A0A087XNB7_POEFO Loading...

Hepatoma-derived growth factor-related protein 2

AlphaFold DB , UniProt , Accession A0A087XNB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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	40.7	Very low	80.5	Confident	230 Å²	230	85.6 Å²	85.6	100%	1.133	47%	0.47	S	S	*	.				0	141	0	-67.1	159.8	177.6	0	0	107.7
2	P	56.7	Low	81.9	Confident	109 Å²	109	78.5 Å²	78.5	71%	0.708	43%	0.431	S	S	*	.			trans	-60.6	145.7	164.3	29.6	-34	0	0	0	108.9
3	H	65.4	Low	83	Confident	100 Å²	100	72.5 Å²	72.5	46%	0.463	40%	0.398	S	S	.	.			trans	-81.4	128.2	164.7	-92.5	-93.1	0	0	0	108.2	F5 P60	H3-F5 VanDerWaalsContact C-N 3.3Å; H3-F5 HydrophobicContact CB-CD1 4.46Å; H3-F5 HydrophobicContact CB-CD2 4.29Å; H3-F5 HydrophobicContact CB-CE1 4.1Å; H3-F5 HydrophobicContact CB-CE2 3.9Å; H3-F5 HydrophobicContact CB-CZ 3.81Å; H3-F5 VanDerWaalsContact O-CD2 3.32Å; H3-F5 WeakPolarHBondContact O-CD2 3.32Å; H3-F5 PolarHBondContact O-N 3.35Å; H3-P60 HydrophobicContact CB-CG 4.31Å
4	N	82.6	Confident	83.9	Confident	150 Å²	150	71.6 Å²	71.6	80%	0.802	39%	0.388	S	S	*	.			trans	-76.5	87.6	171.2	-74.1	76.7	0	0	0	108.3
5	F	87.8	Confident	84.6	Confident	37 Å²	37	70.1 Å²	70.1	16%	0.162	38%	0.378	C	S	.	.			trans	-71.6	135.7	-179.9	-75.7	-60.5	0	0	0	112.2	H3 D9 V11 I25 I40 A55 L58 P60	H3-F5 VanDerWaalsContact C-N 3.3Å; H3-F5 HydrophobicContact CB-CD1 4.46Å; H3-F5 HydrophobicContact CB-CD2 4.29Å; H3-F5 HydrophobicContact CB-CE1 4.1Å; H3-F5 HydrophobicContact CB-CE2 3.9Å; H3-F5 HydrophobicContact CB-CZ 3.81Å; H3-F5 VanDerWaalsContact O-CD2 3.32Å; H3-F5 WeakPolarHBondContact O-CD2 3.32Å; H3-F5 PolarHBondContact O-N 3.35Å; F5-D9 WeakPolarHBondContact CA-OD2 3.32Å; F5-V11 HydrophobicContact CD1-CG1 3.98Å; F5-V11 HydrophobicContact CE1-CG1 3.58Å; F5-V11 HydrophobicContact CZ-CG1 4.45Å; F5-I25 HydrophobicContact CB-CD1 3.47Å; F5-I25 VanDerWaalsContact CB-CD1 3.47Å; F5-I25 HydrophobicContact CD1-CD1 3.6Å; F5-I25 HydrophobicContact CG-CD1 3.74Å; F5-I40 HydrophobicContact CB-CD1 4.04Å; F5-I40 HydrophobicContact CD2-CD1 4.37Å; F5-A55 HydrophobicContact CD2-CB 3.97Å; F5-A55 HydrophobicContact CE2-CB 4.26Å; F5-L58 HydrophobicContact CD2-CB 4.32Å; F5-L58 HydrophobicContact CD2-CD1 4.1Å; F5-L58 HydrophobicContact CE1-CB 4.25Å; F5-L58 HydrophobicContact CE2-CB 3.66Å; F5-L58 HydrophobicContact CE2-CD1 4.27Å; F5-L58 HydrophobicContact CG-CD1 4.36Å; F5-L58 HydrophobicContact CZ-CB 3.61Å; F5-P60 HydrophobicContact CE1-CG 4.01Å; F5-P60 HydrophobicContact CZ-CG 4.18Å
6	Q	89.1	Confident	85.2	Confident	141 Å²	141	78.3 Å²	78.3	66%	0.659	41%	0.409	S	S	*	.			trans	-122.3	160.7	-179.6	-56.9	-165.3	-68.1	0	0	111.8	G8 D9 I25	Q6-G8 PolarHBondContact O-N 3.49Å; Q6-D9 PolarHBondContact N-OD2 3.2Å; Q6-D9 WeakPolarHBondContact O-CB 3.38Å; Q6-D9 PolarHBondContact O-N 3.43Å; Q6-I25 VanDerWaalsContact O-CB 3.3Å; Q6-I25 WeakPolarHBondContact O-CB 3.44Å; Q6-I25 WeakPolarHBondContact O-CG2 3.33Å
7	A	89.3	Confident	85.7	Confident	56 Å²	56	76.6 Å²	76.6	46%	0.463	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	133.9	173.6	0	0	0	0	0	110.7	D27	A7-D27 HydrophobicContact CB-CB 3.89Å
8	G	89.6	Confident	86.1	Confident	30 Å²	30	78.4 Å²	78.4	31%	0.309	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-12.9	-174.4	0	0	0	0	0	115.6	Q6 I25	Q6-G8 PolarHBondContact O-N 3.49Å; G8-I25 WeakPolarHBondContact CA-O 3.34Å; G8-I25 PolarHBondContact N-O 2.95Å
9	D	93.9	Very high	86.6	Confident	55 Å²	55	75.8 Å²	75.8	29%	0.294	40%	0.404	S	S	.	.			trans	-58	138.1	178	-83.3	-11.4	0	0	0	112	F5 Q6 R24 I25	F5-D9 WeakPolarHBondContact CA-OD2 3.32Å; Q6-D9 PolarHBondContact N-OD2 3.2Å; Q6-D9 WeakPolarHBondContact O-CB 3.38Å; Q6-D9 PolarHBondContact O-N 3.43Å; D9-R24 CarbonylContact O-C 3.57Å; D9-R24 VanDerWaalsContact O-CA 3.24Å; D9-R24 WeakPolarHBondContact O-CA 3.13Å; D9-I25 HydrophobicContact CB-CB 4.3Å; D9-I25 HydrophobicContact CB-CD1 3.84Å; D9-I25 HydrophobicContact CB-CG1 3.96Å; D9-I25 PolarHBondContact O-N 3.04Å
10	L	94.8	Very high	87.1	Confident	34 Å²	34	73.9 Å²	73.9	18%	0.178	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.2	172.9	-57.5	-172.6	0	0	0	110.5	R24 F45 Y61 I84 P88	L10-R24 HydrophobicContact CD2-CB 3.93Å; L10-F45 HydrophobicContact CD2-CE2 4.22Å; L10-F45 HydrophobicContact CD2-CZ 4.28Å; L10-Y61 HydrophobicContact CB-CG 4.24Å; L10-Y61 VanDerWaalsContact O-CB 3.28Å; L10-Y61 WeakPolarHBondContact O-CB 3.21Å; L10-Y61 PolarHBondContact O-N 2.82Å; L10-I84 HydrophobicContact CB-CD1 4.34Å; L10-I84 HydrophobicContact CB-CG1 4.41Å; L10-I84 HydrophobicContact CD1-CG1 4.14Å; L10-I84 HydrophobicContact CD2-CG1 4.23Å; L10-I84 HydrophobicContact CG-CG1 4.5Å; L10-P88 HydrophobicContact CD1-CB 3.91Å; L10-P88 HydrophobicContact CD2-CB 3.83Å; L10-P88 HydrophobicContact CG-CB 4.48Å
11	V	95.8	Very high	87.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.4	-174.3	-65.8	0	0	0	0	112.2	F5 A23 I25 L58 F59	F5-V11 HydrophobicContact CD1-CG1 3.98Å; F5-V11 HydrophobicContact CE1-CG1 3.58Å; F5-V11 HydrophobicContact CZ-CG1 4.45Å; V11-A23 HydrophobicContact CG2-CB 4.13Å; V11-A23 PolarHBondContact N-O 2.97Å; V11-A23 CarbonylContact O-C 3.52Å; V11-A23 PolarHBondContact O-N 3.37Å; V11-I25 HydrophobicContact CG1-CD1 4.12Å; V11-I25 HydrophobicContact CG1-CG1 4.16Å; V11-I25 HydrophobicContact CG2-CG1 4.15Å; V11-L58 HydrophobicContact CG2-CD2 4.49Å; V11-F59 CarbonylContact C-O 3.52Å; V11-F59 WeakPolarHBondContact CA-O 3.41Å
12	F	96.4	Very high	90.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.9	152.5	-69	-86.2	0	0	0	108.9	H20 W21 P22 F59 Y61 R65 Y68 L81	F12-H20 HydrophobicContact CB-CB 4.1Å; F12-H20 HydrophobicContact CD1-CB 4.48Å; F12-W21 CarbonylContact C-O 3.56Å; F12-W21 VanDerWaalsContact CA-O 3.3Å; F12-W21 WeakPolarHBondContact CA-O 3.46Å; F12-P22 HydrophobicContact CE1-CB 4.39Å; F12-F59 HydrophobicContact CB-CB 4.34Å; F12-F59 PolarHBondContact N-O 2.86Å; F12-F59 PolarHBondContact O-N 3.24Å; F12-Y61 AromaticContact CD2-CD2 3.89Å; F12-Y61 HydrophobicContact CD2-CD2 3.89Å; F12-Y61 HydrophobicContact CE1-CD2 4.4Å; F12-Y61 HydrophobicContact CE1-CE2 4.29Å; F12-Y61 AromaticContact CE2-CD2 3.22Å; F12-Y61 HydrophobicContact CE2-CD2 3.22Å; F12-Y61 AromaticContact CE2-CE2 3.59Å; F12-Y61 HydrophobicContact CE2-CE2 3.59Å; F12-Y61 HydrophobicContact CE2-CG 4.06Å; F12-Y61 AromaticContact CZ-CD2 3.54Å; F12-Y61 HydrophobicContact CZ-CD2 3.54Å; F12-Y61 AromaticContact CZ-CE2 3.41Å; F12-Y61 HydrophobicContact CZ-CE2 3.41Å; F12-Y61 VanDerWaalsContact CZ-CE2 3.41Å; F12-R65 HydrophobicContact CE2-CB 4.23Å; F12-Y68 HydrophobicContact CB-CD2 4.22Å; F12-Y68 HydrophobicContact CD2-CD2 4.35Å; F12-Y68 HydrophobicContact CG-CD2 4.19Å; F12-L81 HydrophobicContact CE1-CD2 4.01Å; F12-L81 HydrophobicContact CZ-CD2 4.41Å
13	A	96.6	Very high	92.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.4	179.5	0	0	0	0	0	111.2	W21 A23 I42 F44 L53 L58	A13-W21 PolarHBondContact N-O 3.4Å; A13-W21 PolarHBondContact O-N 2.95Å; A13-A23 HydrophobicContact CB-CB 3.94Å; A13-I42 HydrophobicContact CB-CG2 3.92Å; A13-F44 HydrophobicContact CB-CD1 4.4Å; A13-F44 HydrophobicContact CB-CE1 3.53Å; A13-F44 HydrophobicContact CB-CZ 4.07Å; A13-L53 HydrophobicContact CB-CD1 3.78Å; A13-L58 HydrophobicContact CB-CD2 3.93Å
14	K	96.1	Very high	93.6	Very high	61 Å²	61	50.8 Å²	50.8	27%	0.265	27%	0.269	S	S	.	.			trans	-120.3	91.1	-171.3	-175.5	65.2	-171.7	92.7	0	113.1	Y18 D57 F59	K14-Y18 PolarHBondContact NZ-O 3.37Å; K14-D57 PolarHBondContact N-O 2.95Å; K14-F59 HydrophobicContact CB-CD2 4.49Å; K14-F59 HydrophobicContact CB-CE2 3.91Å
15	M	93.9	Very high	94.1	Very high	48 Å²	48	43.9 Å²	43.9	24%	0.236	23%	0.233	C	C	.	.			trans	-85.2	163.7	168.9	67.7	173.7	75.3	0	0	112.9	Y18 F44	M15-Y18 HydrophobicContact CG-CD2 3.71Å; M15-Y18 HydrophobicContact CG-CG 3.78Å; M15-Y18 HydrophobicContact SD-CD1 4.16Å; M15-Y18 HydrophobicContact SD-CD2 3.49Å; M15-Y18 WeakPolarHBondContact SD-CD2 3.45Å; M15-Y18 HydrophobicContact SD-CE1 4.45Å; M15-Y18 HydrophobicContact SD-CE2 3.85Å; M15-Y18 HydrophobicContact SD-CG 3.69Å; M15-F44 HydrophobicContact CE-CD1 4.35Å; M15-F44 HydrophobicContact CE-CD2 4.22Å; M15-F44 HydrophobicContact CE-CE1 3.7Å; M15-F44 HydrophobicContact CE-CE2 3.57Å; M15-F44 HydrophobicContact CE-CZ 3.28Å
16	K	94	Very high	94.2	Very high	201 Å²	201	44.5 Å²	44.5	87%	0.874	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	133.4	176.9	176	72.3	175.3	-170.9	0	110.1	Y18	K16-Y18 VanDerWaalsContact C-N 3.33Å; K16-Y18 WeakPolarHBondContact O-CD2 3.47Å; K16-Y18 PolarHBondContact O-N 3.41Å
17	G	93.4	Very high	94	Very high	51 Å²	51	43.7 Å²	43.7	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.3	176.2	0	0	0	0	0	116.6	R74	G17-R74 VanDerWaalsContact O-CZ 3.32Å; G17-R74 PolarHBondContact O-NH1 3.42Å; G17-R74 VanDerWaalsContact O-NH1 3.17Å; G17-R74 PolarHBondContact O-NH2 2.88Å
18	Y	93.9	Very high	93.2	Very high	108 Å²	108	43.9 Å²	43.9	42%	0.424	23%	0.232	S	C	.	.	S	Bend	trans	-114.9	161.9	179.4	-70.1	-110.7	0	0	0	111.6	K14 M15 K16 W21	K14-Y18 PolarHBondContact NZ-O 3.37Å; M15-Y18 HydrophobicContact CG-CD2 3.71Å; M15-Y18 HydrophobicContact CG-CG 3.78Å; M15-Y18 HydrophobicContact SD-CD1 4.16Å; M15-Y18 HydrophobicContact SD-CD2 3.49Å; M15-Y18 WeakPolarHBondContact SD-CD2 3.45Å; M15-Y18 HydrophobicContact SD-CE1 4.45Å; M15-Y18 HydrophobicContact SD-CE2 3.85Å; M15-Y18 HydrophobicContact SD-CG 3.69Å; K16-Y18 VanDerWaalsContact C-N 3.33Å; K16-Y18 WeakPolarHBondContact O-CD2 3.47Å; K16-Y18 PolarHBondContact O-N 3.41Å; Y18-W21 HydrophobicContact CD1-CE3 4.03Å; Y18-W21 AromaticContact CD1-CZ3 3.84Å; Y18-W21 HydrophobicContact CD1-CZ3 3.84Å
19	P	95.3	Very high	91.9	Very high	29 Å²	29	46.1 Å²	46.1	19%	0.188	25%	0.247	C	C	.	.			trans	-61.4	177.8	166	29.7	-38.2	0	0	0	112.1	W21 F77	P19-W21 HydrophobicContact CG-CE3 3.8Å; P19-W21 HydrophobicContact CG-CZ3 4.07Å; P19-W21 PolarHBondContact O-N 3.32Å; P19-F77 HydrophobicContact CB-CD2 4.48Å; P19-F77 HydrophobicContact CB-CE2 3.84Å; P19-F77 HydrophobicContact CB-CZ 4.43Å; P19-F77 HydrophobicContact CG-CD2 3.66Å; P19-F77 HydrophobicContact CG-CE2 3.48Å; P19-F77 VanDerWaalsContact CG-CE2 3.48Å; P19-F77 HydrophobicContact CG-CZ 4.44Å
20	H	97.1	Very high	89.8	Confident	38 Å²	38	51.8 Å²	51.8	18%	0.176	28%	0.277	C	S	.	.			trans	-70.7	109.3	163.7	-64.4	84.4	0	0	0	107.2	F12 F59 Y68 F77	F12-H20 HydrophobicContact CB-CB 4.1Å; F12-H20 HydrophobicContact CD1-CB 4.48Å; H20-F59 AromaticContact CD2-CD2 3.81Å; H20-F59 AromaticContact CD2-CE2 3.76Å; H20-F59 AromaticContact NE2-CE2 3.91Å; H20-Y68 HydrophobicContact CB-CD1 3.89Å; H20-Y68 HydrophobicContact CB-CD2 3.72Å; H20-Y68 HydrophobicContact CB-CE1 4.39Å; H20-Y68 HydrophobicContact CB-CE2 4.27Å; H20-Y68 HydrophobicContact CB-CG 3.54Å; H20-Y68 AromaticContact CD2-CD2 3.93Å; H20-Y68 AromaticContact CD2-CE2 3.58Å; H20-Y68 AromaticContact CD2-CZ 3.68Å; H20-Y68 AromaticContact CE1-CE1 3.46Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.46Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.46Å; H20-Y68 AromaticContact CE1-CZ 3.5Å; H20-Y68 VanDerWaalsContact CE1-CZ 3.5Å; H20-Y68 AromaticContact CG-CD1 3.72Å; H20-Y68 AromaticContact CG-CD2 3.74Å; H20-Y68 AromaticContact CG-CE1 3.72Å; H20-Y68 AromaticContact CG-CE2 3.77Å; H20-Y68 AromaticContact CG-CG 3.75Å; H20-Y68 AromaticContact CG-CZ 3.76Å; H20-Y68 AromaticContact ND1-CD1 3.51Å; H20-Y68 AromaticContact ND1-CE1 3.27Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.27Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.49Å; H20-Y68 AromaticContact ND1-CZ 3.64Å; H20-Y68 AromaticContact NE2-CE1 3.98Å; H20-Y68 AromaticContact NE2-CE2 3.9Å; H20-Y68 AromaticContact NE2-CZ 3.54Å; H20-F77 WeakPolarHBondContact O-CE2 2.92Å
21	W	97.4	Very high	87.9	Confident	8 Å²	8	54 Å²	54	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.8	-167.8	-156.5	-79.1	0	0	0	111.3	F12 A13 Y18 P19 A23 F44 F45 T47 R74 K75 F77	F12-W21 CarbonylContact C-O 3.56Å; F12-W21 VanDerWaalsContact CA-O 3.3Å; F12-W21 WeakPolarHBondContact CA-O 3.46Å; A13-W21 PolarHBondContact N-O 3.4Å; A13-W21 PolarHBondContact O-N 2.95Å; Y18-W21 HydrophobicContact CD1-CE3 4.03Å; Y18-W21 AromaticContact CD1-CZ3 3.84Å; Y18-W21 HydrophobicContact CD1-CZ3 3.84Å; P19-W21 HydrophobicContact CG-CE3 3.8Å; P19-W21 HydrophobicContact CG-CZ3 4.07Å; P19-W21 PolarHBondContact O-N 3.32Å; W21-A23 PolarHBondContact O-N 2.77Å; W21-F44 HydrophobicContact CB-CD1 3.89Å; W21-F44 HydrophobicContact CB-CE1 4.1Å; W21-F44 AromaticContact CD1-CD1 3.68Å; W21-F44 AromaticContact CG-CD1 3.93Å; W21-F44 HydrophobicContact CG-CD1 3.93Å; W21-F45 PolarHBondContact NE1-O 2.89Å; W21-T47 HydrophobicContact CH2-CG2 4.46Å; W21-T47 HydrophobicContact CZ2-CG2 3.74Å; W21-R74 HydrophobicContact CH2-CB 4.15Å; W21-R74 HydrophobicContact CZ3-CB 4.19Å; W21-K75 WeakPolarHBondContact CH2-O 3.27Å; W21-F77 AromaticContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CE2 4.36Å; W21-F77 AromaticContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CE2 4.24Å; W21-F77 HydrophobicContact CG-CD2 4.39Å; W21-F77 HydrophobicContact CH2-CB 3.8Å; W21-F77 HydrophobicContact CH2-CD2 4.13Å; W21-F77 HydrophobicContact CZ2-CB 3.97Å; W21-F77 HydrophobicContact CZ2-CD2 4.29Å; W21-F77 HydrophobicContact CZ3-CB 4.23Å; W21-F77 AromaticContact CZ3-CD2 3.79Å; W21-F77 HydrophobicContact CZ3-CD2 3.79Å
22	P	96.4	Very high	85.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.4	175.2	26.4	-34.7	0	0	0	110.8	F12 F45 L81 I84	F12-P22 HydrophobicContact CE1-CB 4.39Å; P22-F45 PolarHBondContact O-N 2.85Å; P22-L81 HydrophobicContact CB-CD2 4.1Å; P22-L81 HydrophobicContact CG-CD2 3.96Å; P22-L81 HydrophobicContact CG-CG 4.3Å; P22-I84 HydrophobicContact CB-CB 4.19Å; P22-I84 HydrophobicContact CB-CD1 3.84Å; P22-I84 HydrophobicContact CB-CG2 3.92Å
23	A	96.4	Very high	83.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.1	-176.2	0	0	0	0	0	111	V11 A13 W21 I42 F43 F44 I84	V11-A23 HydrophobicContact CG2-CB 4.13Å; V11-A23 PolarHBondContact N-O 2.97Å; V11-A23 CarbonylContact O-C 3.52Å; V11-A23 PolarHBondContact O-N 3.37Å; A13-A23 HydrophobicContact CB-CB 3.94Å; W21-A23 PolarHBondContact O-N 2.77Å; A23-I42 HydrophobicContact CB-CG2 3.56Å; A23-F43 CarbonylContact C-O 3.55Å; A23-F43 WeakPolarHBondContact CA-O 3.28Å; A23-F43 VanDerWaalsContact CB-O 3.25Å; A23-F43 WeakPolarHBondContact CB-O 3.26Å; A23-F44 HydrophobicContact CB-CD1 3.98Å; A23-F44 HydrophobicContact CB-CE1 4.41Å; A23-I84 WeakPolarHBondContact O-CD1 3.23Å
24	R	95.1	Very high	81.8	Confident	19 Å²	19	73.3 Å²	73.3	7%	0.072	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162.2	162.3	66.9	167.7	177.9	-118.2	-6.3	110.4	D9 L10 I42 F43 F45 P88 A90	D9-R24 CarbonylContact O-C 3.57Å; D9-R24 VanDerWaalsContact O-CA 3.24Å; D9-R24 WeakPolarHBondContact O-CA 3.13Å; L10-R24 HydrophobicContact CD2-CB 3.93Å; R24-I42 WeakPolarHBondContact O-CA 3.34Å; R24-F43 HydrophobicContact CG-CB 3.97Å; R24-F43 HydrophobicContact CG-CD1 4.1Å; R24-F43 HydrophobicContact CG-CG 4.44Å; R24-F43 PolarHBondContact N-O 2.87Å; R24-F43 PolarHBondContact O-N 2.82Å; R24-F45 HydrophobicContact CB-CE2 3.83Å; R24-F45 HydrophobicContact CB-CZ 3.83Å; R24-F45 HydrophobicContact CG-CE2 4.2Å; R24-F45 HydrophobicContact CG-CZ 3.88Å; R24-P88 PolarHBondContact NH1-O 2.77Å; R24-A90 VanDerWaalsContact CZ-O 3.28Å; R24-A90 PolarHBondContact NH1-O 3.19Å; R24-A90 PolarHBondContact NH2-O 3.07Å
25	I	94	Very high	80.2	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.031	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.7	167.2	-54.3	-166	0	0	0	108.1	F5 Q6 G8 D9 V11 I40 I42 L58	F5-I25 HydrophobicContact CB-CD1 3.47Å; F5-I25 VanDerWaalsContact CB-CD1 3.47Å; F5-I25 HydrophobicContact CD1-CD1 3.6Å; F5-I25 HydrophobicContact CG-CD1 3.74Å; Q6-I25 VanDerWaalsContact O-CB 3.3Å; Q6-I25 WeakPolarHBondContact O-CB 3.44Å; Q6-I25 WeakPolarHBondContact O-CG2 3.33Å; G8-I25 WeakPolarHBondContact CA-O 3.34Å; G8-I25 PolarHBondContact N-O 2.95Å; D9-I25 HydrophobicContact CB-CB 4.3Å; D9-I25 HydrophobicContact CB-CD1 3.84Å; D9-I25 HydrophobicContact CB-CG1 3.96Å; D9-I25 PolarHBondContact O-N 3.04Å; V11-I25 HydrophobicContact CG1-CD1 4.12Å; V11-I25 HydrophobicContact CG1-CG1 4.16Å; V11-I25 HydrophobicContact CG2-CG1 4.15Å; I25-I40 HydrophobicContact CD1-CG2 4.22Å; I25-I40 HydrophobicContact CG1-CG2 4.5Å; I25-I40 HydrophobicContact CG2-CG2 3.46Å; I25-I40 VanDerWaalsContact CG2-CG2 3.46Å; I25-I42 HydrophobicContact CB-CD1 4.44Å; I25-I42 HydrophobicContact CD1-CD1 4.43Å; I25-I42 HydrophobicContact CG1-CD1 3.82Å; I25-L58 HydrophobicContact CD1-CD1 4.17Å
26	E	89.8	Confident	78.9	Confident	50 Å²	50	72.8 Å²	72.8	23%	0.234	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-87.8	159.4	177.8	-168.4	157.5	-124	0	0	109.9	P41 F43 T50	E26-P41 HydrophobicContact CB-CB 4.24Å; E26-P41 HydrophobicContact CB-CG 4.37Å; E26-P41 PolarHBondContact N-O 3.19Å; E26-P41 WeakPolarHBondContact O-CG 3.37Å; E26-F43 HydrophobicContact CB-CB 4.49Å; E26-T50 VanDerWaalsContact OE2-CG2 3.23Å; E26-T50 WeakPolarHBondContact OE2-CG2 3.36Å
27	D	83.9	Confident	77.7	Confident	123 Å²	123	68.4 Å²	68.4	66%	0.658	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-83.2	144	172.4	-161.4	8.5	0	0	0	110.6	A7 A29	A7-D27 HydrophobicContact CB-CB 3.89Å; D27-A29 PolarHBondContact O-N 3.37Å
28	V	73.7	Confident	77	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.37	43%	0.429	S	S	.	.			trans	-80.4	101.7	175.7	179	0	0	0	0	107.2	D30 P35 P41	V28-D30 PolarHBondContact O-N 2.81Å; V28-P35 HydrophobicContact CG1-CG 3.86Å; V28-P35 HydrophobicContact CG2-CG 4.06Å; V28-P41 HydrophobicContact CG2-CG 3.72Å
29	A	61.7	Low	76.7	Confident	76 Å²	76	73.1 Å²	73.1	63%	0.628	43%	0.431	S	S	*	.			trans	-51.2	110.3	178.2	0	0	0	0	0	111.5	D27 G31 A32	D27-A29 PolarHBondContact O-N 3.37Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.92Å; A29-A32 PolarHBondContact O-N 2.91Å
30	D	50.6	Low	76.5	Confident	175 Å²	175	73.3 Å²	73.3	94%	0.936	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	75.8	-166.3	-169.4	32.5	0	0	0	112.2	V28	V28-D30 PolarHBondContact O-N 2.81Å
31	G	53.6	Low	76.3	Confident	79 Å²	79	72.2 Å²	72.2	81%	0.814	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	168.9	-12.8	-174.4	0	0	0	0	0	115.1	A29	A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.92Å
32	A	52.4	Low	76.1	Confident	75 Å²	75	71.8 Å²	71.8	62%	0.62	43%	0.425	S	S	*	.	S	Bend	trans	-98.9	153.8	170.6	0	0	0	0	0	111.7	A29 K34	A29-A32 PolarHBondContact O-N 2.91Å; A32-K34 PolarHBondContact O-N 2.75Å
33	V	50.8	Low	76	Confident	144 Å²	144	71.9 Å²	71.9	87%	0.873	43%	0.425	S	S	*	.	S	Bend	trans	-38.7	120.5	-173.3	179.9	0	0	0	0	113
34	K	59	Low	76	Confident	187 Å²	187	72 Å²	72	81%	0.813	43%	0.426	S	S	*	.			trans	-33.9	120.2	-178.8	179.5	173.9	-178.1	169.7	0	112	A32	A32-K34 PolarHBondContact O-N 2.75Å
35	P	60.8	Low	76	Confident	38 Å²	38	71 Å²	71	25%	0.247	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-60.2	147.4	-172.4	25.5	-36.4	0	0	0	111	V28 F52	V28-P35 HydrophobicContact CG1-CG 3.86Å; V28-P35 HydrophobicContact CG2-CG 4.06Å; P35-F52 HydrophobicContact CB-CE1 4.26Å
36	P	68.5	Low	76	Confident	61 Å²	61	71.2 Å²	71.2	40%	0.396	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-55.1	127.9	-177.4	-25.8	34.1	0	0	0	111	N38 K39	P36-N38 PolarHBondContact O-N 3.45Å; P36-K39 HydrophobicContact CB-CB 4.47Å; P36-K39 HydrophobicContact CB-CD 4.07Å; P36-K39 HydrophobicContact CB-CG 4.29Å; P36-K39 HydrophobicContact CG-CD 4.46Å; P36-K39 PolarHBondContact O-N 3.19Å
37	P	67	Low	76.2	Confident	109 Å²	109	71.2 Å²	71.2	71%	0.708	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	136.2	-173.3	22	-32.9	0	0	0	111.1	K39	P37-K39 VanDerWaalsContact C-N 3.3Å
38	N	79.3	Confident	76.6	Confident	149 Å²	149	68.2 Å²	68.2	80%	0.797	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	11.4	-174	-40.7	-68.3	0	0	0	116	P36	P36-N38 PolarHBondContact O-N 3.45Å
39	K	88	Confident	77.5	Confident	108 Å²	108	70.6 Å²	70.6	47%	0.47	42%	0.418	S	S	.	.			trans	-110.1	144.9	165.1	-57	-169.9	-175.3	-178.1	0	111.6	P36 P37 F52 L53	P36-K39 HydrophobicContact CB-CB 4.47Å; P36-K39 HydrophobicContact CB-CD 4.07Å; P36-K39 HydrophobicContact CB-CG 4.29Å; P36-K39 HydrophobicContact CG-CD 4.46Å; P36-K39 PolarHBondContact O-N 3.19Å; P37-K39 VanDerWaalsContact C-N 3.3Å; K39-F52 HydrophobicContact CB-CB 4.01Å; K39-F52 HydrophobicContact CD-CB 3.83Å; K39-L53 CarbonylContact C-O 3.56Å; K39-L53 WeakPolarHBondContact CA-O 3.3Å
40	I	90.3	Very high	78.9	Confident	34 Å²	34	71 Å²	71	17%	0.174	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136	-178.8	-62.5	169.5	0	0	0	107.2	F5 I25 I42 F52 L53 A55 L58	F5-I40 HydrophobicContact CB-CD1 4.04Å; F5-I40 HydrophobicContact CD2-CD1 4.37Å; I25-I40 HydrophobicContact CD1-CG2 4.22Å; I25-I40 HydrophobicContact CG1-CG2 4.5Å; I25-I40 HydrophobicContact CG2-CG2 3.46Å; I25-I40 VanDerWaalsContact CG2-CG2 3.46Å; I40-I42 HydrophobicContact CB-CD1 4.47Å; I40-I42 HydrophobicContact CG2-CD1 3.86Å; I40-F52 WeakPolarHBondContact O-CA 3.24Å; I40-L53 PolarHBondContact N-O 2.81Å; I40-L53 PolarHBondContact O-N 2.79Å; I40-A55 HydrophobicContact CD1-CB 3.95Å; I40-L58 HydrophobicContact CB-CD1 4.37Å; I40-L58 HydrophobicContact CD1-CD1 3.83Å; I40-L58 HydrophobicContact CG2-CD1 4.38Å
41	P	92.7	Very high	80.9	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.091	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.5	172.8	33.4	-36.3	0	0	0	110.8	E26 V28 F52	E26-P41 HydrophobicContact CB-CB 4.24Å; E26-P41 HydrophobicContact CB-CG 4.37Å; E26-P41 PolarHBondContact N-O 3.19Å; E26-P41 WeakPolarHBondContact O-CG 3.37Å; V28-P41 HydrophobicContact CG2-CG 3.72Å; P41-F52 HydrophobicContact CB-CD1 4.17Å; P41-F52 HydrophobicContact CB-CE1 3.85Å
42	I	94.5	Very high	82.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.2	-174	-56.3	-62.3	0	0	0	109.1	A13 A23 R24 I25 I40 F44 T50 A51 L53 L58	A13-I42 HydrophobicContact CB-CG2 3.92Å; A23-I42 HydrophobicContact CB-CG2 3.56Å; R24-I42 WeakPolarHBondContact O-CA 3.34Å; I25-I42 HydrophobicContact CB-CD1 4.44Å; I25-I42 HydrophobicContact CD1-CD1 4.43Å; I25-I42 HydrophobicContact CG1-CD1 3.82Å; I40-I42 HydrophobicContact CB-CD1 4.47Å; I40-I42 HydrophobicContact CG2-CD1 3.86Å; I42-F44 HydrophobicContact CG2-CE1 4.39Å; I42-F44 HydrophobicContact CG2-CE2 4.37Å; I42-F44 HydrophobicContact CG2-CZ 4.19Å; I42-T50 CarbonylContact O-C 3.54Å; I42-T50 VanDerWaalsContact O-CA 3.3Å; I42-T50 WeakPolarHBondContact O-CA 3.39Å; I42-A51 PolarHBondContact N-O 2.85Å; I42-A51 PolarHBondContact O-N 3.28Å; I42-L53 HydrophobicContact CG1-CB 4.09Å; I42-L53 HydrophobicContact CG1-CD1 4.37Å; I42-L53 HydrophobicContact CG1-CG 4.42Å; I42-L58 HydrophobicContact CD1-CD1 3.68Å; I42-L58 HydrophobicContact CD1-CD2 3.59Å; I42-L58 HydrophobicContact CD1-CG 4.3Å; I42-L58 HydrophobicContact CG1-CD2 3.87Å
43	F	94.6	Very high	84.7	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.3	173.1	174.8	-86.8	0	0	0	109.6	A23 R24 E26 F45 H48 T50 Y92	A23-F43 CarbonylContact C-O 3.55Å; A23-F43 WeakPolarHBondContact CA-O 3.28Å; A23-F43 VanDerWaalsContact CB-O 3.25Å; A23-F43 WeakPolarHBondContact CB-O 3.26Å; R24-F43 HydrophobicContact CG-CB 3.97Å; R24-F43 HydrophobicContact CG-CD1 4.1Å; R24-F43 HydrophobicContact CG-CG 4.44Å; R24-F43 PolarHBondContact N-O 2.87Å; R24-F43 PolarHBondContact O-N 2.82Å; E26-F43 HydrophobicContact CB-CB 4.49Å; F43-F45 HydrophobicContact CD1-CD1 4.27Å; F43-F45 HydrophobicContact CD1-CE1 4.32Å; F43-F45 AromaticContact CE1-CD1 3.88Å; F43-F45 HydrophobicContact CE1-CD1 3.88Å; F43-F45 HydrophobicContact CE1-CE1 4.14Å; F43-H48 AromaticContact CE1-CD2 4Å; F43-H48 HydrophobicContact CE2-CB 3.83Å; F43-H48 HydrophobicContact CZ-CB 3.68Å; F43-H48 AromaticContact CZ-CD2 3.5Å; F43-H48 VanDerWaalsContact CZ-CD2 3.5Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.3Å; F43-H48 AromaticContact CZ-CG 3.83Å; F43-T50 HydrophobicContact CD2-CG2 4.07Å; F43-Y92 HydrophobicContact CE1-CD2 4.36Å; F43-Y92 AromaticContact CZ-CD2 3.81Å; F43-Y92 HydrophobicContact CZ-CD2 3.81Å; F43-Y92 HydrophobicContact CZ-CG 4.32Å
44	F	95.8	Very high	86.6	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.5	179.5	-67.2	-82	0	0	0	111.6	A13 M15 W21 A23 I42 H48 E49 A51 L53	A13-F44 HydrophobicContact CB-CD1 4.4Å; A13-F44 HydrophobicContact CB-CE1 3.53Å; A13-F44 HydrophobicContact CB-CZ 4.07Å; M15-F44 HydrophobicContact CE-CD1 4.35Å; M15-F44 HydrophobicContact CE-CD2 4.22Å; M15-F44 HydrophobicContact CE-CE1 3.7Å; M15-F44 HydrophobicContact CE-CE2 3.57Å; M15-F44 HydrophobicContact CE-CZ 3.28Å; W21-F44 HydrophobicContact CB-CD1 3.89Å; W21-F44 HydrophobicContact CB-CE1 4.1Å; W21-F44 AromaticContact CD1-CD1 3.68Å; W21-F44 AromaticContact CG-CD1 3.93Å; W21-F44 HydrophobicContact CG-CD1 3.93Å; A23-F44 HydrophobicContact CB-CD1 3.98Å; A23-F44 HydrophobicContact CB-CE1 4.41Å; I42-F44 HydrophobicContact CG2-CE1 4.39Å; I42-F44 HydrophobicContact CG2-CE2 4.37Å; I42-F44 HydrophobicContact CG2-CZ 4.19Å; F44-H48 VanDerWaalsContact O-CA 3.24Å; F44-H48 WeakPolarHBondContact O-CA 3.47Å; F44-H48 PolarHBondContact O-N 2.91Å; F44-E49 HydrophobicContact CD2-CB 4.39Å; F44-E49 WeakPolarHBondContact CD2-O 3.49Å; F44-E49 PolarHBondContact N-O 2.99Å; F44-A51 HydrophobicContact CE2-CB 3.87Å; F44-L53 HydrophobicContact CZ-CD1 4.02Å
45	F	94.8	Very high	88.2	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	144.2	175.1	-66.3	-72.2	0	0	0	111	L10 W21 P22 R24 F43 T47 G80 E83 I84 P88	L10-F45 HydrophobicContact CD2-CE2 4.22Å; L10-F45 HydrophobicContact CD2-CZ 4.28Å; W21-F45 PolarHBondContact NE1-O 2.89Å; P22-F45 PolarHBondContact O-N 2.85Å; R24-F45 HydrophobicContact CB-CE2 3.83Å; R24-F45 HydrophobicContact CB-CZ 3.83Å; R24-F45 HydrophobicContact CG-CE2 4.2Å; R24-F45 HydrophobicContact CG-CZ 3.88Å; F43-F45 HydrophobicContact CD1-CD1 4.27Å; F43-F45 HydrophobicContact CD1-CE1 4.32Å; F43-F45 AromaticContact CE1-CD1 3.88Å; F43-F45 HydrophobicContact CE1-CD1 3.88Å; F43-F45 HydrophobicContact CE1-CE1 4.14Å; F45-T47 PolarHBondContact O-N 3.01Å; F45-G80 WeakPolarHBondContact CB-O 3.23Å; F45-G80 WeakPolarHBondContact O-CA 3.33Å; F45-E83 WeakPolarHBondContact CA-OE2 3.5Å; F45-E83 HydrophobicContact CB-CB 3.99Å; F45-E83 WeakPolarHBondContact CB-OE2 3.24Å; F45-E83 HydrophobicContact CD1-CB 3.76Å; F45-E83 WeakPolarHBondContact CD1-OE2 3.35Å; F45-E83 HydrophobicContact CG-CB 4.13Å; F45-I84 HydrophobicContact CD2-CB 3.65Å; F45-I84 HydrophobicContact CD2-CD1 3.82Å; F45-I84 HydrophobicContact CD2-CG1 3.85Å; F45-I84 HydrophobicContact CE2-CB 3.81Å; F45-I84 HydrophobicContact CE2-CD1 3.76Å; F45-I84 HydrophobicContact CE2-CG1 3.6Å; F45-I84 HydrophobicContact CG-CB 4.26Å; F45-I84 HydrophobicContact CZ-CG1 4.45Å; F45-P88 WeakPolarHBondContact CZ-O 3.4Å
