A0A077Z002_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z002, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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	94.3	Very high	96.4	Very high	186 Å²	186	117.5 Å²	117.5	92%	0.916	59%	0.594	S	S	*	*				0	-71.7	0	-58	-34	-166.1	0	0	112	L3 L4 L5	M1-L3 PolarHBondContact O-N 2.8Å; M1-L3 VanDerWaalsContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CA 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 2.71Å; M1-L5 PolarHBondContact O-N 2.66Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2	F	96.5	Very high	96.4	Very high	159 Å²	159	112.5 Å²	112.5	70%	0.697	58%	0.584	S	S	*	*	H	α-helix	trans	-45.6	-50.9	-173.1	-165.4	-116.4	0	0	0	115.9	L4 L5 I6	F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 2.83Å; F2-L5 WeakPolarHBondContact O-CB 3.38Å; F2-L5 PolarHBondContact O-N 2.64Å; F2-I6 HydrophobicContact CD1-CD1 3.79Å; F2-I6 HydrophobicContact CE1-CD1 3.59Å; F2-I6 HydrophobicContact CG-CD1 4.5Å; F2-I6 HydrophobicContact CZ-CD1 4.13Å; F2-I6 PolarHBondContact O-N 2.7Å
3	L	96.8	Very high	96.4	Very high	143 Å²	143	107.2 Å²	107.2	75%	0.749	57%	0.567	S	S	*	*	H	α-helix	trans	-61.3	-28.5	176.6	-69.3	172.2	0	0	0	114.7	M1 L7	M1-L3 PolarHBondContact O-N 2.8Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-L7 WeakPolarHBondContact O-CB 2.9Å; L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å
4	L	95.8	Very high	96.3	Very high	104 Å²	104	103.6 Å²	103.6	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-76.7	-33.3	174.6	-65.1	171.4	0	0	0	111.4	M1 F2 L7 L8	M1-L4 WeakPolarHBondContact O-CA 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 2.71Å; F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 2.83Å; L4-L7 PolarHBondContact O-N 2.83Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.77Å
5	L	97.5	Very high	96.2	Very high	105 Å²	105	103.1 Å²	103.1	55%	0.55	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-44.7	172.9	-67.2	170.7	0	0	0	110.8	M1 F2 L7 L8 V9	M1-L5 PolarHBondContact O-N 2.66Å; M1-L5 VanDerWaalsContact O-N 3.16Å; F2-L5 WeakPolarHBondContact O-CB 3.38Å; F2-L5 PolarHBondContact O-N 2.64Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.55Å; L5-L8 PolarHBondContact O-N 2.79Å; L5-V9 WeakPolarHBondContact O-CG2 3.09Å; L5-V9 PolarHBondContact O-N 3.18Å
6	I	97.2	Very high	96.2	Very high	88 Å²	88	100.7 Å²	100.7	45%	0.451	54%	0.539	S	S	.	.	H	α-helix	trans	-57.5	-46.7	173.6	-66.5	168.1	0	0	0	110.7	F2 L8 V9 F10	F2-I6 HydrophobicContact CD1-CD1 3.79Å; F2-I6 HydrophobicContact CE1-CD1 3.59Å; F2-I6 HydrophobicContact CG-CD1 4.5Å; F2-I6 HydrophobicContact CZ-CD1 4.13Å; F2-I6 PolarHBondContact O-N 2.7Å; I6-L8 PolarHBondContact O-N 2.65Å; I6-V9 PolarHBondContact O-N 3Å; I6-F10 WeakPolarHBondContact O-CB 3.25Å; I6-F10 PolarHBondContact O-N 3.23Å
7	L	96.1	Very high	96	Very high	92 Å²	92	100.2 Å²	100.2	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-41.5	178.9	-174.9	63.7	0	0	0	112.4	L3 L4 L5 F10 I11	L3-L7 WeakPolarHBondContact O-CB 2.9Å; L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 2.83Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.55Å; L7-F10 PolarHBondContact O-N 3.08Å; L7-I11 HydrophobicContact CD1-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.21Å
8	L	96.4	Very high	95.7	Very high	110 Å²	110	97.7 Å²	97.7	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-41.7	176.6	-75.2	167.6	0	0	0	112.3	L4 L5 I6 I11 A12	L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 2.77Å; L5-L8 PolarHBondContact O-N 2.79Å; I6-L8 PolarHBondContact O-N 2.65Å; L8-I11 PolarHBondContact O-N 2.96Å; L8-A12 WeakPolarHBondContact O-CB 3.18Å; L8-A12 PolarHBondContact O-N 3.4Å
9	V	97.5	Very high	95.5	Very high	105 Å²	105	101.1 Å²	101.1	64%	0.636	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-42.1	174.8	171.1	0	0	0	0	110.8	L5 I6 A12 A13	L5-V9 WeakPolarHBondContact O-CG2 3.09Å; L5-V9 PolarHBondContact O-N 3.18Å; I6-V9 PolarHBondContact O-N 3Å; V9-A12 PolarHBondContact O-N 2.73Å; V9-A13 WeakPolarHBondContact O-CB 3.49Å; V9-A13 PolarHBondContact O-N 3.07Å
10	F	96.7	Very high	95.3	Very high	131 Å²	131	101.5 Å²	101.5	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-64.8	-42.6	177.8	-170.1	-110	0	0	0	112.6	I6 L7 A13 I14	I6-F10 WeakPolarHBondContact O-CB 3.25Å; I6-F10 PolarHBondContact O-N 3.23Å; L7-F10 PolarHBondContact O-N 3.08Å; F10-A13 PolarHBondContact O-N 3.14Å; F10-I14 HydrophobicContact CD1-CD1 3.84Å; F10-I14 HydrophobicContact CE1-CD1 3.49Å; F10-I14 VanDerWaalsContact CE1-CD1 3.49Å; F10-I14 HydrophobicContact CZ-CD1 3.93Å; F10-I14 WeakPolarHBondContact O-CG1 3.06Å; F10-I14 PolarHBondContact O-N 3.28Å
11	I	95.4	Very high	95	Very high	69 Å²	69	99.3 Å²	99.3	35%	0.354	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-43.6	173.8	-69	165	0	0	0	110.8	L7 L8 A13 I14 L15	L7-I11 HydrophobicContact CD1-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.21Å; L8-I11 PolarHBondContact O-N 2.96Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 PolarHBondContact O-N 3.04Å; I11-I14 PolarHBondContact O-N 3.34Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 VanDerWaalsContact O-CG 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.5Å; I11-L15 PolarHBondContact O-N 2.78Å
12	A	96.5	Very high	94.8	Very high	58 Å²	58	94.4 Å²	94.4	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-39.8	177.1	0	0	0	0	0	112.4	L8 V9 L15 S16	L8-A12 WeakPolarHBondContact O-CB 3.18Å; L8-A12 PolarHBondContact O-N 3.4Å; V9-A12 PolarHBondContact O-N 2.73Å; A12-L15 PolarHBondContact O-N 3.15Å; A12-S16 WeakPolarHBondContact O-CB 3.43Å; A12-S16 PolarHBondContact O-N 3.37Å
13	A	96.9	Very high	94.5	Very high	44 Å²	44	92.8 Å²	92.8	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.2	0	0	0	0	0	112	V9 F10 I11 L15 S16 I17	V9-A13 WeakPolarHBondContact O-CB 3.49Å; V9-A13 PolarHBondContact O-N 3.07Å; F10-A13 PolarHBondContact O-N 3.14Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 PolarHBondContact O-N 3.04Å; A13-L15 PolarHBondContact O-N 3.46Å; A13-S16 WeakPolarHBondContact O-CB 3.31Å; A13-S16 PolarHBondContact O-N 3.15Å; A13-I17 WeakPolarHBondContact O-CG1 3.46Å; A13-I17 PolarHBondContact O-N 3.02Å
14	I	94.9	Very high	94.1	Very high	56 Å²	56	93.9 Å²	93.9	29%	0.287	49%	0.487	S	S	.	.	H	α-helix	trans	-59.2	-45.8	176.2	-70.2	170	0	0	0	111.1	F10 I11 S16 I17 H18 V32	F10-I14 HydrophobicContact CD1-CD1 3.84Å; F10-I14 HydrophobicContact CE1-CD1 3.49Å; F10-I14 VanDerWaalsContact CE1-CD1 3.49Å; F10-I14 HydrophobicContact CZ-CD1 3.93Å; F10-I14 WeakPolarHBondContact O-CG1 3.06Å; F10-I14 PolarHBondContact O-N 3.28Å; I11-I14 PolarHBondContact O-N 3.34Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.5Å; I14-I17 PolarHBondContact O-N 3.4Å; I14-H18 WeakPolarHBondContact O-CB 3.42Å; I14-H18 PolarHBondContact O-N 3.3Å; I14-V32 HydrophobicContact CG2-CG1 3.86Å
15	L	95	Very high	93.6	Very high	96 Å²	96	92.2 Å²	92.2	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-34.3	178.1	-69.7	171.9	0	0	0	112.5	I11 A12 A13 R19	I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 VanDerWaalsContact O-CG 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.5Å; I11-L15 PolarHBondContact O-N 2.78Å; A12-L15 PolarHBondContact O-N 3.15Å; A13-L15 PolarHBondContact O-N 3.46Å; L15-R19 VanDerWaalsContact O-CB 3.3Å; L15-R19 WeakPolarHBondContact O-CB 3.47Å; L15-R19 PolarHBondContact O-N 2.93Å
16	S	95.9	Very high	92.9	Very high	65 Å²	65	89.1 Å²	89.1	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174.7	-168	0	0	0	0	112.1	A12 A13 I14 R19 Q20	A12-S16 WeakPolarHBondContact O-CB 3.43Å; A12-S16 PolarHBondContact O-N 3.37Å; A13-S16 WeakPolarHBondContact O-CB 3.31Å; A13-S16 PolarHBondContact O-N 3.15Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.5Å; S16-R19 PolarHBondContact O-N 3.13Å; S16-Q20 WeakPolarHBondContact O-CG 3.48Å; S16-Q20 PolarHBondContact O-N 2.67Å
17	I	92.9	Very high	91.8	Very high	92 Å²	92	94.4 Å²	94.4	47%	0.472	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-47.1	177.6	-66.1	163.6	0	0	0	110.4	A13 I14 R19 Q20 Q21	A13-I17 WeakPolarHBondContact O-CG1 3.46Å; A13-I17 PolarHBondContact O-N 3.02Å; I14-I17 PolarHBondContact O-N 3.4Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.13Å; I17-Q20 PolarHBondContact O-N 2.67Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; I17-Q21 PolarHBondContact O-N 3.05Å
18	H	91.1	Very high	90.7	Very high	56 Å²	56	91.7 Å²	91.7	26%	0.259	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-39.3	177	-173.9	-74.3	0	0	0	111.6	I14 Q21 V22	I14-H18 WeakPolarHBondContact O-CB 3.42Å; I14-H18 PolarHBondContact O-N 3.3Å; H18-Q21 PolarHBondContact O-N 3.41Å; H18-V22 WeakPolarHBondContact O-CG2 3.44Å; H18-V22 PolarHBondContact O-N 3.04Å; H18-V22 VanDerWaalsContact O-N 3.09Å
19	R	91.3	Very high	89.6	Confident	162 Å²	162	90.5 Å²	90.5	61%	0.611	50%	0.499	S	S	*	.	H	α-helix	trans	-63.6	-43.8	174.5	-178	175.4	173.3	-174.7	-6.2	112.1	L15 S16 I17 Q21 V22 E23	L15-R19 VanDerWaalsContact O-CB 3.3Å; L15-R19 WeakPolarHBondContact O-CB 3.47Å; L15-R19 PolarHBondContact O-N 2.93Å; S16-R19 PolarHBondContact O-N 3.13Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.13Å; R19-Q21 VanDerWaalsContact C-N 3.35Å; R19-Q21 PolarHBondContact O-N 3.03Å; R19-V22 PolarHBondContact O-N 3.1Å; R19-E23 HydrophobicContact CG-CG 4.42Å; R19-E23 IonicContact CZ-OE1 3.18Å; R19-E23 IonicContact NE-OE1 2.73Å; R19-E23 PolarHBondContact NE-OE1 3.37Å; R19-E23 IonicContact NE-OE2 3.96Å; R19-E23 IonicContact NH2-OE1 2.73Å; R19-E23 PolarHBondContact NH2-OE1 3.05Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.13Å
20	Q	92.1	Very high	88.7	Confident	108 Å²	108	89.9 Å²	89.9	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-39.7	177.3	-74.4	176.2	-26.7	0	0	112.2	S16 I17 E23 Q24	S16-Q20 WeakPolarHBondContact O-CG 3.48Å; S16-Q20 PolarHBondContact O-N 2.67Å; I17-Q20 PolarHBondContact O-N 2.67Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; Q20-E23 PolarHBondContact O-N 3.5Å; Q20-Q24 WeakPolarHBondContact O-CB 3.36Å; Q20-Q24 WeakPolarHBondContact O-CG 3.29Å; Q20-Q24 PolarHBondContact O-N 3.49Å
21	Q	88.5	Confident	87.9	Confident	57 Å²	57	90.1 Å²	90.1	27%	0.266	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175.1	-72.3	-178.3	-23.1	0	0	112.4	I17 H18 R19 Q24 G25 G26	I17-Q21 PolarHBondContact O-N 3.05Å; H18-Q21 PolarHBondContact O-N 3.41Å; R19-Q21 VanDerWaalsContact C-N 3.35Å; R19-Q21 PolarHBondContact O-N 3.03Å; Q21-Q24 PolarHBondContact O-N 3.22Å; Q21-G25 PolarHBondContact O-N 3.13Å; Q21-G26 PolarHBondContact O-N 3Å; Q21-G26 VanDerWaalsContact O-N 3.1Å
22	V	90.3	Very high	87.2	Confident	83 Å²	83	88.3 Å²	88.3	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.1	171.3	0	0	0	0	111.8	H18 R19 Q24 G25	H18-V22 WeakPolarHBondContact O-CG2 3.44Å; H18-V22 PolarHBondContact O-N 3.04Å; H18-V22 VanDerWaalsContact O-N 3.09Å; R19-V22 PolarHBondContact O-N 3.1Å; V22-Q24 VanDerWaalsContact C-N 3.28Å; V22-Q24 PolarHBondContact O-N 2.74Å; V22-G25 PolarHBondContact O-N 3.46Å; V22-G25 VanDerWaalsContact O-N 3.15Å
23	E	89.5	Confident	86.5	Confident	125 Å²	125	90.4 Å²	90.4	58%	0.584	50%	0.496	S	S	*	.	H	α-helix	trans	-70.3	-22.1	176.4	-73.7	178.9	176.1	0	0	113.2	R19 Q20 G25	R19-E23 HydrophobicContact CG-CG 4.42Å; R19-E23 IonicContact CZ-OE1 3.18Å; R19-E23 IonicContact NE-OE1 2.73Å; R19-E23 PolarHBondContact NE-OE1 3.37Å; R19-E23 IonicContact NE-OE2 3.96Å; R19-E23 IonicContact NH2-OE1 2.73Å; R19-E23 PolarHBondContact NH2-OE1 3.05Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.13Å; Q20-E23 PolarHBondContact O-N 3.5Å; E23-G25 VanDerWaalsContact C-N 3.32Å
24	Q	88.3	Confident	86	Confident	166 Å²	166	93.4 Å²	93.4	78%	0.776	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.6	171.1	-72.3	178.9	1.3	0	0	113.8	Q20 Q21 V22 G26	Q20-Q24 WeakPolarHBondContact O-CB 3.36Å; Q20-Q24 WeakPolarHBondContact O-CG 3.29Å; Q20-Q24 PolarHBondContact O-N 3.49Å; Q21-Q24 PolarHBondContact O-N 3.22Å; V22-Q24 VanDerWaalsContact C-N 3.28Å; V22-Q24 PolarHBondContact O-N 2.74Å; Q24-G26 VanDerWaalsContact C-N 3.26Å; Q24-G26 PolarHBondContact O-N 3.41Å
25	G	86.6	Confident	85.5	Confident	68 Å²	68	93.3 Å²	93.3	70%	0.701	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	14.8	179.8	0	0	0	0	0	114.5	Q21 V22 E23	Q21-G25 PolarHBondContact O-N 3.13Å; V22-G25 PolarHBondContact O-N 3.46Å; V22-G25 VanDerWaalsContact O-N 3.15Å; E23-G25 VanDerWaalsContact C-N 3.32Å
26	G	82.1	Confident	84.9	Confident	41 Å²	41	91.4 Å²	91.4	42%	0.423	50%	0.504	S	S	.	.			trans	-70.9	142.1	170.8	0	0	0	0	0	111	Q21 Q24 G28	Q21-G26 PolarHBondContact O-N 3Å; Q21-G26 VanDerWaalsContact O-N 3.1Å; Q24-G26 VanDerWaalsContact C-N 3.26Å; Q24-G26 PolarHBondContact O-N 3.41Å; G26-G28 PolarHBondContact O-N 3.45Å; G26-G28 VanDerWaalsContact O-N 3.07Å
27	E	74.8	Confident	84.5	Confident	198 Å²	198	90.9 Å²	90.9	93%	0.925	50%	0.495	S	S	*	.			trans	-61.2	113	166.6	-62.9	-169.5	154.8	0	0	108.2	L29	E27-L29 PolarHBondContact O-N 2.64Å
28	G	71.7	Confident	84.3	Confident	35 Å²	35	88.6 Å²	88.6	36%	0.361	49%	0.491	S	S	.	.			trans	-57.9	129.1	-170.8	0	0	0	0	0	111.5	G26 P30	G26-G28 PolarHBondContact O-N 3.45Å; G26-G28 VanDerWaalsContact O-N 3.07Å; G28-P30 WeakPolarHBondContact O-CD 3.34Å
29	L	74.2	Confident	84	Confident	86 Å²	86	89.3 Å²	89.3	45%	0.45	50%	0.499	S	S	.	.			trans	-50.8	111.9	-172.6	-77.6	172.2	0	0	0	111.3	E27 L31 V32	E27-L29 PolarHBondContact O-N 2.64Å; L29-L31 PolarHBondContact O-N 3.43Å; L29-L31 VanDerWaalsContact O-N 3.11Å; L29-V32 HydrophobicContact CB-CG2 3.9Å; L29-V32 HydrophobicContact CD1-CG2 4.48Å; L29-V32 WeakPolarHBondContact O-CB 3.46Å; L29-V32 PolarHBondContact O-N 3.48Å
30	P	78.6	Confident	83.8	Confident	91 Å²	91	81.7 Å²	81.7	59%	0.591	47%	0.471	S	S	*	.	H	α-helix	trans	-61	-30.2	-175.7	22.6	-33	0	0	0	111.6	G28 V32 Q33 D34	G28-P30 WeakPolarHBondContact O-CD 3.34Å; P30-V32 PolarHBondContact O-N 3.33Å; P30-Q33 WeakPolarHBondContact O-CA 3.35Å; P30-Q33 PolarHBondContact O-N 3.15Å; P30-D34 PolarHBondContact O-N 3.35Å
