 WeakPolarHBondContact O-CB 3.32Å; N57-T61 PolarHBondContact O-N 3.2Å; N57-T61 PolarHBondContact O-OG1 2.83Å
58	H	88.9	Confident	89.4	Confident	125 Å²	125	91.1 Å²	91.1	58%	0.579	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-51.6	174.4	180	53.6	0	0	0	111.5	C54 Q55 S60 T61 T62	C54-H58 VanDerWaalsContact O-CB 3.32Å; C54-H58 WeakPolarHBondContact O-CB 3.23Å; C54-H58 PolarHBondContact O-N 2.95Å; Q55-H58 PolarHBondContact O-N 2.81Å; H58-S60 VanDerWaalsContact C-N 3.32Å; H58-S60 PolarHBondContact O-N 2.81Å; H58-T61 WeakPolarHBondContact O-CB 3.42Å; H58-T61 PolarHBondContact O-N 3.47Å; H58-T61 VanDerWaalsContact O-N 3.11Å; H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.69Å
59	L	90.5	Very high	89.8	Confident	115 Å²	115	92.3 Å²	92.3	60%	0.602	48%	0.483	S	S	*	.	H	α-helix	trans	-59.7	-39.7	176.9	-74.6	168.3	0	0	0	112.4	Q55 I56 T62 L63	Q55-L59 VanDerWaalsContact O-CB 3.32Å; Q55-L59 WeakPolarHBondContact O-CB 3.37Å; Q55-L59 VanDerWaalsContact O-CG 3.26Å; Q55-L59 WeakPolarHBondContact O-CG 3.21Å; Q55-L59 PolarHBondContact O-N 3.28Å; I56-L59 PolarHBondContact O-N 2.82Å; L59-T62 PolarHBondContact O-N 3.45Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 2.68Å
60	S	89.9	Confident	90.2	Very high	57 Å²	57	89.5 Å²	89.5	40%	0.399	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-39.4	175.2	-171.4	0	0	0	0	111.7	I56 H58 L63 N64	I56-S60 WeakPolarHBondContact O-CB 3.49Å; I56-S60 PolarHBondContact O-N 2.91Å; H58-S60 VanDerWaalsContact C-N 3.32Å; H58-S60 PolarHBondContact O-N 2.81Å; S60-L63 PolarHBondContact O-N 2.88Å; S60-N64 WeakPolarHBondContact O-CB 3.26Å; S60-N64 PolarHBondContact O-N 2.91Å; S60-N64 PolarHBondContact O-ND2 3.47Å
61	T	90.1	Very high	90.7	Very high	79 Å²	79	91.6 Å²	91.6	49%	0.485	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-47.5	174	-54.8	0	0	0	0	111.2	N57 H58 L63 N64 I65	N57-T61 WeakPolarHBondContact O-CB 3.32Å; N57-T61 PolarHBondContact O-N 3.2Å; N57-T61 PolarHBondContact O-OG1 2.83Å; H58-T61 WeakPolarHBondContact O-CB 3.42Å; H58-T61 PolarHBondContact O-N 3.47Å; H58-T61 VanDerWaalsContact O-N 3.11Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 2.84Å; T61-N64 PolarHBondContact O-N 2.71Å; T61-I65 HydrophobicContact CG2-CD1 4.14Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.37Å
62	T	90	Very high	91.1	Very high	59 Å²	59	94.2 Å²	94.2	36%	0.362	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-38.9	175.9	-57.6	0	0	0	0	112	H58 L59 I65 V66	H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.69Å; L59-T62 PolarHBondContact O-N 3.45Å; T62-I65 PolarHBondContact O-N 2.87Å; T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.67Å
63	L	91.8	Very high	91.2	Very high	101 Å²	101	92.9 Å²	92.9	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-42.5	175.3	179.7	61.8	0	0	0	111.6	L59 S60 T61 V66 L67	L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 2.68Å; S60-L63 PolarHBondContact O-N 2.88Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 2.84Å; L63-V66 PolarHBondContact O-N 2.98Å; L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CG-CD1 4.01Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.23Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.11Å
64	N	93.3	Very high	91.5	Very high	86 Å²	86	94 Å²	94	46%	0.46	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.3	-70.1	-26.9	0	0	0	111.5	S60 T61 V66 L67 D68	S60-N64 WeakPolarHBondContact O-CB 3.26Å; S60-N64 PolarHBondContact O-N 2.91Å; S60-N64 PolarHBondContact O-ND2 3.47Å; T61-N64 PolarHBondContact O-N 2.71Å; N64-V66 PolarHBondContact O-N 2.68Å; N64-L67 PolarHBondContact O-N 3.19Å; N64-L67 VanDerWaalsContact O-N 3.16Å; N64-D68 PolarHBondContact O-N 2.84Å
65	I	91.7	Very high	91.9	Very high	85 Å²	85	94 Å²	94	44%	0.436	48%	0.482	S	S	.	.	H	α-helix	trans	-56.9	-49.2	174.3	-68.2	163.9	0	0	0	110.7	T61 T62 L67 D68 E69	T61-I65 HydrophobicContact CG2-CD1 4.14Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.37Å; T62-I65 PolarHBondContact O-N 2.87Å; I65-L67 VanDerWaalsContact C-N 3.3Å; I65-L67 PolarHBondContact O-N 3.46Å; I65-D68 PolarHBondContact O-N 2.98Å; I65-E69 HydrophobicContact CG2-CG 4.36Å; I65-E69 WeakPolarHBondContact O-CB 3.38Å; I65-E69 WeakPolarHBondContact O-CG 3.32Å; I65-E69 PolarHBondContact O-N 2.91Å
66	V	91.6	Very high	92.2	Very high	74 Å²	74	93 Å²	93	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-30.8	178.7	171.2	0	0	0	0	112.4	T62 L63 N64 K70	T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.67Å; L63-V66 PolarHBondContact O-N 2.98Å; N64-V66 PolarHBondContact O-N 2.68Å; V66-K70 WeakPolarHBondContact O-CB 3.14Å; V66-K70 PolarHBondContact O-N 3.47Å
67	L	94.2	Very high	92.4	Very high	81 Å²	81	92.1 Å²	92.1	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-73.9	-30.4	174.2	-75	171.3	0	0	0	113	L63 N64 I65 R71	L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CG-CD1 4.01Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.23Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.11Å; N64-L67 PolarHBondContact O-N 3.19Å; N64-L67 VanDerWaalsContact O-N 3.16Å; I65-L67 VanDerWaalsContact C-N 3.3Å; I65-L67 PolarHBondContact O-N 3.46Å; L67-R71 PolarHBondContact O-N 3.45Å
68	D	94.1	Very high	92.6	Very high	71 Å²	71	92.7 Å²	92.7	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-75.6	-47.8	173.1	-69.1	-23.7	0	0	0	110.5	N64 I65 K70 R71 D72	N64-D68 PolarHBondContact O-N 2.84Å; I65-D68 PolarHBondContact O-N 2.98Å; D68-K70 VanDerWaalsContact C-N 3.29Å; D68-K70 PolarHBondContact O-N 3.32Å; D68-R71 WeakPolarHBondContact O-CA 3.35Å; D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 2.95Å; D68-R71 IonicContact OD1-CZ 3.76Å; D68-R71 IonicContact OD1-NH1 2.69Å; D68-R71 PolarHBondContact OD1-NH1 3.16Å; D68-R71 IonicContact OD1-NH2 3.12Å; D68-R71 PolarHBondContact OD1-NH2 2.89Å; D68-D72 PolarHBondContact O-N 2.91Å
69	E	93.7	Very high	92.9	Very high	111 Å²	111	90.3 Å²	90.3	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-54.8	-43.1	171.5	-73.7	176.9	173.3	0	0	111.9	I65 R71 D72 L73	I65-E69 HydrophobicContact CG2-CG 4.36Å; I65-E69 WeakPolarHBondContact O-CB 3.38Å; I65-E69 WeakPolarHBondContact O-CG 3.32Å; I65-E69 PolarHBondContact O-N 2.91Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 3.39Å; E69-D72 PolarHBondContact O-N 3.37Å; E69-L73 WeakPolarHBondContact O-CB 3.37Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 2.83Å
70	K	93.4	Very high	93	Very high	102 Å²	102	91.9 Å²	91.9	44%	0.443	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-43.1	173.9	176.7	-178	175.1	-68.9	0	111.6	V66 D68 L73 E74	V66-K70 WeakPolarHBondContact O-CB 3.14Å; V66-K70 PolarHBondContact O-N 3.47Å; D68-K70 VanDerWaalsContact C-N 3.29Å; D68-K70 PolarHBondContact O-N 3.32Å; K70-L73 PolarHBondContact O-N 2.93Å; K70-E74 IonicContact NZ-OE1 2.75Å; K70-E74 PolarHBondContact NZ-OE1 3.18Å; K70-E74 IonicContact NZ-OE2 2.68Å; K70-E74 PolarHBondContact NZ-OE2 3.16Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.3Å; K70-E74 PolarHBondContact O-N 3.37Å
71	R	94.5	Very high	93.2	Very high	121 Å²	121	95.7 Å²	95.7	46%	0.457	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-40.3	179.8	-164.9	-172.8	-50.5	111.7	13.9	111.2	L67 D68 E69 E74 N75	L67-R71 PolarHBondContact O-N 3.45Å; D68-R71 WeakPolarHBondContact O-CA 3.35Å; D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 2.95Å; D68-R71 IonicContact OD1-CZ 3.76Å; D68-R71 IonicContact OD1-NH1 2.69Å; D68-R71 PolarHBondContact OD1-NH1 3.16Å; D68-R71 IonicContact OD1-NH2 3.12Å; D68-R71 PolarHBondContact OD1-NH2 2.89Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 3.39Å; R71-E74 PolarHBondContact O-N 3.03Å; R71-N75 WeakPolarHBondContact O-CB 3.41Å; R71-N75 PolarHBondContact O-N 3.15Å; R71-N75 PolarHBondContact O-ND2 3.04Å; R71-N75 VanDerWaalsContact O-ND2 3.16Å
72	D	94.7	Very high	93.4	Very high	103 Å²	103	98.6 Å²	98.6	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-68.1	-38.8	178	-71.9	-14.2	0	0	0	111.8	D68 E69 N75 E76	D68-D72 PolarHBondContact O-N 2.91Å; E69-D72 PolarHBondContact O-N 3.37Å; D72-N75 WeakPolarHBondContact O-CB 3.46Å; D72-N75 PolarHBondContact O-N 3.42Å; D72-E76 WeakPolarHBondContact O-CB 3.5Å; D72-E76 PolarHBondContact O-N 3.46Å
73	L	93.8	Very high	93.6	Very high	101 Å²	101	99.5 Å²	99.5	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-37.5	171	-71.7	170	0	0	0	112.7	E69 K70 E76 I77	E69-L73 WeakPolarHBondContact O-CB 3.37Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 2.83Å; K70-L73 PolarHBondContact O-N 2.93Å; L73-E76 PolarHBondContact O-N 3.18Å; L73-I77 WeakPolarHBondContact O-CB 3.23Å; L73-I77 WeakPolarHBondContact O-CD1 3.48Å; L73-I77 VanDerWaalsContact O-CG1 3.23Å; L73-I77 WeakPolarHBondContact O-CG1 3.39Å; L73-I77 PolarHBondContact O-N 3.11Å
74	E	94.8	Very high	93.7	Very high	100 Å²	100	99.1 Å²	99.1	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-39	173.7	-77.8	173.7	145.1	0	0	111.7	K70 R71 L78	K70-E74 IonicContact NZ-OE1 2.75Å; K70-E74 PolarHBondContact NZ-OE1 3.18Å; K70-E74 IonicContact NZ-OE2 2.68Å; K70-E74 PolarHBondContact NZ-OE2 3.16Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.3Å; K70-E74 PolarHBondContact O-N 3.37Å; R71-E74 PolarHBondContact O-N 3.03Å; E74-L78 PolarHBondContact O-N 3.31Å
75	N	94.8	Very high	93.8	Very high	84 Å²	84	97.4 Å²	97.4	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-43.7	171.6	-69.9	-32.2	0	0	0	111.7	R71 D72 I77 L78 V79	R71-N75 WeakPolarHBondContact O-CB 3.41Å; R71-N75 PolarHBondContact O-N 3.15Å; R71-N75 PolarHBondContact O-ND2 3.04Å; R71-N75 VanDerWaalsContact O-ND2 3.16Å; D72-N75 WeakPolarHBondContact O-CB 3.46Å; D72-N75 PolarHBondContact O-N 3.42Å; N75-I77 VanDerWaalsContact C-N 3.35Å; N75-I77 PolarHBondContact O-N 3.47Å; N75-L78 WeakPolarHBondContact O-CB 3.45Å; N75-L78 PolarHBondContact O-N 3.35Å; N75-V79 WeakPolarHBondContact O-CG2 3.5Å; N75-V79 PolarHBondContact O-N 2.94Å
76	E	92.9	Very high	93.9	Very high	87 Å²	87	98.7 Å²	98.7	41%	0.407	49%	0.488	S	S	.	.	H	α-helix	trans	-63.9	-40.6	177.9	-156.4	-157.1	155.3	0	0	111.6	D72 L73 L78 V79 R80	D72-E76 WeakPolarHBondContact O-CB 3.5Å; D72-E76 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 3.18Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.99Å; E76-V79 PolarHBondContact O-N 2.94Å; E76-R80 WeakPolarHBondContact O-CB 3.46Å; E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.14Å; E76-R80 IonicContact OE1-CZ 2.72Å; E76-R80 IonicContact OE1-NE 2.67Å; E76-R80 PolarHBondContact OE1-NE 3.47Å; E76-R80 IonicContact OE1-NH2 2.95Å; E76-R80 PolarHBondContact OE1-NH2 3.19Å; E76-R80 IonicContact OE2-NH2 2.85Å
77	I	92.2	Very high	94.2	Very high	88 Å²	88	100.3 Å²	100.3	45%	0.451	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-35.9	174.8	-71.6	165.5	0	0	0	111.3	L73 N75 K81	L73-I77 WeakPolarHBondContact O-CB 3.23Å; L73-I77 WeakPolarHBondContact O-CD1 3.48Å; L73-I77 VanDerWaalsContact O-CG1 3.23Å; L73-I77 WeakPolarHBondContact O-CG1 3.39Å; L73-I77 PolarHBondContact O-N 3.11Å; N75-I77 VanDerWaalsContact C-N 3.35Å; N75-I77 PolarHBondContact O-N 3.47Å; I77-K81 HydrophobicContact CG2-CD 4.27Å; I77-K81 VanDerWaalsContact O-CG 3.3Å; I77-K81 WeakPolarHBondContact O-CG 3.35Å; I77-K81 PolarHBondContact O-N 2.92Å; I77-K81 VanDerWaalsContact O-N 3.11Å
78	L	94.6	Very high	94.2	Very high	116 Å²	116	102.1 Å²	102.1	61%	0.607	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-51.3	173.8	-166.8	82.2	0	0	0	110.9	E74 N75 E76 R80 K81 E82	E74-L78 PolarHBondContact O-N 3.31Å; N75-L78 WeakPolarHBondContact O-CB 3.45Å; N75-L78 PolarHBondContact O-N 3.35Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.99Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 3.35Å; L78-K81 PolarHBondContact O-N 2.85Å; L78-E82 PolarHBondContact O-N 3.37Å
79	V	94.2	Very high	94.3	Very high	76 Å²	76	104 Å²	104	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-39.2	179.5	172.1	0	0	0	0	111.5	N75 E76 E82 N83	N75-V79 WeakPolarHBondContact O-CG2 3.5Å; N75-V79 PolarHBondContact O-N 2.94Å; E76-V79 PolarHBondContact O-N 2.94Å; V79-E82 PolarHBondContact O-N 3.45Å; V79-N83 PolarHBondContact O-N 3.46Å; V79-N83 PolarHBondContact O-ND2 2.86Å
80	R	93.2	Very high	94.4	Very high	148 Å²	148	106.3 Å²	106.3	56%	0.558	51%	0.512	S	S	*	.	H	α-helix	trans	-61.6	-45.3	174.1	-74.8	174.6	179.9	-138.3	11.4	111.7	E76 L78 E82 N83 D84	E76-R80 WeakPolarHBondContact O-CB 3.46Å; E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.14Å; E76-R80 IonicContact OE1-CZ 2.72Å; E76-R80 IonicContact OE1-NE 2.67Å; E76-R80 PolarHBondContact OE1-NE 3.47Å; E76-R80 IonicContact OE1-NH2 2.95Å; E76-R80 PolarHBondContact OE1-NH2 3.19Å; E76-R80 IonicContact OE2-NH2 2.85Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 3.35Å; R80-E82 VanDerWaalsContact C-N 3.34Å; R80-E82 PolarHBondContact O-N 2.98Å; R80-N83 PolarHBondContact O-N 3.38Å; R80-D84 VanDerWaalsContact O-CG 3.32Å; R80-D84 PolarHBondContact O-N 3.42Å
81	K	94.6	Very high	94.5	Very high	137 Å²	137	106.8 Å²	106.8	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-37.4	177	-74.6	170.5	179.8	175.4	0	113.3	I77 L78 D84 A85	I77-K81 HydrophobicContact CG2-CD 4.27Å; I77-K81 VanDerWaalsContact O-CG 3.3Å; I77-K81 WeakPolarHBondContact O-CG 3.35Å; I77-K81 PolarHBondContact O-N 2.92Å; I77-K81 VanDerWaalsContact O-N 3.11Å; L78-K81 PolarHBondContact O-N 2.85Å; K81-D84 PolarHBondContact O-N 3.4Å; K81-A85 WeakPolarHBondContact O-CB 3.3Å; K81-A85 PolarHBondContact O-N 3.06Å
82	E	93.4	Very high	94.5	Very high	140 Å²	140	104.7 Å²	104.7	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-66.4	-42.1	175.6	-172.6	172.1	-162.7	0	0	111.5	L78 V79 R80 A85 H86	L78-E82 PolarHBondContact O-N 3.37Å; V79-E82 PolarHBondContact O-N 3.45Å; R80-E82 VanDerWaalsContact C-N 3.34Å; R80-E82 PolarHBondContact O-N 2.98Å; E82-A85 PolarHBondContact O-N 3.25Å; E82-H86 PolarHBondContact O-N 2.66Å
83	N	94.4	Very high	94.6	Very high	77 Å²	77	103.7 Å²	103.7	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-44.2	172.6	-77.9	-74.6	0	0	0	112.3	V79 R80 A85 H86 F87	V79-N83 PolarHBondContact O-N 3.46Å; V79-N83 PolarHBondContact O-ND2 2.86Å; R80-N83 PolarHBondContact O-N 3.38Å; N83-A85 VanDerWaalsContact C-N 3.35Å; N83-A85 PolarHBondContact O-N 2.79Å; N83-H86 PolarHBondContact O-N 2.89Å; N83-F87 HydrophobicContact CB-CE2 4.29Å; N83-F87 WeakPolarHBondContact O-CD2 3.45Å; N83-F87 WeakPolarHBondContact O-CG 3.23Å; N83-F87 PolarHBondContact O-N 3.24Å
84	D	94.5	Very high	94.7	Very high	94 Å²	94	103.4 Å²	103.4	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-40.6	177.8	-71.8	-25.7	0	0	0	111.9	R80 K81 F87 L88	R80-D84 VanDerWaalsContact O-CG 3.32Å; R80-D84 PolarHBondContact O-N 3.42Å; K81-D84 PolarHBondContact O-N 3.4Å; D84-F87 PolarHBondContact O-N 3.24Å; D84-L88 WeakPolarHBondContact O-CG 3.47Å; D84-L88 PolarHBondContact O-N 3.27Å
85	A	94.6	Very high	94.7	Very high	49 Å²	49	102.2 Å²	102.2	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-47.3	173.4	0	0	0	0	0	111.7	K81 E82 N83 F87 L88 D89	K81-A85 WeakPolarHBondContact O-CB 3.3Å; K81-A85 PolarHBondContact O-N 3.06Å; E82-A85 PolarHBondContact O-N 3.25Å; N83-A85 VanDerWaalsContact C-N 3.35Å; N83-A85 PolarHBondContact O-N 2.79Å; A85-F87 VanDerWaalsContact C-N 3.3Å; A85-F87 PolarHBondContact O-N 3.05Å; A85-L88 PolarHBondContact O-N 2.79Å; A85-L88 VanDerWaalsContact O-N 3.14Å; A85-D89 PolarHBondContact O-N 2.86Å
86	H	94.7	Very high	94.7	Very high	113 Å²	113	101.1 Å²	101.1	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-33.8	175.7	174.4	-106.2	0	0	0	112.8	E82 N83 R90	E82-H86 PolarHBondContact O-N 2.66Å; N83-H86 PolarHBondContact O-N 2.89Å; H86-R90 VanDerWaalsContact O-CB 3.29Å; H86-R90 WeakPolarHBondContact O-CB 3.29Å; H86-R90 PolarHBondContact O-N 3.02Å
87	F	96.1	Very high	94.9	Very high	107 Å²	107	101.5 Å²	101.5	47%	0.469	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-41.2	171.5	-74.4	-55.9	0	0	0	112.4	N83 D84 A85 R90 I91	N83-F87 HydrophobicContact CB-CE2 4.29Å; N83-F87 WeakPolarHBondContact O-CD2 3.45Å; N83-F87 WeakPolarHBondContact O-CG 3.23Å; N83-F87 PolarHBondContact O-N 3.24Å; D84-F87 PolarHBondContact O-N 3.24Å; A85-F87 VanDerWaalsContact C-N 3.3Å; A85-F87 PolarHBondContact O-N 3.05Å; F87-R90 PolarHBondContact O-N 3.46Å; F87-I91 WeakPolarHBondContact O-CB 3.44Å; F87-I91 WeakPolarHBondContact O-CD1 3.38Å; F87-I91 VanDerWaalsContact O-CG1 3.23Å; F87-I91 WeakPolarHBondContact O-CG1 3.43Å; F87-I91 PolarHBondContact O-N 2.87Å
88	L	95.7	Very high	95.1	Very high	119 Å²	119	101.8 Å²	101.8	62%	0.623	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-43.8	176.4	-72.6	170.2	0	0	0	112.1	D84 A85 R90 I91 S92	D84-L88 WeakPolarHBondContact O-CG 3.47Å; D84-L88 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 2.79Å; A85-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 VanDerWaalsContact C-N 3.35Å; L88-R90 PolarHBondContact O-N 3.49Å; L88-I91 PolarHBondContact O-N 2.87Å; L88-S92 WeakPolarHBondContact O-CB 3.08Å; L88-S92 PolarHBondContact O-N 3.34Å
89	D	95.6	Very high	95.2	Very high	112 Å²	112	98.8 Å²	98.8	60%	0.599	51%	0.512	S	S	*	.	H	α-helix	trans	-61.2	-43.5	173.8	-81.9	-19	0	0	0	111.4	A85 I91 S92 V93	A85-D89 PolarHBondContact O-N 2.86Å; D89-I91 PolarHBondContact O-N 2.93Å; D89-S92 WeakPolarHBondContact O-CB 3.49Å; D89-S92 PolarHBondContact O-N 3.29Å; D89-V93 WeakPolarHBondContact O-CG2 3.38Å; D89-V93 PolarHBondContact O-N 3.19Å
90	R	96.2	Very high	95.3	Very high	158 Å²	158	101.6 Å²	101.6	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-40.6	175.7	-175.4	173.2	178.5	166.6	-0.4	112.3	H86 F87 L88 E94	H86-R90 VanDerWaalsContact O-CB 3.29Å; H86-R90 WeakPolarHBondContact O-CB 3.29Å; H86-R90 PolarHBondContact O-N 3.02Å; F87-R90 PolarHBondContact O-N 3.46Å; L88-R90 VanDerWaalsContact C-N 3.35Å; L88-R90 PolarHBondContact O-N 3.49Å; R90-E94 WeakPolarHBondContact O-CB 3.4Å; R90-E94 PolarHBondContact O-N 3.32Å
91	I	94.8	Very high	95.5	Very high	112 Å²	112	98.8 Å²	98.8	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-65	-41.6	175.1	-72	163.5	0	0	0	110.7	F87 L88 D89 E94 S95	F87-I91 WeakPolarHBondContact O-CB 3.44Å; F87-I91 WeakPolarHBondContact O-CD1 3.38Å; F87-I91 VanDerWaalsContact O-CG1 3.23Å; F87-I91 WeakPolarHBondContact O-CG1 3.43Å; F87-I91 PolarHBondContact O-N 2.87Å; L88-I91 PolarHBondContact O-N 2.87Å; D89-I91 PolarHBondContact O-N 2.93Å; I91-E94 PolarHBondContact O-N 2.86Å; I91-S95 WeakPolarHBondContact O-CB 3.47Å; I91-S95 PolarHBondContact O-N 2.85Å
92	S	95.4	Very high	95.5	Very high	78 Å²	78	97.2 Å²	97.2	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-47.5	176.3	-174.4	0	0	0	0	111.8	L88 D89 S95 S96	L88-S92 WeakPolarHBondContact O-CB 3.08Å; L88-S92 PolarHBondContact O-N 3.34Å; D89-S92 WeakPolarHBondContact O-CB 3.49Å; D89-S92 PolarHBondContact O-N 3.29Å; S92-S95 PolarHBondContact O-N 3.42Å; S92-S96 WeakPolarHBondContact O-CB 3.19Å; S92-S96 PolarHBondContact O-N 2.66Å
93	V	96.2	Very high	95.7	Very high	82 Å²	82	97.1 Å²	97.1	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.9	168.2	0	0	0	0	111.6	D89 S96 K97	D89-V93 WeakPolarHBondContact O-CG2 3.38Å; D89-V93 PolarHBondContact O-N 3.19Å; V93-S96 PolarHBondContact O-N 2.94Å; V93-K97 WeakPolarHBondContact O-CG 3.19Å; V93-K97 PolarHBondContact O-N 3.14Å
94	E	95.3	Very high	95.8	Very high	95 Å²	95	98.8 Å²	98.8	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-70.4	-35.6	-179.7	-147	64.2	-137.9	0	0	112.3	R90 I91 K97 N98	R90-E94 WeakPolarHBondContact O-CB 3.4Å; R90-E94 PolarHBondContact O-N 3.32Å; I91-E94 PolarHBondContact O-N 2.86Å; E94-K97 VanDerWaalsContact CD-NZ 3.32Å; E94-K97 PolarHBondContact O-N 3.37Å; E94-K97 WeakPolarHBondContact OE1-CD 3.44Å; E94-K97 IonicContact OE1-NZ 2.66Å; E94-K97 PolarHBondContact OE1-NZ 2.94Å; E94-K97 IonicContact OE2-NZ 2.68Å; E94-K97 PolarHBondContact OE2-NZ 3.42Å; E94-N98 WeakPolarHBondContact O-CB 3.42Å; E94-N98 PolarHBondContact O-N 3.12Å
95	S	95.2	Very high	95.8	Very high	75 Å²	75	99.2 Å²	99.2	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-43.8	170.8	-174.2	0	0	0	0	111.5	I91 S92 K97 N98 A99	I91-S95 WeakPolarHBondContact O-CB 3.47Å; I91-S95 PolarHBondContact O-N 2.85Å; S92-S95 PolarHBondContact O-N 3.42Å; S95-K97 PolarHBondContact O-N 3.35Å; S95-N98 PolarHBondContact O-N 3.02Å; S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 3.45Å
96	S	96	Very high	95.9	Very high	60 Å²	60	100.2 Å²	100.2	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-40.4	175.7	-170	0	0	0	0	112.8	S92 V93 K100	S92-S96 WeakPolarHBondContact O-CB 3.19Å; S92-S96 PolarHBondContact O-N 2.66Å; V93-S96 PolarHBondContact O-N 2.94Å; S96-K100 WeakPolarHBondContact O-CG 3.47Å; S96-K100 PolarHBondContact O-N 2.97Å
97	K	97	Very high	95.9	Very high	95 Å²	95	100.5 Å²	100.5	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-47.5	172	-67.9	169	-172.9	168.3	0	111.5	V93 E94 S95 A99 K100 L101	V93-K97 WeakPolarHBondContact O-CG 3.19Å; V93-K97 PolarHBondContact O-N 3.14Å; E94-K97 VanDerWaalsContact CD-NZ 3.32Å; E94-K97 PolarHBondContact O-N 3.37Å; E94-K97 WeakPolarHBondContact OE1-CD 3.44Å; E94-K97 IonicContact OE1-NZ 2.66Å; E94-K97 PolarHBondContact OE1-NZ 2.94Å; E94-K97 IonicContact OE2-NZ 2.68Å; E94-K97 PolarHBondContact OE2-NZ 3.42Å; S95-K97 PolarHBondContact O-N 3.35Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 2.89Å; K97-K100 WeakPolarHBondContact O-CB 3.36Å; K97-K100 PolarHBondContact O-N 3.32Å; K97-K100 VanDerWaalsContact O-N 3.12Å; K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 3.22Å
98	N	96.6	Very high	96	Very high	94 Å²	94	100 Å²	100	50%	0.503	53%	0.526	S	S	.	.	H	α-helix	trans	-61.5	-41.4	-178.5	-165	12	0	0	0	111.3	E94 S95 K100 L101 L102	E94-N98 WeakPolarHBondContact O-CB 3.42Å; E94-N98 PolarHBondContact O-N 3.12Å; S95-N98 PolarHBondContact O-N 3.02Å; N98-K100 PolarHBondContact O-N 3.25Å; N98-L101 PolarHBondContact O-N 3.44Å; N98-L102 WeakPolarHBondContact O-CB 3.46Å; N98-L102 VanDerWaalsContact O-CG 3.31Å; N98-L102 WeakPolarHBondContact O-CG 3.31Å; N98-L102 PolarHBondContact O-N 3.2Å
99	A	95.8	Very high	96	Very high	53 Å²	53	101.8 Å²	101.8	44%	0.438	53%	0.529	S	S	.	.	H	α-helix	trans	-60.3	-41.4	173.1	0	0	0	0	0	112.9	S95 K97 L102 M103	S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 3.45Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 2.89Å; A99-L102 PolarHBondContact O-N 3.42Å; A99-M103 PolarHBondContact O-N 2.89Å
100	K	96.6	Very high	96	Very high	135 Å²	135	100.7 Å²	100.7	59%	0.587	53%	0.527	S	S	*	.	H	α-helix	trans	-64.4	-47.1	174.7	-71.4	173.4	-178.1	179.8	0	111.9	S96 K97 N98 L102 M103 E104	S96-K100 WeakPolarHBondContact O-CG 3.47Å; S96-K100 PolarHBondContact O-N 2.97Å; K97-K100 WeakPolarHBondContact O-CB 3.36Å; K97-K100 PolarHBondContact O-N 3.32Å; K97-K100 VanDerWaalsContact O-N 3.12Å; N98-K100 PolarHBondContact O-N 3.25Å; K100-L102 VanDerWaalsContact C-N 3.29Å; K100-L102 PolarHBondContact O-N 3.47Å; K100-M103 PolarHBondContact O-N 2.91Å; K100-M103 VanDerWaalsContact O-N 3.14Å; K100-E104 PolarHBondContact O-N 2.9Å
101	L	96.4	Very high	96	Very high	90 Å²	90	96.2 Å²	96.2	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-60.5	-37.2	177	-70.1	169.5	0	0	0	111.9	K97 N98 E104 I105	K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 3.22Å; N98-L101 PolarHBondContact O-N 3.44Å; L101-E104 PolarHBondContact O-N 3.27Å; L101-I105 WeakPolarHBondContact O-CB 3.42Å; L101-I105 WeakPolarHBondContact O-CD1 3.4Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.35Å
102	L	96.1	Very high	96.1	Very high	104 Å²	104	95.6 Å²	95.6	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-37.4	175	-74.6	168.6	0	0	0	112.8	N98 A99 K100 S106	N98-L102 WeakPolarHBondContact O-CB 3.46Å; N98-L102 VanDerWaalsContact O-CG 3.31Å; N98-L102 WeakPolarHBondContact O-CG 3.31Å; N98-L102 PolarHBondContact O-N 3.2Å; A99-L102 PolarHBondContact O-N 3.42Å; K100-L102 VanDerWaalsContact C-N 3.29Å; K100-L102 PolarHBondContact O-N 3.47Å; L102-S106 WeakPolarHBondContact O-CB 3.35Å; L102-S106 PolarHBondContact O-N 2.76Å
103	M	96.2	Very high	96.1	Very high	137 Å²	137	94.2 Å²	94.2	68%	0.675	51%	0.509	S	S	*	.	H	α-helix	trans	-67.8	-42.3	172.5	-64.4	-160.7	-51.5	0	0	111.8	A99 K100 S106 H107	A99-M103 PolarHBondContact O-N 2.89Å; K100-M103 PolarHBondContact O-N 2.91Å; K100-M103 VanDerWaalsContact O-N 3.14Å; M103-S106 WeakPolarHBondContact O-CB 3.41Å; M103-S106 PolarHBondContact O-N 2.92Å; M103-S106 VanDerWaalsContact O-N 3.15Å; M103-H107 PolarHBondContact O-N 3.12Å
104	E	96	Very high	96.1	Very high	112 Å²	112	94.7 Å²	94.7	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-45.4	176.7	-172.9	176.3	-179.9	0	0	111.6	K100 L101 S106 H107 L108	K100-E104 PolarHBondContact O-N 2.9Å; L101-E104 PolarHBondContact O-N 3.27Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.32Å; E104-H107 PolarHBondContact O-N 2.86Å; E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.32Å; E104-L108 VanDerWaalsContact O-CG 3.32Å; E104-L108 WeakPolarHBondContact O-CG 3.42Å; E104-L108 PolarHBondContact O-N 3.15Å
105	I	96	Very high	96.2	Very high	103 Å²	103	95.1 Å²	95.1	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-59.8	-38.3	172.9	-71.5	163.8	0	0	0	111.3	L101 K109	L101-I105 WeakPolarHBondContact O-CB 3.42Å; L101-I105 WeakPolarHBondContact O-CD1 3.4Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.35Å; I105-K109 WeakPolarHBondContact O-CB 3.16Å; I105-K109 PolarHBondContact O-N 3.06Å
106	S	95.6	Very high	96.2	Very high	71 Å²	71	95.4 Å²	95.4	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-41.6	177.5	-163.6	0	0	0	0	112.5	L102 M103 E104 T110	L102-S106 WeakPolarHBondContact O-CB 3.35Å; L102-S106 PolarHBondContact O-N 2.76Å; M103-S106 WeakPolarHBondContact O-CB 3.41Å; M103-S106 PolarHBondContact O-N 2.92Å; M103-S106 VanDerWaalsContact O-N 3.15Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.32Å; S106-T110 PolarHBondContact O-N 3.11Å; S106-T110 VanDerWaalsContact O-N 3.11Å; S106-T110 PolarHBondContact O-OG1 3.37Å
107	H	95.8	Very high	96.2	Very high	119 Å²	119	97 Å²	97	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-54.3	173.6	-176.2	-4.3	0	0	0	110.6	M103 E104 K109 T110 D111	M103-H107 PolarHBondContact O-N 3.12Å; E104-H107 PolarHBondContact O-N 2.86Å; H107-K109 VanDerWaalsContact C-N 3.25Å; H107-K109 PolarHBondContact O-N 2.84Å; H107-T110 WeakPolarHBondContact O-CA 3.21Å; H107-T110 VanDerWaalsContact O-CB 3.3Å; H107-T110 WeakPolarHBondContact O-CB 3.33Å; H107-T110 PolarHBondContact O-N 3.22Å; H107-D111 IonicContact CE1-OD1 3.13Å; H107-D111 PolarHBondContact CE1-OD1 2.93Å; H107-D111 IonicContact CE1-OD2 3.97Å; H107-D111 PolarHBondContact CE1-OD2 2.84Å; H107-D111 VanDerWaalsContact CE1-OD2 3.32Å; H107-D111 IonicContact ND1-OD1 2.79Å; H107-D111 PolarHBondContact ND1-OD1 3.5Å; H107-D111 IonicContact ND1-OD2 2.68Å; H107-D111 PolarHBondContact O-N 2.73Å
108	L	96.8	Very high	96.2	Very high	96 Å²	96	96.4 Å²	96.4	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-58.1	-36	178.6	-69.7	171.7	0	0	0	112.6	E104 T110 D111 V112	E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.32Å; E104-L108 VanDerWaalsContact O-CG 3.32Å; E104-L108 WeakPolarHBondContact O-CG 3.42Å; E104-L108 PolarHBondContact O-N 3.15Å; L108-T110 VanDerWaalsContact C-N 3.33Å; L108-D111 PolarHBondContact O-N 2.9Å; L108-V112 WeakPolarHBondContact O-CB 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 2.9Å
109	K	96.5	Very high	96.1	Very high	156 Å²	156	96 Å²	96	68%	0.678	50%	0.502	S	S	*	.	H	α-helix	trans	-66.1	-34.3	173.8	-177.1	178.8	178.6	-176.2	0	112.6	I105 H107 A113	I105-K109 WeakPolarHBondContact O-CB 3.16Å; I105-K109 PolarHBondContact O-N 3.06Å; H107-K109 VanDerWaalsContact C-N 3.25Å; H107-K109 PolarHBondContact O-N 2.84Å; K109-A113 PolarHBondContact O-N 3.22Å; K109-A113 VanDerWaalsContact O-N 3.15Å
110	T	96.1	Very high	96	Very high	90 Å²	90	97.6 Å²	97.6	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-70.7	-46.8	176	-54.7	0	0	0	0	110.3	S106 H107 L108 V112 A113 E114	S106-T110 PolarHBondContact O-N 3.11Å; S106-T110 VanDerWaalsContact O-N 3.11Å; S106-T110 PolarHBondContact O-OG1 3.37Å; H107-T110 WeakPolarHBondContact O-CA 3.21Å; H107-T110 VanDerWaalsContact O-CB 3.3Å; H107-T110 WeakPolarHBondContact O-CB 3.33Å; H107-T110 PolarHBondContact O-N 3.22Å; L108-T110 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 2.92Å; T110-A113 WeakPolarHBondContact O-CB 3.48Å; T110-A113 PolarHBondContact O-N 3.1Å; T110-A113 VanDerWaalsContact O-N 3.1Å; T110-E114 PolarHBondContact O-N 2.84Å
111	D	96.3	Very high	96	Very high	63 Å²	63	94 Å²	94	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-44	176.6	-66.9	28.3	0	0	0	111.4	H107 L108 A113 E114 K115	H107-D111 IonicContact CE1-OD1 3.13Å; H107-D111 PolarHBondContact CE1-OD1 2.93Å; H107-D111 IonicContact CE1-OD2 3.97Å; H107-D111 PolarHBondContact CE1-OD2 2.84Å; H107-D111 VanDerWaalsContact CE1-OD2 3.32Å; H107-D111 IonicContact ND1-OD1 2.79Å; H107-D111 PolarHBondContact ND1-OD1 3.5Å; H107-D111 IonicContact ND1-OD2 2.68Å; H107-D111 PolarHBondContact O-N 2.73Å; L108-D111 PolarHBondContact O-N 2.9Å; D111-A113 VanDerWaalsContact C-N 3.29Å; D111-A113 PolarHBondContact O-N 3.38Å; D111-E114 PolarHBondContact O-N 2.9Å; D111-K115 WeakPolarHBondContact O-CB 3.28Å; D111-K115 VanDerWaalsContact O-CG 3.28Å; D111-K115 WeakPolarHBondContact O-CG 3.49Å; D111-K115 PolarHBondContact O-N 3.5Å
112	V	96.1	Very high	95.9	Very high	99 Å²	99	95.2 Å²	95.2	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-60.8	-37.6	174.6	165.7	0	0	0	0	111.6	L108 T110 N116	L108-V112 WeakPolarHBondContact O-CB 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 2.9Å; T110-V112 PolarHBondContact O-N 2.92Å; V112-N116 VanDerWaalsContact O-CB 3.23Å; V112-N116 WeakPolarHBondContact O-CB 3.42Å; V112-N116 PolarHBondContact O-N 2.92Å
113	A	95.5	Very high	95.9	Very high	49 Å²	49	96.7 Å²	96.7	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-42.6	174.8	0	0	0	0	0	112.1	K109 T110 D111 N116 N117	K109-A113 PolarHBondContact O-N 3.22Å; K109-A113 VanDerWaalsContact O-N 3.15Å; T110-A113 WeakPolarHBondContact O-CB 3.48Å; T110-A113 PolarHBondContact O-N 3.1Å; T110-A113 VanDerWaalsContact O-N 3.1Å; D111-A113 VanDerWaalsContact C-N 3.29Å; D111-A113 PolarHBondContact O-N 3.38Å; A113-N116 PolarHBondContact O-N 3.15Å; A113-N117 PolarHBondContact O-N 3.46Å; A113-N117 PolarHBondContact O-ND2 3.41Å; A113-N117 PolarHBondContact O-OD1 3.31Å
114	E	96.1	Very high	95.8	Very high	92 Å²	92	94.6 Å²	94.6	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-48.1	174.6	-169.3	-154.6	108.9	0	0	111.5	T110 D111 N116 N117 Q118	T110-E114 PolarHBondContact O-N 2.84Å; D111-E114 PolarHBondContact O-N 2.9Å; E114-N116 VanDerWaalsContact C-N 3.35Å; E114-N116 PolarHBondContact O-N 3.17Å; E114-N117 WeakPolarHBondContact O-CB 3.43Å; E114-N117 PolarHBondContact O-N 3.47Å; E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 2.9Å; E114-Q118 PolarHBondContact OE1-NE2 3.42Å
115	K	97.1	Very high	95.8	Very high	104 Å²	104	93.8 Å²	93.8	45%	0.452	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-36.6	178.5	-62	-63.5	155.7	-136.7	0	111.8	D111 Q118 I119	D111-K115 WeakPolarHBondContact O-CB 3.28Å; D111-K115 VanDerWaalsContact O-CG 3.28Å; D111-K115 WeakPolarHBondContact O-CG 3.49Å; D111-K115 PolarHBondContact O-N 3.5Å; K115-Q118 PolarHBondContact O-N 2.88Å; K115-I119 WeakPolarHBondContact O-CB 3.22Å; K115-I119 WeakPolarHBondContact O-CD1 3.23Å; K115-I119 VanDerWaalsContact O-CG1 3.22Å; K115-I119 WeakPolarHBondContact O-CG1 3.49Å; K115-I119 PolarHBondContact O-N 2.93Å
116	N	95.9	Very high	95.7	Very high	82 Å²	82	92.4 Å²	92.4	44%	0.439	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-40.6	172.2	-175.8	72	0	0	0	111.9	V112 A113 E114 I119 M120	V112-N116 VanDerWaalsContact O-CB 3.23Å; V112-N116 WeakPolarHBondContact O-CB 3.42Å; V112-N116 PolarHBondContact O-N 2.92Å; A113-N116 PolarHBondContact O-N 3.15Å; E114-N116 VanDerWaalsContact C-N 3.35Å; E114-N116 PolarHBondContact O-N 3.17Å; N116-I119 PolarHBondContact O-N 2.91Å; N116-M120 WeakPolarHBondContact ND2-CE 3.44Å; N116-M120 WeakPolarHBondContact O-CG 3.17Å; N116-M120 PolarHBondContact O-N 3.4Å
117	N	95.8	Very high	95.6	Very high	94 Å²	94	94.7 Å²	94.7	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-40.8	175.2	-68	-14.9	0	0	0	112.1	A113 E114 M120 A121	A113-N117 PolarHBondContact O-N 3.46Å; A113-N117 PolarHBondContact O-ND2 3.41Å; A113-N117 PolarHBondContact O-OD1 3.31Å; E114-N117 WeakPolarHBondContact O-CB 3.43Å; E114-N117 PolarHBondContact O-N 3.47Å; N117-M120 PolarHBondContact O-N 2.95Å; N117-M120 WeakPolarHBondContact OD1-CE 3.33Å; N117-A121 PolarHBondContact O-N 2.94Å
118	Q	96.1	Very high	95.5	Very high	82 Å²	82	93.4 Å²	93.4	38%	0.383	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-40.5	173.2	-73.7	166.3	6.2	0	0	111.9	E114 K115 A121 L122	E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 2.9Å; E114-Q118 PolarHBondContact OE1-NE2 3.42Å; K115-Q118 PolarHBondContact O-N 2.88Å; Q118-A121 PolarHBondContact O-N 3.37Å; Q118-L122 WeakPolarHBondContact O-CB 3.44Å; Q118-L122 WeakPolarHBondContact O-CG 3.39Å; Q118-L122 PolarHBondContact O-N 3.24Å
119	I	94.7	Very high	95.4	Very high	85 Å²	85	93.5 Å²	93.5	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-38.4	173.9	-71.6	163.5	0	0	0	111.5	K115 N116 K123	K115-I119 WeakPolarHBondContact O-CB 3.22Å; K115-I119 WeakPolarHBondContact O-CD1 3.23Å; K115-I119 VanDerWaalsContact O-CG1 3.22Å; K115-I119 WeakPolarHBondContact O-CG1 3.49Å; K115-I119 PolarHBondContact O-N 2.93Å; N116-I119 PolarHBondContact O-N 2.91Å; I119-K123 HydrophobicContact CG2-CD 4.2Å; I119-K123 WeakPolarHBondContact O-CB 3.27Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3Å
120	M	95.3	Very high	95.2	Very high	86 Å²	86	91.7 Å²	91.7	42%	0.424	48%	0.479	S	S	.	.	H	α-helix	trans	-68	-43.3	175.6	-71.2	-172.4	-59.7	0	0	112.1	N116 N117 L122 K123 I124	N116-M120 WeakPolarHBondContact ND2-CE 3.44Å; N116-M120 WeakPolarHBondContact O-CG 3.17Å; N116-M120 PolarHBondContact O-N 3.4Å; N117-M120 PolarHBondContact O-N 2.95Å; N117-M120 WeakPolarHBondContact OD1-CE 3.33Å; M120-L122 PolarHBondContact O-N 2.98Å; M120-K123 PolarHBondContact O-N 3.35Å; M120-I124 WeakPolarHBondContact O-CG1 3.49Å; M120-I124 PolarHBondContact O-N 2.87Å
121	A	94.8	Very high	95	Very high	59 Å²	59	91 Å²	91	49%	0.488	48%	0.475	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.2	0	0	0	0	0	112.1	N117 Q118 K123 I124 H125	N117-A121 PolarHBondContact O-N 2.94Å; Q118-A121 PolarHBondContact O-N 3.37Å; A121-K123 PolarHBondContact O-N 3.03Å; A121-I124 PolarHBondContact O-N 3.47Å; A121-H125 PolarHBondContact O-N 3.25Å
122	L	95.7	Very high	94.8	Very high	116 Å²	116	92.4 Å²	92.4	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-64.7	-36.2	175.4	-72.9	170.3	0	0	0	112.6	Q118 M120 H125 V126	Q118-L122 WeakPolarHBondContact O-CB 3.44Å; Q118-L122 WeakPolarHBondContact O-CG 3.39Å; Q118-L122 PolarHBondContact O-N 3.24Å; M120-L122 PolarHBondContact O-N 2.98Å; L122-H125 PolarHBondContact O-N 3.4Å; L122-V126 VanDerWaalsContact O-CG2 3.32Å; L122-V126 WeakPolarHBondContact O-CG2 3.4Å; L122-V126 PolarHBondContact O-N 3.5Å
123	K	96	Very high	94.6	Very high	135 Å²	135	89.4 Å²	89.4	59%	0.587	47%	0.468	S	S	*	.	H	α-helix	trans	-64.2	-43.4	174.4	-79.9	172.7	177.8	-179.2	0	112.4	I119 M120 A121 H125 V126 Q127	I119-K123 HydrophobicContact CG2-CD 4.2Å; I119-K123 WeakPolarHBondContact O-CB 3.27Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3Å; M120-K123 PolarHBondContact O-N 3.35Å; A121-K123 PolarHBondContact O-N 3.03Å; K123-H125 VanDerWaalsContact C-N 3.34Å; K123-V126 PolarHBondContact O-N 2.91Å; K123-Q127 WeakPolarHBondContact O-CG 3.32Å; K123-Q127 PolarHBondContact O-N 3.5Å
124	I	94.3	Very high	94.5	Very high	94 Å²	94	93.6 Å²	93.6	48%	0.482	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-47.1	175.2	-66.7	165.5	0	0	0	109.6	M120 A121 V126 Q127 E128	M120-I124 WeakPolarHBondContact O-CG1 3.49Å; M120-I124 PolarHBondContact O-N 2.87Å; A121-I124 PolarHBondContact O-N 3.47Å; I124-V126 VanDerWaalsContact C-N 3.33Å; I124-V126 PolarHBondContact O-N 3.48Å; I124-Q127 WeakPolarHBondContact O-CB 3.42Å; I124-Q127 PolarHBondContact O-N 2.92Å; I124-E128 HydrophobicContact CG2-CG 4.5Å; I124-E128 WeakPolarHBondContact O-CG 3.48Å; I124-E128 PolarHBondContact O-N 3.22Å