46	G	94.6	Very high	89.7	Confident	9 Å²	9	57 Å²	57	9%	0.093	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-0.3	-178.9	0	0	0	0	0	116.6	G76 E83	G46-G76 WeakPolarHBondContact CA-O 3.45Å; G46-G76 WeakPolarHBondContact O-CA 3.34Å; G46-E83 PolarHBondContact N-OE2 3.04Å
47	T	93.5	Very high	90.9	Very high	51 Å²	51	56.1 Å²	56.1	31%	0.313	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-20.4	157.9	66.2	0	0	0	0	112.6	W21 F45 E49	W21-T47 HydrophobicContact CH2-CG2 4.46Å; W21-T47 HydrophobicContact CZ2-CG2 3.74Å; F45-T47 PolarHBondContact O-N 3.01Å; T47-E49 VanDerWaalsContact CB-OE2 3.28Å; T47-E49 WeakPolarHBondContact CB-OE2 3.45Å; T47-E49 PolarHBondContact O-N 3.34Å; T47-E49 VanDerWaalsContact O-N 3.14Å; T47-E49 PolarHBondContact OG1-OE2 2.86Å
48	H	92.6	Very high	92.2	Very high	59 Å²	59	51.3 Å²	51.3	27%	0.273	27%	0.273	S	S	.	.			trans	58.6	18.3	-177.7	-47.9	146	0	0	0	113.7	F43 F44 E83	F43-H48 AromaticContact CE1-CD2 4Å; F43-H48 HydrophobicContact CE2-CB 3.83Å; F43-H48 HydrophobicContact CZ-CB 3.68Å; F43-H48 AromaticContact CZ-CD2 3.5Å; F43-H48 VanDerWaalsContact CZ-CD2 3.5Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.3Å; F43-H48 AromaticContact CZ-CG 3.83Å; F44-H48 VanDerWaalsContact O-CA 3.24Å; F44-H48 WeakPolarHBondContact O-CA 3.47Å; F44-H48 PolarHBondContact O-N 2.91Å; H48-E83 IonicContact CD2-OE1 3.5Å; H48-E83 IonicContact CD2-OE2 3.19Å; H48-E83 IonicContact CE1-OE1 2.63Å; H48-E83 PolarHBondContact CE1-OE1 2.83Å; H48-E83 VanDerWaalsContact NE2-CD 3.3Å; H48-E83 IonicContact NE2-OE1 2.73Å; H48-E83 PolarHBondContact NE2-OE1 2.87Å; H48-E83 IonicContact NE2-OE2 2.73Å; H48-E83 PolarHBondContact NE2-OE2 3.07Å; H48-E83 VanDerWaalsContact NE2-OE2 3.09Å
49	E	91.9	Very high	92.9	Very high	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.245	S	C	.	.			trans	-75.9	145.1	174.7	-65.7	166.9	136.4	0	0	110.6	F44 T47	F44-E49 HydrophobicContact CD2-CB 4.39Å; F44-E49 WeakPolarHBondContact CD2-O 3.49Å; F44-E49 PolarHBondContact N-O 2.99Å; T47-E49 VanDerWaalsContact CB-OE2 3.28Å; T47-E49 WeakPolarHBondContact CB-OE2 3.45Å; T47-E49 PolarHBondContact O-N 3.34Å; T47-E49 VanDerWaalsContact O-N 3.14Å; T47-E49 PolarHBondContact OG1-OE2 2.86Å
50	T	91.5	Very high	93.2	Very high	84 Å²	84	42.1 Å²	42.1	52%	0.515	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.2	175.8	56.4	0	0	0	0	110.8	E26 I42 F43	E26-T50 VanDerWaalsContact OE2-CG2 3.23Å; E26-T50 WeakPolarHBondContact OE2-CG2 3.36Å; I42-T50 CarbonylContact O-C 3.54Å; I42-T50 VanDerWaalsContact O-CA 3.3Å; I42-T50 WeakPolarHBondContact O-CA 3.39Å; F43-T50 HydrophobicContact CD2-CG2 4.07Å
51	A	92.3	Very high	93.4	Very high	34 Å²	34	41.1 Å²	41.1	28%	0.281	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.6	176.1	0	0	0	0	0	113.7	I42 F44	I42-A51 PolarHBondContact N-O 2.85Å; I42-A51 PolarHBondContact O-N 3.28Å; F44-A51 HydrophobicContact CE2-CB 3.87Å
52	F	92.5	Very high	93.3	Very high	109 Å²	109	46 Å²	46	48%	0.478	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	104.5	178	-68.5	-81.5	0	0	0	111.5	P35 K39 I40 P41	P35-F52 HydrophobicContact CB-CE1 4.26Å; K39-F52 HydrophobicContact CB-CB 4.01Å; K39-F52 HydrophobicContact CD-CB 3.83Å; I40-F52 WeakPolarHBondContact O-CA 3.24Å; P41-F52 HydrophobicContact CB-CD1 4.17Å; P41-F52 HydrophobicContact CB-CE1 3.85Å
53	L	93	Very high	93.2	Very high	26 Å²	26	52.6 Å²	52.6	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	156.6	179.1	-69	-179	0	0	0	112.5	A13 K39 I40 I42 F44 L58	A13-L53 HydrophobicContact CB-CD1 3.78Å; K39-L53 CarbonylContact C-O 3.56Å; K39-L53 WeakPolarHBondContact CA-O 3.3Å; I40-L53 PolarHBondContact N-O 2.81Å; I40-L53 PolarHBondContact O-N 2.79Å; I42-L53 HydrophobicContact CG1-CB 4.09Å; I42-L53 HydrophobicContact CG1-CD1 4.37Å; I42-L53 HydrophobicContact CG1-CG 4.42Å; F44-L53 HydrophobicContact CZ-CD1 4.02Å; L53-L58 HydrophobicContact CB-CD2 4.17Å; L53-L58 HydrophobicContact CD1-CD2 4.1Å
54	A	92.1	Very high	93.1	Very high	29 Å²	29	55.1 Å²	55.1	24%	0.24	28%	0.282	C	S	.	.			trans	-85.4	148.9	173.2	0	0	0	0	0	110.8	K56 D57	A54-K56 HydrophobicContact CB-CG 3.92Å; A54-K56 PolarHBondContact O-N 2.79Å; A54-D57 PolarHBondContact O-N 2.89Å
55	A	91.1	Very high	93	Very high	44 Å²	44	61.4 Å²	61.4	36%	0.364	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-55.4	-20.7	-179.1	0	0	0	0	0	115.2	F5 I40 D57 L58	F5-A55 HydrophobicContact CD2-CB 3.97Å; F5-A55 HydrophobicContact CE2-CB 4.26Å; I40-A55 HydrophobicContact CD1-CB 3.95Å; A55-D57 VanDerWaalsContact C-N 3.26Å; A55-D57 PolarHBondContact O-N 3.17Å; A55-L58 PolarHBondContact O-N 3.4Å
56	K	92.3	Very high	92.9	Very high	163 Å²	163	68.7 Å²	68.7	71%	0.709	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.9	173.4	62.6	164.7	-163.6	178	0	114	A54	A54-K56 HydrophobicContact CB-CG 3.92Å; A54-K56 PolarHBondContact O-N 2.79Å
57	D	94.5	Very high	92.8	Very high	43 Å²	43	75.8 Å²	75.8	23%	0.23	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-101.3	8.4	-175.5	-55.9	-54.5	0	0	0	111.3	K14 A54 A55	K14-D57 PolarHBondContact N-O 2.95Å; A54-D57 PolarHBondContact O-N 2.89Å; A55-D57 VanDerWaalsContact C-N 3.26Å; A55-D57 PolarHBondContact O-N 3.17Å
58	L	94.6	Very high	92.8	Very high	8 Å²	8	75.5 Å²	75.5	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.4	-179.7	-53	-179.1	0	0	0	110.5	F5 V11 A13 I25 I40 I42 L53 A55	F5-L58 HydrophobicContact CD2-CB 4.32Å; F5-L58 HydrophobicContact CD2-CD1 4.1Å; F5-L58 HydrophobicContact CE1-CB 4.25Å; F5-L58 HydrophobicContact CE2-CB 3.66Å; F5-L58 HydrophobicContact CE2-CD1 4.27Å; F5-L58 HydrophobicContact CG-CD1 4.36Å; F5-L58 HydrophobicContact CZ-CB 3.61Å; V11-L58 HydrophobicContact CG2-CD2 4.49Å; A13-L58 HydrophobicContact CB-CD2 3.93Å; I25-L58 HydrophobicContact CD1-CD1 4.17Å; I40-L58 HydrophobicContact CB-CD1 4.37Å; I40-L58 HydrophobicContact CD1-CD1 3.83Å; I40-L58 HydrophobicContact CG2-CD1 4.38Å; I42-L58 HydrophobicContact CD1-CD1 3.68Å; I42-L58 HydrophobicContact CD1-CD2 3.59Å; I42-L58 HydrophobicContact CD1-CG 4.3Å; I42-L58 HydrophobicContact CG1-CD2 3.87Å; L53-L58 HydrophobicContact CB-CD2 4.17Å; L53-L58 HydrophobicContact CD1-CD2 4.1Å; A55-L58 PolarHBondContact O-N 3.4Å
59	F	94.1	Very high	92.8	Very high	46 Å²	46	73.9 Å²	73.9	20%	0.202	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.6	-176.3	-61.1	-95.7	0	0	0	108.9	V11 F12 K14 H20 Y61 Y64 Y68	V11-F59 CarbonylContact C-O 3.52Å; V11-F59 WeakPolarHBondContact CA-O 3.41Å; F12-F59 HydrophobicContact CB-CB 4.34Å; F12-F59 PolarHBondContact N-O 2.86Å; F12-F59 PolarHBondContact O-N 3.24Å; K14-F59 HydrophobicContact CB-CD2 4.49Å; K14-F59 HydrophobicContact CB-CE2 3.91Å; H20-F59 AromaticContact CD2-CD2 3.81Å; H20-F59 AromaticContact CD2-CE2 3.76Å; H20-F59 AromaticContact NE2-CE2 3.91Å; F59-Y61 PolarHBondContact O-N 2.89Å; F59-Y64 HydrophobicContact CB-CD2 3.84Å; F59-Y64 HydrophobicContact CB-CE2 4.26Å; F59-Y64 HydrophobicContact CB-CG 4.13Å; F59-Y64 HydrophobicContact CD1-CD2 4.47Å; F59-Y64 HydrophobicContact CD1-CE1 4.27Å; F59-Y64 HydrophobicContact CD1-CE2 4.2Å; F59-Y68 HydrophobicContact CG-CE2 4.47Å
60	P	94.9	Very high	92.9	Very high	18 Å²	18	75 Å²	75	12%	0.117	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	132.4	-177.2	-26	33.9	0	0	0	112.5	H3 F5 E62 K63 Y64	H3-P60 HydrophobicContact CB-CG 4.31Å; F5-P60 HydrophobicContact CE1-CG 4.01Å; F5-P60 HydrophobicContact CZ-CG 4.18Å; P60-E62 PolarHBondContact O-N 3.15Å; P60-K63 PolarHBondContact O-N 3.02Å; P60-Y64 WeakPolarHBondContact O-CD2 3.25Å; P60-Y64 PolarHBondContact O-N 2.91Å
61	Y	93.7	Very high	93	Very high	13 Å²	13	76.5 Å²	76.5	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-59.1	-49.8	-169.3	178.8	-99.3	0	0	0	112.3	L10 F12 F59 K63 Y64 R65 I84 Q85	L10-Y61 HydrophobicContact CB-CG 4.24Å; L10-Y61 VanDerWaalsContact O-CB 3.28Å; L10-Y61 WeakPolarHBondContact O-CB 3.21Å; L10-Y61 PolarHBondContact O-N 2.82Å; F12-Y61 AromaticContact CD2-CD2 3.89Å; F12-Y61 HydrophobicContact CD2-CD2 3.89Å; F12-Y61 HydrophobicContact CE1-CD2 4.4Å; F12-Y61 HydrophobicContact CE1-CE2 4.29Å; F12-Y61 AromaticContact CE2-CD2 3.22Å; F12-Y61 HydrophobicContact CE2-CD2 3.22Å; F12-Y61 AromaticContact CE2-CE2 3.59Å; F12-Y61 HydrophobicContact CE2-CE2 3.59Å; F12-Y61 HydrophobicContact CE2-CG 4.06Å; F12-Y61 AromaticContact CZ-CD2 3.54Å; F12-Y61 HydrophobicContact CZ-CD2 3.54Å; F12-Y61 AromaticContact CZ-CE2 3.41Å; F12-Y61 HydrophobicContact CZ-CE2 3.41Å; F12-Y61 VanDerWaalsContact CZ-CE2 3.41Å; F59-Y61 PolarHBondContact O-N 2.89Å; Y61-K63 PolarHBondContact O-N 3.06Å; Y61-Y64 CarbonylContact O-C 3.58Å; Y61-Y64 PolarHBondContact O-N 2.91Å; Y61-R65 HydrophobicContact CD1-CB 4.46Å; Y61-R65 HydrophobicContact CE1-CB 4.11Å; Y61-R65 HydrophobicContact CE2-CB 4.38Å; Y61-R65 WeakPolarHBondContact O-CB 3.39Å; Y61-R65 PolarHBondContact O-N 3.07Å; Y61-I84 HydrophobicContact CD2-CD1 3.38Å; Y61-I84 HydrophobicContact CD2-CG1 4.01Å; Y61-I84 HydrophobicContact CD2-CG2 4.46Å; Y61-I84 HydrophobicContact CE2-CB 4.41Å; Y61-I84 HydrophobicContact CE2-CD1 3.64Å; Y61-I84 HydrophobicContact CE2-CG1 3.93Å; Y61-I84 HydrophobicContact CE2-CG2 3.59Å; Y61-I84 HydrophobicContact CG-CD1 4.06Å; Y61-I84 HydrophobicContact CG-CG1 4.47Å; Y61-Q85 VanDerWaalsContact OH-CG 3.26Å; Y61-Q85 WeakPolarHBondContact OH-CG 3.3Å; Y61-Q85 PolarHBondContact OH-NE2 2.89Å
62	E	91.4	Very high	93	Very high	116 Å²	116	77.6 Å²	77.6	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-40.6	-173.6	-64.2	59	-122.3	0	0	111.2	P60	P60-E62 PolarHBondContact O-N 3.15Å
63	K	91.9	Very high	93.1	Very high	139 Å²	139	82.6 Å²	82.6	60%	0.604	39%	0.394	S	S	*	.	H	α-helix	trans	-78.2	-21.8	-176.5	-173.1	170.6	-178.8	172.5	0	113.5	P60 Y61	P60-K63 PolarHBondContact O-N 3.02Å; Y61-K63 PolarHBondContact O-N 3.06Å
64	Y	92.3	Very high	93	Very high	54 Å²	54	86.3 Å²	86.3	21%	0.212	41%	0.406	C	S	.	.	H	α-helix	trans	-122.2	-2.9	-173.8	-70.8	-85.5	0	0	0	114.7	F59 P60 Y61 E66 R67 Y68	F59-Y64 HydrophobicContact CB-CD2 3.84Å; F59-Y64 HydrophobicContact CB-CE2 4.26Å; F59-Y64 HydrophobicContact CB-CG 4.13Å; F59-Y64 HydrophobicContact CD1-CD2 4.47Å; F59-Y64 HydrophobicContact CD1-CE1 4.27Å; F59-Y64 HydrophobicContact CD1-CE2 4.2Å; P60-Y64 WeakPolarHBondContact O-CD2 3.25Å; P60-Y64 PolarHBondContact O-N 2.91Å; Y61-Y64 CarbonylContact O-C 3.58Å; Y61-Y64 PolarHBondContact O-N 2.91Å; Y64-E66 VanDerWaalsContact C-N 3.26Å; Y64-E66 PolarHBondContact O-N 2.9Å; Y64-R67 WeakPolarHBondContact O-CA 3.49Å; Y64-R67 WeakPolarHBondContact O-CB 3.46Å; Y64-R67 PolarHBondContact O-N 3.35Å; Y64-Y68 HydrophobicContact CD1-CD2 4.22Å; Y64-Y68 AromaticContact CD1-CE2 3.56Å; Y64-Y68 HydrophobicContact CD1-CE2 3.56Å; Y64-Y68 HydrophobicContact CE1-CE2 4.4Å; Y64-Y68 HydrophobicContact CG-CD2 4.3Å; Y64-Y68 HydrophobicContact CG-CE2 4Å; Y64-Y68 PolarHBondContact O-N 3.44Å
65	R	92.8	Very high	93.1	Very high	133 Å²	133	94.4 Å²	94.4	50%	0.502	44%	0.436	S	S	.	.	H	α-helix	trans	-53.5	-37.7	178.6	69.3	-175	-167.6	163.9	6.2	113.7	F12 Y61 R67 G69	F12-R65 HydrophobicContact CE2-CB 4.23Å; Y61-R65 HydrophobicContact CD1-CB 4.46Å; Y61-R65 HydrophobicContact CE1-CB 4.11Å; Y61-R65 HydrophobicContact CE2-CB 4.38Å; Y61-R65 WeakPolarHBondContact O-CB 3.39Å; Y61-R65 PolarHBondContact O-N 3.07Å; R65-R67 VanDerWaalsContact C-N 3.26Å; R65-R67 PolarHBondContact O-N 3.5Å; R65-G69 WeakPolarHBondContact O-CA 3.4Å; R65-G69 PolarHBondContact O-N 2.99Å
66	E	93.1	Very high	93.1	Very high	153 Å²	153	92.7 Å²	92.7	72%	0.715	42%	0.422	S	S	*	.	H	α-helix	trans	-72.7	-22	179.2	-60.9	179.7	-174.3	0	0	112.8	Y64 K70	Y64-E66 VanDerWaalsContact C-N 3.26Å; Y64-E66 PolarHBondContact O-N 2.9Å; E66-K70 VanDerWaalsContact O-CE 3.23Å; E66-K70 WeakPolarHBondContact O-CE 3.28Å
67	R	93.8	Very high	93.3	Very high	159 Å²	159	85 Å²	85	60%	0.6	39%	0.389	S	S	*	.	H	α-helix	trans	-91.4	-43.9	179.4	-167.8	-178.5	-70	-167.6	-4	112	Y64 R65	Y64-R67 WeakPolarHBondContact O-CA 3.49Å; Y64-R67 WeakPolarHBondContact O-CB 3.46Å; Y64-R67 PolarHBondContact O-N 3.35Å; R65-R67 VanDerWaalsContact C-N 3.26Å; R65-R67 PolarHBondContact O-N 3.5Å
68	Y	93.1	Very high	93.3	Very high	44 Å²	44	86.6 Å²	86.6	17%	0.173	40%	0.397	C	S	.	.	H	α-helix	trans	-112.8	-18.2	-170.7	-56.3	-41.4	0	0	0	114.7	F12 H20 F59 Y64 K70	F12-Y68 HydrophobicContact CB-CD2 4.22Å; F12-Y68 HydrophobicContact CD2-CD2 4.35Å; F12-Y68 HydrophobicContact CG-CD2 4.19Å; H20-Y68 HydrophobicContact CB-CD1 3.89Å; H20-Y68 HydrophobicContact CB-CD2 3.72Å; H20-Y68 HydrophobicContact CB-CE1 4.39Å; H20-Y68 HydrophobicContact CB-CE2 4.27Å; H20-Y68 HydrophobicContact CB-CG 3.54Å; H20-Y68 AromaticContact CD2-CD2 3.93Å; H20-Y68 AromaticContact CD2-CE2 3.58Å; H20-Y68 AromaticContact CD2-CZ 3.68Å; H20-Y68 AromaticContact CE1-CE1 3.46Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.46Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.46Å; H20-Y68 AromaticContact CE1-CZ 3.5Å; H20-Y68 VanDerWaalsContact CE1-CZ 3.5Å; H20-Y68 AromaticContact CG-CD1 3.72Å; H20-Y68 AromaticContact CG-CD2 3.74Å; H20-Y68 AromaticContact CG-CE1 3.72Å; H20-Y68 AromaticContact CG-CE2 3.77Å; H20-Y68 AromaticContact CG-CG 3.75Å; H20-Y68 AromaticContact CG-CZ 3.76Å; H20-Y68 AromaticContact ND1-CD1 3.51Å; H20-Y68 AromaticContact ND1-CE1 3.27Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.27Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.49Å; H20-Y68 AromaticContact ND1-CZ 3.64Å; H20-Y68 AromaticContact NE2-CE1 3.98Å; H20-Y68 AromaticContact NE2-CE2 3.9Å; H20-Y68 AromaticContact NE2-CZ 3.54Å; F59-Y68 HydrophobicContact CG-CE2 4.47Å; Y64-Y68 HydrophobicContact CD1-CD2 4.22Å; Y64-Y68 AromaticContact CD1-CE2 3.56Å; Y64-Y68 HydrophobicContact CD1-CE2 3.56Å; Y64-Y68 HydrophobicContact CE1-CE2 4.4Å; Y64-Y68 HydrophobicContact CG-CD2 4.3Å; Y64-Y68 HydrophobicContact CG-CE2 4Å; Y64-Y68 PolarHBondContact O-N 3.44Å; Y68-K70 PolarHBondContact O-N 2.96Å
69	G	92.1	Very high	93.3	Very high	25 Å²	25	91.2 Å²	91.2	26%	0.258	42%	0.419	S	S	.	.			trans	-74.2	33.9	175.3	0	0	0	0	0	114.7	R65	R65-G69 WeakPolarHBondContact O-CA 3.4Å; R65-G69 PolarHBondContact O-N 2.99Å
70	K	94.1	Very high	93.4	Very high	135 Å²	135	89 Å²	89	59%	0.587	41%	0.409	S	S	*	.	S	Bend	trans	-100.2	129.9	-179.2	-65.9	179.8	-179.1	177.5	0	109.5	E66 Y68 F77	E66-K70 VanDerWaalsContact O-CE 3.23Å; E66-K70 WeakPolarHBondContact O-CE 3.28Å; Y68-K70 PolarHBondContact O-N 2.96Å; K70-F77 WeakPolarHBondContact O-CE1 3.19Å
71	P	93	Very high	93.4	Very high	115 Å²	115	88.9 Å²	88.9	75%	0.747	41%	0.407	S	S	*	.			trans	-51.7	141.1	-179.4	-29.9	35.9	0	0	0	113.8	N78	P71-N78 VanDerWaalsContact CA-OD1 3.23Å; P71-N78 WeakPolarHBondContact CA-OD1 3.43Å
72	N	93.4	Very high	93.4	Very high	57 Å²	57	95.1 Å²	95.1	31%	0.305	43%	0.431	S	S	.	.			trans	-126.5	162.6	-172.9	-157.1	-39.5	0	0	0	110.6	F77 N78	N72-F77 HydrophobicContact CB-CB 4.09Å; N72-F77 HydrophobicContact CB-CD1 3.24Å; N72-F77 HydrophobicContact CB-CD2 4.34Å; N72-F77 HydrophobicContact CB-CE1 3.65Å; N72-F77 HydrophobicContact CB-CG 3.63Å; N72-F77 HydrophobicContact CB-CZ 4.36Å; N72-N78 PolarHBondContact N-OD1 2.58Å; N72-N78 PolarHBondContact O-ND2 2.9Å; N72-N78 PolarHBondContact O-OD1 2.88Å
73	K	94.4	Very high	93.6	Very high	214 Å²	214	90 Å²	90	93%	0.93	41%	0.407	S	S	*	.	S	Bend	trans	-86	-5.7	178.6	-65.3	-173.7	178	-176	0	113.8
74	R	91	Very high	93.7	Very high	104 Å²	104	83.6 Å²	83.6	39%	0.392	38%	0.379	S	S	.	.	S	Bend	trans	-75.9	136.1	177	-68.1	-164.1	175.1	-154.3	1.8	111.2	G17 W21 F77	G17-R74 VanDerWaalsContact O-CZ 3.32Å; G17-R74 PolarHBondContact O-NH1 3.42Å; G17-R74 VanDerWaalsContact O-NH1 3.17Å; G17-R74 PolarHBondContact O-NH2 2.88Å; W21-R74 HydrophobicContact CH2-CB 4.15Å; W21-R74 HydrophobicContact CZ3-CB 4.19Å; R74-F77 HydrophobicContact CB-CB 4.36Å; R74-F77 WeakPolarHBondContact O-CB 3.23Å; R74-F77 PolarHBondContact O-N 3.26Å
75	K	92.9	Very high	93.6	Very high	199 Å²	199	87 Å²	87	87%	0.865	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	142.8	171.1	-168.4	-172.2	178.2	-165.7	0	109.7	W21 F77	W21-K75 WeakPolarHBondContact CH2-O 3.27Å; K75-F77 PolarHBondContact O-N 2.81Å; K75-F77 VanDerWaalsContact O-N 3.09Å
76	G	92.3	Very high	93.5	Very high	8 Å²	8	84.7 Å²	84.7	8%	0.082	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-21.9	-178.6	0	0	0	0	0	115.7	G46 G80	G46-G76 WeakPolarHBondContact CA-O 3.45Å; G46-G76 WeakPolarHBondContact O-CA 3.34Å; G76-G80 PolarHBondContact O-N 3.33Å
77	F	95.6	Very high	93.2	Very high	3 Å²	3	80.2 Å²	80.2	1%	0.013	38%	0.376	C	S	.	.	H	α-helix	trans	-68	-44.7	-173.4	-170.7	-87	0	0	0	113.4	P19 H20 W21 K70 N72 R74 K75 E79 G80 L81	P19-F77 HydrophobicContact CB-CD2 4.48Å; P19-F77 HydrophobicContact CB-CE2 3.84Å; P19-F77 HydrophobicContact CB-CZ 4.43Å; P19-F77 HydrophobicContact CG-CD2 3.66Å; P19-F77 HydrophobicContact CG-CE2 3.48Å; P19-F77 VanDerWaalsContact CG-CE2 3.48Å; P19-F77 HydrophobicContact CG-CZ 4.44Å; H20-F77 WeakPolarHBondContact O-CE2 2.92Å; W21-F77 AromaticContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CD2 3.77Å; W21-F77 HydrophobicContact CD2-CE2 4.36Å; W21-F77 AromaticContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CD2 3.61Å; W21-F77 HydrophobicContact CE3-CE2 4.24Å; W21-F77 HydrophobicContact CG-CD2 4.39Å; W21-F77 HydrophobicContact CH2-CB 3.8Å; W21-F77 HydrophobicContact CH2-CD2 4.13Å; W21-F77 HydrophobicContact CZ2-CB 3.97Å; W21-F77 HydrophobicContact CZ2-CD2 4.29Å; W21-F77 HydrophobicContact CZ3-CB 4.23Å; W21-F77 AromaticContact CZ3-CD2 3.79Å; W21-F77 HydrophobicContact CZ3-CD2 3.79Å; K70-F77 WeakPolarHBondContact O-CE1 3.19Å; N72-F77 HydrophobicContact CB-CB 4.09Å; N72-F77 HydrophobicContact CB-CD1 3.24Å; N72-F77 HydrophobicContact CB-CD2 4.34Å; N72-F77 HydrophobicContact CB-CE1 3.65Å; N72-F77 HydrophobicContact CB-CG 3.63Å; N72-F77 HydrophobicContact CB-CZ 4.36Å; R74-F77 HydrophobicContact CB-CB 4.36Å; R74-F77 WeakPolarHBondContact O-CB 3.23Å; R74-F77 PolarHBondContact O-N 3.26Å; K75-F77 PolarHBondContact O-N 2.81Å; K75-F77 VanDerWaalsContact O-N 3.09Å; F77-E79 VanDerWaalsContact C-N 3.35Å; F77-G80 PolarHBondContact O-N 2.83Å; F77-L81 HydrophobicContact CD1-CD1 4.02Å; F77-L81 HydrophobicContact CD1-CG 4.11Å; F77-L81 HydrophobicContact CE1-CD1 3.61Å; F77-L81 HydrophobicContact CE1-CD2 4.28Å; F77-L81 HydrophobicContact CE1-CG 3.84Å; F77-L81 WeakPolarHBondContact O-CG 3.35Å; F77-L81 PolarHBondContact O-N 3.5Å
78	N	95.1	Very high	92.8	Very high	75 Å²	75	73.9 Å²	73.9	40%	0.401	36%	0.355	S	S	.	.	H	α-helix	trans	-74.5	-31	-178.5	-58.1	-33.4	0	0	0	112.1	P71 N72 L81 W82	P71-N78 VanDerWaalsContact CA-OD1 3.23Å; P71-N78 WeakPolarHBondContact CA-OD1 3.43Å; N72-N78 PolarHBondContact N-OD1 2.58Å; N72-N78 PolarHBondContact O-ND2 2.9Å; N72-N78 PolarHBondContact O-OD1 2.88Å; N78-L81 PolarHBondContact O-N 2.68Å; N78-W82 PolarHBondContact O-N 2.79Å; N78-W82 VanDerWaalsContact O-N 3.14Å
79	E	94.8	Very high	92	Very high	106 Å²	106	78.9 Å²	78.9	50%	0.495	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-48.6	170.7	-177.4	169.7	-160	0	0	109.6	F77 L81 W82 E83	F77-E79 VanDerWaalsContact C-N 3.35Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.31Å; E79-W82 CarbonylContact O-C 3.48Å; E79-W82 WeakPolarHBondContact O-CA 3.46Å; E79-W82 WeakPolarHBondContact O-CB 3.49Å; E79-W82 PolarHBondContact O-N 3.26Å; E79-E83 PolarHBondContact O-N 2.77Å
80	G	95.4	Very high	91	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-32.3	174.1	0	0	0	0	0	114.6	F45 G76 F77 W82 I84	F45-G80 WeakPolarHBondContact CB-O 3.23Å; F45-G80 WeakPolarHBondContact O-CA 3.33Å; G76-G80 PolarHBondContact O-N 3.33Å; F77-G80 PolarHBondContact O-N 2.83Å; G80-W82 VanDerWaalsContact C-N 3.28Å; G80-W82 PolarHBondContact O-N 3.1Å; G80-I84 WeakPolarHBondContact O-CB 3.36Å; G80-I84 VanDerWaalsContact O-CG2 3.28Å; G80-I84 WeakPolarHBondContact O-CG2 3.33Å; G80-I84 PolarHBondContact O-N 3.41Å
81	L	95.3	Very high	89.7	Confident	15 Å²	15	77.2 Å²	77.2	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-68.3	-26.9	171.3	-76.4	-172.5	0	0	0	113	F12 P22 F77 N78 E79 I84 Q85	F12-L81 HydrophobicContact CE1-CD2 4.01Å; F12-L81 HydrophobicContact CZ-CD2 4.41Å; P22-L81 HydrophobicContact CB-CD2 4.1Å; P22-L81 HydrophobicContact CG-CD2 3.96Å; P22-L81 HydrophobicContact CG-CG 4.3Å; F77-L81 HydrophobicContact CD1-CD1 4.02Å; F77-L81 HydrophobicContact CD1-CG 4.11Å; F77-L81 HydrophobicContact CE1-CD1 3.61Å; F77-L81 HydrophobicContact CE1-CD2 4.28Å; F77-L81 HydrophobicContact CE1-CG 3.84Å; F77-L81 WeakPolarHBondContact O-CG 3.35Å; F77-L81 PolarHBondContact O-N 3.5Å; N78-L81 PolarHBondContact O-N 2.68Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.31Å; L81-I84 WeakPolarHBondContact O-CG2 3.46Å; L81-Q85 WeakPolarHBondContact O-CG 3.45Å
82	W	94.9	Very high	88.4	Confident	143 Å²	143	75.9 Å²	75.9	54%	0.542	36%	0.363	S	S	.	.	H	α-helix	trans	-82.5	-44.2	175.1	-176.7	89.5	0	0	0	110.8	N78 E79 G80 I84 Q85 N86	N78-W82 PolarHBondContact O-N 2.79Å; N78-W82 VanDerWaalsContact O-N 3.14Å; E79-W82 CarbonylContact O-C 3.48Å; E79-W82 WeakPolarHBondContact O-CA 3.46Å; E79-W82 WeakPolarHBondContact O-CB 3.49Å; E79-W82 PolarHBondContact O-N 3.26Å; G80-W82 VanDerWaalsContact C-N 3.28Å; G80-W82 PolarHBondContact O-N 3.1Å; W82-I84 PolarHBondContact O-N 3.18Å; W82-Q85 PolarHBondContact O-N 3.14Å; W82-Q85 VanDerWaalsContact O-N 3.15Å; W82-N86 HydrophobicContact CD2-CB 4.37Å; W82-N86 HydrophobicContact CE3-CB 4.47Å; W82-N86 HydrophobicContact CH2-CB 4.07Å; W82-N86 HydrophobicContact CZ2-CB 3.96Å; W82-N86 HydrophobicContact CZ3-CB 4.33Å; W82-N86 PolarHBondContact NE1-ND2 2.82Å; W82-N86 PolarHBondContact O-N 3Å; W82-N86 PolarHBondContact O-ND2 3.31Å
83	E	94.8	Very high	86.3	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.047	38%	0.381	C	S	.	.	H	α-helix	trans	-59	-46.9	176.8	-75.3	179.1	-178.4	0	0	112.8	F45 G46 H48 E79 Q85 N86 N87	F45-E83 WeakPolarHBondContact CA-OE2 3.5Å; F45-E83 HydrophobicContact CB-CB 3.99Å; F45-E83 WeakPolarHBondContact CB-OE2 3.24Å; F45-E83 HydrophobicContact CD1-CB 3.76Å; F45-E83 WeakPolarHBondContact CD1-OE2 3.35Å; F45-E83 HydrophobicContact CG-CB 4.13Å; G46-E83 PolarHBondContact N-OE2 3.04Å; H48-E83 IonicContact CD2-OE1 3.5Å; H48-E83 IonicContact CD2-OE2 3.19Å; H48-E83 IonicContact CE1-OE1 2.63Å; H48-E83 PolarHBondContact CE1-OE1 2.83Å; H48-E83 VanDerWaalsContact NE2-CD 3.3Å; H48-E83 IonicContact NE2-OE1 2.73Å; H48-E83 PolarHBondContact NE2-OE1 2.87Å; H48-E83 IonicContact NE2-OE2 2.73Å; H48-E83 PolarHBondContact NE2-OE2 3.07Å; H48-E83 VanDerWaalsContact NE2-OE2 3.09Å; E79-E83 PolarHBondContact O-N 2.77Å; E83-Q85 PolarHBondContact O-N 2.76Å; E83-N86 PolarHBondContact O-N 3.24Å; E83-N87 CarbonylContact O-C 3.24Å; E83-N87 WeakPolarHBondContact O-CA 3.28Å; E83-N87 PolarHBondContact O-N 3.49Å
84	I	93.4	Very high	84	Confident	3 Å²	3	71 Å²	71	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-17.4	179.3	-164.2	160.7	0	0	0	113.3	L10 P22 A23 F45 Y61 G80 L81 W82	L10-I84 HydrophobicContact CB-CD1 4.34Å; L10-I84 HydrophobicContact CB-CG1 4.41Å; L10-I84 HydrophobicContact CD1-CG1 4.14Å; L10-I84 HydrophobicContact CD2-CG1 4.23Å; L10-I84 HydrophobicContact CG-CG1 4.5Å; P22-I84 HydrophobicContact CB-CB 4.19Å; P22-I84 HydrophobicContact CB-CD1 3.84Å; P22-I84 HydrophobicContact CB-CG2 3.92Å; A23-I84 WeakPolarHBondContact O-CD1 3.23Å; F45-I84 HydrophobicContact CD2-CB 3.65Å; F45-I84 HydrophobicContact CD2-CD1 3.82Å; F45-I84 HydrophobicContact CD2-CG1 3.85Å; F45-I84 HydrophobicContact CE2-CB 3.81Å; F45-I84 HydrophobicContact CE2-CD1 3.76Å; F45-I84 HydrophobicContact CE2-CG1 3.6Å; F45-I84 HydrophobicContact CG-CB 4.26Å; F45-I84 HydrophobicContact CZ-CG1 4.45Å; Y61-I84 HydrophobicContact CD2-CD1 3.38Å; Y61-I84 HydrophobicContact CD2-CG1 4.01Å; Y61-I84 HydrophobicContact CD2-CG2 4.46Å; Y61-I84 HydrophobicContact CE2-CB 4.41Å; Y61-I84 HydrophobicContact CE2-CD1 3.64Å; Y61-I84 HydrophobicContact CE2-CG1 3.93Å; Y61-I84 HydrophobicContact CE2-CG2 3.59Å; Y61-I84 HydrophobicContact CG-CD1 4.06Å; Y61-I84 HydrophobicContact CG-CG1 4.47Å; G80-I84 WeakPolarHBondContact O-CB 3.36Å; G80-I84 VanDerWaalsContact O-CG2 3.28Å; G80-I84 WeakPolarHBondContact O-CG2 3.33Å; G80-I84 PolarHBondContact O-N 3.41Å; L81-I84 WeakPolarHBondContact O-CG2 3.46Å; W82-I84 PolarHBondContact O-N 3.18Å
85	Q	91.2	Very high	81.3	Confident	126 Å²	126	71.9 Å²	71.9	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-97.7	-31.5	177.9	-67.5	-178.3	-5.6	0	0	113.6	Y61 L81 W82 E83	Y61-Q85 VanDerWaalsContact OH-CG 3.26Å; Y61-Q85 WeakPolarHBondContact OH-CG 3.3Å; Y61-Q85 PolarHBondContact OH-NE2 2.89Å; L81-Q85 WeakPolarHBondContact O-CG 3.45Å; W82-Q85 PolarHBondContact O-N 3.14Å; W82-Q85 VanDerWaalsContact O-N 3.15Å; E83-Q85 PolarHBondContact O-N 2.76Å
86	N	90.8	Very high	78.8	Confident	85 Å²	85	68.3 Å²	68.3	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-111.7	-37.6	-171.8	-62.1	-91.5	0	0	0	112.7	W82 E83	W82-N86 HydrophobicContact CD2-CB 4.37Å; W82-N86 HydrophobicContact CE3-CB 4.47Å; W82-N86 HydrophobicContact CH2-CB 4.07Å; W82-N86 HydrophobicContact CZ2-CB 3.96Å; W82-N86 HydrophobicContact CZ3-CB 4.33Å; W82-N86 PolarHBondContact NE1-ND2 2.82Å; W82-N86 PolarHBondContact O-N 3Å; W82-N86 PolarHBondContact O-ND2 3.31Å; E83-N86 PolarHBondContact O-N 3.24Å
87	N	86.9	Confident	76.3	Confident	59 Å²	59	72.6 Å²	72.6	32%	0.316	42%	0.416	S	S	.	.			trans	-123.2	39.5	-174.6	-66.2	-4.8	0	0	0	113.8	E83 H89 A90	E83-N87 CarbonylContact O-C 3.24Å; E83-N87 WeakPolarHBondContact O-CA 3.28Å; E83-N87 PolarHBondContact O-N 3.49Å; N87-H89 PolarHBondContact O-N 2.83Å; N87-A90 HydrophobicContact CB-CB 4.03Å; N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 3.09Å
88	P	84.7	Confident	73.3	Confident	25 Å²	25	82.2 Å²	82.2	16%	0.162	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.3	-170.3	21.7	-33.4	0	0	0	114.7	L10 R24 F45	L10-P88 HydrophobicContact CD1-CB 3.91Å; L10-P88 HydrophobicContact CD2-CB 3.83Å; L10-P88 HydrophobicContact CG-CB 4.48Å; R24-P88 PolarHBondContact NH1-O 2.77Å; F45-P88 WeakPolarHBondContact CZ-O 3.4Å
89	H	75.8	Confident	71	Confident	150 Å²	150	83.1 Å²	83.1	69%	0.694	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	6	-178.3	-56.4	-65.3	0	0	0	114.5	N87 S91	N87-H89 PolarHBondContact O-N 2.83Å; H89-S91 PolarHBondContact O-N 2.77Å