31	L	79.7	Confident	83.7	Confident	136 Å²	136	84 Å²	84	71%	0.712	48%	0.481	S	S	*	.	H	α-helix	trans	-54.4	-31.9	173.3	-157.6	80.2	0	0	0	113.7	L29 A35	L29-L31 PolarHBondContact O-N 3.43Å; L29-L31 VanDerWaalsContact O-N 3.11Å; L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 2.73Å
32	V	80.6	Confident	83.6	Confident	31 Å²	31	88.8 Å²	88.8	19%	0.188	51%	0.506	C	S	.	.	H	α-helix	trans	-75.2	-36.6	176.7	-179.2	0	0	0	0	110.5	I14 L29 P30 L36	I14-V32 HydrophobicContact CG2-CG1 3.86Å; L29-V32 HydrophobicContact CB-CG2 3.9Å; L29-V32 HydrophobicContact CD1-CG2 4.48Å; L29-V32 WeakPolarHBondContact O-CB 3.46Å; L29-V32 PolarHBondContact O-N 3.48Å; P30-V32 PolarHBondContact O-N 3.33Å; V32-L36 HydrophobicContact CG1-CD1 4.16Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.44Å; V32-L36 PolarHBondContact O-N 2.88Å
33	Q	81.2	Confident	83.4	Confident	103 Å²	103	89 Å²	89	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-71.4	-43.6	176.8	-170.3	152.5	18.1	0	0	111.5	P30 A35 L36 D37	P30-Q33 WeakPolarHBondContact O-CA 3.35Å; P30-Q33 PolarHBondContact O-N 3.15Å; Q33-A35 VanDerWaalsContact C-N 3.31Å; Q33-A35 PolarHBondContact O-N 3.4Å; Q33-L36 PolarHBondContact O-N 2.92Å; Q33-D37 PolarHBondContact O-N 2.91Å
34	D	86.8	Confident	83.4	Confident	107 Å²	107	86.3 Å²	86.3	57%	0.572	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-41.5	172.1	-70.9	-30.2	0	0	0	111.8	P30 A38	P30-D34 PolarHBondContact O-N 3.35Å; D34-A38 VanDerWaalsContact O-CB 3.28Å; D34-A38 WeakPolarHBondContact O-CB 3.48Å; D34-A38 PolarHBondContact O-N 2.73Å
35	A	84.4	Confident	82.9	Confident	54 Å²	54	85.4 Å²	85.4	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-39.3	176.1	0	0	0	0	0	112.6	L31 Q33 A38 V39	L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 2.73Å; Q33-A35 VanDerWaalsContact C-N 3.31Å; Q33-A35 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 2.88Å; A35-V39 WeakPolarHBondContact O-CB 3.28Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.41Å
36	L	82.9	Confident	82.5	Confident	56 Å²	56	89.8 Å²	89.8	29%	0.293	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-41.9	176	-77.2	169.1	0	0	0	112	V32 Q33 V39 G40	V32-L36 HydrophobicContact CG1-CD1 4.16Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.44Å; V32-L36 PolarHBondContact O-N 2.88Å; Q33-L36 PolarHBondContact O-N 2.92Å; L36-V39 PolarHBondContact O-N 3.26Å; L36-G40 PolarHBondContact O-N 3.4Å
37	D	87.5	Confident	81.8	Confident	53 Å²	53	91.9 Å²	91.9	28%	0.283	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-37.5	175.3	-84	-11.6	0	0	0	111.6	Q33 G40 Q41	Q33-D37 PolarHBondContact O-N 2.91Å; D37-G40 PolarHBondContact O-N 2.99Å; D37-Q41 WeakPolarHBondContact O-CB 3.42Å; D37-Q41 VanDerWaalsContact O-CG 3.29Å; D37-Q41 WeakPolarHBondContact O-CG 3.32Å; D37-Q41 PolarHBondContact O-N 3.1Å
38	A	87.5	Confident	81.7	Confident	45 Å²	45	85.1 Å²	85.1	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-39.2	173.9	0	0	0	0	0	112.9	D34 A35 M42	D34-A38 VanDerWaalsContact O-CB 3.28Å; D34-A38 WeakPolarHBondContact O-CB 3.48Å; D34-A38 PolarHBondContact O-N 2.73Å; A35-A38 PolarHBondContact O-N 2.88Å; A38-M42 PolarHBondContact O-N 3.19Å; A38-M42 VanDerWaalsContact O-N 3.08Å
39	V	84.8	Confident	81.4	Confident	71 Å²	71	87.7 Å²	87.7	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-41.6	172.6	168.6	0	0	0	0	110.9	A35 L36 M42 C43	A35-V39 WeakPolarHBondContact O-CB 3.28Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.41Å; L36-V39 PolarHBondContact O-N 3.26Å; V39-M42 PolarHBondContact O-N 3.05Å; V39-C43 WeakPolarHBondContact O-CB 3.05Å; V39-C43 PolarHBondContact O-N 3.32Å
40	G	88.1	Confident	80.9	Confident	2 Å²	2	93.5 Å²	93.5	2%	0.021	53%	0.527	C	S	.	.	H	α-helix	trans	-55.8	-51.6	174.1	0	0	0	0	0	112.1	L36 D37 M42 C43 G44 F45	L36-G40 PolarHBondContact O-N 3.4Å; D37-G40 PolarHBondContact O-N 2.99Å; G40-M42 PolarHBondContact O-N 3.28Å; G40-C43 CarbonylContact O-C 3.56Å; G40-C43 PolarHBondContact O-N 3.07Å; G40-G44 PolarHBondContact O-N 3Å; G40-F45 CarbonylContact C-O 3.18Å; G40-F45 WeakPolarHBondContact CA-O 3.28Å; G40-F45 PolarHBondContact O-N 3.16Å
41	Q	89.5	Confident	80	Confident	155 Å²	155	99.7 Å²	99.7	72%	0.724	54%	0.539	S	S	*	.	H	α-helix	trans	-58.9	-42	175.7	-72.5	174.6	36.6	0	0	112.8	D37	D37-Q41 WeakPolarHBondContact O-CB 3.42Å; D37-Q41 VanDerWaalsContact O-CG 3.29Å; D37-Q41 WeakPolarHBondContact O-CG 3.32Å; D37-Q41 PolarHBondContact O-N 3.1Å
42	M	87.3	Confident	78.9	Confident	159 Å²	159	98.7 Å²	98.7	78%	0.783	54%	0.541	S	S	*	.	H	α-helix	trans	-72	-26.4	177.4	-78.3	-159.7	-74.4	0	0	114.1	A38 V39 G40	A38-M42 PolarHBondContact O-N 3.19Å; A38-M42 VanDerWaalsContact O-N 3.08Å; V39-M42 PolarHBondContact O-N 3.05Å; G40-M42 PolarHBondContact O-N 3.28Å
43	C	86.7	Confident	77.8	Confident	86 Å²	86	107.1 Å²	107.1	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-96.6	-5.2	178.5	-67.9	0	0	0	0	114.2	V39 G40 F45	V39-C43 WeakPolarHBondContact O-CB 3.05Å; V39-C43 PolarHBondContact O-N 3.32Å; G40-C43 CarbonylContact O-C 3.56Å; G40-C43 PolarHBondContact O-N 3.07Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 HydrophobicContact CB-CD2 3.93Å
44	G	88.8	Confident	76.4	Confident	69 Å²	69	105.7 Å²	105.7	71%	0.711	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.1	23.7	-176.2	0	0	0	0	0	114.1	G40	G40-G44 PolarHBondContact O-N 3Å
45	F	78.4	Confident	74.7	Confident	147 Å²	147	105 Å²	105	65%	0.645	60%	0.6	S	S	*	*			trans	-107.3	113.9	173.2	-75.8	-89.1	0	0	0	109.5	G40 C43 I47	G40-F45 CarbonylContact C-O 3.18Å; G40-F45 WeakPolarHBondContact CA-O 3.28Å; G40-F45 PolarHBondContact O-N 3.16Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 HydrophobicContact CB-CD2 3.93Å; F45-I47 VanDerWaalsContact C-N 3.27Å; F45-I47 HydrophobicContact CB-CG1 4.07Å; F45-I47 PolarHBondContact O-N 3.32Å
46	D	77.2	Confident	73.4	Confident	160 Å²	160	107.6 Å²	107.6	86%	0.856	62%	0.621	S	S	*	*			trans	-70.1	86.7	166.7	-70.6	-50.3	0	0	0	109.3
47	I	68	Low	71.7	Confident	85 Å²	85	108.4 Å²	108.4	44%	0.436	64%	0.644	S	S	.	*			trans	-74.4	-16.5	176.5	-65.6	173.6	0	0	0	111.2	F45 P49	F45-I47 VanDerWaalsContact C-N 3.27Å; F45-I47 HydrophobicContact CB-CG1 4.07Å; F45-I47 PolarHBondContact O-N 3.32Å; I47-P49 WeakPolarHBondContact O-CD 3.46Å
48	A	71.1	Confident	69.9	Low	56 Å²	56	109.8 Å²	109.8	46%	0.463	67%	0.67	S	S	.	*	S	Bend	trans	-43	112.6	174.1	0	0	0	0	0	111.2	K50	A48-K50 PolarHBondContact O-N 3.48Å; A48-K50 VanDerWaalsContact O-N 3.13Å
49	P	65.5	Low	68.2	Low	90 Å²	90	111.2 Å²	111.2	58%	0.584	69%	0.69	S	S	*	*			trans	-62.7	123.5	-176.7	24.2	-32.9	0	0	0	108.4	I47 R51	I47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 3.09Å
50	K	64.3	Low	66.6	Low	207 Å²	207	111.5 Å²	111.5	90%	0.9	71%	0.707	S	S	*	*			trans	-58.8	95	176.4	-75.7	-172	176.6	-177.2	0	109.2	A48	A48-K50 PolarHBondContact O-N 3.48Å; A48-K50 VanDerWaalsContact O-N 3.13Å
51	R	58.9	Low	64.9	Low	221 Å²	221	121.1 Å²	121.1	83%	0.834	75%	0.751	S	S	*	*			trans	-52.2	132.5	168.7	-67.5	-175.4	177.5	-166.5	-1.5	106.9	P49 E53	P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 3.09Å; R51-E53 PolarHBondContact O-N 3.45Å
52	P	58.1	Low	63.4	Low	116 Å²	116	122.7 Å²	122.7	75%	0.753	76%	0.758	S	S	*	*			trans	-62.5	108.2	-179.9	24.2	-32.7	0	0	0	109.3	G54	P52-G54 PolarHBondContact O-N 2.98Å
53	E	56.9	Low	61.9	Low	207 Å²	207	118.3 Å²	118.3	97%	0.967	75%	0.754	S	S	*	*	S	Bend	trans	-71.6	66.5	173.5	-65.1	-166.7	129.2	0	0	109.7	R51	R51-E53 PolarHBondContact O-N 3.45Å
54	G	52.4	Low	60.2	Low	73 Å²	73	124.6 Å²	124.6	75%	0.753	77%	0.771	S	S	*	*			trans	-170.8	27.8	-164.4	0	0	0	0	0	115.5	P52	P52-G54 PolarHBondContact O-N 2.98Å
55	A	50.4	Low	58.8	Low	92 Å²	92	127.1 Å²	127.1	76%	0.76	77%	0.773	S	S	*	*			trans	-130.2	33.3	175.4	0	0	0	0	0	112.8	G57	A55-G57 PolarHBondContact O-N 3.36Å; A55-G57 VanDerWaalsContact O-N 3.15Å
56	A	57.8	Low	57.5	Low	109 Å²	109	129.9 Å²	129.9	90%	0.901	79%	0.785	S	S	*	*	S	Bend	trans	-82.7	85.6	177.8	0	0	0	0	0	111.5
57	G	47.1	Very low	56.5	Low	74 Å²	74	129.6 Å²	129.6	76%	0.763	78%	0.783	S	S	*	*			trans	80.2	72.7	162.7	0	0	0	0	0	116.4	A55	A55-G57 PolarHBondContact O-N 3.36Å; A55-G57 VanDerWaalsContact O-N 3.15Å
58	G	49.3	Very low	55.9	Low	81 Å²	81	133.3 Å²	133.3	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.2	127.6	145.5	0	0	0	0	0	108.6
59	G	51	Low	55.2	Low	76 Å²	76	136.6 Å²	136.6	78%	0.784	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.2	153.4	178.8	0	0	0	0	0	112.2
60	G	51.9	Low	54.6	Low	76 Å²	76	135.3 Å²	135.3	78%	0.784	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-75.4	134.3	167.7	0	0	0	0	0	110.8	E62	G60-E62 VanDerWaalsContact C-N 3.29Å; G60-E62 PolarHBondContact O-N 3.11Å; G60-E62 VanDerWaalsContact O-N 3.08Å
61	E	53	Low	54	Low	205 Å²	205	134.6 Å²	134.6	96%	0.958	83%	0.827	S	S	*	*			trans	-75.5	83.1	162.8	-70.7	-176.1	91.2	0	0	109.2
62	E	57.9	Low	53.9	Low	187 Å²	187	135.3 Å²	135.3	87%	0.874	83%	0.829	S	S	*	*			trans	-79.2	148	162.9	-70.6	-169.4	139.9	0	0	110.4	G60	G60-E62 VanDerWaalsContact C-N 3.29Å; G60-E62 PolarHBondContact O-N 3.11Å; G60-E62 VanDerWaalsContact O-N 3.08Å
63	G	56	Low	53.8	Low	67 Å²	67	138.2 Å²	138.2	69%	0.691	83%	0.83	S	S	*	*			trans	-63.7	148	-166.6	0	0	0	0	0	114.8	T65	G63-T65 PolarHBondContact O-N 3.17Å
64	K	51.1	Low	53.7	Low	218 Å²	218	139.5 Å²	139.5	95%	0.948	83%	0.826	S	S	*	*			trans	-67.9	91.6	173.8	-66.5	175.7	-178.1	172.1	0	111.3
65	T	58.5	Low	54	Low	123 Å²	123	145.1 Å²	145.1	76%	0.755	83%	0.83	S	S	*	*			trans	-103.4	112.1	156.8	50.6	0	0	0	0	109.1	G63	G63-T65 PolarHBondContact O-N 3.17Å
66	K	51.1	Low	54.5	Low	205 Å²	205	145.4 Å²	145.4	89%	0.891	83%	0.826	S	S	*	*			trans	-80.3	114.4	168.8	-72.8	-177.3	176.9	-177.7	0	108.3
67	D	57.4	Low	54.5	Low	153 Å²	153	144.3 Å²	144.3	82%	0.818	81%	0.812	S	S	*	*			trans	-136.8	121.8	162.3	-83.7	-64.1	0	0	0	109.4
68	D	54.1	Low	55.1	Low	163 Å²	163	151.4 Å²	151.4	87%	0.872	82%	0.815	S	S	*	*			trans	-80.1	131.9	179.3	-104.7	-72	0	0	0	111.2
69	S	56.6	Low	55.5	Low	125 Å²	125	158 Å²	158	87%	0.874	82%	0.815	S	S	*	*			trans	159.1	176.6	146.9	55.8	0	0	0	0	112.5
70	G	52.7	Low	55.8	Low	64 Å²	64	158.3 Å²	158.3	66%	0.66	81%	0.805	S	S	*	*			trans	103.7	35.1	152.4	0	0	0	0	0	117.9	R72	G70-R72 PolarHBondContact O-N 2.96Å
71	H	52	Low	56.2	Low	191 Å²	191	164.8 Å²	164.8	88%	0.884	81%	0.806	S	S	*	*			trans	-60.7	83.4	178.2	-156.4	52.2	0	0	0	113.8
72	R	56.9	Low	56.4	Low	236 Å²	236	162.9 Å²	162.9	89%	0.891	80%	0.795	S	S	*	*			trans	-122.2	117.7	179.8	-73.6	-166.6	174.2	-165.2	-0.4	115.1	G70 R74	G70-R72 PolarHBondContact O-N 2.96Å; R72-R74 PolarHBondContact O-N 2.91Å
73	K	55.7	Low	56.5	Low	178 Å²	178	163.9 Å²	163.9	77%	0.774	79%	0.79	S	S	*	*			trans	-67.5	95.9	-170.7	-64.1	158.6	-179.3	164.1	0	114.4	K75	K73-K75 PolarHBondContact O-N 2.88Å
74	R	54.1	Low	56.8	Low	234 Å²	234	163.8 Å²	163.8	88%	0.883	78%	0.779	S	S	*	*			trans	-75.8	78.6	171.5	-80.3	-174.9	167.6	178.8	-2.1	113.6	R72 S76	R72-R74 PolarHBondContact O-N 2.91Å; R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.35Å
75	K	60.5	Low	57.4	Low	191 Å²	191	156.6 Å²	156.6	83%	0.83	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	11.6	178.7	-80.3	-172.3	174.1	-179.3	0	116.3	K73	K73-K75 PolarHBondContact O-N 2.88Å
76	S	60.4	Low	57.6	Low	98 Å²	98	160 Å²	160	69%	0.685	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-26	-166.6	52.2	0	0	0	0	116.5	R74 R78	R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.35Å; S76-R78 VanDerWaalsContact C-N 3.35Å; S76-R78 PolarHBondContact O-N 3Å
77	S	58	Low	58.4	Low	85 Å²	85	160 Å²	160	59%	0.594	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-19.1	-164.6	63	0	0	0	0	116.3	S80	S77-S80 PolarHBondContact O-OG 2.9Å
78	R	58.1	Low	59	Low	223 Å²	223	161.9 Å²	161.9	84%	0.842	75%	0.746	S	S	*	*	H	α-helix	trans	-78.4	-16	-174.2	-72.7	-173.7	175.6	-175.5	-1.1	115.2	S76	S76-R78 VanDerWaalsContact C-N 3.35Å; S76-R78 PolarHBondContact O-N 3Å
79	R	59	Low	59.8	Low	221 Å²	221	161.9 Å²	161.9	83%	0.834	74%	0.738	S	S	*	*	H	α-helix	trans	-82.2	-27.6	-177.8	-85.8	-173.7	172.6	-175	-1.8	114.9
80	S	58	Low	60.6	Low	82 Å²	82	164.1 Å²	164.1	57%	0.573	73%	0.732	S	S	*	*	H	α-helix	trans	-68.8	-48.7	-179.6	58.8	0	0	0	0	112.5	S77 K82 R83	S77-S80 PolarHBondContact O-OG 2.9Å; S80-K82 PolarHBondContact O-N 3.21Å; S80-K82 VanDerWaalsContact O-N 3.14Å; S80-R83 PolarHBondContact O-N 2.95Å
81	R	58.4	Low	61.4	Low	211 Å²	211	166.6 Å²	166.6	80%	0.796	73%	0.729	S	S	*	*	H	α-helix	trans	-55.5	-33.8	-179.3	-64.8	-174.5	178.5	-177.2	-0.4	112.8	R83	R81-R83 PolarHBondContact O-N 2.9Å
82	K	58.6	Low	62.2	Low	165 Å²	165	160.5 Å²	160.5	72%	0.717	71%	0.712	S	S	*	*	H	α-helix	trans	-74.6	-18.4	-179.5	-145	169.5	-172.5	176.9	0	114.2	S80	S80-K82 PolarHBondContact O-N 3.21Å; S80-K82 VanDerWaalsContact O-N 3.14Å
83	R	60.2	Low	62.9	Low	208 Å²	208	152.2 Å²	152.2	79%	0.785	69%	0.694	S	S	*	*	H	α-helix	trans	-81.9	-38.1	172.1	-78.5	-174.8	170.9	178.8	-3.3	112.7	S80 R81 S85 R86 R87	S80-R83 PolarHBondContact O-N 2.95Å; R81-R83 PolarHBondContact O-N 2.9Å; R83-S85 PolarHBondContact O-N 3.06Å; R83-R86 PolarHBondContact O-N 2.93Å; R83-R87 PolarHBondContact O-N 3.46Å
84	S	62.3	Low	63.7	Low	65 Å²	65	146.7 Å²	146.7	46%	0.455	68%	0.681	S	S	.	*	H	α-helix	trans	-59.4	-47.5	177.6	179.6	0	0	0	0	112.4	R86 R87 R88	S84-R86 VanDerWaalsContact C-N 3.32Å; S84-R86 PolarHBondContact O-N 2.96Å; S84-R87 PolarHBondContact O-N 2.98Å; S84-R87 VanDerWaalsContact O-N 3.15Å; S84-R88 PolarHBondContact O-N 3.42Å; S84-R88 VanDerWaalsContact O-N 3.13Å
85	S	62.6	Low	64.4	Low	68 Å²	68	142.7 Å²	142.7	48%	0.476	67%	0.674	S	S	.	*	H	α-helix	trans	-53.7	-43.3	177	174.8	0	0	0	0	113.3	R83 R88 K89	R83-S85 PolarHBondContact O-N 3.06Å; S85-R88 PolarHBondContact O-N 3.35Å; S85-K89 PolarHBondContact O-N 3.39Å
86	R	63.9	Low	64.8	Low	195 Å²	195	137.7 Å²	137.7	74%	0.736	67%	0.669	S	S	*	*	H	α-helix	trans	-68.3	-34.1	179.7	-76.2	-174.5	169.4	-173.9	-3.9	113.2	R83 S84 K90	R83-R86 PolarHBondContact O-N 2.93Å; S84-R86 VanDerWaalsContact C-N 3.32Å; S84-R86 PolarHBondContact O-N 2.96Å; R86-K90 PolarHBondContact O-N 3.08Å; R86-K90 VanDerWaalsContact O-N 3.13Å