125	H	94.5	Very high	94.3	Very high	95 Å²	95	94.4 Å²	94.4	44%	0.44	48%	0.483	S	S	.	.	H	α-helix	trans	-65.7	-33.3	-179.9	-167.1	50.6	0	0	0	113.8	A121 L122 K123 E128 L129	A121-H125 PolarHBondContact O-N 3.25Å; L122-H125 PolarHBondContact O-N 3.4Å; K123-H125 VanDerWaalsContact C-N 3.34Å; H125-E128 WeakPolarHBondContact CA-OE2 3.31Å; H125-E128 IonicContact CE1-OE2 2.66Å; H125-E128 IonicContact CG-OE2 3.22Å; H125-E128 IonicContact ND1-OE2 2.66Å; H125-E128 PolarHBondContact ND1-OE2 3.07Å; H125-E128 PolarHBondContact O-N 3.02Å; H125-L129 WeakPolarHBondContact O-CB 3.47Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.49Å; H125-L129 PolarHBondContact O-N 3.15Å
126	V	94.1	Very high	94.1	Very high	74 Å²	74	96.3 Å²	96.3	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-43.1	170.4	167.4	0	0	0	0	110.8	L122 K123 I124 E128 L129 E130	L122-V126 VanDerWaalsContact O-CG2 3.32Å; L122-V126 WeakPolarHBondContact O-CG2 3.4Å; L122-V126 PolarHBondContact O-N 3.5Å; K123-V126 PolarHBondContact O-N 2.91Å; I124-V126 VanDerWaalsContact C-N 3.33Å; I124-V126 PolarHBondContact O-N 3.48Å; V126-E128 PolarHBondContact O-N 2.83Å; V126-L129 PolarHBondContact O-N 3.4Å; V126-E130 HydrophobicContact CG1-CG 4.31Å; V126-E130 WeakPolarHBondContact O-CB 3.43Å; V126-E130 VanDerWaalsContact O-CG 3.31Å; V126-E130 WeakPolarHBondContact O-CG 3.45Å; V126-E130 PolarHBondContact O-N 3.37Å
127	Q	94.6	Very high	94	Very high	119 Å²	119	96.4 Å²	96.4	56%	0.556	49%	0.489	S	S	*	.	H	α-helix	trans	-64.8	-38.8	176.9	-70.6	176.9	-35.2	0	0	112.6	K123 I124 E130 T131	K123-Q127 WeakPolarHBondContact O-CG 3.32Å; K123-Q127 PolarHBondContact O-N 3.5Å; I124-Q127 WeakPolarHBondContact O-CB 3.42Å; I124-Q127 PolarHBondContact O-N 2.92Å; Q127-E130 PolarHBondContact O-N 3.06Å; Q127-T131 WeakPolarHBondContact O-CG2 3.45Å; Q127-T131 PolarHBondContact O-N 3.38Å; Q127-T131 PolarHBondContact O-OG1 2.94Å
128	E	93.9	Very high	93.9	Very high	92 Å²	92	95 Å²	95	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-47.2	171.4	-68.3	167.9	170.1	0	0	111.2	I124 H125 V126 T131 H132	I124-E128 HydrophobicContact CG2-CG 4.5Å; I124-E128 WeakPolarHBondContact O-CG 3.48Å; I124-E128 PolarHBondContact O-N 3.22Å; H125-E128 WeakPolarHBondContact CA-OE2 3.31Å; H125-E128 IonicContact CE1-OE2 2.66Å; H125-E128 IonicContact CG-OE2 3.22Å; H125-E128 IonicContact ND1-OE2 2.66Å; H125-E128 PolarHBondContact ND1-OE2 3.07Å; H125-E128 PolarHBondContact O-N 3.02Å; V126-E128 PolarHBondContact O-N 2.83Å; E128-T131 PolarHBondContact O-N 2.75Å; E128-T131 PolarHBondContact O-OG1 3.37Å; E128-H132 WeakPolarHBondContact O-CB 3.29Å; E128-H132 PolarHBondContact O-N 2.9Å
129	L	94	Very high	93.8	Very high	97 Å²	97	94.9 Å²	94.9	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-34.3	178.2	-70.8	172.4	0	0	0	113.2	H125 V126 G133	H125-L129 WeakPolarHBondContact O-CB 3.47Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.49Å; H125-L129 PolarHBondContact O-N 3.15Å; V126-L129 PolarHBondContact O-N 3.4Å; L129-G133 PolarHBondContact O-N 3.3Å
130	E	93.3	Very high	93.8	Very high	118 Å²	118	96.1 Å²	96.1	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-51.1	172.3	-75.4	171.4	158.9	0	0	110.3	V126 Q127 H132 G133 E134	V126-E130 HydrophobicContact CG1-CG 4.31Å; V126-E130 WeakPolarHBondContact O-CB 3.43Å; V126-E130 VanDerWaalsContact O-CG 3.31Å; V126-E130 WeakPolarHBondContact O-CG 3.45Å; V126-E130 PolarHBondContact O-N 3.37Å; Q127-E130 PolarHBondContact O-N 3.06Å; E130-H132 PolarHBondContact O-N 3.3Å; E130-G133 CarbonylContact O-C 3.59Å; E130-G133 WeakPolarHBondContact O-CA 3.21Å; E130-G133 PolarHBondContact O-N 3.45Å; E130-E134 PolarHBondContact O-N 2.92Å
131	T	91.8	Very high	93.7	Very high	76 Å²	76	96.4 Å²	96.4	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-42.7	177.8	54.3	0	0	0	0	112.9	Q127 E128 G133 E134 E135	Q127-T131 WeakPolarHBondContact O-CG2 3.45Å; Q127-T131 PolarHBondContact O-N 3.38Å; Q127-T131 PolarHBondContact O-OG1 2.94Å; E128-T131 PolarHBondContact O-N 2.75Å; E128-T131 PolarHBondContact O-OG1 3.37Å; T131-G133 PolarHBondContact O-N 2.94Å; T131-E134 PolarHBondContact O-N 3.16Å; T131-E135 WeakPolarHBondContact O-CG 3.48Å; T131-E135 PolarHBondContact O-N 3.23Å
132	H	91.7	Very high	93.8	Very high	92 Å²	92	100 Å²	100	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-21.3	172.4	-77.2	-37.9	0	0	0	113.1	E128 E130 E135 K136	E128-H132 WeakPolarHBondContact O-CB 3.29Å; E128-H132 PolarHBondContact O-N 2.9Å; E130-H132 PolarHBondContact O-N 3.3Å; H132-E135 IonicContact CE1-OE2 3.56Å; H132-E135 IonicContact CG-OE2 3.32Å; H132-E135 IonicContact ND1-OE2 2.76Å; H132-E135 PolarHBondContact ND1-OE2 2.94Å; H132-K136 WeakPolarHBondContact O-CB 3.32Å; H132-K136 WeakPolarHBondContact O-CD 3.42Å; H132-K136 WeakPolarHBondContact O-CG 3.42Å; H132-K136 PolarHBondContact O-N 2.96Å
133	G	91.6	Very high	93.7	Very high	36 Å²	36	98.7 Å²	98.7	37%	0.371	49%	0.492	S	S	.	.	H	α-helix	trans	-71.4	-48.4	170.1	0	0	0	0	0	111.6	L129 E130 T131 K136 E137	L129-G133 PolarHBondContact O-N 3.3Å; E130-G133 CarbonylContact O-C 3.59Å; E130-G133 WeakPolarHBondContact O-CA 3.21Å; E130-G133 PolarHBondContact O-N 3.45Å; T131-G133 PolarHBondContact O-N 2.94Å; G133-K136 PolarHBondContact O-N 2.89Å; G133-E137 PolarHBondContact O-N 2.89Å
134	E	92.7	Very high	93.7	Very high	137 Å²	137	95.5 Å²	95.5	64%	0.64	48%	0.484	S	S	*	.	H	α-helix	trans	-59.8	-47	174.8	-66.7	-174.5	164.1	0	0	111.6	E130 T131 K136 E137 T138	E130-E134 PolarHBondContact O-N 2.92Å; T131-E134 PolarHBondContact O-N 3.16Å; E134-K136 VanDerWaalsContact C-N 3.35Å; E134-K136 PolarHBondContact O-N 3.15Å; E134-E137 PolarHBondContact O-N 2.98Å; E134-E137 VanDerWaalsContact O-N 3.15Å; E134-T138 WeakPolarHBondContact O-CG2 3.17Å; E134-T138 PolarHBondContact O-N 2.87Å
135	E	92.7	Very high	93.7	Very high	109 Å²	109	97.3 Å²	97.3	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-53.3	-50.4	174.8	-75	-178.2	145.1	0	0	111.7	T131 H132 E137 T138 V139	T131-E135 WeakPolarHBondContact O-CG 3.48Å; T131-E135 PolarHBondContact O-N 3.23Å; H132-E135 IonicContact CE1-OE2 3.56Å; H132-E135 IonicContact CG-OE2 3.32Å; H132-E135 IonicContact ND1-OE2 2.76Å; H132-E135 PolarHBondContact ND1-OE2 2.94Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.42Å; E135-T138 PolarHBondContact O-N 3.37Å; E135-T138 PolarHBondContact O-OG1 3.32Å; E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 2.91Å
136	K	93.6	Very high	93.8	Very high	145 Å²	145	98 Å²	98	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-62.5	-38.1	178.9	-74	166	-167.3	160.8	0	112.2	H132 G133 E134 V139 K140	H132-K136 WeakPolarHBondContact O-CB 3.32Å; H132-K136 WeakPolarHBondContact O-CD 3.42Å; H132-K136 WeakPolarHBondContact O-CG 3.42Å; H132-K136 PolarHBondContact O-N 2.96Å; G133-K136 PolarHBondContact O-N 2.89Å; E134-K136 VanDerWaalsContact C-N 3.35Å; E134-K136 PolarHBondContact O-N 3.15Å; K136-V139 PolarHBondContact O-N 2.67Å; K136-K140 VanDerWaalsContact O-CB 3.29Å; K136-K140 WeakPolarHBondContact O-CB 3.31Å; K136-K140 PolarHBondContact O-N 3.23Å
137	E	92.7	Very high	93.8	Very high	83 Å²	83	98.6 Å²	98.6	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-68.8	-39.2	176.3	-168.3	59	-150.5	0	0	111.6	G133 E134 E135 V139 K140 L141	G133-E137 PolarHBondContact O-N 2.89Å; E134-E137 PolarHBondContact O-N 2.98Å; E134-E137 VanDerWaalsContact O-N 3.15Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.42Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 2.62Å; E137-K140 PolarHBondContact O-N 2.94Å; E137-K140 IonicContact OE1-NZ 3.87Å; E137-K140 PolarHBondContact OE1-NZ 3.11Å; E137-K140 IonicContact OE2-NZ 3.12Å; E137-K140 PolarHBondContact OE2-NZ 3.47Å; E137-L141 WeakPolarHBondContact O-CG 3.19Å; E137-L141 PolarHBondContact O-N 3.48Å
138	T	93.9	Very high	93.9	Very high	66 Å²	66	97.1 Å²	97.1	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-34.5	173.5	70.6	0	0	0	0	113	E134 E135 K142	E134-T138 WeakPolarHBondContact O-CG2 3.17Å; E134-T138 PolarHBondContact O-N 2.87Å; E135-T138 PolarHBondContact O-N 3.37Å; E135-T138 PolarHBondContact O-OG1 3.32Å; T138-K142 VanDerWaalsContact O-CG 3.31Å; T138-K142 WeakPolarHBondContact O-CG 3.43Å; T138-K142 PolarHBondContact O-N 2.97Å; T138-K142 VanDerWaalsContact O-N 3.09Å
139	V	93.8	Very high	93.9	Very high	78 Å²	78	96.5 Å²	96.5	47%	0.473	49%	0.489	S	S	.	.	H	α-helix	trans	-68.1	-43.3	173.2	171.2	0	0	0	0	110.6	E135 K136 E137 L141 K142 L143	E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 2.91Å; K136-V139 PolarHBondContact O-N 2.67Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 2.62Å; V139-L141 VanDerWaalsContact C-N 3.35Å; V139-L141 PolarHBondContact O-N 3.33Å; V139-K142 PolarHBondContact O-N 3.44Å; V139-L143 HydrophobicContact CG1-CD1 3.9Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 2.84Å
140	K	94.3	Very high	94	Very high	111 Å²	111	96.3 Å²	96.3	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-39.8	174.6	165.9	165.6	160.2	-93.3	0	112.5	K136 E137 T144	K136-K140 VanDerWaalsContact O-CB 3.29Å; K136-K140 WeakPolarHBondContact O-CB 3.31Å; K136-K140 PolarHBondContact O-N 3.23Å; E137-K140 PolarHBondContact O-N 2.94Å; E137-K140 IonicContact OE1-NZ 3.87Å; E137-K140 PolarHBondContact OE1-NZ 3.11Å; E137-K140 IonicContact OE2-NZ 3.12Å; E137-K140 PolarHBondContact OE2-NZ 3.47Å; K140-T144 WeakPolarHBondContact O-CB 3.35Å; K140-T144 PolarHBondContact O-N 3.08Å; K140-T144 PolarHBondContact O-OG1 3.48Å
141	L	94.4	Very high	94.1	Very high	93 Å²	93	96.9 Å²	96.9	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-51.6	173.3	-73.3	169.4	0	0	0	111.4	E137 V139 L143 T144 E145	E137-L141 WeakPolarHBondContact O-CG 3.19Å; E137-L141 PolarHBondContact O-N 3.48Å; V139-L141 VanDerWaalsContact C-N 3.35Å; V139-L141 PolarHBondContact O-N 3.33Å; L141-L143 PolarHBondContact O-N 3.04Å; L141-T144 WeakPolarHBondContact O-CA 3.36Å; L141-T144 WeakPolarHBondContact O-CB 3.41Å; L141-T144 PolarHBondContact O-N 3.4Å; L141-E145 WeakPolarHBondContact O-CG 3.3Å; L141-E145 PolarHBondContact O-N 3.29Å
142	K	95.7	Very high	94.2	Very high	133 Å²	133	99 Å²	99	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-56.9	-44.5	177.5	-71.8	165.5	-177	167.2	0	112.7	T138 V139 T144 E145 E146	T138-K142 VanDerWaalsContact O-CG 3.31Å; T138-K142 WeakPolarHBondContact O-CG 3.43Å; T138-K142 PolarHBondContact O-N 2.97Å; T138-K142 VanDerWaalsContact O-N 3.09Å; V139-K142 PolarHBondContact O-N 3.44Å; K142-T144 VanDerWaalsContact C-N 3.31Å; K142-T144 PolarHBondContact O-N 3.37Å; K142-E145 PolarHBondContact O-N 3.42Å; K142-E146 PolarHBondContact O-N 3.44Å
143	L	95.1	Very high	94.3	Very high	90 Å²	90	100.1 Å²	100.1	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-34.4	175.6	-71.1	170.3	0	0	0	112.2	V139 L141 E146 I147	V139-L143 HydrophobicContact CG1-CD1 3.9Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 2.84Å; L141-L143 PolarHBondContact O-N 3.04Å; L143-E146 PolarHBondContact O-N 3.26Å; L143-I147 WeakPolarHBondContact O-CB 3.35Å; L143-I147 WeakPolarHBondContact O-CD1 3.47Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.42Å
144	T	95.3	Very high	94.5	Very high	67 Å²	67	103.2 Å²	103.2	41%	0.411	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-40.6	175.7	-57.9	0	0	0	0	111.4	K140 L141 K142 I147 N148	K140-T144 WeakPolarHBondContact O-CB 3.35Å; K140-T144 PolarHBondContact O-N 3.08Å; K140-T144 PolarHBondContact O-OG1 3.48Å; L141-T144 WeakPolarHBondContact O-CA 3.36Å; L141-T144 WeakPolarHBondContact O-CB 3.41Å; L141-T144 PolarHBondContact O-N 3.4Å; K142-T144 VanDerWaalsContact C-N 3.31Å; K142-T144 PolarHBondContact O-N 3.37Å; T144-I147 PolarHBondContact O-N 3.01Å; T144-N148 WeakPolarHBondContact O-CB 3.48Å; T144-N148 PolarHBondContact O-N 2.91Å; T144-N148 PolarHBondContact O-ND2 3.36Å
145	E	95.2	Very high	94.6	Very high	133 Å²	133	99.4 Å²	99.4	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-44.9	172.8	-69.3	174.8	163.3	0	0	111.5	L141 K142 N148 L149	L141-E145 WeakPolarHBondContact O-CG 3.3Å; L141-E145 PolarHBondContact O-N 3.29Å; K142-E145 PolarHBondContact O-N 3.42Å; E145-N148 PolarHBondContact O-N 3.24Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.49Å
146	E	95.6	Very high	94.7	Very high	109 Å²	109	98.4 Å²	98.4	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-45.4	175.9	-176.6	171.1	-159	0	0	112.2	K142 L143 N148 L149 L150	K142-E146 PolarHBondContact O-N 3.44Å; L143-E146 PolarHBondContact O-N 3.26Å; E146-N148 VanDerWaalsContact C-N 3.28Å; E146-N148 PolarHBondContact O-N 3.41Å; E146-L149 PolarHBondContact O-N 3.09Å; E146-L150 HydrophobicContact CG-CD1 3.98Å; E146-L150 HydrophobicContact CG-CG 4.37Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 VanDerWaalsContact O-CG 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.47Å; E146-L150 PolarHBondContact O-N 3.46Å
147	I	94.9	Very high	94.7	Very high	87 Å²	87	93.7 Å²	93.7	45%	0.446	48%	0.475	S	S	.	.	H	α-helix	trans	-58.9	-40.3	175.1	-74.5	165.1	0	0	0	111.2	L143 T144 L150 K151	L143-I147 WeakPolarHBondContact O-CB 3.35Å; L143-I147 WeakPolarHBondContact O-CD1 3.47Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.42Å; T144-I147 PolarHBondContact O-N 3.01Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-K151 HydrophobicContact CG2-CD 4.22Å; I147-K151 VanDerWaalsContact O-CG 3.3Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.5Å
148	N	95.6	Very high	94.8	Very high	87 Å²	87	94.9 Å²	94.9	47%	0.465	48%	0.48	S	S	.	.	H	α-helix	trans	-70.1	-39.8	177.8	-70.9	-25.7	0	0	0	112	T144 E145 E146 K151 Q152	T144-N148 WeakPolarHBondContact O-CB 3.48Å; T144-N148 PolarHBondContact O-N 2.91Å; T144-N148 PolarHBondContact O-ND2 3.36Å; E145-N148 PolarHBondContact O-N 3.24Å; E146-N148 VanDerWaalsContact C-N 3.28Å; E146-N148 PolarHBondContact O-N 3.41Å; N148-K151 PolarHBondContact O-N 3.32Å; N148-Q152 PolarHBondContact O-N 3.46Å
149	L	95.2	Very high	94.9	Very high	80 Å²	80	96.5 Å²	96.5	42%	0.419	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-38.9	173.3	180	63.3	0	0	0	112.1	E145 E146 Q152 K153	E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.49Å; E146-L149 PolarHBondContact O-N 3.09Å; L149-Q152 PolarHBondContact O-N 2.86Å; L149-K153 HydrophobicContact CG-CD 4.4Å; L149-K153 WeakPolarHBondContact O-CG 3.3Å; L149-K153 PolarHBondContact O-N 3.2Å
150	L	94.7	Very high	94.9	Very high	93 Å²	93	97.9 Å²	97.9	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-68.6	-40.8	176	-72.2	171.4	0	0	0	111.9	E146 I147 Q152 K153 L154	E146-L150 HydrophobicContact CG-CD1 3.98Å; E146-L150 HydrophobicContact CG-CG 4.37Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 VanDerWaalsContact O-CG 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.47Å; E146-L150 PolarHBondContact O-N 3.46Å; I147-L150 PolarHBondContact O-N 2.98Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 2.92Å; L150-K153 PolarHBondContact O-N 3.5Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 3.49Å
151	K	95.1	Very high	94.9	Very high	129 Å²	129	100.5 Å²	100.5	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-60.1	-42.6	171.5	-75.1	169.9	-179.2	174.2	0	112.2	I147 N148 L154 S155	I147-K151 HydrophobicContact CG2-CD 4.22Å; I147-K151 VanDerWaalsContact O-CG 3.3Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.5Å; N148-K151 PolarHBondContact O-N 3.32Å; K151-L154 PolarHBondContact O-N 3.27Å; K151-S155 PolarHBondContact O-N 3.04Å
152	Q	94	Very high	94.9	Very high	120 Å²	120	100 Å²	100	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-44.7	176	-170.4	-175.9	18.5	0	0	111.5	N148 L149 L150 L154 S155 I156	N148-Q152 PolarHBondContact O-N 3.46Å; L149-Q152 PolarHBondContact O-N 2.86Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 2.92Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.22Å; Q152-S155 PolarHBondContact O-N 2.71Å; Q152-I156 HydrophobicContact CG-CD1 4.07Å; Q152-I156 VanDerWaalsContact O-CG1 3.32Å; Q152-I156 WeakPolarHBondContact O-CG1 3.46Å; Q152-I156 PolarHBondContact O-N 3.28Å
153	K	95.2	Very high	94.8	Very high	117 Å²	117	97.9 Å²	97.9	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-37.9	175.5	-74	169.9	179.4	174.7	0	112.6	L149 L150 S157	L149-K153 HydrophobicContact CG-CD 4.4Å; L149-K153 WeakPolarHBondContact O-CG 3.3Å; L149-K153 PolarHBondContact O-N 3.2Å; L150-K153 PolarHBondContact O-N 3.5Å; K153-S157 PolarHBondContact O-N 3.1Å
154	L	94.2	Very high	94.7	Very high	100 Å²	100	97.2 Å²	97.2	52%	0.524	49%	0.492	S	S	.	.	H	α-helix	trans	-64	-50.7	175.8	-179.6	60.6	0	0	0	111.2	L150 K151 Q152 I156 S157 E158	L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 3.49Å; K151-L154 PolarHBondContact O-N 3.27Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.22Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.01Å; L154-S157 CarbonylContact O-C 3.51Å; L154-S157 WeakPolarHBondContact O-CA 3.46Å; L154-S157 WeakPolarHBondContact O-CB 3.32Å; L154-S157 PolarHBondContact O-N 3.41Å; L154-E158 HydrophobicContact CD1-CG 4.38Å; L154-E158 WeakPolarHBondContact O-CG 3.08Å; L154-E158 PolarHBondContact O-N 2.91Å
155	S	95.2	Very high	94.7	Very high	57 Å²	57	96.6 Å²	96.6	40%	0.399	49%	0.493	S	S	.	.	H	α-helix	trans	-55.3	-46.3	176.5	-174	0	0	0	0	112.1	K151 Q152 S157 E158 D159	K151-S155 PolarHBondContact O-N 3.04Å; Q152-S155 PolarHBondContact O-N 2.71Å; S155-S157 VanDerWaalsContact C-N 3.27Å; S155-S157 PolarHBondContact O-N 3.38Å; S155-E158 PolarHBondContact O-N 2.83Å; S155-E158 VanDerWaalsContact O-N 3.15Å; S155-D159 PolarHBondContact O-N 2.92Å
156	I	95.1	Very high	94.7	Very high	88 Å²	88	94.4 Å²	94.4	45%	0.451	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-35.1	176.8	-67.2	165.6	0	0	0	111.2	Q152 L154 L160	Q152-I156 HydrophobicContact CG-CD1 4.07Å; Q152-I156 VanDerWaalsContact O-CG1 3.32Å; Q152-I156 WeakPolarHBondContact O-CG1 3.46Å; Q152-I156 PolarHBondContact O-N 3.28Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.01Å; I156-L160 HydrophobicContact CG2-CD1 4.21Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.48Å; I156-L160 VanDerWaalsContact O-N 3.11Å
157	S	94.2	Very high	94.7	Very high	47 Å²	47	94.4 Å²	94.4	33%	0.329	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-36.7	174.9	-167.2	0	0	0	0	112.4	K153 L154 S155 L160 Y161	K153-S157 PolarHBondContact O-N 3.1Å; L154-S157 CarbonylContact O-C 3.51Å; L154-S157 WeakPolarHBondContact O-CA 3.46Å; L154-S157 WeakPolarHBondContact O-CB 3.32Å; L154-S157 PolarHBondContact O-N 3.41Å; S155-S157 VanDerWaalsContact C-N 3.27Å; S155-S157 PolarHBondContact O-N 3.38Å; S157-L160 PolarHBondContact O-N 3.49Å; S157-Y161 WeakPolarHBondContact O-CD2 3.34Å; S157-Y161 PolarHBondContact O-N 3.27Å; S157-Y161 WeakPolarHBondContact OG-CE2 3.48Å
158	E	94.8	Very high	94.7	Very high	107 Å²	107	96.3 Å²	96.3	50%	0.5	50%	0.496	S	S	.	.	H	α-helix	trans	-67.7	-42	176.9	-70.6	171.5	166.5	0	0	111.2	L154 S155 L160 Y161 T162	L154-E158 HydrophobicContact CD1-CG 4.38Å; L154-E158 WeakPolarHBondContact O-CG 3.08Å; L154-E158 PolarHBondContact O-N 2.91Å; S155-E158 PolarHBondContact O-N 2.83Å; S155-E158 VanDerWaalsContact O-N 3.15Å; E158-L160 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 3.23Å; E158-Y161 PolarHBondContact O-N 3.34Å; E158-T162 WeakPolarHBondContact O-CG2 3.43Å; E158-T162 PolarHBondContact O-N 2.96Å; E158-T162 PolarHBondContact O-OG1 3.36Å
159	D	94.9	Very high	94.6	Very high	100 Å²	100	98 Å²	98	54%	0.535	50%	0.501	S	S	.	.	H	α-helix	trans	-58.3	-44.4	171.3	-68.6	-33.8	0	0	0	111.4	S155 T162 E163	S155-D159 PolarHBondContact O-N 2.92Å; D159-T162 PolarHBondContact O-N 3.47Å; D159-T162 PolarHBondContact O-OG1 2.9Å; D159-E163 WeakPolarHBondContact O-CB 3.48Å; D159-E163 PolarHBondContact O-N 3.18Å
160	L	94.7	Very high	94.6	Very high	107 Å²	107	96.4 Å²	96.4	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-67	-34.9	176.1	-71.7	169.4	0	0	0	113	I156 S157 E158 T164	I156-L160 HydrophobicContact CG2-CD1 4.21Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.48Å; I156-L160 VanDerWaalsContact O-N 3.11Å; S157-L160 PolarHBondContact O-N 3.49Å; E158-L160 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 3.23Å; L160-T164 WeakPolarHBondContact O-CB 3.37Å; L160-T164 WeakPolarHBondContact O-CG2 3.42Å; L160-T164 PolarHBondContact O-N 3.45Å; L160-T164 PolarHBondContact O-OG1 3.47Å
161	Y	93.2	Very high	94.6	Very high	167 Å²	167	93.9 Å²	93.9	66%	0.655	49%	0.489	S	S	*	.	H	α-helix	trans	-68.8	-40.2	174.1	-83.7	-59.9	0	0	0	112.3	S157 E158 T164 A165	S157-Y161 WeakPolarHBondContact O-CD2 3.34Å; S157-Y161 PolarHBondContact O-N 3.27Å; S157-Y161 WeakPolarHBondContact OG-CE2 3.48Å; E158-Y161 PolarHBondContact O-N 3.34Å; Y161-T164 WeakPolarHBondContact CA-OG1 3.42Å; Y161-T164 PolarHBondContact O-OG1 2.9Å; Y161-A165 WeakPolarHBondContact O-CB 3.32Å; Y161-A165 PolarHBondContact O-N 3.02Å
162	T	94.6	Very high	94.5	Very high	81 Å²	81	92.4 Å²	92.4	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-69.1	-41.5	176.7	57.7	0	0	0	0	111.8	E158 D159 A165 N166	E158-T162 WeakPolarHBondContact O-CG2 3.43Å; E158-T162 PolarHBondContact O-N 2.96Å; E158-T162 PolarHBondContact O-OG1 3.36Å; D159-T162 PolarHBondContact O-N 3.47Å; D159-T162 PolarHBondContact O-OG1 2.9Å; T162-A165 PolarHBondContact O-N 3.32Å; T162-N166 PolarHBondContact O-N 3.44Å; T162-N166 PolarHBondContact O-ND2 2.97Å
163	E	94.1	Very high	94.6	Very high	90 Å²	90	92 Å²	92	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-65.5	-42.2	175.9	175.9	53.8	-163.9	0	0	112.3	D159 A165 N166 Q167	D159-E163 WeakPolarHBondContact O-CB 3.48Å; D159-E163 PolarHBondContact O-N 3.18Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.3Å; E163-N166 WeakPolarHBondContact O-CB 3.35Å; E163-N166 PolarHBondContact O-N 3.34Å; E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 3.42Å; E163-Q167 WeakPolarHBondContact OE1-CG 3.49Å; E163-Q167 PolarHBondContact OE1-NE2 3.35Å
164	T	93.8	Very high	94.6	Very high	76 Å²	76	92.6 Å²	92.6	47%	0.466	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-33.1	175.1	50.1	0	0	0	0	112.7	L160 Y161 L168	L160-T164 WeakPolarHBondContact O-CB 3.37Å; L160-T164 WeakPolarHBondContact O-CG2 3.42Å; L160-T164 PolarHBondContact O-N 3.45Å; L160-T164 PolarHBondContact O-OG1 3.47Å; Y161-T164 WeakPolarHBondContact CA-OG1 3.42Å; Y161-T164 PolarHBondContact O-OG1 2.9Å; T164-L168 WeakPolarHBondContact O-CB 3.46Å; T164-L168 PolarHBondContact O-N 2.89Å
165	A	93.8	Very high	94.6	Very high	54 Å²	54	92.7 Å²	92.7	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-43.2	170.6	0	0	0	0	0	112.4	Y161 T162 E163 Q167 L168 Q169	Y161-A165 WeakPolarHBondContact O-CB 3.32Å; Y161-A165 PolarHBondContact O-N 3.02Å; T162-A165 PolarHBondContact O-N 3.32Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.3Å; A165-Q167 PolarHBondContact O-N 2.99Å; A165-L168 PolarHBondContact O-N 3Å; A165-Q169 WeakPolarHBondContact O-CB 3.49Å; A165-Q169 PolarHBondContact O-N 3.49Å
166	N	95.6	Very high	94.5	Very high	87 Å²	87	93.3 Å²	93.3	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.1	-68.4	-28.2	0	0	0	111.6	T162 E163 Q169 S170	T162-N166 PolarHBondContact O-N 3.44Å; T162-N166 PolarHBondContact O-ND2 2.97Å; E163-N166 WeakPolarHBondContact O-CB 3.35Å; E163-N166 PolarHBondContact O-N 3.34Å; N166-Q169 PolarHBondContact O-N 2.97Å; N166-S170 WeakPolarHBondContact O-CB 3.45Å; N166-S170 PolarHBondContact O-N 3.36Å
167	Q	95.2	Very high	94.5	Very high	109 Å²	109	92.6 Å²	92.6	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.4	-71.4	179.4	18.1	0	0	111.9	E163 A165 S170 A171	E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 3.42Å; E163-Q167 WeakPolarHBondContact OE1-CG 3.49Å; E163-Q167 PolarHBondContact OE1-NE2 3.35Å; A165-Q167 PolarHBondContact O-N 2.99Å; Q167-S170 WeakPolarHBondContact O-CB 3.33Å; Q167-S170 PolarHBondContact O-N 3.38Å; Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.89Å
168	L	94.5	Very high	94.5	Very high	126 Å²	126	96.6 Å²	96.6	66%	0.66	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-42.6	175.7	-179.2	61.1	0	0	0	111.8	T164 A165 A171 L172	T164-L168 WeakPolarHBondContact O-CB 3.46Å; T164-L168 PolarHBondContact O-N 2.89Å; A165-L168 PolarHBondContact O-N 3Å; L168-A171 PolarHBondContact O-N 3.02Å; L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 PolarHBondContact O-N 3.42Å
169	Q	94.9	Very high	94.6	Very high	122 Å²	122	98.4 Å²	98.4	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-42.1	175	-168.4	-179.7	15.2	0	0	111.6	A165 N166 A171 L172 L173	A165-Q169 WeakPolarHBondContact O-CB 3.49Å; A165-Q169 PolarHBondContact O-N 3.49Å; N166-Q169 PolarHBondContact O-N 2.97Å; Q169-A171 PolarHBondContact O-N 3.06Å; Q169-L172 PolarHBondContact O-N 3.4Å; Q169-L173 WeakPolarHBondContact O-CG 3.42Å; Q169-L173 PolarHBondContact O-N 3.01Å
170	S	94.7	Very high	94.6	Very high	47 Å²	47	99.4 Å²	99.4	33%	0.329	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-42.5	173.9	-170.7	0	0	0	0	112	N166 Q167 K174	N166-S170 WeakPolarHBondContact O-CB 3.45Å; N166-S170 PolarHBondContact O-N 3.36Å; Q167-S170 WeakPolarHBondContact O-CB 3.33Å; Q167-S170 PolarHBondContact O-N 3.38Å; S170-K174 WeakPolarHBondContact O-CD 3.34Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.38Å; S170-K174 PolarHBondContact O-N 2.91Å; S170-K174 VanDerWaalsContact O-N 3.1Å; S170-K174 PolarHBondContact OG-NZ 3.15Å
171	A	94.1	Very high	94.6	Very high	40 Å²	40	100.1 Å²	100.1	33%	0.331	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.5	0	0	0	0	0	111.9	Q167 L168 Q169 L173 K174 I175	Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.89Å; L168-A171 PolarHBondContact O-N 3.02Å; Q169-A171 PolarHBondContact O-N 3.06Å; A171-L173 PolarHBondContact O-N 3.21Å; A171-K174 PolarHBondContact O-N 2.95Å; A171-I175 WeakPolarHBondContact O-CG1 3.4Å; A171-I175 PolarHBondContact O-N 3.4Å
172	L	94.6	Very high	94.6	Very high	98 Å²	98	95.8 Å²	95.8	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-42.1	177	-173.8	66.9	0	0	0	112	L168 Q169 I175 N176	L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 PolarHBondContact O-N 3.42Å; Q169-L172 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 2.91Å; L172-N176 WeakPolarHBondContact O-CB 3.42Å; L172-N176 PolarHBondContact O-N 3.16Å; L172-N176 PolarHBondContact O-ND2 3.42Å
173	L	95.1	Very high	94.6	Very high	113 Å²	113	99.4 Å²	99.4	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-40.1	175	-70.9	171.2	0	0	0	112.3	Q169 A171 N176 S177	Q169-L173 WeakPolarHBondContact O-CG 3.42Å; Q169-L173 PolarHBondContact O-N 3.01Å; A171-L173 PolarHBondContact O-N 3.21Å; L173-N176 PolarHBondContact O-N 3.3Å; L173-S177 PolarHBondContact O-N 2.97Å; L173-S177 PolarHBondContact O-OG 2.76Å
174	K	95	Very high	94.7	Very high	128 Å²	128	99 Å²	99	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-64.7	-41.8	174.5	-71.7	160.4	-178.5	154.4	0	112.2	S170 A171 S177 Q178	S170-K174 WeakPolarHBondContact O-CD 3.34Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.38Å; S170-K174 PolarHBondContact O-N 2.91Å; S170-K174 VanDerWaalsContact O-N 3.1Å; S170-K174 PolarHBondContact OG-NZ 3.15Å; A171-K174 PolarHBondContact O-N 2.95Å; K174-S177 PolarHBondContact O-OG 3.45Å; K174-S177 VanDerWaalsContact O-OG 3.09Å; K174-Q178 WeakPolarHBondContact O-CB 3.37Å; K174-Q178 PolarHBondContact O-N 3.31Å
175	I	94.2	Very high	94.7	Very high	102 Å²	102	102.2 Å²	102.2	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.9	-70.2	165.7	0	0	0	110.5	A171 L172 Q178 K179	A171-I175 WeakPolarHBondContact O-CG1 3.4Å; A171-I175 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 2.91Å; I175-Q178 PolarHBondContact O-N 3.11Å; I175-K179 VanDerWaalsContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 PolarHBondContact O-N 2.88Å
176	N	94.2	Very high	94.8	Very high	71 Å²	71	104.5 Å²	104.5	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178.7	-78.6	-33.6	0	0	0	112.9	L172 L173 K179 L180	L172-N176 WeakPolarHBondContact O-CB 3.42Å; L172-N176 PolarHBondContact O-N 3.16Å; L172-N176 PolarHBondContact O-ND2 3.42Å; L173-N176 PolarHBondContact O-N 3.3Å; N176-K179 PolarHBondContact O-N 3.23Å; N176-L180 WeakPolarHBondContact O-CG 3.37Å; N176-L180 PolarHBondContact O-N 3.5Å
177	S	94.3	Very high	94.9	Very high	72 Å²	72	102.4 Å²	102.4	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-38.4	175.5	65.1	0	0	0	0	112.2	L173 K174 K179 L180 F181	L173-S177 PolarHBondContact O-N 2.97Å; L173-S177 PolarHBondContact O-OG 2.76Å; K174-S177 PolarHBondContact O-OG 3.45Å; K174-S177 VanDerWaalsContact O-OG 3.09Å; S177-K179 PolarHBondContact O-N 2.97Å; S177-L180 PolarHBondContact O-N 2.9Å; S177-F181 WeakPolarHBondContact O-CB 3.29Å; S177-F181 PolarHBondContact O-N 3.22Å
178	Q	95	Very high	94.9	Very high	131 Å²	131	105 Å²	105	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-40.8	172.1	-175.7	173.1	-13.2	0	0	112	K174 I175 F181 T182	K174-Q178 WeakPolarHBondContact O-CB 3.37Å; K174-Q178 PolarHBondContact O-N 3.31Å; I175-Q178 PolarHBondContact O-N 3.11Å; Q178-F181 PolarHBondContact O-N 2.99Å; Q178-T182 WeakPolarHBondContact O-CG2 3.46Å; Q178-T182 PolarHBondContact O-N 3.32Å; Q178-T182 PolarHBondContact O-OG1 3.4Å
179	K	95.1	Very high	94.9	Very high	145 Å²	145	101.2 Å²	101.2	63%	0.63	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-37.6	176	-178.2	179.2	178.7	-179.6	0	112.8	I175 N176 S177 T182 K183	I175-K179 VanDerWaalsContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 PolarHBondContact O-N 2.88Å; N176-K179 PolarHBondContact O-N 3.23Å; S177-K179 PolarHBondContact O-N 2.97Å; K179-T182 PolarHBondContact O-OG1 2.99Å; K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 2.9Å; K179-K183 VanDerWaalsContact O-N 3.14Å
180	L	95.1	Very high	95	Very high	121 Å²	121	100.7 Å²	100.7	63%	0.634	50%	0.5	S	S	*	.	H	α-helix	trans	-67.6	-44.7	173	-71.3	169.4	0	0	0	111.2	N176 S177 T182 K183 E184	N176-L180 WeakPolarHBondContact O-CG 3.37Å; N176-L180 PolarHBondContact O-N 3.5Å; S177-L180 PolarHBondContact O-N 2.9Å; L180-T182 PolarHBondContact O-N 2.87Å; L180-K183 PolarHBondContact O-N 2.99Å; L180-E184 WeakPolarHBondContact O-CB 3.47Å; L180-E184 PolarHBondContact O-N 3.3Å
181	F	94.6	Very high	95	Very high	122 Å²	122	103.5 Å²	103.5	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-39.4	178.5	-179.5	-108.5	0	0	0	113.3	S177 Q178 E184 R185	S177-F181 WeakPolarHBondContact O-CB 3.29Å; S177-F181 PolarHBondContact O-N 3.22Å; Q178-F181 PolarHBondContact O-N 2.99Å; F181-E184 PolarHBondContact O-N 2.89Å; F181-R185 VanDerWaalsContact CE1-CD 3.49Å; F181-R185 HydrophobicContact CE1-CG 4.45Å; F181-R185 HydrophobicContact CZ-CG 4.36Å; F181-R185 WeakPolarHBondContact O-CG 3.41Å; F181-R185 PolarHBondContact O-N 3.28Å
182	T	93.7	Very high	95	Very high	76 Å²	76	108.5 Å²	108.5	47%	0.466	52%	0.522	S	S	.	.	H	α-helix	trans	-70.2	-38.7	175.2	53.2	0	0	0	0	112.2	Q178 K179 L180 E184 R185 L186	Q178-T182 WeakPolarHBondContact O-CG2 3.46Å; Q178-T182 PolarHBondContact O-N 3.32Å; Q178-T182 PolarHBondContact O-OG1 3.4Å; K179-T182 PolarHBondContact O-OG1 2.99Å; L180-T182 PolarHBondContact O-N 2.87Å; T182-E184 VanDerWaalsContact C-N 3.34Å; T182-E184 PolarHBondContact O-N 2.75Å; T182-R185 PolarHBondContact O-N 3.26Å; T182-L186 WeakPolarHBondContact O-CB 3.48Å; T182-L186 PolarHBondContact O-N 2.94Å
183	K	95.7	Very high	95.1	Very high	157 Å²	157	108.1 Å²	108.1	68%	0.683	52%	0.519	S	S	*	.	H	α-helix	trans	-59.9	-43.2	172.7	-173.6	-178.8	178.9	-175.3	0	111.8	K179 L180 L186 S187	K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 2.9Å; K179-K183 VanDerWaalsContact O-N 3.14Å; L180-K183 PolarHBondContact O-N 2.99Å; K183-L186 PolarHBondContact O-N 3.45Å; K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 3.32Å
184	E	95.4	Very high	95.1	Very high	81 Å²	81	108 Å²	108	38%	0.379	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-41.4	177.3	175.2	60.1	-176.5	0	0	112.2	L180 F181 T182 L186 S187 R188	L180-E184 WeakPolarHBondContact O-CB 3.47Å; L180-E184 PolarHBondContact O-N 3.3Å; F181-E184 PolarHBondContact O-N 2.89Å; T182-E184 VanDerWaalsContact C-N 3.34Å; T182-E184 PolarHBondContact O-N 2.75Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.48Å; E184-S187 PolarHBondContact O-N 3.37Å; E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.17Å; E184-R188 IonicContact OE1-CZ 2.87Å; E184-R188 IonicContact OE1-NE 3.6Å; E184-R188 PolarHBondContact OE1-NE 3.49Å; E184-R188 IonicContact OE1-NH2 3.8Å; E184-R188 PolarHBondContact OE1-NH2 3.34Å
185	R	94	Very high	95.2	Very high	145 Å²	145	109 Å²	109	55%	0.547	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-38	173.5	-76.1	-178.8	63.2	149.2	0.2	112.7	F181 T182 S189	F181-R185 VanDerWaalsContact CE1-CD 3.49Å; F181-R185 HydrophobicContact CE1-CG 4.45Å; F181-R185 HydrophobicContact CZ-CG 4.36Å; F181-R185 WeakPolarHBondContact O-CG 3.41Å; F181-R185 PolarHBondContact O-N 3.28Å; T182-R185 PolarHBondContact O-N 3.26Å; R185-S189 PolarHBondContact O-N 2.88Å; R185-S189 VanDerWaalsContact O-N 3.09Å
186	L	96.2	Very high	95.3	Very high	102 Å²	102	109.3 Å²	109.3	53%	0.534	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-49	174.9	179.9	60.2	0	0	0	110.9	T182 K183 E184 R188 S189 Q190	T182-L186 WeakPolarHBondContact O-CB 3.48Å; T182-L186 PolarHBondContact O-N 2.94Å; K183-L186 PolarHBondContact O-N 3.45Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.48Å; L186-R188 PolarHBondContact O-N 3.14Å; L186-S189 WeakPolarHBondContact O-CB 3.3Å; L186-S189 PolarHBondContact O-N 3.42Å; L186-Q190 HydrophobicContact CD1-CG 4.24Å; L186-Q190 HydrophobicContact CG-CG 4.44Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.89Å
187	S	97	Very high	95.4	Very high	42 Å²	42	110.1 Å²	110.1	29%	0.294	52%	0.515	S	S	.	.	H	α-helix	trans	-52.6	-50.5	175	175.4	0	0	0	0	112.1	K183 E184 S189 Q190 N191	K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 3.32Å; E184-S187 PolarHBondContact O-N 3.37Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.44Å; S187-Q190 PolarHBondContact O-N 3Å; S187-N191 WeakPolarHBondContact O-CB 3.46Å; S187-N191 VanDerWaalsContact O-CG 3.26Å; S187-N191 PolarHBondContact O-N 2.96Å; S187-N191 PolarHBondContact O-ND2 2.88Å
188	R	94.7	Very high	95.4	Very high	165 Å²	165	110 Å²	110	62%	0.623	51%	0.514	S	S	*	.	H	α-helix	trans	-60.2	-37.8	176	-69.4	178.8	-169.7	-160.4	2.4	112.9	E184 L186 R192	E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.17Å; E184-R188 IonicContact OE1-CZ 2.87Å; E184-R188 IonicContact OE1-NE 3.6Å; E184-R188 PolarHBondContact OE1-NE 3.49Å; E184-R188 IonicContact OE1-NH2 3.8Å; E184-R188 PolarHBondContact OE1-NH2 3.34Å; L186-R188 PolarHBondContact O-N 3.14Å; R188-R192 WeakPolarHBondContact O-CB 3.35Å; R188-R192 PolarHBondContact O-N 3.01Å; R188-R192 VanDerWaalsContact O-N 3.1Å
189	S	95.2	Very high	95.4	Very high	46 Å²	46	107.7 Å²	107.7	32%	0.322	50%	0.503	S	S	.	.	H	α-helix	trans	-70	-41.4	177	-163.7	0	0	0	0	112.1	R185 L186 S187 R192 I193	R185-S189 PolarHBondContact O-N 2.88Å; R185-S189 VanDerWaalsContact O-N 3.09Å; L186-S189 WeakPolarHBondContact O-CB 3.3Å; L186-S189 PolarHBondContact O-N 3.42Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.44Å; S189-R192 PolarHBondContact O-N 3.34Å; S189-I193 VanDerWaalsContact O-CG1 3.31Å; S189-I193 WeakPolarHBondContact O-CG1 3.41Å; S189-I193 PolarHBondContact O-N 2.98Å
190	Q	96.4	Very high	95.4	Very high	111 Å²	111	107.2 Å²	107.2	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-47.7	175.4	-72	172.7	-52.3	0	0	111.2	L186 S187 R192 I193 Q194	L186-Q190 HydrophobicContact CD1-CG 4.24Å; L186-Q190 HydrophobicContact CG-CG 4.44Å; L186-Q190 WeakPolarHBondContact O-CG 3.4Å; L186-Q190 PolarHBondContact O-N 2.89Å; S187-Q190 PolarHBondContact O-N 3Å; Q190-R192 VanDerWaalsContact C-N 3.29Å; Q190-R192 PolarHBondContact O-N 3.09Å; Q190-I193 PolarHBondContact O-N 3.21Å; Q190-I193 VanDerWaalsContact O-N 3.14Å; Q190-Q194 PolarHBondContact O-N 3.1Å
191	N	95.5	Very high	95.4	Very high	105 Å²	105	104.2 Å²	104.2	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-60.1	-38.3	176.7	-68.5	-20.6	0	0	0	112.2	S187 W195	S187-N191 WeakPolarHBondContact O-CB 3.46Å; S187-N191 VanDerWaalsContact O-CG 3.26Å; S187-N191 PolarHBondContact O-N 2.96Å; S187-N191 PolarHBondContact O-ND2 2.88Å; N191-W195 WeakPolarHBondContact O-CB 3.47Å; N191-W195 PolarHBondContact O-N 2.93Å
192	R	95.3	Very high	95.4	Very high	146 Å²	146	100.6 Å²	100.6	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-68.6	-39.4	175	-171.9	179.5	63.6	163.8	0.4	112.5	R188 S189 Q190 W195 Y196	R188-R192 WeakPolarHBondContact O-CB 3.35Å; R188-R192 PolarHBondContact O-N 3.01Å; R188-R192 VanDerWaalsContact O-N 3.1Å; S189-R192 PolarHBondContact O-N 3.34Å; Q190-R192 VanDerWaalsContact C-N 3.29Å; Q190-R192 PolarHBondContact O-N 3.09Å; R192-W195 PolarHBondContact O-N 3.3Å; R192-Y196 HydrophobicContact CG-CD2 4.1Å; R192-Y196 HydrophobicContact CG-CE2 3.59Å; R192-Y196 WeakPolarHBondContact O-CD2 3.47Å; R192-Y196 PolarHBondContact O-N 3.48Å