90	A	71.4	Confident	68.9	Low	30 Å²	30	84.1 Å²	84.1	25%	0.248	50%	0.498	C	S	.	.			trans	-66.2	124.2	179.7	0	0	0	0	0	111.3	R24 N87 Y92	R24-A90 VanDerWaalsContact CZ-O 3.28Å; R24-A90 PolarHBondContact NH1-O 3.19Å; R24-A90 PolarHBondContact NH2-O 3.07Å; N87-A90 HydrophobicContact CB-CB 4.03Å; N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 3.09Å; A90-Y92 HydrophobicContact CB-CD2 4.19Å; A90-Y92 HydrophobicContact CB-CE2 3.46Å; A90-Y92 VanDerWaalsContact CB-CE2 3.46Å; A90-Y92 WeakPolarHBondContact O-CD2 3.46Å
91	S	66.1	Low	66.3	Low	95 Å²	95	89 Å²	89	66%	0.664	53%	0.533	S	S	*	.			trans	-88.8	112.4	179.8	-171.8	0	0	0	0	110.8	H89	H89-S91 PolarHBondContact O-N 2.77Å
92	Y	67.2	Low	63.7	Low	86 Å²	86	92.9 Å²	92.9	34%	0.337	56%	0.56	S	S	.	*			trans	-111.4	41.4	175.6	-57.9	-79.7	0	0	0	110.4	F43 A90 A94	F43-Y92 HydrophobicContact CE1-CD2 4.36Å; F43-Y92 AromaticContact CZ-CD2 3.81Å; F43-Y92 HydrophobicContact CZ-CD2 3.81Å; F43-Y92 HydrophobicContact CZ-CG 4.32Å; A90-Y92 HydrophobicContact CB-CD2 4.19Å; A90-Y92 HydrophobicContact CB-CE2 3.46Å; A90-Y92 VanDerWaalsContact CB-CE2 3.46Å; A90-Y92 WeakPolarHBondContact O-CD2 3.46Å; Y92-A94 PolarHBondContact O-N 3.17Å
93	S	47.9	Very low	60.9	Low	96 Å²	96	92.6 Å²	92.6	67%	0.671	57%	0.57	S	S	*	*			trans	-61.1	87.2	-174.4	170.2	0	0	0	0	112.8
94	A	46.1	Very low	58	Low	73 Å²	73	96.5 Å²	96.5	60%	0.603	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-78.5	144.7	174.3	0	0	0	0	0	111.6	Y92	Y92-A94 PolarHBondContact O-N 3.17Å
95	P	34.8	Very low	55.7	Low	122 Å²	122	105.8 Å²	105.8	79%	0.792	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-58.4	140.9	167.3	-22.7	34.1	0	0	0	111.2	A97	P95-A97 PolarHBondContact O-N 2.85Å
96	P	40.4	Very low	52.9	Low	125 Å²	125	103.6 Å²	103.6	81%	0.812	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-67.4	130.6	-169.9	25.9	-34.9	0	0	0	112.8
97	A	40.3	Very low	50.2	Low	98 Å²	98	106 Å²	106	81%	0.81	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-81.8	143.7	175.2	0	0	0	0	0	112.2	P95	P95-A97 PolarHBondContact O-N 2.85Å
98	Q	32.9	Very low	47.7	Very low	204 Å²	204	110.9 Å²	110.9	95%	0.953	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-85.1	158.5	168.3	-62.7	-179	-69.4	0	0	110.5
99	A	46.6	Very low	45.3	Very low	95 Å²	95	114.1 Å²	114.1	79%	0.785	72%	0.715	S	S	*	*			trans	-132.7	158.6	-163.3	0	0	0	0	0	114.7
100	S	49.6	Very low	43.3	Very low	126 Å²	126	112 Å²	112	88%	0.881	72%	0.724	S	S	*	*			trans	72.9	154.5	177.8	-120.1	0	0	0	0	115.7
101	S	40.4	Very low	41.4	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	75%	0.751	S	S	*	*			cis	-147.2	175.3	10.7	62.8	0	0	0	0	115.2
102	S	41.2	Very low	39.7	Very low	95 Å²	95	113.4 Å²	113.4	66%	0.664	76%	0.755	S	S	*	*			trans	-35.8	166.2	144.8	-93.9	0	0	0	0	115.4
103	D	35.4	Very low	37.9	Very low	138 Å²	138	118.7 Å²	118.7	74%	0.738	78%	0.783	S	S	*	*			cis	-147.8	-148.7	10.9	-142.4	-94.4	0	0	0	115.1
104	S	34.7	Very low	37.1	Very low	91 Å²	91	118 Å²	118	64%	0.636	79%	0.791	S	S	*	*			trans	-98	161.6	-154.4	-51.6	0	0	0	0	118.8
105	E	44.6	Very low	36.2	Very low	199 Å²	199	118.3 Å²	118.3	93%	0.93	80%	0.802	S	S	*	*			trans	73.8	130	144.1	-79	177.4	169.6	0	0	125.2
106	G	32.9	Very low	36.1	Very low	79 Å²	79	117.2 Å²	117.2	81%	0.814	80%	0.803	S	S	*	*			trans	76.3	163.2	146.7	0	0	0	0	0	120.3
107	N	34.8	Very low	35.6	Very low	135 Å²	135	116.5 Å²	116.5	72%	0.722	80%	0.801	S	S	*	*			cis	-163.2	148.5	-36.2	-173.9	40.8	0	0	0	110
108	E	34.3	Very low	35.2	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	80%	0.801	S	S	*	*			trans	40.3	118.7	158.3	-79.8	170.1	149.1	0	0	125
109	A	33.8	Very low	35.2	Very low	93 Å²	93	116.9 Å²	116.9	77%	0.769	79%	0.791	S	S	*	*				91.2	126.1	114.5	0	0	0	0	0	124.4
110	A	34.1	Very low	34.5	Very low	106 Å²	106	120.9 Å²	120.9	88%	0.876	79%	0.793	S	S	*	*			trans	69.3	115.5	134.4	0	0	0	0	0	123.3
111	G	30.7	Very low	33.5	Very low	80 Å²	80	122.1 Å²	122.1	83%	0.825	79%	0.79	S	S	*	*				121.6	100.7	103	0	0	0	0	0	120.4
112	G	30.7	Very low	33.2	Very low	73 Å²	73	124.5 Å²	124.5	75%	0.753	80%	0.795	S	S	*	*			trans	72.5	170.2	154.4	0	0	0	0	0	118.4
113	E	30.7	Very low	32.7	Very low	197 Å²	197	127 Å²	127	92%	0.921	80%	0.801	S	S	*	*			cis	-167.5	144.8	-24.2	53.4	-174.1	87.7	0	0	112.3
114	G	29.2	Very low	32.6	Very low	81 Å²	81	129.8 Å²	129.8	84%	0.835	81%	0.809	S	S	*	*			trans	92.6	126.9	152.2	0	0	0	0	0	121.3
115	G	28	Very low	32.4	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	82%	0.817	S	S	*	*			trans	86.9	109.8	156.3	0	0	0	0	0	117.4
116	A	32	Very low	32	Very low	98 Å²	98	126.9 Å²	126.9	81%	0.81	80%	0.804	S	S	*	*			cis	112.7	85.3	6.2	0	0	0	0	0	116.3
117	S	31.6	Very low	32.4	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	80%	0.798	S	S	*	*			trans	176.7	122	148.8	20.8	0	0	0	0	107.2
118	D	31.1	Very low	32.3	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	80%	0.803	S	S	*	*				65.9	124.4	80.2	-77.1	178.4	0	0	0	112.2
119	E	33.3	Very low	33.1	Very low	157 Å²	157	125.7 Å²	125.7	73%	0.734	80%	0.801	S	S	*	*			cis	-150	155.6	8.8	-103.8	169.8	159.9	0	0	111.4
120	E	31.1	Very low	32.8	Very low	179 Å²	179	130.3 Å²	130.3	84%	0.836	81%	0.806	S	S	*	*			trans	53.1	144.8	149.8	-65.6	-175.8	178.6	0	0	122
121	D	30	Very low	32.5	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	81%	0.805	S	S	*	*			cis	-165.8	173.4	-16.3	-172.2	-147.6	0	0	0	109.9
122	D	32.5	Very low	32.3	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	80%	0.802	S	S	*	*			trans	77	132.6	171.1	-146.7	-143.2	0	0	0	118
123	D	31.1	Very low	32.1	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	80%	0.803	S	S	*	*			trans	-144.6	122.7	-166	-173.7	-86	0	0	0	111.8
124	E	33.7	Very low	32.3	Very low	196 Å²	196	134.4 Å²	134.4	92%	0.916	80%	0.796	S	S	*	*			trans	-126.7	111.8	168.4	-82.9	-156.8	127.1	0	0	111.1
125	D	30.6	Very low	32.2	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	79%	0.791	S	S	*	*				-164.3	-159	119.2	-161.9	-105.4	0	0	0	109.6
126	A	35.9	Very low	32.3	Very low	80 Å²	80	135.3 Å²	135.3	66%	0.661	79%	0.788	S	S	*	*			trans	-111.6	-146.6	-175.2	0	0	0	0	0	109
127	P	42.1	Very low	32.2	Very low	107 Å²	107	139.6 Å²	139.6	70%	0.695	79%	0.791	S	S	*	*			cis	-145.6	167.2	-8.5	43.7	-24.1	0	0	0	118
128	V	31.5	Very low	32.2	Very low	134 Å²	134	141.9 Å²	141.9	81%	0.812	79%	0.794	S	S	*	*			trans	69.1	-174	156.6	-125.9	0	0	0	0	119.9
129	P	52.5	Low	32.5	Very low	111 Å²	111	139.9 Å²	139.9	72%	0.721	78%	0.78	S	S	*	*				-136.9	171.7	-116.5	47.4	-28.8	0	0	0	120
130	Q	27.2	Very low	32.7	Very low	190 Å²	190	136.1 Å²	136.1	89%	0.888	77%	0.771	S	S	*	*			trans	-155	161.4	154.3	-70.2	-164.9	0.3	0	0	109.8
131	K	27.7	Very low	32.8	Very low	194 Å²	194	134.7 Å²	134.7	84%	0.843	77%	0.77	S	S	*	*			cis	-174.3	151.2	-40.9	-134.3	-171	-173.4	-175.4	0	107.6
132	A	26.2	Very low	33.2	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	77%	0.765	S	S	*	*			trans	62	166.3	174.6	0	0	0	0	0	115.6
133	D	26.9	Very low	33.3	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	76%	0.764	S	S	*	*			cis	-142.7	146.7	-12.2	-126.5	-164.3	0	0	0	105.4
134	S	33.4	Very low	33.3	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	77%	0.768	S	S	*	*			cis	74.1	106.9	46	-158.5	0	0	0	0	115.1
135	G	28.6	Very low	33.4	Very low	71 Å²	71	125.7 Å²	125.7	73%	0.732	76%	0.764	S	S	*	*			trans	94.4	159.6	169.1	0	0	0	0	0	116.8
136	S	28.8	Very low	33.7	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	75%	0.752	S	S	*	*			cis	-176.4	110.3	-18.4	48	0	0	0	0	111.2
137	E	31	Very low	33.9	Very low	189 Å²	189	130.6 Å²	130.6	88%	0.883	76%	0.762	S	S	*	*			trans	-163	122.2	162.9	43	-157.8	86.8	0	0	113.9
138	D	30.2	Very low	33.3	Very low	158 Å²	158	129 Å²	129	85%	0.845	76%	0.764	S	S	*	*			trans	171.4	119.7	140.5	-107.7	-163.9	0	0	0	103.9
139	E	37.8	Very low	33.5	Very low	110 Å²	110	134.8 Å²	134.8	51%	0.514	77%	0.772	S	S	.	*			cis	48.8	128.7	37.1	-56.4	-140.1	127.7	0	0	113.2	R349	E139-R349 VanDerWaalsContact CD-NH1 3.26Å; E139-R349 IonicContact OE1-CZ 2.76Å; E139-R349 IonicContact OE1-NH1 3.35Å; E139-R349 PolarHBondContact OE1-NH1 2.78Å; E139-R349 IonicContact OE1-NH2 2.96Å; E139-R349 IonicContact OE2-CZ 2.59Å; E139-R349 IonicContact OE2-NH1 2.66Å; E139-R349 PolarHBondContact OE2-NH1 3.38Å; E139-R349 IonicContact OE2-NH2 3.15Å; E139-R349 PolarHBondContact OE2-NH2 3.14Å
140	S	38.8	Very low	32.5	Very low	79 Å²	79	133.6 Å²	133.6	55%	0.552	78%	0.779	S	S	*	*			cis	-167.9	170.9	-17.5	-90.4	0	0	0	0	106.8
141	D	32.9	Very low	32.7	Very low	149 Å²	149	128.4 Å²	128.4	80%	0.797	78%	0.777	S	S	*	*			trans	66.8	164.5	156	-110.4	-135.8	0	0	0	116.9
142	S	37.8	Very low	32.9	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	77%	0.774	S	S	*	*			cis	-155.8	176.2	-9.3	-147.6	0	0	0	0	111.1
143	G	34.2	Very low	33.6	Very low	76 Å²	76	126.3 Å²	126.3	78%	0.784	78%	0.778	S	S	*	*			trans	101.4	103.9	143.6	0	0	0	0	0	118.1
144	S	31.2	Very low	33.9	Very low	128 Å²	128	128.9 Å²	128.9	90%	0.895	78%	0.782	S	S	*	*			trans	-146.9	140.8	147.1	-178.1	0	0	0	0	109.2
145	D	36.3	Very low	34.2	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	79%	0.792	S	S	*	*			trans	-93.2	177.3	-168.5	-133.1	-70.6	0	0	0	114.4
146	D	36.8	Very low	34.5	Very low	102 Å²	102	141.9 Å²	141.9	55%	0.545	80%	0.798	S	S	.	*			trans	-11.1	118.4	163.9	179.3	-130.8	0	0	0	119
147	R	39.2	Very low	35.2	Very low	230 Å²	230	142.4 Å²	142.4	87%	0.868	80%	0.799	S	S	*	*				-177	139.9	113.7	-100.7	137.5	-148	-157.5	5.9	114.1
148	G	30.5	Very low	35.2	Very low	73 Å²	73	143 Å²	143	75%	0.753	80%	0.802	S	S	*	*			trans	-107.4	159.1	-175.1	0	0	0	0	0	115.6
149	R	35	Very low	35.3	Very low	256 Å²	256	139.6 Å²	139.6	97%	0.966	80%	0.795	S	S	*	*			trans	-153.1	121.8	150.8	-125.9	-179.6	-173.7	-154.1	1.5	111.7
150	G	31.3	Very low	36.1	Very low	85 Å²	85	139.4 Å²	139.4	88%	0.876	80%	0.804	S	S	*	*			trans	-85.8	132.5	168.6	0	0	0	0	0	111
151	G	31.2	Very low	35.7	Very low	81 Å²	81	145.3 Å²	145.3	84%	0.835	82%	0.82	S	S	*	*			trans	-176.1	104.2	175.2	0	0	0	0	0	110.6
152	G	33.3	Very low	35.7	Very low	76 Å²	76	149.1 Å²	149.1	78%	0.784	82%	0.823	S	S	*	*			trans	-126.8	147.3	-171.2	0	0	0	0	0	113.8
153	I	39.9	Very low	36.5	Very low	166 Å²	166	148.7 Å²	148.7	85%	0.851	82%	0.818	S	S	*	*			trans	-122.7	132.7	166.2	-66.6	83.5	0	0	0	108.5
154	K	34.1	Very low	36.9	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	82%	0.818	S	S	*	*			trans	-94.7	135.5	173.7	-61.6	172.4	-177.6	170.2	0	110.1
155	R	40.3	Very low	37.9	Very low	252 Å²	252	150.4 Å²	150.4	95%	0.951	81%	0.812	S	S	*	*			trans	-153.5	162.3	151.2	-116.6	164.8	176.5	-178.2	-3.8	111.9
156	K	34.8	Very low	39	Very low	201 Å²	201	147.7 Å²	147.7	87%	0.874	80%	0.803	S	S	*	*			trans	-129.8	143.7	-152.4	-164.7	170.7	-178.1	175.4	0	111.4
157	P	42.1	Very low	39.3	Very low	120 Å²	120	151.5 Å²	151.5	78%	0.779	81%	0.814	S	S	*	*			trans	-84.1	167.3	-169.3	34.1	-38.4	0	0	0	114.5
158	Q	32.4	Very low	39.3	Very low	202 Å²	202	149.9 Å²	149.9	94%	0.944	81%	0.814	S	S	*	*			trans	-159.5	159.8	167.7	-116.2	175.1	111.6	0	0	113.6
159	A	31.7	Very low	39.5	Very low	86 Å²	86	150.9 Å²	150.9	71%	0.711	82%	0.815	S	S	*	*			trans	-163.7	-174.2	174.1	0	0	0	0	0	107.5
160	P	55.4	Low	39.5	Very low	107 Å²	107	150.9 Å²	150.9	70%	0.695	82%	0.815	S	S	*	*			cis	-133	-175.4	-20.5	24.8	-0.8	0	0	0	113.7
161	K	30	Very low	39.5	Very low	203 Å²	203	150.6 Å²	150.6	88%	0.883	81%	0.812	S	S	*	*			trans	132.7	145.7	136.3	-70	-178.3	179.4	-179.7	0	119.8
162	R	33.4	Very low	39.8	Very low	229 Å²	229	152.9 Å²	152.9	86%	0.864	82%	0.815	S	S	*	*			trans	-73.9	-173.9	168.2	-88.6	170.2	59.9	-156.8	0.3	113.7
163	P	52.9	Low	39.7	Very low	95 Å²	95	154.8 Å²	154.8	62%	0.617	82%	0.816	S	S	*	*			cis	-132.2	-167.5	-35.5	38.6	-19.4	0	0	0	112.3
164	P	42.8	Very low	39.5	Very low	122 Å²	122	151.4 Å²	151.4	79%	0.792	81%	0.808	S	S	*	*				-157	174.1	89.6	40.1	-19.2	0	0	0	118.3
165	P	53.2	Low	39.5	Very low	117 Å²	117	148.4 Å²	148.4	76%	0.76	80%	0.801	S	S	*	*			trans	-121.3	-149.6	170.3	45.4	-32.7	0	0	0	111.8
166	P	58	Low	39.3	Very low	98 Å²	98	147.9 Å²	147.9	64%	0.636	80%	0.799	S	S	*	*			cis	-140.2	-166	-14.3	35.4	-11.3	0	0	0	116.8
167	K	42.9	Very low	39.5	Very low	182 Å²	182	144.7 Å²	144.7	79%	0.791	79%	0.791	S	S	*	*			trans	88.5	154.6	158	-63	167.7	-178.3	172.2	0	119.3
168	K	39.1	Very low	39.2	Very low	196 Å²	196	147.2 Å²	147.2	85%	0.852	79%	0.793	S	S	*	*			cis	-167.2	146.6	-7.1	-122.8	-174.4	176.4	-167.1	0	114.5
169	A	35.6	Very low	39.2	Very low	94 Å²	94	145.4 Å²	145.4	78%	0.777	79%	0.785	S	S	*	*			trans	-176.1	139.5	142.6	0	0	0	0	0	107.8
170	R	35.7	Very low	39.2	Very low	256 Å²	256	149.7 Å²	149.7	97%	0.966	79%	0.79	S	S	*	*			cis	87.9	121.5	35.4	-158.5	-178.2	-162.8	-179.2	3.8	111.8
171	G	30	Very low	38.1	Very low	79 Å²	79	150.5 Å²	150.5	81%	0.814	80%	0.798	S	S	*	*			cis	-154.6	-157.3	4.9	0	0	0	0	0	113.9
172	S	37.4	Very low	38	Very low	128 Å²	128	144.3 Å²	144.3	90%	0.895	79%	0.792	S	S	*	*			trans	-126.6	160.4	-170.8	-160.3	0	0	0	0	112.8
173	S	31.9	Very low	38.2	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	79%	0.791	S	S	*	*			trans	-139	163.7	167.4	-164.3	0	0	0	0	109.9
174	S	35.8	Very low	37.9	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	79%	0.794	S	S	*	*			trans	-140.7	171	-167.5	59.1	0	0	0	0	114.2
175	D	34.3	Very low	37.5	Very low	138 Å²	138	138.3 Å²	138.3	74%	0.738	79%	0.788	S	S	*	*			trans	55.1	123.1	160.7	-61.4	-171.8	0	0	0	121
176	R	35.8	Very low	36.4	Very low	240 Å²	240	140.8 Å²	140.8	91%	0.906	79%	0.789	S	S	*	*				-168.7	169.7	108.3	-108.5	179	169.3	-165.8	-7.9	114.5
177	D	38.7	Very low	35.2	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	79%	0.792	S	S	*	*			trans	-119.2	177.9	-150.2	-41.6	-106.1	0	0	0	115.5
178	E	35.4	Very low	35	Very low	174 Å²	174	138.3 Å²	138.3	81%	0.813	79%	0.787	S	S	*	*			trans	76.6	117.7	151.5	-73.9	-166.6	153.7	0	0	123.5
179	E	34	Very low	35.4	Very low	164 Å²	164	134.8 Å²	134.8	77%	0.766	78%	0.784	S	S	*	*				92	147	124.6	-72.8	-51.8	138.1	0	0	126.7
180	E	31.5	Very low	35.5	Very low	175 Å²	175	136.4 Å²	136.4	82%	0.818	79%	0.785	S	S	*	*			trans	79.9	116.6	152.1	-160.9	154.7	106.5	0	0	123.8
181	S	31.7	Very low	35.3	Very low	124 Å²	124	129.1 Å²	129.1	87%	0.867	78%	0.779	S	S	*	*			trans	74.8	149.3	147.3	-162.7	0	0	0	0	121.6
182	G	27.8	Very low	35.6	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	78%	0.778	S	S	*	*			trans	136.1	46	158.3	0	0	0	0	0	120.9
183	S	38.1	Very low	35.3	Very low	121 Å²	121	134 Å²	134	85%	0.846	78%	0.779	S	S	*	*			trans	-93.2	162.5	154.4	-109.5	0	0	0	0	109.4
184	P	47.2	Very low	35.4	Very low	105 Å²	105	134 Å²	134	68%	0.682	78%	0.779	S	S	*	*			cis	-145.6	-177.8	29.3	44.6	-26.1	0	0	0	117.3
185	S	33.1	Very low	35.4	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	79%	0.785	S	S	*	*			trans	59.9	158.5	143	-68	0	0	0	0	120.7
186	E	31.4	Very low	35.5	Very low	169 Å²	169	134.8 Å²	134.8	79%	0.79	78%	0.784	S	S	*	*			cis	-168.6	171	-15.7	-108.6	169.7	83.7	0	0	107.2
187	S	32.8	Very low	35.3	Very low	101 Å²	101	127 Å²	127	71%	0.706	78%	0.778	S	S	*	*			cis	-158.1	172.9	-4.8	42.2	0	0	0	0	109.8
188	D	37.1	Very low	35.4	Very low	128 Å²	128	130.4 Å²	130.4	68%	0.684	79%	0.787	S	S	*	*			trans	-89.3	158.6	162.8	-140.6	-81.4	0	0	0	109.2	T190	D188-T190 PolarHBondContact OD1-N 2.98Å
189	P	48.8	Very low	35.3	Very low	122 Å²	122	129.1 Å²	129.1	79%	0.792	79%	0.785	S	S	*	*				-149.8	157.5	93.9	38.8	-21.7	0	0	0	117.4
190	T	37.5	Very low	35.3	Very low	127 Å²	127	125.8 Å²	125.8	78%	0.779	78%	0.781	S	S	*	*			trans	-71.5	152.8	169.9	58.3	0	0	0	0	114.9	D188	D188-T190 PolarHBondContact OD1-N 2.98Å
191	A	32.3	Very low	35.7	Very low	103 Å²	103	124 Å²	124	85%	0.851	78%	0.776	S	S	*	*			trans	-153.8	146.7	145.9	0	0	0	0	0	112
192	S	35.1	Very low	36.5	Very low	113 Å²	113	127.6 Å²	127.6	79%	0.79	78%	0.776	S	S	*	*			trans	-92.7	163.1	164.6	-58.3	0	0	0	0	109.8
193	E	30.8	Very low	37	Very low	198 Å²	198	129.9 Å²	129.9	93%	0.925	77%	0.771	S	S	*	*			trans	-163.7	168.7	135.7	-115.8	163.8	-163.3	0	0	113
194	S	33.9	Very low	37	Very low	116 Å²	116	133.8 Å²	133.8	81%	0.811	77%	0.773	S	S	*	*			trans	-140.5	161.3	-168.7	-69.6	0	0	0	0	112.5
195	D	35.8	Very low	36.8	Very low	146 Å²	146	134 Å²	134	78%	0.781	77%	0.773	S	S	*	*			trans	93	149.8	149.8	-157.4	-121.6	0	0	0	121.3
196	S	36.3	Very low	37.8	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	78%	0.775	S	S	*	*			trans	8.6	155.1	167.1	70.7	0	0	0	0	124.9
197	G	31.9	Very low	37.9	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	77%	0.77	S	S	*	*			trans	172.3	134.1	166.9	0	0	0	0	0	112.4
198	K	40.8	Very low	38.1	Very low	206 Å²	206	138.6 Å²	138.6	90%	0.896	78%	0.779	S	S	*	*			trans	-165.9	115.9	-173.2	175.9	179.8	177.2	178.3	0	114
199	N	33.8	Very low	38.2	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	78%	0.783	S	S	*	*			trans	-179.4	167.5	150.8	52.5	9.6	0	0	0	114
200	S	34.1	Very low	37.5	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	79%	0.786	S	S	*	*			trans	42.9	120.7	155	49.6	0	0	0	0	120.7
201	D	38.8	Very low	37.2	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	79%	0.788	S	S	*	*			cis	78.6	113.3	49.7	-170.3	-81.4	0	0	0	114.7
202	K	48.4	Very low	37.1	Very low	199 Å²	199	137 Å²	137	87%	0.865	78%	0.78	S	S	*	*			trans	-153.4	132.2	132.7	-79.4	-151.9	166.3	46.9	0	111.2
203	D	40	Very low	37	Very low	122 Å²	122	144 Å²	144	65%	0.652	79%	0.79	S	S	*	*			trans	-80.7	151.1	173	-148.5	-58.9	0	0	0	111.9
204	F	37.3	Very low	37	Very low	204 Å²	204	138.6 Å²	138.6	90%	0.895	79%	0.787	S	S	*	*			trans	-166.9	121	139.1	-130.1	-100.8	0	0	0	112.6
205	T	42.9	Very low	37	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.663	79%	0.787	S	S	*	*			trans	-100.7	-175.8	167.8	42.6	0	0	0	0	109
206	P	53.4	Low	37	Very low	107 Å²	107	139.6 Å²	139.6	70%	0.695	79%	0.792	S	S	*	*			cis	-148.5	-176.3	18	44.8	-23	0	0	0	119.2
207	E	34.8	Very low	36.9	Very low	149 Å²	149	144.3 Å²	144.3	70%	0.696	80%	0.8	S	S	*	*			trans	40.1	132.1	148.5	-78.3	-157.2	93	0	0	123.8
208	K	37.3	Very low	37.1	Very low	205 Å²	205	145.6 Å²	145.6	89%	0.891	80%	0.803	S	S	*	*				-163.5	173.1	90.3	-137.2	161.3	-175.3	167.5	0	114.3
209	K	37.9	Very low	36.6	Very low	176 Å²	176	139.6 Å²	139.6	77%	0.765	80%	0.8	S	S	*	*			trans	-114.2	144.6	-165.1	-57.2	171.8	-177	170.9	0	115.5
210	S	33.8	Very low	36.5	Very low	122 Å²	122	136 Å²	136	85%	0.853	80%	0.797	S	S	*	*			trans	176.6	143.6	135	45.2	0	0	0	0	108
211	G	31.3	Very low	36.6	Very low	80 Å²	80	143.5 Å²	143.5	83%	0.825	81%	0.811	S	S	*	*			cis	92.5	124.3	39.8	0	0	0	0	0	109.5
212	G	30.8	Very low	36.4	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	81%	0.813	S	S	*	*			cis	174.3	173	-1.8	0	0	0	0	0	110.7
213	R	33.5	Very low	36.1	Very low	261 Å²	261	139.6 Å²	139.6	99%	0.985	81%	0.809	S	S	*	*			trans	71.1	149.7	-167	-53.9	170.2	164.9	167.6	-5.9	113.8
214	G	30.7	Very low	36	Very low	84 Å²	84	142.3 Å²	142.3	87%	0.866	82%	0.815	S	S	*	*			cis	146.2	139.4	-12.6	0	0	0	0	0	113.9
215	G	32.3	Very low	36.2	Very low	80 Å²	80	141.1 Å²	141.1	83%	0.825	81%	0.809	S	S	*	*			trans	127.4	105	159.7	0	0	0	0	0	120.1
216	K	37	Very low	36.1	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	82%	0.82	S	S	*	*			trans	23.5	115.3	144.7	-66.6	179.5	174.9	178.1	0	122.8
217	K	34.5	Very low	35.1	Very low	202 Å²	202	144.1 Å²	144.1	88%	0.878	82%	0.822	S	S	*	*				60.4	137.3	108.2	-140.1	-174	-168.6	-174.5	0	122.7
218	A	35	Very low	35.6	Very low	104 Å²	104	142.5 Å²	142.5	86%	0.86	83%	0.828	S	S	*	*			trans	69.2	157.5	163.7	0	0	0	0	0	116.4
219	G	30.7	Very low	35.4	Very low	80 Å²	80	137.2 Å²	137.2	83%	0.825	82%	0.817	S	S	*	*			cis	179.8	159	-4.9	0	0	0	0	0	106.5
220	G	32.5	Very low	35.4	Very low	71 Å²	71	136 Å²	136	73%	0.732	82%	0.818	S	S	*	*			cis	126.8	131.1	31.9	0	0	0	0	0	109.7
221	R	35	Very low	35.7	Very low	251 Å²	251	134.4 Å²	134.4	95%	0.947	81%	0.807	S	S	*	*			trans	78.7	123.8	165	-46.4	171.1	92.2	176	10.8	120.8
222	G	34.8	Very low	36.2	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	80%	0.804	S	S	*	*				117.2	163.8	127.6	0	0	0	0	0	119
223	K	41.5	Very low	36.5	Very low	180 Å²	180	139.4 Å²	139.4	78%	0.783	81%	0.808	S	S	*	*			cis	-172.8	165.4	-10	-145.7	177.4	-179.7	176.9	0	111.9
224	K	38.6	Very low	36.9	Very low	178 Å²	178	135 Å²	135	77%	0.774	80%	0.799	S	S	*	*			trans	81.5	155.2	158.6	-64.4	168.3	179	172.8	0	116.7
225	K	40.8	Very low	37.2	Very low	179 Å²	179	136.3 Å²	136.3	78%	0.778	80%	0.795	S	S	*	*			cis	-156.6	148.3	7.6	-138.6	176.4	178.3	-168.6	0	114.5
226	K	41.3	Very low	37.4	Very low	206 Å²	206	135.8 Å²	135.8	90%	0.896	79%	0.789	S	S	*	*			trans	14.3	154.7	150	-69.9	-164.7	164.7	-156.9	0	122.3
227	G	32.4	Very low	37.4	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	79%	0.793	S	S	*	*			cis	-175.4	-165.7	6.7	0	0	0	0	0	109.3
228	S	45.8	Very low	37.5	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	78%	0.783	S	S	*	*			cis	-158.9	-156.3	-6.3	42.7	0	0	0	0	107.3
229	S	33.7	Very low	37.7	Very low	95 Å²	95	126.8 Å²	126.8	66%	0.664	78%	0.781	S	S	*	*			cis	-164.3	-171.9	12	-14.2	0	0	0	0	112
230	D	36.4	Very low	37.9	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	77%	0.774	S	S	*	*			trans	-35.5	162.2	168.1	-46.7	-112.5	0	0	0	117.8
231	S	40.6	Very low	38	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	77%	0.772	S	S	*	*			cis	174.8	172.6	-10.8	-88.9	0	0	0	0	109.1
232	D	41.4	Very low	37.8	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	77%	0.769	S	S	*	*			cis	-171.3	167.6	-29	-83	-30.9	0	0	0	110.7
233	S	38.3	Very low	37.6	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	77%	0.771	S	S	*	*			trans	73.2	153.6	161.1	-65	0	0	0	0	121.5
234	E	42.5	Very low	37.2	Very low	167 Å²	167	128.4 Å²	128.4	78%	0.78	77%	0.768	S	S	*	*			cis	-162.8	163.4	2.7	-131.5	-170.9	125.2	0	0	115.9
235	S	35.5	Very low	36.7	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	77%	0.772	S	S	*	*			trans	61.6	151.2	154.5	-75.1	0	0	0	0	122.6
236	G	38	Very low	36.4	Very low	68 Å²	68	123.9 Å²	123.9	70%	0.701	77%	0.768	S	S	*	*			cis	162.2	144.5	-12.1	0	0	0	0	0	116
237	S	35.2	Very low	36.1	Very low	138 Å²	138	120.8 Å²	120.8	97%	0.965	76%	0.762	S	S	*	*			trans	66.3	157.4	169.4	-66.7	0	0	0	0	120.5
238	G	37.3	Very low	36.1	Very low	65 Å²	65	122.4 Å²	122.4	67%	0.67	76%	0.762	S	S	*	*			cis	152	147.9	-12	0	0	0	0	0	116.3
239	S	38.5	Very low	35.9	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	77%	0.766	S	S	*	*			trans	73.8	158.6	161.4	81.6	0	0	0	0	120.5
240	E	36.4	Very low	36.1	Very low	142 Å²	142	127.2 Å²	127.2	66%	0.664	77%	0.765	S	S	*	*			cis	-169.5	164.4	-26.1	-107.8	-159.6	116.3	0	0	114
241	K	34.1	Very low	36	Very low	158 Å²	158	128.3 Å²	128.3	69%	0.687	77%	0.765	S	S	*	*			trans	64.7	106.3	145.6	-73.9	163.4	175.6	137.3	0	125.3
242	K	31.6	Very low	36.2	Very low	208 Å²	208	130.8 Å²	130.8	90%	0.904	76%	0.764	S	S	*	*				64.6	153.4	109.4	-127.4	-173	-175.6	-172.7	0	124.3
243	A	29.6	Very low	36.6	Very low	98 Å²	98	130.5 Å²	130.5	81%	0.81	77%	0.77	S	S	*	*			trans	79.4	153.7	165.4	0	0	0	0	0	117.6
244	A	32.5	Very low	36.6	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	77%	0.774	S	S	*	*			cis	-169.1	172.6	-23.6	0	0	0	0	0	110
245	D	28.7	Very low	37.1	Very low	163 Å²	163	134.3 Å²	134.3	87%	0.872	78%	0.777	S	S	*	*			trans	57.9	-175.2	166.7	-93.2	-121.8	0	0	0	118.9
246	S	35.7	Very low	37	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	77%	0.77	S	S	*	*				-165.1	155.2	-70.6	-160.4	0	0	0	0	112
247	D	33	Very low	36.9	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	78%	0.78	S	S	*	*			trans	62.3	150.4	152.6	-144.6	-114.7	0	0	0	125.1
248	S	33.3	Very low	36.7	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	77%	0.772	S	S	*	*			trans	76.5	171.3	151.7	-86.3	0	0	0	0	124.4
249	E	41.9	Very low	36.3	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	77%	0.77	S	S	*	*			trans	-122.6	176.4	-149.5	-54.5	-172.1	97.4	0	0	117.9
250	D	38	Very low	36.2	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	77%	0.77	S	S	*	*			trans	49.2	130.4	160.3	-147	-105.6	0	0	0	121.8	K252	D250-K252 IonicContact OD1-NZ 3.3Å; D250-K252 PolarHBondContact OD1-NZ 3.14Å; D250-K252 IonicContact OD2-NZ 3.28Å; D250-K252 PolarHBondContact OD2-NZ 2.83Å; D250-K252 VanDerWaalsContact OD2-NZ 3.15Å
251	E	33.8	Very low	36	Very low	171 Å²	171	139 Å²	139	80%	0.799	78%	0.783	S	S	*	*				-171.8	169.6	122	-101.8	-100.7	54	0	0	111.4
252	K	44.2	Very low	35.9	Very low	141 Å²	141	136.7 Å²	136.7	61%	0.613	79%	0.786	S	S	*	*			trans	-111.9	170.9	-176	-63.7	162.3	-164.3	61.4	0	111.5	D250	D250-K252 IonicContact OD1-NZ 3.3Å; D250-K252 PolarHBondContact OD1-NZ 3.14Å; D250-K252 IonicContact OD2-NZ 3.28Å; D250-K252 PolarHBondContact OD2-NZ 2.83Å; D250-K252 VanDerWaalsContact OD2-NZ 3.15Å
253	P	50.8	Low	36	Very low	134 Å²	134	135.3 Å²	135.3	87%	0.87	78%	0.783	S	S	*	*				-143.4	175.9	99.4	27.9	-7.6	0	0	0	115.5
254	R	37.6	Very low	36	Very low	232 Å²	232	136.6 Å²	136.6	88%	0.875	79%	0.786	S	S	*	*			trans	-100.3	159.5	-179.5	-73.6	175.4	153.4	-163.3	-4.5	112.9
255	P	52.3	Low	35.9	Very low	128 Å²	128	136.1 Å²	136.1	83%	0.831	79%	0.789	S	S	*	*				-144.8	176.7	101.5	29.5	-10.2	0	0	0	114.7
256	A	35.1	Very low	36	Very low	80 Å²	80	133.9 Å²	133.9	66%	0.661	79%	0.786	S	S	*	*			cis	-173	141.2	-37.7	0	0	0	0	0	111.4
257	L	35.9	Very low	35.8	Very low	174 Å²	174	139.1 Å²	139.1	91%	0.911	80%	0.797	S	S	*	*			trans	66.7	160.2	165.9	-49.7	174.5	0	0	0	116.9
258	S	30.3	Very low	35.8	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	79%	0.79	S	S	*	*			cis	-155.3	158.1	5.1	-157.4	0	0	0	0	112.8
259	G	29.7	Very low	35.8	Very low	61 Å²	61	139.5 Å²	139.5	63%	0.629	79%	0.792	S	S	*	*			trans	76.2	141.4	169	0	0	0	0	0	116.1
260	S	35.3	Very low	35.3	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	78%	0.783	S	S	*	*			cis	65.4	138.9	22.6	-43.9	0	0	0	0	113.2
261	E	31.7	Very low	35.1	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	79%	0.792	S	S	*	*			cis	-135.4	-152	26.3	-65.6	178.7	96.1	0	0	114.8
262	S	33.6	Very low	35.1	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	79%	0.793	S	S	*	*			trans	-125.7	-169.9	-159.7	69.6	0	0	0	0	114.8
263	Q	33.6	Very low	34.5	Very low	180 Å²	180	135.6 Å²	135.6	84%	0.841	80%	0.801	S	S	*	*			trans	88.6	127.5	-179.1	-54.5	-162.9	-11.1	0	0	114.7
264	S	29.8	Very low	34.9	Very low	124 Å²	124	133.7 Å²	133.7	87%	0.867	79%	0.789	S	S	*	*			cis	84.5	123.1	43.2	-169.1	0	0	0	0	112.9
265	G	29	Very low	36	Very low	76 Å²	76	128 Å²	128	78%	0.784	78%	0.782	S	S	*	*			trans	155.5	99.8	178.1	0	0	0	0	0	115.1