87	R	67.8	Low	65	Low	205 Å²	205	136.8 Å²	136.8	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-67.8	-44.3	173.3	-82.7	-170.5	169.8	-171.9	-3.6	111.7	R83 S84 K90 L91	R83-R87 PolarHBondContact O-N 3.46Å; S84-R87 PolarHBondContact O-N 2.98Å; S84-R87 VanDerWaalsContact O-N 3.15Å; R87-K90 PolarHBondContact O-N 3.49Å; R87-L91 PolarHBondContact O-N 2.89Å
88	R	70.1	Confident	65.3	Low	192 Å²	192	137.7 Å²	137.7	73%	0.725	67%	0.669	S	S	*	*	H	α-helix	trans	-62.5	-42.7	177	-68.5	-168.8	179.2	-157.7	-1.4	112.5	S84 S85 L91 A92	S84-R88 PolarHBondContact O-N 3.42Å; S84-R88 VanDerWaalsContact O-N 3.13Å; S85-R88 PolarHBondContact O-N 3.35Å; R88-L91 PolarHBondContact O-N 3.26Å; R88-A92 PolarHBondContact O-N 2.81Å
89	K	70.9	Confident	65.5	Low	163 Å²	163	132.2 Å²	132.2	71%	0.709	66%	0.662	S	S	*	*	H	α-helix	trans	-64.6	-37.8	174.7	-78.8	-158.1	171.6	-163.8	0	113.6	S85 A93	S85-K89 PolarHBondContact O-N 3.39Å; K89-A93 WeakPolarHBondContact O-CB 3.47Å; K89-A93 PolarHBondContact O-N 2.96Å; K89-A93 VanDerWaalsContact O-N 3.1Å
90	K	71.7	Confident	65.6	Low	171 Å²	171	127 Å²	127	74%	0.743	67%	0.667	S	S	*	*	H	α-helix	trans	-67.2	-38.4	175.4	-80.8	-157.5	170.5	-160.3	0	113.1	R86 R87 A94	R86-K90 PolarHBondContact O-N 3.08Å; R86-K90 VanDerWaalsContact O-N 3.13Å; R87-K90 PolarHBondContact O-N 3.49Å; K90-A94 WeakPolarHBondContact O-CB 3.3Å; K90-A94 PolarHBondContact O-N 2.9Å
91	L	69.6	Low	65.3	Low	117 Å²	117	127.2 Å²	127.2	61%	0.613	67%	0.673	S	S	*	*	H	α-helix	trans	-67.5	-42.6	175.7	-75.8	166.2	0	0	0	112.2	R87 R88 A93 A94 M95	R87-L91 PolarHBondContact O-N 2.89Å; R88-L91 PolarHBondContact O-N 3.26Å; L91-A93 PolarHBondContact O-N 3.37Å; L91-A94 PolarHBondContact O-N 3.18Å; L91-M95 PolarHBondContact O-N 2.96Å
92	A	70.4	Confident	64.6	Low	63 Å²	63	121.4 Å²	121.4	52%	0.521	68%	0.679	S	S	.	*	H	α-helix	trans	-59.9	-44.2	175.3	0	0	0	0	0	112.2	R88 A94 M95 A96	R88-A92 PolarHBondContact O-N 2.81Å; A92-A94 PolarHBondContact O-N 3.33Å; A92-M95 PolarHBondContact O-N 3.41Å; A92-A96 WeakPolarHBondContact O-CB 3.39Å; A92-A96 PolarHBondContact O-N 3.37Å
93	A	71.9	Confident	64.1	Low	61 Å²	61	115.2 Å²	115.2	50%	0.504	66%	0.662	S	S	.	*	H	α-helix	trans	-63.7	-38.6	175.5	0	0	0	0	0	112.7	K89 L91 M95 A96 A97	K89-A93 WeakPolarHBondContact O-CB 3.47Å; K89-A93 PolarHBondContact O-N 2.96Å; K89-A93 VanDerWaalsContact O-N 3.1Å; L91-A93 PolarHBondContact O-N 3.37Å; A93-M95 PolarHBondContact O-N 3.19Å; A93-A96 PolarHBondContact O-N 3.18Å; A93-A97 WeakPolarHBondContact O-CB 3.37Å; A93-A97 PolarHBondContact O-N 3.04Å; A93-A97 VanDerWaalsContact O-N 3.13Å
94	A	71.1	Confident	63.7	Low	62 Å²	62	109.7 Å²	109.7	51%	0.512	66%	0.661	S	S	.	*	H	α-helix	trans	-67.3	-33.3	177.9	0	0	0	0	0	113.2	K90 L91 A92	K90-A94 WeakPolarHBondContact O-CB 3.3Å; K90-A94 PolarHBondContact O-N 2.9Å; L91-A94 PolarHBondContact O-N 3.18Å; A92-A94 PolarHBondContact O-N 3.33Å
95	M	70.1	Confident	63.4	Low	150 Å²	150	110.6 Å²	110.6	74%	0.739	67%	0.673	S	S	*	*	H	α-helix	trans	-79.9	-30.4	175.1	-62.7	-169.9	84.1	0	0	112.7	L91 A92 A93 A97 V98	L91-M95 PolarHBondContact O-N 2.96Å; A92-M95 PolarHBondContact O-N 3.41Å; A93-M95 PolarHBondContact O-N 3.19Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 3.36Å; M95-V98 WeakPolarHBondContact O-CG2 3.49Å; M95-V98 PolarHBondContact O-N 3.45Å
96	A	68.6	Low	63	Low	86 Å²	86	110.4 Å²	110.4	71%	0.711	68%	0.675	S	S	*	*	H	α-helix	trans	-71	-19.7	173	0	0	0	0	0	113.6	A92 A93 V98	A92-A96 WeakPolarHBondContact O-CB 3.39Å; A92-A96 PolarHBondContact O-N 3.37Å; A93-A96 PolarHBondContact O-N 3.18Å; A96-V98 VanDerWaalsContact C-N 3.31Å
97	A	63.7	Low	62.8	Low	79 Å²	79	105.1 Å²	105.1	65%	0.653	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	8.7	177.3	0	0	0	0	0	114.2	A93 M95 P99	A93-A97 WeakPolarHBondContact O-CB 3.37Å; A93-A97 PolarHBondContact O-N 3.04Å; A93-A97 VanDerWaalsContact O-N 3.13Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 3.36Å; A97-P99 WeakPolarHBondContact O-CD 3.2Å
98	V	64.7	Low	62.3	Low	104 Å²	104	97.7 Å²	97.7	63%	0.63	65%	0.647	S	S	*	*	S	Bend	trans	-76.3	117.9	171.7	178.7	0	0	0	0	108.4	M95 A96 A100	M95-V98 WeakPolarHBondContact O-CG2 3.49Å; M95-V98 PolarHBondContact O-N 3.45Å; A96-V98 VanDerWaalsContact C-N 3.31Å; V98-A100 PolarHBondContact O-N 2.92Å
99	P	63	Low	61.8	Low	108 Å²	108	91.3 Å²	91.3	70%	0.701	64%	0.635	S	S	*	*			trans	-67.4	126.9	-176.9	26.8	-33.9	0	0	0	110.8	A97 A101	A97-P99 WeakPolarHBondContact O-CD 3.2Å; P99-A101 PolarHBondContact O-N 3.05Å
100	A	59.3	Low	61.3	Low	113 Å²	113	91.1 Å²	91.1	93%	0.934	63%	0.634	S	S	*	*			trans	-76.1	1.8	177	0	0	0	0	0	113.8	V98	V98-A100 PolarHBondContact O-N 2.92Å
101	A	53.1	Low	60.8	Low	85 Å²	85	88.7 Å²	88.7	70%	0.702	63%	0.628	S	S	*	*	S	Bend	trans	-77.6	132	179.1	0	0	0	0	0	111.6	P99	P99-A101 PolarHBondContact O-N 3.05Å
102	G	43.8	Very low	60.5	Low	89 Å²	89	88.6 Å²	88.6	92%	0.918	63%	0.628	S	S	*	*	S	Bend	trans	-41	128.8	-164.4	0	0	0	0	0	118.1
103	G	47	Very low	60	Low	36 Å²	36	88.5 Å²	88.5	37%	0.371	62%	0.623	S	S	.	*			trans	-167.3	-0.3	177.6	0	0	0	0	0	118.4	A105 A106 T107	G103-A105 VanDerWaalsContact C-N 3.3Å; G103-A105 PolarHBondContact O-N 3.46Å; G103-A106 PolarHBondContact O-N 3.37Å; G103-T107 PolarHBondContact O-N 3.03Å; G103-T107 PolarHBondContact O-OG1 3.44Å
104	A	52.9	Low	59.6	Low	91 Å²	91	95.4 Å²	95.4	75%	0.752	64%	0.636	S	S	*	*	H	α-helix	trans	-58.7	-33.9	-170.3	0	0	0	0	0	114.8	T107	A104-T107 PolarHBondContact O-OG1 3.33Å
105	A	55.3	Low	59	Low	85 Å²	85	101.6 Å²	101.6	70%	0.702	65%	0.646	S	S	*	*	H	α-helix	trans	-75.4	-37.5	175.3	0	0	0	0	0	112.8	G103 A109	G103-A105 VanDerWaalsContact C-N 3.3Å; G103-A105 PolarHBondContact O-N 3.46Å; A105-A109 PolarHBondContact O-N 2.93Å
106	A	54.3	Low	58.5	Low	63 Å²	63	101 Å²	101	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-72.9	-33.7	-174.1	0	0	0	0	0	113	G103 K110	G103-A106 PolarHBondContact O-N 3.37Å; A106-K110 PolarHBondContact O-N 3.49Å
107	T	59	Low	58	Low	85 Å²	85	106.7 Å²	106.7	52%	0.521	65%	0.645	S	S	.	*	H	α-helix	trans	-71.4	-40.4	176.4	51.3	0	0	0	0	111.9	G103 A104 A109 K110 I111	G103-T107 PolarHBondContact O-N 3.03Å; G103-T107 PolarHBondContact O-OG1 3.44Å; A104-T107 PolarHBondContact O-OG1 3.33Å; T107-A109 PolarHBondContact O-N 3.26Å; T107-K110 PolarHBondContact O-N 3.24Å; T107-I111 WeakPolarHBondContact O-CG1 3.43Å; T107-I111 PolarHBondContact O-N 3.39Å
108	A	58.1	Low	57.7	Low	49 Å²	49	106.9 Å²	106.9	41%	0.405	64%	0.641	S	S	.	*	H	α-helix	trans	-58.5	-44.6	174.2	0	0	0	0	0	112.1	K110 I111 L112	A108-K110 PolarHBondContact O-N 2.94Å; A108-I111 PolarHBondContact O-N 2.93Å; A108-L112 PolarHBondContact O-N 3.46Å
109	A	58.3	Low	57.3	Low	58 Å²	58	109.4 Å²	109.4	48%	0.479	64%	0.644	S	S	.	*	H	α-helix	trans	-62.3	-40.2	175.9	0	0	0	0	0	113.1	A105 T107 I111 S113	A105-A109 PolarHBondContact O-N 2.93Å; T107-A109 PolarHBondContact O-N 3.26Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.37Å; A109-S113 WeakPolarHBondContact O-CB 3.47Å; A109-S113 PolarHBondContact O-N 2.96Å; A109-S113 PolarHBondContact O-OG 3.28Å
110	K	60.6	Low	57	Low	158 Å²	158	111.6 Å²	111.6	69%	0.687	65%	0.645	S	S	*	*	H	α-helix	trans	-69.2	-27.7	175.9	-81.1	179.9	175.2	173.5	0	113.5	A106 T107 A108 S113	A106-K110 PolarHBondContact O-N 3.49Å; T107-K110 PolarHBondContact O-N 3.24Å; A108-K110 PolarHBondContact O-N 2.94Å; K110-S113 WeakPolarHBondContact CA-OG 3.45Å; K110-S113 PolarHBondContact O-OG 3.2Å
111	I	62.7	Low	56.7	Low	120 Å²	120	115.9 Å²	115.9	62%	0.615	64%	0.642	S	S	*	*	H	α-helix	trans	-78	-43.3	175.4	-68	167	0	0	0	111	T107 A108 A109 R115	T107-I111 WeakPolarHBondContact O-CG1 3.43Å; T107-I111 PolarHBondContact O-N 3.39Å; A108-I111 PolarHBondContact O-N 2.93Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.37Å; I111-R115 PolarHBondContact O-N 3.43Å
112	L	61.9	Low	56.7	Low	116 Å²	116	116.5 Å²	116.5	61%	0.607	64%	0.641	S	S	*	*	H	α-helix	trans	-65.2	-43.5	178.1	-74.9	167.9	0	0	0	112.7	A108 R114 R115 Q116	A108-L112 PolarHBondContact O-N 3.46Å; L112-R114 PolarHBondContact O-N 2.93Å; L112-R115 PolarHBondContact O-N 2.68Å; L112-R115 VanDerWaalsContact O-N 3.09Å; L112-Q116 PolarHBondContact O-N 2.58Å; L112-Q116 VanDerWaalsContact O-N 3.08Å
113	S	60.4	Low	57.2	Low	60 Å²	60	122.9 Å²	122.9	42%	0.42	64%	0.638	S	S	.	*	H	α-helix	trans	-64.5	-36.5	178.6	50.4	0	0	0	0	113.4	A109 K110 R115 Q116 R117	A109-S113 WeakPolarHBondContact O-CB 3.47Å; A109-S113 PolarHBondContact O-N 2.96Å; A109-S113 PolarHBondContact O-OG 3.28Å; K110-S113 WeakPolarHBondContact CA-OG 3.45Å; K110-S113 PolarHBondContact O-OG 3.2Å; S113-R115 VanDerWaalsContact C-N 3.35Å; S113-Q116 PolarHBondContact O-N 3.47Å; S113-R117 PolarHBondContact O-N 3.09Å; S113-R117 VanDerWaalsContact O-N 3.12Å
114	R	63.7	Low	57.2	Low	207 Å²	207	124.4 Å²	124.4	78%	0.781	65%	0.653	S	S	*	*	H	α-helix	trans	-61.4	-40.4	169.4	-88.2	-175	167.1	-178.8	-3.8	112.4	L112 Q116 R117 S118	L112-R114 PolarHBondContact O-N 2.93Å; R114-Q116 VanDerWaalsContact C-N 3.3Å; R114-Q116 PolarHBondContact O-N 3.27Å; R114-R117 PolarHBondContact O-N 3.25Å; R114-S118 PolarHBondContact O-N 2.99Å
115	R	58.1	Low	57.1	Low	191 Å²	191	131.3 Å²	131.3	72%	0.721	66%	0.66	S	S	*	*	H	α-helix	trans	-75.5	-13.8	-179	-153.7	175.7	-171.2	-172.5	2.9	114.2	I111 L112 S113 S118	I111-R115 PolarHBondContact O-N 3.43Å; L112-R115 PolarHBondContact O-N 2.68Å; L112-R115 VanDerWaalsContact O-N 3.09Å; S113-R115 VanDerWaalsContact C-N 3.35Å; R115-S118 PolarHBondContact O-OG 3.32Å
116	Q	59.9	Low	56.7	Low	139 Å²	139	136.4 Å²	136.4	65%	0.65	67%	0.669	S	S	*	*	H	α-helix	trans	-87.9	-43.9	168.7	-75.5	-178.5	-33	0	0	112.2	L112 S113 R114 S118 K119	L112-Q116 PolarHBondContact O-N 2.58Å; L112-Q116 VanDerWaalsContact O-N 3.08Å; S113-Q116 PolarHBondContact O-N 3.47Å; R114-Q116 VanDerWaalsContact C-N 3.3Å; R114-Q116 PolarHBondContact O-N 3.27Å; Q116-S118 PolarHBondContact O-N 3.46Å; Q116-S118 VanDerWaalsContact O-N 3.16Å; Q116-K119 PolarHBondContact O-N 2.74Å
117	R	57.8	Low	57	Low	205 Å²	205	140.4 Å²	140.4	77%	0.774	68%	0.68	S	S	*	*	H	α-helix	trans	-59	-28.5	177.1	-81.2	-170.9	172	-170.2	-2.3	113.5	S113 R114 K119	S113-R117 PolarHBondContact O-N 3.09Å; S113-R117 VanDerWaalsContact O-N 3.12Å; R114-R117 PolarHBondContact O-N 3.25Å; R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.05Å
118	S	57.5	Low	56.7	Low	82 Å²	82	141.8 Å²	141.8	57%	0.573	69%	0.691	S	S	*	*	H	α-helix	trans	-74.5	-6.5	174.2	69.3	0	0	0	0	114.9	R114 R115 Q116	R114-S118 PolarHBondContact O-N 2.99Å; R115-S118 PolarHBondContact O-OG 3.32Å; Q116-S118 PolarHBondContact O-N 3.46Å; Q116-S118 VanDerWaalsContact O-N 3.16Å
119	K	57.1	Low	56.4	Low	157 Å²	157	149 Å²	149	68%	0.683	72%	0.716	S	S	*	*	H	α-helix	trans	-108.2	-5.1	179.6	-70.5	-163.9	171.9	-164	0	114.9	Q116 R117	Q116-K119 PolarHBondContact O-N 2.74Å; R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.05Å
120	Q	55.5	Low	55.9	Low	154 Å²	154	154.1 Å²	154.1	72%	0.72	73%	0.73	S	S	*	*	H	α-helix	trans	-100.3	-14.9	173.3	-72.5	-179.9	-75.5	0	0	113.5	S122	Q120-S122 VanDerWaalsContact C-N 3.28Å; Q120-S122 PolarHBondContact O-N 3.48Å
121	K	54.1	Low	55.4	Low	204 Å²	204	154.8 Å²	154.8	89%	0.887	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	5.9	178.9	-86.4	-158.3	168.4	-161.5	0	115.7
122	S	53.6	Low	54.8	Low	97 Å²	97	158.2 Å²	158.2	68%	0.678	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	24.8	-179.7	69.9	0	0	0	0	113.2	Q120	Q120-S122 VanDerWaalsContact C-N 3.28Å; Q120-S122 PolarHBondContact O-N 3.48Å
123	R	54.2	Low	54	Low	223 Å²	223	157.6 Å²	157.6	84%	0.842	77%	0.765	S	S	*	*	S	Bend	trans	-144.1	45.5	179.4	-72	-171.1	163.7	-160	-8.8	110.8
124	G	46.5	Very low	53.2	Low	68 Å²	68	158.6 Å²	158.6	70%	0.701	78%	0.784	S	S	*	*			trans	-150.7	50.4	-171.2	0	0	0	0	0	111.8
125	R	49.9	Very low	52.6	Low	237 Å²	237	153.7 Å²	153.7	89%	0.894	79%	0.788	S	S	*	*			trans	-149.7	67.1	164.4	-80	-162.8	174.9	-170.6	-3.4	107.3
126	E	48.1	Very low	51.7	Low	191 Å²	191	154.2 Å²	154.2	89%	0.893	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72	125.7	158.6	-73.6	165.6	173.7	0	0	105.8
127	I	59.4	Low	51.1	Low	148 Å²	148	151.3 Å²	151.3	76%	0.759	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.3	177.9	-60.9	172.5	0	0	0	105.6	E129	I127-E129 PolarHBondContact O-N 3.48Å
128	P	52.6	Low	50.6	Low	114 Å²	114	146.5 Å²	146.5	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.9	128.5	179.4	26.5	-33.7	0	0	0	110.8	E130	P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; P128-E130 VanDerWaalsContact O-N 3.1Å
129	E	52	Low	50.4	Low	201 Å²	201	147 Å²	147	94%	0.939	82%	0.82	S	S	*	*			trans	-81.9	65	172.6	-68.7	-175	124.3	0	0	110.9	I127	I127-E129 PolarHBondContact O-N 3.48Å
130	E	48.8	Very low	50.9	Low	164 Å²	164	145.4 Å²	145.4	77%	0.766	83%	0.825	S	S	*	*			trans	-137.9	151.4	164.5	-74.5	-162.7	153.1	0	0	110.9	P128	P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; P128-E130 VanDerWaalsContact O-N 3.1Å
131	M	49	Very low	50.6	Low	173 Å²	173	144.4 Å²	144.4	85%	0.852	83%	0.832	S	S	*	*			trans	64.5	103.5	179.2	-50.7	-177.6	-173.1	0	0	115.8
132	M	49.7	Very low	50.4	Low	192 Å²	192	138.7 Å²	138.7	95%	0.946	83%	0.831	S	S	*	*			trans	175.4	82.8	133.8	-91.9	-74.3	167.1	0	0	108.4
133	A	46.1	Very low	50	Low	103 Å²	103	139 Å²	139	85%	0.851	84%	0.839	S	S	*	*			trans	-98.7	135.5	167.9	0	0	0	0	0	109.2
134	G	43.4	Very low	49.3	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	84%	0.842	S	S	*	*			trans	82.2	106.6	170.4	0	0	0	0	0	116.1
135	A	51	Low	49.3	Very low	104 Å²	104	134.7 Å²	134.7	86%	0.86	85%	0.845	S	S	*	*			trans	-169.1	119.8	142.9	0	0	0	0	0	109.4
136	E	39.9	Very low	49.2	Very low	202 Å²	202	132.4 Å²	132.4	94%	0.944	84%	0.844	S	S	*	*			trans	-75.2	151.7	164.6	-63.8	160.4	99.9	0	0	109.6
137	G	46.2	Very low	49.3	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	84%	0.841	S	S	*	*			trans	176.8	83.5	-178.3	0	0	0	0	0	116.6
138	A	48.1	Very low	48.5	Very low	104 Å²	104	129.1 Å²	129.1	86%	0.86	85%	0.849	S	S	*	*			trans	6.7	120.7	160.8	0	0	0	0	0	119.8
139	A	53.5	Low	48.1	Very low	93 Å²	93	127.3 Å²	127.3	77%	0.769	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-90.3	140.2	162.4	0	0	0	0	0	111.5
140	P	66.6	Low	47.7	Very low	124 Å²	124	122.1 Å²	122.1	81%	0.805	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-82.3	129.9	175	31.5	-32.8	0	0	0	112