193	I	95.7	Very high	95.5	Very high	90 Å²	90	102.4 Å²	102.4	46%	0.462	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-45.9	174.2	-70.8	163.8	0	0	0	110.2	S189 Q190 W195 Y196 I197	S189-I193 VanDerWaalsContact O-CG1 3.31Å; S189-I193 WeakPolarHBondContact O-CG1 3.41Å; S189-I193 PolarHBondContact O-N 2.98Å; Q190-I193 PolarHBondContact O-N 3.21Å; Q190-I193 VanDerWaalsContact O-N 3.14Å; I193-W195 VanDerWaalsContact C-N 3.3Å; I193-W195 PolarHBondContact O-N 3.15Å; I193-Y196 PolarHBondContact O-N 2.91Å; I193-Y196 VanDerWaalsContact O-N 3.13Å; I193-I197 HydrophobicContact CG2-CD1 3.85Å; I193-I197 HydrophobicContact CG2-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.36Å; I193-I197 PolarHBondContact O-N 3.39Å
194	Q	94.2	Very high	95.4	Very high	111 Å²	111	99.8 Å²	99.8	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-40.3	176.9	-168.1	64.1	21	0	0	111.9	Q190 I197 S198	Q190-Q194 PolarHBondContact O-N 3.1Å; Q194-I197 PolarHBondContact O-N 2.93Å; Q194-S198 PolarHBondContact O-N 3.33Å; Q194-S198 PolarHBondContact O-OG 2.97Å
195	W	97	Very high	95.4	Very high	147 Å²	147	102.2 Å²	102.2	56%	0.557	49%	0.491	S	S	*	.	H	α-helix	trans	-61	-44.6	173.7	-175	89.2	0	0	0	112.2	N191 R192 I193 S198 Q199	N191-W195 WeakPolarHBondContact O-CB 3.47Å; N191-W195 PolarHBondContact O-N 2.93Å; R192-W195 PolarHBondContact O-N 3.3Å; I193-W195 VanDerWaalsContact C-N 3.3Å; I193-W195 PolarHBondContact O-N 3.15Å; W195-S198 PolarHBondContact O-N 3Å; W195-Q199 HydrophobicContact CD2-CG 4.04Å; W195-Q199 HydrophobicContact CE3-CG 3.99Å; W195-Q199 HydrophobicContact CH2-CG 3.91Å; W195-Q199 HydrophobicContact CZ2-CG 3.95Å; W195-Q199 VanDerWaalsContact CZ2-NE2 3.26Å; W195-Q199 HydrophobicContact CZ3-CG 3.92Å; W195-Q199 WeakPolarHBondContact O-CG 3.39Å; W195-Q199 PolarHBondContact O-N 3.34Å
196	Y	97.3	Very high	95.5	Very high	109 Å²	109	99.7 Å²	99.7	43%	0.427	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-41.6	174.1	-70.9	-56.4	0	0	0	112.2	R192 I193 S198 Q199 F200	R192-Y196 HydrophobicContact CG-CD2 4.1Å; R192-Y196 HydrophobicContact CG-CE2 3.59Å; R192-Y196 WeakPolarHBondContact O-CD2 3.47Å; R192-Y196 PolarHBondContact O-N 3.48Å; I193-Y196 PolarHBondContact O-N 2.91Å; I193-Y196 VanDerWaalsContact O-N 3.13Å; Y196-S198 VanDerWaalsContact C-N 3.35Å; Y196-S198 PolarHBondContact O-N 3.49Å; Y196-Q199 PolarHBondContact O-N 3.31Å; Y196-Q199 VanDerWaalsContact O-N 3.15Å; Y196-F200 WeakPolarHBondContact O-CD2 3.31Å; Y196-F200 PolarHBondContact O-N 2.97Å
197	I	95.3	Very high	95.3	Very high	88 Å²	88	98.8 Å²	98.8	45%	0.451	48%	0.484	S	S	.	.	H	α-helix	trans	-59	-45.3	176.1	-68.8	166.8	0	0	0	110.8	I193 Q194 Q199 F200 A201	I193-I197 HydrophobicContact CG2-CD1 3.85Å; I193-I197 HydrophobicContact CG2-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.36Å; I193-I197 PolarHBondContact O-N 3.39Å; Q194-I197 PolarHBondContact O-N 2.93Å; I197-Q199 VanDerWaalsContact C-N 3.34Å; I197-Q199 PolarHBondContact O-N 3.49Å; I197-F200 PolarHBondContact O-N 2.95Å; I197-A201 PolarHBondContact O-N 3.34Å
198	S	95.8	Very high	95.2	Very high	69 Å²	69	99.3 Å²	99.3	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-35.7	175.2	-62.3	0	0	0	0	113.2	Q194 W195 Y196 A202	Q194-S198 PolarHBondContact O-N 3.33Å; Q194-S198 PolarHBondContact O-OG 2.97Å; W195-S198 PolarHBondContact O-N 3Å; Y196-S198 VanDerWaalsContact C-N 3.35Å; Y196-S198 PolarHBondContact O-N 3.49Å; S198-A202 WeakPolarHBondContact O-CB 3.39Å; S198-A202 PolarHBondContact O-N 2.63Å
199	Q	94.8	Very high	95.2	Very high	84 Å²	84	95.5 Å²	95.5	39%	0.393	47%	0.471	S	S	.	.	H	α-helix	trans	-68.8	-39.5	174.6	-69.4	-69.8	-7.6	0	0	112.3	W195 Y196 I197 A202 K203	W195-Q199 HydrophobicContact CD2-CG 4.04Å; W195-Q199 HydrophobicContact CE3-CG 3.99Å; W195-Q199 HydrophobicContact CH2-CG 3.91Å; W195-Q199 HydrophobicContact CZ2-CG 3.95Å; W195-Q199 VanDerWaalsContact CZ2-NE2 3.26Å; W195-Q199 HydrophobicContact CZ3-CG 3.92Å; W195-Q199 WeakPolarHBondContact O-CG 3.39Å; W195-Q199 PolarHBondContact O-N 3.34Å; Y196-Q199 PolarHBondContact O-N 3.31Å; Y196-Q199 VanDerWaalsContact O-N 3.15Å; I197-Q199 VanDerWaalsContact C-N 3.34Å; I197-Q199 PolarHBondContact O-N 3.49Å; Q199-A202 PolarHBondContact O-N 2.87Å; Q199-K203 WeakPolarHBondContact O-CB 3.43Å; Q199-K203 WeakPolarHBondContact O-CG 3.31Å; Q199-K203 PolarHBondContact O-N 3.14Å
200	F	95.3	Very high	95.1	Very high	134 Å²	134	95.7 Å²	95.7	59%	0.588	47%	0.472	S	S	*	.	H	α-helix	trans	-64	-50.7	173.8	-73.3	-59.1	0	0	0	111.1	Y196 I197 A202 K203 D204	Y196-F200 WeakPolarHBondContact O-CD2 3.31Å; Y196-F200 PolarHBondContact O-N 2.97Å; I197-F200 PolarHBondContact O-N 2.95Å; F200-A202 VanDerWaalsContact C-N 3.27Å; F200-A202 PolarHBondContact O-N 2.88Å; F200-K203 CarbonylContact O-C 3.59Å; F200-K203 WeakPolarHBondContact O-CA 3.24Å; F200-K203 WeakPolarHBondContact O-CB 3.47Å; F200-K203 PolarHBondContact O-N 3.12Å; F200-D204 VanDerWaalsContact O-CG 3.29Å; F200-D204 PolarHBondContact O-N 3.34Å
201	A	94.6	Very high	95	Very high	58 Å²	58	97.3 Å²	97.3	48%	0.479	47%	0.474	S	S	.	.	H	α-helix	trans	-56.8	-39	177	0	0	0	0	0	113	I197 K203 F205	I197-A201 PolarHBondContact O-N 3.34Å; A201-K203 VanDerWaalsContact C-N 3.34Å; A201-F205 WeakPolarHBondContact O-CB 3.45Å; A201-F205 PolarHBondContact O-N 2.85Å; A201-F205 VanDerWaalsContact O-N 3.07Å
202	A	93.9	Very high	94.9	Very high	46 Å²	46	99.3 Å²	99.3	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-30.1	174.1	0	0	0	0	0	113.2	S198 Q199 F200 Q206	S198-A202 WeakPolarHBondContact O-CB 3.39Å; S198-A202 PolarHBondContact O-N 2.63Å; Q199-A202 PolarHBondContact O-N 2.87Å; F200-A202 VanDerWaalsContact C-N 3.27Å; F200-A202 PolarHBondContact O-N 2.88Å; A202-Q206 WeakPolarHBondContact O-CG 3.13Å; A202-Q206 PolarHBondContact O-N 2.89Å
203	K	95.6	Very high	94.8	Very high	114 Å²	114	98.7 Å²	98.7	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-78.3	-40.6	175.1	-77.2	-74	163	-162.1	0	112.6	Q199 F200 A201 F205 Q206 V207	Q199-K203 WeakPolarHBondContact O-CB 3.43Å; Q199-K203 WeakPolarHBondContact O-CG 3.31Å; Q199-K203 PolarHBondContact O-N 3.14Å; F200-K203 CarbonylContact O-C 3.59Å; F200-K203 WeakPolarHBondContact O-CA 3.24Å; F200-K203 WeakPolarHBondContact O-CB 3.47Å; F200-K203 PolarHBondContact O-N 3.12Å; A201-K203 VanDerWaalsContact C-N 3.34Å; K203-F205 VanDerWaalsContact C-N 3.28Å; K203-F205 PolarHBondContact O-N 3.34Å; K203-Q206 WeakPolarHBondContact O-CB 3.46Å; K203-Q206 PolarHBondContact O-N 3.05Å; K203-Q206 VanDerWaalsContact O-N 3.08Å; K203-V207 WeakPolarHBondContact O-CG2 3.2Å; K203-V207 PolarHBondContact O-N 3.41Å
204	D	95.3	Very high	94.7	Very high	103 Å²	103	101.2 Å²	101.2	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-61.5	-39.9	174.9	-62.5	-33.6	0	0	0	110.5	F200 V207 E208	F200-D204 VanDerWaalsContact O-CG 3.29Å; F200-D204 PolarHBondContact O-N 3.34Å; D204-V207 PolarHBondContact O-N 2.84Å; D204-E208 VanDerWaalsContact O-CB 3.32Å; D204-E208 WeakPolarHBondContact O-CB 3.32Å; D204-E208 PolarHBondContact O-N 3.23Å
205	F	94.9	Very high	94.5	Very high	131 Å²	131	98.9 Å²	98.9	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-60.5	-43.8	170.8	-173.5	-86.8	0	0	0	112.6	A201 K203 V207 E208 E209	A201-F205 WeakPolarHBondContact O-CB 3.45Å; A201-F205 PolarHBondContact O-N 2.85Å; A201-F205 VanDerWaalsContact O-N 3.07Å; K203-F205 VanDerWaalsContact C-N 3.28Å; K203-F205 PolarHBondContact O-N 3.34Å; F205-V207 VanDerWaalsContact C-N 3.35Å; F205-V207 PolarHBondContact O-N 2.98Å; F205-E208 PolarHBondContact O-N 2.71Å; F205-E209 WeakPolarHBondContact O-CB 2.96Å; F205-E209 PolarHBondContact O-N 3.44Å
206	Q	95	Very high	94.3	Very high	92 Å²	92	95.2 Å²	95.2	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-34.4	176.5	-75	175.3	0.5	0	0	113	A202 K203 S210	A202-Q206 WeakPolarHBondContact O-CG 3.13Å; A202-Q206 PolarHBondContact O-N 2.89Å; K203-Q206 WeakPolarHBondContact O-CB 3.46Å; K203-Q206 PolarHBondContact O-N 3.05Å; K203-Q206 VanDerWaalsContact O-N 3.08Å; Q206-S210 WeakPolarHBondContact O-CB 3.19Å; Q206-S210 PolarHBondContact O-N 3.4Å; Q206-S210 VanDerWaalsContact O-N 3.1Å; Q206-S210 PolarHBondContact O-OG 3.09Å
207	V	93.8	Very high	94.1	Very high	83 Å²	83	94.7 Å²	94.7	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-44.6	173.7	169.9	0	0	0	0	110.3	K203 D204 F205 S210 R211	K203-V207 WeakPolarHBondContact O-CG2 3.2Å; K203-V207 PolarHBondContact O-N 3.41Å; D204-V207 PolarHBondContact O-N 2.84Å; F205-V207 VanDerWaalsContact C-N 3.35Å; F205-V207 PolarHBondContact O-N 2.98Å; V207-S210 CarbonylContact O-C 3.56Å; V207-S210 WeakPolarHBondContact O-CB 3.2Å; V207-S210 PolarHBondContact O-N 3.37Å; V207-S210 VanDerWaalsContact O-N 3.15Å; V207-R211 PolarHBondContact O-N 3.47Å
208	E	93.7	Very high	93.9	Very high	53 Å²	53	94.1 Å²	94.1	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-67.6	-40.1	178.8	174.5	56.5	-163.1	0	0	112.7	D204 F205 S210 R211 R212	D204-E208 VanDerWaalsContact O-CB 3.32Å; D204-E208 WeakPolarHBondContact O-CB 3.32Å; D204-E208 PolarHBondContact O-N 3.23Å; F205-E208 PolarHBondContact O-N 2.71Å; E208-S210 PolarHBondContact O-N 2.71Å; E208-R211 PolarHBondContact O-N 3.4Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 2.61Å; E208-R211 IonicContact OE2-NH1 2.67Å; E208-R211 PolarHBondContact OE2-NH1 3.38Å; E208-R212 WeakPolarHBondContact O-CG 3.39Å; E208-R212 PolarHBondContact O-N 3.47Å; E208-R212 IonicContact OE1-CZ 2.76Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.35Å; E208-R212 IonicContact OE1-NH2 2.85Å; E208-R212 PolarHBondContact OE1-NH2 3.38Å
209	E	94.1	Very high	93.8	Very high	86 Å²	86	94.6 Å²	94.6	40%	0.402	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-36.7	169.6	-172.1	-169.6	169.7	0	0	111.5	F205 R213	F205-E209 WeakPolarHBondContact O-CB 2.96Å; F205-E209 PolarHBondContact O-N 3.44Å; E209-R213 WeakPolarHBondContact O-CG 3.32Å; E209-R213 PolarHBondContact O-N 2.97Å; E209-R213 VanDerWaalsContact O-N 3.13Å; E209-R213 PolarHBondContact O-NE 3.43Å
210	S	93.8	Very high	93.7	Very high	49 Å²	49	93 Å²	93	34%	0.343	49%	0.486	S	S	.	.	H	α-helix	trans	-70.4	-42	176.6	-56.6	0	0	0	0	111.9	Q206 V207 E208 R212 R213 E214	Q206-S210 WeakPolarHBondContact O-CB 3.19Å; Q206-S210 PolarHBondContact O-N 3.4Å; Q206-S210 VanDerWaalsContact O-N 3.1Å; Q206-S210 PolarHBondContact O-OG 3.09Å; V207-S210 CarbonylContact O-C 3.56Å; V207-S210 WeakPolarHBondContact O-CB 3.2Å; V207-S210 PolarHBondContact O-N 3.37Å; V207-S210 VanDerWaalsContact O-N 3.15Å; E208-S210 PolarHBondContact O-N 2.71Å; S210-R212 VanDerWaalsContact C-N 3.33Å; S210-R212 PolarHBondContact O-N 2.94Å; S210-R213 PolarHBondContact O-N 3.18Å; S210-R213 PolarHBondContact OG-NH2 3.21Å; S210-E214 WeakPolarHBondContact O-CB 3.09Å; S210-E214 PolarHBondContact O-N 2.84Å
211	R	94	Very high	93.5	Very high	146 Å²	146	90.1 Å²	90.1	55%	0.551	48%	0.476	S	S	*	.	H	α-helix	trans	-57.6	-42.5	172.7	-178.7	-175.7	-69.7	132.2	-5.6	112.1	V207 E208 E214 A215	V207-R211 PolarHBondContact O-N 3.47Å; E208-R211 PolarHBondContact O-N 3.4Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 2.61Å; E208-R211 IonicContact OE2-NH1 2.67Å; E208-R211 PolarHBondContact OE2-NH1 3.38Å; R211-E214 PolarHBondContact O-N 2.73Å; R211-A215 WeakPolarHBondContact O-CB 3.36Å; R211-A215 PolarHBondContact O-N 2.94Å
212	R	93.8	Very high	93.5	Very high	146 Å²	146	90.2 Å²	90.2	55%	0.551	47%	0.473	S	S	*	.	H	α-helix	trans	-65.1	-39.5	176.2	-69.2	169.7	-166.4	175.1	3.2	112.5	E208 S210 S216	E208-R212 WeakPolarHBondContact O-CG 3.39Å; E208-R212 PolarHBondContact O-N 3.47Å; E208-R212 IonicContact OE1-CZ 2.76Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.35Å; E208-R212 IonicContact OE1-NH2 2.85Å; E208-R212 PolarHBondContact OE1-NH2 3.38Å; S210-R212 VanDerWaalsContact C-N 3.33Å; S210-R212 PolarHBondContact O-N 2.94Å; R212-S216 PolarHBondContact O-N 3.14Å; R212-S216 VanDerWaalsContact O-N 3.13Å
213	R	93.1	Very high	93.5	Very high	134 Å²	134	94.4 Å²	94.4	51%	0.506	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-38.3	174.3	-70.5	178.8	-63.7	165.3	3.2	111.8	E209 S210 S216 I217	E209-R213 WeakPolarHBondContact O-CG 3.32Å; E209-R213 PolarHBondContact O-N 2.97Å; E209-R213 VanDerWaalsContact O-N 3.13Å; E209-R213 PolarHBondContact O-NE 3.43Å; S210-R213 PolarHBondContact O-N 3.18Å; S210-R213 PolarHBondContact OG-NH2 3.21Å; R213-S216 PolarHBondContact O-N 2.9Å; R213-S216 PolarHBondContact O-OG 3.13Å; R213-I217 WeakPolarHBondContact O-CG1 3.45Å; R213-I217 PolarHBondContact O-N 3.38Å
214	E	93.1	Very high	93.5	Very high	143 Å²	143	94.8 Å²	94.8	67%	0.668	49%	0.492	S	S	*	.	H	α-helix	trans	-64.8	-44.1	174.5	-173.3	171.7	-161.8	0	0	111.9	S210 R211 S216 I217	S210-E214 WeakPolarHBondContact O-CB 3.09Å; S210-E214 PolarHBondContact O-N 2.84Å; R211-E214 PolarHBondContact O-N 2.73Å; E214-S216 VanDerWaalsContact C-N 3.3Å; E214-S216 PolarHBondContact O-N 3.28Å; E214-I217 WeakPolarHBondContact O-CB 3.46Å; E214-I217 PolarHBondContact O-N 2.95Å; E214-I217 VanDerWaalsContact O-N 3.14Å
215	A	90.8	Very high	93.4	Very high	61 Å²	61	97.7 Å²	97.7	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-58.5	-39.4	174	0	0	0	0	0	112.4	R211 I217 S218	R211-A215 WeakPolarHBondContact O-CB 3.36Å; R211-A215 PolarHBondContact O-N 2.94Å; A215-I217 VanDerWaalsContact C-N 3.31Å; A215-I217 PolarHBondContact O-N 3.32Å; A215-S218 PolarHBondContact O-N 3.45Å
216	S	93.5	Very high	93.4	Very high	71 Å²	71	94 Å²	94	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-25.5	178.2	77.5	0	0	0	0	113.7	R212 R213 E214 S218 T219 A220	R212-S216 PolarHBondContact O-N 3.14Å; R212-S216 VanDerWaalsContact O-N 3.13Å; R213-S216 PolarHBondContact O-N 2.9Å; R213-S216 PolarHBondContact O-OG 3.13Å; E214-S216 VanDerWaalsContact C-N 3.3Å; E214-S216 PolarHBondContact O-N 3.28Å; S216-S218 VanDerWaalsContact C-N 3.34Å; S216-S218 PolarHBondContact O-N 3.13Å; S216-T219 PolarHBondContact O-N 3.41Å; S216-A220 PolarHBondContact O-N 3.06Å
217	I	92.1	Very high	93.4	Very high	98 Å²	98	95.4 Å²	95.4	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-39.5	173.4	-67.3	167.6	0	0	0	110.8	R213 E214 A215 T219 A220 I221	R213-I217 WeakPolarHBondContact O-CG1 3.45Å; R213-I217 PolarHBondContact O-N 3.38Å; E214-I217 WeakPolarHBondContact O-CB 3.46Å; E214-I217 PolarHBondContact O-N 2.95Å; E214-I217 VanDerWaalsContact O-N 3.14Å; A215-I217 VanDerWaalsContact C-N 3.31Å; A215-I217 PolarHBondContact O-N 3.32Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 3.36Å; I217-A220 PolarHBondContact O-N 3.1Å; I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.22Å; I217-I221 WeakPolarHBondContact O-CB 3.35Å; I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 3.26Å
218	S	91.4	Very high	93.4	Very high	75 Å²	75	93.8 Å²	93.8	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-42.9	176.3	-170.8	0	0	0	0	111.9	A215 S216 I221 S222	A215-S218 PolarHBondContact O-N 3.45Å; S216-S218 VanDerWaalsContact C-N 3.34Å; S216-S218 PolarHBondContact O-N 3.13Å; S218-I221 PolarHBondContact O-N 3.36Å; S218-S222 WeakPolarHBondContact O-CB 3.34Å; S218-S222 PolarHBondContact O-N 2.99Å; S218-S222 PolarHBondContact O-OG 3.38Å
219	T	92.4	Very high	93.5	Very high	79 Å²	79	97.5 Å²	97.5	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-45.7	174.4	-53.9	0	0	0	0	111.7	S216 I217 S222 Q223	S216-T219 PolarHBondContact O-N 3.41Å; I217-T219 VanDerWaalsContact C-N 3.34Å; I217-T219 PolarHBondContact O-N 3.36Å; T219-S222 PolarHBondContact O-N 2.96Å; T219-Q223 WeakPolarHBondContact O-CG 3.43Å; T219-Q223 PolarHBondContact O-N 3.26Å
220	A	92.7	Very high	93.6	Very high	52 Å²	52	98.8 Å²	98.8	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-40.9	178.6	0	0	0	0	0	112.6	S216 I217 S222 Q223 L224	S216-A220 PolarHBondContact O-N 3.06Å; I217-A220 PolarHBondContact O-N 3.1Å; A220-S222 VanDerWaalsContact C-N 3.31Å; A220-S222 PolarHBondContact O-N 2.94Å; A220-Q223 PolarHBondContact O-N 3.1Å; A220-L224 WeakPolarHBondContact O-CB 3.33Å; A220-L224 PolarHBondContact O-N 2.94Å
221	I	93	Very high	93.5	Very high	72 Å²	72	100 Å²	100	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-39.3	173.8	-71.6	171.2	0	0	0	110.7	I217 S218 L224 R225	I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.22Å; I217-I221 WeakPolarHBondContact O-CB 3.35Å; I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 3.26Å; S218-I221 PolarHBondContact O-N 3.36Å; I221-L224 PolarHBondContact O-N 2.96Å; I221-R225 HydrophobicContact CG2-CG 4.44Å; I221-R225 WeakPolarHBondContact O-CB 3.47Å; I221-R225 VanDerWaalsContact O-CG 3.27Å; I221-R225 WeakPolarHBondContact O-CG 3.34Å; I221-R225 PolarHBondContact O-N 2.74Å
222	S	93	Very high	93.5	Very high	60 Å²	60	97.1 Å²	97.1	42%	0.42	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-42.6	178.6	-59.4	0	0	0	0	111.9	S218 T219 A220 R225 A226	S218-S222 WeakPolarHBondContact O-CB 3.34Å; S218-S222 PolarHBondContact O-N 2.99Å; S218-S222 PolarHBondContact O-OG 3.38Å; T219-S222 PolarHBondContact O-N 2.96Å; A220-S222 VanDerWaalsContact C-N 3.31Å; A220-S222 PolarHBondContact O-N 2.94Å; S222-R225 PolarHBondContact O-N 3.36Å; S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 3.39Å
223	Q	94.9	Very high	93.5	Very high	134 Å²	134	94.3 Å²	94.3	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-61.9	-43.3	172.2	-71.4	173.4	-7.3	0	0	112	T219 A220 A226 K227	T219-Q223 WeakPolarHBondContact O-CG 3.43Å; T219-Q223 PolarHBondContact O-N 3.26Å; A220-Q223 PolarHBondContact O-N 3.1Å; Q223-A226 PolarHBondContact O-N 3.02Å; Q223-K227 WeakPolarHBondContact O-CB 3.34Å; Q223-K227 PolarHBondContact O-N 3.15Å
224	L	94.7	Very high	93.5	Very high	122 Å²	122	91.8 Å²	91.8	64%	0.639	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-41.4	177.2	-176.4	64.1	0	0	0	112	A220 I221 A228	A220-L224 WeakPolarHBondContact O-CB 3.33Å; A220-L224 PolarHBondContact O-N 2.94Å; I221-L224 PolarHBondContact O-N 2.96Å; L224-A228 VanDerWaalsContact O-CB 3.31Å; L224-A228 WeakPolarHBondContact O-CB 3.33Å; L224-A228 PolarHBondContact O-N 3.25Å
225	R	94.4	Very high	93.5	Very high	164 Å²	164	92.6 Å²	92.6	62%	0.619	50%	0.495	S	S	*	.	H	α-helix	trans	-63	-45.3	174.6	-76.3	170.9	177.9	170.6	-0	111.8	I221 S222 A228 Q229	I221-R225 HydrophobicContact CG2-CG 4.44Å; I221-R225 WeakPolarHBondContact O-CB 3.47Å; I221-R225 VanDerWaalsContact O-CG 3.27Å; I221-R225 WeakPolarHBondContact O-CG 3.34Å; I221-R225 PolarHBondContact O-N 2.74Å; S222-R225 PolarHBondContact O-N 3.36Å; R225-A228 PolarHBondContact O-N 3.46Å; R225-Q229 WeakPolarHBondContact O-CG 3.39Å; R225-Q229 PolarHBondContact O-N 3.48Å
226	A	94.4	Very high	93.6	Very high	55 Å²	55	98.2 Å²	98.2	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-47.2	177.4	0	0	0	0	0	111.5	S222 Q223 A228 Q229 E230	S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 3.39Å; Q223-A226 PolarHBondContact O-N 3.02Å; A226-A228 PolarHBondContact O-N 2.69Å; A226-Q229 PolarHBondContact O-N 3.02Å; A226-E230 PolarHBondContact O-N 3.2Å
227	K	95.6	Very high	93.6	Very high	120 Å²	120	100.5 Å²	100.5	52%	0.522	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-43.3	176.6	-173	171.9	-172.8	-85.2	0	112.4	Q223 Q229 E230 E231	Q223-K227 WeakPolarHBondContact O-CB 3.34Å; Q223-K227 PolarHBondContact O-N 3.15Å; K227-Q229 VanDerWaalsContact C-N 3.32Å; K227-Q229 PolarHBondContact O-N 3.14Å; K227-E230 WeakPolarHBondContact O-CB 3.3Å; K227-E230 PolarHBondContact O-N 3.49Å; K227-E231 WeakPolarHBondContact CE-OE1 3.5Å; K227-E231 IonicContact NZ-OE1 2.71Å; K227-E231 PolarHBondContact NZ-OE1 2.87Å; K227-E231 WeakPolarHBondContact O-CG 3.46Å; K227-E231 PolarHBondContact O-N 2.91Å
228	A	93.8	Very high	93.6	Very high	50 Å²	50	100.8 Å²	100.8	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-34.8	176.9	0	0	0	0	0	112.5	L224 R225 A226 L232	L224-A228 VanDerWaalsContact O-CB 3.31Å; L224-A228 WeakPolarHBondContact O-CB 3.33Å; L224-A228 PolarHBondContact O-N 3.25Å; R225-A228 PolarHBondContact O-N 3.46Å; A226-A228 PolarHBondContact O-N 2.69Å; A228-L232 VanDerWaalsContact O-CB 3.28Å; A228-L232 WeakPolarHBondContact O-CB 2.97Å; A228-L232 PolarHBondContact O-N 3.01Å; A228-L232 VanDerWaalsContact O-N 3.07Å
229	Q	95.7	Very high	93.5	Very high	130 Å²	130	99.2 Å²	99.2	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-67.6	-41.2	172.1	-74.9	176	-9.6	0	0	111.9	R225 A226 K227 L232 I233	R225-Q229 WeakPolarHBondContact O-CG 3.39Å; R225-Q229 PolarHBondContact O-N 3.48Å; A226-Q229 PolarHBondContact O-N 3.02Å; K227-Q229 VanDerWaalsContact C-N 3.32Å; K227-Q229 PolarHBondContact O-N 3.14Å; Q229-L232 PolarHBondContact O-N 3.05Å; Q229-I233 VanDerWaalsContact O-CG1 3.28Å; Q229-I233 WeakPolarHBondContact O-CG1 3.49Å; Q229-I233 PolarHBondContact O-N 2.81Å
230	E	94.7	Very high	93.4	Very high	113 Å²	113	98.9 Å²	98.9	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175.5	-166.3	-168.7	160.2	0	0	111.5	A226 K227 L232 I233 Q234	A226-E230 PolarHBondContact O-N 3.2Å; K227-E230 WeakPolarHBondContact O-CB 3.3Å; K227-E230 PolarHBondContact O-N 3.49Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å; E230-I233 WeakPolarHBondContact O-CB 3.15Å; E230-I233 PolarHBondContact O-N 2.75Å; E230-I233 VanDerWaalsContact O-N 3.11Å; E230-Q234 WeakPolarHBondContact O-CG 3.4Å; E230-Q234 PolarHBondContact O-N 3.22Å; E230-Q234 PolarHBondContact OE1-NE2 3.45Å; E230-Q234 VanDerWaalsContact OE1-NE2 3.08Å
231	E	93.3	Very high	93.2	Very high	76 Å²	76	101.5 Å²	101.5	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-42.3	175.8	-73.1	173.5	-173.7	0	0	111.6	K227 I233 Q234 Y235	K227-E231 WeakPolarHBondContact CE-OE1 3.5Å; K227-E231 IonicContact NZ-OE1 2.71Å; K227-E231 PolarHBondContact NZ-OE1 2.87Å; K227-E231 WeakPolarHBondContact O-CG 3.46Å; K227-E231 PolarHBondContact O-N 2.91Å; E231-I233 PolarHBondContact O-N 2.89Å; E231-Q234 PolarHBondContact O-N 2.87Å; E231-Y235 WeakPolarHBondContact O-CD2 3.06Å; E231-Y235 PolarHBondContact O-N 3.21Å
232	L	93.6	Very high	93	Very high	85 Å²	85	103.4 Å²	103.4	45%	0.445	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-37.6	177.2	-158	167.2	0	0	0	111.9	A228 Q229 E230 R236	A228-L232 VanDerWaalsContact O-CB 3.28Å; A228-L232 WeakPolarHBondContact O-CB 2.97Å; A228-L232 PolarHBondContact O-N 3.01Å; A228-L232 VanDerWaalsContact O-N 3.07Å; Q229-L232 PolarHBondContact O-N 3.05Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å; L232-R236 HydrophobicContact CD2-CG 4.14Å; L232-R236 VanDerWaalsContact CD2-CZ 3.43Å; L232-R236 VanDerWaalsContact CD2-NE 3.27Å; L232-R236 WeakPolarHBondContact O-CG 3.36Å; L232-R236 PolarHBondContact O-N 2.71Å
233	I	93.4	Very high	92.7	Very high	86 Å²	86	107.9 Å²	107.9	44%	0.441	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-45.4	172.5	-70.6	163.7	0	0	0	110.6	Q229 E230 E231 Y235 R236 Q237	Q229-I233 VanDerWaalsContact O-CG1 3.28Å; Q229-I233 WeakPolarHBondContact O-CG1 3.49Å; Q229-I233 PolarHBondContact O-N 2.81Å; E230-I233 WeakPolarHBondContact O-CB 3.15Å; E230-I233 PolarHBondContact O-N 2.75Å; E230-I233 VanDerWaalsContact O-N 3.11Å; E231-I233 PolarHBondContact O-N 2.89Å; I233-Y235 PolarHBondContact O-N 3.31Å; I233-R236 PolarHBondContact O-N 2.79Å; I233-Q237 WeakPolarHBondContact O-CG 3.47Å; I233-Q237 PolarHBondContact O-N 2.88Å
234	Q	93.6	Very high	92.5	Very high	82 Å²	82	107 Å²	107	38%	0.383	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-45.2	176.3	-68.4	-178.5	21.8	0	0	111.2	E230 E231 R236 Q237 Q238	E230-Q234 WeakPolarHBondContact O-CG 3.4Å; E230-Q234 PolarHBondContact O-N 3.22Å; E230-Q234 PolarHBondContact OE1-NE2 3.45Å; E230-Q234 VanDerWaalsContact OE1-NE2 3.08Å; E231-Q234 PolarHBondContact O-N 2.87Å; Q234-R236 PolarHBondContact O-N 3.02Å; Q234-Q237 PolarHBondContact O-N 3.28Å; Q234-Q238 WeakPolarHBondContact O-CB 3.44Å; Q234-Q238 VanDerWaalsContact O-CG 3.31Å; Q234-Q238 WeakPolarHBondContact O-CG 3.41Å; Q234-Q238 PolarHBondContact O-N 3.15Å
235	Y	93	Very high	92	Very high	159 Å²	159	108 Å²	108	62%	0.624	51%	0.512	S	S	*	.	H	α-helix	trans	-62	-39.3	175.5	-76.7	-56.7	0	0	0	113	E231 I233 Q238 A239	E231-Y235 WeakPolarHBondContact O-CD2 3.06Å; E231-Y235 PolarHBondContact O-N 3.21Å; I233-Y235 PolarHBondContact O-N 3.31Å; Y235-Q238 PolarHBondContact O-N 3.07Å; Y235-A239 WeakPolarHBondContact O-CB 3.42Å; Y235-A239 PolarHBondContact O-N 3.43Å
236	R	93	Very high	91.7	Very high	179 Å²	179	103.3 Å²	103.3	68%	0.675	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-41.1	174.2	-77.7	174.4	173.8	171.4	1.4	112.1	L232 I233 Q234 S240	L232-R236 HydrophobicContact CD2-CG 4.14Å; L232-R236 VanDerWaalsContact CD2-CZ 3.43Å; L232-R236 VanDerWaalsContact CD2-NE 3.27Å; L232-R236 WeakPolarHBondContact O-CG 3.36Å; L232-R236 PolarHBondContact O-N 2.71Å; I233-R236 PolarHBondContact O-N 2.79Å; Q234-R236 PolarHBondContact O-N 3.02Å; R236-S240 WeakPolarHBondContact O-CB 3.37Å; R236-S240 PolarHBondContact O-N 2.98Å
237	Q	92.8	Very high	91.4	Very high	120 Å²	120	104.8 Å²	104.8	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-46.2	176.5	-71	174.1	-0.6	0	0	111.6	I233 Q234 A239 S240 E241	I233-Q237 WeakPolarHBondContact O-CG 3.47Å; I233-Q237 PolarHBondContact O-N 2.88Å; Q234-Q237 PolarHBondContact O-N 3.28Å; Q237-A239 PolarHBondContact O-N 3.49Å; Q237-S240 WeakPolarHBondContact O-CB 3.48Å; Q237-S240 PolarHBondContact O-N 2.87Å; Q237-E241 PolarHBondContact O-N 3.2Å
238	Q	91.7	Very high	91.1	Very high	103 Å²	103	101.5 Å²	101.5	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-58.6	-47.8	175.7	-72.2	174	15.8	0	0	111.5	Q234 Y235 S240 E241 I242	Q234-Q238 WeakPolarHBondContact O-CB 3.44Å; Q234-Q238 VanDerWaalsContact O-CG 3.31Å; Q234-Q238 WeakPolarHBondContact O-CG 3.41Å; Q234-Q238 PolarHBondContact O-N 3.15Å; Y235-Q238 PolarHBondContact O-N 3.07Å; Q238-S240 VanDerWaalsContact C-N 3.34Å; Q238-S240 PolarHBondContact O-N 3.48Å; Q238-E241 PolarHBondContact O-N 3.3Å; Q238-I242 WeakPolarHBondContact O-CB 3.33Å; Q238-I242 WeakPolarHBondContact O-CD1 3.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.05Å
239	A	89.6	Confident	90.8	Very high	42 Å²	42	102.5 Å²	102.5	35%	0.347	50%	0.499	S	S	.	.	H	α-helix	trans	-59.5	-43.6	176.1	0	0	0	0	0	111.9	Y235 Q237 I242 Y243	Y235-A239 WeakPolarHBondContact O-CB 3.42Å; Y235-A239 PolarHBondContact O-N 3.43Å; Q237-A239 PolarHBondContact O-N 3.49Å; A239-I242 PolarHBondContact O-N 2.91Å; A239-Y243 WeakPolarHBondContact O-CD2 3.43Å; A239-Y243 PolarHBondContact O-N 2.89Å
240	S	90.2	Very high	90.5	Very high	72 Å²	72	101.5 Å²	101.5	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-57.4	-52.3	177	-171.9	0	0	0	0	111.9	R236 Q237 Q238 I242 Y243 K244	R236-S240 WeakPolarHBondContact O-CB 3.37Å; R236-S240 PolarHBondContact O-N 2.98Å; Q237-S240 WeakPolarHBondContact O-CB 3.48Å; Q237-S240 PolarHBondContact O-N 2.87Å; Q238-S240 VanDerWaalsContact C-N 3.34Å; Q238-S240 PolarHBondContact O-N 3.48Å; S240-I242 PolarHBondContact O-N 3.18Å; S240-Y243 PolarHBondContact O-N 3.44Å; S240-K244 WeakPolarHBondContact O-CB 3.44Å; S240-K244 PolarHBondContact O-N 2.85Å
241	E	88.2	Confident	90.4	Very high	108 Å²	108	102.1 Å²	102.1	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-35.6	179.6	-66.8	-60.6	134.8	0	0	112.6	Q237 Q238 Y243 K244	Q237-E241 PolarHBondContact O-N 3.2Å; Q238-E241 PolarHBondContact O-N 3.3Å; E241-Y243 PolarHBondContact O-N 2.9Å; E241-K244 WeakPolarHBondContact OE1-CD 3.26Å; E241-K244 IonicContact OE1-NZ 3.72Å; E241-K244 PolarHBondContact OE1-NZ 3.41Å; E241-K244 WeakPolarHBondContact OE2-CD 3.5Å; E241-K244 IonicContact OE2-NZ 2.69Å; E241-K244 PolarHBondContact OE2-NZ 2.88Å
242	I	89	Confident	90.2	Very high	111 Å²	111	102.4 Å²	102.4	57%	0.569	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-41.9	174.8	-74.6	165.9	0	0	0	111.7	Q238 A239 S240 P246	Q238-I242 WeakPolarHBondContact O-CB 3.33Å; Q238-I242 WeakPolarHBondContact O-CD1 3.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.05Å; A239-I242 PolarHBondContact O-N 2.91Å; S240-I242 PolarHBondContact O-N 3.18Å; I242-P246 WeakPolarHBondContact O-CD 3.41Å; I242-P246 WeakPolarHBondContact O-CG 3.39Å
243	Y	87.4	Confident	90	Very high	154 Å²	154	102.8 Å²	102.8	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-85	-29.5	-179.6	-70.3	-62.1	0	0	0	113.9	A239 S240 E241 K245 P246 I247	A239-Y243 WeakPolarHBondContact O-CD2 3.43Å; A239-Y243 PolarHBondContact O-N 2.89Å; S240-Y243 PolarHBondContact O-N 3.44Å; E241-Y243 PolarHBondContact O-N 2.9Å; Y243-K245 PolarHBondContact O-N 3.05Å; Y243-P246 WeakPolarHBondContact O-CD 3.33Å; Y243-I247 WeakPolarHBondContact O-CB 3.31Å; Y243-I247 WeakPolarHBondContact O-CD1 3.15Å; Y243-I247 VanDerWaalsContact O-CG1 3.22Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 2.71Å
244	K	90	Very high	89.9	Confident	116 Å²	116	102.2 Å²	102.2	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-56.7	-46.3	-179.6	177.6	-173.7	175.1	-164.4	0	113.3	S240 E241 I247 A248	S240-K244 WeakPolarHBondContact O-CB 3.44Å; S240-K244 PolarHBondContact O-N 2.85Å; E241-K244 WeakPolarHBondContact OE1-CD 3.26Å; E241-K244 IonicContact OE1-NZ 3.72Å; E241-K244 PolarHBondContact OE1-NZ 3.41Å; E241-K244 WeakPolarHBondContact OE2-CD 3.5Å; E241-K244 IonicContact OE2-NZ 2.69Å; E241-K244 PolarHBondContact OE2-NZ 2.88Å; K244-I247 PolarHBondContact O-N 3.02Å; K244-A248 WeakPolarHBondContact O-CB 3.3Å; K244-A248 PolarHBondContact O-N 2.87Å
245	K	84.2	Confident	89.9	Confident	142 Å²	142	100.6 Å²	100.6	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-68.4	-45.2	-178.7	-178.1	174.8	-177.7	175.4	0	113.2	Y243 T249	Y243-K245 PolarHBondContact O-N 3.05Å; K245-T249 WeakPolarHBondContact O-CB 3.39Å; K245-T249 PolarHBondContact O-N 3.22Å; K245-T249 PolarHBondContact O-OG1 2.75Å
246	P	88.3	Confident	89.8	Confident	66 Å²	66	96.1 Å²	96.1	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-58.5	-45.8	168.6	-27.8	35.5	0	0	0	114	I242 Y243 A248 T249 L250	I242-P246 WeakPolarHBondContact O-CD 3.41Å; I242-P246 WeakPolarHBondContact O-CG 3.39Å; Y243-P246 WeakPolarHBondContact O-CD 3.33Å; P246-A248 PolarHBondContact O-N 3.1Å; P246-T249 WeakPolarHBondContact O-CB 3.48Å; P246-T249 PolarHBondContact O-N 3.15Å; P246-L250 WeakPolarHBondContact O-CG 3.44Å; P246-L250 PolarHBondContact O-N 2.99Å
247	I	88.5	Confident	89.7	Confident	86 Å²	86	93.3 Å²	93.3	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-45.7	-179.3	-70.3	167.2	0	0	0	110.9	Y243 K244 T249 L250 Q251	Y243-I247 WeakPolarHBondContact O-CB 3.31Å; Y243-I247 WeakPolarHBondContact O-CD1 3.15Å; Y243-I247 VanDerWaalsContact O-CG1 3.22Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 2.71Å; K244-I247 PolarHBondContact O-N 3.02Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 2.84Å; I247-L250 PolarHBondContact O-N 3.42Å; I247-Q251 HydrophobicContact CG2-CG 4.44Å; I247-Q251 WeakPolarHBondContact O-CB 3.41Å; I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.33Å; I247-Q251 PolarHBondContact O-N 3.31Å
248	A	88.7	Confident	89.6	Confident	52 Å²	52	95.6 Å²	95.6	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-37.9	175.8	0	0	0	0	0	112.5	K244 P246 S252	K244-A248 WeakPolarHBondContact O-CB 3.3Å; K244-A248 PolarHBondContact O-N 2.87Å; P246-A248 PolarHBondContact O-N 3.1Å; A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 3.29Å
249	T	87.9	Confident	89.6	Confident	71 Å²	71	98.1 Å²	98.1	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-49.2	174.4	-54.7	0	0	0	0	111.5	K245 P246 I247 Q251 S252 Q253	K245-T249 WeakPolarHBondContact O-CB 3.39Å; K245-T249 PolarHBondContact O-N 3.22Å; K245-T249 PolarHBondContact O-OG1 2.75Å; P246-T249 WeakPolarHBondContact O-CB 3.48Å; P246-T249 PolarHBondContact O-N 3.15Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 2.84Å; T249-Q251 PolarHBondContact O-N 3.13Å; T249-S252 WeakPolarHBondContact O-CB 3.47Å; T249-S252 PolarHBondContact O-N 3.38Å; T249-Q253 WeakPolarHBondContact O-CG 3.29Å; T249-Q253 PolarHBondContact O-N 3.13Å
250	L	89.8	Confident	89.7	Confident	108 Å²	108	101.9 Å²	101.9	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-39.7	178.5	-70.9	167.4	0	0	0	112.4	P246 I247 S252 Q253 L254	P246-L250 WeakPolarHBondContact O-CG 3.44Å; P246-L250 PolarHBondContact O-N 2.99Å; I247-L250 PolarHBondContact O-N 3.42Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-Q253 PolarHBondContact O-N 3.1Å; L250-L254 VanDerWaalsContact O-CB 3.31Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 PolarHBondContact O-N 3.34Å
251	Q	91.8	Very high	89.7	Confident	126 Å²	126	103.7 Å²	103.7	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-62.9	-40.1	174.1	-75	174.2	-11.8	0	0	111.9	I247 T249 A255	I247-Q251 HydrophobicContact CG2-CG 4.44Å; I247-Q251 WeakPolarHBondContact O-CB 3.41Å; I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.33Å; I247-Q251 PolarHBondContact O-N 3.31Å; T249-Q251 PolarHBondContact O-N 3.13Å; Q251-A255 WeakPolarHBondContact O-CB 3.33Å; Q251-A255 PolarHBondContact O-N 2.67Å
252	S	88.9	Confident	89.8	Confident	82 Å²	82	105 Å²	105	57%	0.573	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-46.4	175.5	-169	0	0	0	0	111.7	A248 T249 L250 L254 A255 S256	A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 3.29Å; T249-S252 WeakPolarHBondContact O-CB 3.47Å; T249-S252 PolarHBondContact O-N 3.38Å; L250-S252 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact O-N 3.49Å; S252-A255 WeakPolarHBondContact O-CB 3.38Å; S252-A255 PolarHBondContact O-N 3.08Å; S252-A255 VanDerWaalsContact O-N 3.1Å; S252-S256 PolarHBondContact O-N 3.12Å; S252-S256 PolarHBondContact O-OG 2.74Å
253	Q	90.4	Very high	89.9	Confident	93 Å²	93	104.4 Å²	104.4	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-58.1	-49.9	176.4	-74.6	172.5	-42.2	0	0	111.6	T249 L250 A255 S256 E257	T249-Q253 WeakPolarHBondContact O-CG 3.29Å; T249-Q253 PolarHBondContact O-N 3.13Å; L250-Q253 PolarHBondContact O-N 3.1Å; Q253-A255 PolarHBondContact O-N 2.72Å; Q253-S256 WeakPolarHBondContact CA-OG 3.29Å; Q253-S256 PolarHBondContact O-N 2.84Å; Q253-S256 VanDerWaalsContact O-N 3.09Å; Q253-S256 PolarHBondContact O-OG 3.38Å; Q253-E257 WeakPolarHBondContact O-CG 3.43Å; Q253-E257 PolarHBondContact O-N 2.84Å
254	L	91.8	Very high	90	Very high	74 Å²	74	101.5 Å²	101.5	39%	0.387	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-32.9	175.8	-177.3	63.7	0	0	0	112.5	L250 S252 R258	L250-L254 VanDerWaalsContact O-CB 3.31Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 PolarHBondContact O-N 3.34Å; S252-L254 PolarHBondContact O-N 3.49Å; L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 WeakPolarHBondContact O-CD 3.47Å; L254-R258 WeakPolarHBondContact O-CG 3.19Å; L254-R258 PolarHBondContact O-N 2.88Å; L254-R258 VanDerWaalsContact O-N 3.13Å
255	A	91.8	Very high	90.1	Very high	48 Å²	48	102.9 Å²	102.9	40%	0.397	53%	0.526	S	S	.	.	H	α-helix	trans	-73.4	-34.8	175.3	0	0	0	0	0	112.9	Q251 S252 Q253 K259	Q251-A255 WeakPolarHBondContact O-CB 3.33Å; Q251-A255 PolarHBondContact O-N 2.67Å; S252-A255 WeakPolarHBondContact O-CB 3.38Å; S252-A255 PolarHBondContact O-N 3.08Å; S252-A255 VanDerWaalsContact O-N 3.1Å; Q253-A255 PolarHBondContact O-N 2.72Å; A255-K259 WeakPolarHBondContact O-CG 3.27Å; A255-K259 PolarHBondContact O-N 3.01Å
256	S	91.2	Very high	90.3	Very high	66 Å²	66	100.2 Å²	100.2	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-69.5	-46.4	171	38.2	0	0	0	0	112.5	S252 Q253 R258 K259 E260	S252-S256 PolarHBondContact O-N 3.12Å; S252-S256 PolarHBondContact O-OG 2.74Å; Q253-S256 WeakPolarHBondContact CA-OG 3.29Å; Q253-S256 PolarHBondContact O-N 2.84Å; Q253-S256 VanDerWaalsContact O-N 3.09Å; Q253-S256 PolarHBondContact O-OG 3.38Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 3.39Å; S256-K259 WeakPolarHBondContact O-CB 3.23Å; S256-K259 PolarHBondContact O-N 2.67Å; S256-E260 PolarHBondContact O-N 2.81Å
257	E	90.6	Very high	90.4	Very high	119 Å²	119	102.7 Å²	102.7	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-58.8	-40.8	178.1	-72.8	174.6	179.7	0	0	111.7	Q253 K259 E260 N261	Q253-E257 WeakPolarHBondContact O-CG 3.43Å; Q253-E257 PolarHBondContact O-N 2.84Å; E257-K259 VanDerWaalsContact C-N 3.34Å; E257-K259 PolarHBondContact O-N 2.89Å; E257-E260 PolarHBondContact O-N 2.87Å; E257-N261 VanDerWaalsContact O-CB 3.27Å; E257-N261 WeakPolarHBondContact O-CB 3.49Å; E257-N261 PolarHBondContact O-N 2.87Å