266	S	32	Very low	36.2	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	78%	0.779	S	S	*	*			trans	-61.8	148.9	173.9	-37.3	0	0	0	0	113.9
267	K	30.1	Very low	36.9	Very low	209 Å²	209	135.3 Å²	135.3	91%	0.909	79%	0.791	S	S	*	*				-178.6	168.9	117.7	-102.9	175.5	-179.1	-176.3	0	115.1
268	S	33.6	Very low	37.1	Very low	87 Å²	87	137.6 Å²	137.6	61%	0.608	79%	0.793	S	S	*	*			trans	-117.4	-179.3	-175.7	40.3	0	0	0	0	112.4
269	E	33	Very low	37.3	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	79%	0.79	S	S	*	*			trans	70.8	125.6	150.9	72	-141.4	58.1	0	0	124.7
270	S	32.8	Very low	38.4	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	80%	0.796	S	S	*	*			trans	58.1	117	141.9	-94.6	0	0	0	0	125.8
271	E	32.5	Very low	38.5	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	80%	0.795	S	S	*	*				84.4	151.3	120	-121.4	165.4	117.7	0	0	124
272	S	35	Very low	39.6	Very low	118 Å²	118	136 Å²	136	83%	0.825	78%	0.782	S	S	*	*			trans	85.1	162.9	164.3	-64.1	0	0	0	0	121.1
273	D	30.6	Very low	39.9	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	79%	0.786	S	S	*	*			trans	-135.9	-165.7	-152.2	-166.3	-130.9	0	0	0	109.8
274	P	59.3	Low	40.2	Very low	95 Å²	95	141.7 Å²	141.7	62%	0.617	78%	0.784	S	S	*	*				-107	-134.4	-83.8	41.3	-27.9	0	0	0	112.5
275	P	61.7	Low	40.7	Very low	113 Å²	113	143.2 Å²	143.2	73%	0.734	78%	0.775	S	S	*	*				-111	-136.4	-67.8	36.2	-15	0	0	0	109.2
276	P	56.7	Low	41	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	77%	0.766	S	S	*	*			cis	-129.2	174.4	-27.7	38.9	-22.1	0	0	0	115.9
277	R	48.6	Very low	41.1	Very low	242 Å²	242	149.5 Å²	149.5	91%	0.913	77%	0.768	S	S	*	*			trans	-95.3	152.1	160.9	-80.4	-177	165.3	-155.2	-3.1	112.1
278	K	40.9	Very low	41.5	Very low	222 Å²	222	144.2 Å²	144.2	97%	0.965	76%	0.763	S	S	*	*			trans	-166.8	143.7	150.5	-113.8	165.1	-171.8	173.9	0	114.5
279	G	33.2	Very low	41.6	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	77%	0.772	S	S	*	*			trans	-171.6	139.2	167.9	0	0	0	0	0	110.5
280	P	53.2	Low	42.4	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	77%	0.771	S	S	*	*			trans	-143.3	145.6	-144.8	38.1	-16.8	0	0	0	120.7
281	Q	37.6	Very low	43	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	78%	0.778	S	S	*	*			trans	68.1	-178.9	139.7	-69.6	-68.2	-43.8	0	0	117.1
282	P	55.4	Low	43.8	Very low	99 Å²	99	144 Å²	144	64%	0.643	78%	0.776	S	S	*	*			cis	-139.2	161.1	2.6	29.1	-5.1	0	0	0	120.7
283	R	40.2	Very low	44	Very low	223 Å²	223	149.4 Å²	149.4	84%	0.842	78%	0.778	S	S	*	*			trans	72.9	147.4	144.6	-78.6	166.7	169.8	179.8	-4.8	119.3
284	K	39.5	Very low	44.5	Very low	183 Å²	183	146.4 Å²	146.4	80%	0.796	77%	0.774	S	S	*	*			cis	-146.6	-172	8.8	-102.5	160.4	-176	175.2	0	107
285	K	39	Very low	43.5	Very low	157 Å²	157	154 Å²	154	68%	0.683	79%	0.79	S	S	*	*			cis	-165.3	172.9	-8.7	-113.5	-148.7	176.1	-147.2	0	104.7
286	E	37.1	Very low	42.3	Very low	130 Å²	130	158 Å²	158	61%	0.607	80%	0.796	S	S	*	*			cis	-174.5	169.9	-25.5	-167.1	172.5	80.1	0	0	110.1
287	K	32.5	Very low	42.1	Very low	193 Å²	193	158 Å²	158	84%	0.839	80%	0.796	S	S	*	*			trans	71.7	149.3	171	-66.2	-168.8	175.7	-177.4	0	119.8
288	A	38.6	Very low	41.7	Very low	98 Å²	98	156 Å²	156	81%	0.81	79%	0.794	S	S	*	*				-168.7	149.7	-99.4	0	0	0	0	0	116.8
289	A	37.2	Very low	41.9	Very low	97 Å²	97	151.7 Å²	151.7	80%	0.802	79%	0.788	S	S	*	*			trans	64.1	166.1	146.1	0	0	0	0	0	120.3
290	P	49.2	Very low	42	Very low	119 Å²	119	152.6 Å²	152.6	77%	0.773	79%	0.79	S	S	*	*			cis	-140.1	159.5	11.4	42.3	-23	0	0	0	121.2
291	K	44.3	Very low	41.6	Very low	192 Å²	192	152.3 Å²	152.3	84%	0.835	79%	0.788	S	S	*	*			trans	13.8	157.6	139.4	-74.7	169.1	-175.7	170	0	122.6
292	P	49.6	Very low	41.6	Very low	120 Å²	120	149.6 Å²	149.6	78%	0.779	78%	0.783	S	S	*	*			cis	-132.9	-175.5	38.3	43.1	-25.6	0	0	0	115.1
293	R	40.4	Very low	40.8	Very low	232 Å²	232	154.1 Å²	154.1	88%	0.875	79%	0.792	S	S	*	*			cis	90.3	135.1	9.2	-168.7	-168.3	-173.1	-136	6.9	117.4
294	A	40	Very low	40.4	Very low	83 Å²	83	155.7 Å²	155.7	69%	0.686	80%	0.798	S	S	*	*			cis	179	151.2	-32.1	0	0	0	0	0	110.6
295	R	37.9	Very low	40.2	Very low	253 Å²	253	151 Å²	151	96%	0.955	79%	0.793	S	S	*	*			trans	165.9	172.7	147.9	-97.1	170.3	150.2	-174	-9.3	116
296	K	37.3	Very low	40.5	Very low	197 Å²	197	149.8 Å²	149.8	86%	0.857	80%	0.802	S	S	*	*			trans	-152	176.5	177.3	-75.7	-171.6	178	178.8	0	108.4
297	P	52.4	Low	40.3	Very low	120 Å²	120	148.9 Å²	148.9	78%	0.779	81%	0.81	S	S	*	*			cis	-140	-178.3	9.9	43.5	-23.5	0	0	0	119
298	K	39.4	Very low	40.7	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	81%	0.806	S	S	*	*			trans	-3.8	159.8	155.9	-72.3	-174.8	176.9	-175	0	121.9
299	P	46.7	Very low	40.7	Very low	131 Å²	131	145.3 Å²	145.3	85%	0.851	80%	0.803	S	S	*	*			cis	-137.1	-152.5	30.7	42.2	-21.4	0	0	0	117.7
300	A	34.3	Very low	40.7	Very low	89 Å²	89	146.3 Å²	146.3	74%	0.736	80%	0.804	S	S	*	*			trans	-111.5	-170.9	-167.8	0	0	0	0	0	112.1
301	P	45.8	Very low	40.4	Very low	112 Å²	112	147.6 Å²	147.6	73%	0.727	81%	0.805	S	S	*	*			cis	-154	-172.2	25.5	44.9	-21.1	0	0	0	120.8
302	T	37.4	Very low	40.1	Very low	114 Å²	114	144 Å²	144	70%	0.699	80%	0.804	S	S	*	*			trans	71.7	121.7	150.4	44.8	0	0	0	0	125.9
303	K	38.7	Very low	40.2	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	81%	0.808	S	S	*	*			trans	53.8	119.6	130.9	-60.6	176.8	180	-179.7	0	122.3
304	R	31.4	Very low	40.2	Very low	256 Å²	256	140 Å²	140	97%	0.966	80%	0.802	S	S	*	*				-164.4	-176.3	112.7	-127.9	177.2	164.4	-152.4	-6	113.4
305	A	34.7	Very low	40.7	Very low	83 Å²	83	143 Å²	143	69%	0.686	81%	0.806	S	S	*	*			trans	-95.9	164	-169.4	0	0	0	0	0	113.2
306	P	45.9	Very low	41.3	Very low	132 Å²	132	135.7 Å²	135.7	86%	0.857	79%	0.793	S	S	*	*			trans	-76.9	153.6	179.1	32.4	-36.8	0	0	0	113.4
307	S	33	Very low	41.9	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	78%	0.782	S	S	*	*			trans	-153.2	125.3	172.7	57.3	0	0	0	0	112.3
308	S	40.1	Very low	41.8	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	77%	0.772	S	S	*	*			trans	50.2	130.1	148.6	-153.5	0	0	0	0	122.1
309	S	39.9	Very low	42.4	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	76%	0.758	S	S	*	*			trans	52.7	115.7	138.2	61.1	0	0	0	0	121.3
310	S	36.9	Very low	42.7	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	75%	0.751	S	S	*	*				-165.1	145.6	115.9	-171.2	0	0	0	0	110.3
311	D	42.2	Very low	43.5	Very low	146 Å²	146	130.9 Å²	130.9	78%	0.781	75%	0.746	S	S	*	*			trans	-63.7	150.2	169.3	-69.3	-111.7	0	0	0	112.7
312	S	38.8	Very low	44.2	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	73%	0.731	S	S	*	*			trans	-165.7	111.7	149.6	-76.9	0	0	0	0	109
313	D	50	Low	45	Very low	164 Å²	164	129 Å²	129	88%	0.877	73%	0.726	S	S	*	*			trans	-60.5	135.7	166	-100.9	-70.7	0	0	0	110.5
314	S	40.9	Very low	46.3	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	72%	0.715	S	S	*	*			trans	-158.4	92.3	167	-78.3	0	0	0	0	108.2	S316	S314-S316 PolarHBondContact O-N 3.25Å
315	D	51.6	Low	48.3	Very low	145 Å²	145	121.2 Å²	121.2	78%	0.775	69%	0.694	S	S	*	*			trans	-55.3	127.7	173.9	-169.3	-66.5	0	0	0	110
316	S	49.8	Very low	50.3	Low	99 Å²	99	124.1 Å²	124.1	69%	0.692	69%	0.692	S	S	*	*			trans	-163.6	93.9	171.5	-79.6	0	0	0	0	108	S314 P318	S314-S316 PolarHBondContact O-N 3.25Å; S316-P318 VanDerWaalsContact C-CD 3.41Å; S316-P318 WeakPolarHBondContact O-CD 3.09Å
317	E	50.6	Low	51.6	Low	131 Å²	131	125.2 Å²	125.2	61%	0.612	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	101.8	167.3	-70.8	-141	101.7	0	0	111.5	R320	E317-R320 WeakPolarHBondContact OE1-CD 3.31Å; E317-R320 IonicContact OE1-CZ 2.24Å; E317-R320 IonicContact OE1-NE 3.69Å; E317-R320 PolarHBondContact OE1-NE 3.35Å; E317-R320 IonicContact OE1-NH1 2.75Å; E317-R320 PolarHBondContact OE1-NH1 3.09Å; E317-R320 IonicContact OE2-NH1 3.44Å
318	P	48.8	Very low	53.7	Low	90 Å²	90	124.1 Å²	124.1	58%	0.584	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	-15.5	137.8	36.9	-30	0	0	0	113.3	S316 R320 I321	S316-P318 VanDerWaalsContact C-CD 3.41Å; S316-P318 WeakPolarHBondContact O-CD 3.09Å; P318-R320 PolarHBondContact O-N 2.85Å; P318-I321 PolarHBondContact O-N 3.35Å
319	D	53.6	Low	55.6	Low	105 Å²	105	124 Å²	124	56%	0.561	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-14.4	-160.8	-132.8	0.7	0	0	0	114.7	I321 S322 E323	D319-I321 PolarHBondContact O-N 3.39Å; D319-I321 VanDerWaalsContact O-N 3.1Å; D319-S322 WeakPolarHBondContact O-CA 3.34Å; D319-S322 WeakPolarHBondContact O-CB 3.34Å; D319-S322 PolarHBondContact O-N 2.85Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-OG 3.07Å; D319-E323 PolarHBondContact O-N 3.15Å
320	R	53.4	Low	57.7	Low	188 Å²	188	123.5 Å²	123.5	71%	0.709	64%	0.638	S	S	*	*	H	α-helix	trans	-55.1	-28.4	168.2	-80	-167.7	174.6	141.3	-10.4	112.3	E317 P318	E317-R320 WeakPolarHBondContact OE1-CD 3.31Å; E317-R320 IonicContact OE1-CZ 2.24Å; E317-R320 IonicContact OE1-NE 3.69Å; E317-R320 PolarHBondContact OE1-NE 3.35Å; E317-R320 IonicContact OE1-NH1 2.75Å; E317-R320 PolarHBondContact OE1-NH1 3.09Å; E317-R320 IonicContact OE2-NH1 3.44Å; P318-R320 PolarHBondContact O-N 2.85Å
321	I	49.5	Very low	59.6	Low	122 Å²	122	125 Å²	125	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-77.7	-23.3	176.5	-66.3	168.3	0	0	0	112.1	P318 D319 W324	P318-I321 PolarHBondContact O-N 3.35Å; D319-I321 PolarHBondContact O-N 3.39Å; D319-I321 VanDerWaalsContact O-N 3.1Å; I321-W324 PolarHBondContact O-NE1 3.3Å
322	S	60.4	Low	61.5	Low	58 Å²	58	125.4 Å²	125.4	41%	0.406	62%	0.616	S	S	.	*	H	α-helix	trans	-76.2	-42.1	170.3	-53.5	0	0	0	0	111.5	D319 K325 K326	D319-S322 WeakPolarHBondContact O-CA 3.34Å; D319-S322 WeakPolarHBondContact O-CB 3.34Å; D319-S322 PolarHBondContact O-N 2.85Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-OG 3.07Å; S322-K325 PolarHBondContact O-N 3.44Å; S322-K326 VanDerWaalsContact O-CB 3.22Å; S322-K326 WeakPolarHBondContact O-CB 3.5Å; S322-K326 PolarHBondContact O-N 3.44Å
323	E	54.6	Low	63.8	Low	127 Å²	127	128.2 Å²	128.2	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-67.5	-46.6	-171	-67.6	-134.6	116.7	0	0	113.8	D319 K325 K326 R327	D319-E323 PolarHBondContact O-N 3.15Å; E323-K325 VanDerWaalsContact C-N 3.29Å; E323-K325 PolarHBondContact O-N 2.77Å; E323-K326 PolarHBondContact O-N 2.99Å; E323-R327 WeakPolarHBondContact O-CB 3.32Å; E323-R327 PolarHBondContact O-N 3.04Å
324	W	65.6	Low	65.5	Low	166 Å²	166	126.7 Å²	126.7	63%	0.629	60%	0.596	S	S	*	*	H	α-helix	trans	-61.6	-40.3	175.6	77.8	-73	0	0	0	111.2	I321 R327 D328	I321-W324 PolarHBondContact O-NE1 3.3Å; W324-R327 PolarHBondContact O-N 2.81Å; W324-D328 VanDerWaalsContact O-CB 3.31Å; W324-D328 WeakPolarHBondContact O-CB 3.29Å; W324-D328 PolarHBondContact O-N 2.86Å
325	K	74.3	Confident	67.1	Low	122 Å²	122	126.9 Å²	126.9	53%	0.53	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-42.7	179.7	-178	171.5	174.3	53.7	0	111.6	S322 E323 D328 E329	S322-K325 PolarHBondContact O-N 3.44Å; E323-K325 VanDerWaalsContact C-N 3.29Å; E323-K325 PolarHBondContact O-N 2.77Å; K325-D328 PolarHBondContact O-N 3.44Å; K325-E329 WeakPolarHBondContact O-CB 3.45Å; K325-E329 PolarHBondContact O-N 3.3Å
326	K	75.5	Confident	68.6	Low	145 Å²	145	125.8 Å²	125.8	63%	0.63	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-39.7	174.2	-177.2	-179.3	174.7	-168.5	0	111.4	S322 E323 E330	S322-K326 VanDerWaalsContact O-CB 3.22Å; S322-K326 WeakPolarHBondContact O-CB 3.5Å; S322-K326 PolarHBondContact O-N 3.44Å; E323-K326 PolarHBondContact O-N 2.99Å; K326-E330 WeakPolarHBondContact O-CB 3.47Å; K326-E330 PolarHBondContact O-N 2.98Å
327	R	74.9	Confident	70.5	Confident	154 Å²	154	127.2 Å²	127.2	58%	0.581	57%	0.574	S	S	*	*	H	α-helix	trans	-74.6	-29.9	177.4	-168.6	156.7	-146.2	66.2	20.6	113.4	E323 W324 E330 R331	E323-R327 WeakPolarHBondContact O-CB 3.32Å; E323-R327 PolarHBondContact O-N 3.04Å; W324-R327 PolarHBondContact O-N 2.81Å; R327-E330 IonicContact CZ-OE2 2.86Å; R327-E330 VanDerWaalsContact CZ-OE2 3.28Å; R327-E330 IonicContact NH1-OE2 3.06Å; R327-E330 PolarHBondContact NH1-OE2 3.46Å; R327-E330 IonicContact NH2-OE2 2.91Å; R327-E330 PolarHBondContact NH2-OE2 2.81Å; R327-R331 WeakPolarHBondContact O-CB 3.21Å; R327-R331 PolarHBondContact O-N 2.87Å
328	D	77	Confident	72.2	Confident	89 Å²	89	128.1 Å²	128.1	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-72.5	-41.7	173	-160.6	-117.9	0	0	0	111.2	W324 K325 R331 R332	W324-D328 VanDerWaalsContact O-CB 3.31Å; W324-D328 WeakPolarHBondContact O-CB 3.29Å; W324-D328 PolarHBondContact O-N 2.86Å; K325-D328 PolarHBondContact O-N 3.44Å; D328-R331 PolarHBondContact O-N 2.79Å; D328-R332 WeakPolarHBondContact O-CB 3.22Å; D328-R332 PolarHBondContact O-N 3.41Å
329	E	80.2	Confident	73.9	Confident	107 Å²	107	131.8 Å²	131.8	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-69.2	-34	174.1	-167.7	146.6	-131.8	0	0	112.4	K325 R333	K325-E329 WeakPolarHBondContact O-CB 3.45Å; K325-E329 PolarHBondContact O-N 3.3Å; E329-R333 VanDerWaalsContact O-CB 3.29Å; E329-R333 WeakPolarHBondContact O-CB 3.36Å; E329-R333 PolarHBondContact O-N 2.97Å
330	E	82.9	Confident	75.7	Confident	97 Å²	97	133.8 Å²	133.8	45%	0.453	58%	0.578	S	S	.	*	H	α-helix	trans	-61.1	-48.8	167.4	-179.3	170	-102.3	0	0	111.3	K326 R327 R332 R333 E334	K326-E330 WeakPolarHBondContact O-CB 3.47Å; K326-E330 PolarHBondContact O-N 2.98Å; R327-E330 IonicContact CZ-OE2 2.86Å; R327-E330 VanDerWaalsContact CZ-OE2 3.28Å; R327-E330 IonicContact NH1-OE2 3.06Å; R327-E330 PolarHBondContact NH1-OE2 3.46Å; R327-E330 IonicContact NH2-OE2 2.91Å; R327-E330 PolarHBondContact NH2-OE2 2.81Å; E330-R332 PolarHBondContact O-N 2.95Å; E330-R333 CarbonylContact O-C 3.58Å; E330-R333 WeakPolarHBondContact O-CB 3.43Å; E330-R333 PolarHBondContact O-N 3.43Å; E330-E334 WeakPolarHBondContact O-CB 3.34Å; E330-E334 PolarHBondContact O-N 3.34Å
331	R	77.6	Confident	77.5	Confident	149 Å²	149	131.6 Å²	131.6	56%	0.562	57%	0.573	S	S	*	*	H	α-helix	trans	-64.8	-36.5	178.1	-154.2	-165.7	-42.3	-132.5	6.7	112.7	R327 D328 E334 L335	R327-R331 WeakPolarHBondContact O-CB 3.21Å; R327-R331 PolarHBondContact O-N 2.87Å; D328-R331 PolarHBondContact O-N 2.79Å; R331-E334 PolarHBondContact O-N 3.24Å; R331-L335 PolarHBondContact O-N 3.37Å; R331-L335 VanDerWaalsContact O-N 3.1Å
332	R	82.2	Confident	79.4	Confident	154 Å²	154	130.4 Å²	130.4	58%	0.581	57%	0.565	S	S	*	*	H	α-helix	trans	-65.4	-41.3	174	-158.3	-170.3	88.3	-165.4	3.4	111.2	D328 E330 L335 E336	D328-R332 WeakPolarHBondContact O-CB 3.22Å; D328-R332 PolarHBondContact O-N 3.41Å; E330-R332 PolarHBondContact O-N 2.95Å; R332-L335 PolarHBondContact O-N 3.29Å; R332-E336 WeakPolarHBondContact O-CB 3.29Å; R332-E336 PolarHBondContact O-N 3.43Å
333	R	86.6	Confident	80.7	Confident	175 Å²	175	131.5 Å²	131.5	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-68.3	-36.7	176.1	-175.6	178.2	-179.2	163.3	2.3	112.3	E329 E330 E336 E337	E329-R333 VanDerWaalsContact O-CB 3.29Å; E329-R333 WeakPolarHBondContact O-CB 3.36Å; E329-R333 PolarHBondContact O-N 2.97Å; E330-R333 CarbonylContact O-C 3.58Å; E330-R333 WeakPolarHBondContact O-CB 3.43Å; E330-R333 PolarHBondContact O-N 3.43Å; R333-E336 PolarHBondContact O-N 2.24Å; R333-E337 VanDerWaalsContact O-CB 3.25Å; R333-E337 WeakPolarHBondContact O-CB 3.43Å; R333-E337 PolarHBondContact O-N 3.08Å
334	E	84.6	Confident	82.3	Confident	132 Å²	132	128.3 Å²	128.3	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-62.6	-42.6	174	-177.6	176.8	-151.5	0	0	111.5	E330 R331 E337 R338	E330-E334 WeakPolarHBondContact O-CB 3.34Å; E330-E334 PolarHBondContact O-N 3.34Å; R331-E334 PolarHBondContact O-N 3.24Å; E334-E337 PolarHBondContact O-N 3.04Å; E334-R338 VanDerWaalsContact O-CB 3.31Å; E334-R338 WeakPolarHBondContact O-CB 3.45Å; E334-R338 PolarHBondContact O-N 2.75Å
335	L	75.7	Confident	83.5	Confident	110 Å²	110	125.7 Å²	125.7	58%	0.576	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-42.8	173.2	-75.3	165.1	0	0	0	112.5	R331 R332 R338 R339	R331-L335 PolarHBondContact O-N 3.37Å; R331-L335 VanDerWaalsContact O-N 3.1Å; R332-L335 PolarHBondContact O-N 3.29Å; L335-R338 PolarHBondContact O-N 3.05Å; L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.4Å
336	E	83.1	Confident	84.2	Confident	122 Å²	122	124.7 Å²	124.7	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-37.9	177.7	-167.3	171.2	-173.8	0	0	111.9	R332 R333 K340	R332-E336 WeakPolarHBondContact O-CB 3.29Å; R332-E336 PolarHBondContact O-N 3.43Å; R333-E336 PolarHBondContact O-N 2.24Å; E336-K340 VanDerWaalsContact O-CB 3.22Å; E336-K340 WeakPolarHBondContact O-CB 3.44Å; E336-K340 PolarHBondContact O-N 2.82Å
337	E	88.9	Confident	84.8	Confident	128 Å²	128	123.6 Å²	123.6	60%	0.598	55%	0.552	S	S	*	*	H	α-helix	trans	-73.5	-36.3	174.4	-172.4	163.8	169	0	0	112.2	R333 E334 K340 K341	R333-E337 VanDerWaalsContact O-CB 3.25Å; R333-E337 WeakPolarHBondContact O-CB 3.43Å; R333-E337 PolarHBondContact O-N 3.08Å; E334-E337 PolarHBondContact O-N 3.04Å; E337-K340 PolarHBondContact O-N 3.2Å; E337-K341 VanDerWaalsContact O-CB 3.26Å; E337-K341 WeakPolarHBondContact O-CB 3.39Å; E337-K341 PolarHBondContact O-N 3.24Å
338	R	87.8	Confident	85.6	Confident	151 Å²	151	123 Å²	123	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-61.2	-53.3	172.7	-163.1	-157.9	105.4	169.5	8.1	110.3	E334 L335 K340 K341 E342	E334-R338 VanDerWaalsContact O-CB 3.31Å; E334-R338 WeakPolarHBondContact O-CB 3.45Å; E334-R338 PolarHBondContact O-N 2.75Å; L335-R338 PolarHBondContact O-N 3.05Å; R338-K340 VanDerWaalsContact C-N 3.32Å; R338-K340 PolarHBondContact O-N 3.3Å; R338-K341 WeakPolarHBondContact O-CB 3.25Å; R338-K341 PolarHBondContact O-N 2.73Å; R338-K341 VanDerWaalsContact O-N 3.1Å; R338-E342 IonicContact CZ-OE2 3.39Å; R338-E342 IonicContact NE-OE2 2.68Å; R338-E342 PolarHBondContact NE-OE2 3.44Å; R338-E342 IonicContact NH2-OE1 3.09Å; R338-E342 PolarHBondContact NH2-OE1 3.34Å; R338-E342 IonicContact NH2-OE2 3.23Å; R338-E342 PolarHBondContact NH2-OE2 3.13Å; R338-E342 WeakPolarHBondContact O-CB 3.35Å; R338-E342 PolarHBondContact O-N 3.04Å
339	R	84.4	Confident	86.4	Confident	166 Å²	166	124.4 Å²	124.4	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-55.5	-47	176.2	178	-174.7	158.7	160.6	4	111.3	L335 K341 E342 E343	L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.4Å; R339-K341 VanDerWaalsContact C-N 3.27Å; R339-K341 PolarHBondContact O-N 2.97Å; R339-E342 WeakPolarHBondContact O-CA 3.47Å; R339-E342 VanDerWaalsContact O-CB 3.24Å; R339-E342 WeakPolarHBondContact O-CB 3.48Å; R339-E342 PolarHBondContact O-N 3.42Å; R339-E342 VanDerWaalsContact O-N 3.14Å; R339-E343 IonicContact CZ-OE1 2.68Å; R339-E343 IonicContact NE-OE1 3.59Å; R339-E343 PolarHBondContact NE-OE1 3.1Å; R339-E343 IonicContact NH2-OE1 3.36Å; R339-E343 PolarHBondContact NH2-OE1 3.45Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 3.45Å
340	K	90.6	Very high	86.9	Confident	148 Å²	148	123.8 Å²	123.8	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-65.6	-29.4	179.6	-174.8	169	-174.3	167.7	0	113.4	E336 E337 R338 A344	E336-K340 VanDerWaalsContact O-CB 3.22Å; E336-K340 WeakPolarHBondContact O-CB 3.44Å; E336-K340 PolarHBondContact O-N 2.82Å; E337-K340 PolarHBondContact O-N 3.2Å; R338-K340 VanDerWaalsContact C-N 3.32Å; R338-K340 PolarHBondContact O-N 3.3Å; K340-A344 VanDerWaalsContact O-CB 3.26Å; K340-A344 WeakPolarHBondContact O-CB 3.46Å; K340-A344 PolarHBondContact O-N 3.34Å; K340-A344 VanDerWaalsContact O-N 3.13Å
341	K	91.9	Very high	87	Confident	141 Å²	141	127.9 Å²	127.9	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-74.1	-38.1	172.5	-176.1	-174.4	173.3	-166.3	0	111.4	E337 R338 R339 A344 E345	E337-K341 VanDerWaalsContact O-CB 3.26Å; E337-K341 WeakPolarHBondContact O-CB 3.39Å; E337-K341 PolarHBondContact O-N 3.24Å; R338-K341 WeakPolarHBondContact O-CB 3.25Å; R338-K341 PolarHBondContact O-N 2.73Å; R338-K341 VanDerWaalsContact O-N 3.1Å; R339-K341 VanDerWaalsContact C-N 3.27Å; R339-K341 PolarHBondContact O-N 2.97Å; K341-A344 PolarHBondContact O-N 3Å; K341-E345 VanDerWaalsContact O-CB 3.31Å; K341-E345 WeakPolarHBondContact O-CB 3.4Å; K341-E345 PolarHBondContact O-N 2.88Å
342	E	87.9	Confident	87.6	Confident	97 Å²	97	126.3 Å²	126.3	45%	0.453	56%	0.558	S	S	.	*	H	α-helix	trans	-59.5	-54.1	173.6	-144.8	154.9	164.4	0	0	109.9	R338 R339 A344 E345 E346	R338-E342 IonicContact CZ-OE2 3.39Å; R338-E342 IonicContact NE-OE2 2.68Å; R338-E342 PolarHBondContact NE-OE2 3.44Å; R338-E342 IonicContact NH2-OE1 3.09Å; R338-E342 PolarHBondContact NH2-OE1 3.34Å; R338-E342 IonicContact NH2-OE2 3.23Å; R338-E342 PolarHBondContact NH2-OE2 3.13Å; R338-E342 WeakPolarHBondContact O-CB 3.35Å; R338-E342 PolarHBondContact O-N 3.04Å; R339-E342 WeakPolarHBondContact O-CA 3.47Å; R339-E342 VanDerWaalsContact O-CB 3.24Å; R339-E342 WeakPolarHBondContact O-CB 3.48Å; R339-E342 PolarHBondContact O-N 3.42Å; R339-E342 VanDerWaalsContact O-N 3.14Å; E342-A344 VanDerWaalsContact C-N 3.29Å; E342-A344 PolarHBondContact O-N 2.73Å; E342-E345 PolarHBondContact O-N 3.39Å; E342-E345 VanDerWaalsContact O-N 3.11Å; E342-E346 WeakPolarHBondContact O-CB 3.34Å; E342-E346 PolarHBondContact O-N 2.96Å
343	E	87.4	Confident	87.9	Confident	82 Å²	82	125.1 Å²	125.1	38%	0.383	55%	0.554	S	S	.	*	H	α-helix	trans	-57.2	-36.8	173.2	-69.2	170.7	171.3	0	0	112.7	R339 L347	R339-E343 IonicContact CZ-OE1 2.68Å; R339-E343 IonicContact NE-OE1 3.59Å; R339-E343 PolarHBondContact NE-OE1 3.1Å; R339-E343 IonicContact NH2-OE1 3.36Å; R339-E343 PolarHBondContact NH2-OE1 3.45Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 3.45Å; E343-L347 VanDerWaalsContact O-CB 3.28Å; E343-L347 WeakPolarHBondContact O-CB 3.29Å; E343-L347 PolarHBondContact O-N 3.04Å
344	A	88.8	Confident	88.1	Confident	60 Å²	60	122.9 Å²	122.9	50%	0.496	55%	0.551	S	S	.	*	H	α-helix	trans	-77.1	-27.1	177.8	0	0	0	0	0	113.8	K340 K341 E342 R348	K340-A344 VanDerWaalsContact O-CB 3.26Å; K340-A344 WeakPolarHBondContact O-CB 3.46Å; K340-A344 PolarHBondContact O-N 3.34Å; K340-A344 VanDerWaalsContact O-N 3.13Å; K341-A344 PolarHBondContact O-N 3Å; E342-A344 VanDerWaalsContact C-N 3.29Å; E342-A344 PolarHBondContact O-N 2.73Å; A344-R348 WeakPolarHBondContact O-CB 3.43Å; A344-R348 PolarHBondContact O-N 3.35Å
345	E	91.5	Very high	88.3	Confident	110 Å²	110	123 Å²	123	51%	0.514	55%	0.549	S	S	.	.	H	α-helix	trans	-79.3	-38.1	174.8	-176.5	140.8	-138.8	0	0	110.8	K341 E342 R348 R349	K341-E345 VanDerWaalsContact O-CB 3.31Å; K341-E345 WeakPolarHBondContact O-CB 3.4Å; K341-E345 PolarHBondContact O-N 2.88Å; E342-E345 PolarHBondContact O-N 3.39Å; E342-E345 VanDerWaalsContact O-N 3.11Å; E345-R348 WeakPolarHBondContact O-CB 3.49Å; E345-R348 PolarHBondContact O-N 3.4Å; E345-R349 WeakPolarHBondContact O-CB 3.11Å; E345-R349 PolarHBondContact O-N 3.38Å
346	E	88.4	Confident	89	Confident	102 Å²	102	124.7 Å²	124.7	48%	0.477	55%	0.554	S	S	.	*	H	α-helix	trans	-59.8	-51.9	168.3	-176.1	-177.1	-158.7	0	0	111.5	E342 R348 R349 L350	E342-E346 WeakPolarHBondContact O-CB 3.34Å; E342-E346 PolarHBondContact O-N 2.96Å; E346-R348 PolarHBondContact O-N 3Å; E346-R349 CarbonylContact O-C 3.57Å; E346-R349 WeakPolarHBondContact O-CA 3.44Å; E346-R349 WeakPolarHBondContact O-CB 3.47Å; E346-R349 PolarHBondContact O-N 3.2Å; E346-L350 WeakPolarHBondContact O-CB 3.31Å; E346-L350 PolarHBondContact O-N 2.69Å
347	L	89.1	Confident	89.1	Confident	121 Å²	121	124.8 Å²	124.8	63%	0.634	55%	0.554	S	S	*	*	H	α-helix	trans	-60.3	-29	176.9	-172.8	65.6	0	0	0	112.3	E343 R351	E343-L347 VanDerWaalsContact O-CB 3.28Å; E343-L347 WeakPolarHBondContact O-CB 3.29Å; E343-L347 PolarHBondContact O-N 3.04Å; L347-R351 PolarHBondContact O-N 2.86Å
348	R	91.4	Very high	89.1	Confident	142 Å²	142	125.4 Å²	125.4	54%	0.536	56%	0.557	S	S	.	*	H	α-helix	trans	-73.9	-43.9	171.9	178.5	178.8	161.2	-99.7	-29	112.1	A344 E345 E346 L350 R351 E352	A344-R348 WeakPolarHBondContact O-CB 3.43Å; A344-R348 PolarHBondContact O-N 3.35Å; E345-R348 WeakPolarHBondContact O-CB 3.49Å; E345-R348 PolarHBondContact O-N 3.4Å; E346-R348 PolarHBondContact O-N 3Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 PolarHBondContact O-N 2.01Å; R348-R351 PolarHBondContact O-N 2.98Å; R348-E352 IonicContact CZ-OE2 3.64Å; R348-E352 IonicContact NH2-OE1 3.92Å; R348-E352 IonicContact NH2-OE2 2.81Å; R348-E352 PolarHBondContact NH2-OE2 2.87Å; R348-E352 WeakPolarHBondContact O-CB 3.24Å; R348-E352 PolarHBondContact O-N 3.15Å
349	R	93.4	Very high	89.1	Confident	119 Å²	119	124.7 Å²	124.7	45%	0.449	56%	0.56	S	S	.	*	H	α-helix	trans	-60.9	-38.1	175.1	-178	178.2	173.5	-139.4	4.1	111.1	E139 E345 E346 E352 R353	E139-R349 VanDerWaalsContact CD-NH1 3.26Å; E139-R349 IonicContact OE1-CZ 2.76Å; E139-R349 IonicContact OE1-NH1 3.35Å; E139-R349 PolarHBondContact OE1-NH1 2.78Å; E139-R349 IonicContact OE1-NH2 2.96Å; E139-R349 IonicContact OE2-CZ 2.59Å; E139-R349 IonicContact OE2-NH1 2.66Å; E139-R349 PolarHBondContact OE2-NH1 3.38Å; E139-R349 IonicContact OE2-NH2 3.15Å; E139-R349 PolarHBondContact OE2-NH2 3.14Å; E345-R349 WeakPolarHBondContact O-CB 3.11Å; E345-R349 PolarHBondContact O-N 3.38Å; E346-R349 CarbonylContact O-C 3.57Å; E346-R349 WeakPolarHBondContact O-CA 3.44Å; E346-R349 WeakPolarHBondContact O-CB 3.47Å; E346-R349 PolarHBondContact O-N 3.2Å; R349-E352 PolarHBondContact O-N 3.2Å; R349-R353 WeakPolarHBondContact O-CB 3.19Å; R349-R353 PolarHBondContact O-N 3.41Å
350	L	91.6	Very high	89.3	Confident	93 Å²	93	123.2 Å²	123.2	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-65	-46.8	175.3	-169.6	65.1	0	0	0	111.9	E346 R348 E352 R353 E354	E346-L350 WeakPolarHBondContact O-CB 3.31Å; E346-L350 PolarHBondContact O-N 2.69Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 PolarHBondContact O-N 2.01Å; L350-E352 VanDerWaalsContact C-N 3.29Å; L350-E352 PolarHBondContact O-N 3.34Å; L350-R353 PolarHBondContact O-N 2.92Å; L350-E354 WeakPolarHBondContact O-CB 3.36Å; L350-E354 PolarHBondContact O-N 2.75Å
351	R	83.4	Confident	89.2	Confident	183 Å²	183	123.2 Å²	123.2	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-64.1	-30.6	173.1	173.1	171.1	-77.3	161.7	-2.3	113.3	L347 R348 K355	L347-R351 PolarHBondContact O-N 2.86Å; R348-R351 PolarHBondContact O-N 2.98Å; R351-K355 WeakPolarHBondContact O-CB 3.48Å; R351-K355 PolarHBondContact O-N 2.94Å