141	P	49.6	Very low	47.3	Very low	133 Å²	133	119 Å²	119	86%	0.864	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-83	137.2	174.2	32.7	-33.2	0	0	0	111.5
142	G	49.7	Very low	47.1	Very low	84 Å²	84	115.5 Å²	115.5	87%	0.866	84%	0.842	S	S	*	*			trans	166.3	47	177	0	0	0	0	0	118.5
143	A	45.4	Very low	47.1	Very low	102 Å²	102	111.3 Å²	111.3	84%	0.843	84%	0.838	S	S	*	*			trans	-152.5	49.7	173.3	0	0	0	0	0	112.9
144	A	39.2	Very low	47.1	Very low	110 Å²	110	110.8 Å²	110.8	91%	0.909	83%	0.834	S	S	*	*			trans	-124.8	58.4	-174.2	0	0	0	0	0	112.8
145	A	47.5	Very low	47.3	Very low	91 Å²	91	110 Å²	110	75%	0.752	83%	0.827	S	S	*	*	S	Bend	trans	-150.1	151	165.8	0	0	0	0	0	109.1
146	E	48.3	Very low	47.3	Very low	189 Å²	189	113.4 Å²	113.4	88%	0.883	83%	0.825	S	S	*	*	S	Bend	trans	52	74.8	170.8	-56.1	-162.6	133	0	0	118.4
147	I	49.3	Very low	47.8	Very low	159 Å²	159	107.7 Å²	107.7	82%	0.815	81%	0.812	S	S	*	*				-151.3	65.5	119.5	-46.1	-173.9	0	0	0	109.6	G149	I147-G149 PolarHBondContact O-N 3.11Å
148	A	42.4	Very low	48.1	Very low	112 Å²	112	112.2 Å²	112.2	93%	0.926	81%	0.812	S	S	*	*			trans	-91.8	92.5	170	0	0	0	0	0	109.9
149	G	43.9	Very low	48.4	Very low	75 Å²	75	110.5 Å²	110.5	77%	0.773	80%	0.798	S	S	*	*	S	Bend	trans	175.1	-5.6	178.9	0	0	0	0	0	119.4	I147	I147-G149 PolarHBondContact O-N 3.11Å
150	A	43.5	Very low	48.5	Very low	92 Å²	92	112.3 Å²	112.3	76%	0.76	79%	0.791	S	S	*	*	S	Bend	trans	-110	3.7	-169.4	0	0	0	0	0	116.1
151	A	42.1	Very low	48	Very low	100 Å²	100	112.7 Å²	112.7	83%	0.826	79%	0.785	S	S	*	*	S	Bend	trans	-104.5	-4.3	-168.8	0	0	0	0	0	115.8
152	A	44.9	Very low	48.5	Very low	98 Å²	98	113.9 Å²	113.9	81%	0.81	78%	0.777	S	S	*	*	S	Bend	trans	-92.2	-9.7	-169.4	0	0	0	0	0	115.5
153	A	48.3	Very low	48.9	Very low	104 Å²	104	113 Å²	113	86%	0.86	76%	0.761	S	S	*	*	S	Bend	trans	-101	18.2	-167.1	0	0	0	0	0	115.2
154	A	46.5	Very low	49.6	Very low	93 Å²	93	113.6 Å²	113.6	77%	0.769	75%	0.745	S	S	*	*	S	Bend	trans	-121.2	1.5	-174.2	0	0	0	0	0	114.8
155	G	47.2	Very low	50.3	Low	64 Å²	64	115.8 Å²	115.8	66%	0.66	74%	0.736	S	S	*	*	S	Bend	trans	-92.9	-24.1	-172.9	0	0	0	0	0	116.3
156	E	51	Low	50.7	Low	175 Å²	175	119 Å²	119	82%	0.818	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-86	-14.4	-166.2	-61.2	-174	128.2	0	0	114.3	E158	E156-E158 PolarHBondContact O-N 3.02Å
157	A	49.7	Very low	51.1	Low	82 Å²	82	117.8 Å²	117.8	68%	0.678	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-76.6	-19.2	-171.3	0	0	0	0	0	115.5
158	E	52.8	Low	51.5	Low	172 Å²	172	118.8 Å²	118.8	80%	0.804	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-95.9	-8	178.4	-67.8	-157.8	144.1	0	0	114	E156	E156-E158 PolarHBondContact O-N 3.02Å
159	A	55	Low	52	Low	69 Å²	69	121.8 Å²	121.8	57%	0.57	73%	0.728	S	S	*	*	H	α-helix	trans	-76.8	-40.3	177.8	0	0	0	0	0	112.5	L161 K162	A159-L161 VanDerWaalsContact C-N 3.27Å; A159-L161 PolarHBondContact O-N 3.16Å; A159-K162 PolarHBondContact O-N 3.25Å
160	E	55.5	Low	52.5	Low	131 Å²	131	127 Å²	127	61%	0.612	73%	0.732	S	S	*	*	H	α-helix	trans	-72.6	-13.1	-171.8	-118	-144.7	117.5	0	0	115.3	K164	E160-K164 PolarHBondContact O-NZ 3.47Å; E160-K164 VanDerWaalsContact O-NZ 3.13Å; E160-K164 IonicContact OE1-NZ 2.63Å; E160-K164 PolarHBondContact OE1-NZ 3.07Å
161	L	56.5	Low	52.8	Low	132 Å²	132	125.8 Å²	125.8	69%	0.691	73%	0.729	S	S	*	*	H	α-helix	trans	-86.4	-38.1	178.3	-82.9	166.8	0	0	0	112.5	A159 A163 K164	A159-L161 VanDerWaalsContact C-N 3.27Å; A159-L161 PolarHBondContact O-N 3.16Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.83Å; L161-K164 PolarHBondContact O-N 3.16Å
162	K	59	Low	53.3	Low	158 Å²	158	130 Å²	130	69%	0.687	73%	0.731	S	S	*	*	H	α-helix	trans	-71.7	-25.1	176.8	-74.3	179.7	176.9	171.5	0	113.3	A159 K164	A159-K162 PolarHBondContact O-N 3.25Å; K162-K164 PolarHBondContact O-N 3.36Å
163	A	59.2	Low	53.7	Low	64 Å²	64	134.1 Å²	134.1	53%	0.529	74%	0.736	S	S	.	*	H	α-helix	trans	-71.9	-12	177.5	0	0	0	0	0	114.5	L161	L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.83Å
164	K	59.5	Low	53.8	Low	116 Å²	116	140.2 Å²	140.2	50%	0.504	74%	0.737	S	S	.	*	H	α-helix	trans	-105.7	-27.2	-178.8	-67.2	177.5	-173.8	108.5	0	113.1	E160 L161 K162 Q166 M167	E160-K164 PolarHBondContact O-NZ 3.47Å; E160-K164 VanDerWaalsContact O-NZ 3.13Å; E160-K164 IonicContact OE1-NZ 2.63Å; E160-K164 PolarHBondContact OE1-NZ 3.07Å; L161-K164 PolarHBondContact O-N 3.16Å; K162-K164 PolarHBondContact O-N 3.36Å; K164-Q166 VanDerWaalsContact C-N 3.26Å; K164-Q166 PolarHBondContact O-N 3.34Å; K164-M167 PolarHBondContact O-N 3.16Å
165	E	54.4	Low	54	Low	155 Å²	155	142.9 Å²	142.9	72%	0.724	74%	0.743	S	S	*	*	H	α-helix	trans	-70.6	-20.1	177.9	-158.7	164.5	-158.5	0	0	112.7
166	Q	56.4	Low	54.1	Low	159 Å²	159	144.5 Å²	144.5	74%	0.743	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	5.3	178.7	-60.1	-163.8	-68.7	0	0	115.3	K164	K164-Q166 VanDerWaalsContact C-N 3.26Å; K164-Q166 PolarHBondContact O-N 3.34Å
167	M	55.3	Low	53.9	Low	164 Å²	164	142.1 Å²	142.1	81%	0.808	75%	0.753	S	S	*	*	S	Bend	trans	-105.7	-9	177.2	-80.3	-167	173.2	0	0	114.9	K164	K164-M167 PolarHBondContact O-N 3.16Å
168	E	58	Low	54.2	Low	179 Å²	179	144.5 Å²	144.5	84%	0.836	76%	0.76	S	S	*	*	S	Bend	trans	-96.1	-10.2	177.5	-65.6	-168.3	131.5	0	0	113.6
169	E	54.4	Low	53.9	Low	175 Å²	175	140.2 Å²	140.2	82%	0.818	76%	0.761	S	S	*	*	S	Bend	trans	-92.3	-21.1	-174.8	-160	168	-159.7	0	0	114.7	G171	E169-G171 VanDerWaalsContact C-N 3.34Å
170	E	53.4	Low	53.4	Low	185 Å²	185	140.6 Å²	140.6	86%	0.864	77%	0.772	S	S	*	*	S	Bend	trans	-88.2	6	176.5	-66.3	-157.3	137.1	0	0	114.3
171	G	50.2	Low	53.3	Low	67 Å²	67	142.7 Å²	142.7	69%	0.691	79%	0.787	S	S	*	*	S	Bend	trans	-77	-23.4	-169.8	0	0	0	0	0	116.9	E169	E169-G171 VanDerWaalsContact C-N 3.34Å
172	E	53.2	Low	53.1	Low	189 Å²	189	145 Å²	145	88%	0.883	79%	0.794	S	S	*	*	S	Bend	trans	-103.5	-4.7	-160.6	-62	-160.6	127.4	0	0	116.4
173	M	51.6	Low	53	Low	184 Å²	184	143.7 Å²	143.7	91%	0.906	80%	0.801	S	S	*	*	S	Bend	trans	-100.4	29	-169.9	-66.4	-148	-68.3	0	0	116.6
174	R	51.5	Low	53	Low	232 Å²	232	144.4 Å²	144.4	88%	0.875	82%	0.815	S	S	*	*			trans	-142.3	84.9	176.7	-69.6	-170.5	178.8	-179.7	1.7	115.4
175	T	50.7	Low	52.9	Low	148 Å²	148	145.3 Å²	145.3	91%	0.908	83%	0.826	S	S	*	*			trans	-169.9	165.3	144.9	11.3	0	0	0	0	111.5
176	A	49.4	Very low	53.3	Low	99 Å²	99	145.8 Å²	145.8	82%	0.818	83%	0.825	S	S	*	*			trans	66.5	62.3	168.7	0	0	0	0	0	117.7
177	S	47.1	Very low	53.9	Low	124 Å²	124	144.6 Å²	144.6	87%	0.867	83%	0.831	S	S	*	*			trans	-130.3	79.1	150.7	-166.9	0	0	0	0	111
178	T	56	Low	54.2	Low	133 Å²	133	143.9 Å²	143.9	82%	0.816	83%	0.828	S	S	*	*			trans	-147.2	120.2	165	48.3	0	0	0	0	104.6
179	G	46.3	Very low	54.1	Low	81 Å²	81	142.5 Å²	142.5	84%	0.835	82%	0.819	S	S	*	*			cis	98.5	86	43.2	0	0	0	0	0	105.8
180	G	44.5	Very low	54.1	Low	77 Å²	77	143 Å²	143	79%	0.794	82%	0.818	S	S	*	*			trans	-86.2	168.8	-165.3	0	0	0	0	0	114.2
181	L	51.9	Low	54.1	Low	176 Å²	176	143.5 Å²	143.5	92%	0.921	82%	0.818	S	S	*	*			trans	-158.2	163.1	159.4	-106.4	162.9	0	0	0	108.9
182	E	54.1	Low	54.3	Low	180 Å²	180	149.6 Å²	149.6	84%	0.841	83%	0.825	S	S	*	*			trans	-87.1	160.9	-154.8	-68.6	-172.3	109.1	0	0	116.6
183	P	56.7	Low	54.3	Low	130 Å²	130	151.4 Å²	151.4	84%	0.844	82%	0.824	S	S	*	*			trans	-80.6	115.2	176.7	31.9	-34.1	0	0	0	113.2
184	G	59.2	Low	54.2	Low	80 Å²	80	151.1 Å²	151.1	83%	0.825	82%	0.818	S	S	*	*			trans	-92.1	148.8	173.4	0	0	0	0	0	114.5
185	D	57.5	Low	54.1	Low	135 Å²	135	149.8 Å²	149.8	72%	0.722	82%	0.818	S	S	*	*			trans	-92.2	177.8	-167	-142.3	-53.7	0	0	0	115.4
186	K	61.9	Low	54.2	Low	165 Å²	165	148.4 Å²	148.4	72%	0.717	82%	0.815	S	S	*	*			trans	-77.8	143.4	-164.6	-49.8	149.4	-158.5	81.9	0	113.4
187	P	69.2	Low	54.2	Low	133 Å²	133	153.3 Å²	153.3	86%	0.864	82%	0.817	S	S	*	*			trans	-83.3	164.1	158.8	33.3	-32.8	0	0	0	113
188	M	61.8	Low	54.2	Low	149 Å²	149	154.8 Å²	154.8	73%	0.734	81%	0.811	S	S	*	*			trans	-116.8	154.7	-161.6	-93.1	-167.5	179.6	0	0	116.2
189	K	56.6	Low	53.9	Low	151 Å²	151	156.3 Å²	156.3	66%	0.657	81%	0.806	S	S	*	*			trans	65	118.8	140.1	-70.4	164.7	-178.1	159.2	0	121.6
190	K	54	Low	53.9	Low	184 Å²	184	161.5 Å²	161.5	80%	0.8	81%	0.805	S	S	*	*				63.1	116.2	124.9	-57.6	174.3	-179.2	-177.3	0	121.3
191	K	52.9	Low	54.3	Low	197 Å²	197	162.9 Å²	162.9	86%	0.857	80%	0.803	S	S	*	*				179.2	118	116.5	-95.6	156.4	-175.8	175.3	0	111.2
192	K	54	Low	54.2	Low	194 Å²	194	164.3 Å²	164.3	84%	0.843	80%	0.802	S	S	*	*				61.2	104.2	96.8	-72.2	-170.3	176.1	-177	0	116.8
193	R	52.6	Low	54	Low	227 Å²	227	159.6 Å²	159.6	86%	0.857	79%	0.794	S	S	*	*				173.9	135.7	111.5	-96.8	172.6	172	-168.9	-2.8	116.3
194	K	50.7	Low	53.6	Low	178 Å²	178	161 Å²	161	77%	0.774	79%	0.789	S	S	*	*			trans	33.7	112.9	137.3	-62.3	-175.9	177.3	-172.6	0	119.3
195	K	49.7	Very low	53.5	Low	205 Å²	205	160.5 Å²	160.5	89%	0.891	77%	0.773	S	S	*	*				76.6	108.4	81.7	-81.4	-167.2	174.9	-171.6	0	116
196	S	51.4	Low	53.4	Low	119 Å²	119	162 Å²	162	83%	0.832	77%	0.773	S	S	*	*			trans	-168	125.3	143.4	41.2	0	0	0	0	115.9
197	K	50.9	Low	52.9	Low	201 Å²	201	159 Å²	159	87%	0.874	77%	0.773	S	S	*	*			trans	34.1	93.8	142.7	-58.7	-179.6	179.8	179.1	0	121.4
198	E	46.5	Very low	51.9	Low	155 Å²	155	161.9 Å²	161.9	72%	0.724	77%	0.772	S	S	*	*				25.3	117.4	108.4	-164.3	-137.6	150	0	0	119.4
199	K	49.3	Very low	51.2	Low	166 Å²	166	164 Å²	164	72%	0.722	78%	0.777	S	S	*	*				173.8	135.6	118.1	-93.9	164.2	-169.8	176.1	0	116.7
200	K	47.5	Very low	50.7	Low	189 Å²	189	161.5 Å²	161.5	82%	0.822	78%	0.779	S	S	*	*			trans	54	114.6	147.3	-67.2	-174.4	176.3	-177.8	0	122.9
201	S	52	Low	50.3	Low	107 Å²	107	162.3 Å²	162.3	75%	0.748	78%	0.782	S	S	*	*				99.3	149.4	123	81.4	0	0	0	0	121.9
202	K	49.6	Very low	49.9	Very low	205 Å²	205	159.8 Å²	159.8	89%	0.891	78%	0.784	S	S	*	*			trans	69.3	144.4	173.3	-65	-179.9	-179.7	177.4	0	116.5
203	A	50.3	Low	49.5	Very low	82 Å²	82	160.1 Å²	160.1	68%	0.678	79%	0.785	S	S	*	*			cis	-163.6	153.6	-17.2	0	0	0	0	0	111.3
204	E	49.1	Very low	49	Very low	160 Å²	160	154.1 Å²	154.1	75%	0.748	78%	0.778	S	S	*	*			trans	53.5	148.6	149.4	-70.8	-149.7	94.8	0	0	123	K206	E204-K206 IonicContact OE1-NZ 2.81Å; E204-K206 PolarHBondContact OE1-NZ 3.12Å
205	S	55.1	Low	48.9	Very low	69 Å²	69	155.3 Å²	155.3	48%	0.483	78%	0.783	S	S	.	*			cis	-170.5	158.7	-19	59.4	0	0	0	0	113.8
206	K	56.3	Low	48.7	Very low	166 Å²	166	154.6 Å²	154.6	72%	0.722	78%	0.78	S	S	*	*			trans	66.4	152.3	154.1	-62.5	145.3	-153.8	139.8	0	116.6	E204	E204-K206 IonicContact OE1-NZ 2.81Å; E204-K206 PolarHBondContact OE1-NZ 3.12Å
207	S	50.8	Low	48.5	Very low	102 Å²	102	153.2 Å²	153.2	71%	0.713	77%	0.77	S	S	*	*			cis	-177.5	158.6	-17.4	52.4	0	0	0	0	107.3
208	K	48.9	Very low	48.1	Very low	194 Å²	194	151 Å²	151	84%	0.843	76%	0.763	S	S	*	*			cis	-165.4	146.4	-3.6	-106.9	167.7	-175.8	177.5	0	104.1
209	K	46.2	Very low	48	Very low	192 Å²	192	153.6 Å²	153.6	84%	0.835	77%	0.766	S	S	*	*			cis	67.7	123.9	44	-157.2	170.1	-178.3	178.1	0	112.2
210	S	46.5	Very low	47.8	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	77%	0.765	S	S	*	*			cis	-161.9	169.7	10.8	31.1	0	0	0	0	114.4
211	K	45.5	Very low	47.8	Very low	201 Å²	201	145.6 Å²	145.6	87%	0.874	76%	0.755	S	S	*	*			trans	-45.6	156.5	160.2	-51.7	171.3	-178.3	178.9	0	114.2
212	T	44.8	Very low	47.6	Very low	145 Å²	145	149.9 Å²	149.9	89%	0.89	76%	0.76	S	S	*	*			trans	-130.5	158.5	157.8	42.8	0	0	0	0	110.9
213	K	45.6	Very low	47.4	Very low	200 Å²	200	149.8 Å²	149.8	87%	0.87	76%	0.76	S	S	*	*			trans	-122.8	146.7	-177.8	-74.1	-174.2	176.5	-177.3	0	111.3
214	S	43.1	Very low	47.3	Very low	102 Å²	102	155.5 Å²	155.5	71%	0.713	77%	0.769	S	S	*	*			trans	24.6	166	143.9	68.4	0	0	0	0	124.1
215	K	47.4	Very low	47.1	Very low	202 Å²	202	158 Å²	158	88%	0.878	78%	0.778	S	S	*	*			trans	78.4	145.9	-178.2	-54.3	-177.7	178.9	-176.1	0	114.2
216	K	45	Very low	46.6	Very low	190 Å²	190	164.2 Å²	164.2	83%	0.826	80%	0.796	S	S	*	*			cis	163.6	156.6	-29.3	171.9	171.3	176.2	-178	0	104.2
217	S	47.3	Very low	46	Very low	90 Å²	90	165.6 Å²	165.6	63%	0.629	80%	0.802	S	S	*	*			trans	65.8	106	164.7	43.6	0	0	0	0	119.5
218	E	43.9	Very low	45.4	Very low	154 Å²	154	164.2 Å²	164.2	72%	0.72	80%	0.804	S	S	*	*				92.9	155.1	117.3	-78.3	-169.7	-134.7	0	0	124.4
219	R	43.8	Very low	45.1	Very low	210 Å²	210	163.6 Å²	163.6	79%	0.792	80%	0.804	S	S	*	*			trans	66.5	76.6	151.4	-74.9	168	-168.8	-151.5	-8.1	120.6
220	S	45.8	Very low	44.9	Very low	100 Å²	100	159 Å²	159	70%	0.699	80%	0.802	S	S	*	*				71.8	114.9	109.6	67.3	0	0	0	0	122.4
221	S	47.1	Very low	44.8	Very low	88 Å²	88	158.9 Å²	158.9	62%	0.615	81%	0.807	S	S	*	*				96.7	133.6	127.2	88.4	0	0	0	0	121.1
222	K	47.6	Very low	44.6	Very low	196 Å²	196	156.3 Å²	156.3	85%	0.852	81%	0.809	S	S	*	*			trans	63.8	144.6	153.8	-60.6	152.8	-174.1	165.1	0	114.9
223	K	46.2	Very low	44.7	Very low	204 Å²	204	158.5 Å²	158.5	89%	0.887	81%	0.809	S	S	*	*			cis	-161.8	148.5	30.3	-150.2	168.1	-175.1	172.1	0	110
224	K	47.6	Very low	44.8	Very low	201 Å²	201	158 Å²	158	87%	0.874	81%	0.809	S	S	*	*			trans	-74.2	152.5	176.3	-61.6	179.2	178.8	-179.4	0	112.7
225	K	43.9	Very low	45	Very low	212 Å²	212	159.1 Å²	159.1	92%	0.922	80%	0.803	S	S	*	*			trans	-159.9	137.2	139.9	-118.9	177.6	-177.9	-175.6	0	114.5
226	K	45.6	Very low	45.2	Very low	200 Å²	200	156.7 Å²	156.7	87%	0.87	80%	0.795	S	S	*	*			trans	-80.7	160.5	161	-73.9	-173	171.1	-168.7	0	109.9
227	K	43.9	Very low	45.2	Very low	196 Å²	196	154.4 Å²	154.4	85%	0.852	79%	0.785	S	S	*	*				168.5	157.8	95.5	-136.7	-168.1	178.8	-160.1	0	111
228	G	38	Very low	45.1	Very low	73 Å²	73	159.1 Å²	159.1	75%	0.753	80%	0.797	S	S	*	*			trans	169.3	86.3	170.8	0	0	0	0	0	114.1
229	E	41.6	Very low	45.3	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	80%	0.799	S	S	*	*			trans	-139.3	144.9	172.1	-71	164.5	111	0	0	108.7
230	A	41.9	Very low	45.3	Very low	96 Å²	96	153.1 Å²	153.1	79%	0.793	80%	0.803	S	S	*	*			trans	-165.9	131.8	162.1	0	0	0	0	0	106.6
231	A	44.4	Very low	45.2	Very low	97 Å²	97	157.4 Å²	157.4	80%	0.802	81%	0.812	S	S	*	*			cis	80.5	123.8	17	0	0	0	0	0	116.1
232	T	42.2	Very low	45	Very low	147 Å²	147	157.4 Å²	157.4	90%	0.902	82%	0.818	S	S	*	*			trans	-152.9	118.9	166.2	45.2	0	0	0	0	108.7