258	R	91.8	Very high	90.4	Very high	169 Å²	169	102 Å²	102	64%	0.638	53%	0.528	S	S	*	.	H	α-helix	trans	-60.9	-39.3	174.9	-77.6	169.6	176.6	177.9	-1.7	112.7	L254 S256 Q262	L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 WeakPolarHBondContact O-CD 3.47Å; L254-R258 WeakPolarHBondContact O-CG 3.19Å; L254-R258 PolarHBondContact O-N 2.88Å; L254-R258 VanDerWaalsContact O-N 3.13Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 3.39Å; R258-Q262 WeakPolarHBondContact O-CB 3.49Å; R258-Q262 PolarHBondContact O-N 3.2Å; R258-Q262 VanDerWaalsContact O-N 3.08Å
259	K	91.8	Very high	90.6	Very high	155 Å²	155	104.8 Å²	104.8	67%	0.674	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-42.6	175.7	-72	175.5	178.9	179.5	0	111.8	A255 S256 E257 Q262 L263	A255-K259 WeakPolarHBondContact O-CG 3.27Å; A255-K259 PolarHBondContact O-N 3.01Å; S256-K259 WeakPolarHBondContact O-CB 3.23Å; S256-K259 PolarHBondContact O-N 2.67Å; E257-K259 VanDerWaalsContact C-N 3.34Å; E257-K259 PolarHBondContact O-N 2.89Å; K259-Q262 PolarHBondContact O-N 2.84Å; K259-L263 PolarHBondContact O-N 2.8Å
260	E	90.5	Very high	90.7	Very high	122 Å²	122	108.7 Å²	108.7	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-45.6	176.6	-179.2	170.5	-165.7	0	0	111.6	S256 E257 Q262 L263 L264	S256-E260 PolarHBondContact O-N 2.81Å; E257-E260 PolarHBondContact O-N 2.87Å; E260-Q262 VanDerWaalsContact C-N 3.31Å; E260-Q262 PolarHBondContact O-N 3.12Å; E260-L263 WeakPolarHBondContact O-CB 3.33Å; E260-L263 PolarHBondContact O-N 3.41Å; E260-L263 VanDerWaalsContact O-N 3.09Å; E260-L264 HydrophobicContact CG-CD1 4.07Å; E260-L264 HydrophobicContact CG-CG 4.41Å; E260-L264 WeakPolarHBondContact O-CG 3.24Å; E260-L264 PolarHBondContact O-N 2.92Å
261	N	91.1	Very high	90.7	Very high	109 Å²	109	108.1 Å²	108.1	58%	0.583	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-39.9	177.4	-161.3	-61.1	0	0	0	111.6	E257 L264 K265	E257-N261 VanDerWaalsContact O-CB 3.27Å; E257-N261 WeakPolarHBondContact O-CB 3.49Å; E257-N261 PolarHBondContact O-N 2.87Å; N261-L264 PolarHBondContact O-N 3.2Å; N261-K265 WeakPolarHBondContact O-CB 3.47Å; N261-K265 PolarHBondContact O-N 2.94Å
262	Q	90.4	Very high	90.6	Very high	136 Å²	136	105.7 Å²	105.7	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-64	-39	173.1	-171.5	175.6	5.3	0	0	112.7	R258 K259 E260 T266	R258-Q262 WeakPolarHBondContact O-CB 3.49Å; R258-Q262 PolarHBondContact O-N 3.2Å; R258-Q262 VanDerWaalsContact O-N 3.08Å; K259-Q262 PolarHBondContact O-N 2.84Å; E260-Q262 VanDerWaalsContact C-N 3.31Å; E260-Q262 PolarHBondContact O-N 3.12Å; Q262-T266 PolarHBondContact O-N 2.96Å; Q262-T266 PolarHBondContact O-OG1 3.03Å
263	L	90.8	Very high	90.7	Very high	99 Å²	99	106.9 Å²	106.9	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-44.3	174.1	179.4	65.3	0	0	0	111.7	K259 E260 T266 K267	K259-L263 PolarHBondContact O-N 2.8Å; E260-L263 WeakPolarHBondContact O-CB 3.33Å; E260-L263 PolarHBondContact O-N 3.41Å; E260-L263 VanDerWaalsContact O-N 3.09Å; L263-T266 WeakPolarHBondContact O-CB 3.42Å; L263-T266 PolarHBondContact O-N 3.34Å; L263-K267 PolarHBondContact O-N 2.88Å
264	L	89.3	Confident	90.7	Very high	92 Å²	92	105.7 Å²	105.7	48%	0.482	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-44.7	176.4	-71	171	0	0	0	111.5	E260 N261 T266 K267 C268	E260-L264 HydrophobicContact CG-CD1 4.07Å; E260-L264 HydrophobicContact CG-CG 4.41Å; E260-L264 WeakPolarHBondContact O-CG 3.24Å; E260-L264 PolarHBondContact O-N 2.92Å; N261-L264 PolarHBondContact O-N 3.2Å; L264-T266 VanDerWaalsContact C-N 3.27Å; L264-T266 PolarHBondContact O-N 2.85Å; L264-K267 WeakPolarHBondContact O-CB 3.43Å; L264-K267 PolarHBondContact O-N 2.91Å; L264-K267 VanDerWaalsContact O-N 3.16Å; L264-C268 PolarHBondContact O-N 2.83Å
265	K	92.2	Very high	90.5	Very high	145 Å²	145	106.2 Å²	106.2	63%	0.63	53%	0.532	S	S	*	.	H	α-helix	trans	-59	-38.9	174.4	-171.5	171.5	-176.1	174.1	0	112.1	N261 C268 L269	N261-K265 WeakPolarHBondContact O-CB 3.47Å; N261-K265 PolarHBondContact O-N 2.94Å; K265-C268 WeakPolarHBondContact O-CB 3.48Å; K265-C268 PolarHBondContact O-N 3.48Å; K265-L269 WeakPolarHBondContact O-CG 3.48Å; K265-L269 PolarHBondContact O-N 2.87Å
266	T	89.8	Confident	90.5	Very high	87 Å²	87	108 Å²	108	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-68.7	-38.9	176.1	-52.7	0	0	0	0	112.3	Q262 L263 L264 K270	Q262-T266 PolarHBondContact O-N 2.96Å; Q262-T266 PolarHBondContact O-OG1 3.03Å; L263-T266 WeakPolarHBondContact O-CB 3.42Å; L263-T266 PolarHBondContact O-N 3.34Å; L264-T266 VanDerWaalsContact C-N 3.27Å; L264-T266 PolarHBondContact O-N 2.85Å; T266-K270 PolarHBondContact O-N 3.16Å
267	K	90.5	Very high	90.4	Very high	118 Å²	118	107.9 Å²	107.9	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-41.2	172	-73.2	178.2	178.8	178.1	0	111.9	L263 L264 K270 N271	L263-K267 PolarHBondContact O-N 2.88Å; L264-K267 WeakPolarHBondContact O-CB 3.43Å; L264-K267 PolarHBondContact O-N 2.91Å; L264-K267 VanDerWaalsContact O-N 3.16Å; K267-K270 PolarHBondContact O-N 3.19Å; K267-N271 PolarHBondContact O-N 2.68Å; K267-N271 PolarHBondContact O-OD1 2.83Å
268	C	87.7	Confident	90.3	Very high	70 Å²	70	107 Å²	107	47%	0.473	53%	0.528	S	S	.	.	H	α-helix	trans	-58.4	-53.9	178.9	-150.7	0	0	0	0	111.1	L264 K265 K270 N271 D272	L264-C268 PolarHBondContact O-N 2.83Å; K265-C268 WeakPolarHBondContact O-CB 3.48Å; K265-C268 PolarHBondContact O-N 3.48Å; C268-K270 PolarHBondContact O-N 3.05Å; C268-N271 WeakPolarHBondContact O-CA 3.34Å; C268-N271 WeakPolarHBondContact O-CB 3.38Å; C268-N271 PolarHBondContact O-N 2.97Å; C268-D272 VanDerWaalsContact O-CG 3.29Å; C268-D272 PolarHBondContact O-N 2.86Å
269	L	91.7	Very high	90.3	Very high	112 Å²	112	104.4 Å²	104.4	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-56.7	-35.3	176.5	-69.3	169.6	0	0	0	113.2	K265 Q273	K265-L269 WeakPolarHBondContact O-CG 3.48Å; K265-L269 PolarHBondContact O-N 2.87Å; L269-Q273 PolarHBondContact O-N 3Å; L269-Q273 VanDerWaalsContact O-N 3.11Å
270	K	91.2	Very high	90.1	Very high	153 Å²	153	104.3 Å²	104.3	67%	0.665	52%	0.518	S	S	*	.	H	α-helix	trans	-68.7	-39.5	175.2	-171.1	177.8	179.6	-178.5	0	111.8	T266 K267 C268 Q273 T274	T266-K270 PolarHBondContact O-N 3.16Å; K267-K270 PolarHBondContact O-N 3.19Å; C268-K270 PolarHBondContact O-N 3.05Å; K270-Q273 PolarHBondContact O-N 2.97Å; K270-T274 PolarHBondContact O-N 3.46Å; K270-T274 VanDerWaalsContact O-N 3.1Å
271	N	89.4	Confident	90	Very high	95 Å²	95	103.7 Å²	103.7	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-44.8	175.6	-71.1	2.7	0	0	0	111	K267 C268 Q273 T274 I275	K267-N271 PolarHBondContact O-N 2.68Å; K267-N271 PolarHBondContact O-OD1 2.83Å; C268-N271 WeakPolarHBondContact O-CA 3.34Å; C268-N271 WeakPolarHBondContact O-CB 3.38Å; C268-N271 PolarHBondContact O-N 2.97Å; N271-Q273 VanDerWaalsContact C-N 3.28Å; N271-Q273 PolarHBondContact O-N 2.89Å; N271-T274 WeakPolarHBondContact CA-OG1 3.4Å; N271-T274 WeakPolarHBondContact O-CA 3.48Å; N271-T274 PolarHBondContact O-N 2.91Å; N271-T274 PolarHBondContact O-OG1 2.97Å; N271-I275 WeakPolarHBondContact O-CG1 3.48Å; N271-I275 PolarHBondContact O-N 3.45Å
272	D	90.8	Very high	89.9	Confident	76 Å²	76	102.4 Å²	102.4	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-56.1	-43.9	175.7	-59.4	-33.8	0	0	0	111.2	C268 T274 I275 L276	C268-D272 VanDerWaalsContact O-CG 3.29Å; C268-D272 PolarHBondContact O-N 2.86Å; D272-T274 VanDerWaalsContact C-N 3.34Å; D272-T274 PolarHBondContact O-N 2.92Å; D272-I275 PolarHBondContact O-N 2.88Å; D272-L276 WeakPolarHBondContact O-CG 3.19Å; D272-L276 PolarHBondContact O-N 2.99Å
273	Q	90.4	Very high	89.9	Confident	106 Å²	106	98.8 Å²	98.8	50%	0.495	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-35.3	175.3	-167.9	66.5	19.7	0	0	112.9	L269 K270 N271 N277	L269-Q273 PolarHBondContact O-N 3Å; L269-Q273 VanDerWaalsContact O-N 3.11Å; K270-Q273 PolarHBondContact O-N 2.97Å; N271-Q273 VanDerWaalsContact C-N 3.28Å; N271-Q273 PolarHBondContact O-N 2.89Å; Q273-N277 PolarHBondContact O-N 3.02Å; Q273-N277 VanDerWaalsContact O-N 3.14Å
274	T	89.6	Confident	89.8	Confident	68 Å²	68	98.9 Å²	98.9	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-70.5	-37.1	173.2	56.4	0	0	0	0	112.6	K270 N271 D272 N277 L278	K270-T274 PolarHBondContact O-N 3.46Å; K270-T274 VanDerWaalsContact O-N 3.1Å; N271-T274 WeakPolarHBondContact CA-OG1 3.4Å; N271-T274 WeakPolarHBondContact O-CA 3.48Å; N271-T274 PolarHBondContact O-N 2.91Å; N271-T274 PolarHBondContact O-OG1 2.97Å; D272-T274 VanDerWaalsContact C-N 3.34Å; D272-T274 PolarHBondContact O-N 2.92Å; T274-N277 PolarHBondContact O-N 2.95Å; T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 3.41Å
275	I	88.7	Confident	89.7	Confident	85 Å²	85	99.2 Å²	99.2	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-46	175.8	-67.9	165	0	0	0	110.2	N271 D272 N277 L278 Q279	N271-I275 WeakPolarHBondContact O-CG1 3.48Å; N271-I275 PolarHBondContact O-N 3.45Å; D272-I275 PolarHBondContact O-N 2.88Å; I275-N277 VanDerWaalsContact C-N 3.32Å; I275-N277 PolarHBondContact O-N 3.5Å; I275-L278 PolarHBondContact O-N 3.1Å; I275-Q279 HydrophobicContact CG2-CG 4.46Å; I275-Q279 WeakPolarHBondContact O-CB 3.3Å; I275-Q279 WeakPolarHBondContact O-CG 3.11Å; I275-Q279 PolarHBondContact O-N 3.33Å
276	L	90.8	Very high	89.6	Confident	87 Å²	87	96.2 Å²	96.2	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-38	175.6	-72.7	169.3	0	0	0	112.8	D272 R280	D272-L276 WeakPolarHBondContact O-CG 3.19Å; D272-L276 PolarHBondContact O-N 2.99Å; L276-R280 PolarHBondContact O-N 3.45Å; L276-R280 VanDerWaalsContact O-N 3.08Å
277	N	89.6	Confident	89.3	Confident	63 Å²	63	95.8 Å²	95.8	34%	0.337	50%	0.495	S	S	.	.	H	α-helix	trans	-68.9	-40.1	175.2	-80.1	-16.6	0	0	0	112.4	Q273 T274 I275 R280 Q281	Q273-N277 PolarHBondContact O-N 3.02Å; Q273-N277 VanDerWaalsContact O-N 3.14Å; T274-N277 PolarHBondContact O-N 2.95Å; I275-N277 VanDerWaalsContact C-N 3.32Å; I275-N277 PolarHBondContact O-N 3.5Å; N277-R280 PolarHBondContact O-N 3.27Å; N277-R280 PolarHBondContact OD1-NH1 3.28Å; N277-Q281 WeakPolarHBondContact O-CG 3.21Å; N277-Q281 PolarHBondContact O-N 3.35Å
278	L	88.7	Confident	89.2	Confident	100 Å²	100	95.3 Å²	95.3	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-42.5	174.9	-72.1	168.2	0	0	0	111.6	T274 I275 R280 Q281 V282	T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 3.41Å; I275-L278 PolarHBondContact O-N 3.1Å; L278-R280 VanDerWaalsContact C-N 3.29Å; L278-R280 PolarHBondContact O-N 3.34Å; L278-Q281 PolarHBondContact O-N 2.91Å; L278-Q281 VanDerWaalsContact O-N 3.14Å; L278-V282 WeakPolarHBondContact O-CG2 3.34Å; L278-V282 PolarHBondContact O-N 3.34Å
279	Q	90.4	Very high	89	Confident	115 Å²	115	95.9 Å²	95.9	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-40	173.2	-74.6	174.2	-13.5	0	0	112	I275 V282 A283	I275-Q279 HydrophobicContact CG2-CG 4.46Å; I275-Q279 WeakPolarHBondContact O-CB 3.3Å; I275-Q279 WeakPolarHBondContact O-CG 3.11Å; I275-Q279 PolarHBondContact O-N 3.33Å; Q279-V282 PolarHBondContact O-N 3.14Å; Q279-A283 PolarHBondContact O-N 2.86Å
280	R	88.2	Confident	88.8	Confident	153 Å²	153	94.5 Å²	94.5	58%	0.577	48%	0.484	S	S	*	.	H	α-helix	trans	-63.7	-42.4	174.1	-166.6	-176	-59.8	112	6.5	112.1	L276 N277 L278 A283 E284	L276-R280 PolarHBondContact O-N 3.45Å; L276-R280 VanDerWaalsContact O-N 3.08Å; N277-R280 PolarHBondContact O-N 3.27Å; N277-R280 PolarHBondContact OD1-NH1 3.28Å; L278-R280 VanDerWaalsContact C-N 3.29Å; L278-R280 PolarHBondContact O-N 3.34Å; R280-A283 PolarHBondContact O-N 3.19Å; R280-E284 PolarHBondContact O-N 2.86Å
281	Q	89.7	Confident	88.5	Confident	109 Å²	109	90 Å²	90	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-41.5	176.4	-71	174.7	4.9	0	0	112.1	N277 L278 E284 L285	N277-Q281 WeakPolarHBondContact O-CG 3.21Å; N277-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 PolarHBondContact O-N 2.91Å; L278-Q281 VanDerWaalsContact O-N 3.14Å; Q281-E284 PolarHBondContact O-N 2.61Å; Q281-L285 WeakPolarHBondContact O-CB 3.37Å; Q281-L285 WeakPolarHBondContact O-CG 3.46Å; Q281-L285 PolarHBondContact O-N 2.92Å
282	V	88.4	Confident	88.2	Confident	81 Å²	81	89.4 Å²	89.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174.7	171.4	0	0	0	0	111.1	L278 Q279 E284 L285 N286	L278-V282 WeakPolarHBondContact O-CG2 3.34Å; L278-V282 PolarHBondContact O-N 3.34Å; Q279-V282 PolarHBondContact O-N 3.14Å; V282-E284 PolarHBondContact O-N 2.84Å; V282-L285 PolarHBondContact O-N 3.1Å; V282-N286 WeakPolarHBondContact O-CB 3.43Å; V282-N286 VanDerWaalsContact O-CG 3.24Å; V282-N286 PolarHBondContact O-N 3Å; V282-N286 PolarHBondContact O-OD1 3.01Å
283	A	89.1	Confident	87.8	Confident	60 Å²	60	91 Å²	91	50%	0.496	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.3	0	0	0	0	0	112.6	Q279 R280 S287	Q279-A283 PolarHBondContact O-N 2.86Å; R280-A283 PolarHBondContact O-N 3.19Å; A283-S287 WeakPolarHBondContact O-CB 3.12Å; A283-S287 PolarHBondContact O-N 3.34Å
284	E	89.2	Confident	87.5	Confident	102 Å²	102	94.8 Å²	94.8	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-67.5	-40.2	176	-164.1	-167.6	141.4	0	0	112.2	R280 Q281 V282 S287 K288	R280-E284 PolarHBondContact O-N 2.86Å; Q281-E284 PolarHBondContact O-N 2.61Å; V282-E284 PolarHBondContact O-N 2.84Å; E284-S287 WeakPolarHBondContact O-CB 3.49Å; E284-S287 PolarHBondContact O-N 2.64Å; E284-K288 WeakPolarHBondContact O-CG 3.27Å; E284-K288 PolarHBondContact O-N 2.92Å; E284-K288 VanDerWaalsContact OE1-CE 3.25Å; E284-K288 WeakPolarHBondContact OE1-CE 3.21Å; E284-K288 IonicContact OE1-NZ 2.75Å; E284-K288 PolarHBondContact OE1-NZ 3.22Å
285	L	87	Confident	87.1	Confident	99 Å²	99	97 Å²	97	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-44.3	175.1	-73.3	169.4	0	0	0	111.6	Q281 V282 S287 K288 I289	Q281-L285 WeakPolarHBondContact O-CB 3.37Å; Q281-L285 WeakPolarHBondContact O-CG 3.46Å; Q281-L285 PolarHBondContact O-N 2.92Å; V282-L285 PolarHBondContact O-N 3.1Å; L285-S287 VanDerWaalsContact C-N 3.29Å; L285-S287 PolarHBondContact O-N 2.95Å; L285-K288 WeakPolarHBondContact O-CB 3.46Å; L285-K288 PolarHBondContact O-N 2.87Å; L285-K288 VanDerWaalsContact O-N 3.09Å; L285-I289 WeakPolarHBondContact O-CG1 3.35Å; L285-I289 PolarHBondContact O-N 3.41Å
286	N	89.7	Confident	86.7	Confident	82 Å²	82	97.3 Å²	97.3	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-36.9	174.6	-70.4	-6.5	0	0	0	111.8	V282 I289 N290	V282-N286 WeakPolarHBondContact O-CB 3.43Å; V282-N286 VanDerWaalsContact O-CG 3.24Å; V282-N286 PolarHBondContact O-N 3Å; V282-N286 PolarHBondContact O-OD1 3.01Å; N286-I289 PolarHBondContact O-N 3.47Å; N286-N290 WeakPolarHBondContact O-CB 3.39Å; N286-N290 PolarHBondContact O-N 3.31Å; N286-N290 PolarHBondContact O-ND2 2.83Å
287	S	85.2	Confident	86.4	Confident	77 Å²	77	97.1 Å²	97.1	54%	0.538	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-41.8	172.2	-172.7	0	0	0	0	112.3	A283 E284 L285 S291	A283-S287 WeakPolarHBondContact O-CB 3.12Å; A283-S287 PolarHBondContact O-N 3.34Å; E284-S287 WeakPolarHBondContact O-CB 3.49Å; E284-S287 PolarHBondContact O-N 2.64Å; L285-S287 VanDerWaalsContact C-N 3.29Å; L285-S287 PolarHBondContact O-N 2.95Å; S287-S291 WeakPolarHBondContact O-CB 3.39Å; S287-S291 PolarHBondContact O-N 2.86Å; S287-S291 VanDerWaalsContact O-N 3.08Å
288	K	87.6	Confident	86.1	Confident	109 Å²	109	99.7 Å²	99.7	47%	0.474	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-44.3	175.6	-70.8	169.5	-173	170.4	0	111.9	E284 L285 S291 T292	E284-K288 WeakPolarHBondContact O-CG 3.27Å; E284-K288 PolarHBondContact O-N 2.92Å; E284-K288 VanDerWaalsContact OE1-CE 3.25Å; E284-K288 WeakPolarHBondContact OE1-CE 3.21Å; E284-K288 IonicContact OE1-NZ 2.75Å; E284-K288 PolarHBondContact OE1-NZ 3.22Å; L285-K288 WeakPolarHBondContact O-CB 3.46Å; L285-K288 PolarHBondContact O-N 2.87Å; L285-K288 VanDerWaalsContact O-N 3.09Å; K288-S291 WeakPolarHBondContact O-CB 3.31Å; K288-S291 PolarHBondContact O-N 2.82Å; K288-S291 VanDerWaalsContact O-N 3.14Å; K288-T292 PolarHBondContact O-N 2.76Å; K288-T292 PolarHBondContact O-OG1 2.8Å; K288-T292 VanDerWaalsContact O-OG1 3.13Å
289	I	84.5	Confident	85.7	Confident	81 Å²	81	100.9 Å²	100.9	42%	0.415	51%	0.514	S	S	.	.	H	α-helix	trans	-56.4	-55.6	175.7	-70	165.4	0	0	0	110.1	L285 N286 S291 T292 E293	L285-I289 WeakPolarHBondContact O-CG1 3.35Å; L285-I289 PolarHBondContact O-N 3.41Å; N286-I289 PolarHBondContact O-N 3.47Å; I289-S291 PolarHBondContact O-N 2.87Å; I289-S291 VanDerWaalsContact O-N 3.13Å; I289-T292 WeakPolarHBondContact CA-OG1 3.45Å; I289-T292 CarbonylContact O-C 3.55Å; I289-T292 PolarHBondContact O-N 2.92Å; I289-T292 PolarHBondContact O-OG1 3.39Å; I289-E293 HydrophobicContact CG2-CG 4.31Å; I289-E293 WeakPolarHBondContact CG2-OE1 3.49Å; I289-E293 WeakPolarHBondContact O-CG 3.32Å; I289-E293 PolarHBondContact O-N 3.42Å
290	N	85.7	Confident	85.4	Confident	84 Å²	84	100.5 Å²	100.5	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-56.1	-32.6	177.2	-68	-15.2	0	0	0	112.7	N286 R294	N286-N290 WeakPolarHBondContact O-CB 3.39Å; N286-N290 PolarHBondContact O-N 3.31Å; N286-N290 PolarHBondContact O-ND2 2.83Å; N290-R294 VanDerWaalsContact O-CG 3.29Å; N290-R294 WeakPolarHBondContact O-CG 3.34Å; N290-R294 PolarHBondContact O-N 2.75Å
291	S	85.2	Confident	85.1	Confident	59 Å²	59	97.2 Å²	97.2	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-73.6	-41.5	175.4	-163.1	0	0	0	0	112.5	S287 K288 I289 R294 H295	S287-S291 WeakPolarHBondContact O-CB 3.39Å; S287-S291 PolarHBondContact O-N 2.86Å; S287-S291 VanDerWaalsContact O-N 3.08Å; K288-S291 WeakPolarHBondContact O-CB 3.31Å; K288-S291 PolarHBondContact O-N 2.82Å; K288-S291 VanDerWaalsContact O-N 3.14Å; I289-S291 PolarHBondContact O-N 2.87Å; I289-S291 VanDerWaalsContact O-N 3.13Å; S291-R294 PolarHBondContact O-N 2.87Å; S291-H295 PolarHBondContact O-CD2 3.03Å; S291-H295 PolarHBondContact O-N 2.87Å
292	T	83.9	Confident	84.6	Confident	82 Å²	82	94.9 Å²	94.9	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-69	-34	175.3	46.4	0	0	0	0	112.7	K288 I289 H295 T296	K288-T292 PolarHBondContact O-N 2.76Å; K288-T292 PolarHBondContact O-OG1 2.8Å; K288-T292 VanDerWaalsContact O-OG1 3.13Å; I289-T292 WeakPolarHBondContact CA-OG1 3.45Å; I289-T292 CarbonylContact O-C 3.55Å; I289-T292 PolarHBondContact O-N 2.92Å; I289-T292 PolarHBondContact O-OG1 3.39Å; T292-H295 PolarHBondContact O-N 2.97Å; T292-T296 WeakPolarHBondContact O-CB 3.12Å; T292-T296 PolarHBondContact O-N 2.91Å; T292-T296 PolarHBondContact O-OG1 3.44Å
293	E	83.2	Confident	84.1	Confident	109 Å²	109	97.1 Å²	97.1	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-45.9	173	-73	174.3	168.2	0	0	111	I289 H295 T296 E297	I289-E293 HydrophobicContact CG2-CG 4.31Å; I289-E293 WeakPolarHBondContact CG2-OE1 3.49Å; I289-E293 WeakPolarHBondContact O-CG 3.32Å; I289-E293 PolarHBondContact O-N 3.42Å; E293-H295 PolarHBondContact O-N 3.49Å; E293-T296 PolarHBondContact O-N 2.96Å; E293-T296 VanDerWaalsContact O-N 3.16Å; E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 PolarHBondContact O-N 2.97Å
294	R	82.9	Confident	83.7	Confident	186 Å²	186	99 Å²	99	70%	0.702	51%	0.51	S	S	*	.	H	α-helix	trans	-59.6	-42.3	173.4	-74.3	172.6	-176.6	178.9	2	112.6	N290 S291 E297 L298	N290-R294 VanDerWaalsContact O-CG 3.29Å; N290-R294 WeakPolarHBondContact O-CG 3.34Å; N290-R294 PolarHBondContact O-N 2.75Å; S291-R294 PolarHBondContact O-N 2.87Å; R294-E297 PolarHBondContact O-N 3.2Å; R294-L298 WeakPolarHBondContact O-CB 3.33Å; R294-L298 VanDerWaalsContact O-CG 3.27Å; R294-L298 WeakPolarHBondContact O-CG 3.37Å; R294-L298 PolarHBondContact O-N 3.48Å
295	H	82.4	Confident	83.2	Confident	115 Å²	115	97.8 Å²	97.8	53%	0.532	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-39.3	174	-81.1	-50.3	0	0	0	112.4	S291 T292 E293 L298 L299	S291-H295 PolarHBondContact O-CD2 3.03Å; S291-H295 PolarHBondContact O-N 2.87Å; T292-H295 PolarHBondContact O-N 2.97Å; E293-H295 PolarHBondContact O-N 3.49Å; H295-L298 PolarHBondContact O-N 2.87Å; H295-L299 WeakPolarHBondContact O-CB 3.46Å; H295-L299 VanDerWaalsContact O-CG 3.31Å; H295-L299 WeakPolarHBondContact O-CG 3.36Å; H295-L299 PolarHBondContact O-N 3.27Å
296	T	79.9	Confident	82.7	Confident	90 Å²	90	98.5 Å²	98.5	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-43.2	176.9	-55.2	0	0	0	0	111.1	T292 E293 L299 K300	T292-T296 WeakPolarHBondContact O-CB 3.12Å; T292-T296 PolarHBondContact O-N 2.91Å; T292-T296 PolarHBondContact O-OG1 3.44Å; E293-T296 PolarHBondContact O-N 2.96Å; E293-T296 VanDerWaalsContact O-N 3.16Å; T296-L299 PolarHBondContact O-N 3.01Å; T296-K300 VanDerWaalsContact O-CB 3.27Å; T296-K300 WeakPolarHBondContact O-CB 3.19Å; T296-K300 PolarHBondContact O-N 3.43Å
297	E	84.4	Confident	82.2	Confident	84 Å²	84	96.1 Å²	96.1	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-37.9	177	-167.5	56	-142	0	0	111.6	E293 R294 K300 N301	E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 PolarHBondContact O-N 2.97Å; R294-E297 PolarHBondContact O-N 3.2Å; E297-K300 PolarHBondContact O-N 2.84Å; E297-K300 IonicContact OE1-NZ 3.19Å; E297-K300 PolarHBondContact OE1-NZ 2.89Å; E297-K300 IonicContact OE2-NZ 4Å; E297-K300 PolarHBondContact OE2-NZ 3.02Å; E297-N301 WeakPolarHBondContact O-CB 3.13Å; E297-N301 PolarHBondContact O-N 3.37Å; E297-N301 PolarHBondContact O-ND2 3.23Å; E297-N301 PolarHBondContact OE1-ND2 3.05Å
298	L	83.7	Confident	82	Confident	117 Å²	117	98.5 Å²	98.5	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-44.4	171.4	-76.1	168.7	0	0	0	112.3	R294 H295 N301 A302	R294-L298 WeakPolarHBondContact O-CB 3.33Å; R294-L298 VanDerWaalsContact O-CG 3.27Å; R294-L298 WeakPolarHBondContact O-CG 3.37Å; R294-L298 PolarHBondContact O-N 3.48Å; H295-L298 PolarHBondContact O-N 2.87Å; L298-N301 PolarHBondContact O-N 2.88Å; L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 3.37Å
299	L	79.6	Confident	81.5	Confident	124 Å²	124	98.1 Å²	98.1	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-63.6	-41.5	176	-76.2	166.9	0	0	0	111.8	H295 T296 A302 L303	H295-L299 WeakPolarHBondContact O-CB 3.46Å; H295-L299 VanDerWaalsContact O-CG 3.31Å; H295-L299 WeakPolarHBondContact O-CG 3.36Å; H295-L299 PolarHBondContact O-N 3.27Å; T296-L299 PolarHBondContact O-N 3.01Å; L299-A302 PolarHBondContact O-N 2.83Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 PolarHBondContact O-N 2.97Å
300	K	83.7	Confident	81.2	Confident	108 Å²	108	100 Å²	100	47%	0.47	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-46.8	174.6	167.7	168.5	159.7	-99.3	0	112	T296 E297 A302 L303 E304	T296-K300 VanDerWaalsContact O-CB 3.27Å; T296-K300 WeakPolarHBondContact O-CB 3.19Å; T296-K300 PolarHBondContact O-N 3.43Å; E297-K300 PolarHBondContact O-N 2.84Å; E297-K300 IonicContact OE1-NZ 3.19Å; E297-K300 PolarHBondContact OE1-NZ 2.89Å; E297-K300 IonicContact OE2-NZ 4Å; E297-K300 PolarHBondContact OE2-NZ 3.02Å; K300-A302 PolarHBondContact O-N 2.8Å; K300-L303 PolarHBondContact O-N 3.18Å; K300-E304 WeakPolarHBondContact O-CB 3.46Å; K300-E304 PolarHBondContact O-N 2.96Å
301	N	82.9	Confident	80.8	Confident	84 Å²	84	100.5 Å²	100.5	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-37.4	175.5	-79.1	-76	0	0	0	112.4	E297 L298 S305	E297-N301 WeakPolarHBondContact O-CB 3.13Å; E297-N301 PolarHBondContact O-N 3.37Å; E297-N301 PolarHBondContact O-ND2 3.23Å; E297-N301 PolarHBondContact OE1-ND2 3.05Å; L298-N301 PolarHBondContact O-N 2.88Å; N301-S305 VanDerWaalsContact O-CB 3.31Å; N301-S305 WeakPolarHBondContact O-CB 3.19Å; N301-S305 PolarHBondContact O-N 3.06Å
302	A	79.4	Confident	80.5	Confident	59 Å²	59	106.8 Å²	106.8	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-41.5	173.5	0	0	0	0	0	112.2	L298 L299 K300 S305 L306	L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 3.37Å; L299-A302 PolarHBondContact O-N 2.83Å; K300-A302 PolarHBondContact O-N 2.8Å; A302-S305 PolarHBondContact O-N 2.69Å; A302-L306 WeakPolarHBondContact O-CB 3.39Å; A302-L306 PolarHBondContact O-N 2.9Å
303	L	77.9	Confident	80.3	Confident	129 Å²	129	106 Å²	106	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-42.1	176.1	-162.7	91.8	0	0	0	111.7	L299 K300 L306 G307	L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 PolarHBondContact O-N 2.97Å; K300-L303 PolarHBondContact O-N 3.18Å; L303-L306 PolarHBondContact O-N 2.89Å; L303-G307 PolarHBondContact O-N 3.23Å
304	E	80.7	Confident	80	Confident	98 Å²	98	107.5 Å²	107.5	46%	0.458	53%	0.53	S	S	.	.	H	α-helix	trans	-68.6	-37	177.5	-161.4	-170.8	132.4	0	0	111.8	K300 G307 K308	K300-E304 WeakPolarHBondContact O-CB 3.46Å; K300-E304 PolarHBondContact O-N 2.96Å; E304-G307 PolarHBondContact O-N 2.85Å; E304-K308 WeakPolarHBondContact O-CG 3.28Å; E304-K308 PolarHBondContact O-N 3.04Å; E304-K308 VanDerWaalsContact OE1-CE 3.23Å; E304-K308 WeakPolarHBondContact OE1-CE 3.34Å; E304-K308 IonicContact OE1-NZ 2.8Å; E304-K308 PolarHBondContact OE1-NZ 3.41Å
305	S	78.2	Confident	79.7	Confident	78 Å²	78	101.5 Å²	101.5	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-48.9	170.7	-173.7	0	0	0	0	111.4	N301 A302 G307 K308 E309	N301-S305 VanDerWaalsContact O-CB 3.31Å; N301-S305 WeakPolarHBondContact O-CB 3.19Å; N301-S305 PolarHBondContact O-N 3.06Å; A302-S305 PolarHBondContact O-N 2.69Å; S305-G307 VanDerWaalsContact C-N 3.31Å; S305-G307 PolarHBondContact O-N 3.36Å; S305-K308 WeakPolarHBondContact O-CB 3.27Å; S305-K308 PolarHBondContact O-N 2.94Å; S305-K308 VanDerWaalsContact O-N 3.15Å; S305-E309 PolarHBondContact O-N 3.39Å
306	L	77.2	Confident	79.6	Confident	114 Å²	114	100.4 Å²	100.4	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-37.3	177	-170.8	68.7	0	0	0	112	A302 L303 E309 H310	A302-L306 WeakPolarHBondContact O-CB 3.39Å; A302-L306 PolarHBondContact O-N 2.9Å; L303-L306 PolarHBondContact O-N 2.89Å; L306-E309 PolarHBondContact O-N 3.44Å; L306-H310 VanDerWaalsContact O-CB 3.31Å; L306-H310 WeakPolarHBondContact O-CB 3.31Å; L306-H310 PolarHBondContact O-N 3.4Å
307	G	77.3	Confident	79.5	Confident	31 Å²	31	102.9 Å²	102.9	32%	0.32	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-38.7	173.8	0	0	0	0	0	113	L303 E304 S305 N311	L303-G307 PolarHBondContact O-N 3.23Å; E304-G307 PolarHBondContact O-N 2.85Å; S305-G307 VanDerWaalsContact C-N 3.31Å; S305-G307 PolarHBondContact O-N 3.36Å; G307-N311 WeakPolarHBondContact O-CB 3.18Å; G307-N311 VanDerWaalsContact O-CG 3.23Å; G307-N311 PolarHBondContact O-N 3.08Å; G307-N311 PolarHBondContact O-ND2 2.62Å
308	K	81.1	Confident	79.2	Confident	128 Å²	128	102.3 Å²	102.3	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-68.1	-40.1	173.7	-70.8	164.1	-174.2	168.2	0	111.9	E304 S305 R312	E304-K308 WeakPolarHBondContact O-CG 3.28Å; E304-K308 PolarHBondContact O-N 3.04Å; E304-K308 VanDerWaalsContact OE1-CE 3.23Å; E304-K308 WeakPolarHBondContact OE1-CE 3.34Å; E304-K308 IonicContact OE1-NZ 2.8Å; E304-K308 PolarHBondContact OE1-NZ 3.41Å; S305-K308 WeakPolarHBondContact O-CB 3.27Å; S305-K308 PolarHBondContact O-N 2.94Å; S305-K308 VanDerWaalsContact O-N 3.15Å; K308-R312 WeakPolarHBondContact O-CB 3.42Å; K308-R312 PolarHBondContact O-N 2.93Å
309	E	78.3	Confident	78.9	Confident	101 Å²	101	100.8 Å²	100.8	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-49.6	173.9	-132.6	-73.1	120.7	0	0	111	S305 L306 N311 R312 L313	S305-E309 PolarHBondContact O-N 3.39Å; L306-E309 PolarHBondContact O-N 3.44Å; E309-N311 PolarHBondContact O-N 3.24Å; E309-R312 WeakPolarHBondContact O-CB 3.5Å; E309-R312 PolarHBondContact O-N 3.48Å; E309-L313 PolarHBondContact O-N 2.93Å; E309-L313 VanDerWaalsContact OE2-CD1 3.25Å; E309-L313 WeakPolarHBondContact OE2-CD1 3.42Å
310	H	76.8	Confident	78.7	Confident	120 Å²	120	100.6 Å²	100.6	56%	0.556	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-42.6	178.1	-173.1	76.4	0	0	0	112.6	L306 R312 L313 R314	L306-H310 VanDerWaalsContact O-CB 3.31Å; L306-H310 WeakPolarHBondContact O-CB 3.31Å; L306-H310 PolarHBondContact O-N 3.4Å; H310-R312 VanDerWaalsContact C-N 3.35Å; H310-R312 PolarHBondContact O-N 2.75Å; H310-L313 PolarHBondContact O-N 3.45Å; H310-R314 VanDerWaalsContact O-CB 3.26Å; H310-R314 WeakPolarHBondContact O-CB 3.5Å; H310-R314 PolarHBondContact O-N 2.9Å
311	N	77.8	Confident	78.2	Confident	95 Å²	95	99.5 Å²	99.5	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-38.9	175	-75.6	-22.7	0	0	0	111.9	G307 E309 R314 S315	G307-N311 WeakPolarHBondContact O-CB 3.18Å; G307-N311 VanDerWaalsContact O-CG 3.23Å; G307-N311 PolarHBondContact O-N 3.08Å; G307-N311 PolarHBondContact O-ND2 2.62Å; E309-N311 PolarHBondContact O-N 3.24Å; N311-R314 PolarHBondContact O-N 2.72Å; N311-S315 PolarHBondContact O-N 2.68Å; N311-S315 PolarHBondContact O-OG 3.05Å
312	R	80	Confident	77.9	Confident	190 Å²	190	101.5 Å²	101.5	72%	0.717	50%	0.504	S	S	*	.	H	α-helix	trans	-65.3	-43.4	175.1	-178.3	-176.7	177.9	-174.7	-0.9	112	K308 E309 H310 R314 N316	K308-R312 WeakPolarHBondContact O-CB 3.42Å; K308-R312 PolarHBondContact O-N 2.93Å; E309-R312 WeakPolarHBondContact O-CB 3.5Å; E309-R312 PolarHBondContact O-N 3.48Å; H310-R312 VanDerWaalsContact C-N 3.35Å; H310-R312 PolarHBondContact O-N 2.75Å; R312-R314 VanDerWaalsContact C-N 3.35Å; R312-N316 WeakPolarHBondContact O-CB 3.37Å; R312-N316 PolarHBondContact O-N 2.85Å; R312-N316 VanDerWaalsContact O-N 3.09Å
313	L	78	Confident	77.7	Confident	66 Å²	66	106 Å²	106	35%	0.346	51%	0.508	S	S	.	.	H	α-helix	trans	-59.8	-46.2	172.2	-91.1	160.1	0	0	0	111.1	E309 H310 N316 Y317	E309-L313 PolarHBondContact O-N 2.93Å; E309-L313 VanDerWaalsContact OE2-CD1 3.25Å; E309-L313 WeakPolarHBondContact OE2-CD1 3.42Å; H310-L313 PolarHBondContact O-N 3.45Å; L313-N316 PolarHBondContact O-N 3.04Å; L313-Y317 HydrophobicContact CD2-CE2 3.94Å; L313-Y317 WeakPolarHBondContact O-CD2 3.46Å; L313-Y317 PolarHBondContact O-N 2.92Å
314	R	77.6	Confident	77.4	Confident	140 Å²	140	104.7 Å²	104.7	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-58.2	-52.5	178.5	179.4	-178.8	166.6	166.7	1.5	111.7	H310 N311 R312 N316 Y317 E318	H310-R314 VanDerWaalsContact O-CB 3.26Å; H310-R314 WeakPolarHBondContact O-CB 3.5Å; H310-R314 PolarHBondContact O-N 2.9Å; N311-R314 PolarHBondContact O-N 2.72Å; R312-R314 VanDerWaalsContact C-N 3.35Å; R314-N316 VanDerWaalsContact C-N 3.31Å; R314-N316 PolarHBondContact O-N 3.24Å; R314-Y317 CarbonylContact O-C 3.51Å; R314-Y317 WeakPolarHBondContact O-CA 3.34Å; R314-Y317 WeakPolarHBondContact O-CB 3.39Å; R314-Y317 PolarHBondContact O-N 3.13Å; R314-E318 HydrophobicContact CG-CG 4.39Å; R314-E318 IonicContact CZ-OE1 3.85Å; R314-E318 VanDerWaalsContact CZ-OE1 3.23Å; R314-E318 IonicContact NE-OE1 3.66Å; R314-E318 PolarHBondContact NE-OE1 3.04Å; R314-E318 IonicContact NE-OE2 2.81Å; R314-E318 IonicContact NH2-OE1 2.9Å; R314-E318 PolarHBondContact NH2-OE1 3.28Å; R314-E318 WeakPolarHBondContact O-CG 2.84Å; R314-E318 PolarHBondContact O-N 2.95Å
315	S	76.6	Confident	77.1	Confident	61 Å²	61	105.5 Å²	105.5	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-37.6	177.7	-60	0	0	0	0	112.3	N311 Y317 E318 D319	N311-S315 PolarHBondContact O-N 2.68Å; N311-S315 PolarHBondContact O-OG 3.05Å; S315-Y317 VanDerWaalsContact C-N 3.28Å; S315-Y317 PolarHBondContact O-N 3.27Å; S315-E318 PolarHBondContact O-N 2.66Å; S315-D319 WeakPolarHBondContact O-CB 3.28Å; S315-D319 VanDerWaalsContact O-CG 3.3Å; S315-D319 PolarHBondContact O-N 2.86Å
316	N	80.7	Confident	76.8	Confident	92 Å²	92	104.7 Å²	104.7	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-29.6	175	-166.8	10	0	0	0	112.5	R312 L313 R314 K320	R312-N316 WeakPolarHBondContact O-CB 3.37Å; R312-N316 PolarHBondContact O-N 2.85Å; R312-N316 VanDerWaalsContact O-N 3.09Å; L313-N316 PolarHBondContact O-N 3.04Å; R314-N316 VanDerWaalsContact C-N 3.31Å; R314-N316 PolarHBondContact O-N 3.24Å; N316-K320 VanDerWaalsContact O-CB 3.3Å; N316-K320 WeakPolarHBondContact O-CB 3.48Å; N316-K320 PolarHBondContact O-N 3.23Å
317	Y	78.2	Confident	76.5	Confident	142 Å²	142	102.9 Å²	102.9	56%	0.557	50%	0.5	S	S	*	.	H	α-helix	trans	-76.1	-39.7	169.3	-77	-61.5	0	0	0	112.7	L313 R314 S315 K320 I321	L313-Y317 HydrophobicContact CD2-CE2 3.94Å; L313-Y317 WeakPolarHBondContact O-CD2 3.46Å; L313-Y317 PolarHBondContact O-N 2.92Å; R314-Y317 CarbonylContact O-C 3.51Å; R314-Y317 WeakPolarHBondContact O-CA 3.34Å; R314-Y317 WeakPolarHBondContact O-CB 3.39Å; R314-Y317 PolarHBondContact O-N 3.13Å; S315-Y317 VanDerWaalsContact C-N 3.28Å; S315-Y317 PolarHBondContact O-N 3.27Å; Y317-K320 CarbonylContact O-C 3.56Å; Y317-K320 WeakPolarHBondContact O-CA 3.38Å; Y317-K320 WeakPolarHBondContact O-CB 3.38Å; Y317-K320 PolarHBondContact O-N 3.48Å; Y317-K320 VanDerWaalsContact O-N 3.08Å; Y317-I321 WeakPolarHBondContact O-CB 3.09Å; Y317-I321 VanDerWaalsContact O-CG1 3.31Å; Y317-I321 WeakPolarHBondContact O-CG1 3.48Å; Y317-I321 PolarHBondContact O-N 2.93Å
318	E	78.3	Confident	75.9	Confident	72 Å²	72	106.7 Å²	106.7	34%	0.336	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-44	175.3	-71.8	167.9	156.4	0	0	110.8	R314 S315 K320 I321 Q322	R314-E318 HydrophobicContact CG-CG 4.39Å; R314-E318 IonicContact CZ-OE1 3.85Å; R314-E318 VanDerWaalsContact CZ-OE1 3.23Å; R314-E318 IonicContact NE-OE1 3.66Å; R314-E318 PolarHBondContact NE-OE1 3.04Å; R314-E318 IonicContact NE-OE2 2.81Å; R314-E318 IonicContact NH2-OE1 2.9Å; R314-E318 PolarHBondContact NH2-OE1 3.28Å; R314-E318 WeakPolarHBondContact O-CG 2.84Å; R314-E318 PolarHBondContact O-N 2.95Å; S315-E318 PolarHBondContact O-N 2.66Å; E318-K320 PolarHBondContact O-N 3.5Å; E318-I321 PolarHBondContact O-N 3.01Å; E318-Q322 WeakPolarHBondContact O-CG 3.47Å; E318-Q322 PolarHBondContact O-N 2.72Å
319	D	77.1	Confident	75.3	Confident	85 Å²	85	103.5 Å²	103.5	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-59.3	-30.7	170.7	-74.7	-18.1	0	0	0	112.8	S315 R323	S315-D319 WeakPolarHBondContact O-CB 3.28Å; S315-D319 VanDerWaalsContact O-CG 3.3Å; S315-D319 PolarHBondContact O-N 2.86Å; D319-R323 WeakPolarHBondContact O-CB 3.4Å; D319-R323 WeakPolarHBondContact O-CG 3.32Å; D319-R323 PolarHBondContact O-N 2.95Å; D319-R323 PolarHBondContact O-NE 2.87Å
320	K	76.1	Confident	74.7	Confident	119 Å²	119	102 Å²	102	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-84	-34.4	-178.9	-160.9	175.1	-171.1	-179.3	0	111.2	N316 Y317 E318 L324	N316-K320 VanDerWaalsContact O-CB 3.3Å; N316-K320 WeakPolarHBondContact O-CB 3.48Å; N316-K320 PolarHBondContact O-N 3.23Å; Y317-K320 CarbonylContact O-C 3.56Å; Y317-K320 WeakPolarHBondContact O-CA 3.38Å; Y317-K320 WeakPolarHBondContact O-CB 3.38Å; Y317-K320 PolarHBondContact O-N 3.48Å; Y317-K320 VanDerWaalsContact O-N 3.08Å; E318-K320 PolarHBondContact O-N 3.5Å; K320-L324 WeakPolarHBondContact O-CB 3.28Å; K320-L324 VanDerWaalsContact O-CG 3.28Å; K320-L324 WeakPolarHBondContact O-CG 3.16Å; K320-L324 PolarHBondContact O-N 3.11Å
321	I	72.7	Confident	73.8	Confident	86 Å²	86	99.7 Å²	99.7	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-51.7	169.5	-72	165.2	0	0	0	109.1	Y317 E318 R323 L324 E325	Y317-I321 WeakPolarHBondContact O-CB 3.09Å; Y317-I321 VanDerWaalsContact O-CG1 3.31Å; Y317-I321 WeakPolarHBondContact O-CG1 3.48Å; Y317-I321 PolarHBondContact O-N 2.93Å; E318-I321 PolarHBondContact O-N 3.01Å; I321-R323 VanDerWaalsContact C-N 3.27Å; I321-R323 PolarHBondContact O-N 3.35Å; I321-L324 CarbonylContact O-C 3.56Å; I321-L324 WeakPolarHBondContact O-CA 3.44Å; I321-L324 WeakPolarHBondContact O-CB 3.35Å; I321-L324 PolarHBondContact O-N 2.87Å; I321-E325 HydrophobicContact CG2-CG 4.08Å; I321-E325 WeakPolarHBondContact O-CB 3.4Å; I321-E325 WeakPolarHBondContact O-CG 3.31Å; I321-E325 PolarHBondContact O-N 3.01Å
322	Q	76.4	Confident	72.8	Confident	125 Å²	125	97.2 Å²	97.2	58%	0.584	50%	0.5	S	S	*	.	H	α-helix	trans	-58.7	-36.5	177.7	-72.5	-176.5	9.2	0	0	113.1	E318 A326	E318-Q322 WeakPolarHBondContact O-CG 3.47Å; E318-Q322 PolarHBondContact O-N 2.72Å; Q322-A326 VanDerWaalsContact O-CB 3.29Å; Q322-A326 WeakPolarHBondContact O-CB 3.42Å; Q322-A326 PolarHBondContact O-N 3.37Å
323	R	75.1	Confident	71.9	Confident	153 Å²	153	91.2 Å²	91.2	58%	0.577	49%	0.491	S	S	*	.	H	α-helix	trans	-69.2	-36.5	172.7	-81.4	176.3	-74	176.3	-5.7	113.1	D319 I321 S327	D319-R323 WeakPolarHBondContact O-CB 3.4Å; D319-R323 WeakPolarHBondContact O-CG 3.32Å; D319-R323 PolarHBondContact O-N 2.95Å; D319-R323 PolarHBondContact O-NE 2.87Å; I321-R323 VanDerWaalsContact C-N 3.27Å; I321-R323 PolarHBondContact O-N 3.35Å; R323-S327 VanDerWaalsContact O-CB 3.31Å; R323-S327 WeakPolarHBondContact O-CB 3.33Å; R323-S327 PolarHBondContact O-N 3.07Å