352	E	90.4	Very high	89.2	Confident	116 Å²	116	123.3 Å²	123.3	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-70.9	-41.3	175.7	-163.5	146	-156.9	0	0	110.5	R348 R349 L350 K355 E356	R348-E352 IonicContact CZ-OE2 3.64Å; R348-E352 IonicContact NH2-OE1 3.92Å; R348-E352 IonicContact NH2-OE2 2.81Å; R348-E352 PolarHBondContact NH2-OE2 2.87Å; R348-E352 WeakPolarHBondContact O-CB 3.24Å; R348-E352 PolarHBondContact O-N 3.15Å; R349-E352 PolarHBondContact O-N 3.2Å; L350-E352 VanDerWaalsContact C-N 3.29Å; L350-E352 PolarHBondContact O-N 3.34Å; E352-K355 PolarHBondContact O-N 3.33Å; E352-E356 PolarHBondContact O-N 3.04Å
353	R	89.3	Confident	89.2	Confident	130 Å²	130	125.1 Å²	125.1	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-64.9	-46.6	172.4	-172.4	-171.5	-68.6	142.6	-8.2	113.1	R349 L350 K355 E356 E357	R349-R353 WeakPolarHBondContact O-CB 3.19Å; R349-R353 PolarHBondContact O-N 3.41Å; L350-R353 PolarHBondContact O-N 2.92Å; R353-K355 PolarHBondContact O-N 3.16Å; R353-E356 PolarHBondContact O-N 3.42Å; R353-E357 PolarHBondContact O-N 3.41Å
354	E	89.5	Confident	89	Confident	128 Å²	128	124.3 Å²	124.3	60%	0.598	56%	0.564	S	S	*	*	H	α-helix	trans	-52	-45.1	174.5	175.8	-173.3	-147	0	0	111.1	L350 E357 E358	L350-E354 WeakPolarHBondContact O-CB 3.36Å; L350-E354 PolarHBondContact O-N 2.75Å; E354-E357 PolarHBondContact O-N 3.43Å; E354-E358 PolarHBondContact O-N 3.08Å
355	K	90.6	Very high	88.9	Confident	134 Å²	134	129 Å²	129	58%	0.583	57%	0.573	S	S	*	*	H	α-helix	trans	-72.4	-36.4	179.7	-170.2	-174	173.2	-159.5	0	113.1	R351 E352 R353 E357 E358 E359	R351-K355 WeakPolarHBondContact O-CB 3.48Å; R351-K355 PolarHBondContact O-N 2.94Å; E352-K355 PolarHBondContact O-N 3.33Å; R353-K355 PolarHBondContact O-N 3.16Å; K355-E357 VanDerWaalsContact C-N 3.32Å; K355-E358 PolarHBondContact O-N 3.12Å; K355-E359 PolarHBondContact O-N 3.44Å
356	E	89.1	Confident	88.5	Confident	145 Å²	145	130.4 Å²	130.4	68%	0.678	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-38.8	172.8	-174.4	174.2	-170.3	0	0	111.1	E352 R353 E359 K360	E352-E356 PolarHBondContact O-N 3.04Å; R353-E356 PolarHBondContact O-N 3.42Å; E356-E359 PolarHBondContact O-N 2.89Å; E356-K360 WeakPolarHBondContact O-CB 3.44Å; E356-K360 PolarHBondContact O-N 2.82Å
357	E	85.7	Confident	88	Confident	124 Å²	124	130.6 Å²	130.6	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-66.5	-42.1	173.6	-162.9	-170.7	140.2	0	0	112	R353 E354 K355 E359 K360 K361	R353-E357 PolarHBondContact O-N 3.41Å; E354-E357 PolarHBondContact O-N 3.43Å; K355-E357 VanDerWaalsContact C-N 3.32Å; E357-E359 VanDerWaalsContact C-N 3.34Å; E357-E359 PolarHBondContact O-N 3.01Å; E357-K360 PolarHBondContact O-N 3.35Å; E357-K361 WeakPolarHBondContact O-CB 3.25Å; E357-K361 PolarHBondContact O-N 3.11Å
358	E	88.3	Confident	87.2	Confident	142 Å²	142	126.5 Å²	126.5	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-59	-44.8	173.6	-165	-164.8	176.6	0	0	111.4	E354 K355 K361 K362	E354-E358 PolarHBondContact O-N 3.08Å; K355-E358 PolarHBondContact O-N 3.12Å; E358-K361 PolarHBondContact O-N 3.48Å; E358-K362 VanDerWaalsContact O-CB 3.28Å; E358-K362 WeakPolarHBondContact O-CB 3.34Å; E358-K362 PolarHBondContact O-N 2.9Å
359	E	89.1	Confident	86.3	Confident	135 Å²	135	126.1 Å²	126.1	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-66.3	-40.9	178.4	-169	170	148.3	0	0	111.9	K355 E356 E357 K362 K363	K355-E359 PolarHBondContact O-N 3.44Å; E356-E359 PolarHBondContact O-N 2.89Å; E357-E359 VanDerWaalsContact C-N 3.34Å; E357-E359 PolarHBondContact O-N 3.01Å; E359-K362 PolarHBondContact O-N 2.95Å; E359-K363 WeakPolarHBondContact O-CB 3.21Å; E359-K363 PolarHBondContact O-N 3.08Å
360	K	88.6	Confident	84.8	Confident	135 Å²	135	128.4 Å²	128.4	59%	0.587	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-50.1	173.6	-176.2	-176.6	176.5	-171.1	0	111.5	E356 E357 K362 K363 D364	E356-K360 WeakPolarHBondContact O-CB 3.44Å; E356-K360 PolarHBondContact O-N 2.82Å; E357-K360 PolarHBondContact O-N 3.35Å; K360-K362 VanDerWaalsContact C-N 3.28Å; K360-K362 PolarHBondContact O-N 3.12Å; K360-K363 WeakPolarHBondContact O-CB 3.4Å; K360-K363 PolarHBondContact O-N 2.63Å; K360-D364 PolarHBondContact O-N 2.94Å
361	K	88.6	Confident	83.1	Confident	149 Å²	149	129.3 Å²	129.3	65%	0.648	58%	0.583	S	S	*	*	H	α-helix	trans	-61	-36	178.3	-171.7	171.3	-171	165	0	112.1	E357 E358 K365	E357-K361 WeakPolarHBondContact O-CB 3.25Å; E357-K361 PolarHBondContact O-N 3.11Å; E358-K361 PolarHBondContact O-N 3.48Å; K361-K365 VanDerWaalsContact O-CB 3.26Å; K361-K365 WeakPolarHBondContact O-CB 3.36Å; K361-K365 PolarHBondContact O-N 3.35Å
362	K	90.6	Very high	81.7	Confident	143 Å²	143	124.5 Å²	124.5	62%	0.622	58%	0.578	S	S	*	*	H	α-helix	trans	-66.2	-46.3	171.1	-177.9	-176.6	174	-171.9	0	111.7	E358 E359 K360 K365 E366	E358-K362 VanDerWaalsContact O-CB 3.28Å; E358-K362 WeakPolarHBondContact O-CB 3.34Å; E358-K362 PolarHBondContact O-N 2.9Å; E359-K362 PolarHBondContact O-N 2.95Å; K360-K362 VanDerWaalsContact C-N 3.28Å; K360-K362 PolarHBondContact O-N 3.12Å; K362-K365 CarbonylContact O-C 3.59Å; K362-K365 PolarHBondContact O-N 2.86Å; K362-E366 WeakPolarHBondContact O-CB 3.43Å; K362-E366 PolarHBondContact O-N 3.45Å
363	K	87.7	Confident	79.9	Confident	134 Å²	134	125.3 Å²	125.3	58%	0.583	59%	0.585	S	S	*	*	H	α-helix	trans	-62.5	-42.4	179.1	-178.1	178.7	-178.7	178.3	0	112.4	E359 K360 E366 K367	E359-K363 WeakPolarHBondContact O-CB 3.21Å; E359-K363 PolarHBondContact O-N 3.08Å; K360-K363 WeakPolarHBondContact O-CB 3.4Å; K360-K363 PolarHBondContact O-N 2.63Å; K363-E366 PolarHBondContact O-N 2.91Å; K363-K367 WeakPolarHBondContact O-CG 3.41Å; K363-K367 PolarHBondContact O-N 3.06Å
364	D	84.9	Confident	78.1	Confident	66 Å²	66	122.7 Å²	122.7	35%	0.353	59%	0.587	S	S	.	*	H	α-helix	trans	-74	-28.9	177.6	-65.4	-36.6	0	0	0	111.7	K360 K367 G368	K360-D364 PolarHBondContact O-N 2.94Å; D364-K367 WeakPolarHBondContact OD1-CE 3.18Å; D364-K367 IonicContact OD1-NZ 2.79Å; D364-K367 PolarHBondContact OD1-NZ 3.14Å; D364-G368 PolarHBondContact O-N 2.89Å
365	K	86.1	Confident	75.8	Confident	157 Å²	157	124 Å²	124	68%	0.683	60%	0.598	S	S	*	*	H	α-helix	trans	-70.7	-28	167.6	-172.7	170.1	-175.1	171.2	0	113.7	K361 K362	K361-K365 VanDerWaalsContact O-CB 3.26Å; K361-K365 WeakPolarHBondContact O-CB 3.36Å; K361-K365 PolarHBondContact O-N 3.35Å; K362-K365 CarbonylContact O-C 3.59Å; K362-K365 PolarHBondContact O-N 2.86Å
366	E	82.9	Confident	73.6	Confident	140 Å²	140	122.8 Å²	122.8	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-75.9	-39.7	173.7	-168.7	177.1	136.9	0	0	111.4	K362 K363 K370	K362-E366 WeakPolarHBondContact O-CB 3.43Å; K362-E366 PolarHBondContact O-N 3.45Å; K363-E366 PolarHBondContact O-N 2.91Å; E366-K370 PolarHBondContact O-N 2.88Å
367	K	77.7	Confident	71.4	Confident	106 Å²	106	121.2 Å²	121.2	46%	0.461	61%	0.612	S	S	.	*	H	α-helix	trans	-57	-58.7	167.1	-71.8	178	-175.2	160.7	0	110.8	K363 D364 K369 K370 E371	K363-K367 WeakPolarHBondContact O-CG 3.41Å; K363-K367 PolarHBondContact O-N 3.06Å; D364-K367 WeakPolarHBondContact OD1-CE 3.18Å; D364-K367 IonicContact OD1-NZ 2.79Å; D364-K367 PolarHBondContact OD1-NZ 3.14Å; K367-K369 CarbonylContact O-C 3.51Å; K367-K369 PolarHBondContact O-N 3.1Å; K367-K370 WeakPolarHBondContact O-CA 3.44Å; K367-K370 VanDerWaalsContact O-CB 3.27Å; K367-K370 WeakPolarHBondContact O-CB 3.35Å; K367-K370 PolarHBondContact O-N 3.01Å; K367-E371 VanDerWaalsContact C-OE1 3.31Å; K367-E371 WeakPolarHBondContact CB-OE1 3.24Å; K367-E371 WeakPolarHBondContact O-CG 3.5Å; K367-E371 PolarHBondContact O-N 3.38Å
368	G	72.1	Confident	69.3	Low	36 Å²	36	121.2 Å²	121.2	37%	0.371	63%	0.625	S	S	.	*	H	α-helix	trans	-53	-28.6	-173.6	0	0	0	0	0	115.1	D364 E371 S372	D364-G368 PolarHBondContact O-N 2.89Å; G368-E371 WeakPolarHBondContact CA-OE1 3.47Å; G368-E371 PolarHBondContact N-OE1 3.34Å; G368-S372 PolarHBondContact O-N 3.43Å; G368-S372 PolarHBondContact O-OG 2.87Å
369	K	72.5	Confident	66.9	Low	134 Å²	134	119.4 Å²	119.4	58%	0.583	63%	0.629	S	S	*	*	H	α-helix	trans	-72.9	-42.7	170.9	-77.9	-173	160.1	-124	0	113.4	K367 E371 S372 D373	K367-K369 CarbonylContact O-C 3.51Å; K367-K369 PolarHBondContact O-N 3.1Å; K369-E371 PolarHBondContact O-N 2.79Å; K369-S372 WeakPolarHBondContact CA-OG 3.42Å; K369-S372 PolarHBondContact O-N 2.88Å; K369-S372 VanDerWaalsContact O-N 3.1Å; K369-S372 PolarHBondContact O-OG 3.16Å; K369-D373 PolarHBondContact O-N 3.27Å
370	K	62.4	Low	64.4	Low	166 Å²	166	118 Å²	118	72%	0.722	63%	0.634	S	S	*	*	H	α-helix	trans	-68	-19.4	-179.3	-157.3	172.1	-174.7	177.1	0	113.4	E366 K367 S374	E366-K370 PolarHBondContact O-N 2.88Å; K367-K370 WeakPolarHBondContact O-CA 3.44Å; K367-K370 VanDerWaalsContact O-CB 3.27Å; K367-K370 WeakPolarHBondContact O-CB 3.35Å; K367-K370 PolarHBondContact O-N 3.01Å; K370-S374 PolarHBondContact O-OG 2.94Å
371	E	56.2	Low	62.2	Low	113 Å²	113	118.8 Å²	118.8	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-81.4	-40.7	170.3	-17.7	-177.3	-173.5	0	0	110	K367 G368 K369 D373 S374	K367-E371 VanDerWaalsContact C-OE1 3.31Å; K367-E371 WeakPolarHBondContact CB-OE1 3.24Å; K367-E371 WeakPolarHBondContact O-CG 3.5Å; K367-E371 PolarHBondContact O-N 3.38Å; G368-E371 WeakPolarHBondContact CA-OE1 3.47Å; G368-E371 PolarHBondContact N-OE1 3.34Å; K369-E371 PolarHBondContact O-N 2.79Å; E371-D373 VanDerWaalsContact C-N 3.31Å; E371-D373 PolarHBondContact O-N 3.47Å; E371-S374 PolarHBondContact O-N 2.79Å; E371-S374 PolarHBondContact O-OG 2.96Å
372	S	54.1	Low	60	Low	82 Å²	82	121 Å²	121	57%	0.573	66%	0.657	S	S	*	*	H	α-helix	trans	-69.5	-24	173.9	59.1	0	0	0	0	114.5	G368 K369 S374	G368-S372 PolarHBondContact O-N 3.43Å; G368-S372 PolarHBondContact O-OG 2.87Å; K369-S372 WeakPolarHBondContact CA-OG 3.42Å; K369-S372 PolarHBondContact O-N 2.88Å; K369-S372 VanDerWaalsContact O-N 3.1Å; K369-S372 PolarHBondContact O-OG 3.16Å; S372-S374 VanDerWaalsContact C-N 3.35Å
373	D	52.1	Low	57.7	Low	132 Å²	132	117.8 Å²	117.8	71%	0.706	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-3.2	177.4	-68.8	-41.2	0	0	0	113.1	K369 E371	K369-D373 PolarHBondContact O-N 3.27Å; E371-D373 VanDerWaalsContact C-N 3.31Å; E371-D373 PolarHBondContact O-N 3.47Å
374	S	51.3	Low	55.4	Low	76 Å²	76	119.6 Å²	119.6	53%	0.531	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	-21.5	-177.2	43.9	0	0	0	0	116.4	K370 E371 S372	K370-S374 PolarHBondContact O-OG 2.94Å; E371-S374 PolarHBondContact O-N 2.79Å; E371-S374 PolarHBondContact O-OG 2.96Å; S372-S374 VanDerWaalsContact C-N 3.35Å
375	D	41.9	Very low	53.5	Low	154 Å²	154	123.6 Å²	123.6	82%	0.824	70%	0.7	S	S	*	*	S	Bend	trans	-101.7	32.9	-173.9	-75	-63	0	0	0	114.1
376	S	44.2	Very low	51.1	Low	109 Å²	109	122.6 Å²	122.6	76%	0.762	70%	0.702	S	S	*	*			trans	-141.3	62.8	-179.4	-178.8	0	0	0	0	114
377	S	41.5	Very low	49.2	Very low	113 Å²	113	123 Å²	123	79%	0.79	70%	0.704	S	S	*	*			trans	-149.8	90.2	164.9	66.1	0	0	0	0	114.3
378	S	42.4	Very low	48	Very low	123 Å²	123	122.6 Å²	122.6	86%	0.86	71%	0.712	S	S	*	*			trans	-161.1	142.1	150.9	-162.9	0	0	0	0	114
379	S	38	Very low	46.7	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	72%	0.724	S	S	*	*			trans	86.7	111.6	157.8	-143.6	0	0	0	0	120.6
380	S	37.6	Very low	45.4	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	73%	0.733	S	S	*	*			trans	49.5	128.9	149.3	-55.4	0	0	0	0	121.1
381	D	42.3	Very low	44.2	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	74%	0.741	S	S	*	*			cis	82	88.3	40.3	-166.4	-133.1	0	0	0	114.4
382	E	42.5	Very low	43.5	Very low	196 Å²	196	130.2 Å²	130.2	92%	0.916	75%	0.751	S	S	*	*				-157.9	163	122.8	-83.8	-146.5	110.2	0	0	106.8
383	G	41.9	Very low	42.9	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	77%	0.767	S	S	*	*			trans	-141.1	-176.9	-167	0	0	0	0	0	116.3
384	I	38	Very low	42.4	Very low	173 Å²	173	139.4 Å²	139.4	89%	0.887	77%	0.774	S	S	*	*			trans	-149.9	146.4	159.4	-153.8	66.1	0	0	0	110.4
385	D	46.7	Very low	42.4	Very low	149 Å²	149	141 Å²	141	80%	0.797	78%	0.783	S	S	*	*			trans	-97.9	131.6	175.3	-168.2	-65.7	0	0	0	109.7
386	D	34.8	Very low	42.7	Very low	136 Å²	136	139.4 Å²	139.4	73%	0.727	78%	0.781	S	S	*	*			trans	-159.7	142.9	149.1	-172	-124.5	0	0	0	111.1	P388	D386-P388 VanDerWaalsContact OD1-CD 3.32Å; D386-P388 WeakPolarHBondContact OD1-CD 3.42Å; D386-P388 WeakPolarHBondContact OD1-CG 3.22Å
387	H	43.9	Very low	43	Very low	149 Å²	149	139.8 Å²	139.8	69%	0.69	78%	0.781	S	S	*	*			trans	-147.9	105.9	175.8	172.2	-76.8	0	0	0	113.2
388	P	51.9	Low	43.6	Very low	98 Å²	98	139.6 Å²	139.6	64%	0.636	78%	0.777	S	S	*	*			trans	-131.1	94.2	167.5	25.2	-3.1	0	0	0	114.6	D386	D386-P388 VanDerWaalsContact OD1-CD 3.32Å; D386-P388 WeakPolarHBondContact OD1-CD 3.42Å; D386-P388 WeakPolarHBondContact OD1-CG 3.22Å
389	L	43.8	Very low	44	Very low	119 Å²	119	139.6 Å²	139.6	62%	0.623	77%	0.774	S	S	*	*			trans	42.2	117.1	132.8	-59.6	176.4	0	0	0	121.9
390	K	45.7	Very low	44	Very low	179 Å²	179	142.5 Å²	142.5	78%	0.778	78%	0.78	S	S	*	*			trans	65.1	117.4	135.8	-57.9	167.7	178.2	168.2	0	120.1
391	K	37.1	Very low	44.6	Very low	205 Å²	205	143.1 Å²	143.1	89%	0.891	78%	0.781	S	S	*	*				178.5	111.9	117.1	-96.6	155.9	-174.4	171.4	0	116.6
392	S	41.8	Very low	44.3	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	78%	0.78	S	S	*	*			trans	9.3	127	143.1	57.9	0	0	0	0	123.1
393	K	40.9	Very low	44.3	Very low	208 Å²	208	137 Å²	137	90%	0.904	78%	0.775	S	S	*	*			trans	-166.9	110.4	142.3	-96.9	147.6	-178.3	178.6	0	107
394	K	42.1	Very low	43.7	Very low	199 Å²	199	139 Å²	139	87%	0.865	78%	0.777	S	S	*	*				70.7	121.6	74.5	-161.2	175.8	-176.7	-179.8	0	113.9
395	P	52.3	Low	43.3	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.7	168.5	-171.2	37.2	-38.2	0	0	0	115.6
396	P	47.4	Very low	42.5	Very low	119 Å²	119	136.2 Å²	136.2	77%	0.773	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.8	170.8	171.1	30.3	-35.9	0	0	0	114.3
397	P	49.6	Very low	42.8	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-92.9	165.4	-150	35.7	-37.4	0	0	0	117.2
398	P	55.5	Low	42.4	Very low	110 Å²	110	134.4 Å²	134.4	71%	0.714	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-84.2	164.9	178.9	35.7	-37.8	0	0	0	114.3
399	P	49.5	Very low	42.3	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.8	155	166.1	30.9	-35.6	0	0	0	112.5
400	I	38.3	Very low	43	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.9	132.6	-170.5	-38.7	172.4	0	0	0	111.1
401	P	50.3	Low	43.5	Very low	119 Å²	119	131.6 Å²	131.6	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-96.8	141.3	169.4	35.6	-30.9	0	0	0	112.4
402	A	36.9	Very low	43.4	Very low	95 Å²	95	126.7 Å²	126.7	79%	0.785	78%	0.781	S	S	*	*			trans	-160.2	148.8	164.2	0	0	0	0	0	111.5
403	P	40.9	Very low	43.3	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	79%	0.786	S	S	*	*			cis	-115	169.4	-30.6	38.1	-26.5	0	0	0	111.6
404	S	31	Very low	43.2	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	78%	0.778	S	S	*	*			trans	-82.3	132.6	156.9	-162.3	0	0	0	0	108.1
405	D	28.2	Very low	43.5	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	78%	0.777	S	S	*	*			trans	-78.4	160.6	149.8	-156.9	-113.8	0	0	0	108.5
406	S	30.5	Very low	42.9	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	78%	0.784	S	S	*	*			trans	-116.4	128.1	-162	-170.5	0	0	0	0	112.7
407	D	40.1	Very low	42.7	Very low	143 Å²	143	130.1 Å²	130.1	77%	0.765	78%	0.782	S	S	*	*			trans	-106.6	139.9	167.9	-174.4	-88.6	0	0	0	111.4
408	S	36	Very low	42.7	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	79%	0.786	S	S	*	*			trans	-172.5	147.8	158.7	-82.1	0	0	0	0	110
409	P	51.1	Low	42.3	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	79%	0.793	S	S	*	*			cis	-139.8	-150.9	-28.8	36.8	-16.1	0	0	0	110.3
410	P	57.9	Low	42.3	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	80%	0.795	S	S	*	*				-108.8	-139.2	-70.9	40.3	-23.5	0	0	0	108.5
411	P	57.1	Low	43.1	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	79%	0.786	S	S	*	*			cis	-122.2	172.6	-34.6	39.4	-26	0	0	0	113.1
412	A	34.8	Very low	43.3	Very low	103 Å²	103	135.8 Å²	135.8	85%	0.851	78%	0.781	S	S	*	*			trans	179.4	159.2	141.2	0	0	0	0	0	113.2
413	E	39.6	Very low	44.2	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	78%	0.778	S	S	*	*			trans	-84.8	164.8	-178.6	-59.9	169.4	72.5	0	0	115
414	V	37.3	Very low	45.1	Very low	120 Å²	120	140 Å²	140	73%	0.727	77%	0.771	S	S	*	*				160.1	135.3	112	165	0	0	0	0	112.1
415	K	50.1	Low	46.6	Very low	195 Å²	195	141.8 Å²	141.8	85%	0.848	76%	0.764	S	S	*	*			trans	-63.3	147.6	-179.9	-55.4	161.3	-175.5	169.1	0	114
416	K	38.4	Very low	48.5	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.865	75%	0.749	S	S	*	*			trans	-159.5	165.6	153.3	-106.9	133.3	-166.9	168.7	0	114.2
417	T	43.3	Very low	50.3	Low	120 Å²	120	141.4 Å²	141.4	74%	0.736	75%	0.748	S	S	*	*			trans	-111.7	161.3	-150.5	45.2	0	0	0	0	115.9	K419	T417-K419 PolarHBondContact O-N 3.16Å
418	P	49.8	Very low	51.8	Low	131 Å²	131	139.7 Å²	139.7	85%	0.851	74%	0.738	S	S	*	*			trans	-76.5	114.5	-177.3	29.9	-35.1	0	0	0	112.6
419	K	47.4	Very low	53.8	Low	196 Å²	196	142.5 Å²	142.5	85%	0.852	74%	0.737	S	S	*	*			trans	-155.1	29.1	175.8	-134.7	168.6	-171.3	172.2	0	116.1	T417	T417-K419 PolarHBondContact O-N 3.16Å
420	K	49.8	Very low	54.9	Low	192 Å²	192	145.1 Å²	145.1	84%	0.835	74%	0.737	S	S	*	*			trans	-107.8	-18.6	-174	-74.6	-173.9	177.2	178.2	0	116.7
421	V	54.9	Low	55.8	Low	108 Å²	108	145.9 Å²	145.9	66%	0.655	73%	0.731	S	S	*	*	S	Bend	trans	-76.8	-47.8	-167.3	-162.3	0	0	0	0	113.4	K423 Q424	V421-K423 VanDerWaalsContact C-N 3.3Å; V421-K423 PolarHBondContact O-N 2.9Å; V421-Q424 PolarHBondContact O-N 3.04Å
422	D	54.5	Low	56.8	Low	126 Å²	126	147.5 Å²	147.5	67%	0.674	73%	0.726	S	S	*	*	H	α-helix	trans	-60.8	-35.2	-177	-67.6	-83.7	0	0	0	114.2	Q424 K425 A426	D422-Q424 PolarHBondContact O-N 2.86Å; D422-Q424 VanDerWaalsContact O-N 3.09Å; D422-K425 PolarHBondContact O-N 2.96Å; D422-A426 WeakPolarHBondContact O-CB 3.31Å; D422-A426 PolarHBondContact O-N 3.04Å
423	K	56.2	Low	59.1	Low	169 Å²	169	148.2 Å²	148.2	74%	0.735	71%	0.712	S	S	*	*	H	α-helix	trans	-65.5	-16.2	-176.6	-154	169.1	-172.5	174.8	0	112.7	V421 R427	V421-K423 VanDerWaalsContact C-N 3.3Å; V421-K423 PolarHBondContact O-N 2.9Å; K423-R427 WeakPolarHBondContact O-CG 3.26Å
424	Q	59.8	Low	61.1	Low	140 Å²	140	148 Å²	148	65%	0.654	70%	0.703	S	S	*	*	H	α-helix	trans	-87.7	-46.3	173.4	-167.7	160.5	-31.1	0	0	111.9	V421 D422 A426 R427 I428	V421-Q424 PolarHBondContact O-N 3.04Å; D422-Q424 PolarHBondContact O-N 2.86Å; D422-Q424 VanDerWaalsContact O-N 3.09Å; Q424-A426 VanDerWaalsContact C-N 3.31Å; Q424-A426 PolarHBondContact O-N 2.87Å; Q424-R427 PolarHBondContact O-N 3.32Å; Q424-I428 HydrophobicContact CG-CD1 4.42Å; Q424-I428 PolarHBondContact O-N 3.47Å
425	K	61	Low	63.1	Low	152 Å²	152	149.8 Å²	149.8	66%	0.661	70%	0.701	S	S	*	*	H	α-helix	trans	-58.2	-41.4	174.6	-74.3	-174.8	175.4	179.7	0	112.1	D422 R427 I428 K429	D422-K425 PolarHBondContact O-N 2.96Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.13Å; K425-I428 PolarHBondContact O-N 3.28Å; K425-K429 PolarHBondContact O-N 2.86Å; K425-K429 VanDerWaalsContact O-N 3.1Å
426	A	68.8	Low	64.7	Low	63 Å²	63	146.5 Å²	146.5	52%	0.521	69%	0.689	S	S	.	*	H	α-helix	trans	-61.7	-35.8	177.9	0	0	0	0	0	113.6	D422 Q424 K430	D422-A426 WeakPolarHBondContact O-CB 3.31Å; D422-A426 PolarHBondContact O-N 3.04Å; Q424-A426 VanDerWaalsContact C-N 3.31Å; Q424-A426 PolarHBondContact O-N 2.87Å; A426-K430 WeakPolarHBondContact O-CB 3.44Å; A426-K430 PolarHBondContact O-N 2.86Å
427	R	68.8	Low	67	Low	192 Å²	192	146.2 Å²	146.2	73%	0.725	68%	0.683	S	S	*	*	H	α-helix	trans	-70.4	-45.1	177.7	-70.2	177.5	78	176.2	5.1	111.5	K423 Q424 K425 K429 K430 E431	K423-R427 WeakPolarHBondContact O-CG 3.26Å; Q424-R427 PolarHBondContact O-N 3.32Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.13Å; R427-K429 PolarHBondContact O-N 3.34Å; R427-K430 PolarHBondContact O-N 3Å; R427-E431 WeakPolarHBondContact O-CB 3.41Å; R427-E431 PolarHBondContact O-N 3.12Å
428	I	72.2	Confident	68.9	Low	108 Å²	108	147.4 Å²	147.4	55%	0.554	68%	0.677	S	S	*	*	H	α-helix	trans	-61.9	-43	179.6	-62.9	166.2	0	0	0	111	Q424 K425 E431 K432	Q424-I428 HydrophobicContact CG-CD1 4.42Å; Q424-I428 PolarHBondContact O-N 3.47Å; K425-I428 PolarHBondContact O-N 3.28Å; I428-E431 PolarHBondContact O-N 2.87Å; I428-K432 PolarHBondContact O-N 3.04Å
429	K	76.3	Confident	70.4	Confident	161 Å²	161	147.4 Å²	147.4	70%	0.7	67%	0.666	S	S	*	*	H	α-helix	trans	-60.7	-48	176	-171.3	175.5	180	-179.7	0	111.7	K425 R427 E431 K432 E433	K425-K429 PolarHBondContact O-N 2.86Å; K425-K429 VanDerWaalsContact O-N 3.1Å; R427-K429 PolarHBondContact O-N 3.34Å; K429-E431 VanDerWaalsContact C-N 3.26Å; K429-E431 PolarHBondContact O-N 2.95Å; K429-K432 PolarHBondContact O-N 3.23Å; K429-E433 WeakPolarHBondContact O-CB 3.36Å; K429-E433 PolarHBondContact O-N 2.84Å; K429-E433 VanDerWaalsContact O-N 3.07Å
430	K	75.9	Confident	72.2	Confident	161 Å²	161	145.9 Å²	145.9	70%	0.7	66%	0.659	S	S	*	*	H	α-helix	trans	-64.7	-28.4	179.2	-171.4	167.2	-174.6	168.8	0	113.1	A426 R427 R434	A426-K430 WeakPolarHBondContact O-CB 3.44Å; A426-K430 PolarHBondContact O-N 2.86Å; R427-K430 PolarHBondContact O-N 3Å; K430-R434 VanDerWaalsContact O-CB 3.32Å; K430-R434 WeakPolarHBondContact O-CB 3.35Å; K430-R434 PolarHBondContact O-N 3.16Å
431	E	75.7	Confident	74	Confident	131 Å²	131	142.7 Å²	142.7	61%	0.612	65%	0.647	S	S	*	*	H	α-helix	trans	-76.8	-42.2	175.7	-170.6	165.2	177.3	0	0	112.6	R427 I428 K429 R434 K435	R427-E431 WeakPolarHBondContact O-CB 3.41Å; R427-E431 PolarHBondContact O-N 3.12Å; I428-E431 PolarHBondContact O-N 2.87Å; K429-E431 VanDerWaalsContact C-N 3.26Å; K429-E431 PolarHBondContact O-N 2.95Å; E431-R434 PolarHBondContact O-N 3.34Å; E431-K435 PolarHBondContact O-N 2.76Å
432	K	78.1	Confident	75.2	Confident	150 Å²	150	143.7 Å²	143.7	65%	0.652	65%	0.649	S	S	*	*	H	α-helix	trans	-58.6	-49.8	173.3	-176.5	177.8	175.1	-178.9	0	111.3	I428 K429 R434 K435 E436	I428-K432 PolarHBondContact O-N 3.04Å; K429-K432 PolarHBondContact O-N 3.23Å; K432-R434 VanDerWaalsContact C-N 3.3Å; K432-R434 PolarHBondContact O-N 3.07Å; K432-K435 WeakPolarHBondContact O-CB 3.14Å; K432-K435 PolarHBondContact O-N 3.48Å; K432-E436 WeakPolarHBondContact O-CB 3.15Å; K432-E436 PolarHBondContact O-N 2.89Å
433	E	82.8	Confident	76.7	Confident	118 Å²	118	145.5 Å²	145.5	55%	0.551	65%	0.65	S	S	*	*	H	α-helix	trans	-57.2	-41.3	178	-170.8	-170.1	141.6	0	0	112.3	K429 K435 E436 R437	K429-E433 WeakPolarHBondContact O-CB 3.36Å; K429-E433 PolarHBondContact O-N 2.84Å; K429-E433 VanDerWaalsContact O-N 3.07Å; E433-K435 PolarHBondContact O-N 2.82Å; E433-E436 PolarHBondContact O-N 3.19Å; E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 3.03Å
434	R	81.7	Confident	78.1	Confident	176 Å²	176	142.2 Å²	142.2	66%	0.664	64%	0.638	S	S	*	*	H	α-helix	trans	-67.4	-32.2	175.8	177.7	175.6	171.2	-121.5	5.3	113.2	K430 E431 K432 K438	K430-R434 VanDerWaalsContact O-CB 3.32Å; K430-R434 WeakPolarHBondContact O-CB 3.35Å; K430-R434 PolarHBondContact O-N 3.16Å; E431-R434 PolarHBondContact O-N 3.34Å; K432-R434 VanDerWaalsContact C-N 3.3Å; K432-R434 PolarHBondContact O-N 3.07Å; R434-K438 PolarHBondContact O-N 2.7Å
435	K	79.8	Confident	79.3	Confident	158 Å²	158	142.9 Å²	142.9	69%	0.687	64%	0.638	S	S	*	*	H	α-helix	trans	-72	-47.9	175	-168.8	-179.9	-179.9	-175.6	0	110.8	E431 K432 E433 R437 K438 E439	E431-K435 PolarHBondContact O-N 2.76Å; K432-K435 WeakPolarHBondContact O-CB 3.14Å; K432-K435 PolarHBondContact O-N 3.48Å; E433-K435 PolarHBondContact O-N 2.82Å; K435-R437 PolarHBondContact O-N 2.86Å; K435-K438 WeakPolarHBondContact O-CB 3.26Å; K435-K438 PolarHBondContact O-N 3.39Å; K435-E439 PolarHBondContact O-N 3.47Å
436	E	84	Confident	80.3	Confident	125 Å²	125	143.8 Å²	143.8	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-60.6	-41.8	178.4	-168	175.3	152.7	0	0	112.1	K432 E433 K438 E439 K440	K432-E436 WeakPolarHBondContact O-CB 3.15Å; K432-E436 PolarHBondContact O-N 2.89Å; E433-E436 PolarHBondContact O-N 3.19Å; E436-K438 PolarHBondContact O-N 2.83Å; E436-E439 PolarHBondContact O-N 2.95Å; E436-K440 PolarHBondContact O-N 3.41Å
437	R	86.3	Confident	81	Confident	194 Å²	194	143.6 Å²	143.6	73%	0.732	64%	0.641	S	S	*	*	H	α-helix	trans	-63	-39.9	175	-168.3	172.1	-178.3	176.2	0.1	112.7	E433 K435 E441	E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 3.03Å; K435-R437 PolarHBondContact O-N 2.86Å; R437-E441 WeakPolarHBondContact O-CB 3.25Å; R437-E441 PolarHBondContact O-N 3.45Å
438	K	82.7	Confident	81.5	Confident	144 Å²	144	142 Å²	142	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-65.3	-38.3	173.8	-94.2	-163.4	167.3	-160.3	0	112.8	R434 K435 E436 E441 L442	R434-K438 PolarHBondContact O-N 2.7Å; K435-K438 WeakPolarHBondContact O-CB 3.26Å; K435-K438 PolarHBondContact O-N 3.39Å; E436-K438 PolarHBondContact O-N 2.83Å; K438-E441 PolarHBondContact O-N 3.23Å; K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 PolarHBondContact O-N 2.81Å
439	E	81.4	Confident	81.5	Confident	132 Å²	132	146.3 Å²	146.3	62%	0.617	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-41.9	178.4	-166.6	176.1	146.4	0	0	111.3	K435 E436 L442 K443	K435-E439 PolarHBondContact O-N 3.47Å; E436-E439 PolarHBondContact O-N 2.95Å; E439-L442 PolarHBondContact O-N 2.97Å; E439-K443 WeakPolarHBondContact O-CB 3.39Å; E439-K443 PolarHBondContact O-N 3.11Å
440	K	86.3	Confident	81.3	Confident	163 Å²	163	141.5 Å²	141.5	71%	0.709	63%	0.634	S	S	*	*	H	α-helix	trans	-62.3	-43.8	173.7	-167.5	171.6	-177.3	175.7	0	112.3	E436 K443 E444	E436-K440 PolarHBondContact O-N 3.41Å; K440-K443 PolarHBondContact O-N 3.28Å; K440-E444 PolarHBondContact O-N 3.13Å
441	E	86.2	Confident	81.1	Confident	125 Å²	125	139.3 Å²	139.3	58%	0.584	63%	0.627	S	S	*	*	H	α-helix	trans	-60	-44.3	174.7	-172.5	-169.4	147.8	0	0	112	R437 K438 K443 E444 K445	R437-E441 WeakPolarHBondContact O-CB 3.25Å; R437-E441 PolarHBondContact O-N 3.45Å; K438-E441 PolarHBondContact O-N 3.23Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 3.3Å; E441-E444 PolarHBondContact O-N 3.2Å; E441-K445 WeakPolarHBondContact O-CB 3.35Å; E441-K445 PolarHBondContact O-N 2.9Å
442	L	81.5	Confident	80.6	Confident	130 Å²	130	139.8 Å²	139.8	68%	0.681	63%	0.629	S	S	*	*	H	α-helix	trans	-64.2	-39.5	177	-162.5	77.3	0	0	0	111.8	K438 E439 K445 K446	K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 PolarHBondContact O-N 2.81Å; E439-L442 PolarHBondContact O-N 2.97Å; L442-K445 PolarHBondContact O-N 3Å; L442-K446 PolarHBondContact O-N 2.86Å