233	E	45.7	Very low	44.8	Very low	191 Å²	191	152.9 Å²	152.9	89%	0.893	82%	0.817	S	S	*	*			trans	-121.1	163.5	163.5	-64.3	175.5	113.8	0	0	107.3
234	E	49.6	Very low	44.8	Very low	189 Å²	189	148 Å²	148	88%	0.883	82%	0.815	S	S	*	*			trans	158.5	154.6	154	-93.5	167.9	174.5	0	0	109.8
235	E	45.8	Very low	44.8	Very low	125 Å²	125	144.9 Å²	144.9	58%	0.584	81%	0.807	S	S	*	*			cis	-139.2	157.3	-3.7	-110.6	-164.4	105.9	0	0	108	K237	E235-K237 IonicContact OE1-NZ 2.66Å; E235-K237 PolarHBondContact OE1-NZ 3.42Å
236	Q	51.3	Low	45.5	Very low	151 Å²	151	142.7 Å²	142.7	71%	0.706	80%	0.798	S	S	*	*				56.5	152.8	73	-51.1	-165.2	-25.3	0	0	115.4
237	K	45.7	Very low	45.9	Very low	142 Å²	142	139.1 Å²	139.1	62%	0.617	80%	0.798	S	S	*	*			cis	-130.6	164.9	-4.4	-93.4	108.8	-177.9	163	0	108.2	E235	E235-K237 IonicContact OE1-NZ 2.66Å; E235-K237 PolarHBondContact OE1-NZ 3.42Å
238	E	44.9	Very low	46.2	Very low	190 Å²	190	134.7 Å²	134.7	89%	0.888	79%	0.792	S	S	*	*			cis	85.5	136.3	32.2	-160.8	172.7	-110.7	0	0	115.4
239	G	47.7	Very low	46.7	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	80%	0.798	S	S	*	*			trans	161.7	128	-179.5	0	0	0	0	0	112.5
240	D	44.3	Very low	47	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	80%	0.795	S	S	*	*			trans	-163.2	131.2	-166.7	-164.4	-11.4	0	0	0	110.6
241	E	44	Very low	47.3	Very low	190 Å²	190	146.1 Å²	146.1	89%	0.888	80%	0.8	S	S	*	*			trans	-170.1	159.4	162.5	-124.9	-178.3	173.2	0	0	117.3
242	A	42.2	Very low	47.5	Very low	89 Å²	89	151.5 Å²	151.5	74%	0.736	81%	0.806	S	S	*	*			trans	75.6	90.3	150.1	0	0	0	0	0	124.3
243	A	43.5	Very low	47.8	Very low	101 Å²	101	148 Å²	148	84%	0.835	80%	0.798	S	S	*	*				72.6	152.1	116.3	0	0	0	0	0	125.6
244	A	46.9	Very low	47.9	Very low	102 Å²	102	148.6 Å²	148.6	84%	0.843	80%	0.798	S	S	*	*			trans	68.3	153.8	161.4	0	0	0	0	0	119.8
245	D	48.7	Very low	47.8	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	80%	0.798	S	S	*	*			cis	-168.4	174.5	-24.7	179.4	27.4	0	0	0	109.2
246	K	57	Low	48	Very low	167 Å²	167	147.7 Å²	147.7	73%	0.726	80%	0.801	S	S	*	*			trans	88.8	103.1	154.9	-52.8	-167.9	-178.6	173.8	0	122.5
247	S	53.9	Low	48.1	Very low	124 Å²	124	150.3 Å²	150.3	87%	0.867	81%	0.81	S	S	*	*				91.3	170.4	118.4	83.7	0	0	0	0	121
248	S	50.8	Low	48.2	Very low	103 Å²	103	152.9 Å²	152.9	72%	0.72	82%	0.821	S	S	*	*			trans	-139.8	151.9	-147.2	61.6	0	0	0	0	115
249	K	48.9	Very low	48.3	Very low	201 Å²	201	153.1 Å²	153.1	87%	0.874	82%	0.819	S	S	*	*			trans	167.9	165.5	149.1	-92.6	149.4	-171.6	171.7	0	110.2
250	K	48.5	Very low	48.3	Very low	180 Å²	180	159 Å²	159	78%	0.783	82%	0.824	S	S	*	*			cis	163.5	103	-33.9	173	-178.8	179.3	179.1	0	109
251	K	48.4	Very low	48.4	Very low	208 Å²	208	154 Å²	154	90%	0.904	81%	0.811	S	S	*	*			trans	174.5	126.3	160.9	-96.5	151.8	-176.4	-176	0	107.4
252	K	47.5	Very low	48.3	Very low	211 Å²	211	153.7 Å²	153.7	92%	0.917	81%	0.81	S	S	*	*			cis	86.3	115.4	38.2	-81	-165.2	172.8	-178.4	0	115.7
253	G	48.2	Very low	48.5	Very low	73 Å²	73	154.2 Å²	154.2	75%	0.753	81%	0.814	S	S	*	*			trans	147.5	103.3	168.4	0	0	0	0	0	110.5
254	K	48.6	Very low	48.4	Very low	204 Å²	204	159.1 Å²	159.1	89%	0.887	82%	0.82	S	S	*	*			cis	87.9	135.3	42.8	-84.9	-163.1	171.8	-174.9	0	115.4
255	K	46.2	Very low	48.4	Very low	201 Å²	201	158 Å²	158	87%	0.874	82%	0.818	S	S	*	*			trans	74.2	153	167.7	-67.8	-177.2	177	-178.3	0	118.3
256	S	50.9	Low	48.2	Very low	93 Å²	93	161.5 Å²	161.5	65%	0.65	83%	0.83	S	S	*	*			cis	-179.5	143.4	-47.2	46.2	0	0	0	0	113.6
257	K	52.8	Low	47.6	Very low	206 Å²	206	157.5 Å²	157.5	90%	0.896	84%	0.837	S	S	*	*			trans	43.4	126.3	146.9	-63.8	178.7	177.3	178.9	0	121.7
258	K	48.3	Very low	47.1	Very low	197 Å²	197	161 Å²	161	86%	0.857	84%	0.839	S	S	*	*				-179.5	119	117.2	-141.7	162.3	177.6	-177.7	0	108.1
259	K	47.2	Very low	46.9	Very low	195 Å²	195	160.2 Å²	160.2	85%	0.848	84%	0.839	S	S	*	*				40.1	140.1	93.9	-78.4	-172.8	176.3	-174.3	0	113
260	K	47.2	Very low	46.7	Very low	197 Å²	197	156.4 Å²	156.4	86%	0.857	83%	0.828	S	S	*	*			cis	170.8	154.6	6.3	169.1	-173.6	177.9	-163.4	0	102.8
261	G	45.8	Very low	46.6	Very low	59 Å²	59	155.8 Å²	155.8	61%	0.608	83%	0.825	S	S	*	*			cis	-169.7	-155.1	1.8	0	0	0	0	0	109.8
262	E	41.9	Very low	46.6	Very low	183 Å²	183	156 Å²	156	86%	0.855	83%	0.826	S	S	*	*			trans	-80.2	157.7	-174.6	-53.9	96.3	146.9	0	0	115.5
263	A	46.7	Very low	46.6	Very low	100 Å²	100	153.3 Å²	153.3	83%	0.826	82%	0.822	S	S	*	*			trans	-152.3	133.1	148.4	0	0	0	0	0	108.8
264	E	42.9	Very low	46.7	Very low	204 Å²	204	155.3 Å²	155.3	95%	0.953	82%	0.824	S	S	*	*			trans	-97	167	174.5	-64.3	179.3	135.2	0	0	110.4
265	G	45.9	Very low	46.6	Very low	78 Å²	78	155.1 Å²	155.1	80%	0.804	82%	0.823	S	S	*	*			trans	-179.6	86	179.8	0	0	0	0	0	112.9
266	E	44.3	Very low	46.5	Very low	207 Å²	207	154.6 Å²	154.6	97%	0.967	82%	0.821	S	S	*	*			trans	-82.1	152.8	167.8	-62.2	-173.5	139.7	0	0	110.5
267	G	45.7	Very low	46.3	Very low	84 Å²	84	159.6 Å²	159.6	87%	0.866	83%	0.831	S	S	*	*			trans	-174.2	108.8	178.5	0	0	0	0	0	111.2
268	E	43.1	Very low	46	Very low	198 Å²	198	153.9 Å²	153.9	93%	0.925	82%	0.817	S	S	*	*			trans	-115.3	162.4	-176.4	-169.2	173.6	-160	0	0	111.4
269	A	45.4	Very low	46	Very low	86 Å²	86	153.1 Å²	153.1	71%	0.711	81%	0.814	S	S	*	*			trans	99.2	144.6	151.7	0	0	0	0	0	121.1
270	D	45.3	Very low	45.8	Very low	120 Å²	120	153 Å²	153	64%	0.642	81%	0.813	S	S	*	*			trans	81	95	149.2	-74.9	1.1	0	0	0	125.3
271	K	46.5	Very low	45.8	Very low	168 Å²	168	147.7 Å²	147.7	73%	0.73	80%	0.801	S	S	*	*				52.7	120	118	-60.3	-179.5	-166.2	83.8	0	119.2
272	K	49.1	Very low	45.7	Very low	213 Å²	213	154.8 Å²	154.8	93%	0.926	82%	0.815	S	S	*	*				-159.7	132.5	126.1	-111.8	158.4	-173.6	172.2	0	113.5
273	D	46.9	Very low	45.8	Very low	153 Å²	153	155.7 Å²	155.7	82%	0.818	82%	0.816	S	S	*	*			trans	-87.6	149.3	170.9	-106.7	-71.3	0	0	0	111.3
274	S	49.7	Very low	45.5	Very low	116 Å²	116	160.5 Å²	160.5	81%	0.811	82%	0.818	S	S	*	*			trans	178.1	64.5	149	38.5	0	0	0	0	118.2
275	K	45.9	Very low	45.8	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	82%	0.815	S	S	*	*				29.5	98	116.6	-172.5	-176	-173.3	175.3	0	120
276	K	45.3	Very low	45.7	Very low	191 Å²	191	162.7 Å²	162.7	83%	0.83	82%	0.819	S	S	*	*			trans	-170.7	131.6	145.6	-100.9	156.5	-177.7	178.6	0	109.1
277	K	46.2	Very low	45.7	Very low	198 Å²	198	162.5 Å²	162.5	86%	0.861	82%	0.815	S	S	*	*				62.1	135	76.5	-68.4	-174.2	178.3	-177.3	0	113.5
278	S	47.3	Very low	45.5	Very low	85 Å²	85	166.4 Å²	166.4	59%	0.594	81%	0.808	S	S	*	*			cis	-178.6	179.8	-3.3	56.5	0	0	0	0	112.1
279	K	46.9	Very low	45.4	Very low	182 Å²	182	160 Å²	160	79%	0.791	80%	0.795	S	S	*	*			trans	78	132.4	155.7	-71.7	167.5	-175.2	176.3	0	115.8
280	K	44.3	Very low	45.3	Very low	191 Å²	191	162 Å²	162	83%	0.83	79%	0.789	S	S	*	*				100.7	137.7	69.9	-169.5	178.8	174.6	-170.3	0	108.6
281	S	46.6	Very low	45	Very low	87 Å²	87	164 Å²	164	61%	0.608	80%	0.795	S	S	*	*			cis	-170.1	165.3	6.5	39.3	0	0	0	0	114
282	K	44.1	Very low	45	Very low	207 Å²	207	162.8 Å²	162.8	90%	0.9	79%	0.792	S	S	*	*			trans	45.7	147.5	139.4	-68.8	179	178.4	-175.3	0	122.3
283	K	43	Very low	44.7	Very low	202 Å²	202	160.9 Å²	160.9	88%	0.878	78%	0.783	S	S	*	*			trans	128.6	105.1	137.9	-162.8	175.8	-173.8	-176.7	0	111.7
284	K	41.9	Very low	44.4	Very low	201 Å²	201	161.6 Å²	161.6	87%	0.874	78%	0.782	S	S	*	*				70.6	98.2	71.1	-93.9	-160.9	173	-170.9	0	115.8
285	S	48.9	Very low	44.1	Very low	126 Å²	126	165.4 Å²	165.4	88%	0.881	79%	0.787	S	S	*	*			trans	175.5	175.3	145	51.4	0	0	0	0	111.3
286	K	43.4	Very low	43.8	Very low	203 Å²	203	165 Å²	165	88%	0.883	79%	0.785	S	S	*	*				174	102.7	-64	175.9	-169.5	177.3	-171.7	0	110.8
287	K	44.6	Very low	43.5	Very low	203 Å²	203	159.2 Å²	159.2	88%	0.883	78%	0.78	S	S	*	*			trans	-170.7	136.2	158.4	-104.3	-177.5	174.6	-174.4	0	107.5
288	K	41.6	Very low	43.4	Very low	165 Å²	165	157 Å²	157	72%	0.717	78%	0.777	S	S	*	*			cis	100.8	141.1	23.1	-161.1	173.4	-167.1	-72.7	0	112.9	E290	K288-E290 WeakPolarHBondContact CE-OE1 3.37Å; K288-E290 VanDerWaalsContact CG-OE2 3.28Å; K288-E290 WeakPolarHBondContact CG-OE2 3.36Å; K288-E290 IonicContact NZ-OE1 2.58Å; K288-E290 PolarHBondContact NZ-OE1 3.08Å; K288-E290 IonicContact NZ-OE2 2.68Å; K288-E290 PolarHBondContact NZ-OE2 3.4Å
289	G	41	Very low	43.2	Very low	63 Å²	63	156.7 Å²	156.7	65%	0.649	78%	0.775	S	S	*	*			trans	116.8	100.5	-153.7	0	0	0	0	0	109.9
290	E	43.5	Very low	43.1	Very low	129 Å²	129	157.1 Å²	157.1	60%	0.603	78%	0.777	S	S	*	*			cis	70.1	132.4	29.6	-68.4	153.5	154.4	0	0	112.9	K288	K288-E290 WeakPolarHBondContact CE-OE1 3.37Å; K288-E290 VanDerWaalsContact CG-OE2 3.28Å; K288-E290 WeakPolarHBondContact CG-OE2 3.36Å; K288-E290 IonicContact NZ-OE1 2.58Å; K288-E290 PolarHBondContact NZ-OE1 3.08Å; K288-E290 IonicContact NZ-OE2 2.68Å; K288-E290 PolarHBondContact NZ-OE2 3.4Å
291	E	39.4	Very low	43.2	Very low	163 Å²	163	156.1 Å²	156.1	76%	0.762	77%	0.773	S	S	*	*			cis	-166.9	-177.4	-7.5	-163	160.1	-155.6	0	0	110.2
292	E	44.6	Very low	43.2	Very low	141 Å²	141	160.6 Å²	160.6	66%	0.659	78%	0.782	S	S	*	*			trans	69.4	156.7	161.5	-57	-156.1	136.9	0	0	118.8
293	K	43.9	Very low	43.3	Very low	173 Å²	173	155.8 Å²	155.8	75%	0.752	77%	0.774	S	S	*	*			cis	-150.7	164.6	-6.4	-128.5	162.4	-170.9	144.2	0	110.9
294	E	39.5	Very low	43.7	Very low	169 Å²	169	155.8 Å²	155.8	79%	0.79	77%	0.774	S	S	*	*			trans	-87.1	155.7	167.9	-56.4	-173.8	143.2	0	0	112
295	E	43.3	Very low	43.9	Very low	196 Å²	196	155.6 Å²	155.6	92%	0.916	77%	0.773	S	S	*	*			trans	-154.6	173.7	143.3	-130.2	-177.4	165.3	0	0	113.4
296	K	40	Very low	43.9	Very low	189 Å²	189	154.1 Å²	154.1	82%	0.822	76%	0.762	S	S	*	*			trans	-127.2	164.3	-155.2	-62.5	170.5	-178.5	166.4	0	114.3
297	G	40.2	Very low	44.2	Very low	70 Å²	70	153.6 Å²	153.6	72%	0.722	76%	0.76	S	S	*	*			trans	97.8	160.9	151.6	0	0	0	0	0	116.9
298	D	42.8	Very low	44.2	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	75%	0.752	S	S	*	*			cis	-154	177.1	-19.5	-152.7	-89.3	0	0	0	111.7
299	S	44.7	Very low	44.6	Very low	79 Å²	79	153 Å²	153	55%	0.552	76%	0.758	S	S	*	*			trans	-54.1	155	-174.5	61.7	0	0	0	0	118.7
300	K	44.1	Very low	44.8	Very low	190 Å²	190	159.7 Å²	159.7	83%	0.826	77%	0.769	S	S	*	*			trans	155	153.1	133.6	-84.2	152.5	-166.3	161.2	0	112.4
301	K	46.8	Very low	44.9	Very low	170 Å²	170	162 Å²	162	74%	0.739	78%	0.777	S	S	*	*			cis	-172.6	154.2	-22.9	-159.2	175	-176.7	167.2	0	109.4
302	K	46.5	Very low	45	Very low	182 Å²	182	161.1 Å²	161.1	79%	0.791	77%	0.77	S	S	*	*			trans	72.2	134.3	168.7	-44.7	177.7	-173.5	172.2	0	115.5
303	S	45.1	Very low	45	Very low	105 Å²	105	157.2 Å²	157.2	73%	0.734	77%	0.768	S	S	*	*			cis	102.9	152.7	9.4	90.3	0	0	0	0	117.9
304	K	51.2	Low	44.9	Very low	202 Å²	202	154.8 Å²	154.8	88%	0.878	76%	0.76	S	S	*	*			trans	81.7	148.7	-166.7	-51.9	175.1	-178.6	179.4	0	113
305	K	46.6	Very low	44.9	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.857	76%	0.761	S	S	*	*			cis	-145.2	139.8	9.6	-157.2	173	-178.9	-178.9	0	113.1
306	S	49	Very low	45	Very low	95 Å²	95	152.8 Å²	152.8	66%	0.664	75%	0.75	S	S	*	*			trans	-73.4	164.2	-175.3	48.8	0	0	0	0	118.2
307	K	49.5	Very low	45.2	Very low	192 Å²	192	152.1 Å²	152.1	84%	0.835	75%	0.747	S	S	*	*				149.7	155.7	124.8	-83.1	175.9	-177.3	179.1	0	112.8
308	K	44.6	Very low	45.3	Very low	164 Å²	164	152.1 Å²	152.1	71%	0.713	74%	0.741	S	S	*	*			cis	179.9	119.6	-11.5	165.8	-163.3	171.8	-166.4	0	113.2
309	K	49.6	Very low	45.4	Very low	193 Å²	193	151.6 Å²	151.6	84%	0.839	74%	0.738	S	S	*	*			trans	60.7	171	155.9	-54.6	-179.4	-178	-166.4	0	116.9
310	K	46.9	Very low	45.6	Very low	203 Å²	203	154.2 Å²	154.2	88%	0.883	74%	0.741	S	S	*	*			cis	-114.6	-141	-7.5	-147.9	-170.5	177.5	179.1	0	107.6
311	K	44.4	Very low	45.8	Very low	178 Å²	178	153 Å²	153	77%	0.774	74%	0.736	S	S	*	*			cis	-150.4	150.5	-8	-173.7	-141.2	163.6	-133.4	0	108
312	K	43	Very low	45.5	Very low	143 Å²	143	154.2 Å²	154.2	62%	0.622	74%	0.744	S	S	*	*			trans	-64.9	163.2	163.6	-84.1	169	146.8	-86.4	0	113.8	E314	K312-E314 IonicContact NZ-OE1 2.6Å; K312-E314 PolarHBondContact NZ-OE1 3.37Å; K312-E314 IonicContact NZ-OE2 2.73Å; K312-E314 PolarHBondContact NZ-OE2 2.91Å
313	G	42.8	Very low	45.2	Very low	59 Å²	59	149 Å²	149	61%	0.608	74%	0.742	S	S	*	*			cis	147.2	179.6	5	0	0	0	0	0	110.6
314	E	42.3	Very low	45	Very low	123 Å²	123	147.8 Å²	147.8	58%	0.575	73%	0.734	S	S	*	*			trans	59.3	121	167.1	-67.1	112.4	126.5	0	0	116.7	K312	K312-E314 IonicContact NZ-OE1 2.6Å; K312-E314 PolarHBondContact NZ-OE1 3.37Å; K312-E314 IonicContact NZ-OE2 2.73Å; K312-E314 PolarHBondContact NZ-OE2 2.91Å
315	E	39.5	Very low	44.8	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	73%	0.734	S	S	*	*				66.3	132	62.6	-62	-179.6	120.4	0	0	111.4
316	E	44.8	Very low	44.5	Very low	146 Å²	146	142 Å²	142	68%	0.682	73%	0.73	S	S	*	*			cis	-145.5	172	34.2	-65.6	-169.9	106.7	0	0	114.9
317	K	44.1	Very low	44.3	Very low	175 Å²	175	144.2 Å²	144.2	76%	0.761	73%	0.734	S	S	*	*			trans	36.2	157.6	133.2	-66.2	166.4	-173.8	160	0	122.3
318	A	43.3	Very low	44.1	Very low	70 Å²	70	139.8 Å²	139.8	58%	0.579	73%	0.727	S	S	*	*			cis	-175.8	170.4	-23.7	0	0	0	0	0	107.8
319	D	45.5	Very low	44.2	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	73%	0.734	S	S	*	*			trans	62.4	153.2	155.8	-63.6	-49.9	0	0	0	120.1
320	E	47.6	Very low	44.3	Very low	134 Å²	134	139.8 Å²	139.8	63%	0.626	73%	0.727	S	S	*	*			cis	-165	-178.5	-44	-132.3	-165	161.8	0	0	108.9
321	K	49	Very low	44.6	Very low	164 Å²	164	139 Å²	139	71%	0.713	72%	0.723	S	S	*	*			trans	53.3	94	156	-72.6	152.3	-179.6	146.4	0	116
322	E	41.3	Very low	44.9	Very low	195 Å²	195	134.4 Å²	134.4	91%	0.911	71%	0.714	S	S	*	*				59.5	124.4	60.5	-158.3	-168.9	-162.7	0	0	114.4
323	G	40.1	Very low	45.3	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	72%	0.723	S	S	*	*			trans	98.2	162.4	162.8	0	0	0	0	0	116.2
324	S	40.9	Very low	45.8	Very low	81 Å²	81	142 Å²	142	57%	0.566	73%	0.73	S	S	*	*			cis	-169.3	118.3	-13.7	148.7	0	0	0	0	111.5
325	K	46.1	Very low	46.3	Very low	203 Å²	203	140.2 Å²	140.2	88%	0.883	73%	0.731	S	S	*	*			trans	63.7	174.7	162	-49.4	170.2	-165.7	93	0	114.9