324	L	72.1	Confident	70.9	Confident	103 Å²	103	93 Å²	93	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-69.1	-42.2	172.6	-74.7	167	0	0	0	111.3	K320 I321 S327 I328	K320-L324 WeakPolarHBondContact O-CB 3.28Å; K320-L324 VanDerWaalsContact O-CG 3.28Å; K320-L324 WeakPolarHBondContact O-CG 3.16Å; K320-L324 PolarHBondContact O-N 3.11Å; I321-L324 CarbonylContact O-C 3.56Å; I321-L324 WeakPolarHBondContact O-CA 3.44Å; I321-L324 WeakPolarHBondContact O-CB 3.35Å; I321-L324 PolarHBondContact O-N 2.87Å; L324-S327 CarbonylContact O-C 3.58Å; L324-S327 PolarHBondContact O-N 3.43Å; L324-I328 VanDerWaalsContact O-CB 3.27Å; L324-I328 WeakPolarHBondContact O-CB 3.18Å; L324-I328 WeakPolarHBondContact O-CD1 3.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.41Å; L324-I328 PolarHBondContact O-N 3.22Å
325	E	74.2	Confident	69.8	Low	114 Å²	114	91.8 Å²	91.8	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.2	-71	172.6	150.4	0	0	111.3	I321 I328 A329	I321-E325 HydrophobicContact CG2-CG 4.08Å; I321-E325 WeakPolarHBondContact O-CB 3.4Å; I321-E325 WeakPolarHBondContact O-CG 3.31Å; I321-E325 PolarHBondContact O-N 3.01Å; E325-I328 PolarHBondContact O-N 3.49Å; E325-A329 VanDerWaalsContact O-CB 3.28Å; E325-A329 WeakPolarHBondContact O-CB 2.99Å; E325-A329 PolarHBondContact O-N 2.73Å
326	A	71	Confident	68.8	Low	62 Å²	62	93.3 Å²	93.3	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-41.6	172.8	0	0	0	0	0	112.2	Q322 I328 A329 S330	Q322-A326 VanDerWaalsContact O-CB 3.29Å; Q322-A326 WeakPolarHBondContact O-CB 3.42Å; Q322-A326 PolarHBondContact O-N 3.37Å; A326-I328 VanDerWaalsContact C-N 3.34Å; A326-A329 PolarHBondContact O-N 3.23Å; A326-S330 WeakPolarHBondContact O-CB 3.39Å; A326-S330 PolarHBondContact O-N 3.44Å
327	S	71.2	Confident	67.5	Low	76 Å²	76	92.4 Å²	92.4	53%	0.531	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-33.3	175.7	-168.2	0	0	0	0	112.6	R323 L324 S331	R323-S327 VanDerWaalsContact O-CB 3.31Å; R323-S327 WeakPolarHBondContact O-CB 3.33Å; R323-S327 PolarHBondContact O-N 3.07Å; L324-S327 CarbonylContact O-C 3.58Å; L324-S327 PolarHBondContact O-N 3.43Å; S327-S331 WeakPolarHBondContact O-CB 3.35Å; S327-S331 PolarHBondContact O-N 2.92Å
328	I	64.1	Low	66.4	Low	111 Å²	111	92.3 Å²	92.3	57%	0.569	51%	0.51	S	S	*	.	H	α-helix	trans	-75.1	-37.8	175.6	-72.5	163.6	0	0	0	110.1	L324 E325 A326 S331 A332	L324-I328 VanDerWaalsContact O-CB 3.27Å; L324-I328 WeakPolarHBondContact O-CB 3.18Å; L324-I328 WeakPolarHBondContact O-CD1 3.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.41Å; L324-I328 PolarHBondContact O-N 3.22Å; E325-I328 PolarHBondContact O-N 3.49Å; A326-I328 VanDerWaalsContact C-N 3.34Å; I328-S331 CarbonylContact O-C 3.6Å; I328-S331 PolarHBondContact O-N 2.67Å; I328-A332 WeakPolarHBondContact O-CA 3.29Å; I328-A332 WeakPolarHBondContact O-CB 3.44Å; I328-A332 PolarHBondContact O-N 3.02Å
329	A	68.3	Low	65.1	Low	61 Å²	61	93 Å²	93	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-41.9	174	0	0	0	0	0	111.7	E325 A326 A332 A333	E325-A329 VanDerWaalsContact O-CB 3.28Å; E325-A329 WeakPolarHBondContact O-CB 2.99Å; E325-A329 PolarHBondContact O-N 2.73Å; A326-A329 PolarHBondContact O-N 3.23Å; A329-A332 PolarHBondContact O-N 2.94Å; A329-A333 PolarHBondContact O-N 3.31Å
330	S	65.8	Low	64	Low	69 Å²	69	92.4 Å²	92.4	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-60.5	-52.5	170.3	-169.7	0	0	0	0	110.7	A326 A332 A333 D334	A326-S330 WeakPolarHBondContact O-CB 3.39Å; A326-S330 PolarHBondContact O-N 3.44Å; S330-A332 PolarHBondContact O-N 3.49Å; S330-A333 PolarHBondContact O-N 3.45Å; S330-A333 VanDerWaalsContact O-N 3.15Å; S330-D334 PolarHBondContact O-N 3.43Å
331	S	59	Low	63	Low	71 Å²	71	94.4 Å²	94.4	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-28.5	179.2	-174.3	0	0	0	0	112.8	S327 I328 F335	S327-S331 WeakPolarHBondContact O-CB 3.35Å; S327-S331 PolarHBondContact O-N 2.92Å; I328-S331 CarbonylContact O-C 3.6Å; I328-S331 PolarHBondContact O-N 2.67Å; S331-F335 WeakPolarHBondContact O-CB 3.35Å; S331-F335 PolarHBondContact O-N 3.39Å
332	A	57.2	Low	62	Low	43 Å²	43	95.2 Å²	95.2	36%	0.355	53%	0.526	S	S	.	.	H	α-helix	trans	-77.5	-34.2	176.8	0	0	0	0	0	111.8	I328 A329 S330 F335 D336	I328-A332 WeakPolarHBondContact O-CA 3.29Å; I328-A332 WeakPolarHBondContact O-CB 3.44Å; I328-A332 PolarHBondContact O-N 3.02Å; A329-A332 PolarHBondContact O-N 2.94Å; S330-A332 PolarHBondContact O-N 3.49Å; A332-F335 PolarHBondContact O-N 3Å; A332-D336 WeakPolarHBondContact O-CB 3.41Å; A332-D336 PolarHBondContact O-N 3.06Å
333	A	59.3	Low	60.8	Low	65 Å²	65	93.3 Å²	93.3	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-41.6	169.9	0	0	0	0	0	111.4	A329 S330 F335 S337	A329-A333 PolarHBondContact O-N 3.31Å; S330-A333 PolarHBondContact O-N 3.45Å; S330-A333 VanDerWaalsContact O-N 3.15Å; A333-F335 VanDerWaalsContact C-N 3.34Å; A333-S337 WeakPolarHBondContact O-CB 3.45Å; A333-S337 PolarHBondContact O-N 2.92Å
334	D	57	Low	59.8	Low	103 Å²	103	91.2 Å²	91.2	55%	0.551	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-36	171.3	-70.4	-43.5	0	0	0	112	S330 S337 M338	S330-D334 PolarHBondContact O-N 3.43Å; D334-S337 WeakPolarHBondContact O-CB 3.22Å; D334-S337 PolarHBondContact O-N 3.46Å; D334-M338 PolarHBondContact O-N 2.98Å
335	F	56.3	Low	58.8	Low	114 Å²	114	90.2 Å²	90.2	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-43.9	175.9	-158.1	-84.6	0	0	0	111.5	S331 A332 A333 S337 M338 K339	S331-F335 WeakPolarHBondContact O-CB 3.35Å; S331-F335 PolarHBondContact O-N 3.39Å; A332-F335 PolarHBondContact O-N 3Å; A333-F335 VanDerWaalsContact C-N 3.34Å; F335-S337 PolarHBondContact O-N 3.46Å; F335-M338 CarbonylContact O-C 3.58Å; F335-M338 WeakPolarHBondContact O-CB 3.41Å; F335-M338 PolarHBondContact O-N 3.36Å; F335-M338 VanDerWaalsContact O-N 3.12Å; F335-K339 HydrophobicContact CD1-CD 4.38Å; F335-K339 HydrophobicContact CE1-CD 4.45Å; F335-K339 WeakPolarHBondContact O-CB 3.4Å; F335-K339 PolarHBondContact O-N 2.91Å
336	D	53.7	Low	57.7	Low	94 Å²	94	88.2 Å²	88.2	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-26.5	175.2	-78.7	-28.2	0	0	0	111.9	A332 K339 S340	A332-D336 WeakPolarHBondContact O-CB 3.41Å; A332-D336 PolarHBondContact O-N 3.06Å; D336-K339 PolarHBondContact O-N 3.33Å; D336-K339 WeakPolarHBondContact OD1-CD 3.44Å; D336-K339 IonicContact OD1-NZ 2.93Å; D336-S340 WeakPolarHBondContact O-CB 3.43Å; D336-S340 PolarHBondContact O-N 2.92Å
337	S	54.7	Low	57	Low	73 Å²	73	92 Å²	92	51%	0.51	51%	0.507	S	S	.	.	H	α-helix	trans	-67	-43.6	167.3	-177.2	0	0	0	0	112.6	A333 D334 F335 S340	A333-S337 WeakPolarHBondContact O-CB 3.45Å; A333-S337 PolarHBondContact O-N 2.92Å; D334-S337 WeakPolarHBondContact O-CB 3.22Å; D334-S337 PolarHBondContact O-N 3.46Å; F335-S337 PolarHBondContact O-N 3.46Å; S337-S340 WeakPolarHBondContact O-CB 3.44Å; S337-S340 PolarHBondContact O-N 3.44Å
338	M	54.3	Low	56	Low	139 Å²	139	95.1 Å²	95.1	69%	0.685	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-42.9	169.5	-73	-159.9	-178.6	0	0	111.8	D334 F335 S340 K341 E342	D334-M338 PolarHBondContact O-N 2.98Å; F335-M338 CarbonylContact O-C 3.58Å; F335-M338 WeakPolarHBondContact O-CB 3.41Å; F335-M338 PolarHBondContact O-N 3.36Å; F335-M338 VanDerWaalsContact O-N 3.12Å; M338-S340 PolarHBondContact O-N 3.21Å; M338-K341 CarbonylContact O-C 3.48Å; M338-K341 WeakPolarHBondContact O-CA 3.4Å; M338-K341 WeakPolarHBondContact O-CB 3.48Å; M338-K341 PolarHBondContact O-N 2.99Å; M338-E342 PolarHBondContact O-N 3.49Å
339	K	51.8	Low	55.5	Low	86 Å²	86	94.5 Å²	94.5	37%	0.374	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-25.4	-179.4	-154.7	178.8	-166.3	174.7	0	112.2	F335 D336 K341 E342 N343	F335-K339 HydrophobicContact CD1-CD 4.38Å; F335-K339 HydrophobicContact CE1-CD 4.45Å; F335-K339 WeakPolarHBondContact O-CB 3.4Å; F335-K339 PolarHBondContact O-N 2.91Å; D336-K339 PolarHBondContact O-N 3.33Å; D336-K339 WeakPolarHBondContact OD1-CD 3.44Å; D336-K339 IonicContact OD1-NZ 2.93Å; K339-K341 VanDerWaalsContact C-N 3.32Å; K339-E342 PolarHBondContact O-N 3.47Å; K339-N343 WeakPolarHBondContact O-CB 3.37Å; K339-N343 PolarHBondContact O-N 3.1Å; K339-N343 PolarHBondContact O-ND2 2.91Å
340	S	53.4	Low	54.5	Low	73 Å²	73	95.8 Å²	95.8	51%	0.51	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-41.2	168.2	-171.7	0	0	0	0	111.5	D336 S337 M338 E344	D336-S340 WeakPolarHBondContact O-CB 3.43Å; D336-S340 PolarHBondContact O-N 2.92Å; S337-S340 WeakPolarHBondContact O-CB 3.44Å; S337-S340 PolarHBondContact O-N 3.44Å; M338-S340 PolarHBondContact O-N 3.21Å; S340-E344 PolarHBondContact O-N 2.75Å
341	K	54.4	Low	53.6	Low	161 Å²	161	100.3 Å²	100.3	70%	0.7	52%	0.519	S	S	*	.	H	α-helix	trans	-76.5	-36.7	173.3	-64.3	178.1	179.3	174.3	0	112.4	M338 K339 N343 E344 V345	M338-K341 CarbonylContact O-C 3.48Å; M338-K341 WeakPolarHBondContact O-CA 3.4Å; M338-K341 WeakPolarHBondContact O-CB 3.48Å; M338-K341 PolarHBondContact O-N 2.99Å; K339-K341 VanDerWaalsContact C-N 3.32Å; K341-N343 VanDerWaalsContact C-N 3.26Å; K341-N343 PolarHBondContact O-N 3.05Å; K341-E344 WeakPolarHBondContact O-CB 3.18Å; K341-E344 PolarHBondContact O-N 3.19Å; K341-V345 PolarHBondContact O-N 3.09Å
342	E	51.9	Low	53.1	Low	104 Å²	104	105.4 Å²	105.4	49%	0.486	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-39.1	171.1	-162.8	-178.9	-169.9	0	0	110.8	M338 K339 E344 V345 M346	M338-E342 PolarHBondContact O-N 3.49Å; K339-E342 PolarHBondContact O-N 3.47Å; E342-E344 PolarHBondContact O-N 2.74Å; E342-V345 CarbonylContact O-C 3.57Å; E342-V345 PolarHBondContact O-N 3.05Å; E342-V345 VanDerWaalsContact O-N 3.14Å; E342-M346 HydrophobicContact CG-CG 4.49Å; E342-M346 WeakPolarHBondContact O-CB 3.37Å; E342-M346 PolarHBondContact O-N 3.27Å
343	N	51.1	Low	52.5	Low	84 Å²	84	110.9 Å²	110.9	45%	0.449	55%	0.548	S	S	.	.	H	α-helix	trans	-70.8	-8.8	174.3	-75.9	-33.9	0	0	0	114	K339 K341 R347	K339-N343 WeakPolarHBondContact O-CB 3.37Å; K339-N343 PolarHBondContact O-N 3.1Å; K339-N343 PolarHBondContact O-ND2 2.91Å; K341-N343 VanDerWaalsContact C-N 3.26Å; K341-N343 PolarHBondContact O-N 3.05Å; N343-R347 WeakPolarHBondContact O-CB 3.45Å; N343-R347 WeakPolarHBondContact O-CG 3.38Å; N343-R347 PolarHBondContact O-N 3.49Å; N343-R347 PolarHBondContact O-NE 3.13Å; N343-R347 PolarHBondContact O-NH2 3.42Å
344	E	54.5	Low	51.8	Low	110 Å²	110	112.3 Å²	112.3	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-77	-50.6	164.5	-151.8	76	-118.4	0	0	109.2	S340 K341 E342 R347 E348	S340-E344 PolarHBondContact O-N 2.75Å; K341-E344 WeakPolarHBondContact O-CB 3.18Å; K341-E344 PolarHBondContact O-N 3.19Å; E342-E344 PolarHBondContact O-N 2.74Å; E344-R347 WeakPolarHBondContact O-CB 3.39Å; E344-R347 PolarHBondContact O-N 2.94Å; E344-R347 IonicContact OE1-CZ 3.08Å; E344-R347 IonicContact OE1-NH1 2.66Å; E344-R347 PolarHBondContact OE1-NH1 3.18Å; E344-R347 IonicContact OE1-NH2 2.62Å; E344-R347 PolarHBondContact OE1-NH2 3.38Å; E344-R347 IonicContact OE2-CZ 3.83Å; E344-R347 IonicContact OE2-NH1 3.94Å; E344-R347 IonicContact OE2-NH2 2.75Å; E344-R347 PolarHBondContact OE2-NH2 3.41Å; E344-E348 PolarHBondContact O-N 3.08Å
345	V	52.3	Low	50.8	Low	81 Å²	81	115 Å²	115	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-39.6	-179.7	-177.3	0	0	0	0	112	K341 E342 R347 E348 I349	K341-V345 PolarHBondContact O-N 3.09Å; E342-V345 CarbonylContact O-C 3.57Å; E342-V345 PolarHBondContact O-N 3.05Å; E342-V345 VanDerWaalsContact O-N 3.14Å; V345-R347 VanDerWaalsContact C-N 3.25Å; V345-R347 PolarHBondContact O-N 2.89Å; V345-E348 PolarHBondContact O-N 3.42Å; V345-I349 HydrophobicContact CG1-CD1 3.9Å; V345-I349 HydrophobicContact CG1-CG1 4.47Å; V345-I349 WeakPolarHBondContact O-CG1 3.43Å; V345-I349 PolarHBondContact O-N 3.42Å
346	M	50.6	Low	50.2	Low	72 Å²	72	115.4 Å²	115.4	36%	0.355	57%	0.572	S	S	.	*	H	α-helix	trans	-68.6	-21.9	172.7	-84.1	-77.4	-83.4	0	0	112.5	E342 E348 L350	E342-M346 HydrophobicContact CG-CG 4.49Å; E342-M346 WeakPolarHBondContact O-CB 3.37Å; E342-M346 PolarHBondContact O-N 3.27Å; M346-E348 VanDerWaalsContact C-N 3.34Å; M346-L350 HydrophobicContact CE-CD1 3.76Å; M346-L350 HydrophobicContact CE-CD2 4.16Å; M346-L350 HydrophobicContact CE-CG 3.92Å; M346-L350 WeakPolarHBondContact O-CB 3.31Å; M346-L350 WeakPolarHBondContact O-CG 3.47Å; M346-L350 PolarHBondContact O-N 2.95Å; M346-L350 HydrophobicContact SD-CG 4.17Å
347	R	55.5	Low	49.4	Very low	142 Å²	142	117.7 Å²	117.7	54%	0.536	58%	0.584	S	S	.	*	H	α-helix	trans	-69	-32.1	167.1	-100.5	178.4	-71.2	144	-2	112.1	N343 E344 V345 K351	N343-R347 WeakPolarHBondContact O-CB 3.45Å; N343-R347 WeakPolarHBondContact O-CG 3.38Å; N343-R347 PolarHBondContact O-N 3.49Å; N343-R347 PolarHBondContact O-NE 3.13Å; N343-R347 PolarHBondContact O-NH2 3.42Å; E344-R347 WeakPolarHBondContact O-CB 3.39Å; E344-R347 PolarHBondContact O-N 2.94Å; E344-R347 IonicContact OE1-CZ 3.08Å; E344-R347 IonicContact OE1-NH1 2.66Å; E344-R347 PolarHBondContact OE1-NH1 3.18Å; E344-R347 IonicContact OE1-NH2 2.62Å; E344-R347 PolarHBondContact OE1-NH2 3.38Å; E344-R347 IonicContact OE2-CZ 3.83Å; E344-R347 IonicContact OE2-NH1 3.94Å; E344-R347 IonicContact OE2-NH2 2.75Å; E344-R347 PolarHBondContact OE2-NH2 3.41Å; V345-R347 VanDerWaalsContact C-N 3.25Å; V345-R347 PolarHBondContact O-N 2.89Å; R347-K351 WeakPolarHBondContact O-CB 3.42Å; R347-K351 PolarHBondContact O-N 3.24Å
348	E	51.2	Low	48.4	Very low	141 Å²	141	121.5 Å²	121.5	66%	0.659	60%	0.598	S	S	*	*	H	α-helix	trans	-76	-44.6	171.3	-63.5	-165.4	117.7	0	0	112	E344 V345 M346 K351	E344-E348 PolarHBondContact O-N 3.08Å; V345-E348 PolarHBondContact O-N 3.42Å; M346-E348 VanDerWaalsContact C-N 3.34Å; E348-K351 PolarHBondContact O-N 3.05Å
349	I	52.1	Low	47.4	Very low	98 Å²	98	123.5 Å²	123.5	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-71.3	-43.3	-176.3	-66.1	175	0	0	0	112.3	V345 K351 F352 K353	V345-I349 HydrophobicContact CG1-CD1 3.9Å; V345-I349 HydrophobicContact CG1-CG1 4.47Å; V345-I349 WeakPolarHBondContact O-CG1 3.43Å; V345-I349 PolarHBondContact O-N 3.42Å; I349-K351 VanDerWaalsContact C-N 3.31Å; I349-K351 PolarHBondContact O-N 3.34Å; I349-F352 PolarHBondContact O-N 3Å; I349-K353 PolarHBondContact O-N 3.09Å
350	L	47.8	Very low	46.4	Very low	88 Å²	88	128.6 Å²	128.6	46%	0.461	63%	0.631	S	S	.	*	H	α-helix	trans	-71.8	-25	176.9	-67.2	178.5	0	0	0	112.7	M346 F352 K353 S354	M346-L350 HydrophobicContact CE-CD1 3.76Å; M346-L350 HydrophobicContact CE-CD2 4.16Å; M346-L350 HydrophobicContact CE-CG 3.92Å; M346-L350 WeakPolarHBondContact O-CB 3.31Å; M346-L350 WeakPolarHBondContact O-CG 3.47Å; M346-L350 PolarHBondContact O-N 2.95Å; M346-L350 HydrophobicContact SD-CG 4.17Å; L350-F352 PolarHBondContact O-N 3.31Å; L350-K353 HydrophobicContact CD2-CB 4.49Å; L350-K353 CarbonylContact O-C 3.51Å; L350-K353 PolarHBondContact O-N 2.96Å; L350-S354 PolarHBondContact O-N 2.84Å; L350-S354 PolarHBondContact O-OG 2.76Å
351	K	48.3	Very low	45.4	Very low	165 Å²	165	134.3 Å²	134.3	72%	0.717	65%	0.649	S	S	*	*	H	α-helix	trans	-65.3	-23.4	172.3	179.2	177.9	179.6	-174.9	0	113.1	R347 E348 I349	R347-K351 WeakPolarHBondContact O-CB 3.42Å; R347-K351 PolarHBondContact O-N 3.24Å; E348-K351 PolarHBondContact O-N 3.05Å; I349-K351 VanDerWaalsContact C-N 3.31Å; I349-K351 PolarHBondContact O-N 3.34Å
352	F	47.7	Very low	44.1	Very low	177 Å²	177	132.1 Å²	132.1	78%	0.776	66%	0.655	S	S	*	*	H	α-helix	trans	-80.8	-35.9	165.2	-83.8	-75.6	0	0	0	112.9	I349 L350 M355	I349-F352 PolarHBondContact O-N 3Å; L350-F352 PolarHBondContact O-N 3.31Å; F352-M355 PolarHBondContact O-N 3.05Å
353	K	43.5	Very low	44.1	Very low	158 Å²	158	132.2 Å²	132.2	69%	0.687	66%	0.664	S	S	*	*	H	α-helix	trans	-80.5	-21.7	-175.1	-154.7	166.7	-176.1	178.5	0	114.2	I349 L350 M355 L356	I349-K353 PolarHBondContact O-N 3.09Å; L350-K353 HydrophobicContact CD2-CB 4.49Å; L350-K353 CarbonylContact O-C 3.51Å; L350-K353 PolarHBondContact O-N 2.96Å; K353-M355 PolarHBondContact O-N 3.25Å; K353-L356 PolarHBondContact O-N 3.35Å
354	S	44.8	Very low	43.1	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	6.7	170.9	67.3	0	0	0	0	114.2	L350	L350-S354 PolarHBondContact O-N 2.84Å; L350-S354 PolarHBondContact O-OG 2.76Å
355	M	36.9	Very low	42	Very low	159 Å²	159	135.7 Å²	135.7	78%	0.783	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-4.4	166.7	-151.2	-175	79.6	0	0	112.5	F352 K353	F352-M355 PolarHBondContact O-N 3.05Å; K353-M355 PolarHBondContact O-N 3.25Å
356	L	43.2	Very low	41.1	Very low	122 Å²	122	143 Å²	143	64%	0.639	71%	0.706	S	S	*	*	S	Bend	trans	-140.9	87.8	-177.4	-76.4	169.6	0	0	0	111.3	K353	K353-L356 PolarHBondContact O-N 3.35Å
357	N	36.8	Very low	40.2	Very low	142 Å²	142	145.3 Å²	145.3	76%	0.759	72%	0.719	S	S	*	*			trans	63	105.5	153	-47.3	-3.6	0	0	0	115.2
358	L	34.8	Very low	39	Very low	154 Å²	154	148 Å²	148	81%	0.806	73%	0.73	S	S	*	*			cis	67.1	137.3	27.1	-124	168.7	0	0	0	113.1
359	E	31.7	Very low	37.9	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	73%	0.733	S	S	*	*			trans	88	136.6	175.7	-69.1	176.3	129.5	0	0	120.6
360	E	31.1	Very low	36.9	Very low	193 Å²	193	150.8 Å²	150.8	90%	0.902	74%	0.743	S	S	*	*			trans	66	111.6	164.7	-59.8	-165.1	125.1	0	0	124
361	E	32.2	Very low	36.1	Very low	193 Å²	193	153.7 Å²	153.7	90%	0.902	75%	0.754	S	S	*	*			trans	-75.1	158.1	168.8	-45.4	166	117.2	0	0	112.4
362	S	28.7	Very low	35.3	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	76%	0.757	S	S	*	*			trans	-175.2	126.7	134.4	-168.9	0	0	0	0	112.5
363	P	50.6	Low	34.4	Very low	105 Å²	105	150.5 Å²	150.5	68%	0.682	76%	0.758	S	S	*	*			trans	-105.8	174.8	177.8	39.9	-34.8	0	0	0	113.7
364	H	30.9	Very low	33.9	Very low	176 Å²	176	148.3 Å²	148.3	82%	0.815	76%	0.76	S	S	*	*			trans	171.4	137.2	143.9	-94.8	65.1	0	0	0	107.2
365	S	30.6	Very low	33.3	Very low	91 Å²	91	151.5 Å²	151.5	64%	0.636	77%	0.768	S	S	*	*			cis	96.2	138.5	26.9	98.6	0	0	0	0	114.5
366	R	34.9	Very low	33	Very low	235 Å²	235	149.8 Å²	149.8	89%	0.887	76%	0.762	S	S	*	*			cis	-161.1	-26.5	-7.2	-136.6	179.7	176	170.6	-0.9	120.8
367	I	30.3	Very low	32.5	Very low	121 Å²	121	153 Å²	153	62%	0.621	77%	0.765	S	S	*	*				-136.7	146	-129.1	-134.1	167.2	0	0	0	121.4
368	Y	30.2	Very low	32.2	Very low	197 Å²	197	152.8 Å²	152.8	77%	0.773	76%	0.76	S	S	*	*			trans	65.8	148.8	159	-59.5	-40.8	0	0	0	123.1
369	N	29.6	Very low	32.5	Very low	133 Å²	133	153.1 Å²	153.1	71%	0.711	76%	0.762	S	S	*	*			cis	119.7	153.2	-2.9	-168.5	25.5	0	0	0	115.8
370	K	29.7	Very low	32.7	Very low	165 Å²	165	150.8 Å²	150.8	72%	0.717	76%	0.759	S	S	*	*			trans	83.3	140.1	175.8	-66.4	-167.9	169.8	-177.9	0	117.9
371	Q	32	Very low	33	Very low	150 Å²	150	148 Å²	148	70%	0.701	75%	0.75	S	S	*	*			cis	107.6	105.5	12.9	178.4	-164.6	36.3	0	0	114.1
372	T	30.5	Very low	33.2	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	74%	0.744	S	S	*	*			trans	-174.9	133.6	138.4	22.3	0	0	0	0	116.2
373	N	28.8	Very low	33.5	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	73%	0.734	S	S	*	*			trans	55.6	131.6	140.8	-62.8	5	0	0	0	125.6
374	P	33.5	Very low	32.7	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	74%	0.74	S	S	*	*			trans	-107	157.9	156.2	39.4	-31	0	0	0	114.1
375	I	32.7	Very low	33.1	Very low	163 Å²	163	146.9 Å²	146.9	84%	0.836	74%	0.736	S	S	*	*			trans	-146.8	119	167.8	-56.3	178.6	0	0	0	106
376	N	30.9	Very low	33.4	Very low	123 Å²	123	151.2 Å²	151.2	66%	0.658	75%	0.746	S	S	*	*			cis	88	116.2	10.2	-148	5.7	0	0	0	116.2
377	R	31	Very low	33.5	Very low	188 Å²	188	150.6 Å²	150.6	71%	0.709	74%	0.744	S	S	*	*			trans	64	179.3	171.9	-38.9	-169.7	-168.2	169	1.1	116.9
378	E	31.2	Very low	33.9	Very low	139 Å²	139	150.1 Å²	150.1	65%	0.65	75%	0.752	S	S	*	*			cis	-128.8	144.8	-20.3	-109	110.1	-179.8	0	0	104.2
379	L	41.1	Very low	34.3	Very low	161 Å²	161	148.5 Å²	148.5	84%	0.843	75%	0.751	S	S	*	*			cis	77.7	64	13.6	-140.8	-175.9	0	0	0	116.7
380	V	36.6	Very low	34.9	Very low	130 Å²	130	147.6 Å²	147.6	79%	0.788	76%	0.755	S	S	*	*			trans	-155.5	131.3	157.8	148.3	0	0	0	0	106.2
381	D	36.8	Very low	35.4	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	75%	0.75	S	S	*	*			cis	100.2	152.6	25.6	-159.8	26	0	0	0	113.9
382	E	37.4	Very low	36.1	Very low	163 Å²	163	146.8 Å²	146.8	76%	0.762	76%	0.755	S	S	*	*			trans	4.5	148.4	-179.8	-72.9	178.6	175	0	0	121.8
383	G	33.4	Very low	36.7	Very low	60 Å²	60	148.4 Å²	148.4	62%	0.619	75%	0.751	S	S	*	*			cis	155.2	-177.9	6.1	0	0	0	0	0	111
384	Y	35.5	Very low	37.3	Very low	204 Å²	204	148.3 Å²	148.3	80%	0.8	75%	0.749	S	S	*	*			trans	63.8	162.6	167.4	-69.5	-98.3	0	0	0	116.9
385	L	38.8	Very low	37.7	Very low	141 Å²	141	150.2 Å²	150.2	74%	0.738	75%	0.748	S	S	*	*			cis	-162.3	178.9	-34.2	-160.7	74.4	0	0	0	108.5
386	Q	36.6	Very low	38	Very low	181 Å²	181	151.4 Å²	151.4	85%	0.846	75%	0.748	S	S	*	*			trans	73.9	142.1	171.2	-56.8	173.2	-34.6	0	0	116.1
387	R	37.6	Very low	38.5	Very low	222 Å²	222	152.3 Å²	152.3	84%	0.838	75%	0.752	S	S	*	*			cis	103.4	92.1	7.8	-166.1	-164.7	-178.7	-136.6	-4.6	116.6
388	S	38.2	Very low	39	Very low	112 Å²	112	153.5 Å²	153.5	78%	0.783	76%	0.757	S	S	*	*			trans	177.8	167.3	154.8	47	0	0	0	0	110.3
389	E	39.3	Very low	39.5	Very low	162 Å²	162	152.6 Å²	152.6	76%	0.757	76%	0.761	S	S	*	*			cis	-165.1	172.5	-46.7	-150.9	157.5	-139.5	0	0	110.2
390	S	41.5	Very low	39.4	Very low	115 Å²	115	155 Å²	155	80%	0.804	76%	0.761	S	S	*	*			trans	74.3	158	161.6	79.1	0	0	0	0	121.7
391	D	40.5	Very low	39.4	Very low	113 Å²	113	159.3 Å²	159.3	60%	0.604	76%	0.763	S	S	*	*			cis	-170.9	173.8	-42.1	-153.9	-18.7	0	0	0	110.5	K393	D391-K393 WeakPolarHBondContact OD1-CE 3.4Å; D391-K393 IonicContact OD1-NZ 3.23Å; D391-K393 PolarHBondContact OD1-NZ 2.87Å; D391-K393 IonicContact OD2-NZ 2.71Å; D391-K393 PolarHBondContact OD2-NZ 3.36Å
392	K	45.7	Very low	39.5	Very low	185 Å²	185	158.9 Å²	158.9	80%	0.804	77%	0.767	S	S	*	*			trans	92.6	128.4	173.2	-53.8	160	-173.4	171.4	0	114.8
393	K	42.9	Very low	39.7	Very low	161 Å²	161	161 Å²	161	70%	0.7	77%	0.773	S	S	*	*			cis	78.4	134.7	31.7	-51.5	155.2	-174.6	154.6	0	111.3	D391	D391-K393 WeakPolarHBondContact OD1-CE 3.4Å; D391-K393 IonicContact OD1-NZ 3.23Å; D391-K393 PolarHBondContact OD1-NZ 2.87Å; D391-K393 IonicContact OD2-NZ 2.71Å; D391-K393 PolarHBondContact OD2-NZ 3.36Å
394	I	42.6	Very low	39.9	Very low	144 Å²	144	162.9 Å²	162.9	74%	0.738	78%	0.778	S	S	*	*			cis	-161.3	175.8	15.8	-145.6	162.2	0	0	0	108.7
395	E	41.4	Very low	40.1	Very low	153 Å²	153	161.2 Å²	161.2	72%	0.715	78%	0.781	S	S	*	*			cis	-147.1	-118.6	7.3	-169.8	60.6	-72.7	0	0	111.7
396	F	39.2	Very low	40.3	Very low	189 Å²	189	159.1 Å²	159.1	83%	0.829	78%	0.778	S	S	*	*			trans	-157.4	140	-165.1	-137.6	-92.6	0	0	0	111.5
397	D	42.3	Very low	40.6	Very low	141 Å²	141	158.9 Å²	158.9	75%	0.754	78%	0.776	S	S	*	*			trans	-166.8	176.8	142.1	-148.1	-7	0	0	0	113.5
398	R	40.4	Very low	41.1	Very low	213 Å²	213	152.8 Å²	152.8	80%	0.804	77%	0.768	S	S	*	*			trans	-87.9	-179.9	-173.6	-57.4	154.8	174.8	176.4	-0.6	110.7
399	T	41.1	Very low	41.3	Very low	121 Å²	121	154.4 Å²	154.4	74%	0.742	77%	0.768	S	S	*	*			cis	-165	146.8	27.1	-28.9	0	0	0	0	112.8
400	Y	39.5	Very low	41.4	Very low	212 Å²	212	152 Å²	152	83%	0.831	77%	0.768	S	S	*	*			trans	44.9	122.5	145.9	-101	-112.1	0	0	0	124.8
401	R	37.6	Very low	41.5	Very low	220 Å²	220	152.2 Å²	152.2	83%	0.83	76%	0.764	S	S	*	*				104.6	114.3	124.5	-143.4	177.9	-157.1	-171.1	5.6	119.5
402	P	39.2	Very low	41.6	Very low	124 Å²	124	153.4 Å²	153.4	81%	0.805	78%	0.775	S	S	*	*			trans	-92.7	172.5	172.5	38.2	-35.4	0	0	0	113.3
403	K	39.9	Very low	41.7	Very low	207 Å²	207	150 Å²	150	90%	0.9	77%	0.772	S	S	*	*			trans	-136	143.6	169.2	-144.3	175.9	-174.3	-177	0	112
404	S	38.4	Very low	41.7	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	78%	0.775	S	S	*	*			trans	-79.2	152	-167.6	52.1	0	0	0	0	116.5
405	I	39.1	Very low	41.8	Very low	168 Å²	168	150 Å²	150	86%	0.862	78%	0.78	S	S	*	*			trans	-144.8	130.3	136.9	-75.2	105.6	0	0	0	109.1
406	S	43.6	Very low	41.5	Very low	97 Å²	97	147.2 Å²	147.2	68%	0.678	78%	0.778	S	S	*	*			trans	-168.3	142.7	141.6	49.5	0	0	0	0	110.1
407	H	43.8	Very low	41.6	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	77%	0.774	S	S	*	*			trans	-113.9	-165.7	-176.2	-110.6	-95	0	0	0	110.7
408	S	48.1	Very low	41.6	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	78%	0.776	S	S	*	*			trans	70.7	92.4	163.4	68.3	0	0	0	0	119.1
409	D	41.3	Very low	41.9	Very low	145 Å²	145	141.3 Å²	141.3	78%	0.775	77%	0.769	S	S	*	*				51.5	125.6	106.6	-42.2	-30.4	0	0	0	120.3
410	C	42.4	Very low	42.1	Very low	113 Å²	113	144.6 Å²	144.6	76%	0.764	77%	0.773	S	S	*	*				151.6	150.1	88.3	-132.7	0	0	0	0	115.2
411	T	43.1	Very low	42.5	Very low	119 Å²	119	139 Å²	139	73%	0.73	76%	0.761	S	S	*	*			trans	59.9	97	154.5	42.1	0	0	0	0	123.1
412	V	43.1	Very low	42.9	Very low	138 Å²	138	135.5 Å²	135.5	84%	0.836	76%	0.756	S	S	*	*				79.8	145.4	111.3	163.8	0	0	0	0	120.5
413	P	46.7	Very low	43.2	Very low	113 Å²	113	137.4 Å²	137.4	73%	0.734	75%	0.754	S	S	*	*			trans	-130.7	-177.1	-154	43	-25.7	0	0	0	116.2
414	S	42.4	Very low	43.6	Very low	108 Å²	108	133 Å²	133	76%	0.755	75%	0.749	S	S	*	*			trans	-159.3	131.7	153.4	-87.9	0	0	0	0	114.4
415	K	45.4	Very low	44	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.857	76%	0.755	S	S	*	*				35.6	143.5	126	-61.7	177.3	-177.4	178.2	0	119.7
416	S	35.8	Very low	44.5	Very low	94 Å²	94	135.3 Å²	135.3	66%	0.657	76%	0.756	S	S	*	*			cis	-179.7	-174.8	-1.9	46	0	0	0	0	110.8
417	I	40.3	Very low	44.6	Very low	145 Å²	145	138.4 Å²	138.4	74%	0.744	76%	0.759	S	S	*	*			trans	85.7	109.5	166.4	-55.1	155.5	0	0	0	113.4
418	H	43.4	Very low	44.9	Very low	173 Å²	173	137.9 Å²	137.9	80%	0.801	76%	0.762	S	S	*	*				77.5	151	66	-90.5	-107.9	0	0	0	114.7
419	P	46.3	Very low	44.7	Very low	102 Å²	102	143 Å²	143	66%	0.662	77%	0.767	S	S	*	*			cis	-146.5	-145.6	-39.7	41.9	-21.2	0	0	0	113
420	F	44	Very low	44.8	Very low	189 Å²	189	143 Å²	143	83%	0.829	77%	0.766	S	S	*	*			trans	88.6	146	153.6	-127.9	-107.5	0	0	0	118.3
421	V	47.9	Very low	44.6	Very low	96 Å²	96	142.8 Å²	142.8	58%	0.582	76%	0.762	S	S	*	*			cis	-170.1	162.7	-44.1	116.1	0	0	0	0	109.4
422	M	46.1	Very low	44.5	Very low	145 Å²	145	142.5 Å²	142.5	71%	0.714	76%	0.764	S	S	*	*			trans	143.5	112.5	160.1	-74.2	-106.1	118.5	0	0	107.4
423	E	46.4	Very low	44.6	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	77%	0.766	S	S	*	*				71.8	140.5	79.7	-70.5	-178.6	179.9	0	0	113.4
424	S	48.9	Very low	44.3	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	77%	0.768	S	S	*	*			cis	-136.2	172.1	17.8	60.6	0	0	0	0	115
425	N	45.4	Very low	44.6	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	77%	0.771	S	S	*	*			trans	-79.9	170.3	-175	-48.5	-40.1	0	0	0	114.6
426	D	49.5	Very low	44.3	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	76%	0.763	S	S	*	*				-146.1	157.6	125.6	-144	-19.4	0	0	0	110.4
427	E	46.6	Very low	44.7	Very low	161 Å²	161	147.4 Å²	147.4	75%	0.752	77%	0.77	S	S	*	*			trans	-97.2	159	-167.8	-62.3	-170	102.2	0	0	113
428	L	50	Low	44.7	Very low	165 Å²	165	147.8 Å²	147.8	86%	0.864	77%	0.769	S	S	*	*				-164.8	159.8	76.3	-94.9	165.6	0	0	0	114.8
429	R	44.2	Very low	44.7	Very low	204 Å²	204	148.1 Å²	148.1	77%	0.77	78%	0.776	S	S	*	*			trans	-82.3	171.8	176.3	-100.3	-178.9	-178.6	-143.6	2.9	111.7
430	D	43.6	Very low	44.5	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	78%	0.779	S	S	*	*				-155.3	173.3	50.3	-123.7	-30	0	0	0	116.9
431	T	37.4	Very low	44.2	Very low	109 Å²	109	149 Å²	149	67%	0.669	78%	0.778	S	S	*	*			trans	-135	133.6	-167.6	50.7	0	0	0	0	114.3
432	S	41.2	Very low	43.8	Very low	112 Å²	112	149.6 Å²	149.6	78%	0.783	79%	0.786	S	S	*	*			trans	-177.1	154.9	151.8	53.5	0	0	0	0	110.2
433	E	45.5	Very low	43.7	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	79%	0.789	S	S	*	*			cis	-151.3	147.7	-27.2	-115.4	177.2	166.7	0	0	105.9
434	N	39.9	Very low	43.4	Very low	145 Å²	145	151 Å²	151	78%	0.775	80%	0.795	S	S	*	*			trans	-110	129.3	-174.4	-162.6	47.8	0	0	0	110.8
435	I	49.5	Very low	43.2	Very low	157 Å²	157	151.7 Å²	151.7	81%	0.805	79%	0.794	S	S	*	*			trans	-113	112.4	177.9	-63.2	177.1	0	0	0	108.4
436	D	38.2	Very low	42.9	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	79%	0.793	S	S	*	*			trans	-71.5	148.9	165.6	-67	-56.4	0	0	0	110.6
437	V	43.7	Very low	42.8	Very low	133 Å²	133	153.9 Å²	153.9	81%	0.806	79%	0.791	S	S	*	*				-179	147.2	118.4	148.8	0	0	0	0	110.8
438	E	40.9	Very low	42.7	Very low	153 Å²	153	151.7 Å²	151.7	72%	0.715	79%	0.785	S	S	*	*			trans	-45.9	150.9	-178.7	-53.4	165.7	101.5	0	0	116.9
439	L	43.7	Very low	42.6	Very low	180 Å²	180	152.5 Å²	152.5	94%	0.942	79%	0.786	S	S	*	*			trans	-143.6	142.1	135.6	-110.7	173.3	0	0	0	109.9
440	Q	42.1	Very low	42.7	Very low	157 Å²	157	151.1 Å²	151.1	73%	0.734	79%	0.786	S	S	*	*			trans	-96.5	148	-165.5	-67.3	176.4	-20.2	0	0	113.7
441	N	38.4	Very low	42.8	Very low	152 Å²	152	153.4 Å²	153.4	81%	0.813	79%	0.789	S	S	*	*			trans	24.2	166.4	139.6	-71.3	-16	0	0	0	123.5
442	C	39.6	Very low	43	Very low	109 Å²	109	158.8 Å²	158.8	74%	0.736	80%	0.804	S	S	*	*			trans	80.3	131.5	173.8	-67.5	0	0	0	0	115.3
443	D	42.4	Very low	42.9	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	80%	0.798	S	S	*	*			cis	-148.4	166.5	-1	-100.2	-32	0	0	0	113.7
444	Q	40.1	Very low	42.8	Very low	191 Å²	191	154 Å²	154	89%	0.893	80%	0.795	S	S	*	*			trans	-76.5	131.7	173.8	-64.2	176.5	-43.1	0	0	111.7
445	V	44.5	Very low	42.7	Very low	131 Å²	131	153.9 Å²	153.9	79%	0.794	79%	0.794	S	S	*	*			trans	-131.7	133.4	157.2	-172.9	0	0	0	0	109.9
446	N	39.9	Very low	42.3	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	79%	0.794	S	S	*	*			trans	-88.8	140.3	-171.9	-173.8	13.9	0	0	0	111.8
447	Y	48.6	Very low	42.6	Very low	217 Å²	217	150.4 Å²	150.4	85%	0.851	79%	0.794	S	S	*	*			trans	-125.3	100.3	173.9	-100.6	-78.1	0	0	0	111.7	M449	Y447-M449 PolarHBondContact O-N 3.16Å
448	D	44.2	Very low	42.6	Very low	116 Å²	116	152.7 Å²	152.7	62%	0.62	79%	0.793	S	S	*	*			trans	-81.1	99.2	178.4	-179.2	28.5	0	0	0	111.2	K450	D448-K450 PolarHBondContact O-N 2.93Å; D448-K450 WeakPolarHBondContact OD2-CE 3.5Å; D448-K450 IonicContact OD2-NZ 2.75Å; D448-K450 PolarHBondContact OD2-NZ 2.84Å
449	M	46.4	Very low	42.6	Very low	181 Å²	181	152 Å²	152	89%	0.892	79%	0.794	S	S	*	*			trans	-94.2	89.2	-174.3	-156.7	173.6	82.4	0	0	112.4	Y447	Y447-M449 PolarHBondContact O-N 3.16Å
450	K	47.8	Very low	42.4	Very low	175 Å²	175	147.4 Å²	147.4	76%	0.761	78%	0.782	S	S	*	*			trans	-71.4	142.5	-179.3	-83	173.6	179.3	151.5	0	114.1	D448	D448-K450 PolarHBondContact O-N 2.93Å; D448-K450 WeakPolarHBondContact OD2-CE 3.5Å; D448-K450 IonicContact OD2-NZ 2.75Å; D448-K450 PolarHBondContact OD2-NZ 2.84Å
451	K	44.1	Very low	42.2	Very low	192 Å²	192	147.7 Å²	147.7	84%	0.835	79%	0.787	S	S	*	*			trans	-77.4	135.3	-170.2	-58.8	170.7	-179.6	173.7	0	113.7
452	F	42.8	Very low	42.5	Very low	223 Å²	223	147.8 Å²	147.8	98%	0.978	79%	0.786	S	S	*	*			trans	-145.7	135	135.3	-78.3	-82.3	0	0	0	108
453	G	38	Very low	42.3	Very low	65 Å²	65	150.7 Å²	150.7	67%	0.67	79%	0.794	S	S	*	*			cis	132.2	59.2	-12.3	0	0	0	0	0	115.9
454	V	43.3	Very low	42.2	Very low	133 Å²	133	149 Å²	149	81%	0.806	79%	0.789	S	S	*	*			trans	-142.7	110.6	162.1	-179.4	0	0	0	0	111.4
455	N	39.5	Very low	42	Very low	144 Å²	144	149 Å²	149	77%	0.77	79%	0.789	S	S	*	*			trans	21.2	119.1	138.3	-50.7	-17.9	0	0	0	118.2
456	S	40.5	Very low	41.8	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	79%	0.79	S	S	*	*				68.3	125.1	78.6	-162.5	0	0	0	0	112.7
457	S	44.1	Very low	41.5	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	78%	0.784	S	S	*	*				-165.3	167.2	52.3	54	0	0	0	0	115.2
458	K	43	Very low	40.6	Very low	182 Å²	182	140 Å²	140	79%	0.791	79%	0.785	S	S	*	*			trans	18.5	143.9	144.8	-65.5	-172.2	176.5	178.9	0	119.6
459	N	41.7	Very low	40.2	Very low	138 Å²	138	139.9 Å²	139.9	74%	0.738	79%	0.793	S	S	*	*			cis	-166.8	167.6	13.1	-118.4	7.3	0	0	0	110.8
460	A	39	Very low	39.8	Very low	83 Å²	83	139.5 Å²	139.5	69%	0.686	79%	0.793	S	S	*	*			trans	48.2	117.8	156.5	0	0	0	0	0	118.8
461	I	38	Very low	39.3	Very low	163 Å²	163	136.9 Å²	136.9	84%	0.836	79%	0.793	S	S	*	*				54.6	105.5	61.5	-51.9	176.1	0	0	0	113.4
462	I	45.5	Very low	38.8	Very low	154 Å²	154	130.9 Å²	130.9	79%	0.79	79%	0.787	S	S	*	*			trans	-166.4	128.6	131.6	-96.6	151.3	0	0	0	107.3
463	D	35.3	Very low	38.5	Very low	171 Å²	171	126 Å²	126	91%	0.914	78%	0.78	S	S	*	*			trans	-85	133.1	166.9	-87.6	-58.6	0	0	0	109.6
464	T	40.3	Very low	38.6	Very low	110 Å²	110	128.8 Å²	128.8	68%	0.675	79%	0.786	S	S	*	*			trans	-139.9	114	166.8	-47	0	0	0	0	110.5	I466	T464-I466 HydrophobicContact CG2-CD1 4.21Å
465	Q	35.8	Very low	38.1	Very low	191 Å²	191	126.3 Å²	126.3	89%	0.893	79%	0.788	S	S	*	*			trans	-77.8	127.1	168.2	-64.5	178	-1.8	0	0	110.4
466	I	40	Very low	37.7	Very low	158 Å²	158	125 Å²	125	81%	0.81	79%	0.79	S	S	*	*			trans	-161.7	139.9	159.7	-91.9	134.3	0	0	0	103.8	T464	T464-I466 HydrophobicContact CG2-CD1 4.21Å
467	G	33	Very low	37.3	Very low	63 Å²	63	124.4 Å²	124.4	65%	0.649	79%	0.786	S	S	*	*			cis	120.6	100.6	23.8	0	0	0	0	0	106
468	G	30.3	Very low	36.5	Very low	84 Å²	84	128 Å²	128	87%	0.866	79%	0.793	S	S	*	*			trans	-69.9	153.8	-149.3	0	0	0	0	0	117.1
469	S	35.2	Very low	36	Very low	114 Å²	114	123.8 Å²	123.8	80%	0.797	79%	0.787	S	S	*	*			trans	-159.2	152.4	153.9	46.2	0	0	0	0	110.4
470	I	38.8	Very low	35.6	Very low	173 Å²	173	123.2 Å²	123.2	89%	0.887	78%	0.783	S	S	*	*			trans	-99.7	127.3	179.1	-59.7	168.6	0	0	0	109.2
471	P	37.8	Very low	35.7	Very low	119 Å²	119	121.7 Å²	121.7	77%	0.773	77%	0.768	S	S	*	*			trans	-118.5	146.7	149.5	35.5	-26.4	0	0	0	111
472	G	33.6	Very low	36.2	Very low	67 Å²	67	115.5 Å²	115.5	69%	0.691	74%	0.743	S	S	*	*			trans	-112.8	-168	178	0	0	0	0	0	113.6
473	S	36.8	Very low	37	Very low	121 Å²	121	110.5 Å²	110.5	85%	0.846	72%	0.723	S	S	*	*			trans	76.5	161.1	176.8	-127.3	0	0	0	0	114.9
474	P	38.6	Very low	38.8	Very low	123 Å²	123	105.8 Å²	105.8	80%	0.799	70%	0.697	S	S	*	*				-132.5	163.5	-85.4	38.1	-23.3	0	0	0	114.8
475	G	33.5	Very low	40.6	Very low	81 Å²	81	102.4 Å²	102.4	84%	0.835	68%	0.68	S	S	*	*			trans	114.6	86.7	160.9	0	0	0	0	0	115.3
476	S	31.6	Very low	42.3	Very low	116 Å²	116	98.3 Å²	98.3	81%	0.811	66%	0.664	S	S	*	*			trans	-149.4	117.7	159.3	-170	0	0	0	0	112.3
477	S	31.7	Very low	44.3	Very low	101 Å²	101	93 Å²	93	71%	0.706	65%	0.648	S	S	*	*			trans	26.5	93.5	149.9	-161.1	0	0	0	0	118.4	S479	S477-S479 PolarHBondContact O-N 3.23Å
478	M	27.8	Very low	46.9	Very low	175 Å²	175	97.2 Å²	97.2	86%	0.862	65%	0.645	S	S	*	*			trans	-59.9	117.9	168.4	-69	178.6	72	0	0	111.2
479	S	31.5	Very low	49.9	Very low	94 Å²	94	93.5 Å²	93.5	66%	0.657	61%	0.606	S	S	*	*			trans	-146.2	109.5	169.2	49.2	0	0	0	0	113.8	S477	S477-S479 PolarHBondContact O-N 3.23Å
480	L	32.6	Very low	52.6	Low	127 Å²	127	90.8 Å²	90.8	67%	0.665	58%	0.58	S	S	*	*	S	Bend	trans	61.4	121.1	154.8	-54.3	171.2	0	0	0	117.9	G482	L480-G482 PolarHBondContact O-N 3.18Å
481	S	41.4	Very low	55.3	Low	51 Å²	51	82.6 Å²	82.6	36%	0.357	54%	0.538	S	S	.	.			trans	-30.7	100.7	-179.3	-68.9	0	0	0	0	115.8	S483 S608 C611	S481-S483 PolarHBondContact O-N 3.11Å; S481-S608 WeakPolarHBondContact OG-CB 3.37Å; S481-S608 PolarHBondContact OG-N 3.17Å; S481-C611 PolarHBondContact OG-SG 3.34Å
482	G	48.1	Very low	57.8	Low	32 Å²	32	79.5 Å²	79.5	33%	0.33	52%	0.519	S	S	.	.			trans	-84.6	104.5	163.3	0	0	0	0	0	110.4	L480	L480-G482 PolarHBondContact O-N 3.18Å
483	S	63.4	Low	60.6	Low	50 Å²	50	77.7 Å²	77.7	35%	0.35	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	111.7	149	172.3	0	0	0	0	106.6	S481 I491	S481-S483 PolarHBondContact O-N 3.11Å; S483-I491 PolarHBondContact OG-O 2.91Å; S483-I491 VanDerWaalsContact OG-O 3.05Å
484	N	72.9	Confident	63.3	Low	72 Å²	72	72.2 Å²	72.2	39%	0.385	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.3	-179.1	-72.4	-17.1	0	0	0	109.6	A603 W604	N484-A603 CarbonylContact O-C 3.59Å; N484-A603 VanDerWaalsContact O-CA 3.29Å; N484-A603 WeakPolarHBondContact O-CA 3.27Å; N484-W604 HydrophobicContact CB-CD2 3.76Å; N484-W604 VanDerWaalsContact CB-CE2 3.48Å; N484-W604 HydrophobicContact CB-CE3 4Å; N484-W604 HydrophobicContact CB-CG 4.46Å; N484-W604 HydrophobicContact CB-CH2 3.79Å; N484-W604 HydrophobicContact CB-CZ2 3.52Å; N484-W604 HydrophobicContact CB-CZ3 4.02Å; N484-W604 PolarHBondContact N-O 3.23Å; N484-W604 WeakPolarHBondContact ND2-CZ2 3.32Å; N484-W604 PolarHBondContact O-N 2.73Å
485	A	79	Confident	65.9	Low	38 Å²	38	66.8 Å²	66.8	31%	0.314	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.9	180	0	0	0	0	0	110.9	L489 Q490 L602	A485-L489 WeakPolarHBondContact CB-O 3.48Å; A485-Q490 HydrophobicContact CB-CG 3.88Å; A485-L602 CarbonylContact C-O 3.54Å; A485-L602 WeakPolarHBondContact CA-O 3.39Å