443	K	84.8	Confident	79.9	Confident	163 Å²	163	140.9 Å²	140.9	71%	0.709	63%	0.633	S	S	*	*	H	α-helix	trans	-68.8	-41.4	178.4	-163.9	170.2	-176.5	174.8	0	111.9	E439 K440 E441 K446 A447	E439-K443 WeakPolarHBondContact O-CB 3.39Å; E439-K443 PolarHBondContact O-N 3.11Å; K440-K443 PolarHBondContact O-N 3.28Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 3.3Å; K443-K446 PolarHBondContact O-N 3.16Å; K443-A447 PolarHBondContact O-N 3.02Å
444	E	86.8	Confident	78.8	Confident	101 Å²	101	138.7 Å²	138.7	47%	0.472	63%	0.632	S	S	.	*	H	α-helix	trans	-63.2	-44.4	172.3	-168.9	-170.2	144.8	0	0	111.3	K440 E441 K446 A447 R448	K440-E444 PolarHBondContact O-N 3.13Å; E441-E444 PolarHBondContact O-N 3.2Å; E444-K446 VanDerWaalsContact C-N 3.29Å; E444-K446 PolarHBondContact O-N 3.43Å; E444-A447 WeakPolarHBondContact O-CB 3.39Å; E444-A447 PolarHBondContact O-N 3.41Å; E444-A447 VanDerWaalsContact O-N 3.09Å; E444-R448 HydrophobicContact CG-CG 4.49Å; E444-R448 PolarHBondContact O-N 2.81Å; E444-R448 IonicContact OE1-CZ 3.31Å; E444-R448 VanDerWaalsContact OE1-CZ 3.31Å; E444-R448 IonicContact OE1-NE 2.79Å; E444-R448 PolarHBondContact OE1-NE 2.9Å; E444-R448 IonicContact OE1-NH2 2.91Å; E444-R448 PolarHBondContact OE1-NH2 2.77Å
445	K	85.2	Confident	77.7	Confident	153 Å²	153	138.8 Å²	138.8	67%	0.665	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-33.3	178.5	-165	167.3	-174.1	170.6	0	112.6	E441 L442 R449	E441-K445 WeakPolarHBondContact O-CB 3.35Å; E441-K445 PolarHBondContact O-N 2.9Å; L442-K445 PolarHBondContact O-N 3Å; K445-R449 PolarHBondContact O-N 2.77Å
446	K	81.3	Confident	76.6	Confident	172 Å²	172	135.6 Å²	135.6	75%	0.748	64%	0.635	S	S	*	*	H	α-helix	trans	-70	-39.3	171.2	-170	174.5	-179.3	179.6	0	112.1	L442 K443 E444 A450	L442-K446 PolarHBondContact O-N 2.86Å; K443-K446 PolarHBondContact O-N 3.16Å; E444-K446 VanDerWaalsContact C-N 3.29Å; E444-K446 PolarHBondContact O-N 3.43Å; K446-A450 PolarHBondContact O-N 3.22Å
447	A	83.9	Confident	75.1	Confident	58 Å²	58	140.8 Å²	140.8	48%	0.479	65%	0.649	S	S	.	*	H	α-helix	trans	-65.7	-49.1	176.6	0	0	0	0	0	112.2	K443 E444 R449 A450 E451	K443-A447 PolarHBondContact O-N 3.02Å; E444-A447 WeakPolarHBondContact O-CB 3.39Å; E444-A447 PolarHBondContact O-N 3.41Å; E444-A447 VanDerWaalsContact O-N 3.09Å; A447-R449 VanDerWaalsContact C-N 3.31Å; A447-R449 PolarHBondContact O-N 3.39Å; A447-A450 WeakPolarHBondContact O-CA 3.24Å; A447-A450 WeakPolarHBondContact O-CB 3.14Å; A447-A450 PolarHBondContact O-N 3.38Å; A447-E451 PolarHBondContact O-N 3.16Å
448	R	79.5	Confident	73.4	Confident	158 Å²	158	135.3 Å²	135.3	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-54.2	-44.8	175.4	-74.7	178	177.2	-98	1.6	112.2	E444 A450 E451 E452	E444-R448 HydrophobicContact CG-CG 4.49Å; E444-R448 PolarHBondContact O-N 2.81Å; E444-R448 IonicContact OE1-CZ 3.31Å; E444-R448 VanDerWaalsContact OE1-CZ 3.31Å; E444-R448 IonicContact OE1-NE 2.79Å; E444-R448 PolarHBondContact OE1-NE 2.9Å; E444-R448 IonicContact OE1-NH2 2.91Å; E444-R448 PolarHBondContact OE1-NH2 2.77Å; R448-A450 VanDerWaalsContact C-N 3.26Å; R448-A450 PolarHBondContact O-N 3.37Å; R448-E451 PolarHBondContact O-N 3.02Å; R448-E452 VanDerWaalsContact O-CB 3.28Å; R448-E452 WeakPolarHBondContact O-CB 3.22Å; R448-E452 PolarHBondContact O-N 3.31Å
449	R	70.8	Confident	71.7	Confident	199 Å²	199	138.4 Å²	138.4	75%	0.751	65%	0.654	S	S	*	*	H	α-helix	trans	-67	-24	178	-163.5	177.3	-173.5	-166.2	1.5	113.5	K445 A447 K453	K445-R449 PolarHBondContact O-N 2.77Å; A447-R449 VanDerWaalsContact C-N 3.31Å; A447-R449 PolarHBondContact O-N 3.39Å; R449-K453 WeakPolarHBondContact O-CB 3.44Å; R449-K453 PolarHBondContact O-N 3.36Å
450	A	73.6	Confident	70.6	Confident	61 Å²	61	137.9 Å²	137.9	50%	0.504	66%	0.662	S	S	.	*	H	α-helix	trans	-79.4	-41.9	172.3	0	0	0	0	0	111.9	K446 A447 R448 K453 S454	K446-A450 PolarHBondContact O-N 3.22Å; A447-A450 WeakPolarHBondContact O-CA 3.24Å; A447-A450 WeakPolarHBondContact O-CB 3.14Å; A447-A450 PolarHBondContact O-N 3.38Å; R448-A450 VanDerWaalsContact C-N 3.26Å; R448-A450 PolarHBondContact O-N 3.37Å; A450-K453 PolarHBondContact O-N 3.45Å; A450-S454 PolarHBondContact O-N 3.38Å
451	E	70.8	Confident	68.3	Low	115 Å²	115	139.8 Å²	139.8	54%	0.537	67%	0.673	S	S	.	*	H	α-helix	trans	-64.9	-42.3	175.4	-168.5	-166.6	129.6	0	0	112	A447 R448 K453 S454 R455	A447-E451 PolarHBondContact O-N 3.16Å; R448-E451 PolarHBondContact O-N 3.02Å; E451-K453 VanDerWaalsContact C-N 3.3Å; E451-K453 PolarHBondContact O-N 3.4Å; E451-S454 PolarHBondContact O-N 3.02Å; E451-S454 PolarHBondContact O-OG 3.02Å; E451-R455 VanDerWaalsContact O-CB 3.22Å; E451-R455 WeakPolarHBondContact O-CB 3.2Å; E451-R455 PolarHBondContact O-N 3.36Å; E451-R455 IonicContact OE1-NH1 3.83Å
452	E	64.6	Low	66	Low	141 Å²	141	143.5 Å²	143.5	66%	0.659	69%	0.688	S	S	*	*	H	α-helix	trans	-59.1	-42.9	174.2	-169.5	-174.8	133.2	0	0	111	R448 A456	R448-E452 VanDerWaalsContact O-CB 3.28Å; R448-E452 WeakPolarHBondContact O-CB 3.22Å; R448-E452 PolarHBondContact O-N 3.31Å; E452-A456 WeakPolarHBondContact O-CB 3.32Å; E452-A456 PolarHBondContact O-N 3.3Å
453	K	64.2	Low	64.6	Low	172 Å²	172	142.8 Å²	142.8	75%	0.748	69%	0.691	S	S	*	*	H	α-helix	trans	-71.5	-27.2	177.8	-169.7	171.6	-178.4	179.7	0	113.5	R449 A450 E451	R449-K453 WeakPolarHBondContact O-CB 3.44Å; R449-K453 PolarHBondContact O-N 3.36Å; A450-K453 PolarHBondContact O-N 3.45Å; E451-K453 VanDerWaalsContact C-N 3.3Å; E451-K453 PolarHBondContact O-N 3.4Å
454	S	59.3	Low	62.4	Low	73 Å²	73	144.5 Å²	144.5	51%	0.51	70%	0.698	S	S	.	*	H	α-helix	trans	-79.6	-42.8	172.5	64.7	0	0	0	0	111.8	A450 E451 A456 R457	A450-S454 PolarHBondContact O-N 3.38Å; E451-S454 PolarHBondContact O-N 3.02Å; E451-S454 PolarHBondContact O-OG 3.02Å; S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3Å; S454-R457 WeakPolarHBondContact O-CB 3.45Å; S454-R457 PolarHBondContact O-N 2.88Å
455	R	59.7	Low	60	Low	178 Å²	178	151.7 Å²	151.7	67%	0.672	72%	0.721	S	S	*	*	H	α-helix	trans	-65.4	-30.6	179.8	-164.9	170.4	-173.1	154.5	0.1	113	E451 R457 S458	E451-R455 VanDerWaalsContact O-CB 3.22Å; E451-R455 WeakPolarHBondContact O-CB 3.2Å; E451-R455 PolarHBondContact O-N 3.36Å; E451-R455 IonicContact OE1-NH1 3.83Å; R455-R457 PolarHBondContact O-N 3.27Å; R455-S458 PolarHBondContact O-N 2.93Å; R455-S458 PolarHBondContact O-OG 3.3Å
456	A	55.3	Low	58.1	Low	90 Å²	90	155.7 Å²	155.7	74%	0.744	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-17.3	170.2	0	0	0	0	0	114	E452 S454	E452-A456 WeakPolarHBondContact O-CB 3.32Å; E452-A456 PolarHBondContact O-N 3.3Å; S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3Å
457	R	52.1	Low	56.2	Low	234 Å²	234	153 Å²	153	88%	0.883	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	3	179.9	-152.7	-179.2	-178	-164.8	-0.3	113.5	S454 R455	S454-R457 WeakPolarHBondContact O-CB 3.45Å; S454-R457 PolarHBondContact O-N 2.88Å; R455-R457 PolarHBondContact O-N 3.27Å
458	S	51.5	Low	54.1	Low	80 Å²	80	158.8 Å²	158.8	56%	0.559	75%	0.749	S	S	*	*			trans	-134.9	77.5	-173.1	62.8	0	0	0	0	113	R455	R455-S458 PolarHBondContact O-N 2.93Å; R455-S458 PolarHBondContact O-OG 3.3Å
459	K	47.5	Very low	52.6	Low	209 Å²	209	162.1 Å²	162.1	91%	0.909	76%	0.762	S	S	*	*			trans	-105.9	130.2	156.1	-85.3	-171.9	173.1	-175.2	0	108.9
460	P	58.3	Low	51	Low	121 Å²	121	158.3 Å²	158.3	79%	0.786	76%	0.763	S	S	*	*			trans	-93.9	138.4	174.1	34.7	-30.8	0	0	0	111.7
461	E	36.9	Very low	49.6	Very low	202 Å²	202	161.1 Å²	161.1	94%	0.944	78%	0.776	S	S	*	*			trans	-129	166.6	159	-84.4	-153.7	78.9	0	0	111.3
462	K	37.9	Very low	48.1	Very low	204 Å²	204	164.7 Å²	164.7	89%	0.887	79%	0.793	S	S	*	*			trans	-101.3	162.3	-158.7	-93.9	179.9	174.4	178.7	0	113.8
463	P	53	Low	46.8	Very low	114 Å²	114	167.7 Å²	167.7	74%	0.74	80%	0.803	S	S	*	*			trans	-94.9	149.8	-161.5	35.8	-36	0	0	0	114.6
464	K	37.4	Very low	45.6	Very low	200 Å²	200	168.9 Å²	168.9	87%	0.87	81%	0.809	S	S	*	*				171.7	115.6	125.9	-97.1	170.6	178.6	-176.9	0	113.1
465	R	38	Very low	44.9	Very low	252 Å²	252	171.8 Å²	171.8	95%	0.951	82%	0.823	S	S	*	*				166.3	157.5	126.3	-89.1	171.1	111.1	155.5	-0.2	109.8
466	R	44.3	Very low	44	Very low	237 Å²	237	172.1 Å²	172.1	89%	0.894	83%	0.832	S	S	*	*			trans	-73.4	150.6	170.4	-66.3	177.3	171	-179.8	-4.2	108.9
467	P	40.7	Very low	43.3	Very low	115 Å²	115	175.7 Å²	175.7	75%	0.747	83%	0.831	S	S	*	*				-106.3	166.4	71.2	-7.4	28.4	0	0	0	112.7
468	E	41.6	Very low	43.2	Very low	179 Å²	179	173.6 Å²	173.6	84%	0.836	83%	0.828	S	S	*	*				88.3	162.9	50	-138.8	-177.1	150.1	0	0	114.2
469	R	46.4	Very low	43.2	Very low	228 Å²	228	179.6 Å²	179.6	86%	0.86	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-70.7	129.6	-156.1	-68.4	174	173.2	154.7	-5.1	113.2
470	P	38.1	Very low	43.4	Very low	119 Å²	119	175 Å²	175	77%	0.773	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.7	130.2	163.3	31.5	-30.9	0	0	0	110.7
471	P	42.9	Very low	43.8	Very low	120 Å²	120	171.5 Å²	171.5	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.7	157.3	173.7	29.9	-34.5	0	0	0	112.1	K473	P471-K473 PolarHBondContact O-N 3.03Å
472	E	39.5	Very low	46.1	Very low	191 Å²	191	164.5 Å²	164.5	89%	0.893	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.2	119.4	-172.5	-59.9	179.4	119.6	0	0	112.4	K474	E472-K474 PolarHBondContact O-N 3.08Å
473	K	38.2	Very low	48.4	Very low	204 Å²	204	156.9 Å²	156.9	89%	0.887	75%	0.749	S	S	*	*			trans	-72.8	102.6	169.9	-74.4	-166.9	173.5	-170.6	0	109.6	P471 V475	P471-K473 PolarHBondContact O-N 3.03Å; K473-V475 PolarHBondContact O-N 3.5Å; K473-V475 VanDerWaalsContact O-N 3.16Å
474	K	39.1	Very low	50.1	Low	197 Å²	197	153.3 Å²	153.3	86%	0.857	72%	0.722	S	S	*	*			trans	-45.2	118.7	171.8	-67.3	174	-179.2	171.9	0	109.9	E472 E476	E472-K474 PolarHBondContact O-N 3.08Å; K474-E476 PolarHBondContact O-N 3.34Å
475	V	44.7	Very low	52.7	Low	134 Å²	134	149 Å²	149	81%	0.812	71%	0.706	S	S	*	*			trans	-58.7	130.1	161.6	176.4	0	0	0	0	106.8	K473 K477	K473-V475 PolarHBondContact O-N 3.5Å; K473-V475 VanDerWaalsContact O-N 3.16Å; V475-K477 PolarHBondContact O-N 3.13Å
476	E	40.8	Very low	55.2	Low	184 Å²	184	141 Å²	141	86%	0.86	68%	0.675	S	S	*	*			trans	-61.9	102.9	177.8	-69.2	175.9	99.2	0	0	109.3	K474 K478	K474-E476 PolarHBondContact O-N 3.34Å; E476-K478 PolarHBondContact O-N 3.25Å
477	K	40.5	Very low	57.5	Low	166 Å²	166	129.7 Å²	129.7	72%	0.722	63%	0.632	S	S	*	*			trans	-58.9	109.7	165.8	-88.4	-162.4	166.8	-147.8	0	107.1	V475 K479 E480	V475-K477 PolarHBondContact O-N 3.13Å; K477-K479 PolarHBondContact O-N 3.08Å; K477-K479 VanDerWaalsContact O-N 3.12Å; K477-E480 WeakPolarHBondContact CE-OE1 3.45Å; K477-E480 IonicContact NZ-OE1 3.9Å; K477-E480 PolarHBondContact NZ-OE1 3Å
478	K	48.9	Very low	59.9	Low	190 Å²	190	128.8 Å²	128.8	83%	0.826	62%	0.619	S	S	*	*			trans	-41.4	123.9	158	-68.6	-172.9	176	-170.6	0	106.8	E476 E480	E476-K478 PolarHBondContact O-N 3.25Å; K478-E480 PolarHBondContact O-N 3.32Å
479	K	52	Low	62.4	Low	206 Å²	206	127 Å²	127	90%	0.896	61%	0.608	S	S	*	*			trans	-55.4	103.8	-176.3	-174.5	177.6	-180	-177.7	0	108.3	K477 S481	K477-K479 PolarHBondContact O-N 3.08Å; K477-K479 VanDerWaalsContact O-N 3.12Å; K479-S481 PolarHBondContact O-N 3.24Å
480	E	52.2	Low	64.8	Low	112 Å²	112	116.7 Å²	116.7	52%	0.523	57%	0.57	S	S	.	*			trans	-62.2	109.7	-177.5	-77.6	173.1	-135.1	0	0	106.9	K477 K478 S482	K477-E480 WeakPolarHBondContact CE-OE1 3.45Å; K477-E480 IonicContact NZ-OE1 3.9Å; K477-E480 PolarHBondContact NZ-OE1 3Å; K478-E480 PolarHBondContact O-N 3.32Å; E480-S482 PolarHBondContact O-N 3.34Å
481	S	67.3	Low	67.5	Low	48 Å²	48	112 Å²	112	34%	0.336	54%	0.537	S	S	.	.			trans	-48	137.5	-179.4	44.8	0	0	0	0	110.3	K479 E485 R486	K479-S481 PolarHBondContact O-N 3.24Å; S481-E485 WeakPolarHBondContact CA-OE2 3.5Å; S481-E485 WeakPolarHBondContact CB-OE2 3.28Å; S481-R486 WeakPolarHBondContact O-CD 3.26Å; S481-R486 PolarHBondContact O-NE 2.95Å; S481-R486 PolarHBondContact O-NH2 3.42Å; S481-R486 WeakPolarHBondContact OG-CG 3.46Å; S481-R486 PolarHBondContact OG-NE 3.18Å
482	S	84.8	Confident	70	Confident	55 Å²	55	109 Å²	109	39%	0.385	52%	0.517	S	S	.	.			trans	-57.5	141.5	-166	-179.4	0	0	0	0	110.2	E480 E484 E485 R486	E480-S482 PolarHBondContact O-N 3.34Å; S482-E484 PolarHBondContact O-N 3.24Å; S482-E484 VanDerWaalsContact O-N 3.08Å; S482-E485 PolarHBondContact N-OE2 2.89Å; S482-E485 WeakPolarHBondContact O-CB 3.42Å; S482-E485 PolarHBondContact O-N 2.9Å; S482-R486 WeakPolarHBondContact O-CG 3.44Å; S482-R486 PolarHBondContact O-N 2.96Å
483	P	86.6	Confident	72.6	Confident	44 Å²	44	101.3 Å²	101.3	29%	0.286	48%	0.482	S	S	.	.	H	α-helix	trans	-56.1	-28	176	22.2	-33.4	0	0	0	112.5	L487 V518 I524	P483-L487 PolarHBondContact O-N 2.79Å; P483-V518 HydrophobicContact CB-CG1 3.69Å; P483-I524 HydrophobicContact CB-CD1 4.1Å; P483-I524 HydrophobicContact CG-CD1 3.8Å
484	E	88.9	Confident	75.4	Confident	38 Å²	38	91.8 Å²	91.8	18%	0.178	44%	0.441	C	S	.	.	H	α-helix	trans	-60.8	-56.7	168.3	-171.5	80.9	-157.5	0	0	112.2	S482 R486 L487 Q488 K527 N528	S482-E484 PolarHBondContact O-N 3.24Å; S482-E484 VanDerWaalsContact O-N 3.08Å; E484-R486 PolarHBondContact O-N 3.42Å; E484-L487 WeakPolarHBondContact O-CB 3.45Å; E484-L487 PolarHBondContact O-N 3.5Å; E484-L487 VanDerWaalsContact O-N 3.12Å; E484-Q488 PolarHBondContact O-N 2.97Å; E484-Q488 VanDerWaalsContact O-N 3.11Å; E484-K527 WeakPolarHBondContact OE1-CB 3.31Å; E484-N528 PolarHBondContact OE1-ND2 3.33Å; E484-N528 PolarHBondContact OE2-ND2 2.98Å
485	E	90.4	Very high	78	Confident	111 Å²	111	87.3 Å²	87.3	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-62.5	-39.2	-179.1	179.4	-170	-171.9	0	0	111.9	S481 S482 Q488 K489	S481-E485 WeakPolarHBondContact CA-OE2 3.5Å; S481-E485 WeakPolarHBondContact CB-OE2 3.28Å; S482-E485 PolarHBondContact N-OE2 2.89Å; S482-E485 WeakPolarHBondContact O-CB 3.42Å; S482-E485 PolarHBondContact O-N 2.9Å; E485-Q488 PolarHBondContact O-N 2.69Å; E485-K489 WeakPolarHBondContact O-CB 3.27Å; E485-K489 PolarHBondContact O-N 2.96Å
486	R	91	Very high	80.4	Confident	82 Å²	82	87.1 Å²	87.1	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-60.8	-43.1	172.4	-70.1	-177.7	-176.2	176.5	9.1	111.4	S481 S482 E484 K489 L490 V518	S481-R486 WeakPolarHBondContact O-CD 3.26Å; S481-R486 PolarHBondContact O-NE 2.95Å; S481-R486 PolarHBondContact O-NH2 3.42Å; S481-R486 WeakPolarHBondContact OG-CG 3.46Å; S481-R486 PolarHBondContact OG-NE 3.18Å; S482-R486 WeakPolarHBondContact O-CG 3.44Å; S482-R486 PolarHBondContact O-N 2.96Å; E484-R486 PolarHBondContact O-N 3.42Å; R486-K489 PolarHBondContact O-N 3.17Å; R486-L490 WeakPolarHBondContact O-CB 3.18Å; R486-L490 WeakPolarHBondContact O-CD1 3.28Å; R486-L490 WeakPolarHBondContact O-CG 3.47Å; R486-L490 PolarHBondContact O-N 3.19Å; R486-V518 HydrophobicContact CB-CG2 4.03Å
487	L	92.1	Very high	83	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-43.6	176.9	-116.5	67.1	0	0	0	112	P483 E484 L490 H491 L515 V518 V520 I524 N528 V531	P483-L487 PolarHBondContact O-N 2.79Å; E484-L487 WeakPolarHBondContact O-CB 3.45Å; E484-L487 PolarHBondContact O-N 3.5Å; E484-L487 VanDerWaalsContact O-N 3.12Å; L487-L490 PolarHBondContact O-N 2.68Å; L487-H491 WeakPolarHBondContact O-CB 3.36Å; L487-H491 PolarHBondContact O-N 3.12Å; L487-L515 HydrophobicContact CD1-CD1 3.49Å; L487-L515 VanDerWaalsContact CD1-CD1 3.49Å; L487-L515 HydrophobicContact CG-CD1 3.78Å; L487-V518 HydrophobicContact CD1-CB 3.83Å; L487-V518 HydrophobicContact CD1-CG1 3.69Å; L487-V518 HydrophobicContact CD1-CG2 4.07Å; L487-V520 HydrophobicContact CD1-CG2 3.5Å; L487-V520 VanDerWaalsContact CD1-CG2 3.5Å; L487-V520 HydrophobicContact CD2-CG1 4.47Å; L487-V520 HydrophobicContact CD2-CG2 3.91Å; L487-V520 HydrophobicContact CG-CG2 4.37Å; L487-I524 HydrophobicContact CD2-CG2 4.05Å; L487-N528 HydrophobicContact CD2-CB 3.94Å; L487-V531 HydrophobicContact CB-CG2 4.32Å; L487-V531 HydrophobicContact CD2-CG2 4.17Å; L487-V531 HydrophobicContact CG-CG2 4.11Å
488	Q	92.4	Very high	85.6	Confident	97 Å²	97	72.1 Å²	72.1	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-68.6	-39.4	179	-66.5	177.6	0.4	0	0	112.2	E484 E485 T492 N528	E484-Q488 PolarHBondContact O-N 2.97Å; E484-Q488 VanDerWaalsContact O-N 3.11Å; E485-Q488 PolarHBondContact O-N 2.69Å; Q488-T492 WeakPolarHBondContact O-CB 3.27Å; Q488-T492 PolarHBondContact O-N 3.02Å; Q488-T492 VanDerWaalsContact O-N 3.12Å; Q488-T492 PolarHBondContact O-OG1 2.76Å; Q488-N528 WeakPolarHBondContact CG-OD1 2.92Å; Q488-N528 PolarHBondContact NE2-OD1 3.31Å; Q488-N528 VanDerWaalsContact NE2-OD1 3.15Å
489	K	94.3	Very high	87.8	Confident	142 Å²	142	68 Å²	68	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-52.6	172.1	-178.4	177.6	177.6	-176.5	0	111	E485 R486 H491 T492 D493	E485-K489 WeakPolarHBondContact O-CB 3.27Å; E485-K489 PolarHBondContact O-N 2.96Å; R486-K489 PolarHBondContact O-N 3.17Å; K489-H491 VanDerWaalsContact C-N 3.33Å; K489-H491 PolarHBondContact O-N 3.24Å; K489-T492 CarbonylContact O-C 3.6Å; K489-T492 WeakPolarHBondContact O-CA 3.31Å; K489-T492 WeakPolarHBondContact O-CB 3.41Å; K489-T492 PolarHBondContact O-N 2.83Å; K489-D493 VanDerWaalsContact CE-OD2 3.27Å; K489-D493 WeakPolarHBondContact CE-OD2 3.09Å; K489-D493 WeakPolarHBondContact CG-OD2 3.48Å; K489-D493 PolarHBondContact O-N 2.59Å
490	L	95.2	Very high	89.6	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-37.2	-177.3	-69.3	166.7	0	0	0	112.1	R486 L487 T492 D493 I494 A511 E514 L515 V518	R486-L490 WeakPolarHBondContact O-CB 3.18Å; R486-L490 WeakPolarHBondContact O-CD1 3.28Å; R486-L490 WeakPolarHBondContact O-CG 3.47Å; R486-L490 PolarHBondContact O-N 3.19Å; L487-L490 PolarHBondContact O-N 2.68Å; L490-T492 VanDerWaalsContact C-N 3.29Å; L490-T492 PolarHBondContact O-N 2.84Å; L490-D493 PolarHBondContact O-N 3.27Å; L490-I494 VanDerWaalsContact O-CB 3.24Å; L490-I494 WeakPolarHBondContact O-CB 3.21Å; L490-I494 WeakPolarHBondContact O-CD1 3.43Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 2.87Å; L490-A511 HydrophobicContact CD2-CB 4.05Å; L490-E514 HydrophobicContact CD1-CB 4.03Å; L490-E514 HydrophobicContact CD2-CB 3.75Å; L490-L515 HydrophobicContact CD1-CB 4.11Å; L490-L515 HydrophobicContact CD1-CD1 4.43Å; L490-V518 HydrophobicContact CD1-CG2 3.96Å
491	H	95.1	Very high	91.4	Very high	20 Å²	20	64.6 Å²	64.6	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-42	169.6	175.4	-126.7	0	0	0	113	L487 K489 K495 E530 V531 T534	L487-H491 WeakPolarHBondContact O-CB 3.36Å; L487-H491 PolarHBondContact O-N 3.12Å; K489-H491 VanDerWaalsContact C-N 3.33Å; K489-H491 PolarHBondContact O-N 3.24Å; H491-K495 PolarHBondContact CE1-NZ 2.89Å; H491-K495 WeakPolarHBondContact O-CB 3.42Å; H491-K495 WeakPolarHBondContact O-CD 3.36Å; H491-K495 WeakPolarHBondContact O-CG 3.35Å; H491-K495 PolarHBondContact O-N 3.35Å; H491-E530 WeakPolarHBondContact CE1-CB 3.39Å; H491-E530 IonicContact CE1-OE2 3.32Å; H491-E530 PolarHBondContact CE1-OE2 3.48Å; H491-E530 PolarHBondContact NE2-O 3.29Å; H491-V531 HydrophobicContact CB-CG2 4.07Å; H491-T534 PolarHBondContact CD2-OG1 3.39Å; H491-T534 WeakPolarHBondContact NE2-CB 3.43Å; H491-T534 PolarHBondContact NE2-OG1 3.3Å
492	T	95.7	Very high	92.5	Very high	59 Å²	59	68.4 Å²	68.4	36%	0.362	34%	0.343	S	S	.	.	H	α-helix	trans	-72.1	-47.1	179.4	-59.7	0	0	0	0	111.3	Q488 K489 L490 I494 K495 F496	Q488-T492 WeakPolarHBondContact O-CB 3.27Å; Q488-T492 PolarHBondContact O-N 3.02Å; Q488-T492 VanDerWaalsContact O-N 3.12Å; Q488-T492 PolarHBondContact O-OG1 2.76Å; K489-T492 CarbonylContact O-C 3.6Å; K489-T492 WeakPolarHBondContact O-CA 3.31Å; K489-T492 WeakPolarHBondContact O-CB 3.41Å; K489-T492 PolarHBondContact O-N 2.83Å; L490-T492 VanDerWaalsContact C-N 3.29Å; L490-T492 PolarHBondContact O-N 2.84Å; T492-I494 VanDerWaalsContact C-N 3.34Å; T492-I494 PolarHBondContact O-N 3.16Å; T492-K495 PolarHBondContact O-N 2.94Å; T492-K495 VanDerWaalsContact O-N 3.16Å; T492-F496 HydrophobicContact CG2-CD2 3.73Å; T492-F496 HydrophobicContact CG2-CE2 3.52Å; T492-F496 VanDerWaalsContact O-CD2 3.25Å; T492-F496 WeakPolarHBondContact O-CD2 3.36Å; T492-F496 PolarHBondContact O-N 3.16Å
493	D	95.2	Very high	92.9	Very high	28 Å²	28	69.1 Å²	69.1	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-56.9	-44.2	173.4	-92.6	-60	0	0	0	111.5	K489 L490 F496 A497 R507 A511	K489-D493 VanDerWaalsContact CE-OD2 3.27Å; K489-D493 WeakPolarHBondContact CE-OD2 3.09Å; K489-D493 WeakPolarHBondContact CG-OD2 3.48Å; K489-D493 PolarHBondContact O-N 2.59Å; L490-D493 PolarHBondContact O-N 3.27Å; D493-F496 PolarHBondContact O-N 3.06Å; D493-A497 WeakPolarHBondContact O-CB 3.2Å; D493-A497 PolarHBondContact O-N 3.38Å; D493-R507 IonicContact OD1-CZ 3.76Å; D493-R507 IonicContact OD1-NE 2.69Å; D493-R507 PolarHBondContact OD1-NE 2.66Å; D493-R507 IonicContact OD1-NH2 3.95Å; D493-R507 PolarHBondContact OD1-NH2 2.92Å; D493-A511 HydrophobicContact CB-CB 4.48Å
494	I	95.6	Very high	93.3	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-41.3	175.6	-73.5	166.8	0	0	0	111.6	L490 T492 A497 L498 A511 L512 L515 T534 I538	L490-I494 VanDerWaalsContact O-CB 3.24Å; L490-I494 WeakPolarHBondContact O-CB 3.21Å; L490-I494 WeakPolarHBondContact O-CD1 3.43Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 2.87Å; T492-I494 VanDerWaalsContact C-N 3.34Å; T492-I494 PolarHBondContact O-N 3.16Å; I494-A497 PolarHBondContact O-N 2.85Å; I494-L498 PolarHBondContact O-N 3.41Å; I494-A511 HydrophobicContact CD1-CB 4.23Å; I494-A511 HydrophobicContact CG1-CB 3.62Å; I494-L512 HydrophobicContact CD1-CD2 3.9Å; I494-L512 HydrophobicContact CD1-CG 4.25Å; I494-L515 HydrophobicContact CD1-CD2 3.99Å; I494-T534 HydrophobicContact CG2-CG2 4.43Å; I494-I538 HydrophobicContact CG2-CD1 3.2Å
495	K	94.8	Very high	93.6	Very high	104 Å²	104	71.4 Å²	71.4	45%	0.452	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-34.8	176.4	-81.6	163.4	56.5	-175.1	0	112.8	H491 T492 T534	H491-K495 PolarHBondContact CE1-NZ 2.89Å; H491-K495 WeakPolarHBondContact O-CB 3.42Å; H491-K495 WeakPolarHBondContact O-CD 3.36Å; H491-K495 WeakPolarHBondContact O-CG 3.35Å; H491-K495 PolarHBondContact O-N 3.35Å; T492-K495 PolarHBondContact O-N 2.94Å; T492-K495 VanDerWaalsContact O-N 3.16Å; K495-T534 HydrophobicContact CG-CG2 4.17Å
496	F	95.6	Very high	93.9	Very high	130 Å²	130	73.9 Å²	73.9	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-75.8	-41	173.9	-79	-64.1	0	0	0	112.4	T492 D493 L498 K499	T492-F496 HydrophobicContact CG2-CD2 3.73Å; T492-F496 HydrophobicContact CG2-CE2 3.52Å; T492-F496 VanDerWaalsContact O-CD2 3.25Å; T492-F496 WeakPolarHBondContact O-CD2 3.36Å; T492-F496 PolarHBondContact O-N 3.16Å; D493-F496 PolarHBondContact O-N 3.06Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.47Å; F496-K499 HydrophobicContact CD1-CD 4.4Å; F496-K499 WeakPolarHBondContact O-CB 3.5Å; F496-K499 PolarHBondContact O-N 2.81Å; F496-K499 VanDerWaalsContact O-N 3.16Å
497	A	95.5	Very high	94.1	Very high	3 Å²	3	76.1 Å²	76.1	3%	0.025	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-28.2	178.1	0	0	0	0	0	112.9	D493 I494 P503 D504 R507 C508	D493-A497 WeakPolarHBondContact O-CB 3.2Å; D493-A497 PolarHBondContact O-N 3.38Å; I494-A497 PolarHBondContact O-N 2.85Å; A497-P503 CarbonylContact O-C 3.59Å; A497-P503 WeakPolarHBondContact O-CA 3.42Å; A497-D504 HydrophobicContact CB-CB 4.37Å; A497-D504 PolarHBondContact O-N 3.27Å; A497-R507 HydrophobicContact CB-CB 4.28Å; A497-R507 HydrophobicContact CB-CG 4.3Å; A497-C508 HydrophobicContact CB-CB 3.93Å
498	L	94.6	Very high	94.3	Very high	32 Å²	32	76.1 Å²	76.1	17%	0.168	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	27.7	174.5	-58.7	-178.7	0	0	0	113.2	I494 F496 C508 I538 Y541 V547	I494-L498 PolarHBondContact O-N 3.41Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.47Å; L498-C508 HydrophobicContact CD2-CB 3.91Å; L498-C508 HydrophobicContact CG-CB 4.2Å; L498-I538 HydrophobicContact CD1-CB 4.41Å; L498-I538 HydrophobicContact CD1-CD1 3.81Å; L498-I538 HydrophobicContact CD1-CG1 3.66Å; L498-I538 HydrophobicContact CD1-CG2 3.9Å; L498-Y541 HydrophobicContact CD2-CD1 4.48Å; L498-Y541 HydrophobicContact CD2-CE1 3.94Å; L498-Y541 HydrophobicContact CD2-CE2 4.1Å; L498-V547 HydrophobicContact CD1-CG1 4.29Å
499	K	93.9	Very high	94.4	Very high	102 Å²	102	73.5 Å²	73.5	44%	0.443	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132	176	-170.8	169.8	-172.1	-78	0	110.4	F496 D501 N502	F496-K499 HydrophobicContact CD1-CD 4.4Å; F496-K499 WeakPolarHBondContact O-CB 3.5Å; F496-K499 PolarHBondContact O-N 2.81Å; F496-K499 VanDerWaalsContact O-N 3.16Å; K499-D501 IonicContact NZ-OD2 2.7Å; K499-D501 PolarHBondContact NZ-OD2 2.93Å; K499-D501 PolarHBondContact O-N 3.32Å; K499-D501 VanDerWaalsContact O-N 3.08Å; K499-N502 CarbonylContact O-C 3.22Å; K499-N502 VanDerWaalsContact O-C 3.24Å; K499-N502 PolarHBondContact O-N 2.95Å
500	V	90.9	Very high	94.5	Very high	141 Å²	141	72.9 Å²	72.9	86%	0.855	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.5	-170.7	-179.8	0	0	0	0	113.4
501	D	90.1	Very high	94.6	Very high	106 Å²	106	72.7 Å²	72.7	57%	0.567	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.7	-176.6	-35	-83.2	0	0	0	113.4	K499	K499-D501 IonicContact NZ-OD2 2.7Å; K499-D501 PolarHBondContact NZ-OD2 2.93Å; K499-D501 PolarHBondContact O-N 3.32Å; K499-D501 VanDerWaalsContact O-N 3.08Å
502	N	89.5	Confident	94.6	Very high	129 Å²	129	71.7 Å²	71.7	69%	0.69	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152	80.2	-172.8	-74.2	-89.9	0	0	0	110.4	K499 D504	K499-N502 CarbonylContact O-C 3.22Å; K499-N502 VanDerWaalsContact O-C 3.24Å; K499-N502 PolarHBondContact O-N 2.95Å; N502-D504 PolarHBondContact O-N 3.33Å
503	P	93.4	Very high	94.6	Very high	70 Å²	70	74.5 Å²	74.5	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108	179.7	29.8	-33.7	0	0	0	112.4	A497	A497-P503 CarbonylContact O-C 3.59Å; A497-P503 WeakPolarHBondContact O-CA 3.42Å
504	D	95.9	Very high	94.6	Very high	66 Å²	66	77.7 Å²	77.7	35%	0.353	38%	0.38	S	S	.	.			trans	-92.8	93.8	173.7	-176.2	-14.9	0	0	0	110.3	A497 N502 E506 R507 C508	A497-D504 HydrophobicContact CB-CB 4.37Å; A497-D504 PolarHBondContact O-N 3.27Å; N502-D504 PolarHBondContact O-N 3.33Å; D504-E506 PolarHBondContact OD1-N 3.31Å; D504-R507 HydrophobicContact CB-CB 4.18Å; D504-R507 VanDerWaalsContact OD1-CB 3.27Å; D504-R507 WeakPolarHBondContact OD1-CB 3.39Å; D504-R507 PolarHBondContact OD1-N 3.45Å; D504-R507 WeakPolarHBondContact OD2-CB 3.49Å; D504-R507 WeakPolarHBondContact OD2-CD 3.44Å; D504-C508 WeakPolarHBondContact O-CB 3.3Å; D504-C508 PolarHBondContact O-N 3.45Å