326	G	40.6	Very low	46.9	Very low	74 Å²	74	141 Å²	141	76%	0.763	73%	0.732	S	S	*	*			trans	151.9	50.4	169.3	0	0	0	0	0	118.2	S328	G326-S328 PolarHBondContact O-N 2.63Å
327	D	44.4	Very low	47	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	74%	0.739	S	S	*	*			trans	-44	127.5	-178.6	-69.4	-101.5	0	0	0	118.5
328	S	44.7	Very low	47.2	Very low	98 Å²	98	143.9 Å²	143.9	69%	0.685	74%	0.742	S	S	*	*			trans	55.5	110.9	135.7	75.9	0	0	0	0	120.3	G326	G326-S328 PolarHBondContact O-N 2.63Å
329	K	48.3	Very low	47.4	Very low	200 Å²	200	149.7 Å²	149.7	87%	0.87	76%	0.755	S	S	*	*			trans	-172.7	158.6	149.9	-99.5	135.4	-168.9	168.2	0	109.8
330	K	50.8	Low	47.3	Very low	157 Å²	157	152 Å²	152	68%	0.683	76%	0.758	S	S	*	*			cis	176.2	119.7	-22.3	162.3	-175	171	-172.8	0	108.1
331	K	52.4	Low	47.2	Very low	186 Å²	186	154 Å²	154	81%	0.809	76%	0.764	S	S	*	*			trans	65.7	161.9	165.4	-68	-177.8	-177.9	-168.8	0	114
332	S	50.4	Low	46.9	Very low	82 Å²	82	149 Å²	149	57%	0.573	76%	0.76	S	S	*	*			cis	-174.1	-174.8	-15.2	49.6	0	0	0	0	109.1
333	K	52.4	Low	47	Very low	187 Å²	187	146.8 Å²	146.8	81%	0.813	75%	0.749	S	S	*	*			trans	79	151	159.8	-67.1	163.8	-174.6	176.9	0	115.4
334	K	53.1	Low	47	Very low	175 Å²	175	152.3 Å²	152.3	76%	0.761	76%	0.756	S	S	*	*			cis	-176.4	162.2	-12.1	170.8	-178.7	177.1	-175.1	0	109.7
335	S	53.1	Low	46.9	Very low	85 Å²	85	151.5 Å²	151.5	59%	0.594	76%	0.76	S	S	*	*			trans	98.1	119.3	163.9	-47.1	0	0	0	0	116.5
336	K	51.6	Low	46.8	Very low	194 Å²	194	151.2 Å²	151.2	84%	0.843	76%	0.762	S	S	*	*				77.6	145.8	92.6	-64.5	170.6	-178.4	-179.6	0	112.5
337	K	47.3	Very low	47.2	Very low	193 Å²	193	154 Å²	154	84%	0.839	76%	0.76	S	S	*	*			cis	-161.1	113.3	23.8	-161.8	175.9	176.9	-171.7	0	109.9
338	K	47.6	Very low	47.1	Very low	188 Å²	188	153.9 Å²	153.9	82%	0.817	75%	0.754	S	S	*	*				64.6	128.3	107.7	-87.8	-171.2	174.9	-176.2	0	121.3
339	K	47.6	Very low	47.2	Very low	193 Å²	193	156.3 Å²	156.3	84%	0.839	75%	0.753	S	S	*	*			trans	74.7	156.2	159.1	-61.7	-176.3	174.8	-173.4	0	116.8
340	K	44.5	Very low	47.1	Very low	189 Å²	189	155.8 Å²	155.8	82%	0.822	75%	0.753	S	S	*	*			cis	-154.5	127.4	6.8	-142.9	-174.7	176.7	-166.8	0	109.2
341	K	44	Very low	46.6	Very low	175 Å²	175	151.7 Å²	151.7	76%	0.761	76%	0.755	S	S	*	*				56.4	127.4	106.1	-154.1	-174.1	-168.7	-80.8	0	119.6	E343	K341-E343 IonicContact NZ-OE1 3.29Å; K341-E343 PolarHBondContact NZ-OE1 3.13Å; K341-E343 IonicContact NZ-OE2 2.6Å; K341-E343 PolarHBondContact NZ-OE2 3.35Å
342	G	43.5	Very low	46.3	Very low	60 Å²	60	148 Å²	148	62%	0.619	76%	0.76	S	S	*	*			trans	144.2	130.7	173.9	0	0	0	0	0	108.4
343	E	43.6	Very low	46.2	Very low	149 Å²	149	154.1 Å²	154.1	70%	0.696	78%	0.776	S	S	*	*			cis	62	130.6	30.5	-66	146.9	136.4	0	0	113.1	K341	K341-E343 IonicContact NZ-OE1 3.29Å; K341-E343 PolarHBondContact NZ-OE1 3.13Å; K341-E343 IonicContact NZ-OE2 2.6Å; K341-E343 PolarHBondContact NZ-OE2 3.35Å
344	E	40.7	Very low	45.5	Very low	188 Å²	188	148.9 Å²	148.9	88%	0.879	78%	0.775	S	S	*	*			cis	-165.1	159.7	-6.5	176.4	168.5	-146.7	0	0	109.7
345	G	37.8	Very low	45.2	Very low	64 Å²	64	145.7 Å²	145.7	66%	0.66	78%	0.775	S	S	*	*			trans	89.3	143.4	154.5	0	0	0	0	0	120.2
346	E	44.8	Very low	45	Very low	197 Å²	197	147 Å²	147	92%	0.921	79%	0.785	S	S	*	*			trans	48.3	145	137.1	-66.9	177.1	176.4	0	0	122.1
347	D	48.6	Very low	44.9	Very low	133 Å²	133	147.3 Å²	147.3	71%	0.711	79%	0.786	S	S	*	*			cis	-163.5	175.8	-20.7	-162.4	-4.2	0	0	0	108.3
348	E	41.8	Very low	44.7	Very low	138 Å²	138	147.9 Å²	147.9	65%	0.645	79%	0.788	S	S	*	*			trans	66.1	158.9	157.3	-65.9	-142.7	124.3	0	0	120.9
349	K	46.7	Very low	44.8	Very low	150 Å²	150	148.6 Å²	148.6	65%	0.652	79%	0.791	S	S	*	*			cis	-163.6	169.5	-43.6	-151.8	172.1	-99.3	160.1	0	109.5
350	E	46.2	Very low	44.7	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	79%	0.786	S	S	*	*			trans	66.8	150.6	161.4	-58.5	-157.6	164.5	0	0	120.9
351	G	42	Very low	45	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	79%	0.789	S	S	*	*			trans	173.6	-5.7	179.6	0	0	0	0	0	118	K353	G351-K353 PolarHBondContact O-N 3.47Å
352	A	44.5	Very low	45.2	Very low	110 Å²	110	147.1 Å²	147.1	91%	0.909	80%	0.798	S	S	*	*			trans	-94.3	82.6	-172.7	0	0	0	0	0	113.8
353	K	48.4	Very low	45.2	Very low	209 Å²	209	148.1 Å²	148.1	91%	0.909	81%	0.808	S	S	*	*			trans	-82.2	117.7	179.8	-67.7	177.7	179.8	173.5	0	112.7	G351	G351-K353 PolarHBondContact O-N 3.47Å
354	G	39.3	Very low	45.5	Very low	77 Å²	77	150.8 Å²	150.8	79%	0.794	82%	0.817	S	S	*	*			trans	-95.4	163.5	171.7	0	0	0	0	0	113.8
355	S	46.5	Very low	45.7	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	82%	0.819	S	S	*	*			trans	-151.7	105.3	177.2	58.4	0	0	0	0	116.3
356	S	48.6	Very low	46.1	Very low	113 Å²	113	158.3 Å²	158.3	79%	0.79	83%	0.829	S	S	*	*			trans	65	163.1	156.6	83.4	0	0	0	0	117.8
357	K	49.3	Very low	46.1	Very low	199 Å²	199	158.9 Å²	158.9	87%	0.865	83%	0.828	S	S	*	*			cis	-153.1	116.6	13.7	-151.1	159.9	-173.4	167.2	0	111.2
358	K	42.1	Very low	45.8	Very low	206 Å²	206	161.5 Å²	161.5	90%	0.896	83%	0.834	S	S	*	*			trans	-94.9	135.2	166.6	-84.8	180	177.3	171.4	0	110.4
359	K	50.4	Low	45.7	Very low	202 Å²	202	157.6 Å²	157.6	88%	0.878	83%	0.83	S	S	*	*			trans	171.2	115.5	151.6	-96.7	157.6	-178	-178.8	0	107.7
360	S	45.6	Very low	45.5	Very low	103 Å²	103	158.6 Å²	158.6	72%	0.72	84%	0.837	S	S	*	*			cis	99.6	96.3	36.5	72.9	0	0	0	0	114.3
361	K	49.7	Very low	45.3	Very low	207 Å²	207	158.7 Å²	158.7	90%	0.9	84%	0.838	S	S	*	*			trans	-175.1	114.2	156.8	-101.3	164.9	-177.1	-179.5	0	105.1
362	K	49.2	Very low	45.2	Very low	217 Å²	217	164.4 Å²	164.4	94%	0.943	85%	0.845	S	S	*	*			cis	71	82.9	43.6	-157.8	176.9	-175.5	178.3	0	112.2
363	G	44.4	Very low	45	Very low	80 Å²	80	163 Å²	163	83%	0.825	84%	0.842	S	S	*	*			trans	-154.9	110.6	177.5	0	0	0	0	0	112.3
364	K	48.5	Very low	44.5	Very low	205 Å²	205	158 Å²	158	89%	0.891	84%	0.839	S	S	*	*			trans	-82.1	140.7	-176.7	-53.5	165.8	179.3	174.3	0	111.5
365	K	46.4	Very low	44.9	Very low	211 Å²	211	160 Å²	160	92%	0.917	83%	0.831	S	S	*	*				-177.9	172.1	111.4	-104.1	176.7	177.5	176.5	0	113.2
366	K	44.8	Very low	44.7	Very low	199 Å²	199	162.9 Å²	162.9	87%	0.865	83%	0.833	S	S	*	*			trans	-107	166	-171.5	-59	177.7	178.5	179.4	0	112.3
367	K	45.7	Very low	44.6	Very low	209 Å²	209	164.1 Å²	164.1	91%	0.909	82%	0.824	S	S	*	*			trans	105.7	150.3	164.3	-65.4	-179	177.2	-176.3	0	113.7
368	K	41.5	Very low	44.5	Very low	189 Å²	189	163.5 Å²	163.5	82%	0.822	82%	0.824	S	S	*	*			cis	164.2	136.6	-26.7	174.7	-174.1	178.3	-152.6	0	104.1
369	G	39.4	Very low	44.5	Very low	56 Å²	56	156.7 Å²	156.7	58%	0.577	81%	0.812	S	S	*	*			trans	84.6	161	-178.1	0	0	0	0	0	111.9
370	E	42.4	Very low	44.1	Very low	171 Å²	171	151.6 Å²	151.6	80%	0.799	80%	0.802	S	S	*	*			cis	174.7	153.8	-22.1	-114.8	151.7	157.3	0	0	105.3
371	E	43	Very low	44	Very low	189 Å²	189	156.3 Å²	156.3	88%	0.883	81%	0.81	S	S	*	*			trans	63.4	178.5	166.6	-70.7	-170.3	132	0	0	120.7
372	E	40	Very low	43.6	Very low	192 Å²	192	149.9 Å²	149.9	90%	0.897	80%	0.803	S	S	*	*			trans	-86.4	159.4	-143	-54.4	179	121.2	0	0	115.5
373	G	38.9	Very low	43.4	Very low	81 Å²	81	144.4 Å²	144.4	84%	0.835	79%	0.792	S	S	*	*			trans	-165.6	104	166.9	0	0	0	0	0	111.8
374	A	39.4	Very low	43.4	Very low	102 Å²	102	149.8 Å²	149.8	84%	0.843	79%	0.792	S	S	*	*			trans	-123.5	116.9	-177.7	0	0	0	0	0	112.3
375	D	46.9	Very low	43.1	Very low	120 Å²	120	148.8 Å²	148.8	64%	0.642	79%	0.788	S	S	*	*			trans	-168.1	162.8	164	-123.5	-24.8	0	0	0	106.6	K377	D375-K377 IonicContact OD1-NZ 2.65Å; D375-K377 PolarHBondContact OD1-NZ 3.45Å; D375-K377 IonicContact OD2-NZ 2.64Å; D375-K377 PolarHBondContact OD2-NZ 3.46Å
376	E	42.6	Very low	43	Very low	170 Å²	170	148 Å²	148	79%	0.794	79%	0.785	S	S	*	*			cis	-127.4	147.9	13.9	-64.2	-176.6	118.4	0	0	109.7
377	K	47.3	Very low	43	Very low	139 Å²	139	142.8 Å²	142.8	60%	0.604	77%	0.773	S	S	*	*				47	143.5	84.8	-45.5	-172.6	-170.1	74.4	0	113.7	D375	D375-K377 IonicContact OD1-NZ 2.65Å; D375-K377 PolarHBondContact OD1-NZ 3.45Å; D375-K377 IonicContact OD2-NZ 2.64Å; D375-K377 PolarHBondContact OD2-NZ 3.46Å
378	E	45.9	Very low	42.9	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	77%	0.769	S	S	*	*			cis	-164.7	166.4	26.7	-145.6	161.3	-127.2	0	0	108.6
379	G	42.1	Very low	43.2	Very low	63 Å²	63	142.1 Å²	142.1	65%	0.649	77%	0.77	S	S	*	*			cis	148.6	124.2	-10.7	0	0	0	0	0	114
380	S	41.6	Very low	43.4	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	77%	0.771	S	S	*	*			trans	-166.2	117.4	155.8	-87.9	0	0	0	0	111.8
381	K	45	Very low	43.5	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	77%	0.774	S	S	*	*				70.5	119.1	98.5	-64.8	165.5	-168.7	163.7	0	113.4
382	G	40.8	Very low	43.8	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	77%	0.771	S	S	*	*			cis	-176.6	-170.3	-1.1	0	0	0	0	0	109.7
383	S	44.2	Very low	44	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	77%	0.768	S	S	*	*			cis	-164.2	133.7	-0.4	-77	0	0	0	0	112.2
384	K	44.3	Very low	44.3	Very low	192 Å²	192	150.6 Å²	150.6	84%	0.835	77%	0.77	S	S	*	*			trans	61.5	151.2	144.9	-63.4	164.3	-174.6	169.3	0	118.2
385	K	42.4	Very low	44.6	Very low	185 Å²	185	153.6 Å²	153.6	80%	0.804	76%	0.764	S	S	*	*			cis	-161	137.8	7.4	-128.5	172.7	-179.4	-176.3	0	111.8
386	K	45.2	Very low	44.3	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	76%	0.761	S	S	*	*			trans	17	155.8	141.8	-65.8	-178.7	179	-179.4	0	123
387	S	43.8	Very low	44.5	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	75%	0.748	S	S	*	*			cis	174.1	164.2	-16.1	62.5	0	0	0	0	114.9
388	K	44.1	Very low	44.4	Very low	189 Å²	189	147 Å²	147	82%	0.822	75%	0.747	S	S	*	*			trans	76.5	129.4	158.4	-69.1	174.8	-179.6	-178.8	0	117.5
389	K	47.1	Very low	44.2	Very low	196 Å²	196	140 Å²	140	85%	0.852	72%	0.724	S	S	*	*				81.7	139.2	63.6	-81.4	-170.5	174.9	178.7	0	114.1
390	S	44.9	Very low	44.5	Very low	85 Å²	85	140.4 Å²	140.4	59%	0.594	71%	0.709	S	S	*	*			cis	178.2	157.2	-7.7	58.7	0	0	0	0	116.3
391	K	44.9	Very low	44.8	Very low	198 Å²	198	141.9 Å²	141.9	86%	0.861	71%	0.705	S	S	*	*			trans	73.8	158.2	163.4	-51.5	171.3	178.5	174.4	0	116
392	K	48.5	Very low	44.9	Very low	191 Å²	191	139.3 Å²	139.3	83%	0.83	70%	0.697	S	S	*	*			cis	-168.4	117.7	22.6	-165	-177.3	178.5	-172.3	0	116.6
393	K	44.6	Very low	45.3	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	70%	0.695	S	S	*	*			trans	44.7	145	144.8	-65.4	-172.1	175.2	-177.2	0	127.5
394	K	45	Very low	45.4	Very low	201 Å²	201	147.8 Å²	147.8	87%	0.874	70%	0.703	S	S	*	*			trans	79.4	157.4	151.8	-75.1	-177.8	173.4	-173.2	0	120.4
395	K	44.8	Very low	45.2	Very low	166 Å²	166	141 Å²	141	72%	0.722	69%	0.688	S	S	*	*			cis	-174.8	138	-32.1	-176.5	-170.5	-178.4	-83.1	0	113	E397	K395-E397 IonicContact NZ-OE2 2.67Å; K395-E397 PolarHBondContact NZ-OE2 3.49Å
396	G	41.1	Very low	45.5	Very low	56 Å²	56	142.5 Å²	142.5	58%	0.577	69%	0.694	S	S	*	*			trans	90.7	166.4	154.3	0	0	0	0	0	119.7
397	E	46.3	Very low	45.6	Very low	112 Å²	112	143.5 Å²	143.5	52%	0.523	70%	0.698	S	S	.	*			cis	-169.9	147.2	-27.5	-119	151.8	157	0	0	114.2	K395 K544	K395-E397 IonicContact NZ-OE2 2.67Å; K395-E397 PolarHBondContact NZ-OE2 3.49Å; E397-K544 WeakPolarHBondContact O-CE 3.4Å; E397-K544 PolarHBondContact O-NZ 2.6Å
398	E	45.9	Very low	45.9	Very low	121 Å²	121	143.1 Å²	143.1	57%	0.565	71%	0.709	S	S	*	*			trans	57.9	129.4	136.9	-155.4	138.4	-96.7	0	0	129	E400 K545 K546	E398-E400 WeakPolarHBondContact CA-OE2 3.27Å; E398-K545 WeakPolarHBondContact O-CE 3.42Å; E398-K545 PolarHBondContact O-NZ 3.48Å; E398-K546 IonicContact OE1-NZ 2.73Å; E398-K546 PolarHBondContact OE1-NZ 3.24Å
399	G	42.1	Very low	45.7	Very low	38 Å²	38	141.8 Å²	141.8	39%	0.392	71%	0.711	S	S	.	*			trans	110.3	104.9	150.6	0	0	0	0	0	119.2	K545	G399-K545 VanDerWaalsContact O-CD 3.28Å; G399-K545 WeakPolarHBondContact O-CD 3.26Å; G399-K545 PolarHBondContact O-NZ 2.6Å
400	E	47.6	Very low	45.8	Very low	72 Å²	72	137 Å²	137	34%	0.336	70%	0.702	S	S	.	*			cis	98.5	124.5	10.9	-58.9	152	64	0	0	115.3	E398 K546 S547	E398-E400 WeakPolarHBondContact CA-OE2 3.27Å; E400-K546 VanDerWaalsContact CD-CG 3.44Å; E400-K546 HydrophobicContact CG-CB 3.86Å; E400-K546 HydrophobicContact CG-CG 4.25Å; E400-K546 WeakPolarHBondContact CG-O 3.44Å; E400-K546 WeakPolarHBondContact OE1-CG 3.43Å; E400-K546 IonicContact OE1-NZ 2.67Å; E400-K546 PolarHBondContact OE1-NZ 3.48Å; E400-K546 VanDerWaalsContact OE2-CB 3.31Å; E400-K546 WeakPolarHBondContact OE2-CB 3.45Å; E400-K546 WeakPolarHBondContact OE2-CD 3.39Å; E400-K546 WeakPolarHBondContact OE2-CE 3.46Å; E400-K546 VanDerWaalsContact OE2-CG 3.25Å; E400-K546 WeakPolarHBondContact OE2-CG 3.28Å; E400-K546 IonicContact OE2-NZ 3.07Å; E400-K546 PolarHBondContact OE2-NZ 3.33Å; E400-S547 WeakPolarHBondContact OE1-CB 3.37Å; E400-S547 PolarHBondContact OE1-OG 3.38Å
401	E	49.3	Very low	45.8	Very low	126 Å²	126	141.6 Å²	141.6	59%	0.589	71%	0.711	S	S	*	*			cis	-114.8	-110.4	-3.3	-60.7	-168.9	0.7	0	0	113.7	S547 K548	E401-S547 VanDerWaalsContact OE2-C 3.29Å; E401-S547 WeakPolarHBondContact OE2-CB 3.41Å; E401-K548 PolarHBondContact OE2-N 3.29Å
402	E	46.8	Very low	45.9	Very low	148 Å²	148	141.4 Å²	141.4	69%	0.692	71%	0.71	S	S	*	*			cis	-168.6	168.2	-8.3	-153.9	-146.8	147	0	0	112.1
403	K	48.8	Very low	45.8	Very low	164 Å²	164	142.6 Å²	142.6	71%	0.713	72%	0.716	S	S	*	*			trans	60.6	156	168.1	-65.5	176.6	177.2	68.4	0	122.2
404	E	46.3	Very low	45.7	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	71%	0.713	S	S	*	*				-154.4	-157.9	-57.9	-142	-155.5	-79.7	0	0	106.7
405	G	40.1	Very low	45.8	Very low	50 Å²	50	139.3 Å²	139.3	52%	0.515	72%	0.715	S	S	.	*			cis	166.6	137.3	-0.2	0	0	0	0	0	112.7
406	K	49.6	Very low	45.8	Very low	216 Å²	216	140.9 Å²	140.9	94%	0.939	72%	0.722	S	S	*	*			trans	-169.4	151.3	170.8	-115.3	161.5	-173	171.7	0	113.3
407	K	45.4	Very low	46.1	Very low	215 Å²	215	142.9 Å²	142.9	94%	0.935	73%	0.727	S	S	*	*			trans	-110	162.5	179.8	-69.7	179.1	179.2	173.1	0	112.5
408	G	50.1	Low	46	Very low	81 Å²	81	146.4 Å²	146.4	84%	0.835	74%	0.741	S	S	*	*			trans	-167.2	106.8	166.7	0	0	0	0	0	113.6