486	I	71.7	Confident	68.6	Low	106 Å²	106	65.6 Å²	65.6	54%	0.544	40%	0.395	S	S	.	.	S	Bend	trans	-97.2	78.2	167.4	-60.1	173.8	0	0	0	106	L602 W604	I486-L602 CarbonylContact C-O 3.6Å; I486-L602 PolarHBondContact N-O 2.85Å; I486-W604 HydrophobicContact CD1-CH2 4.19Å; I486-W604 HydrophobicContact CD1-CZ3 3.76Å; I486-W604 HydrophobicContact CG1-CH2 4.47Å; I486-W604 HydrophobicContact CG1-CZ3 3.96Å
487	G	81.4	Confident	71.5	Confident	47 Å²	47	65.1 Å²	65.1	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	122.1	-155	-178.4	0	0	0	0	0	113.5
488	Y	88.3	Confident	74.5	Confident	150 Å²	150	60.3 Å²	60.3	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	-90	-23.5	-167.3	-55.3	-69.8	0	0	0	115	S506 T507	Y488-S506 WeakPolarHBondContact O-CB 3.46Å; Y488-S506 PolarHBondContact O-N 3.39Å; Y488-S506 PolarHBondContact O-OG 3.08Å; Y488-T507 VanDerWaalsContact CB-OG1 3.3Å; Y488-T507 WeakPolarHBondContact CB-OG1 3.17Å
489	L	91.5	Very high	77.7	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.1	174.6	-70.5	174.3	0	0	0	110	A485 W504 I523 I525 M550 V594	A485-L489 WeakPolarHBondContact CB-O 3.48Å; L489-W504 WeakPolarHBondContact CA-O 3.25Å; L489-I523 HydrophobicContact CD1-CG2 4.09Å; L489-I523 HydrophobicContact CD2-CD1 3.9Å; L489-I523 HydrophobicContact CD2-CG2 4.33Å; L489-I523 HydrophobicContact CG-CD1 3.9Å; L489-I523 HydrophobicContact CG-CG2 4.25Å; L489-I525 HydrophobicContact CD2-CD1 4.35Å; L489-M550 HydrophobicContact CD2-SD 3.59Å; L489-M550 VanDerWaalsContact CD2-SD 3.59Å; L489-V594 HydrophobicContact CD1-CG1 4.2Å
490	Q	92.9	Very high	80.8	Confident	57 Å²	57	52.3 Å²	52.3	27%	0.266	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	175	-53.2	-165.3	-4.6	0	0	110.3	A485 L503 W504 S506	A485-Q490 HydrophobicContact CB-CG 3.88Å; Q490-L503 CarbonylContact O-C 3.54Å; Q490-L503 WeakPolarHBondContact O-CA 3.35Å; Q490-W504 HydrophobicContact CB-CE3 4.3Å; Q490-W504 HydrophobicContact CG-CE3 4.22Å; Q490-W504 PolarHBondContact N-O 2.68Å; Q490-W504 PolarHBondContact O-N 2.99Å; Q490-S506 PolarHBondContact NE2-OG 2.86Å
491	I	94.5	Very high	83.8	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.3	167.4	-56.8	170.2	0	0	0	107.1	S483 L501 L503 T592 V594 A603 L605	S483-I491 PolarHBondContact OG-O 2.91Å; S483-I491 VanDerWaalsContact OG-O 3.05Å; I491-L501 HydrophobicContact CG2-CD1 3.54Å; I491-L503 HydrophobicContact CB-CD2 4.34Å; I491-L503 HydrophobicContact CG1-CD2 3.69Å; I491-T592 HydrophobicContact CD1-CG2 4.11Å; I491-T592 VanDerWaalsContact CD1-O 3.27Å; I491-T592 WeakPolarHBondContact CD1-O 3.29Å; I491-V594 HydrophobicContact CD1-CG2 4.17Å; I491-V594 HydrophobicContact CG1-CG2 4Å; I491-A603 HydrophobicContact CD1-CB 4.45Å; I491-A603 HydrophobicContact CG1-CB 4.12Å; I491-L605 HydrophobicContact CB-CB 3.95Å; I491-L605 HydrophobicContact CD1-CB 4.16Å; I491-L605 HydrophobicContact CG2-CB 3.82Å; I491-L605 HydrophobicContact CG2-CD2 3.7Å; I491-L605 HydrophobicContact CG2-CG 4.42Å
492	C	91.2	Very high	86.4	Confident	54 Å²	54	44.9 Å²	44.9	37%	0.365	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-35.8	-177.7	-71.6	0	0	0	0	113	L502 W504	C492-L502 HydrophobicContact CB-CB 4.18Å; C492-L502 PolarHBondContact N-O 2.94Å; C492-W504 WeakPolarHBondContact SG-CB 3.4Å
493	E	92	Very high	88.6	Confident	29 Å²	29	43.4 Å²	43.4	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	148.8	-172.3	-172	157.7	83.2	0	0	112.6	Y500 L501 L502 R618	E493-Y500 PolarHBondContact OE1-OH 3.21Å; E493-L501 WeakPolarHBondContact O-CA 3.35Å; E493-L502 HydrophobicContact CB-CB 4.2Å; E493-L502 HydrophobicContact CB-CD1 4.06Å; E493-L502 HydrophobicContact CB-CG 4.21Å; E493-L502 PolarHBondContact O-N 3.42Å; E493-R618 IonicContact OE1-CZ 2.67Å; E493-R618 IonicContact OE1-NH1 3.14Å; E493-R618 PolarHBondContact OE1-NH1 2.77Å; E493-R618 IonicContact OE1-NH2 3.99Å; E493-R618 IonicContact OE2-CZ 3.81Å; E493-R618 IonicContact OE2-NH1 2.62Å; E493-R618 PolarHBondContact OE2-NH1 3.29Å; E493-R618 IonicContact OE2-NH2 2.71Å; E493-R618 PolarHBondContact OE2-NH2 3.39Å
494	I	93.8	Very high	90.1	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.9	156.3	-64.5	163.7	0	0	0	106	L501 W584 N586 T592 L605 P607	I494-L501 HydrophobicContact CD1-CD1 4.21Å; I494-L501 HydrophobicContact CG1-CD1 3.44Å; I494-L501 VanDerWaalsContact CG1-CD1 3.44Å; I494-W584 HydrophobicContact CG2-CB 3.79Å; I494-N586 HydrophobicContact CG2-CB 4.15Å; I494-N586 PolarHBondContact O-ND2 2.82Å; I494-T592 WeakPolarHBondContact CD1-OG1 3.19Å; I494-L605 HydrophobicContact CD1-CD2 4.18Å; I494-L605 HydrophobicContact CG1-CD2 4.21Å; I494-P607 HydrophobicContact CD1-CG 3.83Å
495	D	93.1	Very high	91	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.053	22%	0.217	C	C	.	.			trans	-54.4	136	176.9	174.9	68.4	0	0	0	111.3	N497 G498 E499 Y500	D495-N497 PolarHBondContact O-N 2.88Å; D495-N497 VanDerWaalsContact OD2-C 3.26Å; D495-N497 WeakPolarHBondContact OD2-CA 3.5Å; D495-N497 WeakPolarHBondContact OD2-CB 3.49Å; D495-N497 PolarHBondContact OD2-N 3.43Å; D495-G498 WeakPolarHBondContact O-CA 3.45Å; D495-G498 PolarHBondContact O-N 3.39Å; D495-G498 PolarHBondContact OD2-N 2.99Å; D495-E499 PolarHBondContact OD2-N 3.1Å; D495-Y500 HydrophobicContact CB-CD1 3.71Å; D495-Y500 HydrophobicContact CB-CD2 4.2Å; D495-Y500 HydrophobicContact CB-CE1 3.53Å; D495-Y500 HydrophobicContact CB-CE2 4.06Å; D495-Y500 HydrophobicContact CB-CG 4.01Å; D495-Y500 WeakPolarHBondContact CB-O 3.41Å; D495-Y500 PolarHBondContact N-O 3.45Å; D495-Y500 WeakPolarHBondContact OD1-CE1 3.49Å; D495-Y500 PolarHBondContact OD1-OH 2.95Å
496	P	90.8	Very high	91.5	Very high	55 Å²	55	39.9 Å²	39.9	36%	0.357	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.9	178.4	-27.1	36.3	0	0	0	114.4	G498 F612	P496-G498 VanDerWaalsContact C-N 3.3Å; P496-F612 HydrophobicContact CB-CE1 3.96Å; P496-F612 HydrophobicContact CG-CD1 4.17Å; P496-F612 HydrophobicContact CG-CE1 3.67Å
497	N	93.1	Very high	92.2	Very high	106 Å²	106	35.5 Å²	35.5	57%	0.567	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.7	174.4	-45.5	-64.9	0	0	0	112.1	D495 E499 K583	D495-N497 PolarHBondContact O-N 2.88Å; D495-N497 VanDerWaalsContact OD2-C 3.26Å; D495-N497 WeakPolarHBondContact OD2-CA 3.5Å; D495-N497 WeakPolarHBondContact OD2-CB 3.49Å; D495-N497 PolarHBondContact OD2-N 3.43Å; N497-E499 HydrophobicContact CB-CG 4.26Å; N497-K583 WeakPolarHBondContact O-CE 3.16Å; N497-K583 PolarHBondContact O-NZ 3.38Å
498	G	93.7	Very high	92.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	76.4	20.1	-179.6	0	0	0	0	0	114.6	D495 P496 S560 W584	D495-G498 WeakPolarHBondContact O-CA 3.45Å; D495-G498 PolarHBondContact O-N 3.39Å; D495-G498 PolarHBondContact OD2-N 2.99Å; P496-G498 VanDerWaalsContact C-N 3.3Å; G498-S560 PolarHBondContact O-OG 2.76Å; G498-W584 WeakPolarHBondContact CA-O 3.44Å; G498-W584 PolarHBondContact O-N 2.78Å
499	E	95.6	Very high	91	Very high	60 Å²	60	30.9 Å²	30.9	28%	0.28	17%	0.165	S	C	.	.	S	Bend	trans	-71.7	-35.1	-179.9	-70.4	-163.5	125.8	0	0	112.6	D495 N497 W559 S560 A563 I564	D495-E499 PolarHBondContact OD2-N 3.1Å; N497-E499 HydrophobicContact CB-CG 4.26Å; E499-W559 HydrophobicContact CB-CE3 4.34Å; E499-W559 HydrophobicContact CB-CZ3 4.22Å; E499-W559 CarbonylContact O-C 3.56Å; E499-W559 WeakPolarHBondContact O-CA 3.48Å; E499-S560 PolarHBondContact O-N 3.14Å; E499-S560 PolarHBondContact O-OG 3.33Å; E499-A563 HydrophobicContact CB-CB 3.75Å; E499-A563 HydrophobicContact CG-CB 4.06Å; E499-A563 WeakPolarHBondContact O-CB 3.48Å; E499-I564 PolarHBondContact OE1-N 2.85Å
500	Y	95.6	Very high	89.6	Confident	41 Å²	41	36.5 Å²	36.5	16%	0.161	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	163	-179.6	61.1	-87.3	0	0	0	113.9	E493 D495 L502 T557 L558 W559	E493-Y500 PolarHBondContact OE1-OH 3.21Å; D495-Y500 HydrophobicContact CB-CD1 3.71Å; D495-Y500 HydrophobicContact CB-CD2 4.2Å; D495-Y500 HydrophobicContact CB-CE1 3.53Å; D495-Y500 HydrophobicContact CB-CE2 4.06Å; D495-Y500 HydrophobicContact CB-CG 4.01Å; D495-Y500 WeakPolarHBondContact CB-O 3.41Å; D495-Y500 PolarHBondContact N-O 3.45Å; D495-Y500 WeakPolarHBondContact OD1-CE1 3.49Å; D495-Y500 PolarHBondContact OD1-OH 2.95Å; Y500-L502 HydrophobicContact CD2-CD2 3.86Å; Y500-L502 HydrophobicContact CD2-CG 3.9Å; Y500-L502 HydrophobicContact CE2-CD1 4.21Å; Y500-L502 HydrophobicContact CE2-CD2 4.19Å; Y500-L502 HydrophobicContact CE2-CG 3.96Å; Y500-T557 HydrophobicContact CD2-CG2 4.36Å; Y500-T557 HydrophobicContact CG-CG2 4.26Å; Y500-L558 CarbonylContact C-O 3.57Å; Y500-L558 VanDerWaalsContact CA-O 3.3Å; Y500-L558 WeakPolarHBondContact CA-O 3.43Å; Y500-W559 HydrophobicContact CD1-CE3 4.14Å; Y500-W559 HydrophobicContact CD1-CH2 4.02Å; Y500-W559 AromaticContact CD1-CZ3 3.68Å; Y500-W559 HydrophobicContact CD1-CZ3 3.68Å; Y500-W559 HydrophobicContact CG-CE3 4.45Å; Y500-W559 HydrophobicContact CG-CZ3 4.35Å
501	L	95.5	Very high	88	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.4	169.1	170.3	90.2	0	0	0	108.2	I491 E493 I494 L503 V530 L558 W584 T592	I491-L501 HydrophobicContact CG2-CD1 3.54Å; E493-L501 WeakPolarHBondContact O-CA 3.35Å; I494-L501 HydrophobicContact CD1-CD1 4.21Å; I494-L501 HydrophobicContact CG1-CD1 3.44Å; I494-L501 VanDerWaalsContact CG1-CD1 3.44Å; L501-L503 HydrophobicContact CD2-CD2 4.18Å; L501-L503 HydrophobicContact CD2-CG 4.43Å; L501-V530 HydrophobicContact CD2-CG1 3.59Å; L501-V530 HydrophobicContact CD2-CG2 4.5Å; L501-L558 HydrophobicContact CB-CB 4.25Å; L501-L558 HydrophobicContact CD2-CB 4.35Å; L501-L558 HydrophobicContact CD2-CD1 4.44Å; L501-L558 HydrophobicContact CD2-CD2 4.16Å; L501-L558 PolarHBondContact N-O 3.35Å; L501-L558 PolarHBondContact O-N 2.86Å; L501-W584 HydrophobicContact CB-CD2 4.02Å; L501-W584 HydrophobicContact CB-CG 4.16Å; L501-W584 HydrophobicContact CB-CZ2 4.28Å; L501-W584 HydrophobicContact CD2-CH2 4.06Å; L501-W584 HydrophobicContact CD2-CZ2 3.99Å; L501-W584 HydrophobicContact CD2-CZ3 4.4Å; L501-T592 HydrophobicContact CD1-CG2 3.98Å; L501-T592 HydrophobicContact CD2-CG2 4.47Å
502	L	95.8	Very high	86	Confident	22 Å²	22	42.4 Å²	42.4	12%	0.115	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.8	174.2	-60.6	-177.4	0	0	0	111.2	C492 E493 Y500 V555 F556 T557	C492-L502 HydrophobicContact CB-CB 4.18Å; C492-L502 PolarHBondContact N-O 2.94Å; E493-L502 HydrophobicContact CB-CB 4.2Å; E493-L502 HydrophobicContact CB-CD1 4.06Å; E493-L502 HydrophobicContact CB-CG 4.21Å; E493-L502 PolarHBondContact O-N 3.42Å; Y500-L502 HydrophobicContact CD2-CD2 3.86Å; Y500-L502 HydrophobicContact CD2-CG 3.9Å; Y500-L502 HydrophobicContact CE2-CD1 4.21Å; Y500-L502 HydrophobicContact CE2-CD2 4.19Å; Y500-L502 HydrophobicContact CE2-CG 3.96Å; L502-V555 HydrophobicContact CB-CG1 4.34Å; L502-V555 HydrophobicContact CD2-CG1 4.16Å; L502-F556 WeakPolarHBondContact CA-O 3.46Å; L502-T557 HydrophobicContact CD2-CG2 3.87Å; L502-T557 WeakPolarHBondContact CD2-OG1 3.33Å
503	L	95.1	Very high	84.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.5	165.4	-61	-174.6	0	0	0	110.2	Q490 I491 L501 I525 V530 F544 M550 V555 F556 L558 V594	Q490-L503 CarbonylContact O-C 3.54Å; Q490-L503 WeakPolarHBondContact O-CA 3.35Å; I491-L503 HydrophobicContact CB-CD2 4.34Å; I491-L503 HydrophobicContact CG1-CD2 3.69Å; L501-L503 HydrophobicContact CD2-CD2 4.18Å; L501-L503 HydrophobicContact CD2-CG 4.43Å; L503-I525 HydrophobicContact CD1-CD1 3.98Å; L503-V530 HydrophobicContact CD1-CG2 4.03Å; L503-F544 HydrophobicContact CD1-CE2 4.23Å; L503-F544 HydrophobicContact CD1-CZ 3.74Å; L503-M550 HydrophobicContact CB-CE 4.36Å; L503-M550 WeakPolarHBondContact O-CE 3.39Å; L503-V555 CarbonylContact O-C 3.6Å; L503-V555 VanDerWaalsContact O-CA 3.3Å; L503-V555 WeakPolarHBondContact O-CA 3.48Å; L503-V555 WeakPolarHBondContact O-CG1 3.36Å; L503-F556 HydrophobicContact CB-CB 4.37Å; L503-F556 PolarHBondContact N-O 3.5Å; L503-F556 PolarHBondContact O-N 2.94Å; L503-L558 HydrophobicContact CD1-CD1 3.96Å; L503-L558 HydrophobicContact CG-CD1 3.95Å; L503-V594 HydrophobicContact CD1-CG2 4.37Å; L503-V594 HydrophobicContact CD2-CG2 3.79Å
504	W	94.5	Very high	82.6	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.3	177.7	177.9	54.7	0	0	0	111.4	L489 Q490 C492 S506 R553 T554 V555	L489-W504 WeakPolarHBondContact CA-O 3.25Å; Q490-W504 HydrophobicContact CB-CE3 4.3Å; Q490-W504 HydrophobicContact CG-CE3 4.22Å; Q490-W504 PolarHBondContact N-O 2.68Å; Q490-W504 PolarHBondContact O-N 2.99Å; C492-W504 WeakPolarHBondContact SG-CB 3.4Å; W504-S506 PolarHBondContact O-N 3.3Å; W504-R553 PolarHBondContact NE1-O 3.4Å; W504-T554 VanDerWaalsContact CD1-O 3.23Å; W504-V555 HydrophobicContact CB-CG2 4.38Å; W504-V555 HydrophobicContact CG-CG2 4.32Å
505	N	92.4	Very high	80.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	96.3	169.8	-177	-6.3	0	0	0	109.1	T507 I523 M550 S551 R553 T554	N505-T507 PolarHBondContact O-N 2.89Å; N505-T507 VanDerWaalsContact O-N 3.16Å; N505-T507 WeakPolarHBondContact OD1-CB 3.42Å; N505-T507 PolarHBondContact OD1-N 3.22Å; N505-T507 PolarHBondContact OD1-OG1 2.93Å; N505-I523 HydrophobicContact CB-CD1 4.41Å; N505-I523 WeakPolarHBondContact ND2-CD1 3.33Å; N505-I523 WeakPolarHBondContact OD1-CD1 3.42Å; N505-M550 HydrophobicContact CB-CE 4.06Å; N505-M550 HydrophobicContact CB-CG 3.92Å; N505-M550 HydrophobicContact CB-SD 3.95Å; N505-M550 PolarHBondContact ND2-O 3.06Å; N505-S551 PolarHBondContact ND2-O 3.46Å; N505-R553 WeakPolarHBondContact O-CA 3.38Å; N505-R553 PolarHBondContact O-N 2.89Å; N505-T554 PolarHBondContact N-O 2.83Å
506	S	89.6	Confident	78.8	Confident	22 Å²	22	71.8 Å²	71.8	15%	0.154	35%	0.346	C	S	.	.			trans	-69.8	-4.8	-179.5	67.3	0	0	0	0	114.8	Y488 Q490 W504 N508	Y488-S506 WeakPolarHBondContact O-CB 3.46Å; Y488-S506 PolarHBondContact O-N 3.39Å; Y488-S506 PolarHBondContact O-OG 3.08Å; Q490-S506 PolarHBondContact NE2-OG 2.86Å; W504-S506 PolarHBondContact O-N 3.3Å; S506-N508 PolarHBondContact O-N 2.61Å
507	T	86.8	Confident	77.1	Confident	14 Å²	14	73 Å²	73	9%	0.086	37%	0.369	C	S	.	.			trans	-49	122.9	176.6	-58.2	0	0	0	0	110.6	Y488 N505 S509 P552 R553	Y488-T507 VanDerWaalsContact CB-OG1 3.3Å; Y488-T507 WeakPolarHBondContact CB-OG1 3.17Å; N505-T507 PolarHBondContact O-N 2.89Å; N505-T507 VanDerWaalsContact O-N 3.16Å; N505-T507 WeakPolarHBondContact OD1-CB 3.42Å; N505-T507 PolarHBondContact OD1-N 3.22Å; N505-T507 PolarHBondContact OD1-OG1 2.93Å; T507-S509 PolarHBondContact O-N 2.98Å; T507-P552 HydrophobicContact CG2-CB 4.17Å; T507-P552 HydrophobicContact CG2-CG 4.25Å; T507-P552 WeakPolarHBondContact O-CB 3.47Å; T507-R553 WeakPolarHBondContact O-CD 3.25Å
508	N	78.3	Confident	75.2	Confident	51 Å²	51	73.7 Å²	73.7	27%	0.273	37%	0.371	S	S	.	.			trans	-91.4	107.5	-178.2	-167.3	20.3	0	0	0	110.9	S506 L510 I511 R553	S506-N508 PolarHBondContact O-N 2.61Å; N508-L510 PolarHBondContact O-N 3.48Å; N508-I511 HydrophobicContact CB-CD1 3.91Å; N508-I511 HydrophobicContact CB-CG1 4.07Å; N508-I511 PolarHBondContact O-N 3.28Å; N508-R553 PolarHBondContact OD1-NE 3.16Å; N508-R553 PolarHBondContact OD1-NH2 2.84Å
509	S	65.9	Low	73.6	Confident	48 Å²	48	83.6 Å²	83.6	34%	0.336	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-30.2	-179.8	-174.9	0	0	0	0	114.8	T507	T507-S509 PolarHBondContact O-N 2.98Å
510	L	61.2	Low	71.9	Confident	125 Å²	125	84.2 Å²	84.2	65%	0.654	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.1	-178.8	-73.1	163.5	0	0	0	114.8	N508	N508-L510 PolarHBondContact O-N 3.48Å
511	I	58.7	Low	70.5	Confident	125 Å²	125	89.8 Å²	89.8	64%	0.641	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-75.6	-37.5	-170.3	-66.1	178.3	0	0	0	111.3	N508 R513	N508-I511 HydrophobicContact CB-CD1 3.91Å; N508-I511 HydrophobicContact CB-CG1 4.07Å; N508-I511 PolarHBondContact O-N 3.28Å; I511-R513 VanDerWaalsContact C-N 3.28Å; I511-R513 PolarHBondContact O-N 3.34Å
512	T	53.8	Low	70	Confident	58 Å²	58	93.8 Å²	93.8	36%	0.356	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-75.5	-10.3	-178.1	-4.8	0	0	0	0	114.3
513	R	53.1	Low	69.6	Low	186 Å²	186	93.5 Å²	93.5	70%	0.702	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-75.9	-22.3	-177.1	-91.4	-171.2	172.8	-173.9	-1.5	114.9	I511	I511-R513 VanDerWaalsContact C-N 3.28Å; I511-R513 PolarHBondContact O-N 3.34Å
514	Y	57.8	Low	69.5	Low	214 Å²	214	95.2 Å²	95.2	84%	0.839	47%	0.466	S	S	*	.	S	Bend	trans	-100	-7.1	-173.2	-89	-84	0	0	0	115.3
515	F	55.2	Low	69.4	Low	170 Å²	170	92.1 Å²	92.1	75%	0.746	45%	0.454	S	S	*	.	S	Bend	trans	-121.4	97.8	175.6	-94.5	-97.2	0	0	0	111.5
516	I	51.6	Low	69.3	Low	144 Å²	144	92.9 Å²	92.9	74%	0.738	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	74.3	159	-43.4	177	0	0	0	115.2	L518	I516-L518 PolarHBondContact O-N 3.05Å
517	G	55.7	Low	69.4	Low	81 Å²	81	96.9 Å²	96.9	84%	0.835	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	-1.6	147.1	0	0	0	0	0	119.8	Y519	G517-Y519 PolarHBondContact O-N 2.99Å
518	L	54.3	Low	69.7	Low	120 Å²	120	98.8 Å²	98.8	63%	0.628	49%	0.487	S	S	*	.			trans	-81.4	119.2	-171.8	-93.2	151.1	0	0	0	110.3	I516	I516-L518 PolarHBondContact O-N 3.05Å
519	Y	58.2	Low	70.6	Confident	210 Å²	210	98 Å²	98	82%	0.824	48%	0.481	S	S	*	.			trans	-44.1	139.4	179.2	-78.2	-99.2	0	0	0	112.3	G517 K521	G517-Y519 PolarHBondContact O-N 2.99Å; Y519-K521 PolarHBondContact O-N 3.14Å
520	I	60.2	Low	72	Confident	72 Å²	72	95.7 Å²	95.7	37%	0.369	47%	0.465	S	S	.	.			trans	-54	100.5	172.4	-61.8	176.2	0	0	0	108.2	E522 P552	I520-E522 PolarHBondContact O-N 3.37Å; I520-P552 HydrophobicContact CG2-CG 3.32Å
521	K	67.3	Low	73.7	Confident	158 Å²	158	90.6 Å²	90.6	69%	0.687	44%	0.437	S	S	*	.			trans	-70.8	99.2	-177.9	-77.5	-167.8	174.7	-175.1	0	110.1	Y519	Y519-K521 PolarHBondContact O-N 3.14Å
522	E	84.8	Confident	75.5	Confident	84 Å²	84	84.6 Å²	84.6	39%	0.393	41%	0.406	S	S	.	.			trans	-54.9	141.3	151.2	-49.5	-165.2	114.3	0	0	108.9	I520 R549 S551	I520-E522 PolarHBondContact O-N 3.37Å; E522-R549 HydrophobicContact CB-CB 4.17Å; E522-S551 WeakPolarHBondContact OE1-CB 3.31Å; E522-S551 PolarHBondContact OE1-OG 3.21Å
523	I	88	Confident	77.5	Confident	17 Å²	17	85.3 Å²	85.3	9%	0.087	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.1	178	-59.5	175.6	0	0	0	107.2	L489 N505 I525 Y528 R549 M550	L489-I523 HydrophobicContact CD1-CG2 4.09Å; L489-I523 HydrophobicContact CD2-CD1 3.9Å; L489-I523 HydrophobicContact CD2-CG2 4.33Å; L489-I523 HydrophobicContact CG-CD1 3.9Å; L489-I523 HydrophobicContact CG-CG2 4.25Å; N505-I523 HydrophobicContact CB-CD1 4.41Å; N505-I523 WeakPolarHBondContact ND2-CD1 3.33Å; N505-I523 WeakPolarHBondContact OD1-CD1 3.42Å; I523-I525 PolarHBondContact O-N 2.9Å; I523-Y528 HydrophobicContact CG2-CE2 3.72Å; I523-R549 WeakPolarHBondContact O-CA 3.46Å; I523-M550 PolarHBondContact N-O 3.47Å; I523-M550 PolarHBondContact O-N 2.83Å
524	D	91.1	Very high	79.5	Confident	36 Å²	36	78.8 Å²	78.8	19%	0.193	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	77.5	-179.9	-154.7	-46.1	0	0	0	110	G526 L527 Y528 V548 R549	D524-G526 PolarHBondContact O-N 3.32Å; D524-L527 HydrophobicContact CB-CD1 4.44Å; D524-L527 PolarHBondContact O-N 3.42Å; D524-Y528 WeakPolarHBondContact O-CD2 3.46Å; D524-Y528 WeakPolarHBondContact O-CE2 3.42Å; D524-V548 CarbonylContact C-O 3.56Å; D524-R549 IonicContact OD2-CZ 3.38Å; D524-R549 VanDerWaalsContact OD2-CZ 3.22Å; D524-R549 IonicContact OD2-NE 3.74Å; D524-R549 PolarHBondContact OD2-NE 3Å; D524-R549 IonicContact OD2-NH2 3.18Å; D524-R549 PolarHBondContact OD2-NH2 2.88Å
525	I	92.6	Very high	80.9	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-65	-16.2	-166.5	-147.7	174	0	0	0	112.5	L489 L503 I523 L527 Y528 F544 V548 M550 F556	L489-I525 HydrophobicContact CD2-CD1 4.35Å; L503-I525 HydrophobicContact CD1-CD1 3.98Å; I523-I525 PolarHBondContact O-N 2.9Å; I525-L527 PolarHBondContact O-N 2.88Å; I525-Y528 HydrophobicContact CG1-CD2 4.42Å; I525-Y528 PolarHBondContact O-N 2.76Å; I525-F544 HydrophobicContact CB-CD2 4.44Å; I525-F544 HydrophobicContact CD1-CD2 4.25Å; I525-F544 HydrophobicContact CD1-CE1 4.11Å; I525-F544 HydrophobicContact CD1-CE2 3.66Å; I525-F544 HydrophobicContact CD1-CZ 3.59Å; I525-F544 HydrophobicContact CG1-CD2 3.81Å; I525-F544 HydrophobicContact CG1-CE2 3.68Å; I525-F544 HydrophobicContact CG1-CG 4.33Å; I525-F544 HydrophobicContact CG1-CZ 4.1Å; I525-F544 HydrophobicContact CG2-CB 4.14Å; I525-F544 HydrophobicContact CG2-CD1 3.81Å; I525-F544 HydrophobicContact CG2-CD2 4.12Å; I525-F544 HydrophobicContact CG2-CE1 4.23Å; I525-F544 HydrophobicContact CG2-CG 3.76Å; I525-F544 WeakPolarHBondContact O-CD2 3.41Å; I525-V548 HydrophobicContact CG2-CB 3.9Å; I525-V548 HydrophobicContact CG2-CG1 3.51Å; I525-V548 PolarHBondContact N-O 3.34Å; I525-M550 HydrophobicContact CB-CB 4.47Å; I525-M550 HydrophobicContact CD1-SD 3.88Å; I525-F556 HydrophobicContact CD1-CD2 4.15Å; I525-F556 HydrophobicContact CG2-CD2 4.4Å; I525-F556 HydrophobicContact CG2-CE2 3.91Å
526	G	91.6	Very high	82.6	Confident	15 Å²	15	74.2 Å²	74.2	16%	0.155	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-58.7	-21.3	169.3	0	0	0	0	0	115	D524 Y528 P545 V548	D524-G526 PolarHBondContact O-N 3.32Å; G526-Y528 VanDerWaalsContact C-N 3.25Å; G526-Y528 PolarHBondContact O-N 2.85Å; G526-P545 WeakPolarHBondContact CA-O 3.41Å; G526-V548 PolarHBondContact N-O 2.79Å
527	L	91	Very high	84.6	Confident	107 Å²	107	74.1 Å²	74.1	56%	0.56	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-85	7	174.2	-59.9	-179.9	0	0	0	113.9	D524 I525 N596 S597	D524-L527 HydrophobicContact CB-CD1 4.44Å; D524-L527 PolarHBondContact O-N 3.42Å; I525-L527 PolarHBondContact O-N 2.88Å; L527-N596 CarbonylContact O-C 3.56Å; L527-S597 PolarHBondContact O-N 3.31Å
528	Y	94	Very high	86.4	Confident	54 Å²	54	74.4 Å²	74.4	21%	0.212	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	161.3	-172.4	-52.5	-96	0	0	0	111.3	I523 D524 I525 G526 S595 N596 L602	I523-Y528 HydrophobicContact CG2-CE2 3.72Å; D524-Y528 WeakPolarHBondContact O-CD2 3.46Å; D524-Y528 WeakPolarHBondContact O-CE2 3.42Å; I525-Y528 HydrophobicContact CG1-CD2 4.42Å; I525-Y528 PolarHBondContact O-N 2.76Å; G526-Y528 VanDerWaalsContact C-N 3.25Å; G526-Y528 PolarHBondContact O-N 2.85Å; Y528-S595 CarbonylContact C-O 3.55Å; Y528-S595 VanDerWaalsContact CA-O 3.26Å; Y528-S595 WeakPolarHBondContact CA-O 3.28Å; Y528-S595 WeakPolarHBondContact CB-O 3.37Å; Y528-N596 HydrophobicContact CD1-CB 3.76Å; Y528-N596 HydrophobicContact CE1-CB 3.89Å; Y528-L602 HydrophobicContact CD1-CD1 3.35Å; Y528-L602 HydrophobicContact CE1-CD1 3.21Å
529	K	95.5	Very high	88.5	Confident	33 Å²	33	71.4 Å²	71.4	14%	0.143	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.6	179.4	59.2	-170.1	-178	-178	0	110.8	Y542 T543 V594 S595 D599	K529-Y542 WeakPolarHBondContact CA-O 3.27Å; K529-T543 HydrophobicContact CB-CG2 4.39Å; K529-V594 WeakPolarHBondContact O-CA 3.49Å; K529-S595 WeakPolarHBondContact CE-OG 3.41Å; K529-S595 PolarHBondContact N-O 3.33Å; K529-S595 PolarHBondContact O-N 3.03Å; K529-D599 WeakPolarHBondContact CE-OD1 3.47Å; K529-D599 IonicContact NZ-OD1 2.74Å; K529-D599 PolarHBondContact NZ-OD1 3.09Å; K529-D599 IonicContact NZ-OD2 2.94Å; K529-D599 PolarHBondContact NZ-OD2 3.36Å
530	V	97	Very high	90.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.3	174.2	-170.8	0	0	0	0	108.5	L501 L503 E541 Y542 F544 L558 W584 T592 M593 V594	L501-V530 HydrophobicContact CD2-CG1 3.59Å; L501-V530 HydrophobicContact CD2-CG2 4.5Å; L503-V530 HydrophobicContact CD1-CG2 4.03Å; V530-E541 CarbonylContact O-C 3.49Å; V530-E541 WeakPolarHBondContact O-CA 3.39Å; V530-Y542 PolarHBondContact N-O 2.96Å; V530-Y542 PolarHBondContact O-N 3.14Å; V530-F544 HydrophobicContact CG2-CE2 3.74Å; V530-F544 HydrophobicContact CG2-CZ 4.02Å; V530-L558 HydrophobicContact CB-CD2 4.36Å; V530-L558 HydrophobicContact CG2-CD2 3.79Å; V530-W584 HydrophobicContact CB-CH2 4.16Å; V530-W584 HydrophobicContact CG1-CH2 3.68Å; V530-W584 HydrophobicContact CG1-CZ3 3.95Å; V530-T592 HydrophobicContact CG1-CG2 3.77Å; V530-M593 WeakPolarHBondContact CA-O 3.21Å; V530-V594 HydrophobicContact CG2-CG2 4.33Å
531	W	96.6	Very high	92	Very high	18 Å²	18	61.8 Å²	61.8	7%	0.068	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154	175.5	49	-81.5	0	0	0	111.6	K533 K538 N540 E541 T592 M593 S595 I601	W531-K533 HydrophobicContact CE3-CD 4.41Å; W531-K533 HydrophobicContact CE3-CG 4.03Å; W531-K533 HydrophobicContact CZ3-CD 3.69Å; W531-K533 HydrophobicContact CZ3-CG 3.78Å; W531-K538 VanDerWaalsContact CB-CE 3.47Å; W531-K538 HydrophobicContact CB-CG 4.38Å; W531-K538 HydrophobicContact CE3-CG 4.45Å; W531-N540 CarbonylContact C-O 3.54Å; W531-N540 WeakPolarHBondContact CA-O 3.31Å; W531-N540 WeakPolarHBondContact CB-O 3.41Å; W531-E541 HydrophobicContact CB-CB 4.41Å; W531-T592 WeakPolarHBondContact O-CA 3.48Å; W531-M593 HydrophobicContact CD2-CB 4.23Å; W531-M593 HydrophobicContact CE3-CB 4.45Å; W531-M593 HydrophobicContact CE3-CE 3.64Å; W531-M593 HydrophobicContact CE3-SD 4.29Å; W531-M593 HydrophobicContact CH2-CB 4.27Å; W531-M593 HydrophobicContact CH2-CE 3.82Å; W531-M593 HydrophobicContact CH2-CG 4.41Å; W531-M593 HydrophobicContact CH2-SD 3.39Å; W531-M593 WeakPolarHBondContact CH2-SD 3.36Å; W531-M593 HydrophobicContact CZ2-CB 4.03Å; W531-M593 HydrophobicContact CZ2-SD 4.07Å; W531-M593 HydrophobicContact CZ3-CB 4.46Å; W531-M593 HydrophobicContact CZ3-CE 3.23Å; W531-M593 HydrophobicContact CZ3-SD 3.51Å; W531-M593 VanDerWaalsContact CZ3-SD 3.51Å; W531-M593 PolarHBondContact N-O 3.38Å; W531-M593 PolarHBondContact O-N 3.27Å; W531-S595 PolarHBondContact NE1-OG 2.94Å; W531-I601 HydrophobicContact CH2-CD1 4.28Å; W531-I601 HydrophobicContact CZ2-CD1 4.37Å; W531-I601 HydrophobicContact CZ2-CG1 4.18Å
532	Q	96.8	Very high	93.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.2	-179.6	-163.4	167	42.2	0	0	109.8	K538 I539 N540 F585 I591 T592	Q532-K538 CarbonylContact O-C 3.58Å; Q532-K538 WeakPolarHBondContact O-CA 3.41Å; Q532-I539 HydrophobicContact CB-CD1 4.48Å; Q532-I539 HydrophobicContact CB-CG1 4Å; Q532-I539 HydrophobicContact CG-CD1 4.12Å; Q532-I539 HydrophobicContact CG-CG1 4.17Å; Q532-I539 PolarHBondContact O-N 3.5Å; Q532-N540 HydrophobicContact CB-CB 3.91Å; Q532-N540 PolarHBondContact N-O 2.89Å; Q532-N540 PolarHBondContact OE1-ND2 3.38Å; Q532-F585 PolarHBondContact NE2-O 3.5Å; Q532-I591 CarbonylContact C-O 3.55Å; Q532-I591 WeakPolarHBondContact CA-O 3.36Å; Q532-T592 WeakPolarHBondContact CG-OG1 3.47Å; Q532-T592 PolarHBondContact NE2-OG1 3.06Å
533	K	96	Very high	94	Very high	72 Å²	72	55.3 Å²	55.3	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.1	167	-79.4	-175.8	175.5	174.7	0	111.6	W531 Q536 E537 K538 Y590 I591 M593	W531-K533 HydrophobicContact CE3-CD 4.41Å; W531-K533 HydrophobicContact CE3-CG 4.03Å; W531-K533 HydrophobicContact CZ3-CD 3.69Å; W531-K533 HydrophobicContact CZ3-CG 3.78Å; K533-Q536 VanDerWaalsContact CD-O 3.32Å; K533-Q536 WeakPolarHBondContact CD-O 3.48Å; K533-Q536 VanDerWaalsContact CE-O 3.28Å; K533-Q536 WeakPolarHBondContact CE-O 3.41Å; K533-E537 CarbonylContact C-O 3.56Å; K533-E537 WeakPolarHBondContact CA-O 3.5Å; K533-E537 WeakPolarHBondContact CB-O 3.4Å; K533-E537 WeakPolarHBondContact CG-O 3.29Å; K533-K538 HydrophobicContact CG-CB 4.41Å; K533-Y590 WeakPolarHBondContact O-CA 3.42Å; K533-I591 PolarHBondContact N-O 3.38Å; K533-I591 PolarHBondContact O-N 2.91Å; K533-M593 HydrophobicContact CB-CE 4.23Å; K533-M593 HydrophobicContact CG-CE 4.37Å
534	H	94.4	Very high	94.3	Very high	49 Å²	49	54.9 Å²	54.9	23%	0.227	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.6	157.9	179.1	-111.1	0	0	0	107.9	Q536 E537 I539 N589 Y590	H534-Q536 VanDerWaalsContact C-N 3.28Å; H534-Q536 PolarHBondContact O-N 2.99Å; H534-E537 PolarHBondContact N-O 3.37Å; H534-E537 PolarHBondContact O-N 2.86Å; H534-I539 HydrophobicContact CB-CD1 4.23Å; H534-I539 HydrophobicContact CB-CG2 3.87Å; H534-N589 WeakPolarHBondContact CA-O 3.39Å; H534-N589 WeakPolarHBondContact NE2-CB 3.45Å; H534-Y590 HydrophobicContact CB-CD1 3.89Å; H534-Y590 HydrophobicContact CB-CE1 3.77Å; H534-Y590 AromaticContact CD2-CD1 3.86Å; H534-Y590 AromaticContact CD2-CE1 3.49Å; H534-Y590 VanDerWaalsContact CD2-CE1 3.49Å; H534-Y590 WeakPolarHBondContact CD2-CE1 3.31Å; H534-Y590 AromaticContact CD2-CZ 3.71Å; H534-Y590 AromaticContact CG-CE1 3.85Å
535	I	88.1	Confident	94.4	Very high	124 Å²	124	56.5 Å²	56.5	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-79.9	-174.5	-52.5	171.1	0	0	0	112.3	N589	I535-N589 PolarHBondContact N-O 3.09Å; I535-N589 VanDerWaalsContact N-O 3.1Å
536	Q	88.9	Confident	94.3	Very high	164 Å²	164	60 Å²	60	77%	0.766	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-19.8	176.1	-71.9	178	-0.7	0	0	113.2	K533 H534	K533-Q536 VanDerWaalsContact CD-O 3.32Å; K533-Q536 WeakPolarHBondContact CD-O 3.48Å; K533-Q536 VanDerWaalsContact CE-O 3.28Å; K533-Q536 WeakPolarHBondContact CE-O 3.41Å; H534-Q536 VanDerWaalsContact C-N 3.28Å; H534-Q536 PolarHBondContact O-N 2.99Å
537	E	93.9	Very high	94.2	Very high	142 Å²	142	66.1 Å²	66.1	66%	0.664	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.1	-177	-177.5	173.8	-153.2	0	0	111.4	K533 H534	K533-E537 CarbonylContact C-O 3.56Å; K533-E537 WeakPolarHBondContact CA-O 3.5Å; K533-E537 WeakPolarHBondContact CB-O 3.4Å; K533-E537 WeakPolarHBondContact CG-O 3.29Å; H534-E537 PolarHBondContact N-O 3.37Å; H534-E537 PolarHBondContact O-N 2.86Å
538	K	95.2	Very high	94.3	Very high	87 Å²	87	62.2 Å²	62.2	38%	0.378	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.3	-176.7	-167.3	-172.9	-167.1	-174.9	0	109.8	W531 Q532 K533 E541	W531-K538 VanDerWaalsContact CB-CE 3.47Å; W531-K538 HydrophobicContact CB-CG 4.38Å; W531-K538 HydrophobicContact CE3-CG 4.45Å; Q532-K538 CarbonylContact O-C 3.58Å; Q532-K538 WeakPolarHBondContact O-CA 3.41Å; K533-K538 HydrophobicContact CG-CB 4.41Å; K538-E541 WeakPolarHBondContact CE-OE2 3.47Å; K538-E541 IonicContact NZ-OE1 2.6Å; K538-E541 PolarHBondContact NZ-OE1 3.08Å; K538-E541 IonicContact NZ-OE2 2.66Å; K538-E541 PolarHBondContact NZ-OE2 3.13Å
539	I	96.6	Very high	94.2	Very high	57 Å²	57	66.3 Å²	66.3	29%	0.292	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-24.2	-169.4	67	177.2	0	0	0	114.2	Q532 H534 F585 Y590	Q532-I539 HydrophobicContact CB-CD1 4.48Å; Q532-I539 HydrophobicContact CB-CG1 4Å; Q532-I539 HydrophobicContact CG-CD1 4.12Å; Q532-I539 HydrophobicContact CG-CG1 4.17Å; Q532-I539 PolarHBondContact O-N 3.5Å; H534-I539 HydrophobicContact CB-CD1 4.23Å; H534-I539 HydrophobicContact CB-CG2 3.87Å; I539-F585 HydrophobicContact CD1-CB 4.3Å; I539-F585 HydrophobicContact CD1-CD2 3.41Å; I539-F585 VanDerWaalsContact CD1-CD2 3.41Å; I539-F585 HydrophobicContact CD1-CE2 3.92Å; I539-F585 HydrophobicContact CD1-CG 3.97Å; I539-F585 HydrophobicContact CG1-CD2 4.35Å; I539-Y590 HydrophobicContact CD1-CD1 3.5Å; I539-Y590 VanDerWaalsContact CD1-CD1 3.5Å; I539-Y590 HydrophobicContact CD1-CE1 3.47Å; I539-Y590 VanDerWaalsContact CD1-CE1 3.47Å
540	N	97.2	Very high	94	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.059	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.6	178.5	-75.7	-50.8	0	0	0	108.8	W531 Q532 V581 K583 W584	W531-N540 CarbonylContact C-O 3.54Å; W531-N540 WeakPolarHBondContact CA-O 3.31Å; W531-N540 WeakPolarHBondContact CB-O 3.41Å; Q532-N540 HydrophobicContact CB-CB 3.91Å; Q532-N540 PolarHBondContact N-O 2.89Å; Q532-N540 PolarHBondContact OE1-ND2 3.38Å; N540-V581 HydrophobicContact CB-CG1 4.35Å; N540-V581 HydrophobicContact CB-CG2 4.09Å; N540-K583 PolarHBondContact ND2-O 3Å; N540-W584 HydrophobicContact CB-CZ3 4.32Å
541	E	96.6	Very high	93.7	Very high	69 Å²	69	66.8 Å²	66.8	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.9	170.3	178.1	156.4	-135	0	0	110.5	V530 W531 K538	V530-E541 CarbonylContact O-C 3.49Å; V530-E541 WeakPolarHBondContact O-CA 3.39Å; W531-E541 HydrophobicContact CB-CB 4.41Å; K538-E541 WeakPolarHBondContact CE-OE2 3.47Å; K538-E541 IonicContact NZ-OE1 2.6Å; K538-E541 PolarHBondContact NZ-OE1 3.08Å; K538-E541 IonicContact NZ-OE2 2.66Å; K538-E541 PolarHBondContact NZ-OE2 3.13Å
542	Y	97.3	Very high	93.4	Very high	24 Å²	24	67.1 Å²	67.1	9%	0.094	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	115.4	173.4	-179.5	-102.4	0	0	0	110	K529 V530 F544 L558 F576 C578	K529-Y542 WeakPolarHBondContact CA-O 3.27Å; V530-Y542 PolarHBondContact N-O 2.96Å; V530-Y542 PolarHBondContact O-N 3.14Å; Y542-F544 HydrophobicContact CD1-CE1 4.46Å; Y542-F544 AromaticContact CE1-CD1 3.73Å; Y542-F544 HydrophobicContact CE1-CD1 3.73Å; Y542-F544 AromaticContact CE1-CE1 3.88Å; Y542-F544 HydrophobicContact CE1-CE1 3.88Å; Y542-F544 HydrophobicContact CE1-CG 4.14Å; Y542-F544 HydrophobicContact CE1-CZ 4.42Å; Y542-L558 HydrophobicContact CD1-CD2 3.57Å; Y542-L558 HydrophobicContact CE1-CD2 3.97Å; Y542-L558 HydrophobicContact CG-CD2 4.46Å; Y542-F576 HydrophobicContact CE1-CB 4.47Å; Y542-C578 HydrophobicContact CD2-CB 3.61Å; Y542-C578 WeakPolarHBondContact CD2-SG 3.46Å; Y542-C578 HydrophobicContact CE2-CB 4.07Å; Y542-C578 HydrophobicContact CG-CB 4Å
543	T	96.1	Very high	93.1	Very high	82 Å²	82	72.6 Å²	72.6	50%	0.503	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.3	168.4	-48	0	0	0	0	108.3	K529	K529-T543 HydrophobicContact CB-CG2 4.39Å
544	F	94.6	Very high	92.9	Very high	8 Å²	8	70.8 Å²	70.8	4%	0.035	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.3	152.6	173.5	-67.8	-86.4	0	0	0	110.7	L503 I525 V530 Y542 F556 L558 F576	L503-F544 HydrophobicContact CD1-CE2 4.23Å; L503-F544 HydrophobicContact CD1-CZ 3.74Å; I525-F544 HydrophobicContact CB-CD2 4.44Å; I525-F544 HydrophobicContact CD1-CD2 4.25Å; I525-F544 HydrophobicContact CD1-CE1 4.11Å; I525-F544 HydrophobicContact CD1-CE2 3.66Å; I525-F544 HydrophobicContact CD1-CZ 3.59Å; I525-F544 HydrophobicContact CG1-CD2 3.81Å; I525-F544 HydrophobicContact CG1-CE2 3.68Å; I525-F544 HydrophobicContact CG1-CG 4.33Å; I525-F544 HydrophobicContact CG1-CZ 4.1Å; I525-F544 HydrophobicContact CG2-CB 4.14Å; I525-F544 HydrophobicContact CG2-CD1 3.81Å; I525-F544 HydrophobicContact CG2-CD2 4.12Å; I525-F544 HydrophobicContact CG2-CE1 4.23Å; I525-F544 HydrophobicContact CG2-CG 3.76Å; I525-F544 WeakPolarHBondContact O-CD2 3.41Å; V530-F544 HydrophobicContact CG2-CE2 3.74Å; V530-F544 HydrophobicContact CG2-CZ 4.02Å; Y542-F544 HydrophobicContact CD1-CE1 4.46Å; Y542-F544 AromaticContact CE1-CD1 3.73Å; Y542-F544 HydrophobicContact CE1-CD1 3.73Å; Y542-F544 AromaticContact CE1-CE1 3.88Å; Y542-F544 HydrophobicContact CE1-CE1 3.88Å; Y542-F544 HydrophobicContact CE1-CG 4.14Å; Y542-F544 HydrophobicContact CE1-CZ 4.42Å; F544-F556 HydrophobicContact CE1-CD2 4.44Å; F544-L558 HydrophobicContact CE1-CD1 4.16Å; F544-L558 HydrophobicContact CE1-CD2 4.07Å; F544-L558 HydrophobicContact CE1-CG 4.24Å; F544-L558 HydrophobicContact CZ-CD1 4Å; F544-L558 HydrophobicContact CZ-CD2 3.75Å; F544-L558 HydrophobicContact CZ-CG 4.24Å; F544-F576 HydrophobicContact CD1-CD1 4.33Å; F544-F576 HydrophobicContact CD1-CE1 4.47Å; F544-F576 HydrophobicContact CD1-CG 4.47Å; F544-F576 HydrophobicContact CE1-CD2 4.31Å; F544-F576 HydrophobicContact CE1-CG 4.34Å
545	P	93.6	Very high	92.8	Very high	70 Å²	70	70.7 Å²	70.7	46%	0.455	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-57.2	153.6	164.8	-19.7	30.6	0	0	0	111.3	G526 V548	G526-P545 WeakPolarHBondContact CA-O 3.41Å; P545-V548 HydrophobicContact CB-CG2 3.88Å; P545-V548 HydrophobicContact CG-CG2 4.16Å; P545-V548 WeakPolarHBondContact O-CG2 3.27Å
546	A	88.8	Confident	93.2	Very high	75 Å²	75	64.9 Å²	64.9	62%	0.62	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	161	167.2	0	0	0	0	0	111.4	V548	A546-V548 PolarHBondContact O-N 3.43Å
547	D	89.6	Confident	93.5	Very high	143 Å²	143	58.3 Å²	58.3	77%	0.765	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	1	178.8	-48.4	-48	0	0	0	116.2	R549	D547-R549 PolarHBondContact O-N 3.13Å
548	V	92.8	Very high	93.6	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	27%	0.274	C	S	.	.			trans	-74.6	120.6	175.6	-176.2	0	0	0	0	109.8	D524 I525 G526 P545 A546 F556 F576	D524-V548 CarbonylContact C-O 3.56Å; I525-V548 HydrophobicContact CG2-CB 3.9Å; I525-V548 HydrophobicContact CG2-CG1 3.51Å; I525-V548 PolarHBondContact N-O 3.34Å; G526-V548 PolarHBondContact N-O 2.79Å; P545-V548 HydrophobicContact CB-CG2 3.88Å; P545-V548 HydrophobicContact CG-CG2 4.16Å; P545-V548 WeakPolarHBondContact O-CG2 3.27Å; A546-V548 PolarHBondContact O-N 3.43Å; V548-F556 HydrophobicContact CG1-CE2 3.76Å; V548-F556 HydrophobicContact CG1-CZ 4.29Å; V548-F576 HydrophobicContact CG1-CE1 3.78Å; V548-F576 HydrophobicContact CG1-CE2 4.42Å; V548-F576 HydrophobicContact CG1-CZ 3.42Å; V548-F576 VanDerWaalsContact CG1-CZ 3.42Å; V548-F576 HydrophobicContact CG2-CE1 4.11Å