505	I	95.4	Very high	94.5	Very high	63 Å²	63	77.6 Å²	77.6	32%	0.323	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-38.4	-176.8	-64.3	166.6	0	0	0	111.3	C508 L509 V547	I505-C508 PolarHBondContact O-N 3.31Å; I505-L509 HydrophobicContact CG2-CD1 4.04Å; I505-L509 HydrophobicContact CG2-CG 4.47Å; I505-L509 WeakPolarHBondContact O-CG 3.42Å; I505-L509 PolarHBondContact O-N 3.23Å; I505-V547 HydrophobicContact CG2-CG2 3.99Å
506	E	95.3	Very high	94.3	Very high	164 Å²	164	76.2 Å²	76.2	77%	0.766	38%	0.375	S	S	*	.	H	α-helix	trans	-69.7	-46.1	-176.6	-65.5	-174.8	-171.7	0	0	111.6	D504 C508 L509 K510	D504-E506 PolarHBondContact OD1-N 3.31Å; E506-C508 VanDerWaalsContact C-N 3.3Å; E506-C508 PolarHBondContact O-N 3.17Å; E506-L509 PolarHBondContact O-N 3.46Å; E506-K510 PolarHBondContact O-N 3.34Å
507	R	94.9	Very high	94.1	Very high	129 Å²	129	73.9 Å²	73.9	49%	0.487	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-35.9	174.7	-174.4	177.1	-178.6	152.2	-1.8	112	D493 A497 D504 K510 A511	D493-R507 IonicContact OD1-CZ 3.76Å; D493-R507 IonicContact OD1-NE 2.69Å; D493-R507 PolarHBondContact OD1-NE 2.66Å; D493-R507 IonicContact OD1-NH2 3.95Å; D493-R507 PolarHBondContact OD1-NH2 2.92Å; A497-R507 HydrophobicContact CB-CB 4.28Å; A497-R507 HydrophobicContact CB-CG 4.3Å; D504-R507 HydrophobicContact CB-CB 4.18Å; D504-R507 VanDerWaalsContact OD1-CB 3.27Å; D504-R507 WeakPolarHBondContact OD1-CB 3.39Å; D504-R507 PolarHBondContact OD1-N 3.45Å; D504-R507 WeakPolarHBondContact OD2-CB 3.49Å; D504-R507 WeakPolarHBondContact OD2-CD 3.44Å; R507-K510 PolarHBondContact O-N 2.95Å; R507-A511 VanDerWaalsContact O-CB 3.3Å; R507-A511 WeakPolarHBondContact O-CB 3.09Å; R507-A511 PolarHBondContact O-N 3.41Å
508	C	96.3	Very high	93.8	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-48.2	173	-172.7	0	0	0	0	111.7	A497 L498 D504 I505 E506 K510 A511 L512 V547	A497-C508 HydrophobicContact CB-CB 3.93Å; L498-C508 HydrophobicContact CD2-CB 3.91Å; L498-C508 HydrophobicContact CG-CB 4.2Å; D504-C508 WeakPolarHBondContact O-CB 3.3Å; D504-C508 PolarHBondContact O-N 3.45Å; I505-C508 PolarHBondContact O-N 3.31Å; E506-C508 VanDerWaalsContact C-N 3.3Å; E506-C508 PolarHBondContact O-N 3.17Å; C508-K510 VanDerWaalsContact C-N 3.29Å; C508-K510 PolarHBondContact O-N 3.04Å; C508-A511 PolarHBondContact O-N 2.81Å; C508-L512 WeakPolarHBondContact O-CG 3.27Å; C508-L512 PolarHBondContact O-N 2.81Å; C508-V547 HydrophobicContact CB-CG2 4.37Å
509	L	95.8	Very high	93.2	Very high	41 Å²	41	77.4 Å²	77.4	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-37.2	177.7	-75.3	171.7	0	0	0	112.8	I505 E506 E513 A546 V547 K550	I505-L509 HydrophobicContact CG2-CD1 4.04Å; I505-L509 HydrophobicContact CG2-CG 4.47Å; I505-L509 WeakPolarHBondContact O-CG 3.42Å; I505-L509 PolarHBondContact O-N 3.23Å; E506-L509 PolarHBondContact O-N 3.46Å; L509-E513 PolarHBondContact O-N 3.4Å; L509-A546 HydrophobicContact CD1-CB 4.26Å; L509-A546 HydrophobicContact CD2-CB 3.99Å; L509-V547 HydrophobicContact CD2-CB 4.46Å; L509-V547 HydrophobicContact CD2-CG2 3.74Å; L509-V547 HydrophobicContact CG-CG2 3.76Å; L509-K550 HydrophobicContact CD2-CB 4.38Å; L509-K550 HydrophobicContact CD2-CD 3.94Å; L509-K550 WeakPolarHBondContact O-CE 3.28Å; L509-K550 PolarHBondContact O-NZ 3.5Å
510	K	96.4	Very high	92.8	Very high	129 Å²	129	73.3 Å²	73.3	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-69.2	-46.8	174.4	-179.7	173.8	172.2	176.1	0	112.1	E506 R507 C508 L512 E513 E514	E506-K510 PolarHBondContact O-N 3.34Å; R507-K510 PolarHBondContact O-N 2.95Å; C508-K510 VanDerWaalsContact C-N 3.29Å; C508-K510 PolarHBondContact O-N 3.04Å; K510-L512 VanDerWaalsContact C-N 3.27Å; K510-L512 PolarHBondContact O-N 3.45Å; K510-E513 VanDerWaalsContact O-CB 3.31Å; K510-E513 WeakPolarHBondContact O-CB 3.5Å; K510-E513 PolarHBondContact O-N 3.42Å; K510-E514 WeakPolarHBondContact CE-OE1 3.48Å; K510-E514 IonicContact NZ-OE1 2.77Å; K510-E514 PolarHBondContact O-N 2.89Å
511	A	96.4	Very high	92.5	Very high	6 Å²	6	70 Å²	70	5%	0.05	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-30.4	179.3	0	0	0	0	0	112.7	L490 D493 I494 R507 C508 L515	L490-A511 HydrophobicContact CD2-CB 4.05Å; D493-A511 HydrophobicContact CB-CB 4.48Å; I494-A511 HydrophobicContact CD1-CB 4.23Å; I494-A511 HydrophobicContact CG1-CB 3.62Å; R507-A511 VanDerWaalsContact O-CB 3.3Å; R507-A511 WeakPolarHBondContact O-CB 3.09Å; R507-A511 PolarHBondContact O-N 3.41Å; C508-A511 PolarHBondContact O-N 2.81Å; A511-L515 WeakPolarHBondContact O-CB 3.31Å; A511-L515 PolarHBondContact O-N 2.92Å
512	L	95.6	Very high	92.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-35.1	170.1	-73.3	169.7	0	0	0	112.7	I494 C508 K510 L515 E516 L535 V547 K550 A551 V554	I494-L512 HydrophobicContact CD1-CD2 3.9Å; I494-L512 HydrophobicContact CD1-CG 4.25Å; C508-L512 WeakPolarHBondContact O-CG 3.27Å; C508-L512 PolarHBondContact O-N 2.81Å; K510-L512 VanDerWaalsContact C-N 3.27Å; K510-L512 PolarHBondContact O-N 3.45Å; L512-L515 PolarHBondContact O-N 2.97Å; L512-E516 PolarHBondContact O-N 3.41Å; L512-E516 VanDerWaalsContact O-N 3.08Å; L512-L535 HydrophobicContact CD2-CD2 3.53Å; L512-V547 HydrophobicContact CD1-CG1 4.34Å; L512-K550 HydrophobicContact CB-CD 4.15Å; L512-K550 HydrophobicContact CB-CG 4.19Å; L512-K550 HydrophobicContact CD1-CB 4.35Å; L512-A551 HydrophobicContact CD1-CB 4.14Å; L512-A551 HydrophobicContact CD2-CB 4.16Å; L512-V554 WeakPolarHBondContact O-CG2 3.09Å
513	E	95.6	Very high	91.9	Very high	118 Å²	118	68.6 Å²	68.6	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-70	-47.2	175.8	-154.2	170	123.8	0	0	111.9	L509 K510 L515 E516 A517 K550	L509-E513 PolarHBondContact O-N 3.4Å; K510-E513 VanDerWaalsContact O-CB 3.31Å; K510-E513 WeakPolarHBondContact O-CB 3.5Å; K510-E513 PolarHBondContact O-N 3.42Å; E513-L515 PolarHBondContact O-N 2.79Å; E513-E516 WeakPolarHBondContact O-CB 3.46Å; E513-E516 PolarHBondContact O-N 3.29Å; E513-E516 VanDerWaalsContact O-N 3.08Å; E513-A517 PolarHBondContact O-N 2.87Å; E513-A517 VanDerWaalsContact O-N 3.13Å; E513-K550 IonicContact OE2-NZ 3.04Å; E513-K550 PolarHBondContact OE2-NZ 2.95Å
514	E	94.8	Very high	91.6	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-36	174.5	-70.1	-176.3	-157.8	0	0	111	L490 K510 A517 V518	L490-E514 HydrophobicContact CD1-CB 4.03Å; L490-E514 HydrophobicContact CD2-CB 3.75Å; K510-E514 WeakPolarHBondContact CE-OE1 3.48Å; K510-E514 IonicContact NZ-OE1 2.77Å; K510-E514 PolarHBondContact O-N 2.89Å; E514-A517 PolarHBondContact O-N 2.86Å; E514-V518 WeakPolarHBondContact O-CG2 3.48Å; E514-V518 PolarHBondContact O-N 3.06Å
515	L	93	Very high	91.1	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-32.3	175.2	-177.8	60.5	0	0	0	112.9	L487 L490 I494 A511 L512 E513 A517 V531 L535 V554	L487-L515 HydrophobicContact CD1-CD1 3.49Å; L487-L515 VanDerWaalsContact CD1-CD1 3.49Å; L487-L515 HydrophobicContact CG-CD1 3.78Å; L490-L515 HydrophobicContact CD1-CB 4.11Å; L490-L515 HydrophobicContact CD1-CD1 4.43Å; I494-L515 HydrophobicContact CD1-CD2 3.99Å; A511-L515 WeakPolarHBondContact O-CB 3.31Å; A511-L515 PolarHBondContact O-N 2.92Å; L512-L515 PolarHBondContact O-N 2.97Å; E513-L515 PolarHBondContact O-N 2.79Å; L515-A517 VanDerWaalsContact C-N 3.3Å; L515-V531 HydrophobicContact CD1-CG1 4.13Å; L515-V531 HydrophobicContact CD2-CG1 3.94Å; L515-L535 HydrophobicContact CD2-CD1 4.2Å; L515-L535 HydrophobicContact CD2-CD2 4.25Å; L515-L535 HydrophobicContact CD2-CG 4.48Å; L515-V554 HydrophobicContact CD2-CG1 4.03Å; L515-V554 HydrophobicContact CG-CG1 4.07Å
516	E	91.4	Very high	90.6	Very high	76 Å²	76	66 Å²	66	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-69.7	-29.2	173.5	-151.8	-163.8	140.3	0	0	112.8	L512 E513 V554 K557	L512-E516 PolarHBondContact O-N 3.41Å; L512-E516 VanDerWaalsContact O-N 3.08Å; E513-E516 WeakPolarHBondContact O-CB 3.46Å; E513-E516 PolarHBondContact O-N 3.29Å; E513-E516 VanDerWaalsContact O-N 3.08Å; E516-V554 HydrophobicContact CB-CG2 3.97Å; E516-V554 HydrophobicContact CG-CG2 4.02Å; E516-K557 HydrophobicContact CG-CD 3.64Å; E516-K557 WeakPolarHBondContact OE1-CD 3.42Å; E516-K557 IonicContact OE1-NZ 3.9Å; E516-K557 PolarHBondContact OE1-NZ 3.06Å
517	A	91.1	Very high	90.2	Very high	81 Å²	81	65.5 Å²	65.5	67%	0.669	33%	0.333	S	S	*	.	H	α-helix	trans	-84.6	-15.8	-179.4	0	0	0	0	0	113.9	E513 E514 L515 P519	E513-A517 PolarHBondContact O-N 2.87Å; E513-A517 VanDerWaalsContact O-N 3.13Å; E514-A517 PolarHBondContact O-N 2.86Å; L515-A517 VanDerWaalsContact C-N 3.3Å; A517-P519 WeakPolarHBondContact O-CD 3.28Å
518	V	89.3	Confident	89.9	Confident	15 Å²	15	59.9 Å²	59.9	9%	0.091	31%	0.313	C	S	.	.	S	Bend	trans	-68.2	128.6	175.5	-176.1	0	0	0	0	110.2	P483 R486 L487 L490 E514 V520	P483-V518 HydrophobicContact CB-CG1 3.69Å; R486-V518 HydrophobicContact CB-CG2 4.03Å; L487-V518 HydrophobicContact CD1-CB 3.83Å; L487-V518 HydrophobicContact CD1-CG1 3.69Å; L487-V518 HydrophobicContact CD1-CG2 4.07Å; L490-V518 HydrophobicContact CD1-CG2 3.96Å; E514-V518 WeakPolarHBondContact O-CG2 3.48Å; E514-V518 PolarHBondContact O-N 3.06Å; V518-V520 VanDerWaalsContact C-N 3.29Å; V518-V520 HydrophobicContact CB-CG2 4.26Å; V518-V520 HydrophobicContact CG1-CG2 4.12Å; V518-V520 PolarHBondContact O-N 2.91Å
519	P	82.4	Confident	89.7	Confident	94 Å²	94	62.7 Å²	62.7	61%	0.61	34%	0.336	S	S	*	.			trans	-73.5	80.8	174.6	30.3	-35.3	0	0	0	111.1	A517	A517-P519 WeakPolarHBondContact O-CD 3.28Å
520	V	84.4	Confident	89.5	Confident	16 Å²	16	66.5 Å²	66.5	10%	0.097	35%	0.353	C	S	.	.			trans	-76.8	125.6	179	178.1	0	0	0	0	111.2	L487 V518 I524 L525 L558	L487-V520 HydrophobicContact CD1-CG2 3.5Å; L487-V520 VanDerWaalsContact CD1-CG2 3.5Å; L487-V520 HydrophobicContact CD2-CG1 4.47Å; L487-V520 HydrophobicContact CD2-CG2 3.91Å; L487-V520 HydrophobicContact CG-CG2 4.37Å; V518-V520 VanDerWaalsContact C-N 3.29Å; V518-V520 HydrophobicContact CB-CG2 4.26Å; V518-V520 HydrophobicContact CG1-CG2 4.12Å; V518-V520 PolarHBondContact O-N 2.91Å; V520-I524 HydrophobicContact CG1-CG2 4.37Å; V520-L525 HydrophobicContact CG1-CB 3.75Å; V520-L525 HydrophobicContact CG1-CD1 4.07Å; V520-L525 HydrophobicContact CG1-CD2 4.3Å; V520-L525 HydrophobicContact CG1-CG 4.26Å; V520-L558 HydrophobicContact CB-CD2 3.89Å; V520-L558 HydrophobicContact CG1-CD2 3.96Å; V520-L558 HydrophobicContact CG2-CD2 3.85Å
521	T	85.6	Confident	89.3	Confident	72 Å²	72	60.6 Å²	60.6	44%	0.442	33%	0.328	S	S	.	.			trans	-94.5	159.8	168.4	71.6	0	0	0	0	110.9	Q523 I524 L525	T521-Q523 PolarHBondContact O-N 2.88Å; T521-I524 HydrophobicContact CG2-CD1 4.3Å; T521-I524 PolarHBondContact O-N 3.34Å; T521-I524 VanDerWaalsContact O-N 3.14Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.23Å; T521-I524 PolarHBondContact OG1-N 3.44Å; T521-L525 PolarHBondContact O-N 2.95Å
522	S	84.3	Confident	89.1	Confident	50 Å²	50	61.7 Å²	61.7	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-55.5	-35.8	177.5	179.3	0	0	0	0	112.8	L525 H526	S522-L525 PolarHBondContact O-N 3.34Å; S522-H526 PolarHBondContact O-N 3.35Å; S522-H526 PolarHBondContact O-ND1 3.24Å
523	Q	83.6	Confident	89.1	Confident	155 Å²	155	63.9 Å²	63.9	72%	0.724	35%	0.35	S	S	*	.	H	α-helix	trans	-68.2	-43	176.8	-69.4	-179.5	-14.7	0	0	113	T521 L525 H526 K527	T521-Q523 PolarHBondContact O-N 2.88Å; Q523-L525 VanDerWaalsContact C-N 3.26Å; Q523-L525 PolarHBondContact O-N 3.38Å; Q523-H526 PolarHBondContact O-N 3.28Å; Q523-K527 PolarHBondContact O-N 2.94Å
524	I	86.8	Confident	89.1	Confident	23 Å²	23	59.1 Å²	59.1	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-38.9	175.4	-68.2	168.8	0	0	0	110	P483 L487 V520 T521 K527 N528	P483-I524 HydrophobicContact CB-CD1 4.1Å; P483-I524 HydrophobicContact CG-CD1 3.8Å; L487-I524 HydrophobicContact CD2-CG2 4.05Å; V520-I524 HydrophobicContact CG1-CG2 4.37Å; T521-I524 HydrophobicContact CG2-CD1 4.3Å; T521-I524 PolarHBondContact O-N 3.34Å; T521-I524 VanDerWaalsContact O-N 3.14Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.23Å; T521-I524 PolarHBondContact OG1-N 3.44Å; I524-K527 PolarHBondContact O-N 3.26Å; I524-N528 PolarHBondContact O-N 2.98Å; I524-N528 PolarHBondContact O-ND2 3.33Å
525	L	84.4	Confident	89.1	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-73.3	-31.3	-178.4	-160.3	53.1	0	0	0	113.7	V520 T521 S522 Q523 N528 A529 I532 L558 F562	V520-L525 HydrophobicContact CG1-CB 3.75Å; V520-L525 HydrophobicContact CG1-CD1 4.07Å; V520-L525 HydrophobicContact CG1-CD2 4.3Å; V520-L525 HydrophobicContact CG1-CG 4.26Å; T521-L525 PolarHBondContact O-N 2.95Å; S522-L525 PolarHBondContact O-N 3.34Å; Q523-L525 VanDerWaalsContact C-N 3.26Å; Q523-L525 PolarHBondContact O-N 3.38Å; L525-N528 CarbonylContact O-C 3.54Å; L525-A529 PolarHBondContact O-N 2.86Å; L525-I532 HydrophobicContact CD1-CD1 3.79Å; L525-I532 HydrophobicContact CD1-CG1 3.57Å; L525-I532 HydrophobicContact CD2-CD1 4.24Å; L525-I532 HydrophobicContact CD2-CG1 4.38Å; L525-I532 HydrophobicContact CG-CD1 4.35Å; L525-I532 HydrophobicContact CG-CG1 4.03Å; L525-L558 HydrophobicContact CD1-CD2 4.31Å; L525-L558 HydrophobicContact CD2-CB 4.08Å; L525-L558 HydrophobicContact CD2-CD2 4.26Å; L525-F562 HydrophobicContact CD2-CB 4.23Å; L525-F562 HydrophobicContact CD2-CD2 4.18Å
526	H	85.3	Confident	89.1	Confident	113 Å²	113	59.7 Å²	59.7	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.3	170.4	-80.3	100.6	0	0	0	111.8	S522 Q523 F562	S522-H526 PolarHBondContact O-N 3.35Å; S522-H526 PolarHBondContact O-ND1 3.24Å; Q523-H526 PolarHBondContact O-N 3.28Å; H526-F562 AromaticContact CD2-CE2 3.92Å; H526-F562 AromaticContact CE1-CE2 3.34Å; H526-F562 WeakPolarHBondContact CE1-CE2 3.34Å; H526-F562 AromaticContact CE1-CZ 3.7Å; H526-F562 AromaticContact ND1-CE2 3.76Å; H526-F562 AromaticContact NE2-CE2 3.43Å; H526-F562 WeakPolarHBondContact NE2-CE2 3.45Å; H526-F562 AromaticContact NE2-CZ 3.43Å; H526-F562 WeakPolarHBondContact NE2-CZ 3.48Å
527	K	87.4	Confident	89.3	Confident	155 Å²	155	63 Å²	63	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-41.7	176.8	-68.2	178.1	177.7	-176.2	0	112	E484 Q523 I524 A529	E484-K527 WeakPolarHBondContact OE1-CB 3.31Å; Q523-K527 PolarHBondContact O-N 2.94Å; I524-K527 PolarHBondContact O-N 3.26Å; K527-A529 VanDerWaalsContact C-N 3.34Å; K527-A529 PolarHBondContact O-N 2.96Å
528	N	88.6	Confident	89.5	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.053	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	42.4	-175.6	-63.3	-79.3	0	0	0	112.8	E484 L487 Q488 I524 L525 E530 V531	E484-N528 PolarHBondContact OE1-ND2 3.33Å; E484-N528 PolarHBondContact OE2-ND2 2.98Å; L487-N528 HydrophobicContact CD2-CB 3.94Å; Q488-N528 WeakPolarHBondContact CG-OD1 2.92Å; Q488-N528 PolarHBondContact NE2-OD1 3.31Å; Q488-N528 VanDerWaalsContact NE2-OD1 3.15Å; I524-N528 PolarHBondContact O-N 2.98Å; I524-N528 PolarHBondContact O-ND2 3.33Å; L525-N528 CarbonylContact O-C 3.54Å; N528-E530 PolarHBondContact O-N 2.85Å; N528-E530 VanDerWaalsContact O-N 3.08Å; N528-V531 HydrophobicContact CB-CG2 3.8Å; N528-V531 VanDerWaalsContact O-CB 3.31Å; N528-V531 WeakPolarHBondContact O-CB 3.47Å; N528-V531 WeakPolarHBondContact O-CG2 3.45Å; N528-V531 PolarHBondContact O-N 2.96Å
529	A	90.7	Very high	89.8	Confident	60 Å²	60	63.3 Å²	63.3	50%	0.496	33%	0.327	S	S	.	.	H	α-helix	trans	-56.6	-26	179.5	0	0	0	0	0	113.3	L525 K527 V531 I532 A533	L525-A529 PolarHBondContact O-N 2.86Å; K527-A529 VanDerWaalsContact C-N 3.34Å; K527-A529 PolarHBondContact O-N 2.96Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 3.23Å; A529-I532 PolarHBondContact O-N 3.41Å; A529-A533 PolarHBondContact O-N 3.03Å
530	E	92.4	Very high	90.4	Very high	121 Å²	121	68 Å²	68	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-32.5	174.1	-63.5	-151.6	170.5	0	0	113.8	H491 N528 I532 A533 T534	H491-E530 WeakPolarHBondContact CE1-CB 3.39Å; H491-E530 IonicContact CE1-OE2 3.32Å; H491-E530 PolarHBondContact CE1-OE2 3.48Å; H491-E530 PolarHBondContact NE2-O 3.29Å; N528-E530 PolarHBondContact O-N 2.85Å; N528-E530 VanDerWaalsContact O-N 3.08Å; E530-I532 VanDerWaalsContact C-N 3.33Å; E530-A533 PolarHBondContact O-N 3.45Å; E530-T534 VanDerWaalsContact O-CB 3.24Å; E530-T534 WeakPolarHBondContact O-CB 3.37Å; E530-T534 PolarHBondContact O-N 2.98Å; E530-T534 PolarHBondContact O-OG1 3.48Å
531	V	93	Very high	90.9	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-48.9	174.8	179.6	0	0	0	0	109	L487 H491 L515 N528 A529 T534 L535	L487-V531 HydrophobicContact CB-CG2 4.32Å; L487-V531 HydrophobicContact CD2-CG2 4.17Å; L487-V531 HydrophobicContact CG-CG2 4.11Å; H491-V531 HydrophobicContact CB-CG2 4.07Å; L515-V531 HydrophobicContact CD1-CG1 4.13Å; L515-V531 HydrophobicContact CD2-CG1 3.94Å; N528-V531 HydrophobicContact CB-CG2 3.8Å; N528-V531 VanDerWaalsContact O-CB 3.31Å; N528-V531 WeakPolarHBondContact O-CB 3.47Å; N528-V531 WeakPolarHBondContact O-CG2 3.45Å; N528-V531 PolarHBondContact O-N 2.96Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 3.23Å; V531-T534 PolarHBondContact O-N 2.85Å; V531-L535 HydrophobicContact CG1-CD1 4.19Å; V531-L535 WeakPolarHBondContact O-CG 3.42Å; V531-L535 PolarHBondContact O-N 2.98Å
532	I	92.1	Very high	91.3	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-41.6	178.4	-66.6	-56.9	0	0	0	111.7	L525 A529 E530 T534 L535 K536 Y555 L558	L525-I532 HydrophobicContact CD1-CD1 3.79Å; L525-I532 HydrophobicContact CD1-CG1 3.57Å; L525-I532 HydrophobicContact CD2-CD1 4.24Å; L525-I532 HydrophobicContact CD2-CG1 4.38Å; L525-I532 HydrophobicContact CG-CD1 4.35Å; L525-I532 HydrophobicContact CG-CG1 4.03Å; A529-I532 PolarHBondContact O-N 3.41Å; E530-I532 VanDerWaalsContact C-N 3.33Å; I532-T534 PolarHBondContact O-N 3.09Å; I532-L535 HydrophobicContact CD1-CD1 4.28Å; I532-K536 HydrophobicContact CG2-CD 4.48Å; I532-K536 WeakPolarHBondContact O-CB 3.17Å; I532-K536 VanDerWaalsContact O-CG 3.29Å; I532-K536 WeakPolarHBondContact O-CG 3.33Å; I532-K536 PolarHBondContact O-N 3.34Å; I532-Y555 HydrophobicContact CG2-CD2 4.41Å; I532-Y555 HydrophobicContact CG2-CE2 3.94Å; I532-L558 HydrophobicContact CD1-CB 3.89Å; I532-L558 HydrophobicContact CD1-CD1 3.88Å; I532-L558 HydrophobicContact CD1-CG 4.49Å
533	A	94.7	Very high	91.7	Very high	46 Å²	46	76.4 Å²	76.4	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-31.7	174.4	0	0	0	0	0	112.5	A529 E530 K537	A529-A533 PolarHBondContact O-N 3.03Å; E530-A533 PolarHBondContact O-N 3.45Å; A533-K537 WeakPolarHBondContact O-CG 3.37Å; A533-K537 PolarHBondContact O-N 2.94Å
534	T	95.2	Very high	92.2	Very high	18 Å²	18	70 Å²	70	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-79	-46.1	180	-58.3	0	0	0	0	111.1	H491 I494 K495 E530 V531 I532 K536 K537 I538	H491-T534 PolarHBondContact CD2-OG1 3.39Å; H491-T534 WeakPolarHBondContact NE2-CB 3.43Å; H491-T534 PolarHBondContact NE2-OG1 3.3Å; I494-T534 HydrophobicContact CG2-CG2 4.43Å; K495-T534 HydrophobicContact CG-CG2 4.17Å; E530-T534 VanDerWaalsContact O-CB 3.24Å; E530-T534 WeakPolarHBondContact O-CB 3.37Å; E530-T534 PolarHBondContact O-N 2.98Å; E530-T534 PolarHBondContact O-OG1 3.48Å; V531-T534 PolarHBondContact O-N 2.85Å; I532-T534 PolarHBondContact O-N 3.09Å; T534-K536 VanDerWaalsContact C-N 3.3Å; T534-K536 PolarHBondContact O-N 2.98Å; T534-K537 WeakPolarHBondContact O-CA 3.28Å; T534-K537 WeakPolarHBondContact O-CB 3.4Å; T534-K537 PolarHBondContact O-N 3.33Å; T534-I538 HydrophobicContact CG2-CD1 3.86Å; T534-I538 WeakPolarHBondContact O-CG1 3.4Å; T534-I538 PolarHBondContact O-N 3.35Å
535	L	94.7	Very high	92.7	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-53.7	-46.2	169.8	-73.3	168.9	0	0	0	111.4	L512 L515 V531 I532 K537 I538 R539 A551 V554 Y555 L558	L512-L535 HydrophobicContact CD2-CD2 3.53Å; L515-L535 HydrophobicContact CD2-CD1 4.2Å; L515-L535 HydrophobicContact CD2-CD2 4.25Å; L515-L535 HydrophobicContact CD2-CG 4.48Å; V531-L535 HydrophobicContact CG1-CD1 4.19Å; V531-L535 WeakPolarHBondContact O-CG 3.42Å; V531-L535 PolarHBondContact O-N 2.98Å; I532-L535 HydrophobicContact CD1-CD1 4.28Å; L535-K537 PolarHBondContact O-N 2.97Å; L535-K537 VanDerWaalsContact O-N 3.13Å; L535-I538 PolarHBondContact O-N 3.41Å; L535-R539 WeakPolarHBondContact O-CG 3.26Å; L535-R539 PolarHBondContact O-N 3.18Å; L535-A551 HydrophobicContact CD2-CB 4.15Å; L535-V554 HydrophobicContact CD1-CG1 3.93Å; L535-V554 HydrophobicContact CD2-CB 4.42Å; L535-V554 HydrophobicContact CD2-CG1 4.09Å; L535-Y555 HydrophobicContact CB-CD2 4.41Å; L535-L558 HydrophobicContact CD1-CD1 3.53Å
536	K	95	Very high	93.2	Very high	106 Å²	106	74.2 Å²	74.2	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-55.7	-28.5	174.7	-78.3	177	180	-179	0	114.2	I532 T534 Y555	I532-K536 HydrophobicContact CG2-CD 4.48Å; I532-K536 WeakPolarHBondContact O-CB 3.17Å; I532-K536 VanDerWaalsContact O-CG 3.29Å; I532-K536 WeakPolarHBondContact O-CG 3.33Å; I532-K536 PolarHBondContact O-N 3.34Å; T534-K536 VanDerWaalsContact C-N 3.3Å; T534-K536 PolarHBondContact O-N 2.98Å; K536-Y555 HydrophobicContact CD-CE2 4.23Å; K536-Y555 WeakPolarHBondContact CE-OH 3.34Å; K536-Y555 HydrophobicContact CG-CD2 4.11Å; K536-Y555 HydrophobicContact CG-CE2 3.59Å
537	K	94.9	Very high	93.7	Very high	144 Å²	144	68.9 Å²	68.9	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-79.1	-43.4	174	-67.4	170.7	-177.6	180	0	111.2	A533 T534 L535 R539 R540	A533-K537 WeakPolarHBondContact O-CG 3.37Å; A533-K537 PolarHBondContact O-N 2.94Å; T534-K537 WeakPolarHBondContact O-CA 3.28Å; T534-K537 WeakPolarHBondContact O-CB 3.4Å; T534-K537 PolarHBondContact O-N 3.33Å; L535-K537 PolarHBondContact O-N 2.97Å; L535-K537 VanDerWaalsContact O-N 3.13Å; K537-R539 VanDerWaalsContact C-N 3.29Å; K537-R539 PolarHBondContact O-N 3.47Å; K537-R540 PolarHBondContact O-N 2.92Å
538	I	95	Very high	94.2	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-28.9	-176.6	-60.6	166.6	0	0	0	112	I494 L498 T534 L535 R540 Y541 V547 A551	I494-I538 HydrophobicContact CG2-CD1 3.2Å; L498-I538 HydrophobicContact CD1-CB 4.41Å; L498-I538 HydrophobicContact CD1-CD1 3.81Å; L498-I538 HydrophobicContact CD1-CG1 3.66Å; L498-I538 HydrophobicContact CD1-CG2 3.9Å; T534-I538 HydrophobicContact CG2-CD1 3.86Å; T534-I538 WeakPolarHBondContact O-CG1 3.4Å; T534-I538 PolarHBondContact O-N 3.35Å; L535-I538 PolarHBondContact O-N 3.41Å; I538-R540 PolarHBondContact O-N 3.26Å; I538-Y541 WeakPolarHBondContact O-CB 3.41Å; I538-Y541 PolarHBondContact O-N 2.91Å; I538-V547 HydrophobicContact CG2-CG1 3.4Å; I538-V547 VanDerWaalsContact CG2-CG1 3.4Å; I538-A551 HydrophobicContact CB-CB 3.98Å; I538-A551 HydrophobicContact CG2-CB 3.54Å
539	R	95.9	Very high	94.5	Very high	92 Å²	92	70 Å²	70	35%	0.347	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-0.3	166.8	-69.4	-170.3	70.5	-153.6	-7.4	115.4	L535 K537 M548 A551 S552	L535-R539 WeakPolarHBondContact O-CG 3.26Å; L535-R539 PolarHBondContact O-N 3.18Å; K537-R539 VanDerWaalsContact C-N 3.29Å; K537-R539 PolarHBondContact O-N 3.47Å; R539-M548 WeakPolarHBondContact O-CG 3.49Å; R539-A551 HydrophobicContact CG-CB 4.31Å; R539-S552 WeakPolarHBondContact CG-OG 3.47Å; R539-S552 PolarHBondContact NE-OG 2.72Å
540	R	94.8	Very high	94.7	Very high	191 Å²	191	69.3 Å²	69.3	72%	0.721	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	15.3	170.7	-61.5	-173.6	-66.6	-132.3	3.6	112.9	K537 I538 K542	K537-R540 PolarHBondContact O-N 2.92Å; I538-R540 PolarHBondContact O-N 3.26Å; R540-K542 PolarHBondContact O-N 3.45Å; R540-K542 VanDerWaalsContact O-N 3.12Å
541	Y	95.3	Very high	94.9	Very high	48 Å²	48	63.5 Å²	63.5	19%	0.188	32%	0.322	C	S	.	.			trans	-75	97.6	-178.6	-174.1	-105.9	0	0	0	111.2	L498 I538 A543 V547 M548	L498-Y541 HydrophobicContact CD2-CD1 4.48Å; L498-Y541 HydrophobicContact CD2-CE1 3.94Å; L498-Y541 HydrophobicContact CD2-CE2 4.1Å; I538-Y541 WeakPolarHBondContact O-CB 3.41Å; I538-Y541 PolarHBondContact O-N 2.91Å; Y541-A543 VanDerWaalsContact C-N 3.32Å; Y541-A543 HydrophobicContact CE1-CB 3.84Å; Y541-A543 HydrophobicContact CE2-CB 4.35Å; Y541-A543 PolarHBondContact O-N 3.19Å; Y541-V547 HydrophobicContact CD1-CB 4.14Å; Y541-V547 HydrophobicContact CD1-CG1 3.85Å; Y541-V547 HydrophobicContact CE1-CG1 4.49Å; Y541-V547 HydrophobicContact CG-CG1 4.42Å; Y541-M548 VanDerWaalsContact O-CE 3.27Å; Y541-M548 WeakPolarHBondContact O-CE 3.41Å
542	K	93.7	Very high	95.1	Very high	195 Å²	195	64.3 Å²	64.3	85%	0.848	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.6	-174.6	-71.6	-172.6	173.1	-174.2	0	115.1	R540 S544	R540-K542 PolarHBondContact O-N 3.45Å; R540-K542 VanDerWaalsContact O-N 3.12Å; K542-S544 VanDerWaalsContact C-N 3.32Å; K542-S544 PolarHBondContact O-N 3.45Å
543	A	91.7	Very high	95.2	Very high	73 Å²	73	67 Å²	67	60%	0.603	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.4	-175.1	0	0	0	0	0	114.5	Y541	Y541-A543 VanDerWaalsContact C-N 3.32Å; Y541-A543 HydrophobicContact CE1-CB 3.84Å; Y541-A543 HydrophobicContact CE2-CB 4.35Å; Y541-A543 PolarHBondContact O-N 3.19Å
544	S	95.2	Very high	95.2	Very high	19 Å²	19	64.9 Å²	64.9	13%	0.133	32%	0.324	C	S	.	.			trans	-152.7	115.3	165.9	174.1	0	0	0	0	110.5	K542 V547 M548	K542-S544 VanDerWaalsContact C-N 3.32Å; K542-S544 PolarHBondContact O-N 3.45Å; S544-V547 PolarHBondContact O-N 3.01Å; S544-V547 PolarHBondContact OG-N 2.98Å; S544-M548 PolarHBondContact O-N 3.46Å; S544-M548 VanDerWaalsContact O-N 3.16Å
545	A	96.6	Very high	95.2	Very high	74 Å²	74	65.7 Å²	65.7	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-62.1	-42.5	177.3	0	0	0	0	0	111.7	V547 M548 E549	A545-V547 VanDerWaalsContact C-N 3.28Å; A545-V547 PolarHBondContact O-N 3.24Å; A545-M548 WeakPolarHBondContact O-CA 3.34Å; A545-M548 WeakPolarHBondContact O-CB 3.37Å; A545-M548 PolarHBondContact O-N 3.03Å; A545-E549 WeakPolarHBondContact O-CB 3.48Å; A545-E549 PolarHBondContact O-N 2.91Å
546	A	95.7	Very high	95.1	Very high	46 Å²	46	69.1 Å²	69.1	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-36.5	177.6	0	0	0	0	0	112.7	L509 K550	L509-A546 HydrophobicContact CD1-CB 4.26Å; L509-A546 HydrophobicContact CD2-CB 3.99Å; A546-K550 VanDerWaalsContact O-CB 3.23Å; A546-K550 WeakPolarHBondContact O-CB 3.49Å; A546-K550 PolarHBondContact O-N 3.03Å