409	D	41.5	Very low	46.1	Very low	161 Å²	161	150.6 Å²	150.6	86%	0.861	76%	0.757	S	S	*	*			trans	-123.2	133.2	-178.9	-114.8	-58	0	0	0	110.3
410	S	48.7	Very low	46.4	Very low	96 Å²	96	159 Å²	159	67%	0.671	78%	0.783	S	S	*	*			trans	-178.2	132.9	155.4	-96.2	0	0	0	0	117.9
411	K	44	Very low	46.5	Very low	181 Å²	181	164.6 Å²	164.6	79%	0.787	81%	0.806	S	S	*	*			trans	59.9	110.8	134.4	-67.1	167.9	-177	167.1	0	119.1
412	K	47.1	Very low	46.3	Very low	194 Å²	194	168.2 Å²	168.2	84%	0.843	82%	0.82	S	S	*	*				74.7	113.3	82.3	-80.2	-172.2	176.2	-178.2	0	115.7
413	K	45.9	Very low	46.3	Very low	216 Å²	216	168.7 Å²	168.7	94%	0.939	82%	0.82	S	S	*	*				177.4	168.5	114.1	-97.5	167.7	-177.5	176.8	0	112.7
414	S	44.3	Very low	46	Very low	111 Å²	111	164 Å²	164	78%	0.776	82%	0.818	S	S	*	*			trans	-135.9	166.2	-174.3	59.3	0	0	0	0	111.6
415	K	46	Very low	46	Very low	212 Å²	212	161.7 Å²	161.7	92%	0.922	81%	0.808	S	S	*	*			trans	-172.7	154.3	142.3	-105.8	165.2	-176	-173.9	0	114.3
416	K	45.7	Very low	46.2	Very low	199 Å²	199	168.1 Å²	168.1	87%	0.865	82%	0.824	S	S	*	*			trans	-91	163.5	-176.9	-58.7	171.7	175	175.5	0	112.7
417	S	47	Very low	45.8	Very low	98 Å²	98	161 Å²	161	69%	0.685	81%	0.812	S	S	*	*				146	162.1	102	67.4	0	0	0	0	118.6
418	K	44.8	Very low	45.6	Very low	186 Å²	186	155.8 Å²	155.8	81%	0.809	81%	0.809	S	S	*	*			trans	80.9	123	163.8	-62.9	174.8	-176.4	-179.1	0	116.8
419	K	46.9	Very low	45.3	Very low	209 Å²	209	159.1 Å²	159.1	91%	0.909	81%	0.808	S	S	*	*				89.4	146.9	58.8	-85	-171.5	172	-175.5	0	111.9
420	K	47.6	Very low	45.2	Very low	213 Å²	213	158.5 Å²	158.5	93%	0.926	80%	0.799	S	S	*	*			cis	-106.8	-154	24.9	-49.7	178.4	-176.7	177.8	0	115
421	K	49.7	Very low	45	Very low	191 Å²	191	161.8 Å²	161.8	83%	0.83	80%	0.802	S	S	*	*			trans	-159.5	139.8	177.7	174.5	-174.1	175.4	-175.4	0	112.9
422	K	45.1	Very low	45	Very low	201 Å²	201	162.6 Å²	162.6	87%	0.874	81%	0.808	S	S	*	*			trans	-167.7	137.9	156.3	-98.5	179.2	-179.9	-170.2	0	107.8
423	K	46.7	Very low	44.5	Very low	158 Å²	158	156.8 Å²	156.8	69%	0.687	80%	0.804	S	S	*	*			cis	81.7	132.9	30.7	-144.9	-176.7	-172.2	-70.6	0	112.3	E425	K423-E425 VanDerWaalsContact NZ-CD 3.31Å; K423-E425 IonicContact NZ-OE1 2.7Å; K423-E425 PolarHBondContact NZ-OE1 3.42Å; K423-E425 VanDerWaalsContact NZ-OE1 3.07Å; K423-E425 IonicContact NZ-OE2 2.64Å; K423-E425 PolarHBondContact NZ-OE2 3.34Å
424	G	43.1	Very low	44.2	Very low	67 Å²	67	151 Å²	151	69%	0.691	79%	0.79	S	S	*	*			cis	-141.3	-152.2	1.5	0	0	0	0	0	111.9
425	E	47.2	Very low	44.1	Very low	141 Å²	141	155.2 Å²	155.2	66%	0.659	80%	0.795	S	S	*	*			cis	-158.7	-162.7	-4.7	-147.8	99.3	132.1	0	0	109.5	K423	K423-E425 VanDerWaalsContact NZ-CD 3.31Å; K423-E425 IonicContact NZ-OE1 2.7Å; K423-E425 PolarHBondContact NZ-OE1 3.42Å; K423-E425 VanDerWaalsContact NZ-OE1 3.07Å; K423-E425 IonicContact NZ-OE2 2.64Å; K423-E425 PolarHBondContact NZ-OE2 3.34Å
426	E	43.8	Very low	43.8	Very low	185 Å²	185	148.8 Å²	148.8	86%	0.864	79%	0.789	S	S	*	*			trans	-77.7	179.1	-169.4	-67	147.4	123.5	0	0	116.2
427	G	40.4	Very low	43.4	Very low	66 Å²	66	145 Å²	145	68%	0.68	79%	0.787	S	S	*	*			cis	-159.1	159.7	3	0	0	0	0	0	110.7
428	A	41.4	Very low	42.8	Very low	105 Å²	105	146 Å²	146	87%	0.868	79%	0.794	S	S	*	*				74.7	103	74.4	0	0	0	0	0	115.7
429	D	44.3	Very low	42.6	Very low	152 Å²	152	147 Å²	147	81%	0.813	80%	0.798	S	S	*	*				-168	175	122.9	-141.8	-58	0	0	0	110.7
430	E	38.9	Very low	42.1	Very low	147 Å²	147	146.5 Å²	146.5	69%	0.687	80%	0.796	S	S	*	*			trans	-109.7	160.3	-169	-53.1	177.5	137.9	0	0	113.7
431	K	45.5	Very low	41.7	Very low	166 Å²	166	140.9 Å²	140.9	72%	0.722	78%	0.784	S	S	*	*				173.6	169.4	105.1	-100.6	157.1	-170.9	69.5	0	114.7
432	E	42.8	Very low	41.3	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	78%	0.782	S	S	*	*			trans	-68.4	167	-173.4	-52.3	175.3	95.5	0	0	114.5
433	G	36.5	Very low	41.1	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	78%	0.782	S	S	*	*			trans	-137.3	-50.4	-174.1	0	0	0	0	0	117.8
434	S	41.4	Very low	40.9	Very low	93 Å²	93	137 Å²	137	65%	0.65	78%	0.778	S	S	*	*			trans	69	147.1	173.6	-150.1	0	0	0	0	119
435	K	41.9	Very low	40.9	Very low	201 Å²	201	142.3 Å²	142.3	87%	0.874	78%	0.782	S	S	*	*			trans	65.8	150.8	166.1	-56.2	127.1	-171.5	168.7	0	117.1
436	G	39.3	Very low	40.6	Very low	77 Å²	77	144.7 Å²	144.7	79%	0.794	79%	0.79	S	S	*	*			cis	-150.7	175.3	4.8	0	0	0	0	0	113.9
437	S	37.2	Very low	40.6	Very low	120 Å²	120	144 Å²	144	84%	0.839	78%	0.784	S	S	*	*			trans	-93.3	157.4	-159.5	54.1	0	0	0	0	116.5
438	S	34.2	Very low	40.7	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	79%	0.79	S	S	*	*			trans	-73.4	150.5	174.7	64	0	0	0	0	112.9
439	K	40.5	Very low	40.8	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.896	79%	0.786	S	S	*	*			trans	-133	125.5	169.9	-102.3	177	179.9	169	0	111.7
440	K	37.6	Very low	40.7	Very low	200 Å²	200	155 Å²	155	87%	0.87	79%	0.786	S	S	*	*			trans	-65.1	148.1	162.8	-64	176.3	177.4	176.7	0	109
441	S	39.3	Very low	40.6	Very low	95 Å²	95	151.6 Å²	151.6	66%	0.664	79%	0.791	S	S	*	*				166.2	157.8	88.2	68.1	0	0	0	0	115.9
442	K	39.8	Very low	40.5	Very low	184 Å²	184	153.6 Å²	153.6	80%	0.8	80%	0.802	S	S	*	*			trans	66.5	132.4	142.8	-78.1	166.3	179.3	177.4	0	120.9
443	K	40.7	Very low	40.6	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	80%	0.8	S	S	*	*			trans	69.5	141	145.9	-75.2	-172.8	175	-174.5	0	116.1
444	S	43.1	Very low	40.9	Very low	85 Å²	85	153 Å²	153	59%	0.594	80%	0.799	S	S	*	*			cis	-173.8	-178.8	-2	51.5	0	0	0	0	111.9
445	K	42.8	Very low	40.9	Very low	178 Å²	178	158.2 Å²	158.2	77%	0.774	81%	0.813	S	S	*	*			trans	72.6	129.6	151	-71.8	169.5	178.4	177.8	0	118.9
446	K	41.6	Very low	41	Very low	190 Å²	190	156.2 Å²	156.2	83%	0.826	81%	0.812	S	S	*	*			trans	66.3	157.6	139.8	-74.7	-172.5	176.4	-175.2	0	118
447	K	43.6	Very low	41	Very low	171 Å²	171	160.9 Å²	160.9	74%	0.743	81%	0.813	S	S	*	*			cis	-177.7	142.4	-35.3	-123.6	-171.1	-178.5	-173.1	0	106
448	K	41.6	Very low	41.3	Very low	186 Å²	186	164.2 Å²	164.2	81%	0.809	81%	0.812	S	S	*	*			trans	64.8	165.4	168.8	-57.2	-177.4	173.9	-175.5	0	113.9
449	K	44.1	Very low	41.6	Very low	180 Å²	180	166.1 Å²	166.1	78%	0.783	81%	0.808	S	S	*	*			cis	-146.7	-179.3	-2.9	-143.1	-178.5	177.9	-169	0	109.6
450	K	42.4	Very low	41.7	Very low	188 Å²	188	165.4 Å²	165.4	82%	0.817	81%	0.805	S	S	*	*			trans	-31.6	151.3	160	-60	-172.5	171	-157.8	0	113.5
451	G	36.5	Very low	41.9	Very low	76 Å²	76	160.7 Å²	160.7	78%	0.784	80%	0.798	S	S	*	*			cis	138.8	159.1	8.7	0	0	0	0	0	109.2
452	E	44.1	Very low	42.1	Very low	207 Å²	207	166.4 Å²	166.4	97%	0.967	81%	0.81	S	S	*	*			trans	-146.1	126.8	179.7	-151	159.9	-171.4	0	0	109.8
453	E	45	Very low	42.2	Very low	188 Å²	188	160.8 Å²	160.8	88%	0.879	81%	0.805	S	S	*	*			trans	-162.6	135.3	-164.7	168.8	179.4	-129.1	0	0	104.3
454	G	41.3	Very low	42.3	Very low	70 Å²	70	157.9 Å²	157.9	72%	0.722	81%	0.81	S	S	*	*			cis	-151.1	-162.9	-5	0	0	0	0	0	110.7
455	E	41.4	Very low	42.3	Very low	202 Å²	202	157.2 Å²	157.2	94%	0.944	82%	0.816	S	S	*	*			trans	-87.1	135.8	169.5	-64.1	177.2	127.5	0	0	109.4
456	D	44.7	Very low	42.4	Very low	160 Å²	160	158.2 Å²	158.2	86%	0.856	82%	0.82	S	S	*	*			trans	-143.2	133.6	171.3	-154.7	-15.2	0	0	0	109.7
457	E	40.1	Very low	42.5	Very low	174 Å²	174	158.5 Å²	158.5	81%	0.813	82%	0.822	S	S	*	*			trans	-101.8	128.1	-174.3	-68.9	-170.4	116.3	0	0	111.1
458	K	42.2	Very low	42.5	Very low	190 Å²	190	154.9 Å²	154.9	83%	0.826	82%	0.818	S	S	*	*			trans	-162.5	130.7	137.7	-106.8	135.9	-161.9	158.4	0	116.1
459	E	42.4	Very low	42.8	Very low	158 Å²	158	155.6 Å²	155.6	74%	0.738	82%	0.821	S	S	*	*			trans	3.9	133.7	149.1	-50.3	-177.7	109.2	0	0	120.2
460	K	42.2	Very low	43	Very low	191 Å²	191	157 Å²	157	83%	0.83	83%	0.827	S	S	*	*				-171.1	107.5	103.6	-97.8	149.5	-171.2	167.7	0	114.4
461	S	41.9	Very low	43.2	Very low	102 Å²	102	153 Å²	153	71%	0.713	82%	0.823	S	S	*	*			trans	41.6	148.7	133.7	-60	0	0	0	0	123.9
462	K	43.6	Very low	43.8	Very low	214 Å²	214	159 Å²	159	93%	0.93	83%	0.828	S	S	*	*			trans	86.6	128.5	171.5	-51.3	168.6	-176.1	176.7	0	114.8
463	G	40.1	Very low	44	Very low	66 Å²	66	157.5 Å²	157.5	68%	0.68	82%	0.818	S	S	*	*			cis	171.4	163.2	-9.1	0	0	0	0	0	114.6
464	S	44	Very low	44.3	Very low	139 Å²	139	156.6 Å²	156.6	97%	0.972	81%	0.811	S	S	*	*			trans	71	153.4	176.8	83.8	0	0	0	0	117.5
465	G	41.8	Very low	44.7	Very low	71 Å²	71	162.3 Å²	162.3	73%	0.732	82%	0.816	S	S	*	*			trans	-177	-44.7	-178.6	0	0	0	0	0	118.2
466	K	45.6	Very low	44.9	Very low	199 Å²	199	162 Å²	162	87%	0.865	81%	0.812	S	S	*	*			trans	71.1	141.6	174.4	-60	176.8	175.8	172.2	0	119.2
467	K	44.2	Very low	45.1	Very low	196 Å²	196	163.8 Å²	163.8	85%	0.852	81%	0.812	S	S	*	*			trans	71.5	146	158.9	-66.9	170.1	-179.4	179.1	0	119.3
468	S	43.7	Very low	45.2	Very low	95 Å²	95	158 Å²	158	66%	0.664	80%	0.799	S	S	*	*			cis	-179.1	162.2	-29.6	51	0	0	0	0	111.2
469	K	47.1	Very low	45.5	Very low	201 Å²	201	157 Å²	157	87%	0.874	80%	0.797	S	S	*	*			trans	94.4	117.9	174.1	-59.3	-179.9	178.1	-178.8	0	114.9
470	K	49.1	Very low	45.7	Very low	209 Å²	209	158.1 Å²	158.1	91%	0.909	80%	0.802	S	S	*	*			cis	118.8	86.4	-1	-169.2	-173.9	179.8	176.8	0	115.1
471	S	47.3	Very low	45.8	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	80%	0.795	S	S	*	*			trans	-171.4	116.5	151.7	46.8	0	0	0	0	110.3
472	K	49.1	Very low	46.1	Very low	200 Å²	200	155.5 Å²	155.5	87%	0.87	80%	0.8	S	S	*	*				65.6	134.7	102	-65.3	177.2	178.8	178.5	0	113.6
473	K	47.4	Very low	46.3	Very low	177 Å²	177	152 Å²	152	77%	0.77	79%	0.791	S	S	*	*			cis	-166.4	136.1	25.4	-146.4	178.4	-179	-174.9	0	113.4
474	K	51.1	Low	46.6	Very low	168 Å²	168	155 Å²	155	73%	0.73	79%	0.787	S	S	*	*			trans	53.6	123.8	147.6	-69.6	-177.6	177.7	-170.9	0	122.1
475	K	49.8	Very low	46.8	Very low	190 Å²	190	155 Å²	155	83%	0.826	77%	0.769	S	S	*	*				76.6	146.4	102.5	-67.2	-167.7	172.8	-160.9	0	116
476	K	46	Very low	47	Very low	197 Å²	197	160.2 Å²	160.2	86%	0.857	78%	0.775	S	S	*	*			cis	-118.8	170.2	-4	-55.4	176.5	179.5	179.4	0	108.8
477	K	47.8	Very low	46.6	Very low	196 Å²	196	154.3 Å²	154.3	85%	0.852	77%	0.771	S	S	*	*			cis	81.4	127	25.6	-138.7	-172.6	-170.6	-82.1	0	116.8
478	G	43.4	Very low	46.7	Very low	52 Å²	52	150.7 Å²	150.7	54%	0.536	77%	0.77	S	S	.	*			trans	141	98.3	-173.7	0	0	0	0	0	106.9
479	E	49	Very low	46.8	Very low	169 Å²	169	156.5 Å²	156.5	79%	0.79	78%	0.783	S	S	*	*				76.2	112.2	85	-74.6	158	126.2	0	0	111.1
480	E	46	Very low	46.4	Very low	182 Å²	182	150.5 Å²	150.5	85%	0.85	78%	0.778	S	S	*	*			cis	94.7	144.2	30.6	-158.7	159.9	-130	0	0	112.5
481	G	43.4	Very low	46.2	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	77%	0.769	S	S	*	*			trans	96.5	101.3	-150.7	0	0	0	0	0	110.5
482	E	48	Very low	46.1	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	78%	0.778	S	S	*	*			cis	78.3	143.4	22.4	-142.6	164.7	-136.3	0	0	114
483	D	48.7	Very low	46	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	77%	0.77	S	S	*	*			trans	62.1	146.4	-179.7	-71.5	-4.7	0	0	0	119.8
484	E	47	Very low	46	Very low	130 Å²	130	148.6 Å²	148.6	61%	0.607	77%	0.77	S	S	*	*			cis	-153.4	170.9	-26	-131.7	-164.7	179.8	0	0	112.7
485	K	47.4	Very low	45.7	Very low	137 Å²	137	146.6 Å²	146.6	60%	0.596	78%	0.777	S	S	*	*			trans	20.2	133.3	154.3	-72.1	175.4	-166	127.7	0	123
486	E	45.5	Very low	45.5	Very low	182 Å²	182	147 Å²	147	85%	0.85	78%	0.779	S	S	*	*				56.3	134.2	127.9	-56.4	-179.6	112.2	0	0	121.9
487	G	38.5	Very low	45.5	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	78%	0.783	S	S	*	*			trans	170.9	110.2	165.2	0	0	0	0	0	116.6
488	S	45.4	Very low	45.2	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	78%	0.776	S	S	*	*			trans	33	101.3	153.2	-68.7	0	0	0	0	121.2
489	K	46.9	Very low	45.2	Very low	217 Å²	217	149.3 Å²	149.3	94%	0.943	79%	0.794	S	S	*	*				14.3	110.5	123	-63.9	172.1	-179.7	170.2	0	117.5
490	G	38.8	Very low	45.2	Very low	75 Å²	75	150.3 Å²	150.3	77%	0.773	80%	0.795	S	S	*	*			trans	109.5	126.4	131.7	0	0	0	0	0	119.6
491	S	43.9	Very low	45.1	Very low	103 Å²	103	151 Å²	151	72%	0.72	80%	0.795	S	S	*	*				-172	144	129.7	46.4	0	0	0	0	112.4	K493	S491-K493 PolarHBondContact O-N 3.38Å
492	K	45	Very low	45.3	Very low	212 Å²	212	157.1 Å²	157.1	92%	0.922	80%	0.803	S	S	*	*			trans	-71.9	120.6	-179.1	-64.2	170.8	-179.9	171.4	0	111.7
493	K	47.2	Very low	45.1	Very low	161 Å²	161	157.2 Å²	157.2	70%	0.7	80%	0.801	S	S	*	*			trans	-146.4	139.7	168.4	-75.2	173.6	-177.4	149.6	0	108.3	S491	S491-K493 PolarHBondContact O-N 3.38Å
494	K	46.7	Very low	44.7	Very low	176 Å²	176	153.8 Å²	153.8	77%	0.765	80%	0.799	S	S	*	*			cis	-155.6	128.4	-4.9	-98	155.6	-178.8	171.4	0	108.7
495	S	44.8	Very low	44.7	Very low	127 Å²	127	154.7 Å²	154.7	89%	0.888	80%	0.803	S	S	*	*			trans	-103.7	127	155.2	48.7	0	0	0	0	108.2
496	K	47	Very low	44.6	Very low	198 Å²	198	155.9 Å²	155.9	86%	0.861	81%	0.811	S	S	*	*			trans	-133.4	85.3	-166.7	-163.2	-178.4	-177.6	-174.5	0	113.7
497	K	44.6	Very low	44.6	Very low	215 Å²	215	155.6 Å²	155.6	94%	0.935	81%	0.809	S	S	*	*			trans	-144.5	135.2	159.3	-80.8	-176.5	175.8	177.6	0	107.6
498	G	41.4	Very low	45.1	Very low	69 Å²	69	156.7 Å²	156.7	71%	0.711	81%	0.811	S	S	*	*			cis	167.2	148.6	-11.4	0	0	0	0	0	113
499	K	45.1	Very low	45.3	Very low	209 Å²	209	157.7 Å²	157.7	91%	0.909	81%	0.807	S	S	*	*			trans	47.9	110	164.6	-61.6	-178.6	178.8	-179.8	0	118.7
500	K	47.6	Very low	45.3	Very low	191 Å²	191	153.6 Å²	153.6	83%	0.83	79%	0.791	S	S	*	*				-179.6	138.7	117.5	-104.6	165.1	-178.2	173.3	0	114.2
501	K	44.5	Very low	45.8	Very low	195 Å²	195	157.7 Å²	157.7	85%	0.848	79%	0.788	S	S	*	*			trans	65.2	163.8	159.8	-62.7	175.3	178.7	-175.8	0	116.4
502	K	46.9	Very low	46.1	Very low	195 Å²	195	162 Å²	162	85%	0.848	80%	0.797	S	S	*	*			cis	-172.4	157.6	-36.2	-167.2	-177.9	180	-164.4	0	106
503	K	45.2	Very low	45.9	Very low	175 Å²	175	155 Å²	155	76%	0.761	79%	0.785	S	S	*	*			trans	78.5	143	-164.1	-62.3	178.3	133.9	-126.7	0	112.6	E505	K503-E505 IonicContact NZ-OE1 3.05Å; K503-E505 PolarHBondContact NZ-OE1 3.1Å
504	G	39.3	Very low	45.9	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	79%	0.785	S	S	*	*			cis	110.6	85.2	-16.5	0	0	0	0	0	115.8