549	R	92.5	Very high	93.6	Very high	140 Å²	140	48.4 Å²	48.4	53%	0.528	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	-178.9	-67.2	-171.1	168.4	-177.9	-0.7	112.5	E522 I523 D524 D547 F556	E522-R549 HydrophobicContact CB-CB 4.17Å; I523-R549 WeakPolarHBondContact O-CA 3.46Å; D524-R549 IonicContact OD2-CZ 3.38Å; D524-R549 VanDerWaalsContact OD2-CZ 3.22Å; D524-R549 IonicContact OD2-NE 3.74Å; D524-R549 PolarHBondContact OD2-NE 3Å; D524-R549 IonicContact OD2-NH2 3.18Å; D524-R549 PolarHBondContact OD2-NH2 2.88Å; D547-R549 PolarHBondContact O-N 3.13Å; R549-F556 WeakPolarHBondContact O-CZ 3.26Å
550	M	92.4	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	98.6	-178.1	-169.8	178.7	-167.2	0	0	109.6	L489 L503 N505 I523 I525 T554 F556	L489-M550 HydrophobicContact CD2-SD 3.59Å; L489-M550 VanDerWaalsContact CD2-SD 3.59Å; L503-M550 HydrophobicContact CB-CE 4.36Å; L503-M550 WeakPolarHBondContact O-CE 3.39Å; N505-M550 HydrophobicContact CB-CE 4.06Å; N505-M550 HydrophobicContact CB-CG 3.92Å; N505-M550 HydrophobicContact CB-SD 3.95Å; N505-M550 PolarHBondContact ND2-O 3.06Å; I523-M550 PolarHBondContact N-O 3.47Å; I523-M550 PolarHBondContact O-N 2.83Å; I525-M550 HydrophobicContact CB-CB 4.47Å; I525-M550 HydrophobicContact CD1-SD 3.88Å; M550-T554 VanDerWaalsContact CE-O 3.29Å; M550-T554 WeakPolarHBondContact CE-O 3.33Å; M550-T554 WeakPolarHBondContact CG-OG1 3.31Å; M550-F556 HydrophobicContact CB-CD2 4.49Å; M550-F556 HydrophobicContact CB-CE1 4.08Å; M550-F556 HydrophobicContact CB-CE2 4.01Å; M550-F556 HydrophobicContact CB-CZ 3.8Å; M550-F556 HydrophobicContact CE-CB 3.79Å; M550-F556 HydrophobicContact CE-CD1 3.8Å; M550-F556 HydrophobicContact CE-CG 3.78Å; M550-F556 HydrophobicContact CG-CD1 3.81Å; M550-F556 HydrophobicContact CG-CD2 4.29Å; M550-F556 HydrophobicContact CG-CE1 3.71Å; M550-F556 HydrophobicContact CG-CE2 4.21Å; M550-F556 HydrophobicContact CG-CG 4.13Å; M550-F556 HydrophobicContact CG-CZ 3.94Å; M550-F556 HydrophobicContact SD-CB 4.45Å; M550-F556 HydrophobicContact SD-CD1 4.26Å; M550-F556 HydrophobicContact SD-CD2 4.25Å; M550-F556 HydrophobicContact SD-CG 4.06Å
551	S	90.9	Very high	93.6	Very high	43 Å²	43	47.9 Å²	47.9	30%	0.301	26%	0.258	S	S	.	.			trans	-63.7	157.8	-179.7	-34.5	0	0	0	0	111.8	N505 E522 T554	N505-S551 PolarHBondContact ND2-O 3.46Å; E522-S551 WeakPolarHBondContact OE1-CB 3.31Å; E522-S551 PolarHBondContact OE1-OG 3.21Å; S551-T554 WeakPolarHBondContact O-CB 3.5Å; S551-T554 WeakPolarHBondContact O-CG2 3.23Å; S551-T554 PolarHBondContact O-N 3.43Å; S551-T554 PolarHBondContact O-OG1 2.73Å
552	P	89.4	Confident	93.5	Very high	24 Å²	24	50 Å²	50	16%	0.156	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	148.2	-178.5	-22.3	30.7	0	0	0	113.5	T507 I520 T554	T507-P552 HydrophobicContact CG2-CB 4.17Å; T507-P552 HydrophobicContact CG2-CG 4.25Å; T507-P552 WeakPolarHBondContact O-CB 3.47Å; I520-P552 HydrophobicContact CG2-CG 3.32Å; P552-T554 PolarHBondContact O-N 3.36Å
553	R	89.6	Confident	93.2	Very high	115 Å²	115	49.2 Å²	49.2	43%	0.434	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-5.4	-177.4	-56.7	-58.2	-159.1	162.5	8.5	116.4	W504 N505 T507 N508	W504-R553 PolarHBondContact NE1-O 3.4Å; N505-R553 WeakPolarHBondContact O-CA 3.38Å; N505-R553 PolarHBondContact O-N 2.89Å; T507-R553 WeakPolarHBondContact O-CD 3.25Å; N508-R553 PolarHBondContact OD1-NE 3.16Å; N508-R553 PolarHBondContact OD1-NH2 2.84Å
554	T	91.9	Very high	92.9	Very high	34 Å²	34	52 Å²	52	21%	0.209	28%	0.281	C	S	.	.			trans	-67.5	153.5	176	65.4	0	0	0	0	112.2	W504 N505 M550 S551 P552	W504-T554 VanDerWaalsContact CD1-O 3.23Å; N505-T554 PolarHBondContact N-O 2.83Å; M550-T554 VanDerWaalsContact CE-O 3.29Å; M550-T554 WeakPolarHBondContact CE-O 3.33Å; M550-T554 WeakPolarHBondContact CG-OG1 3.31Å; S551-T554 WeakPolarHBondContact O-CB 3.5Å; S551-T554 WeakPolarHBondContact O-CG2 3.23Å; S551-T554 PolarHBondContact O-N 3.43Å; S551-T554 PolarHBondContact O-OG1 2.73Å; P552-T554 PolarHBondContact O-N 3.36Å
555	V	93.6	Very high	92.6	Very high	48 Å²	48	54.6 Å²	54.6	29%	0.291	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.4	169.7	176.1	0	0	0	0	108.1	L502 L503 W504 N574	L502-V555 HydrophobicContact CB-CG1 4.34Å; L502-V555 HydrophobicContact CD2-CG1 4.16Å; L503-V555 CarbonylContact O-C 3.6Å; L503-V555 VanDerWaalsContact O-CA 3.3Å; L503-V555 WeakPolarHBondContact O-CA 3.48Å; L503-V555 WeakPolarHBondContact O-CG1 3.36Å; W504-V555 HydrophobicContact CB-CG2 4.38Å; W504-V555 HydrophobicContact CG-CG2 4.32Å; V555-N574 WeakPolarHBondContact O-CB 3.41Å; V555-N574 PolarHBondContact O-ND2 3.15Å
556	F	95	Very high	92.1	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	174.6	-86.3	24.7	0	0	0	109.7	L502 L503 I525 F544 V548 R549 M550 N574 F576	L502-F556 WeakPolarHBondContact CA-O 3.46Å; L503-F556 HydrophobicContact CB-CB 4.37Å; L503-F556 PolarHBondContact N-O 3.5Å; L503-F556 PolarHBondContact O-N 2.94Å; I525-F556 HydrophobicContact CD1-CD2 4.15Å; I525-F556 HydrophobicContact CG2-CD2 4.4Å; I525-F556 HydrophobicContact CG2-CE2 3.91Å; F544-F556 HydrophobicContact CE1-CD2 4.44Å; V548-F556 HydrophobicContact CG1-CE2 3.76Å; V548-F556 HydrophobicContact CG1-CZ 4.29Å; R549-F556 WeakPolarHBondContact O-CZ 3.26Å; M550-F556 HydrophobicContact CB-CD2 4.49Å; M550-F556 HydrophobicContact CB-CE1 4.08Å; M550-F556 HydrophobicContact CB-CE2 4.01Å; M550-F556 HydrophobicContact CB-CZ 3.8Å; M550-F556 HydrophobicContact CE-CB 3.79Å; M550-F556 HydrophobicContact CE-CD1 3.8Å; M550-F556 HydrophobicContact CE-CG 3.78Å; M550-F556 HydrophobicContact CG-CD1 3.81Å; M550-F556 HydrophobicContact CG-CD2 4.29Å; M550-F556 HydrophobicContact CG-CE1 3.71Å; M550-F556 HydrophobicContact CG-CE2 4.21Å; M550-F556 HydrophobicContact CG-CG 4.13Å; M550-F556 HydrophobicContact CG-CZ 3.94Å; M550-F556 HydrophobicContact SD-CB 4.45Å; M550-F556 HydrophobicContact SD-CD1 4.26Å; M550-F556 HydrophobicContact SD-CD2 4.25Å; M550-F556 HydrophobicContact SD-CG 4.06Å; F556-N574 CarbonylContact C-O 3.59Å; F556-N574 VanDerWaalsContact CA-O 3.26Å; F556-N574 WeakPolarHBondContact CA-O 3.28Å; F556-N574 HydrophobicContact CD1-CB 3.6Å; F556-N574 HydrophobicContact CE1-CB 3.82Å; F556-N574 VanDerWaalsContact CE1-CG 3.48Å; F556-N574 HydrophobicContact CG-CB 4.43Å; F556-F576 HydrophobicContact CD2-CD2 4.01Å; F556-F576 AromaticContact CD2-CE2 3.33Å; F556-F576 HydrophobicContact CD2-CE2 3.33Å; F556-F576 HydrophobicContact CD2-CZ 4.1Å; F556-F576 HydrophobicContact CE2-CD2 4.45Å; F556-F576 AromaticContact CE2-CE2 3.39Å; F556-F576 HydrophobicContact CE2-CE2 3.39Å; F556-F576 AromaticContact CE2-CZ 3.71Å; F556-F576 HydrophobicContact CE2-CZ 3.71Å; F556-F576 AromaticContact CG-CE2 3.97Å; F556-F576 HydrophobicContact CG-CE2 3.97Å; F556-F576 HydrophobicContact CZ-CE2 4.1Å; F556-F576 HydrophobicContact CZ-CZ 4.34Å
557	T	95.5	Very high	91.7	Very high	27 Å²	27	59.5 Å²	59.5	17%	0.166	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.7	-177.6	-54	0	0	0	0	110.1	Y500 L502 W559 N574 F576	Y500-T557 HydrophobicContact CD2-CG2 4.36Å; Y500-T557 HydrophobicContact CG-CG2 4.26Å; L502-T557 HydrophobicContact CD2-CG2 3.87Å; L502-T557 WeakPolarHBondContact CD2-OG1 3.33Å; T557-W559 HydrophobicContact CG2-CD2 4.32Å; T557-W559 HydrophobicContact CG2-CG 4.42Å; T557-W559 HydrophobicContact CG2-CZ2 4.23Å; T557-N574 PolarHBondContact N-O 2.94Å; T557-F576 PolarHBondContact O-N 3.42Å
558	L	96.3	Very high	91.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	97.9	178.2	-73	79.9	0	0	0	109.3	Y500 L501 L503 V530 Y542 F544 F576 W584	Y500-L558 CarbonylContact C-O 3.57Å; Y500-L558 VanDerWaalsContact CA-O 3.3Å; Y500-L558 WeakPolarHBondContact CA-O 3.43Å; L501-L558 HydrophobicContact CB-CB 4.25Å; L501-L558 HydrophobicContact CD2-CB 4.35Å; L501-L558 HydrophobicContact CD2-CD1 4.44Å; L501-L558 HydrophobicContact CD2-CD2 4.16Å; L501-L558 PolarHBondContact N-O 3.35Å; L501-L558 PolarHBondContact O-N 2.86Å; L503-L558 HydrophobicContact CD1-CD1 3.96Å; L503-L558 HydrophobicContact CG-CD1 3.95Å; V530-L558 HydrophobicContact CB-CD2 4.36Å; V530-L558 HydrophobicContact CG2-CD2 3.79Å; Y542-L558 HydrophobicContact CD1-CD2 3.57Å; Y542-L558 HydrophobicContact CE1-CD2 3.97Å; Y542-L558 HydrophobicContact CG-CD2 4.46Å; F544-L558 HydrophobicContact CE1-CD1 4.16Å; F544-L558 HydrophobicContact CE1-CD2 4.07Å; F544-L558 HydrophobicContact CE1-CG 4.24Å; F544-L558 HydrophobicContact CZ-CD1 4Å; F544-L558 HydrophobicContact CZ-CD2 3.75Å; F544-L558 HydrophobicContact CZ-CG 4.24Å; L558-F576 CarbonylContact C-O 3.33Å; L558-F576 WeakPolarHBondContact CA-O 3.31Å; L558-F576 HydrophobicContact CG-CB 4.42Å; L558-W584 HydrophobicContact CB-CZ2 4.06Å; L558-W584 HydrophobicContact CD2-CZ2 4.14Å; L558-W584 PolarHBondContact O-NE1 2.93Å
559	W	96.5	Very high	90	Very high	20 Å²	20	61 Å²	61	8%	0.076	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.1	176	-63.8	92.9	0	0	0	111.2	E499 Y500 T557 A563 I565 P566 F576 C578	E499-W559 HydrophobicContact CB-CE3 4.34Å; E499-W559 HydrophobicContact CB-CZ3 4.22Å; E499-W559 CarbonylContact O-C 3.56Å; E499-W559 WeakPolarHBondContact O-CA 3.48Å; Y500-W559 HydrophobicContact CD1-CE3 4.14Å; Y500-W559 HydrophobicContact CD1-CH2 4.02Å; Y500-W559 AromaticContact CD1-CZ3 3.68Å; Y500-W559 HydrophobicContact CD1-CZ3 3.68Å; Y500-W559 HydrophobicContact CG-CE3 4.45Å; Y500-W559 HydrophobicContact CG-CZ3 4.35Å; T557-W559 HydrophobicContact CG2-CD2 4.32Å; T557-W559 HydrophobicContact CG2-CG 4.42Å; T557-W559 HydrophobicContact CG2-CZ2 4.23Å; W559-A563 HydrophobicContact CB-CB 4.45Å; W559-A563 HydrophobicContact CE3-CB 3.67Å; W559-A563 HydrophobicContact CZ3-CB 4.36Å; W559-I565 HydrophobicContact CB-CD1 4.37Å; W559-I565 HydrophobicContact CB-CG1 4.38Å; W559-I565 HydrophobicContact CD2-CG1 3.98Å; W559-I565 HydrophobicContact CE3-CG1 4.37Å; W559-I565 HydrophobicContact CG-CD1 4.17Å; W559-I565 HydrophobicContact CG-CG1 3.98Å; W559-P566 HydrophobicContact CH2-CG 4.29Å; W559-F576 PolarHBondContact N-O 3.03Å; W559-C578 WeakPolarHBondContact O-CB 3.35Å; W559-C578 PolarHBondContact O-N 3.41Å
560	S	97	Very high	88.4	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.028	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	157.2	168	59.5	0	0	0	0	110.7	G498 E499 N562 A563 V581	G498-S560 PolarHBondContact O-OG 2.76Å; E499-S560 PolarHBondContact O-N 3.14Å; E499-S560 PolarHBondContact O-OG 3.33Å; S560-N562 PolarHBondContact O-N 2.92Å; S560-A563 WeakPolarHBondContact O-CB 3.45Å; S560-A563 PolarHBondContact O-N 3.04Å; S560-V581 CarbonylContact C-O 3.55Å; S560-V581 WeakPolarHBondContact CA-O 3.13Å; S560-V581 VanDerWaalsContact CB-O 3.31Å; S560-V581 WeakPolarHBondContact CB-O 3.49Å
561	N	95.9	Very high	86.9	Confident	53 Å²	53	68.9 Å²	68.9	28%	0.283	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.7	-175.6	-164.3	12.3	0	0	0	112.3	R577 C578 P579 V581	N561-R577 PolarHBondContact O-NE 3.28Å; N561-R577 PolarHBondContact O-NH2 3.41Å; N561-R577 PolarHBondContact OD1-NH2 2.6Å; N561-C578 PolarHBondContact N-O 2.91Å; N561-P579 PolarHBondContact ND2-O 2.88Å; N561-V581 PolarHBondContact N-O 3.43Å
562	N	93.8	Very high	86	Confident	114 Å²	114	70.6 Å²	70.6	61%	0.61	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.3	-176.5	-63.6	-16.5	0	0	0	114.4	S560 C582	S560-N562 PolarHBondContact O-N 2.92Å; N562-C582 WeakPolarHBondContact CB-O 3.41Å; N562-C582 PolarHBondContact ND2-O 3.36Å; N562-C582 VanDerWaalsContact ND2-O 3.12Å
563	A	91.9	Very high	85.8	Confident	8 Å²	8	78.6 Å²	78.6	7%	0.066	40%	0.398	C	S	.	.			trans	-73.6	142	-174.6	0	0	0	0	0	113.5	E499 W559 S560 I565	E499-A563 HydrophobicContact CB-CB 3.75Å; E499-A563 HydrophobicContact CG-CB 4.06Å; E499-A563 WeakPolarHBondContact O-CB 3.48Å; W559-A563 HydrophobicContact CB-CB 4.45Å; W559-A563 HydrophobicContact CE3-CB 3.67Å; W559-A563 HydrophobicContact CZ3-CB 4.36Å; S560-A563 WeakPolarHBondContact O-CB 3.45Å; S560-A563 PolarHBondContact O-N 3.04Å; A563-I565 PolarHBondContact O-N 3.49Å
564	I	89.5	Confident	85.8	Confident	140 Å²	140	75.5 Å²	75.5	72%	0.718	39%	0.39	S	S	*	.			trans	-87.3	87.6	176.6	-55.1	179.6	0	0	0	108.9	E499 P566	E499-I564 PolarHBondContact OE1-N 2.85Å; I564-P566 WeakPolarHBondContact O-CD 3.3Å
565	I	87.4	Confident	85.9	Confident	62 Å²	62	75.3 Å²	75.3	32%	0.318	39%	0.389	S	S	.	.			trans	-56.6	120.5	177.6	-56.2	179.1	0	0	0	109.3	W559 A563 K567 V569	W559-I565 HydrophobicContact CB-CD1 4.37Å; W559-I565 HydrophobicContact CB-CG1 4.38Å; W559-I565 HydrophobicContact CD2-CG1 3.98Å; W559-I565 HydrophobicContact CE3-CG1 4.37Å; W559-I565 HydrophobicContact CG-CD1 4.17Å; W559-I565 HydrophobicContact CG-CG1 3.98Å; A563-I565 PolarHBondContact O-N 3.49Å; I565-K567 PolarHBondContact O-N 3.33Å; I565-V569 HydrophobicContact CG2-CB 4.11Å; I565-V569 HydrophobicContact CG2-CG1 4.42Å
566	P	84.2	Confident	85.9	Confident	53 Å²	53	74.1 Å²	74.1	34%	0.344	38%	0.38	S	S	.	.			trans	-64	136.6	-178.9	-21.1	31.9	0	0	0	111.2	W559 I564 N568 V569	W559-P566 HydrophobicContact CH2-CG 4.29Å; I564-P566 WeakPolarHBondContact O-CD 3.3Å; P566-N568 PolarHBondContact O-N 2.94Å; P566-V569 HydrophobicContact CB-CG2 4.18Å; P566-V569 HydrophobicContact CG-CG2 4.27Å; P566-V569 WeakPolarHBondContact O-CB 3.47Å; P566-V569 PolarHBondContact O-N 2.9Å
567	K	80.1	Confident	85.9	Confident	195 Å²	195	80.7 Å²	80.7	85%	0.848	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25	-174.8	-66.8	-175	177.8	-178	0	115	I565 V569	I565-K567 PolarHBondContact O-N 3.33Å; K567-V569 VanDerWaalsContact C-N 3.34Å
568	N	76.3	Confident	85.9	Confident	144 Å²	144	79.4 Å²	79.4	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.1	-179.3	-57.1	12	0	0	0	112.7	P566 H570	P566-N568 PolarHBondContact O-N 2.94Å; N568-H570 PolarHBondContact O-N 2.72Å
569	V	70.5	Confident	85.8	Confident	56 Å²	56	82.9 Å²	82.9	34%	0.339	42%	0.419	S	S	.	.	S	Bend	trans	-79.8	75.1	171.3	-174.2	0	0	0	0	107.8	I565 P566 K567 V575	I565-V569 HydrophobicContact CG2-CB 4.11Å; I565-V569 HydrophobicContact CG2-CG1 4.42Å; P566-V569 HydrophobicContact CB-CG2 4.18Å; P566-V569 HydrophobicContact CG-CG2 4.27Å; P566-V569 WeakPolarHBondContact O-CB 3.47Å; P566-V569 PolarHBondContact O-N 2.9Å; K567-V569 VanDerWaalsContact C-N 3.34Å; V569-V575 HydrophobicContact CG1-CG1 4.3Å; V569-V575 HydrophobicContact CG1-CG2 3.97Å
570	H	58.7	Low	85.7	Confident	145 Å²	145	88.1 Å²	88.1	67%	0.671	45%	0.448	S	S	*	.			trans	-60.5	158.6	173.1	-68.1	-65.7	0	0	0	111.2	N568 T572	N568-H570 PolarHBondContact O-N 2.72Å; H570-T572 PolarHBondContact O-N 2.66Å
571	N	60.6	Low	85.7	Confident	161 Å²	161	87.9 Å²	87.9	86%	0.861	45%	0.447	S	S	*	.			trans	-72.1	64.8	-164.8	-159.3	31.9	0	0	0	113.5
572	T	73.2	Confident	85.7	Confident	79 Å²	79	89 Å²	89	49%	0.485	46%	0.458	S	S	.	.			trans	-74.5	149.8	176.5	56.8	0	0	0	0	110.5	H570 N574 V575	H570-T572 PolarHBondContact O-N 2.66Å; T572-N574 PolarHBondContact O-N 3.37Å; T572-V575 PolarHBondContact O-N 3.4Å; T572-V575 VanDerWaalsContact O-N 3.12Å; T572-V575 WeakPolarHBondContact OG1-CG2 3.45Å
573	K	84.5	Confident	85.8	Confident	192 Å²	192	87.6 Å²	87.6	84%	0.835	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-4.1	-176	-63.9	-173.1	176.6	-174.3	0	115.4	F576	K573-F576 WeakPolarHBondContact O-CZ 3.5Å
574	N	90.2	Very high	86	Confident	49 Å²	49	87.2 Å²	87.2	26%	0.262	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.3	-175.1	-62.8	28.4	0	0	0	112.7	V555 F556 T557 T572 F576	V555-N574 WeakPolarHBondContact O-CB 3.41Å; V555-N574 PolarHBondContact O-ND2 3.15Å; F556-N574 CarbonylContact C-O 3.59Å; F556-N574 VanDerWaalsContact CA-O 3.26Å; F556-N574 WeakPolarHBondContact CA-O 3.28Å; F556-N574 HydrophobicContact CD1-CB 3.6Å; F556-N574 HydrophobicContact CE1-CB 3.82Å; F556-N574 VanDerWaalsContact CE1-CG 3.48Å; F556-N574 HydrophobicContact CG-CB 4.43Å; T557-N574 PolarHBondContact N-O 2.94Å; T572-N574 PolarHBondContact O-N 3.37Å; N574-F576 VanDerWaalsContact C-CE2 3.48Å
575	V	93	Very high	86.2	Confident	31 Å²	31	83.9 Å²	83.9	19%	0.188	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	-173.2	178.2	0	0	0	0	109.9	V569 T572	V569-V575 HydrophobicContact CG1-CG1 4.3Å; V569-V575 HydrophobicContact CG1-CG2 3.97Å; T572-V575 PolarHBondContact O-N 3.4Å; T572-V575 VanDerWaalsContact O-N 3.12Å; T572-V575 WeakPolarHBondContact OG1-CG2 3.45Å
576	F	94.4	Very high	86.3	Confident	23 Å²	23	83.2 Å²	83.2	10%	0.101	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.3	-176.5	-61.6	-89.5	0	0	0	109.4	Y542 F544 V548 F556 T557 L558 W559 K573 N574	Y542-F576 HydrophobicContact CE1-CB 4.47Å; F544-F576 HydrophobicContact CD1-CD1 4.33Å; F544-F576 HydrophobicContact CD1-CE1 4.47Å; F544-F576 HydrophobicContact CD1-CG 4.47Å; F544-F576 HydrophobicContact CE1-CD2 4.31Å; F544-F576 HydrophobicContact CE1-CG 4.34Å; V548-F576 HydrophobicContact CG1-CE1 3.78Å; V548-F576 HydrophobicContact CG1-CE2 4.42Å; V548-F576 HydrophobicContact CG1-CZ 3.42Å; V548-F576 VanDerWaalsContact CG1-CZ 3.42Å; V548-F576 HydrophobicContact CG2-CE1 4.11Å; F556-F576 HydrophobicContact CD2-CD2 4.01Å; F556-F576 AromaticContact CD2-CE2 3.33Å; F556-F576 HydrophobicContact CD2-CE2 3.33Å; F556-F576 HydrophobicContact CD2-CZ 4.1Å; F556-F576 HydrophobicContact CE2-CD2 4.45Å; F556-F576 AromaticContact CE2-CE2 3.39Å; F556-F576 HydrophobicContact CE2-CE2 3.39Å; F556-F576 AromaticContact CE2-CZ 3.71Å; F556-F576 HydrophobicContact CE2-CZ 3.71Å; F556-F576 AromaticContact CG-CE2 3.97Å; F556-F576 HydrophobicContact CG-CE2 3.97Å; F556-F576 HydrophobicContact CZ-CE2 4.1Å; F556-F576 HydrophobicContact CZ-CZ 4.34Å; T557-F576 PolarHBondContact O-N 3.42Å; L558-F576 CarbonylContact C-O 3.33Å; L558-F576 WeakPolarHBondContact CA-O 3.31Å; L558-F576 HydrophobicContact CG-CB 4.42Å; W559-F576 PolarHBondContact N-O 3.03Å; K573-F576 WeakPolarHBondContact O-CZ 3.5Å; N574-F576 VanDerWaalsContact C-CE2 3.48Å
577	R	94.4	Very high	86.5	Confident	138 Å²	138	81.2 Å²	81.2	52%	0.521	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.4	169	-168.2	177.3	-179.4	-163.6	-0.8	108.2	N561 P579	N561-R577 PolarHBondContact O-NE 3.28Å; N561-R577 PolarHBondContact O-NH2 3.41Å; N561-R577 PolarHBondContact OD1-NH2 2.6Å; R577-P579 WeakPolarHBondContact O-CD 3.48Å
578	C	96	Very high	86.8	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	94.2	-173.7	-59.7	0	0	0	0	109.3	Y542 W559 N561 N580 V581	Y542-C578 HydrophobicContact CD2-CB 3.61Å; Y542-C578 WeakPolarHBondContact CD2-SG 3.46Å; Y542-C578 HydrophobicContact CE2-CB 4.07Å; Y542-C578 HydrophobicContact CG-CB 4Å; W559-C578 WeakPolarHBondContact O-CB 3.35Å; W559-C578 PolarHBondContact O-N 3.41Å; N561-C578 PolarHBondContact N-O 2.91Å; C578-N580 PolarHBondContact O-N 2.85Å; C578-V581 HydrophobicContact CB-CB 3.75Å; C578-V581 HydrophobicContact CB-CG2 3.87Å; C578-V581 PolarHBondContact O-N 2.83Å; C578-V581 VanDerWaalsContact O-N 3.1Å
579	P	94.1	Very high	87.6	Confident	74 Å²	74	73 Å²	73	48%	0.481	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32	-171.8	25.4	-35.2	0	0	0	112.8	N561 R577 V581	N561-P579 PolarHBondContact ND2-O 2.88Å; R577-P579 WeakPolarHBondContact O-CD 3.48Å; P579-V581 VanDerWaalsContact C-N 3.31Å; P579-V581 PolarHBondContact O-N 3.2Å
580	N	94.4	Very high	88.7	Confident	129 Å²	129	72.9 Å²	72.9	69%	0.69	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.6	-178	-57.5	-4.2	0	0	0	113.3	C578	C578-N580 PolarHBondContact O-N 2.85Å
581	V	96.4	Very high	90.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.355	C	S	.	.			trans	-114.5	97.9	-176.7	174.5	0	0	0	0	108.6	N540 S560 N561 C578 P579 K583 W584	N540-V581 HydrophobicContact CB-CG1 4.35Å; N540-V581 HydrophobicContact CB-CG2 4.09Å; S560-V581 CarbonylContact C-O 3.55Å; S560-V581 WeakPolarHBondContact CA-O 3.13Å; S560-V581 VanDerWaalsContact CB-O 3.31Å; S560-V581 WeakPolarHBondContact CB-O 3.49Å; N561-V581 PolarHBondContact N-O 3.43Å; C578-V581 HydrophobicContact CB-CB 3.75Å; C578-V581 HydrophobicContact CB-CG2 3.87Å; C578-V581 PolarHBondContact O-N 2.83Å; C578-V581 VanDerWaalsContact O-N 3.1Å; P579-V581 VanDerWaalsContact C-N 3.31Å; P579-V581 PolarHBondContact O-N 3.2Å; V581-K583 VanDerWaalsContact C-N 3.3Å; V581-K583 PolarHBondContact O-N 3.47Å; V581-W584 HydrophobicContact CG1-CD2 3.83Å; V581-W584 HydrophobicContact CG1-CE3 4.16Å; V581-W584 HydrophobicContact CG1-CG 4.26Å; V581-W584 HydrophobicContact CG1-CH2 4.38Å; V581-W584 HydrophobicContact CG1-CZ2 4.08Å; V581-W584 HydrophobicContact CG1-CZ3 4.42Å; V581-W584 HydrophobicContact CG2-CH2 4.22Å; V581-W584 HydrophobicContact CG2-CZ2 4.32Å
582	C	95.5	Very high	92.2	Very high	77 Å²	77	61 Å²	61	52%	0.52	31%	0.314	S	S	.	.	S	Bend	trans	-64.5	-34.7	-179.5	-66.9	0	0	0	0	112.7	N562	N562-C582 WeakPolarHBondContact CB-O 3.41Å; N562-C582 PolarHBondContact ND2-O 3.36Å; N562-C582 VanDerWaalsContact ND2-O 3.12Å
583	K	96	Very high	93.2	Very high	84 Å²	84	57.9 Å²	57.9	37%	0.365	30%	0.295	S	S	.	.			trans	-162.2	139	179.2	175.3	165.9	167.3	146.1	0	109.7	N497 N540 V581 F585	N497-K583 WeakPolarHBondContact O-CE 3.16Å; N497-K583 PolarHBondContact O-NZ 3.38Å; N540-K583 PolarHBondContact ND2-O 3Å; V581-K583 VanDerWaalsContact C-N 3.3Å; V581-K583 PolarHBondContact O-N 3.47Å; K583-F585 WeakPolarHBondContact O-CD2 3.48Å; K583-F585 WeakPolarHBondContact O-CE2 3.43Å
584	W	96.3	Very high	93.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.			trans	-79	124.3	165.6	-65	109.7	0	0	0	109.4	I494 G498 L501 V530 N540 L558 V581 T592	I494-W584 HydrophobicContact CG2-CB 3.79Å; G498-W584 WeakPolarHBondContact CA-O 3.44Å; G498-W584 PolarHBondContact O-N 2.78Å; L501-W584 HydrophobicContact CB-CD2 4.02Å; L501-W584 HydrophobicContact CB-CG 4.16Å; L501-W584 HydrophobicContact CB-CZ2 4.28Å; L501-W584 HydrophobicContact CD2-CH2 4.06Å; L501-W584 HydrophobicContact CD2-CZ2 3.99Å; L501-W584 HydrophobicContact CD2-CZ3 4.4Å; V530-W584 HydrophobicContact CB-CH2 4.16Å; V530-W584 HydrophobicContact CG1-CH2 3.68Å; V530-W584 HydrophobicContact CG1-CZ3 3.95Å; N540-W584 HydrophobicContact CB-CZ3 4.32Å; L558-W584 HydrophobicContact CB-CZ2 4.06Å; L558-W584 HydrophobicContact CD2-CZ2 4.14Å; L558-W584 PolarHBondContact O-NE1 2.93Å; V581-W584 HydrophobicContact CG1-CD2 3.83Å; V581-W584 HydrophobicContact CG1-CE3 4.16Å; V581-W584 HydrophobicContact CG1-CG 4.26Å; V581-W584 HydrophobicContact CG1-CH2 4.38Å; V581-W584 HydrophobicContact CG1-CZ2 4.08Å; V581-W584 HydrophobicContact CG1-CZ3 4.42Å; V581-W584 HydrophobicContact CG2-CH2 4.22Å; V581-W584 HydrophobicContact CG2-CZ2 4.32Å; W584-T592 HydrophobicContact CZ3-CG2 4.3Å
585	F	94.8	Very high	94	Very high	69 Å²	69	46.4 Å²	46.4	30%	0.303	24%	0.242	S	C	.	.			trans	-83.5	141.6	-177.8	-67.7	-94.6	0	0	0	111.4	Q532 I539 K583 Y590	Q532-F585 PolarHBondContact NE2-O 3.5Å; I539-F585 HydrophobicContact CD1-CB 4.3Å; I539-F585 HydrophobicContact CD1-CD2 3.41Å; I539-F585 VanDerWaalsContact CD1-CD2 3.41Å; I539-F585 HydrophobicContact CD1-CE2 3.92Å; I539-F585 HydrophobicContact CD1-CG 3.97Å; I539-F585 HydrophobicContact CG1-CD2 4.35Å; K583-F585 WeakPolarHBondContact O-CD2 3.48Å; K583-F585 WeakPolarHBondContact O-CE2 3.43Å; F585-Y590 HydrophobicContact CB-CD1 3.46Å; F585-Y590 VanDerWaalsContact CB-CD1 3.46Å; F585-Y590 HydrophobicContact CB-CD2 3.84Å; F585-Y590 HydrophobicContact CB-CE1 3.5Å; F585-Y590 VanDerWaalsContact CB-CE1 3.5Å; F585-Y590 HydrophobicContact CB-CE2 3.9Å; F585-Y590 HydrophobicContact CB-CG 3.63Å; F585-Y590 AromaticContact CD1-CE1 3.9Å; F585-Y590 HydrophobicContact CD1-CE1 3.9Å; F585-Y590 HydrophobicContact CD1-CE2 4.34Å; F585-Y590 AromaticContact CD1-CZ 3.69Å; F585-Y590 HydrophobicContact CD2-CE1 4.35Å; F585-Y590 HydrophobicContact CG-CD1 4.09Å; F585-Y590 AromaticContact CG-CE1 3.66Å; F585-Y590 HydrophobicContact CG-CE1 3.66Å; F585-Y590 HydrophobicContact CG-CE2 4.48Å; F585-Y590 AromaticContact CG-CZ 3.89Å
586	N	89.4	Confident	94.1	Very high	48 Å²	48	46 Å²	46	26%	0.257	24%	0.239	S	C	.	.			trans	-124.1	123.6	177.4	-169.3	-27.3	0	0	0	108.5	I494 P607	I494-N586 HydrophobicContact CG2-CB 4.15Å; I494-N586 PolarHBondContact O-ND2 2.82Å; N586-P607 WeakPolarHBondContact OD1-CB 3.27Å
587	G	87.4	Confident	93.9	Very high	12 Å²	12	48.6 Å²	48.6	12%	0.124	26%	0.26	C	S	.	.	S	Bend	trans	155.8	165.3	-178.5	0	0	0	0	0	112.8	N589 Y590 P607	G587-N589 VanDerWaalsContact C-N 3.29Å; G587-N589 PolarHBondContact O-N 3.28Å; G587-Y590 PolarHBondContact O-N 2.93Å; G587-Y590 VanDerWaalsContact O-N 3.1Å; G587-P607 CarbonylContact C-O 3.52Å
588	P	87.7	Confident	93.8	Very high	76 Å²	76	48.8 Å²	48.8	49%	0.494	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.5	-167.2	27.3	-36.4	0	0	0	114.8	Y590	P588-Y590 VanDerWaalsContact C-N 3.3Å
589	N	92	Very high	93.6	Very high	91 Å²	91	52.6 Å²	52.6	49%	0.487	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7	178.7	-60.5	0.6	0	0	0	113	H534 I535 G587	H534-N589 WeakPolarHBondContact CA-O 3.39Å; H534-N589 WeakPolarHBondContact NE2-CB 3.45Å; I535-N589 PolarHBondContact N-O 3.09Å; I535-N589 VanDerWaalsContact N-O 3.1Å; G587-N589 VanDerWaalsContact C-N 3.29Å; G587-N589 PolarHBondContact O-N 3.28Å
590	Y	94.3	Very high	93.5	Very high	53 Å²	53	54.6 Å²	54.6	21%	0.208	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.2	-177.8	-59.8	-78.4	0	0	0	110.3	K533 H534 I539 F585 G587 P588 P607	K533-Y590 WeakPolarHBondContact O-CA 3.42Å; H534-Y590 HydrophobicContact CB-CD1 3.89Å; H534-Y590 HydrophobicContact CB-CE1 3.77Å; H534-Y590 AromaticContact CD2-CD1 3.86Å; H534-Y590 AromaticContact CD2-CE1 3.49Å; H534-Y590 VanDerWaalsContact CD2-CE1 3.49Å; H534-Y590 WeakPolarHBondContact CD2-CE1 3.31Å; H534-Y590 AromaticContact CD2-CZ 3.71Å; H534-Y590 AromaticContact CG-CE1 3.85Å; I539-Y590 HydrophobicContact CD1-CD1 3.5Å; I539-Y590 VanDerWaalsContact CD1-CD1 3.5Å; I539-Y590 HydrophobicContact CD1-CE1 3.47Å; I539-Y590 VanDerWaalsContact CD1-CE1 3.47Å; F585-Y590 HydrophobicContact CB-CD1 3.46Å; F585-Y590 VanDerWaalsContact CB-CD1 3.46Å; F585-Y590 HydrophobicContact CB-CD2 3.84Å; F585-Y590 HydrophobicContact CB-CE1 3.5Å; F585-Y590 VanDerWaalsContact CB-CE1 3.5Å; F585-Y590 HydrophobicContact CB-CE2 3.9Å; F585-Y590 HydrophobicContact CB-CG 3.63Å; F585-Y590 AromaticContact CD1-CE1 3.9Å; F585-Y590 HydrophobicContact CD1-CE1 3.9Å; F585-Y590 HydrophobicContact CD1-CE2 4.34Å; F585-Y590 AromaticContact CD1-CZ 3.69Å; F585-Y590 HydrophobicContact CD2-CE1 4.35Å; F585-Y590 HydrophobicContact CG-CD1 4.09Å; F585-Y590 AromaticContact CG-CE1 3.66Å; F585-Y590 HydrophobicContact CG-CE1 3.66Å; F585-Y590 HydrophobicContact CG-CE2 4.48Å; F585-Y590 AromaticContact CG-CZ 3.89Å; G587-Y590 PolarHBondContact O-N 2.93Å; G587-Y590 VanDerWaalsContact O-N 3.1Å; P588-Y590 VanDerWaalsContact C-N 3.3Å; Y590-P607 WeakPolarHBondContact O-CD 3.48Å
591	I	94.8	Very high	93.5	Very high	55 Å²	55	51.5 Å²	51.5	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.7	172.8	-48	179.6	0	0	0	106.9	Q532 K533 M593 W604 T606	Q532-I591 CarbonylContact C-O 3.55Å; Q532-I591 WeakPolarHBondContact CA-O 3.36Å; K533-I591 PolarHBondContact N-O 3.38Å; K533-I591 PolarHBondContact O-N 2.91Å; I591-M593 HydrophobicContact CB-CE 3.85Å; I591-M593 HydrophobicContact CG2-CE 3.75Å; I591-M593 HydrophobicContact CG2-CG 4.24Å; I591-M593 HydrophobicContact CG2-SD 4.11Å; I591-M593 WeakPolarHBondContact O-CE 3.1Å; I591-W604 HydrophobicContact CG2-CB 4.25Å; I591-T606 HydrophobicContact CG1-CG2 4.3Å
592	T	96.7	Very high	93.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.4	170.3	-55.9	0	0	0	0	108.9	I491 I494 L501 V530 W531 Q532 W584 W604 L605	I491-T592 HydrophobicContact CD1-CG2 4.11Å; I491-T592 VanDerWaalsContact CD1-O 3.27Å; I491-T592 WeakPolarHBondContact CD1-O 3.29Å; I494-T592 WeakPolarHBondContact CD1-OG1 3.19Å; L501-T592 HydrophobicContact CD1-CG2 3.98Å; L501-T592 HydrophobicContact CD2-CG2 4.47Å; V530-T592 HydrophobicContact CG1-CG2 3.77Å; W531-T592 WeakPolarHBondContact O-CA 3.48Å; Q532-T592 WeakPolarHBondContact CG-OG1 3.47Å; Q532-T592 PolarHBondContact NE2-OG1 3.06Å; W584-T592 HydrophobicContact CZ3-CG2 4.3Å; T592-W604 CarbonylContact O-C 3.55Å; T592-W604 VanDerWaalsContact O-CA 3.23Å; T592-W604 WeakPolarHBondContact O-CA 3.45Å; T592-L605 PolarHBondContact N-O 2.95Å; T592-L605 PolarHBondContact O-N 2.74Å
593	M	96	Very high	93.2	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149	-178	-76.9	146	-70.2	0	0	110.7	V530 W531 K533 I591 I601 A603 W604	V530-M593 WeakPolarHBondContact CA-O 3.21Å; W531-M593 HydrophobicContact CD2-CB 4.23Å; W531-M593 HydrophobicContact CE3-CB 4.45Å; W531-M593 HydrophobicContact CE3-CE 3.64Å; W531-M593 HydrophobicContact CE3-SD 4.29Å; W531-M593 HydrophobicContact CH2-CB 4.27Å; W531-M593 HydrophobicContact CH2-CE 3.82Å; W531-M593 HydrophobicContact CH2-CG 4.41Å; W531-M593 HydrophobicContact CH2-SD 3.39Å; W531-M593 WeakPolarHBondContact CH2-SD 3.36Å; W531-M593 HydrophobicContact CZ2-CB 4.03Å; W531-M593 HydrophobicContact CZ2-SD 4.07Å; W531-M593 HydrophobicContact CZ3-CB 4.46Å; W531-M593 HydrophobicContact CZ3-CE 3.23Å; W531-M593 HydrophobicContact CZ3-SD 3.51Å; W531-M593 VanDerWaalsContact CZ3-SD 3.51Å; W531-M593 PolarHBondContact N-O 3.38Å; W531-M593 PolarHBondContact O-N 3.27Å; K533-M593 HydrophobicContact CB-CE 4.23Å; K533-M593 HydrophobicContact CG-CE 4.37Å; I591-M593 HydrophobicContact CB-CE 3.85Å; I591-M593 HydrophobicContact CG2-CE 3.75Å; I591-M593 HydrophobicContact CG2-CG 4.24Å; I591-M593 HydrophobicContact CG2-SD 4.11Å; I591-M593 WeakPolarHBondContact O-CE 3.1Å; M593-I601 HydrophobicContact CB-CG2 4.33Å; M593-I601 HydrophobicContact CG-CD1 4.32Å; M593-I601 HydrophobicContact CG-CG2 4Å; M593-I601 HydrophobicContact SD-CD1 3.88Å; M593-A603 CarbonylContact C-O 3.54Å; M593-A603 VanDerWaalsContact CA-O 3.27Å; M593-A603 WeakPolarHBondContact CA-O 3.37Å; M593-W604 HydrophobicContact CG-CB 3.58Å
594	V	96.1	Very high	93.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	161.7	-173.6	0	0	0	0	107.2	L489 I491 L503 K529 V530 L602 A603	L489-V594 HydrophobicContact CD1-CG1 4.2Å; I491-V594 HydrophobicContact CD1-CG2 4.17Å; I491-V594 HydrophobicContact CG1-CG2 4Å; L503-V594 HydrophobicContact CD1-CG2 4.37Å; L503-V594 HydrophobicContact CD2-CG2 3.79Å; K529-V594 WeakPolarHBondContact O-CA 3.49Å; V530-V594 HydrophobicContact CG2-CG2 4.33Å; V594-L602 PolarHBondContact O-N 2.78Å; V594-A603 HydrophobicContact CB-CB 4.27Å; V594-A603 HydrophobicContact CG2-CB 4.23Å; V594-A603 PolarHBondContact N-O 3.26Å; V594-A603 PolarHBondContact O-N 2.82Å
595	S	95.2	Very high	93	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.8	170.7	65.1	0	0	0	0	112.3	Y528 K529 W531 D599 E600	Y528-S595 CarbonylContact C-O 3.55Å; Y528-S595 VanDerWaalsContact CA-O 3.26Å; Y528-S595 WeakPolarHBondContact CA-O 3.28Å; Y528-S595 WeakPolarHBondContact CB-O 3.37Å; K529-S595 WeakPolarHBondContact CE-OG 3.41Å; K529-S595 PolarHBondContact N-O 3.33Å; K529-S595 PolarHBondContact O-N 3.03Å; W531-S595 PolarHBondContact NE1-OG 2.94Å; S595-D599 PolarHBondContact OG-OD1 2.81Å; S595-E600 WeakPolarHBondContact CA-O 3.47Å; S595-E600 WeakPolarHBondContact CB-O 3.2Å
596	N	93.7	Very high	92.8	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-174.9	171	67.3	7.7	0	0	0	112.2	L527 Y528 H598 D599 E600 L602	L527-N596 CarbonylContact O-C 3.56Å; Y528-N596 HydrophobicContact CD1-CB 3.76Å; Y528-N596 HydrophobicContact CE1-CB 3.89Å; N596-H598 PolarHBondContact O-N 3.25Å; N596-H598 VanDerWaalsContact O-N 3.13Å; N596-H598 WeakPolarHBondContact OD1-CA 3.43Å; N596-H598 WeakPolarHBondContact OD1-CB 3.39Å; N596-H598 PolarHBondContact OD1-N 3.08Å; N596-D599 PolarHBondContact O-N 3.34Å; N596-D599 PolarHBondContact OD1-N 2.8Å; N596-E600 PolarHBondContact N-O 2.98Å; N596-E600 PolarHBondContact ND2-OE2 2.75Å; N596-E600 WeakPolarHBondContact OD1-CB 3.41Å; N596-E600 PolarHBondContact OD1-N 2.81Å; N596-L602 HydrophobicContact CB-CD1 4.12Å
597	S	90.6	Very high	92	Very high	78 Å²	78	46.4 Å²	46.4	55%	0.545	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.9	172.2	56.3	0	0	0	0	115.5	L527	L527-S597 PolarHBondContact O-N 3.31Å
598	H	92.3	Very high	91	Very high	143 Å²	143	47.6 Å²	47.6	66%	0.662	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	8.7	178.9	-48.7	117.3	0	0	0	113	N596 E600	N596-H598 PolarHBondContact O-N 3.25Å; N596-H598 VanDerWaalsContact O-N 3.13Å; N596-H598 WeakPolarHBondContact OD1-CA 3.43Å; N596-H598 WeakPolarHBondContact OD1-CB 3.39Å; N596-H598 PolarHBondContact OD1-N 3.08Å; H598-E600 HydrophobicContact CB-CG 4.17Å; H598-E600 IonicContact ND1-OE2 3.87Å; H598-E600 PolarHBondContact O-N 3.22Å
599	D	91	Very high	89.2	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	26%	0.257	S	S	.	.			trans	61.4	15.2	-173.6	-88.1	-55.2	0	0	0	116.1	K529 S595 N596 I601	K529-D599 WeakPolarHBondContact CE-OD1 3.47Å; K529-D599 IonicContact NZ-OD1 2.74Å; K529-D599 PolarHBondContact NZ-OD1 3.09Å; K529-D599 IonicContact NZ-OD2 2.94Å; K529-D599 PolarHBondContact NZ-OD2 3.36Å; S595-D599 PolarHBondContact OG-OD1 2.81Å; N596-D599 PolarHBondContact O-N 3.34Å; N596-D599 PolarHBondContact OD1-N 2.8Å; D599-I601 PolarHBondContact O-N 3.26Å
600	E	92.9	Very high	87	Confident	116 Å²	116	53.3 Å²	53.3	54%	0.542	27%	0.271	S	S	.	.			trans	-68.5	125.8	170.8	-59	175.2	122.4	0	0	110	S595 N596 H598	S595-E600 WeakPolarHBondContact CA-O 3.47Å; S595-E600 WeakPolarHBondContact CB-O 3.2Å; N596-E600 PolarHBondContact N-O 2.98Å; N596-E600 PolarHBondContact ND2-OE2 2.75Å; N596-E600 WeakPolarHBondContact OD1-CB 3.41Å; N596-E600 PolarHBondContact OD1-N 2.81Å; H598-E600 HydrophobicContact CB-CG 4.17Å; H598-E600 IonicContact ND1-OE2 3.87Å; H598-E600 PolarHBondContact O-N 3.22Å
601	I	93.6	Very high	84.6	Confident	64 Å²	64	52.9 Å²	52.9	33%	0.328	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127	-176.7	-59.7	170	0	0	0	110.2	W531 M593 D599 W604	W531-I601 HydrophobicContact CH2-CD1 4.28Å; W531-I601 HydrophobicContact CZ2-CD1 4.37Å; W531-I601 HydrophobicContact CZ2-CG1 4.18Å; M593-I601 HydrophobicContact CB-CG2 4.33Å; M593-I601 HydrophobicContact CG-CD1 4.32Å; M593-I601 HydrophobicContact CG-CG2 4Å; M593-I601 HydrophobicContact SD-CD1 3.88Å; D599-I601 PolarHBondContact O-N 3.26Å; I601-W604 HydrophobicContact CG2-CB 4.46Å; I601-W604 HydrophobicContact CG2-CE3 3.8Å; I601-W604 HydrophobicContact CG2-CZ3 4.45Å
602	L	93	Very high	82.1	Confident	35 Å²	35	57.5 Å²	57.5	18%	0.183	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-25.6	-174.7	-60.9	164.8	0	0	0	113	A485 I486 Y528 V594 N596	A485-L602 CarbonylContact C-O 3.54Å; A485-L602 WeakPolarHBondContact CA-O 3.39Å; I486-L602 CarbonylContact C-O 3.6Å; I486-L602 PolarHBondContact N-O 2.85Å; Y528-L602 HydrophobicContact CD1-CD1 3.35Å; Y528-L602 HydrophobicContact CE1-CD1 3.21Å; V594-L602 PolarHBondContact O-N 2.78Å; N596-L602 HydrophobicContact CB-CD1 4.12Å
603	A	94.1	Very high	79.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.1	169.8	0	0	0	0	0	109.4	N484 I491 M593 V594	N484-A603 CarbonylContact O-C 3.59Å; N484-A603 VanDerWaalsContact O-CA 3.29Å; N484-A603 WeakPolarHBondContact O-CA 3.27Å; I491-A603 HydrophobicContact CD1-CB 4.45Å; I491-A603 HydrophobicContact CG1-CB 4.12Å; M593-A603 CarbonylContact C-O 3.54Å; M593-A603 VanDerWaalsContact CA-O 3.27Å; M593-A603 WeakPolarHBondContact CA-O 3.37Å; V594-A603 HydrophobicContact CB-CB 4.27Å; V594-A603 HydrophobicContact CG2-CB 4.23Å; V594-A603 PolarHBondContact N-O 3.26Å; V594-A603 PolarHBondContact O-N 2.82Å
604	W	94.8	Very high	77.1	Confident	77 Å²	77	63.4 Å²	63.4	29%	0.292	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.5	166.3	69	100.9	0	0	0	112.3	N484 I486 I591 T592 M593 I601	N484-W604 HydrophobicContact CB-CD2 3.76Å; N484-W604 VanDerWaalsContact CB-CE2 3.48Å; N484-W604 HydrophobicContact CB-CE3 4Å; N484-W604 HydrophobicContact CB-CG 4.46Å; N484-W604 HydrophobicContact CB-CH2 3.79Å; N484-W604 HydrophobicContact CB-CZ2 3.52Å; N484-W604 HydrophobicContact CB-CZ3 4.02Å; N484-W604 PolarHBondContact N-O 3.23Å; N484-W604 WeakPolarHBondContact ND2-CZ2 3.32Å; N484-W604 PolarHBondContact O-N 2.73Å; I486-W604 HydrophobicContact CD1-CH2 4.19Å; I486-W604 HydrophobicContact CD1-CZ3 3.76Å; I486-W604 HydrophobicContact CG1-CH2 4.47Å; I486-W604 HydrophobicContact CG1-CZ3 3.96Å; I591-W604 HydrophobicContact CG2-CB 4.25Å; T592-W604 CarbonylContact O-C 3.55Å; T592-W604 VanDerWaalsContact O-CA 3.23Å; T592-W604 WeakPolarHBondContact O-CA 3.45Å; M593-W604 HydrophobicContact CG-CB 3.58Å; I601-W604 HydrophobicContact CG2-CB 4.46Å; I601-W604 HydrophobicContact CG2-CE3 3.8Å; I601-W604 HydrophobicContact CG2-CZ3 4.45Å