547	V	95.9	Very high	94.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-38.7	174.4	167.5	0	0	0	0	111.1	L498 I505 C508 L509 L512 I538 Y541 S544 A545 A551	L498-V547 HydrophobicContact CD1-CG1 4.29Å; I505-V547 HydrophobicContact CG2-CG2 3.99Å; C508-V547 HydrophobicContact CB-CG2 4.37Å; L509-V547 HydrophobicContact CD2-CB 4.46Å; L509-V547 HydrophobicContact CD2-CG2 3.74Å; L509-V547 HydrophobicContact CG-CG2 3.76Å; L512-V547 HydrophobicContact CD1-CG1 4.34Å; I538-V547 HydrophobicContact CG2-CG1 3.4Å; I538-V547 VanDerWaalsContact CG2-CG1 3.4Å; Y541-V547 HydrophobicContact CD1-CB 4.14Å; Y541-V547 HydrophobicContact CD1-CG1 3.85Å; Y541-V547 HydrophobicContact CE1-CG1 4.49Å; Y541-V547 HydrophobicContact CG-CG1 4.42Å; S544-V547 PolarHBondContact O-N 3.01Å; S544-V547 PolarHBondContact OG-N 2.98Å; A545-V547 VanDerWaalsContact C-N 3.28Å; A545-V547 PolarHBondContact O-N 3.24Å; V547-A551 WeakPolarHBondContact O-CB 3.45Å; V547-A551 PolarHBondContact O-N 3.5Å
548	M	96.3	Very high	94.5	Very high	60 Å²	60	62 Å²	62	30%	0.296	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-41.2	178.2	-166.2	-165.9	-55.4	0	0	112.7	R539 Y541 S544 A545 S552	R539-M548 WeakPolarHBondContact O-CG 3.49Å; Y541-M548 VanDerWaalsContact O-CE 3.27Å; Y541-M548 WeakPolarHBondContact O-CE 3.41Å; S544-M548 PolarHBondContact O-N 3.46Å; S544-M548 VanDerWaalsContact O-N 3.16Å; A545-M548 WeakPolarHBondContact O-CA 3.34Å; A545-M548 WeakPolarHBondContact O-CB 3.37Å; A545-M548 PolarHBondContact O-N 3.03Å; M548-S552 WeakPolarHBondContact O-CB 3.37Å; M548-S552 PolarHBondContact O-N 3.06Å; M548-S552 VanDerWaalsContact O-N 3.16Å; M548-S552 PolarHBondContact O-OG 3.24Å
549	E	96.1	Very high	94.2	Very high	130 Å²	130	67 Å²	67	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-67.5	-58.3	177.1	-175.7	172.2	-154.7	0	0	110.6	A545 A551 S552 D553	A545-E549 WeakPolarHBondContact O-CB 3.48Å; A545-E549 PolarHBondContact O-N 2.91Å; E549-A551 VanDerWaalsContact C-N 3.29Å; E549-A551 PolarHBondContact O-N 2.79Å; E549-S552 VanDerWaalsContact O-CA 3.28Å; E549-S552 WeakPolarHBondContact O-CA 3.22Å; E549-S552 WeakPolarHBondContact O-CB 3.43Å; E549-S552 PolarHBondContact O-N 3.03Å; E549-D553 PolarHBondContact O-N 3.33Å
550	K	95.4	Very high	93.7	Very high	44 Å²	44	68.9 Å²	68.9	19%	0.191	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-37.3	-179.9	-159.6	173.2	-166.4	175.8	0	112.6	L509 L512 E513 A546 S552 D553 V554	L509-K550 HydrophobicContact CD2-CB 4.38Å; L509-K550 HydrophobicContact CD2-CD 3.94Å; L509-K550 WeakPolarHBondContact O-CE 3.28Å; L509-K550 PolarHBondContact O-NZ 3.5Å; L512-K550 HydrophobicContact CB-CD 4.15Å; L512-K550 HydrophobicContact CB-CG 4.19Å; L512-K550 HydrophobicContact CD1-CB 4.35Å; E513-K550 IonicContact OE2-NZ 3.04Å; E513-K550 PolarHBondContact OE2-NZ 2.95Å; A546-K550 VanDerWaalsContact O-CB 3.23Å; A546-K550 WeakPolarHBondContact O-CB 3.49Å; A546-K550 PolarHBondContact O-N 3.03Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.34Å; K550-D553 PolarHBondContact O-N 2.94Å; K550-V554 WeakPolarHBondContact O-CB 3.44Å; K550-V554 WeakPolarHBondContact O-CG2 3.41Å; K550-V554 PolarHBondContact O-N 3.38Å
551	A	96.3	Very high	93.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-22.2	172.5	0	0	0	0	0	113.7	L512 L535 I538 R539 V547 E549 Y555	L512-A551 HydrophobicContact CD1-CB 4.14Å; L512-A551 HydrophobicContact CD2-CB 4.16Å; L535-A551 HydrophobicContact CD2-CB 4.15Å; I538-A551 HydrophobicContact CB-CB 3.98Å; I538-A551 HydrophobicContact CG2-CB 3.54Å; R539-A551 HydrophobicContact CG-CB 4.31Å; V547-A551 WeakPolarHBondContact O-CB 3.45Å; V547-A551 PolarHBondContact O-N 3.5Å; E549-A551 VanDerWaalsContact C-N 3.29Å; E549-A551 PolarHBondContact O-N 2.79Å; A551-Y555 WeakPolarHBondContact O-CB 3.27Å; A551-Y555 PolarHBondContact O-N 3.26Å
552	S	96.1	Very high	92.2	Very high	20 Å²	20	70 Å²	70	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-74.2	-43.6	171.4	-63.4	0	0	0	0	111.7	R539 M548 E549 K550 Y555 N556	R539-S552 WeakPolarHBondContact CG-OG 3.47Å; R539-S552 PolarHBondContact NE-OG 2.72Å; M548-S552 WeakPolarHBondContact O-CB 3.37Å; M548-S552 PolarHBondContact O-N 3.06Å; M548-S552 VanDerWaalsContact O-N 3.16Å; M548-S552 PolarHBondContact O-OG 3.24Å; E549-S552 VanDerWaalsContact O-CA 3.28Å; E549-S552 WeakPolarHBondContact O-CA 3.22Å; E549-S552 WeakPolarHBondContact O-CB 3.43Å; E549-S552 PolarHBondContact O-N 3.03Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.34Å; S552-Y555 PolarHBondContact O-N 3.31Å; S552-N556 WeakPolarHBondContact O-CB 3.46Å; S552-N556 PolarHBondContact O-N 3.31Å; S552-N556 PolarHBondContact O-ND2 3.34Å
553	D	95.3	Very high	91.3	Very high	86 Å²	86	65.7 Å²	65.7	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-68.7	-46.6	179.7	-61.2	-37.4	0	0	0	111.9	E549 K550 Y555 N556 K557	E549-D553 PolarHBondContact O-N 3.33Å; K550-D553 PolarHBondContact O-N 2.94Å; D553-Y555 VanDerWaalsContact C-N 3.3Å; D553-Y555 PolarHBondContact O-N 3.37Å; D553-N556 PolarHBondContact O-N 2.96Å; D553-N556 VanDerWaalsContact O-N 3.13Å; D553-K557 VanDerWaalsContact O-CB 3.31Å; D553-K557 WeakPolarHBondContact O-CB 3.5Å; D553-K557 PolarHBondContact O-N 3.28Å
554	V	94.5	Very high	89.7	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-43.6	173.6	174.5	0	0	0	0	110.8	L512 L515 E516 L535 K550 L558	L512-V554 WeakPolarHBondContact O-CG2 3.09Å; L515-V554 HydrophobicContact CD2-CG1 4.03Å; L515-V554 HydrophobicContact CG-CG1 4.07Å; E516-V554 HydrophobicContact CB-CG2 3.97Å; E516-V554 HydrophobicContact CG-CG2 4.02Å; L535-V554 HydrophobicContact CD1-CG1 3.93Å; L535-V554 HydrophobicContact CD2-CB 4.42Å; L535-V554 HydrophobicContact CD2-CG1 4.09Å; K550-V554 WeakPolarHBondContact O-CB 3.44Å; K550-V554 WeakPolarHBondContact O-CG2 3.41Å; K550-V554 PolarHBondContact O-N 3.38Å; V554-L558 HydrophobicContact CG1-CD1 3.81Å; V554-L558 WeakPolarHBondContact O-CB 3.46Å; V554-L558 WeakPolarHBondContact O-CD1 3.35Å; V554-L558 VanDerWaalsContact O-CG 3.25Å; V554-L558 WeakPolarHBondContact O-CG 3.46Å; V554-L558 PolarHBondContact O-N 3.46Å
555	Y	94	Very high	87.3	Confident	36 Å²	36	72.3 Å²	72.3	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-44	174.6	173.1	-96.6	0	0	0	112.8	I532 L535 K536 A551 S552 D553 K559	I532-Y555 HydrophobicContact CG2-CD2 4.41Å; I532-Y555 HydrophobicContact CG2-CE2 3.94Å; L535-Y555 HydrophobicContact CB-CD2 4.41Å; K536-Y555 HydrophobicContact CD-CE2 4.23Å; K536-Y555 WeakPolarHBondContact CE-OH 3.34Å; K536-Y555 HydrophobicContact CG-CD2 4.11Å; K536-Y555 HydrophobicContact CG-CE2 3.59Å; A551-Y555 WeakPolarHBondContact O-CB 3.27Å; A551-Y555 PolarHBondContact O-N 3.26Å; S552-Y555 PolarHBondContact O-N 3.31Å; D553-Y555 VanDerWaalsContact C-N 3.3Å; D553-Y555 PolarHBondContact O-N 3.37Å; Y555-K559 HydrophobicContact CE1-CD 4.34Å; Y555-K559 VanDerWaalsContact O-CB 3.26Å; Y555-K559 WeakPolarHBondContact O-CB 3.48Å; Y555-K559 PolarHBondContact O-N 2.83Å
556	N	92.6	Very high	84.9	Confident	74 Å²	74	74.6 Å²	74.6	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-66.7	-41.6	179.8	-72.3	-24.5	0	0	0	111.5	S552 D553 K559 L560	S552-N556 WeakPolarHBondContact O-CB 3.46Å; S552-N556 PolarHBondContact O-N 3.31Å; S552-N556 PolarHBondContact O-ND2 3.34Å; D553-N556 PolarHBondContact O-N 2.96Å; D553-N556 VanDerWaalsContact O-N 3.13Å; N556-K559 PolarHBondContact O-N 3.35Å; N556-L560 WeakPolarHBondContact O-CB 3.36Å; N556-L560 PolarHBondContact O-N 2.93Å
557	K	89.6	Confident	82.1	Confident	90 Å²	90	81.1 Å²	81.1	39%	0.391	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-45.9	176.5	-168.9	174.4	-176.6	-177.8	0	111.5	E516 D553 L560 R561	E516-K557 HydrophobicContact CG-CD 3.64Å; E516-K557 WeakPolarHBondContact OE1-CD 3.42Å; E516-K557 IonicContact OE1-NZ 3.9Å; E516-K557 PolarHBondContact OE1-NZ 3.06Å; D553-K557 VanDerWaalsContact O-CB 3.31Å; D553-K557 WeakPolarHBondContact O-CB 3.5Å; D553-K557 PolarHBondContact O-N 3.28Å; K557-L560 PolarHBondContact O-N 2.73Å; K557-R561 WeakPolarHBondContact O-CG 3.48Å; K557-R561 PolarHBondContact O-N 3.07Å
558	L	89.4	Confident	79.3	Confident	12 Å²	12	89.6 Å²	89.6	6%	0.063	44%	0.444	C	S	.	.	H	α-helix	trans	-63.5	-41.1	173.5	-71.9	166.2	0	0	0	112	V520 L525 I532 L535 V554 L560 R561 F562	V520-L558 HydrophobicContact CB-CD2 3.89Å; V520-L558 HydrophobicContact CG1-CD2 3.96Å; V520-L558 HydrophobicContact CG2-CD2 3.85Å; L525-L558 HydrophobicContact CD1-CD2 4.31Å; L525-L558 HydrophobicContact CD2-CB 4.08Å; L525-L558 HydrophobicContact CD2-CD2 4.26Å; I532-L558 HydrophobicContact CD1-CB 3.89Å; I532-L558 HydrophobicContact CD1-CD1 3.88Å; I532-L558 HydrophobicContact CD1-CG 4.49Å; L535-L558 HydrophobicContact CD1-CD1 3.53Å; V554-L558 HydrophobicContact CG1-CD1 3.81Å; V554-L558 WeakPolarHBondContact O-CB 3.46Å; V554-L558 WeakPolarHBondContact O-CD1 3.35Å; V554-L558 VanDerWaalsContact O-CG 3.25Å; V554-L558 WeakPolarHBondContact O-CG 3.46Å; V554-L558 PolarHBondContact O-N 3.46Å; L558-L560 VanDerWaalsContact C-N 3.34Å; L558-L560 PolarHBondContact O-N 3.1Å; L558-R561 PolarHBondContact O-N 3.38Å; L558-F562 WeakPolarHBondContact O-CB 3.45Å; L558-F562 PolarHBondContact O-N 3.1Å
559	K	87.2	Confident	76.5	Confident	115 Å²	115	91.4 Å²	91.4	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-62	-39.7	174	-175.8	-171	174.6	-165	0	111.8	Y555 N556 F562 V563	Y555-K559 HydrophobicContact CE1-CD 4.34Å; Y555-K559 VanDerWaalsContact O-CB 3.26Å; Y555-K559 WeakPolarHBondContact O-CB 3.48Å; Y555-K559 PolarHBondContact O-N 2.83Å; N556-K559 PolarHBondContact O-N 3.35Å; K559-F562 WeakPolarHBondContact O-CB 3.32Å; K559-F562 PolarHBondContact O-N 3.41Å; K559-F562 VanDerWaalsContact O-N 3.16Å; K559-V563 HydrophobicContact CG-CG2 4.4Å; K559-V563 WeakPolarHBondContact O-CG2 3.32Å; K559-V563 PolarHBondContact O-N 3.37Å
560	L	86.4	Confident	73.8	Confident	133 Å²	133	89.4 Å²	89.4	70%	0.696	47%	0.474	S	S	*	.	H	α-helix	trans	-68.9	-38.1	177.9	-169.3	63.5	0	0	0	111.7	N556 K557 L558 F562 G564	N556-L560 WeakPolarHBondContact O-CB 3.36Å; N556-L560 PolarHBondContact O-N 2.93Å; K557-L560 PolarHBondContact O-N 2.73Å; L558-L560 VanDerWaalsContact C-N 3.34Å; L558-L560 PolarHBondContact O-N 3.1Å; L560-F562 PolarHBondContact O-N 3.3Å; L560-G564 WeakPolarHBondContact O-CA 3.49Å; L560-G564 PolarHBondContact O-N 3.49Å
561	R	81.8	Confident	71.1	Confident	171 Å²	171	96.7 Å²	96.7	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-19.8	169.6	-67.3	-63.8	-163.9	-146.1	2.3	113.9	K557 L558	K557-R561 WeakPolarHBondContact O-CG 3.48Å; K557-R561 PolarHBondContact O-N 3.07Å; L558-R561 PolarHBondContact O-N 3.38Å
562	F	76.8	Confident	68.3	Low	92 Å²	92	102.5 Å²	102.5	40%	0.404	54%	0.544	S	S	.	.	H	α-helix	trans	-88.3	-42	178.4	-173.3	-91.7	0	0	0	112.9	L525 H526 L558 K559 L560	L525-F562 HydrophobicContact CD2-CB 4.23Å; L525-F562 HydrophobicContact CD2-CD2 4.18Å; H526-F562 AromaticContact CD2-CE2 3.92Å; H526-F562 AromaticContact CE1-CE2 3.34Å; H526-F562 WeakPolarHBondContact CE1-CE2 3.34Å; H526-F562 AromaticContact CE1-CZ 3.7Å; H526-F562 AromaticContact ND1-CE2 3.76Å; H526-F562 AromaticContact NE2-CE2 3.43Å; H526-F562 WeakPolarHBondContact NE2-CE2 3.45Å; H526-F562 AromaticContact NE2-CZ 3.43Å; H526-F562 WeakPolarHBondContact NE2-CZ 3.48Å; L558-F562 WeakPolarHBondContact O-CB 3.45Å; L558-F562 PolarHBondContact O-N 3.1Å; K559-F562 WeakPolarHBondContact O-CB 3.32Å; K559-F562 PolarHBondContact O-N 3.41Å; K559-F562 VanDerWaalsContact O-N 3.16Å; L560-F562 PolarHBondContact O-N 3.3Å
563	V	74.9	Confident	65.3	Low	103 Å²	103	111.2 Å²	111.2	62%	0.624	58%	0.579	S	S	*	*	H	α-helix	trans	-89.5	-28.3	-177.4	-179.7	0	0	0	0	112.3	K559 K565	K559-V563 HydrophobicContact CG-CG2 4.4Å; K559-V563 WeakPolarHBondContact O-CG2 3.32Å; K559-V563 PolarHBondContact O-N 3.37Å; V563-K565 PolarHBondContact O-N 3.18Å
564	G	57.9	Low	62.7	Low	40 Å²	40	114.2 Å²	114.2	41%	0.412	59%	0.594	S	S	.	*	S	Bend	trans	-66.6	116.5	171.6	0	0	0	0	0	110.8	L560	L560-G564 WeakPolarHBondContact O-CA 3.49Å; L560-G564 PolarHBondContact O-N 3.49Å
565	K	43.6	Very low	59.7	Low	192 Å²	192	123.2 Å²	123.2	84%	0.835	64%	0.636	S	S	*	*			trans	-55	142.5	166.8	-66.3	174.9	179.9	174.7	0	108.9	V563 E567	V563-K565 PolarHBondContact O-N 3.18Å; K565-E567 PolarHBondContact O-N 3.23Å
566	P	47.6	Very low	56.7	Low	122 Å²	122	128.4 Å²	128.4	79%	0.792	67%	0.666	S	S	*	*			trans	-68	99.1	166	29.2	-32.1	0	0	0	108.2	M568	P566-M568 PolarHBondContact O-N 3.24Å; P566-M568 VanDerWaalsContact O-N 3.16Å
567	E	35.8	Very low	54	Low	182 Å²	182	133.6 Å²	133.6	85%	0.85	69%	0.685	S	S	*	*			trans	-61.2	116.3	164.1	-169.2	173.8	126.6	0	0	107.4	K565 A569	K565-E567 PolarHBondContact O-N 3.23Å; E567-A569 PolarHBondContact O-N 3.27Å
568	M	37	Very low	51.2	Low	178 Å²	178	136.2 Å²	136.2	88%	0.877	70%	0.699	S	S	*	*			trans	-66	129.7	-178.3	-70.6	-177	173.3	0	0	108.9	P566 A570	P566-M568 PolarHBondContact O-N 3.24Å; P566-M568 VanDerWaalsContact O-N 3.16Å; M568-A570 PolarHBondContact O-N 3.2Å
569	A	38.8	Very low	48.4	Very low	99 Å²	99	141 Å²	141	82%	0.818	73%	0.728	S	S	*	*			trans	-56.5	105	-174.4	0	0	0	0	0	111.9	E567 K571	E567-A569 PolarHBondContact O-N 3.27Å; A569-K571 PolarHBondContact O-N 2.98Å
570	A	38.9	Very low	45.8	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	74%	0.743	S	S	*	*			trans	-60.9	127.5	163.6	0	0	0	0	0	108.2	M568 P572	M568-A570 PolarHBondContact O-N 3.2Å; A570-P572 VanDerWaalsContact O-CD 3.28Å; A570-P572 WeakPolarHBondContact O-CD 3.34Å
571	K	39.3	Very low	43.1	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	74%	0.742	S	S	*	*			trans	-64	119.4	-173.4	-60.8	174.3	-178.6	178.3	0	110.4	A569 K573	A569-K571 PolarHBondContact O-N 2.98Å; K571-K573 PolarHBondContact O-N 3.09Å; K571-K573 VanDerWaalsContact O-N 3.16Å
572	P	36.8	Very low	40.6	Very low	122 Å²	122	141 Å²	141	79%	0.792	74%	0.742	S	S	*	*			trans	-68.6	112	161	29.1	-30.9	0	0	0	107.7	A570	A570-P572 VanDerWaalsContact O-CD 3.28Å; A570-P572 WeakPolarHBondContact O-CD 3.34Å
573	K	34.4	Very low	38.4	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	75%	0.751	S	S	*	*			trans	-78.4	134.7	171.3	-158	178.3	-177.2	-172.1	0	107.6	K571 E575	K571-K573 PolarHBondContact O-N 3.09Å; K571-K573 VanDerWaalsContact O-N 3.16Å; K573-E575 PolarHBondContact O-N 3.43Å
574	I	39.5	Very low	36.4	Very low	148 Å²	148	145 Å²	145	76%	0.759	75%	0.753	S	S	*	*			trans	-69.8	128.4	-176.8	-59.9	165.4	0	0	0	109.7
575	E	32.1	Very low	35.2	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	77%	0.769	S	S	*	*			trans	-141	139.4	150.7	-154.6	163.7	139.1	0	0	108.6	K573	K573-E575 PolarHBondContact O-N 3.43Å
576	N	31.5	Very low	34.6	Very low	146 Å²	146	146 Å²	146	78%	0.781	76%	0.76	S	S	*	*			trans	-93.2	147.1	-176.8	-58.4	-54.3	0	0	0	110
577	K	33.9	Very low	33.9	Very low	182 Å²	182	149.4 Å²	149.4	79%	0.791	77%	0.765	S	S	*	*				-169.4	152.6	115.5	-157.3	151.9	-176.1	177.5	0	114.2
578	E	32.3	Very low	33.6	Very low	146 Å²	146	147.5 Å²	147.5	68%	0.682	76%	0.761	S	S	*	*			trans	-46.5	166.9	162.6	-53.4	137.8	138.9	0	0	114
579	T	30.5	Very low	33.3	Very low	112 Å²	112	144.7 Å²	144.7	69%	0.687	75%	0.754	S	S	*	*			cis	-162.5	163.4	15.9	-15.1	0	0	0	0	110.6
580	E	32.5	Very low	32.7	Very low	173 Å²	173	148.4 Å²	148.4	81%	0.808	75%	0.754	S	S	*	*			trans	57.5	167.5	154.8	-75.2	176.4	96.4	0	0	118.8
581	N	28.8	Very low	32.5	Very low	126 Å²	126	148.9 Å²	148.9	67%	0.674	75%	0.752	S	S	*	*			cis	175.5	170.2	-34.9	176.2	43.2	0	0	0	105.8
582	D	29.9	Very low	32.1	Very low	119 Å²	119	145.7 Å²	145.7	64%	0.636	75%	0.75	S	S	*	*			trans	89.9	119	157.7	-112	-118.4	0	0	0	121.9
583	E	31.5	Very low	32.6	Very low	127 Å²	127	145.3 Å²	145.3	59%	0.593	75%	0.747	S	S	*	*			trans	36.7	127.5	140	-62.8	-155.5	-0.1	0	0	125.7
584	K	33	Very low	32.5	Very low	154 Å²	154	141.6 Å²	141.6	67%	0.67	74%	0.741	S	S	*	*				58.9	166.5	129.5	-55.5	173.6	-165.1	149.7	0	117.9
585	Q	31.9	Very low	32	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	74%	0.741	S	S	*	*			cis	-145.8	166.1	3.3	-155	159.7	-61.2	0	0	111.2
586	S	31.3	Very low	31.8	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	73%	0.725	S	S	*	*			trans	-71.8	150.3	169	56.5	0	0	0	0	114.1
587	Q	33.2	Very low	31.7	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	73%	0.729	S	S	*	*				-165.8	-170.8	127.2	-108.6	168.4	10.2	0	0	113.5
588	N	28.5	Very low	31.7	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	72%	0.717	S	S	*	*			trans	-148.3	166.5	-145.7	-166.5	12.2	0	0	0	112.7
589	T	30.2	Very low	31.6	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	73%	0.726	S	S	*	*			trans	65.4	161.8	175.1	62.4	0	0	0	0	115.6
590	E	26.7	Very low	31.5	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	72%	0.724	S	S	*	*			cis	-155.8	126.1	12.6	-169.6	163.7	62.3	0	0	108
591	S	34	Very low	31.4	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	72%	0.717	S	S	*	*				86.8	104	71.9	-49.9	0	0	0	0	118.8
592	T	32.6	Very low	31.5	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	72%	0.719	S	S	*	*			trans	69.6	163.5	154.4	10.2	0	0	0	0	118.7
593	P	47.3	Very low	31.5	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	72%	0.722	S	S	*	*			cis	-123.3	152.5	44.5	23.3	0.8	0	0	0	116.5
594	V	32.3	Very low	31.3	Very low	126 Å²	126	138 Å²	138	76%	0.764	73%	0.731	S	S	*	*				64.2	133.1	93.7	117.5	0	0	0	0	114.7
595	N	28.2	Very low	31	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	73%	0.733	S	S	*	*			cis	-150.3	170.3	4.5	-160.7	59.1	0	0	0	108.2
596	G	28	Very low	31	Very low	54 Å²	54	135.4 Å²	135.4	56%	0.557	74%	0.736	S	S	*	*			cis	141.9	165.2	-4.8	0	0	0	0	0	111.9
597	E	29.8	Very low	31.1	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	74%	0.743	S	S	*	*			trans	68.5	144.4	-178.8	-98.1	-162.3	77.6	0	0	118.2
598	S	33.2	Very low	31	Very low	78 Å²	78	136.8 Å²	136.8	55%	0.545	74%	0.737	S	S	.	*			cis	-154.2	148.2	-8.4	-0.4	0	0	0	0	111.7
599	E	29.8	Very low	31.1	Very low	188 Å²	188	137.6 Å²	137.6	88%	0.879	74%	0.736	S	S	*	*			trans	60.9	156.2	156.4	-60.6	-175	126.1	0	0	119.5
600	E	29.5	Very low	31.4	Very low	138 Å²	138	140.4 Å²	140.4	65%	0.645	74%	0.738	S	S	*	*			cis	-153.6	161.8	-1.8	-138.6	-147.7	137.3	0	0	112
601	K	29.9	Very low	32.5	Very low	153 Å²	153	137.1 Å²	137.1	67%	0.665	73%	0.732	S	S	*	*			trans	61.2	142	168	-63.5	180	174.7	62.6	0	118.3
602	K	31.1	Very low	32.2	Very low	164 Å²	164	142.1 Å²	142.1	71%	0.713	74%	0.742	S	S	*	*			cis	72.4	137.2	41.5	-81.9	-153.6	174.9	-124.7	0	114.9
603	E	28.8	Very low	32	Very low	150 Å²	150	140.7 Å²	140.7	70%	0.701	74%	0.737	S	S	*	*			cis	-162	-162.1	-16.2	-144.8	163.1	-131.4	0	0	110.8
604	N	27.4	Very low	31.7	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	74%	0.735	S	S	*	*			trans	-60.1	170.3	-176.6	-162.7	25.6	0	0	0	115.6
605	A	28.4	Very low	31.6	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	74%	0.737	S	S	*	*			trans	-125.4	124.1	-179.6	0	0	0	0	0	114.5
606	E	31.1	Very low	31.6	Very low	172 Å²	172	142 Å²	142	80%	0.804	73%	0.732	S	S	*	*			trans	-157.7	149	164.3	-106.2	166.5	133.6	0	0	104.6
607	E	33.2	Very low	31.7	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.794	74%	0.738	S	S	*	*			cis	-154.8	166.2	11.1	-157.6	179.4	174	0	0	110.6
608	D	30.9	Very low	32	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	73%	0.728	S	S	*	*			trans	78.2	155.6	150.1	-147.6	-153.7	0	0	0	124.4
609	E	31.8	Very low	32.1	Very low	158 Å²	158	146.8 Å²	146.8	74%	0.738	74%	0.735	S	S	*	*			trans	72.7	162.6	162.2	-90.3	-79.8	50.4	0	0	123
610	K	34.5	Very low	32.4	Very low	178 Å²	178	144.2 Å²	144.2	77%	0.774	73%	0.727	S	S	*	*			trans	-119.9	-178.3	-159.7	-159.2	-167.1	176.9	-179.8	0	110
611	P	50.5	Low	32.5	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	74%	0.739	S	S	*	*			cis	-110.2	-173.7	-42	12.5	11.1	0	0	0	112.9
612	K	27.4	Very low	32.7	Very low	202 Å²	202	140.8 Å²	140.8	88%	0.878	73%	0.733	S	S	*	*				125.8	144	127.8	-151.6	170.1	-171	175.9	0	116
613	S	28.8	Very low	32.9	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	75%	0.746	S	S	*	*			trans	-85.1	177.4	-179.6	55.5	0	0	0	0	111.4
614	P	42	Very low	33.1	Very low	107 Å²	107	139 Å²	139	70%	0.695	75%	0.746	S	S	*	*			cis	-155.9	-168.7	28.3	46.7	-24.6	0	0	0	120
615	L	28.8	Very low	33.4	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	75%	0.748	S	S	*	*			trans	83.5	125.6	153.7	-71.2	169.3	0	0	0	122
616	K	28.3	Very low	34	Very low	148 Å²	148	139.1 Å²	139.1	64%	0.643	75%	0.752	S	S	*	*			trans	35.3	134.7	139.1	-68.5	-162.8	159.4	-141.1	0	122.3
617	E	30.7	Very low	35.2	Very low	147 Å²	147	136.2 Å²	136.2	69%	0.687	75%	0.749	S	S	*	*			cis	92.5	148.6	36.7	-168.4	-173.4	-139.5	0	0	113.6
618	E	35.9	Very low	35.1	Very low	140 Å²	140	136 Å²	136	65%	0.654	75%	0.753	S	S	*	*			trans	75.9	149.5	178.6	-56.8	-164.3	93.4	0	0	116.2
619	N	34.3	Very low	35.4	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	76%	0.759	S	S	*	*			cis	-165.5	-179	-13.5	-102	-11	0	0	0	109.2
620	N	37.3	Very low	36.2	Very low	133 Å²	133	137.6 Å²	137.6	71%	0.711	76%	0.755	S	S	*	*			cis	176.8	111	-49.9	173.1	95.3	0	0	0	109.2
621	D	31	Very low	36.3	Very low	168 Å²	168	133.7 Å²	133.7	90%	0.898	75%	0.75	S	S	*	*			trans	-146.3	144.3	178.6	-103.7	-56.2	0	0	0	112.3
622	G	34.3	Very low	35.7	Very low	52 Å²	52	134.3 Å²	134.3	54%	0.536	76%	0.757	S	S	.	*			cis	176.5	170.5	-4.6	0	0	0	0	0	113.5
623	Q	34.7	Very low	35.7	Very low	208 Å²	208	132 Å²	132	97%	0.972	75%	0.754	S	S	*	*			trans	69.2	145.2	175.7	-48.1	175	1.9	0	0	116.2
624	G	34.1	Very low	36.2	Very low	69 Å²	69	131.9 Å²	131.9	71%	0.711	75%	0.753	S	S	*	*			cis	153.2	155.6	-10.3	0	0	0	0	0	112.1
625	S	33.8	Very low	36.6	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	76%	0.757	S	S	*	*			cis	-170	139.7	-13.8	-78.7	0	0	0	0	111.9
626	S	40.2	Very low	37.2	Very low	117 Å²	117	129.6 Å²	129.6	82%	0.818	76%	0.755	S	S	*	*			trans	67.6	160.8	153.9	-72.5	0	0	0	0	121.6
627	P	57.7	Low	38	Very low	112 Å²	112	128 Å²	128	73%	0.727	76%	0.759	S	S	*	*			cis	-139	-175.6	-25	36.8	-17.3	0	0	0	116.4
628	N	30.9	Very low	38	Very low	166 Å²	166	129 Å²	129	89%	0.888	76%	0.764	S	S	*	*			trans	91.8	152.5	163	-81	-10.9	0	0	0	121.6
629	R	35.5	Very low	37.7	Very low	235 Å²	235	131.2 Å²	131.2	89%	0.887	77%	0.774	S	S	*	*			trans	-155.1	178.4	-160	-132	-167.3	163.2	-150.1	-1.7	107.6
630	P	49.8	Very low	37.6	Very low	101 Å²	101	131.2 Å²	131.2	66%	0.656	78%	0.779	S	S	*	*			cis	-128.2	-156.3	-7.7	37.1	-13.3	0	0	0	111.4
631	S	36.7	Very low	38.2	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	78%	0.776	S	S	*	*			cis	-163.2	150.6	4.9	5.3	0	0	0	0	111.2
632	S	36.5	Very low	38.2	Very low	121 Å²	121	128.1 Å²	128.1	85%	0.846	77%	0.773	S	S	*	*			trans	66.1	152.4	163.7	-52.9	0	0	0	0	116.7
633	D	28.6	Very low	38	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	79%	0.787	S	S	*	*			cis	-134.8	179	15.7	-163.7	-164.1	0	0	0	113.7
634	S	40.2	Very low	38	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	78%	0.781	S	S	*	*			trans	-97.8	-173.7	-176.6	-60.7	0	0	0	0	112.2
635	P	50.3	Low	38.3	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	79%	0.789	S	S	*	*			cis	-140	169.1	4.3	43.1	-24.5	0	0	0	119.1
636	A	40.1	Very low	38.8	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	78%	0.784	S	S	*	*			trans	10.4	147.4	143	0	0	0	0	0	121.3
637	P	45.2	Very low	38.6	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	79%	0.79	S	S	*	*				-147	157.6	75.4	40.4	-23.3	0	0	0	119
638	Q	31	Very low	37.4	Very low	169 Å²	169	139 Å²	139	79%	0.79	79%	0.786	S	S	*	*			trans	30.3	126	140.9	-64.5	166.5	-14.3	0	0	120.2
639	Q	29.1	Very low	37.5	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	79%	0.785	S	S	*	*				74.1	126.1	58.6	-73.5	-170.9	-35.8	0	0	116.4
640	T	33.3	Very low	37.4	Very low	130 Å²	130	133 Å²	133	80%	0.798	78%	0.781	S	S	*	*			trans	-130.9	-171.4	166.1	57.2	0	0	0	0	106.6
641	P	50	Low	36.6	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	79%	0.787	S	S	*	*			cis	-129.7	-175.6	-44.7	27.6	-7.4	0	0	0	112.7
642	T	30.6	Very low	36.5	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	79%	0.794	S	S	*	*			trans	68.3	161.2	150.6	34.8	0	0	0	0	119.7
643	Y	30.6	Very low	36.6	Very low	208 Å²	208	136.2 Å²	136.2	82%	0.816	79%	0.792	S	S	*	*			trans	-140.1	150	-171	71.1	-79.3	0	0	0	110
644	E	33.2	Very low	37.8	Very low	184 Å²	184	134.3 Å²	134.3	86%	0.86	79%	0.789	S	S	*	*			trans	-153	153.2	149.1	-80.7	-152.9	112.8	0	0	108.9
645	E	41.1	Very low	38.1	Very low	189 Å²	189	136.7 Å²	136.7	88%	0.883	79%	0.789	S	S	*	*			trans	-113.3	175.1	162.9	-67.1	-170.8	70.4	0	0	107.3
646	A	45	Very low	38.2	Very low	85 Å²	85	136.9 Å²	136.9	70%	0.702	79%	0.79	S	S	*	*			cis	-160.6	160.7	21.1	0	0	0	0	0	112.7
647	D	35.5	Very low	38.5	Very low	175 Å²	175	136.1 Å²	136.1	94%	0.936	78%	0.784	S	S	*	*			trans	-174.3	134.9	153.8	-111.8	-36.4	0	0	0	108
648	G	33.3	Very low	38.9	Very low	62 Å²	62	135.7 Å²	135.7	64%	0.639	79%	0.79	S	S	*	*			cis	174.5	156.9	-9.4	0	0	0	0	0	111.9
649	T	31.4	Very low	39.9	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	79%	0.793	S	S	*	*			trans	72.3	108.6	163.1	-45.9	0	0	0	0	120.8
650	V	33.6	Very low	40.7	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	79%	0.793	S	S	*	*				169.6	146.3	112.4	69.9	0	0	0	0	113.9
651	S	33.9	Very low	41.4	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	82%	0.818	S	S	*	*			trans	-14.6	157.2	165.9	-56	0	0	0	0	121.9
652	A	33.6	Very low	41	Very low	99 Å²	99	140.5 Å²	140.5	82%	0.818	83%	0.827	S	S	*	*			cis	-167.5	-179.1	-6.6	0	0	0	0	0	112.1
653	E	39.5	Very low	41.5	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	83%	0.827	S	S	*	*			trans	-75.5	180	173	-115.9	-158.9	71.7	0	0	113.7
654	P	52.7	Low	42.1	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	83%	0.827	S	S	*	*			cis	-137.2	-171.3	25.2	42	-21	0	0	0	118.5
655	E	48	Very low	42.6	Very low	149 Å²	149	134.2 Å²	134.2	70%	0.696	83%	0.825	S	S	*	*			trans	-69.6	176.6	178.8	-147.7	-163.6	-151.6	0	0	115	A657	E655-A657 PolarHBondContact OE2-N 3.37Å
656	P	51.9	Low	42.7	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	82%	0.822	S	S	*	*				-143.4	155.1	103.6	39.8	-27.2	0	0	0	116.8
657	A	45.8	Very low	42.6	Very low	74 Å²	74	133.8 Å²	133.8	61%	0.612	83%	0.83	S	S	*	*			trans	-75.7	167.7	178.1	0	0	0	0	0	115.5	E655	E655-A657 PolarHBondContact OE2-N 3.37Å
658	A	52.9	Low	43.1	Very low	106 Å²	106	130.9 Å²	130.9	88%	0.876	82%	0.822	S	S	*	*			trans	-83.4	154.6	176	0	0	0	0	0	113.2
659	V	52.6	Low	43.8	Very low	141 Å²	141	136.2 Å²	136.2	86%	0.855	84%	0.836	S	S	*	*			trans	-116.9	146.2	-178.3	-177.1	0	0	0	0	110.7
660	E	45.5	Very low	44.9	Very low	187 Å²	187	135.6 Å²	135.6	87%	0.874	83%	0.833	S	S	*	*			trans	-69	145.8	175	-71.5	177.5	74.4	0	0	114
661	T	48.5	Very low	45.9	Very low	216 Å²	216	135.9 Å²	135.9	100%	1.325	84%	0.836	S	S	*	*			trans	-148.6	0	151.8	58.7	0	0	0	0	110.1

Retrieved 661 of 661 residues in 174.7 ms (Link to these results)

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