505	E	47.5	Very low	46	Very low	149 Å²	149	153.2 Å²	153.2	70%	0.696	79%	0.79	S	S	*	*			trans	-164.2	142.9	171.8	-89.6	127.2	-153	0	0	102.2	K503	K503-E505 IonicContact NZ-OE1 3.05Å; K503-E505 PolarHBondContact NZ-OE1 3.1Å
506	E	45.2	Very low	45.8	Very low	162 Å²	162	150.9 Å²	150.9	76%	0.757	79%	0.785	S	S	*	*			cis	-137.8	136.9	-2.9	-90.4	155.6	146.1	0	0	106.9
507	E	46.1	Very low	45.5	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	79%	0.785	S	S	*	*				75.9	149.2	104.2	-62.3	-161.1	144	0	0	116.9
508	A	48	Very low	45.5	Very low	98 Å²	98	146.9 Å²	146.9	81%	0.81	78%	0.783	S	S	*	*			trans	59.5	136.7	165	0	0	0	0	0	118.7
509	D	48.8	Very low	45.8	Very low	140 Å²	140	152.7 Å²	152.7	75%	0.749	79%	0.789	S	S	*	*			cis	-158.2	171.8	-12.8	-147.3	-18.9	0	0	0	110.4
510	E	48.7	Very low	46	Very low	131 Å²	131	152.4 Å²	152.4	61%	0.612	79%	0.788	S	S	*	*			trans	46.9	137.8	158.1	-52.8	-147.4	151.8	0	0	120.9
511	K	49.1	Very low	46	Very low	162 Å²	162	148.2 Å²	148.2	70%	0.704	78%	0.783	S	S	*	*			cis	-153.9	168.6	-2.7	-123.7	168.2	-167.5	145.6	0	111.5
512	E	48.8	Very low	46.3	Very low	192 Å²	192	148.3 Å²	148.3	90%	0.897	78%	0.783	S	S	*	*			trans	-66.5	163.9	-178.4	-59.2	178.1	101.5	0	0	113.9
513	G	42.7	Very low	46.4	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	78%	0.782	S	S	*	*			cis	157	-146.4	-1.4	0	0	0	0	0	112.4
514	S	45.6	Very low	46.7	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	78%	0.777	S	S	*	*			trans	68.8	111.4	-178	-68.9	0	0	0	0	116.2
515	K	48.5	Very low	47.2	Very low	200 Å²	200	150.1 Å²	150.1	87%	0.87	78%	0.783	S	S	*	*				64.5	119.3	87.8	-63	158.1	-169	162.2	0	111.9
516	G	41.8	Very low	47.5	Very low	77 Å²	77	151.4 Å²	151.4	79%	0.794	79%	0.786	S	S	*	*			cis	101.9	95.7	10.8	0	0	0	0	0	111.6
517	S	40.1	Very low	47.6	Very low	122 Å²	122	152.7 Å²	152.7	85%	0.853	79%	0.79	S	S	*	*			trans	-157.8	131.7	-180	51.6	0	0	0	0	112.4
518	K	45.1	Very low	47.7	Very low	207 Å²	207	154.2 Å²	154.2	90%	0.9	79%	0.793	S	S	*	*			trans	-153.2	56.4	174.4	-151.1	175.7	-172.8	177.5	0	114.9
519	K	46.6	Very low	47.7	Very low	192 Å²	192	158.2 Å²	158.2	84%	0.835	79%	0.793	S	S	*	*	S	Bend	trans	-172.5	133.3	153	-109.8	162.9	-176.6	178.3	0	112.8
520	K	49.5	Very low	47.5	Very low	202 Å²	202	155 Å²	155	88%	0.878	79%	0.792	S	S	*	*			trans	60	130.5	162.7	-57.7	-179.5	177.2	-175.6	0	116.5
521	S	48.5	Very low	47.5	Very low	103 Å²	103	156.8 Å²	156.8	72%	0.72	80%	0.798	S	S	*	*			cis	-169.4	171.1	1.6	62.5	0	0	0	0	113.5
522	K	49.5	Very low	47.3	Very low	197 Å²	197	153.7 Å²	153.7	86%	0.857	79%	0.786	S	S	*	*			trans	73.5	109.1	157.5	-71.3	178.7	177	176.3	0	123.1
523	K	50.5	Low	47.1	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	77%	0.772	S	S	*	*				98.9	78.6	115.7	-155.1	176.7	179.5	-173.8	0	124.5
524	S	50.9	Low	47.3	Very low	92 Å²	92	152.3 Å²	152.3	64%	0.643	78%	0.778	S	S	*	*				82	146.7	123.3	81.7	0	0	0	0	126.4
525	K	50.7	Low	47.6	Very low	193 Å²	193	154.9 Å²	154.9	84%	0.839	78%	0.784	S	S	*	*			trans	76.3	151	153.1	-75.3	170.3	-178.8	176.9	0	118.7
526	K	52.2	Low	47.4	Very low	175 Å²	175	152 Å²	152	76%	0.761	77%	0.773	S	S	*	*			cis	-171.9	122.4	-4.7	162.8	-169	174.6	-167.4	0	115.9
527	K	48.8	Very low	47.8	Very low	189 Å²	189	155.4 Å²	155.4	82%	0.822	77%	0.766	S	S	*	*			trans	65.2	152.8	145.2	-67.3	-172.8	175.4	-170.7	0	126.4
528	K	47.5	Very low	48.1	Very low	208 Å²	208	158.3 Å²	158.3	90%	0.904	77%	0.766	S	S	*	*			trans	101.4	157	150.2	-77.3	-170.1	174.9	-175.3	0	119.6
529	K	46.8	Very low	48	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.796	76%	0.761	S	S	*	*				-175.9	138.7	-62.1	179	-177.8	-175.5	-142.8	0	110.8	E532	K529-E532 WeakPolarHBondContact CE-OE1 3.35Å; K529-E532 IonicContact NZ-OE1 2.8Å; K529-E532 PolarHBondContact NZ-OE1 2.73Å
530	G	45.6	Very low	48	Very low	72 Å²	72	148.4 Å²	148.4	74%	0.742	76%	0.759	S	S	*	*			trans	150.9	140.8	160.2	0	0	0	0	0	111.9
531	K	48.1	Very low	47.9	Very low	168 Å²	168	148.6 Å²	148.6	73%	0.73	76%	0.76	S	S	*	*			cis	-133.3	-150.8	0.3	-150.1	-137.4	150.7	-71.1	0	111.7
532	E	45.2	Very low	47.5	Very low	97 Å²	97	147.1 Å²	147.1	45%	0.453	76%	0.761	S	S	.	*			trans	-151.3	146.7	-173.9	-42	80.7	-175.8	0	0	112	K529	K529-E532 WeakPolarHBondContact CE-OE1 3.35Å; K529-E532 IonicContact NZ-OE1 2.8Å; K529-E532 PolarHBondContact NZ-OE1 2.73Å
533	G	44	Very low	47.3	Very low	58 Å²	58	143.3 Å²	143.3	60%	0.598	76%	0.759	S	S	*	*			trans	135	124.3	172.8	0	0	0	0	0	114.1
534	E	48.7	Very low	46.9	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	75%	0.746	S	S	*	*			cis	82.9	134.7	11.5	-53.7	95.7	-110.4	0	0	117.7
535	D	50.2	Low	46.7	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	74%	0.738	S	S	*	*			cis	-141.2	-108.6	-7.8	-160.3	45.3	0	0	0	116.5
536	E	45.6	Very low	46.4	Very low	140 Å²	140	137.1 Å²	137.1	65%	0.654	72%	0.721	S	S	*	*			cis	-158.4	-74.3	6.3	-144.8	-160.1	-174	0	0	120.3
537	K	49.2	Very low	46	Very low	148 Å²	148	131.7 Å²	131.7	64%	0.643	71%	0.705	S	S	*	*			trans	-134.4	166.1	-154.2	-68.5	-168.2	-171.6	104.3	0	119.2
538	E	47.9	Very low	45.9	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	70%	0.703	S	S	*	*			cis	-164.8	172.5	-17.2	-110	-168.8	128.1	0	0	112.4
539	G	42.6	Very low	45.9	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	69%	0.694	S	S	*	*			trans	151.4	142.4	162.4	0	0	0	0	0	117.4
540	S	46	Very low	45.9	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	70%	0.699	S	S	*	*			trans	-164.1	168.1	-171.8	-163.3	0	0	0	0	118.3
541	K	47.3	Very low	45.9	Very low	206 Å²	206	134.2 Å²	134.2	90%	0.896	71%	0.709	S	S	*	*			trans	80.9	145.5	170.9	-49.5	156.8	-173.1	168.8	0	116.7
542	G	40.8	Very low	45.9	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	71%	0.714	S	S	*	*			cis	161.8	157.9	-14	0	0	0	0	0	115.6
543	S	44.6	Very low	46	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	73%	0.733	S	S	*	*			trans	73.6	164.8	166.3	-83	0	0	0	0	120.4
544	K	43.3	Very low	45.8	Very low	127 Å²	127	146.9 Å²	146.9	55%	0.552	75%	0.746	S	S	*	*			cis	-175.6	148.7	-40.3	-113.8	-173.1	-164.3	-168.7	0	113.3	E397	E397-K544 WeakPolarHBondContact O-CE 3.4Å; E397-K544 PolarHBondContact O-NZ 2.6Å
545	K	45.1	Very low	45.7	Very low	112 Å²	112	148.8 Å²	148.8	49%	0.487	75%	0.751	S	S	.	*			trans	75	176.3	153.3	-52.9	145.5	-175.7	-153.9	0	121.2	E398 G399	E398-K545 WeakPolarHBondContact O-CE 3.42Å; E398-K545 PolarHBondContact O-NZ 3.48Å; G399-K545 VanDerWaalsContact O-CD 3.28Å; G399-K545 WeakPolarHBondContact O-CD 3.26Å; G399-K545 PolarHBondContact O-NZ 2.6Å
546	K	45.8	Very low	45.3	Very low	108 Å²	108	144.7 Å²	144.7	47%	0.47	75%	0.745	S	S	.	*				-178.6	165.4	-58.2	175.5	168.6	151.8	-83.9	0	111.4	E398 E400	E398-K546 IonicContact OE1-NZ 2.73Å; E398-K546 PolarHBondContact OE1-NZ 3.24Å; E400-K546 VanDerWaalsContact CD-CG 3.44Å; E400-K546 HydrophobicContact CG-CB 3.86Å; E400-K546 HydrophobicContact CG-CG 4.25Å; E400-K546 WeakPolarHBondContact CG-O 3.44Å; E400-K546 WeakPolarHBondContact OE1-CG 3.43Å; E400-K546 IonicContact OE1-NZ 2.67Å; E400-K546 PolarHBondContact OE1-NZ 3.48Å; E400-K546 VanDerWaalsContact OE2-CB 3.31Å; E400-K546 WeakPolarHBondContact OE2-CB 3.45Å; E400-K546 WeakPolarHBondContact OE2-CD 3.39Å; E400-K546 WeakPolarHBondContact OE2-CE 3.46Å; E400-K546 VanDerWaalsContact OE2-CG 3.25Å; E400-K546 WeakPolarHBondContact OE2-CG 3.28Å; E400-K546 IonicContact OE2-NZ 3.07Å; E400-K546 PolarHBondContact OE2-NZ 3.33Å
547	S	43.3	Very low	45.3	Very low	62 Å²	62	146.1 Å²	146.1	43%	0.434	76%	0.758	S	S	.	*			trans	74.9	-180	164.9	-67.3	0	0	0	0	122.7	E400 E401	E400-S547 WeakPolarHBondContact OE1-CB 3.37Å; E400-S547 PolarHBondContact OE1-OG 3.38Å; E401-S547 VanDerWaalsContact OE2-C 3.29Å; E401-S547 WeakPolarHBondContact OE2-CB 3.41Å
548	K	45.8	Very low	45	Very low	177 Å²	177	142.8 Å²	142.8	77%	0.77	77%	0.765	S	S	*	*				-174.6	114.7	-92.2	158.4	-136.6	-179.1	-171.8	0	116.7	E401	E401-K548 PolarHBondContact OE2-N 3.29Å
549	S	47.7	Very low	44.9	Very low	105 Å²	105	141.2 Å²	141.2	73%	0.734	76%	0.763	S	S	*	*			trans	-158.1	131.4	160.1	64.9	0	0	0	0	112.7
550	K	46.8	Very low	45.1	Very low	204 Å²	204	145.7 Å²	145.7	89%	0.887	76%	0.763	S	S	*	*				59.6	101.1	83.3	-74.9	-174.2	177	177.2	0	118
551	K	45.5	Very low	45	Very low	219 Å²	219	150 Å²	150	95%	0.952	77%	0.767	S	S	*	*			trans	-156.4	162.2	135.1	-136.4	161.7	-174.3	169.7	0	114.8
552	K	49.3	Very low	44.8	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	77%	0.767	S	S	*	*			trans	-94.2	150.1	-168	-46	167.7	-178.5	178.5	0	112.5
553	K	47.3	Very low	45.2	Very low	200 Å²	200	151.1 Å²	151.1	87%	0.87	77%	0.769	S	S	*	*				168.4	125.5	109.3	-96.5	-177.2	175.8	-179.6	0	116.6
554	K	39.3	Very low	45.3	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.857	77%	0.77	S	S	*	*				46.3	106.3	126.8	-167.3	174.5	-176.2	174.7	0	121.3
555	K	46	Very low	45	Very low	212 Å²	212	158.8 Å²	158.8	92%	0.922	79%	0.788	S	S	*	*			trans	169.4	146.1	138.6	-96.6	176.3	-179.7	-172.2	0	107.2
556	G	42.8	Very low	45	Very low	68 Å²	68	158.7 Å²	158.7	70%	0.701	80%	0.801	S	S	*	*			cis	-171.8	164.5	-7.2	0	0	0	0	0	109.1
557	D	44.1	Very low	44.9	Very low	171 Å²	171	159.5 Å²	159.5	91%	0.914	82%	0.82	S	S	*	*			trans	-73.1	162.1	-167.5	-49.4	-91.6	0	0	0	114.3
558	G	44.1	Very low	45	Very low	77 Å²	77	160.4 Å²	160.4	79%	0.794	84%	0.839	S	S	*	*			trans	176.7	64.8	-171.1	0	0	0	0	0	117
559	D	45	Very low	44.9	Very low	151 Å²	151	157 Å²	157	81%	0.807	84%	0.838	S	S	*	*			trans	-49	166.3	159.5	-72.7	-75.7	0	0	0	114.5
560	E	47.1	Very low	44.9	Very low	169 Å²	169	161.1 Å²	161.1	79%	0.79	84%	0.843	S	S	*	*			cis	-166.4	146.7	-15.4	166.9	-173.3	-138.1	0	0	105.4
561	K	44	Very low	45.1	Very low	205 Å²	205	161 Å²	161	89%	0.891	84%	0.842	S	S	*	*			trans	-170.9	97.2	169.3	-118.4	161.9	-172.5	166.9	0	116.3
562	E	44.1	Very low	45	Very low	191 Å²	191	160.8 Å²	160.8	89%	0.893	84%	0.841	S	S	*	*			trans	-171.7	113.5	140.3	-116.3	-159.1	122.4	0	0	114.2
563	S	47.6	Very low	45	Very low	111 Å²	111	157 Å²	157	78%	0.776	84%	0.839	S	S	*	*			trans	-164.9	123.8	147.4	43.7	0	0	0	0	115.6
564	K	46.5	Very low	44.8	Very low	193 Å²	193	157.6 Å²	157.6	84%	0.839	84%	0.841	S	S	*	*			trans	14.3	119	139.2	-56.7	146.7	-171.9	172.6	0	117.3
565	K	39	Very low	45.3	Very low	212 Å²	212	158.5 Å²	158.5	92%	0.922	85%	0.845	S	S	*	*				62.1	97.5	72.6	-81.5	-170.2	172.9	177.3	0	117
566	S	44.7	Very low	45.3	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	84%	0.836	S	S	*	*			trans	-165.5	105.7	150.7	42.4	0	0	0	0	109.4
567	S	44.1	Very low	45.8	Very low	126 Å²	126	155.6 Å²	155.6	88%	0.881	84%	0.841	S	S	*	*				62.7	101.1	99.5	68.6	0	0	0	0	116.4
568	G	44.3	Very low	46	Very low	81 Å²	81	156.6 Å²	156.6	84%	0.835	84%	0.837	S	S	*	*			trans	-129.6	150.4	167.5	0	0	0	0	0	111.3
569	S	44.6	Very low	45.9	Very low	106 Å²	106	162.7 Å²	162.7	74%	0.741	84%	0.842	S	S	*	*			trans	-143.2	-173.9	-165.7	68.5	0	0	0	0	113.6
570	K	47.8	Very low	46.3	Very low	191 Å²	191	165.1 Å²	165.1	83%	0.83	85%	0.845	S	S	*	*			trans	78	157.2	-174.5	-49.8	162.5	-175.9	172.2	0	112.3
571	K	49.3	Very low	46.1	Very low	201 Å²	201	162.8 Å²	162.8	87%	0.874	85%	0.847	S	S	*	*			cis	-148.9	154.4	1.7	-142.7	170.8	-176	-178.7	0	109.1
572	K	43.7	Very low	46.4	Very low	215 Å²	215	159 Å²	159	94%	0.935	85%	0.847	S	S	*	*			trans	-148.3	132.5	168.7	-89.5	-169.5	177.7	178.2	0	112.6
573	S	50	Low	46.3	Very low	112 Å²	112	160.1 Å²	160.1	78%	0.783	85%	0.849	S	S	*	*			trans	-134.7	130.6	164.2	39	0	0	0	0	107
574	K	42.6	Very low	46.1	Very low	211 Å²	211	158.6 Å²	158.6	92%	0.917	85%	0.851	S	S	*	*				57.7	90.6	69.5	-81.8	-166.1	174.3	-176.2	0	113.5
575	K	50.1	Low	46.4	Very low	216 Å²	216	155 Å²	155	94%	0.939	85%	0.85	S	S	*	*			trans	-148.8	167.9	134.6	-138.2	168.4	-175.3	176.5	0	109.6
576	S	46.6	Very low	47.1	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	85%	0.847	S	S	*	*			trans	-130.9	-169.4	-156.4	55.5	0	0	0	0	112.8
577	S	51.8	Low	47.3	Very low	114 Å²	114	159 Å²	159	80%	0.797	85%	0.854	S	S	*	*			trans	75.9	160.4	178.8	89.6	0	0	0	0	115.3
578	K	49.3	Very low	47.7	Very low	192 Å²	192	163.2 Å²	163.2	84%	0.835	86%	0.856	S	S	*	*			cis	-140.1	140.9	-7.2	-152.7	164.1	-176.7	171.4	0	109.6
579	K	41.6	Very low	47.7	Very low	206 Å²	206	169 Å²	169	90%	0.896	86%	0.858	S	S	*	*			trans	-86.8	124	176.6	-177	-175.6	179.5	-172.2	0	108.6
580	K	53.5	Low	48.4	Very low	201 Å²	201	172 Å²	172	87%	0.874	86%	0.858	S	S	*	*			trans	-135.4	145.8	163.2	-90.5	-160.4	172.5	-170.2	0	110.4
581	S	43.9	Very low	48.7	Very low	120 Å²	120	173.7 Å²	173.7	84%	0.839	87%	0.869	S	S	*	*			trans	-115.1	140.3	-178.5	46.6	0	0	0	0	110.1
582	S	49.4	Very low	48.7	Very low	126 Å²	126	172.4 Å²	172.4	88%	0.881	87%	0.869	S	S	*	*			trans	-142.5	130	156.6	47.5	0	0	0	0	107.9
583	K	42.2	Very low	48.9	Very low	214 Å²	214	170.1 Å²	170.1	93%	0.93	87%	0.865	S	S	*	*			trans	-140.1	119.8	-176.1	-171.6	-173.6	-177.1	-170.6	0	107.6
584	G	43.9	Very low	48.9	Very low	80 Å²	80	173.3 Å²	173.3	83%	0.825	87%	0.87	S	S	*	*			trans	111	115.4	168.6	0	0	0	0	0	115.5
585	S	53.1	Low	49.2	Very low	116 Å²	116	171.1 Å²	171.1	81%	0.811	87%	0.867	S	S	*	*			trans	-149	121.9	141.2	39.5	0	0	0	0	109.9
586	K	53.3	Low	49.2	Very low	201 Å²	201	168.3 Å²	168.3	87%	0.874	86%	0.862	S	S	*	*			trans	12.5	119.3	146.8	-56.8	169.7	-176.5	179.1	0	115.5
587	K	48	Very low	49.4	Very low	205 Å²	205	172.5 Å²	172.5	89%	0.891	87%	0.871	S	S	*	*				54.9	89.1	56.3	-165.4	-172.2	179.6	-176.6	0	112.6
588	K	52.9	Low	49.2	Very low	215 Å²	215	176.7 Å²	176.7	94%	0.935	88%	0.876	S	S	*	*			trans	-143.7	125.7	145.8	-114.9	-177.2	179.6	-174.4	0	109.1
589	K	44.3	Very low	49.2	Very low	202 Å²	202	175.5 Å²	175.5	88%	0.878	88%	0.879	S	S	*	*			trans	-114.1	135.7	165	176.4	-170.4	177.6	-170	0	104.5
590	K	59.9	Low	49.8	Very low	168 Å²	168	173 Å²	173	73%	0.73	88%	0.878	S	S	*	*			trans	-138.7	169.4	160.9	-123.1	-156.7	160.7	-79	0	108
591	E	53.5	Low	49.5	Very low	228 Å²	228	170.5 Å²	170.5	100%	1.065	88%	0.878	S	S	*	*			trans	-53.8	0	175.3	-56.7	100.2	124.4	0	0	112.8

Retrieved 591 of 591 residues in 213.7 ms (Link to these results)

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