605	L	93.1	Very high	74.8	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.5	172.5	176.4	63.1	0	0	0	108.3	I491 I494 T592 P607	I491-L605 HydrophobicContact CB-CB 3.95Å; I491-L605 HydrophobicContact CD1-CB 4.16Å; I491-L605 HydrophobicContact CG2-CB 3.82Å; I491-L605 HydrophobicContact CG2-CD2 3.7Å; I491-L605 HydrophobicContact CG2-CG 4.42Å; I494-L605 HydrophobicContact CD1-CD2 4.18Å; I494-L605 HydrophobicContact CG1-CD2 4.21Å; T592-L605 PolarHBondContact N-O 2.95Å; T592-L605 PolarHBondContact O-N 2.74Å; L605-P607 HydrophobicContact CG-CG 4.35Å; L605-P607 WeakPolarHBondContact O-CD 3.19Å
606	T	89.8	Confident	72.3	Confident	49 Å²	49	77 Å²	77	30%	0.301	40%	0.397	S	S	.	.			trans	-98.9	106.1	163.9	-53.4	0	0	0	0	107.4	I591 S608	I591-T606 HydrophobicContact CG1-CG2 4.3Å; T606-S608 PolarHBondContact O-N 2.98Å
607	P	73.6	Confident	70.1	Confident	2 Å²	2	81.8 Å²	81.8	1%	0.013	42%	0.419	C	S	.	.			trans	-68.5	108	-176.2	-20.6	35.1	0	0	0	111.1	I494 N586 G587 Y590 L605	I494-P607 HydrophobicContact CD1-CG 3.83Å; N586-P607 WeakPolarHBondContact OD1-CB 3.27Å; G587-P607 CarbonylContact C-O 3.52Å; Y590-P607 WeakPolarHBondContact O-CD 3.48Å; L605-P607 HydrophobicContact CG-CG 4.35Å; L605-P607 WeakPolarHBondContact O-CD 3.19Å
608	S	66.2	Low	68.1	Low	37 Å²	37	81.3 Å²	81.3	26%	0.259	41%	0.405	S	S	.	.			trans	-68.8	153.7	164.1	-159.1	0	0	0	0	109.3	S481 T606 R610 C611	S481-S608 WeakPolarHBondContact OG-CB 3.37Å; S481-S608 PolarHBondContact OG-N 3.17Å; T606-S608 PolarHBondContact O-N 2.98Å; S608-R610 PolarHBondContact O-N 3.22Å; S608-C611 PolarHBondContact O-N 2.88Å
609	A	50.4	Low	65.9	Low	77 Å²	77	80.2 Å²	80.2	64%	0.636	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	23.4	179.1	0	0	0	0	0	114.7
610	R	45.2	Very low	63.6	Low	210 Å²	210	82.2 Å²	82.2	79%	0.792	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	17.5	178.1	-66.6	-168	178.4	-162.8	0.2	113.4	S608 F612	S608-R610 PolarHBondContact O-N 3.22Å; R610-F612 PolarHBondContact O-N 2.9Å
611	C	43.9	Very low	61.2	Low	44 Å²	44	80.1 Å²	80.1	30%	0.297	41%	0.409	S	S	.	.			trans	-72.6	66.4	167.8	-72.2	0	0	0	0	111.2	S481 S608	S481-C611 PolarHBondContact OG-SG 3.34Å; S608-C611 PolarHBondContact O-N 2.88Å
612	F	41.6	Very low	59	Low	152 Å²	152	81 Å²	81	67%	0.667	41%	0.414	S	S	*	.			trans	-134	95.9	176.6	-65.5	-76.3	0	0	0	109.6	P496 R610	P496-F612 HydrophobicContact CB-CE1 3.96Å; P496-F612 HydrophobicContact CG-CD1 4.17Å; P496-F612 HydrophobicContact CG-CE1 3.67Å; R610-F612 PolarHBondContact O-N 2.9Å
613	T	44.8	Very low	56.7	Low	90 Å²	90	85.3 Å²	85.3	55%	0.552	43%	0.433	S	S	*	.			trans	-106.5	137.3	156.7	48.6	0	0	0	0	107.5
614	S	43.3	Very low	54.3	Low	49 Å²	49	91.6 Å²	91.6	34%	0.343	47%	0.467	S	S	.	.			trans	-67.6	146.1	-173.5	70.2	0	0	0	0	111.3	S616 E617	S614-S616 WeakPolarHBondContact CB-OG 3.41Å; S614-S616 PolarHBondContact O-N 2.72Å; S614-S616 VanDerWaalsContact O-N 3.12Å; S614-S616 PolarHBondContact OG-OG 3.25Å; S614-E617 WeakPolarHBondContact CB-OE2 3.37Å; S614-E617 PolarHBondContact N-OE2 3.38Å; S614-E617 PolarHBondContact O-N 3.39Å; S614-E617 VanDerWaalsContact OG-CD 3.24Å; S614-E617 VanDerWaalsContact OG-CG 3.3Å; S614-E617 WeakPolarHBondContact OG-CG 3.45Å; S614-E617 PolarHBondContact OG-OE2 3.42Å
615	R	46.9	Very low	51.7	Low	203 Å²	203	92.5 Å²	92.5	77%	0.766	48%	0.483	S	S	*	.	H	α-helix	trans	-55.7	-32.4	178.9	-166.6	173.6	-177.6	158.7	2.5	112	E617 R618	R615-E617 PolarHBondContact O-N 2.93Å; R615-R618 PolarHBondContact O-N 2.82Å
616	S	43.2	Very low	49.4	Very low	82 Å²	82	98.7 Å²	98.7	57%	0.573	52%	0.516	S	S	*	.	H	α-helix	trans	-64.5	-25.4	174.8	32.6	0	0	0	0	115.7	S614	S614-S616 WeakPolarHBondContact CB-OG 3.41Å; S614-S616 PolarHBondContact O-N 2.72Å; S614-S616 VanDerWaalsContact O-N 3.12Å; S614-S616 PolarHBondContact OG-OG 3.25Å
617	E	47.7	Very low	46.8	Very low	122 Å²	122	100.5 Å²	100.5	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-82.6	-16.5	178.9	-72.7	161.3	123.2	0	0	112.6	S614 R615 S621	S614-E617 WeakPolarHBondContact CB-OE2 3.37Å; S614-E617 PolarHBondContact N-OE2 3.38Å; S614-E617 PolarHBondContact O-N 3.39Å; S614-E617 VanDerWaalsContact OG-CD 3.24Å; S614-E617 VanDerWaalsContact OG-CG 3.3Å; S614-E617 WeakPolarHBondContact OG-CG 3.45Å; S614-E617 PolarHBondContact OG-OE2 3.42Å; R615-E617 PolarHBondContact O-N 2.93Å; E617-S621 PolarHBondContact O-OG 3Å
618	R	48.5	Very low	45.4	Very low	68 Å²	68	106 Å²	106	26%	0.257	57%	0.57	S	S	.	*	H	α-helix	trans	-87.1	-32.7	-175.6	-103.7	-166.2	-168.7	143.6	15.4	115.4	E493 R615 N620 S621 L622	E493-R618 IonicContact OE1-CZ 2.67Å; E493-R618 IonicContact OE1-NH1 3.14Å; E493-R618 PolarHBondContact OE1-NH1 2.77Å; E493-R618 IonicContact OE1-NH2 3.99Å; E493-R618 IonicContact OE2-CZ 3.81Å; E493-R618 IonicContact OE2-NH1 2.62Å; E493-R618 PolarHBondContact OE2-NH1 3.29Å; E493-R618 IonicContact OE2-NH2 2.71Å; E493-R618 PolarHBondContact OE2-NH2 3.39Å; R615-R618 PolarHBondContact O-N 2.82Å; R618-N620 VanDerWaalsContact C-N 3.32Å; R618-N620 PolarHBondContact O-N 2.99Å; R618-S621 WeakPolarHBondContact CA-OG 3.2Å; R618-S621 PolarHBondContact O-N 3.15Å; R618-S621 VanDerWaalsContact O-N 3.13Å; R618-S621 PolarHBondContact O-OG 3.47Å; R618-S621 VanDerWaalsContact O-OG 3.14Å; R618-L622 HydrophobicContact CB-CD1 4.39Å; R618-L622 HydrophobicContact CG-CD1 4.3Å; R618-L622 PolarHBondContact O-N 2.73Å
619	E	46.6	Very low	44	Very low	120 Å²	120	108 Å²	108	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-62.7	-44.2	-176.5	-66	-178.2	152.2	0	0	110.2	S621 L622 Q623	E619-S621 VanDerWaalsContact C-N 3.26Å; E619-S621 PolarHBondContact O-N 2.95Å; E619-L622 PolarHBondContact O-N 3.01Å; E619-Q623 VanDerWaalsContact O-CB 3.31Å; E619-Q623 WeakPolarHBondContact O-CB 3.32Å; E619-Q623 VanDerWaalsContact O-CG 3.24Å; E619-Q623 WeakPolarHBondContact O-CG 3.43Å; E619-Q623 PolarHBondContact O-N 2.97Å
620	N	43.6	Very low	43.5	Very low	121 Å²	121	112.4 Å²	112.4	65%	0.647	61%	0.608	S	S	*	*	H	α-helix	trans	-62.7	-22.6	175.2	-65.4	-16.9	0	0	0	115	R618	R618-N620 VanDerWaalsContact C-N 3.32Å; R618-N620 PolarHBondContact O-N 2.99Å
621	S	42.5	Very low	43.2	Very low	71 Å²	71	109.2 Å²	109.2	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-100.4	-23.9	-179.2	47.4	0	0	0	0	113.6	E617 R618 E619	E617-S621 PolarHBondContact O-OG 3Å; R618-S621 WeakPolarHBondContact CA-OG 3.2Å; R618-S621 PolarHBondContact O-N 3.15Å; R618-S621 VanDerWaalsContact O-N 3.13Å; R618-S621 PolarHBondContact O-OG 3.47Å; R618-S621 VanDerWaalsContact O-OG 3.14Å; E619-S621 VanDerWaalsContact C-N 3.26Å; E619-S621 PolarHBondContact O-N 2.95Å
622	L	46	Very low	42.9	Very low	84 Å²	84	116.2 Å²	116.2	44%	0.44	62%	0.623	S	S	.	*	H	α-helix	trans	-93.2	-26.8	176.5	-71.1	169.7	0	0	0	113.5	R618 E619 N624 C625	R618-L622 HydrophobicContact CB-CD1 4.39Å; R618-L622 HydrophobicContact CG-CD1 4.3Å; R618-L622 PolarHBondContact O-N 2.73Å; E619-L622 PolarHBondContact O-N 3.01Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.85Å; L622-C625 WeakPolarHBondContact O-CB 3.15Å; L622-C625 PolarHBondContact O-N 3.33Å; L622-C625 VanDerWaalsContact O-N 3.15Å
623	Q	45.5	Very low	42.8	Very low	125 Å²	125	114.8 Å²	114.8	58%	0.584	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-62.7	-38.5	175.8	-77.5	172.8	-23.9	0	0	112.2	E619 C625 N626	E619-Q623 VanDerWaalsContact O-CB 3.31Å; E619-Q623 WeakPolarHBondContact O-CB 3.32Å; E619-Q623 VanDerWaalsContact O-CG 3.24Å; E619-Q623 WeakPolarHBondContact O-CG 3.43Å; E619-Q623 PolarHBondContact O-N 2.97Å; Q623-C625 PolarHBondContact O-N 3.12Å; Q623-C625 VanDerWaalsContact O-N 3.1Å; Q623-N626 PolarHBondContact O-N 2.77Å
624	N	42.9	Very low	42.5	Very low	132 Å²	132	116.3 Å²	116.3	71%	0.706	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-69.2	-2.5	175.9	-72.9	-6.4	0	0	0	114.7	L622	L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.85Å
625	C	41.5	Very low	42.4	Very low	95 Å²	95	121.4 Å²	121.4	64%	0.642	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-96.6	-10.1	176.1	-68.6	0	0	0	0	113.8	L622 Q623	L622-C625 WeakPolarHBondContact O-CB 3.15Å; L622-C625 PolarHBondContact O-N 3.33Å; L622-C625 VanDerWaalsContact O-N 3.15Å; Q623-C625 PolarHBondContact O-N 3.12Å; Q623-C625 VanDerWaalsContact O-N 3.1Å
626	N	43.4	Very low	42.3	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	66%	0.663	S	S	*	*	S	Bend	trans	-114.8	0.8	-172.7	-71	-26.9	0	0	0	114.3	Q623 S628	Q623-N626 PolarHBondContact O-N 2.77Å; N626-S628 PolarHBondContact O-N 3.37Å
627	S	36.5	Very low	42.2	Very low	88 Å²	88	119.9 Å²	119.9	62%	0.615	67%	0.67	S	S	*	*			trans	-83	104.6	178.3	53	0	0	0	0	111.7	G629	S627-G629 PolarHBondContact O-N 3.29Å
628	S	43.4	Very low	42	Very low	117 Å²	117	124.9 Å²	124.9	82%	0.818	69%	0.685	S	S	*	*			trans	-56.5	128.3	169.1	-61.6	0	0	0	0	111	N626 I630	N626-S628 PolarHBondContact O-N 3.37Å; S628-I630 PolarHBondContact O-N 3.14Å
629	G	36.1	Very low	41.5	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	71%	0.709	S	S	*	*			trans	-68.2	123	-177.5	0	0	0	0	0	113.1	S627	S627-G629 PolarHBondContact O-N 3.29Å
630	I	40.7	Very low	41.4	Very low	169 Å²	169	127.3 Å²	127.3	87%	0.867	71%	0.712	S	S	*	*			trans	-109.3	144.3	156.9	-65.1	179.5	0	0	0	106.9	S628	S628-I630 PolarHBondContact O-N 3.14Å
631	Q	38.8	Very low	41.4	Very low	142 Å²	142	128.6 Å²	128.6	66%	0.664	72%	0.718	S	S	*	*			trans	-84.7	176.4	-166	-66.7	172.5	-60.8	0	0	113.6
632	Y	38.8	Very low	41.2	Very low	191 Å²	191	133.2 Å²	133.2	75%	0.749	73%	0.734	S	S	*	*			trans	77	136.9	165.7	-51.1	-72.7	0	0	0	116.7
633	T	38.7	Very low	41.2	Very low	123 Å²	123	137.4 Å²	137.4	76%	0.755	76%	0.755	S	S	*	*			cis	-165.7	156.7	-40.4	8	0	0	0	0	105.5
634	P	38.8	Very low	41.1	Very low	121 Å²	121	137 Å²	137	79%	0.786	76%	0.761	S	S	*	*			trans	-87.5	154.5	-168.3	35.4	-35.1	0	0	0	113.5
635	D	39.9	Very low	40.9	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	77%	0.773	S	S	*	*			trans	-151.4	177.3	139.6	-140	-30.4	0	0	0	111.8
636	L	45.6	Very low	40.9	Very low	151 Å²	151	147.1 Å²	147.1	79%	0.791	78%	0.784	S	S	*	*			trans	-109.7	170.7	-151.1	-76.7	156.6	0	0	0	116.1
637	S	40.2	Very low	40.9	Very low	102 Å²	102	149.7 Å²	149.7	71%	0.713	79%	0.789	S	S	*	*			trans	73.4	116.2	160.9	71.8	0	0	0	0	118.7
638	Y	43.9	Very low	41.3	Very low	228 Å²	228	150.5 Å²	150.5	89%	0.894	79%	0.794	S	S	*	*				-165	140	102.9	-113.8	-84.6	0	0	0	110.5
639	D	39.1	Very low	41.4	Very low	144 Å²	144	152 Å²	152	77%	0.77	79%	0.793	S	S	*	*			trans	-130.6	164.6	172.1	-146.8	12	0	0	0	104.7
640	P	42.7	Very low	41.8	Very low	95 Å²	95	155.4 Å²	155.4	62%	0.617	79%	0.792	S	S	*	*			cis	-137	-157.2	1.5	30.5	-4.5	0	0	0	113.7
641	L	45.4	Very low	41.9	Very low	148 Å²	148	155.1 Å²	155.1	78%	0.775	79%	0.793	S	S	*	*			trans	95.5	115.5	156.8	-61.1	167.4	0	0	0	120
642	M	37.7	Very low	42.1	Very low	167 Å²	167	157.3 Å²	157.3	82%	0.823	80%	0.8	S	S	*	*				56	115.3	127.8	-60	-75.9	-88.4	0	0	119.9
643	I	44.9	Very low	42.2	Very low	173 Å²	173	156.3 Å²	156.3	89%	0.887	81%	0.806	S	S	*	*			trans	-151.1	154.1	130.2	-107.9	152.6	0	0	0	111.3
644	T	45.2	Very low	42.4	Very low	116 Å²	116	154.9 Å²	154.9	71%	0.712	81%	0.807	S	S	*	*			trans	-69.8	150.7	-157.4	48.9	0	0	0	0	117.4
645	R	37.7	Very low	42.4	Very low	252 Å²	252	154.6 Å²	154.6	95%	0.951	81%	0.808	S	S	*	*			trans	-54.4	135.4	152	-71.8	173.7	168.9	168	-4.6	110.1
646	Q	41.5	Very low	42.5	Very low	187 Å²	187	152.1 Å²	152.1	87%	0.874	80%	0.803	S	S	*	*			trans	-124.1	127.7	168.4	-142.4	175.1	22.8	0	0	110.6
647	K	43.2	Very low	42.2	Very low	194 Å²	194	150.4 Å²	150.4	84%	0.843	80%	0.804	S	S	*	*			trans	-90.8	125.7	169.4	-77	-179.2	173.9	-179.8	0	108.7	N649	K647-N649 PolarHBondContact O-N 2.73Å
648	S	45.4	Very low	42.3	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	80%	0.803	S	S	*	*			trans	-94.7	82.1	172.5	42.2	0	0	0	0	111.8	N650	S648-N650 PolarHBondContact O-N 3.34Å
649	N	44.8	Very low	42.2	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	79%	0.793	S	S	*	*			trans	-79.5	102	165.1	-83.3	10	0	0	0	109.5	K647 N651	K647-N649 PolarHBondContact O-N 2.73Å; N649-N651 PolarHBondContact O-N 2.86Å
650	N	43.8	Very low	42.2	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	79%	0.793	S	S	*	*			trans	-97.7	71.6	176.9	-78.9	-5.8	0	0	0	112.4	S648	S648-N650 PolarHBondContact O-N 3.34Å
651	N	44.1	Very low	42.1	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	80%	0.802	S	S	*	*			trans	-100.5	112.9	155.1	-92.4	-2.9	0	0	0	107.8	N649	N649-N651 PolarHBondContact O-N 2.86Å
652	K	42	Very low	41.8	Very low	188 Å²	188	141 Å²	141	82%	0.817	80%	0.797	S	S	*	*			trans	-128.3	96.2	177.8	-169.9	174.1	-177.2	-179.7	0	110.6
653	L	41.8	Very low	41.9	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	80%	0.797	S	S	*	*			trans	-62.2	139.2	156.4	-90.6	68.4	0	0	0	108.4
654	A	42.1	Very low	41.6	Very low	93 Å²	93	138.2 Å²	138.2	77%	0.769	79%	0.791	S	S	*	*			trans	-138.9	103.5	165.3	0	0	0	0	0	107.6
655	S	39	Very low	41.2	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	79%	0.794	S	S	*	*			trans	-98.2	135.1	179.8	53	0	0	0	0	110.8
656	S	41.7	Very low	41.4	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	79%	0.785	S	S	*	*			trans	-162.5	123.9	167.6	54.1	0	0	0	0	112.5
657	S	40.2	Very low	41.3	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	78%	0.779	S	S	*	*			trans	55.3	146.2	145.7	41	0	0	0	0	120.7
658	S	41.7	Very low	41.4	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	77%	0.771	S	S	*	*			cis	-165.7	170.4	0	44.1	0	0	0	0	111.4
659	S	42	Very low	41.3	Very low	100 Å²	100	127 Å²	127	70%	0.699	78%	0.776	S	S	*	*			trans	62.5	147.9	143.1	51.8	0	0	0	0	121.4
660	S	38.4	Very low	41.2	Very low	110 Å²	110	124 Å²	124	77%	0.769	77%	0.772	S	S	*	*			cis	178.5	105.9	-35.6	44.2	0	0	0	0	110.4
661	S	41.4	Very low	41.2	Very low	115 Å²	115	122.8 Å²	122.8	80%	0.804	77%	0.77	S	S	*	*			trans	-174.6	139.4	157.6	48.5	0	0	0	0	109.9
662	S	39.9	Very low	41.2	Very low	96 Å²	96	119.2 Å²	119.2	67%	0.671	76%	0.764	S	S	*	*			cis	116.9	111.5	1	74.8	0	0	0	0	113.8
663	L	39.6	Very low	41.4	Very low	158 Å²	158	116 Å²	116	83%	0.827	76%	0.76	S	S	*	*			trans	67.1	154.5	162.8	-73.4	78.9	0	0	0	115.9
664	T	38.7	Very low	41.6	Very low	124 Å²	124	114.4 Å²	114.4	76%	0.761	76%	0.757	S	S	*	*			cis	-150.4	165.5	-5.3	-1.1	0	0	0	0	113
665	T	36.6	Very low	41.8	Very low	124 Å²	124	114 Å²	114	76%	0.761	75%	0.754	S	S	*	*			trans	-62.4	156.7	171.7	48.5	0	0	0	0	117.3
666	T	40.9	Very low	42	Very low	126 Å²	126	116 Å²	116	77%	0.773	76%	0.756	S	S	*	*			trans	-151.1	115.1	145.5	21	0	0	0	0	112.9
667	T	40.7	Very low	42.7	Very low	121 Å²	121	115.8 Å²	115.8	74%	0.742	75%	0.752	S	S	*	*			trans	50.6	150.8	132.1	55.1	0	0	0	0	121.8
668	T	45	Very low	43	Very low	111 Å²	111	115 Å²	115	68%	0.681	75%	0.746	S	S	*	*			cis	-160	151.5	20.3	-17	0	0	0	0	112.4
669	T	42.4	Very low	43.3	Very low	135 Å²	135	117.3 Å²	117.3	83%	0.828	75%	0.746	S	S	*	*			trans	51.9	146.7	155.1	46.7	0	0	0	0	120.7
670	A	43.3	Very low	43.4	Very low	86 Å²	86	119 Å²	119	71%	0.711	74%	0.743	S	S	*	*			cis	-175.5	-175.1	-19.2	0	0	0	0	0	106.2
671	T	44.7	Very low	43.7	Very low	125 Å²	125	120.2 Å²	120.2	77%	0.767	74%	0.736	S	S	*	*			cis	-150.6	149.5	3.7	44.6	0	0	0	0	109.1
672	A	43.8	Very low	43.8	Very low	90 Å²	90	121.2 Å²	121.2	74%	0.744	73%	0.727	S	S	*	*			trans	58.8	144	142.8	0	0	0	0	0	120.7
673	T	46	Very low	44	Very low	120 Å²	120	123.4 Å²	123.4	74%	0.736	73%	0.727	S	S	*	*			cis	-163.5	159.4	1.5	1.2	0	0	0	0	111.3
674	T	46	Very low	44.2	Very low	135 Å²	135	121.9 Å²	121.9	83%	0.828	72%	0.719	S	S	*	*			trans	59.8	142.9	156.9	51.4	0	0	0	0	119.3
675	A	45.9	Very low	44.4	Very low	86 Å²	86	122.7 Å²	122.7	71%	0.711	72%	0.718	S	S	*	*			cis	-159.7	126.1	-10.7	0	0	0	0	0	106.9
676	D	43.6	Very low	44.7	Very low	158 Å²	158	121.1 Å²	121.1	85%	0.845	71%	0.713	S	S	*	*				96	143.4	80.7	-129.6	37.2	0	0	0	111.6
677	P	56.1	Low	44.8	Very low	98 Å²	98	120.8 Å²	120.8	64%	0.636	71%	0.711	S	S	*	*				-143.9	-144.1	-120.7	42.1	-19.2	0	0	0	114.6
678	S	46.1	Very low	44.9	Very low	98 Å²	98	121.8 Å²	121.8	69%	0.685	71%	0.711	S	S	*	*			trans	83.3	148.3	157	82.5	0	0	0	0	118.3
679	H	47.4	Very low	44.9	Very low	147 Å²	147	124 Å²	124	68%	0.681	72%	0.719	S	S	*	*			cis	-165.4	150.1	-18.7	-114.7	-51.5	0	0	0	111.4
680	H	45.3	Very low	44.9	Very low	137 Å²	137	125.7 Å²	125.7	63%	0.634	72%	0.721	S	S	*	*			trans	61.3	157.8	141.4	-71.8	-34.6	0	0	0	121.1
681	H	43.4	Very low	44.8	Very low	134 Å²	134	130.8 Å²	130.8	62%	0.62	73%	0.73	S	S	*	*			cis	-166.8	171.1	-25	-124.9	-19.2	0	0	0	110.1
682	H	44.4	Very low	44.7	Very low	137 Å²	137	132.3 Å²	132.3	63%	0.634	73%	0.732	S	S	*	*			trans	65.8	159.9	157	-66.7	-46	0	0	0	118
683	H	43.5	Very low	44.7	Very low	142 Å²	142	135.4 Å²	135.4	66%	0.657	74%	0.736	S	S	*	*			cis	-154	144	-2.2	-122.7	-30.9	0	0	0	112.8
684	L	44.7	Very low	44.6	Very low	125 Å²	125	138.4 Å²	138.4	65%	0.654	74%	0.742	S	S	*	*			trans	51.1	147.6	138.1	-76.2	168.7	0	0	0	124.6
685	N	43.1	Very low	44.6	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	74%	0.739	S	S	*	*			trans	74.2	148.8	145.4	-71.3	-6.9	0	0	0	119.8
686	S	42.1	Very low	44.6	Very low	92 Å²	92	141.1 Å²	141.1	64%	0.643	74%	0.738	S	S	*	*			cis	-166.1	-178.5	-22	-162	0	0	0	0	110
687	T	43.2	Very low	44.5	Very low	119 Å²	119	142 Å²	142	73%	0.73	74%	0.737	S	S	*	*			trans	59.1	114.7	159.1	44.4	0	0	0	0	119.5
688	N	43.4	Very low	44.1	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	75%	0.746	S	S	*	*			trans	-4.5	143	131.1	-42.3	-9.8	0	0	0	115.3
689	D	44.7	Very low	43.9	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	75%	0.751	S	S	*	*				-145.5	170.5	66.3	-80.4	-40.8	0	0	0	114.7
690	I	43	Very low	43.6	Very low	171 Å²	171	148.2 Å²	148.2	88%	0.877	76%	0.757	S	S	*	*			trans	-120.5	106.4	177.6	-59.1	174.7	0	0	0	108.7
691	E	41.6	Very low	43.5	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	76%	0.755	S	S	*	*			trans	-134.9	157.9	164.3	-157.4	153.4	-131.7	0	0	109.4
692	I	41.6	Very low	43.5	Very low	158 Å²	158	148.9 Å²	148.9	81%	0.81	76%	0.762	S	S	*	*			trans	-105.7	122.3	-163.3	-61.8	168.8	0	0	0	109.3
693	D	44.3	Very low	43.1	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	77%	0.767	S	S	*	*			trans	-152.5	168.6	167	-123.2	-27.4	0	0	0	114.4
694	E	43.4	Very low	43.2	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	77%	0.771	S	S	*	*			trans	-75.2	142	-162.8	-53.9	-177.3	116.9	0	0	116.2
695	I	46.2	Very low	43.2	Very low	151 Å²	151	145.6 Å²	145.6	77%	0.774	77%	0.773	S	S	*	*			trans	-135.9	110.5	163.3	-68.7	-171.8	0	0	0	112.1
696	N	45.2	Very low	43.2	Very low	127 Å²	127	147.4 Å²	147.4	68%	0.679	78%	0.777	S	S	*	*			trans	44.4	109.8	143.2	-58.2	-35.9	0	0	0	119.7
697	Q	42.8	Very low	43.2	Very low	176 Å²	176	152.9 Å²	152.9	82%	0.822	79%	0.79	S	S	*	*				58	116.6	89.6	-67.7	-170.4	40.8	0	0	116.4
698	V	46.5	Very low	43.4	Very low	136 Å²	136	151.9 Å²	151.9	82%	0.824	78%	0.78	S	S	*	*				-175.3	113.1	123.5	145.1	0	0	0	0	111.9
699	K	41.5	Very low	43.6	Very low	183 Å²	183	150.7 Å²	150.7	80%	0.796	78%	0.777	S	S	*	*			trans	23.6	115.6	133	-149.7	179.5	-166.4	176.3	0	119.3
700	L	43.1	Very low	44	Very low	155 Å²	155	149.3 Å²	149.3	81%	0.812	77%	0.77	S	S	*	*				177.3	120.2	118.5	-95.7	161.2	0	0	0	115.3
701	D	41.2	Very low	44.6	Very low	110 Å²	110	147.4 Å²	147.4	59%	0.588	76%	0.757	S	S	*	*			trans	30.6	128.8	139.3	-76	32	0	0	0	125
702	K	43.7	Very low	45.1	Very low	176 Å²	176	142.8 Å²	142.8	77%	0.765	75%	0.746	S	S	*	*			trans	79	88	132.9	-66.6	166.8	-177	140.4	0	120.7
703	S	37.3	Very low	45.6	Very low	106 Å²	106	144.6 Å²	144.6	74%	0.741	74%	0.744	S	S	*	*			trans	-28.2	169.5	131.2	58.2	0	0	0	0	117.8
704	P	44.8	Very low	46.2	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	74%	0.736	S	S	*	*			cis	-132.2	-168.8	-28.7	37	-19.4	0	0	0	111.5
705	T	45.1	Very low	46.9	Very low	115 Å²	115	142.7 Å²	142.7	71%	0.706	73%	0.728	S	S	*	*				160	128.5	127.5	-69.9	0	0	0	0	113
706	Q	43.3	Very low	47.2	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	72%	0.724	S	S	*	*			trans	23	116.1	157.2	-60.3	173.9	0.6	0	0	120.3	N708	Q706-N708 PolarHBondContact O-N 3.3Å
707	F	41.2	Very low	48	Very low	207 Å²	207	141.7 Å²	141.7	91%	0.908	72%	0.716	S	S	*	*			trans	-60.5	115.5	153.9	-107.9	-110.4	0	0	0	110.3	V709	F707-V709 HydrophobicContact CD1-CG2 4.39Å
708	N	47.5	Very low	49.1	Very low	98 Å²	98	137.1 Å²	137.1	52%	0.524	70%	0.7	S	S	.	*			trans	-111.2	110.2	167	-178	15.3	0	0	0	109.5	Q706 N710	Q706-N708 PolarHBondContact O-N 3.3Å; N708-N710 PolarHBondContact O-N 2.84Å
709	V	47.6	Very low	50	Low	116 Å²	116	136.5 Å²	136.5	70%	0.703	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	5.5	-167.9	-174.5	0	0	0	0	112.9	F707	F707-V709 HydrophobicContact CD1-CG2 4.39Å
710	N	54.2	Low	51.2	Low	127 Å²	127	132.4 Å²	132.4	68%	0.679	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	1.6	-166.2	-85.6	-32.8	0	0	0	117.4	N708	N708-N710 PolarHBondContact O-N 2.84Å
711	E	54	Low	52.3	Low	131 Å²	131	130.8 Å²	130.8	61%	0.612	66%	0.662	S	S	*	*	S	Bend	trans	-104.8	-29.5	-175.8	-73.9	-178.5	117.4	0	0	115.4	Y713 K714	E711-Y713 PolarHBondContact O-N 3Å; E711-K714 PolarHBondContact O-N 3.46Å
712	S	52.4	Low	53.6	Low	96 Å²	96	130 Å²	130	67%	0.671	66%	0.658	S	S	*	*	H	α-helix	trans	-60.1	-22.1	179.3	-50.3	0	0	0	0	114.3
713	Y	52.4	Low	54.5	Low	197 Å²	197	126.7 Å²	126.7	77%	0.773	65%	0.649	S	S	*	*	H	α-helix	trans	-77.5	-16.5	176.5	-96	-81.7	0	0	0	114.8	E711 T717	E711-Y713 PolarHBondContact O-N 3Å; Y713-T717 PolarHBondContact O-OG1 3.26Å
714	K	57.8	Low	55.7	Low	148 Å²	148	127 Å²	127	64%	0.643	64%	0.641	S	S	*	*	H	α-helix	trans	-84.8	-27.3	177.1	-74.9	-177.2	177	174.9	0	113.4	E711 T717 T718	E711-K714 PolarHBondContact O-N 3.46Å; K714-T717 WeakPolarHBondContact CA-OG1 3.4Å; K714-T717 PolarHBondContact O-OG1 3.32Å; K714-T717 VanDerWaalsContact O-OG1 3.1Å; K714-T718 PolarHBondContact O-N 3.46Å; K714-T718 PolarHBondContact O-OG1 3.39Å
715	Q	57.3	Low	56.6	Low	148 Å²	148	126.1 Å²	126.1	69%	0.692	63%	0.63	S	S	*	*	H	α-helix	trans	-75.6	-46.2	-177.3	-147.4	155.4	1.4	0	0	110.6	T717 T718 E719	Q715-T717 VanDerWaalsContact C-N 3.28Å; Q715-T717 PolarHBondContact O-N 3.27Å; Q715-T718 PolarHBondContact O-N 3.45Å; Q715-E719 PolarHBondContact O-N 3.32Å
716	Y	52.2	Low	57.3	Low	175 Å²	175	126.2 Å²	126.2	69%	0.686	63%	0.627	S	S	*	*	H	α-helix	trans	-62.2	-29.9	178	-131.1	-87.2	0	0	0	114.2	I720	Y716-I720 HydrophobicContact CD1-CD1 4.27Å; Y716-I720 WeakPolarHBondContact O-CG1 3.09Å
717	T	61.5	Low	57.9	Low	83 Å²	83	124.6 Å²	124.6	51%	0.509	62%	0.622	S	S	.	*	H	α-helix	trans	-77.7	-23.6	176	38.2	0	0	0	0	112.9	Y713 K714 Q715 Q721	Y713-T717 PolarHBondContact O-OG1 3.26Å; K714-T717 WeakPolarHBondContact CA-OG1 3.4Å; K714-T717 PolarHBondContact O-OG1 3.32Å; K714-T717 VanDerWaalsContact O-OG1 3.1Å; Q715-T717 VanDerWaalsContact C-N 3.28Å; Q715-T717 PolarHBondContact O-N 3.27Å; T717-Q721 PolarHBondContact O-N 3.41Å
718	T	67.5	Low	58.4	Low	79 Å²	79	119.4 Å²	119.4	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-79.4	-37.9	-179	-55.2	0	0	0	0	112.3	K714 Q715 Q721 N722	K714-T718 PolarHBondContact O-N 3.46Å; K714-T718 PolarHBondContact O-OG1 3.39Å; Q715-T718 PolarHBondContact O-N 3.45Å; T718-Q721 PolarHBondContact O-N 2.84Å; T718-N722 PolarHBondContact O-N 3.41Å; T718-N722 VanDerWaalsContact O-N 3.08Å
719	E	65.3	Low	58.7	Low	124 Å²	124	122.5 Å²	122.5	58%	0.579	63%	0.625	S	S	*	*	H	α-helix	trans	-69.8	-35.4	178.3	-66.7	-173.2	124	0	0	113	Q715 N722 N723	Q715-E719 PolarHBondContact O-N 3.32Å; E719-N722 PolarHBondContact O-N 3.03Å; E719-N723 PolarHBondContact O-N 3.41Å; E719-N723 VanDerWaalsContact O-N 3.11Å; E719-N723 PolarHBondContact O-ND2 3.06Å
720	I	65.8	Low	58.7	Low	96 Å²	96	126 Å²	126	49%	0.492	64%	0.636	S	S	.	*	H	α-helix	trans	-66.2	-41.3	174.8	-65	173.6	0	0	0	110.4	Y716 N723 L724	Y716-I720 HydrophobicContact CD1-CD1 4.27Å; Y716-I720 WeakPolarHBondContact O-CG1 3.09Å; I720-N723 PolarHBondContact O-N 2.91Å; I720-L724 HydrophobicContact CG2-CD1 4.27Å; I720-L724 PolarHBondContact O-N 3.38Å
721	Q	66.4	Low	58.6	Low	122 Å²	122	129.4 Å²	129.4	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-64.9	-40.4	177.8	-154.3	74.3	2.7	0	0	112.3	T717 T718 L724 N725	T717-Q721 PolarHBondContact O-N 3.41Å; T718-Q721 PolarHBondContact O-N 2.84Å; Q721-L724 PolarHBondContact O-N 3.4Å; Q721-N725 PolarHBondContact O-N 3.43Å; Q721-N725 PolarHBondContact O-ND2 2.76Å
722	N	67.7	Low	58.2	Low	94 Å²	94	134 Å²	134	50%	0.503	66%	0.656	S	S	.	*	H	α-helix	trans	-68.6	-39	178.5	-78	-20.7	0	0	0	112.7	T718 E719 L724 N725 N726	T718-N722 PolarHBondContact O-N 3.41Å; T718-N722 VanDerWaalsContact O-N 3.08Å; E719-N722 PolarHBondContact O-N 3.03Å; N722-L724 PolarHBondContact O-N 3.18Å; N722-N725 PolarHBondContact O-N 2.8Å; N722-N726 PolarHBondContact O-N 3.02Å
723	N	63.8	Low	58	Low	106 Å²	106	136.4 Å²	136.4	57%	0.567	66%	0.662	S	S	*	*	H	α-helix	trans	-68.8	-31.9	177.5	-77.7	-55.1	0	0	0	113.1	E719 I720	E719-N723 PolarHBondContact O-N 3.41Å; E719-N723 VanDerWaalsContact O-N 3.11Å; E719-N723 PolarHBondContact O-ND2 3.06Å; I720-N723 PolarHBondContact O-N 2.91Å
724	L	62.5	Low	57.7	Low	112 Å²	112	134 Å²	134	59%	0.586	66%	0.662	S	S	*	*	H	α-helix	trans	-68.9	-35.9	173.7	-80.6	164.4	0	0	0	113.2	I720 Q721 N722 N726 I727	I720-L724 HydrophobicContact CG2-CD1 4.27Å; I720-L724 PolarHBondContact O-N 3.38Å; Q721-L724 PolarHBondContact O-N 3.4Å; N722-L724 PolarHBondContact O-N 3.18Å; L724-N726 PolarHBondContact O-N 3.46Å; L724-I727 PolarHBondContact O-N 2.9Å
725	N	63.5	Low	57.2	Low	96 Å²	96	134.8 Å²	134.8	51%	0.513	67%	0.668	S	S	.	*	H	α-helix	trans	-67	-35.3	178.9	-79.1	-33.3	0	0	0	113.1	Q721 N722 I727 S728	Q721-N725 PolarHBondContact O-N 3.43Å; Q721-N725 PolarHBondContact O-ND2 2.76Å; N722-N725 PolarHBondContact O-N 2.8Å; N725-I727 VanDerWaalsContact C-N 3.28Å; N725-I727 PolarHBondContact O-N 2.93Å; N725-S728 PolarHBondContact O-N 3.39Å
726	N	59.4	Low	56.7	Low	117 Å²	117	134.2 Å²	134.2	63%	0.626	67%	0.669	S	S	*	*	H	α-helix	trans	-66.2	-27	-179.3	-75.2	-26.2	0	0	0	113.7	N722 L724 S728	N722-N726 PolarHBondContact O-N 3.02Å; L724-N726 PolarHBondContact O-N 3.46Å; N726-S728 VanDerWaalsContact C-N 3.28Å; N726-S728 PolarHBondContact O-N 3.49Å
727	I	56.7	Low	56.3	Low	144 Å²	144	131.8 Å²	131.8	74%	0.738	67%	0.668	S	S	*	*	H	α-helix	trans	-75.3	-18.6	179.7	-64.6	173.7	0	0	0	111.9	L724 N725	L724-I727 PolarHBondContact O-N 2.9Å; N725-I727 VanDerWaalsContact C-N 3.28Å; N725-I727 PolarHBondContact O-N 2.93Å
728	S	51.9	Low	55.4	Low	99 Å²	99	135.1 Å²	135.1	69%	0.692	68%	0.678	S	S	*	*	H	α-helix	trans	-83.2	-26.5	-177.7	-161	0	0	0	0	114	N725 N726	N725-S728 PolarHBondContact O-N 3.39Å; N726-S728 VanDerWaalsContact C-N 3.28Å; N726-S728 PolarHBondContact O-N 3.49Å
729	M	52.2	Low	54.3	Low	163 Å²	163	140.8 Å²	140.8	80%	0.803	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-76.9	-22.6	-171.5	-81.6	-70.9	-174.9	0	0	115	K731	M729-K731 VanDerWaalsContact C-N 3.3Å; M729-K731 PolarHBondContact O-N 2.66Å; M729-K731 VanDerWaalsContact O-N 3.16Å
730	M	48.9	Very low	53.2	Low	190 Å²	190	141.3 Å²	141.3	94%	0.936	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-86.2	18.7	-165.2	-128.3	179.2	-167.2	0	0	115.8
731	K	50.5	Low	52	Low	197 Å²	197	141.7 Å²	141.7	86%	0.857	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-116.9	8.9	-170.5	-116.6	176.3	-175.9	174.8	0	117	M729	M729-K731 VanDerWaalsContact C-N 3.3Å; M729-K731 PolarHBondContact O-N 2.66Å; M729-K731 VanDerWaalsContact O-N 3.16Å
732	R	45.8	Very low	50.9	Low	228 Å²	228	143 Å²	143	86%	0.86	72%	0.719	S	S	*	*			trans	-148	112.7	173.8	-65.5	-177.4	-176.8	139.2	1	112.4
733	N	49	Very low	49.5	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	73%	0.729	S	S	*	*			trans	172.5	146.9	134.5	-87.9	-17.2	0	0	0	111.8
734	N	45.4	Very low	48.4	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	74%	0.737	S	S	*	*			trans	46.4	114.6	157.4	-53.8	-10.7	0	0	0	118.2
735	H	48.4	Very low	47.4	Very low	165 Å²	165	149.7 Å²	149.7	76%	0.764	75%	0.746	S	S	*	*			cis	70.5	121.3	18.7	-126.8	74.4	0	0	0	115.5
736	N	45.5	Very low	46.5	Very low	136 Å²	136	152.8 Å²	152.8	73%	0.727	76%	0.761	S	S	*	*			trans	69.6	144.1	174.8	-56.3	-23.2	0	0	0	116.1
737	N	44.8	Very low	45.6	Very low	125 Å²	125	155.7 Å²	155.7	67%	0.668	77%	0.768	S	S	*	*			cis	-159.4	148.1	4.8	-138.3	-16.9	0	0	0	114
738	H	42.9	Very low	44.9	Very low	153 Å²	153	154.9 Å²	154.9	71%	0.708	77%	0.765	S	S	*	*			trans	63.8	156.1	155.3	-81.7	11.5	0	0	0	119.4
739	R	44.1	Very low	44.2	Very low	197 Å²	197	157 Å²	157	74%	0.743	77%	0.767	S	S	*	*			cis	-156.3	144.2	9.5	-133.3	171.8	-169.6	-179.9	2.6	114.6
740	N	41.9	Very low	43.7	Very low	136 Å²	136	156.5 Å²	156.5	73%	0.727	77%	0.767	S	S	*	*			trans	75.2	146.5	145.9	-74.9	1.9	0	0	0	125.8
741	S	41.3	Very low	43.1	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	75%	0.75	S	S	*	*			trans	65.6	111.1	167.5	25.1	0	0	0	0	117.8
742	N	42.2	Very low	42.6	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	75%	0.745	S	S	*	*				78.9	134.6	57.8	-68.7	-14.9	0	0	0	112.6
743	L	39.9	Very low	42.4	Very low	134 Å²	134	144.6 Å²	144.6	70%	0.702	74%	0.739	S	S	*	*			cis	-159.3	158.8	12.8	-153.5	74.7	0	0	0	112.6
744	L	40.6	Very low	42.3	Very low	142 Å²	142	143.2 Å²	143.2	74%	0.743	74%	0.738	S	S	*	*			trans	65.6	163.1	161	-104.4	54.2	0	0	0	118.1
745	K	41.5	Very low	42.5	Very low	178 Å²	178	141.3 Å²	141.3	77%	0.774	73%	0.734	S	S	*	*				-170.3	176.6	-67.5	-105	178.1	179.5	176.1	0	108.7
746	I	42.8	Very low	42.1	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	73%	0.733	S	S	*	*			trans	78.1	144.6	163.5	-45.6	-172.7	0	0	0	114.9
747	K	41.6	Very low	41.9	Very low	177 Å²	177	140 Å²	140	77%	0.77	73%	0.732	S	S	*	*			cis	179.3	162.7	-45.3	-126.9	-171.9	175.6	-167.7	0	108.4
748	N	41.1	Very low	41.4	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	73%	0.733	S	S	*	*			trans	76.6	156.2	163.6	-55.1	-13.5	0	0	0	117.1
749	L	38.9	Very low	41.2	Very low	142 Å²	142	139.4 Å²	139.4	74%	0.743	74%	0.737	S	S	*	*			cis	165	159.6	-40	-103.6	164.9	0	0	0	108.2
750	I	40.5	Very low	41	Very low	154 Å²	154	136.5 Å²	136.5	79%	0.79	73%	0.731	S	S	*	*			trans	73	138	161.2	-65.8	150.4	0	0	0	115.9
751	S	37.3	Very low	40.8	Very low	83 Å²	83	138.3 Å²	138.3	58%	0.58	73%	0.733	S	S	*	*			cis	-172.5	155.2	-20.8	64.9	0	0	0	0	113.5
752	L	40.3	Very low	40.8	Very low	143 Å²	143	139.6 Å²	139.6	75%	0.749	73%	0.732	S	S	*	*			trans	64.8	118.1	141.8	-66.7	159.4	0	0	0	122.6
753	N	41.4	Very low	40.7	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	73%	0.726	S	S	*	*			trans	77.7	126.3	130	-61.6	0.8	0	0	0	124.1
754	P	45.5	Very low	41	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	73%	0.725	S	S	*	*			trans	-97	-161.3	152.8	43.9	-35.6	0	0	0	110
755	P	49.7	Very low	41.2	Very low	105 Å²	105	138 Å²	138	68%	0.682	72%	0.724	S	S	*	*			cis	-140.7	-164.2	0.9	44.4	-24.6	0	0	0	116.6
756	N	41.3	Very low	41.4	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	72%	0.717	S	S	*	*			trans	95.1	139.4	149.7	-80.2	3.1	0	0	0	123.8
757	N	39.4	Very low	41.8	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	71%	0.709	S	S	*	*			trans	77.3	89.4	145.9	-67.5	5	0	0	0	123.3
758	S	34.7	Very low	41.9	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	70%	0.703	S	S	*	*				63.6	150.9	113	70.3	0	0	0	0	123.5
759	Q	39.3	Very low	41.9	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.794	71%	0.708	S	S	*	*			trans	76.1	148	174.7	-53.6	-174.1	2.3	0	0	114.9
760	Q	39.1	Very low	42.1	Very low	136 Å²	136	133.6 Å²	133.6	64%	0.636	71%	0.711	S	S	*	*			cis	-163.2	172.2	-19.4	-116	-175	-10.8	0	0	108.5
761	F	38.6	Very low	42.2	Very low	173 Å²	173	133.9 Å²	133.9	76%	0.759	71%	0.712	S	S	*	*			trans	68.1	152.5	161.2	-67.2	-54.1	0	0	0	118.5
762	N	40.4	Very low	42.8	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	71%	0.713	S	S	*	*			cis	-168	178.4	-24.7	-160.6	5.6	0	0	0	111
763	L	41.7	Very low	42.7	Very low	129 Å²	129	137.8 Å²	137.8	68%	0.675	72%	0.717	S	S	*	*			trans	103.5	118.8	154.5	-62	167.7	0	0	0	120.2
764	N	44.3	Very low	43.2	Very low	126 Å²	126	136 Å²	136	67%	0.674	71%	0.713	S	S	*	*			trans	69.2	144.8	139.6	-61.8	-2.8	0	0	0	118.9
765	N	45.3	Very low	43	Very low	135 Å²	135	141 Å²	141	72%	0.722	72%	0.718	S	S	*	*			cis	-167.7	164.7	-1.9	-104.7	-13.2	0	0	0	108.3
766	N	47.1	Very low	42.7	Very low	118 Å²	118	145.9 Å²	145.9	63%	0.631	73%	0.729	S	S	*	*			cis	-172.4	173.4	-21.5	-169	9	0	0	0	108.8
767	N	49.2	Very low	42.6	Very low	124 Å²	124	143.3 Å²	143.3	66%	0.663	72%	0.722	S	S	*	*			trans	73	145.5	159.8	-67.5	-34.5	0	0	0	120.8
768	N	43.6	Very low	42.7	Very low	118 Å²	118	147.5 Å²	147.5	63%	0.631	73%	0.73	S	S	*	*			cis	-168.2	171.3	-33.1	-134.4	-47.9	0	0	0	112.4
769	L	42.7	Very low	43.1	Very low	154 Å²	154	151 Å²	151	81%	0.806	73%	0.733	S	S	*	*			trans	64	121.1	173.3	-82.3	69.1	0	0	0	117.5
770	K	43.1	Very low	43.1	Very low	181 Å²	181	149.1 Å²	149.1	79%	0.787	73%	0.728	S	S	*	*			cis	96.5	114.4	3.3	-155.9	-168.3	-176	179.2	0	117.5
771	I	42.7	Very low	43.2	Very low	160 Å²	160	151.2 Å²	151.2	82%	0.821	74%	0.738	S	S	*	*				171.8	150.1	124.5	-88.7	165	0	0	0	111.9
772	P	48.8	Very low	43.2	Very low	91 Å²	91	147.3 Å²	147.3	59%	0.591	73%	0.733	S	S	*	*			trans	-141.3	178.5	-149.6	42.7	-23.7	0	0	0	120.4
773	Y	39.5	Very low	43.2	Very low	217 Å²	217	151 Å²	151	85%	0.851	74%	0.737	S	S	*	*			trans	73.4	169.1	155.2	-63.9	-48.5	0	0	0	119.8
774	P	51	Low	43.2	Very low	101 Å²	101	152.8 Å²	152.8	66%	0.656	74%	0.741	S	S	*	*				-141.3	-176.8	-54.9	43.1	-27.2	0	0	0	115.7
775	Y	41.1	Very low	43	Very low	222 Å²	222	154.1 Å²	154.1	87%	0.871	75%	0.748	S	S	*	*			trans	61.3	115.3	157.3	-89.8	-80.3	0	0	0	121.5
776	K	43	Very low	42.9	Very low	207 Å²	207	152.2 Å²	152.2	90%	0.9	75%	0.745	S	S	*	*				-173.1	163.6	114.8	-107.7	172.7	-177.6	175.7	0	114.7
777	S	39.2	Very low	42.7	Very low	88 Å²	88	154 Å²	154	62%	0.615	75%	0.754	S	S	*	*			trans	-94.9	148.4	174.8	168.9	0	0	0	0	110.9
778	Y	42.2	Very low	42.2	Very low	220 Å²	220	157.1 Å²	157.1	86%	0.863	77%	0.765	S	S	*	*				-177.8	160.5	113.6	-102	-71.4	0	0	0	114.9
779	F	43.1	Very low	42.2	Very low	169 Å²	169	157.5 Å²	157.5	74%	0.741	77%	0.772	S	S	*	*			trans	-37.3	152.9	176.2	-104	-146.7	0	0	0	120.1
780	N	39.6	Very low	42.3	Very low	131 Å²	131	156.2 Å²	156.2	70%	0.701	77%	0.766	S	S	*	*			trans	37.3	139.1	135.3	-58.5	-2.5	0	0	0	121.3
781	Q	40	Very low	42.4	Very low	180 Å²	180	154.5 Å²	154.5	84%	0.841	76%	0.761	S	S	*	*				167.4	143.3	97.3	-179.8	162.3	62	0	0	113.1
782	S	39.9	Very low	42.8	Very low	92 Å²	92	152.6 Å²	152.6	64%	0.643	75%	0.752	S	S	*	*			trans	58.2	118	157.6	-74.5	0	0	0	0	120
783	R	39	Very low	43	Very low	209 Å²	209	154.9 Å²	154.9	79%	0.789	76%	0.759	S	S	*	*				81	140.7	83.7	-79.9	-176.3	170.7	-170.6	-0.6	114.9
784	Q	42	Very low	43.7	Very low	165 Å²	165	158.9 Å²	158.9	77%	0.771	78%	0.775	S	S	*	*			trans	66	159.3	161.5	-67.3	168.2	-31.8	0	0	114.1
785	L	40.7	Very low	43.4	Very low	155 Å²	155	161.8 Å²	161.8	81%	0.812	78%	0.781	S	S	*	*			cis	-157.8	161.8	-20.2	-104.4	165.7	0	0	0	105.4
786	S	44.1	Very low	43.5	Very low	95 Å²	95	158.6 Å²	158.6	66%	0.664	78%	0.776	S	S	*	*			cis	-146.6	-175.6	1.2	61	0	0	0	0	110.3
787	N	41.4	Very low	43.5	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	77%	0.77	S	S	*	*			trans	-78.9	162	154.3	-78.3	11.2	0	0	0	110.3
788	E	39.4	Very low	43.8	Very low	190 Å²	190	159.9 Å²	159.9	89%	0.888	78%	0.779	S	S	*	*			trans	-72	151.6	175.2	-63.1	162.7	116.1	0	0	112.3
789	T	44.4	Very low	43.9	Very low	127 Å²	127	156.2 Å²	156.2	78%	0.779	77%	0.773	S	S	*	*			trans	-153.9	118.5	151.4	-16.6	0	0	0	0	110
790	D	44.2	Very low	43.9	Very low	127 Å²	127	155.3 Å²	155.3	68%	0.679	78%	0.775	S	S	*	*			trans	56.9	128.1	140.3	-79.2	18.1	0	0	0	123.5
791	Q	45.8	Very low	44.2	Very low	145 Å²	145	157.1 Å²	157.1	68%	0.678	78%	0.781	S	S	*	*			trans	90.8	114.2	130.1	-74.6	176.1	52.9	0	0	121.6
792	N	49.9	Very low	44.6	Very low	119 Å²	119	155.3 Å²	155.3	64%	0.636	78%	0.776	S	S	*	*				79.7	119.8	128.8	-60.5	-20.7	0	0	0	121
793	N	53.4	Low	45	Very low	139 Å²	139	160.6 Å²	160.6	74%	0.743	79%	0.787	S	S	*	*			trans	54.5	91.4	134.5	-51	-18.3	0	0	0	118.4
794	Y	55.2	Low	45.5	Very low	302 Å²	302	156.2 Å²	156.2	100%	1.184	79%	0.787	S	S	*	*				-165.2	0	88.7	-114.8	-80.1	0	0	0	112.4

Retrieved 794 of 794 residues in 919.7 ms (Link to these results)

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