A0A077Z7J9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,351 aa.

						>A0A077Z7J9_TRITR|A0A077Z7J9
MPAILLVLLLLLLLIAYHRQQSAEGKEGIPVVQELLAHLDQACGTDLAGKPEAKASAVEGEKETKNVAAEGAQGEQASKEVPAAAGAEEKKAEAEDKEKTKAGLEQSAETKKGSKKKKKKKSKKSKSKKVESESKGAAAPTAEGAAPEVAKPSKKTKKKKKKTKSKSKGAPSAEEGAKPAEGVTAAPPEGAAAPTPAEPPKEGAEKPATVSKKGKKTKKKKKKSKKAVPTEGSPPAEAAPAAPPAEGAPPAEGAPAAPPAEGAAPAEPPKEGAEAAAAAAKPSKKTKKKKKKKSKKSTKEKPAEPAPPAEGAAPPAEGAAPAPPAEGAPAAPPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKEKPVEPAPPAEGAAPPAEGATPAPPAEGAAPAPPAEGAAPAPPAEGAPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKEKPAEPAPAAEGAAPPAEGAAAAPPAEGAPAAPPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKEKPAEAAPPAEGAAPPAEGAAAAPPAEGAPAAAPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKEKPVEQAPPAEGAAPPAEGAAPAPPAEGAAPAAPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKETPAEAAPPAEGAAPPAEGAAAAPPAEGAPAAPPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKETPAEAAPPAEGAAPPAEGAAAAPPAEGAPAPPAAESPAPGQEAELPMKTPPPDTALTEGAATLSKSKKKTKKKKKSEKVAAAAAGQETAKSTKKTKKTKKKKKSKKSKIAEAAPAAEGAAPPAEGAPAAPPAEGAPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKVAEAAPAAEGAAPPAEGAPAAPPAEGAAPAEPPKEGAETAAAKPSKKTKKKKKKKSKKSKKETPAEAAPPAEGAAPPAEGAAAALPAEGAPAEGAPAAPPAEGAAPAEPPKEGAPSAAKSSKKTKKKKKKKSKKAKPSETVAPGEGAPAPAESALPAPTAEGAPSAPPAEGAAPAEPPKEGAETAAAAAAKPSKKTKKKKKKKSKKSKVADAAPPAEGAAPPAEGAPAAEGAPSAPPAEGAAPAEPPKEGAEAAKPSKKTKKKKKKKSKKGKPSEAVPAAEGAAPPAEGAPAAEGAPAAPPAEGAAPAEPPKEGAEGAAAPSKKTKKKKKKKSKKSKKTAAAEGAAPAEGAPAAPAEGGAAAPPAEGEPPKEGEAGAASAKKTKKKKKTKKKSKKAPLAEVAGDDPTGEKKAVAADGPPSPAVPTKKKGKAKRNK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	90.4	Very high	95.9	Very high	174 Å²	174	104.4 Å²	104.4	86%	0.857	58%	0.579	S	S	*	*				0	-67.2	0	-55.8	-29.3	-152.5	0	0	113.7	A3 I4 L5	M1-A3 PolarHBondContact O-N 3.18Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-I4 WeakPolarHBondContact O-CB 3.1Å; M1-I4 PolarHBondContact O-N 2.67Å; M1-L5 PolarHBondContact O-N 2.64Å
2	P	95.3	Very high	96	Very high	98 Å²	98	105.1 Å²	105.1	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-58	-40.7	-162.6	19.9	-33.4	0	0	0	115.2	I4 L5 L6	P2-I4 VanDerWaalsContact C-N 3.25Å; P2-I4 PolarHBondContact O-N 2.67Å; P2-L5 PolarHBondContact O-N 3.34Å; P2-L6 WeakPolarHBondContact O-CG 3.1Å; P2-L6 PolarHBondContact O-N 2.91Å
3	A	95.5	Very high	96.1	Very high	73 Å²	73	105.9 Å²	105.9	60%	0.603	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-24.4	176.8	0	0	0	0	0	114.3	M1 V7	M1-A3 PolarHBondContact O-N 3.18Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.46Å
4	I	96	Very high	96.1	Very high	110 Å²	110	102.9 Å²	102.9	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-80.9	-43.8	176	-59.1	174.3	0	0	0	109.4	M1 P2 L6 V7 L8	M1-I4 WeakPolarHBondContact O-CB 3.1Å; M1-I4 PolarHBondContact O-N 2.67Å; P2-I4 VanDerWaalsContact C-N 3.25Å; P2-I4 PolarHBondContact O-N 2.67Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 2.77Å; I4-V7 PolarHBondContact O-N 3.2Å; I4-V7 VanDerWaalsContact O-N 3.09Å; I4-L8 HydrophobicContact CG2-CD1 4.13Å; I4-L8 HydrophobicContact CG2-CG 4.45Å; I4-L8 WeakPolarHBondContact O-CG 3.03Å; I4-L8 PolarHBondContact O-N 2.64Å
5	L	96.9	Very high	96.1	Very high	111 Å²	111	98.2 Å²	98.2	58%	0.581	54%	0.538	S	S	*	.	H	α-helix	trans	-59	-42.2	175.5	-64	174.3	0	0	0	111.6	M1 P2 V7 L8 L9	M1-L5 PolarHBondContact O-N 2.64Å; P2-L5 PolarHBondContact O-N 3.34Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.25Å; L5-L9 WeakPolarHBondContact O-CB 2.93Å; L5-L9 PolarHBondContact O-N 2.79Å
6	L	97.4	Very high	96.1	Very high	117 Å²	117	95.6 Å²	95.6	61%	0.613	53%	0.534	S	S	*	.	H	α-helix	trans	-61.8	-36.5	174	-74.7	170.1	0	0	0	113.2	P2 I4 L10	P2-L6 WeakPolarHBondContact O-CG 3.1Å; P2-L6 PolarHBondContact O-N 2.91Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 2.77Å; L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 PolarHBondContact O-N 2.72Å
7	V	96.5	Very high	96.2	Very high	99 Å²	99	96.5 Å²	96.5	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-72	-40	176.6	168.4	0	0	0	0	111.4	A3 I4 L5 L10 L11	A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.46Å; I4-V7 PolarHBondContact O-N 3.2Å; I4-V7 VanDerWaalsContact O-N 3.09Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.3Å; V7-L10 PolarHBondContact O-N 3.04Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 PolarHBondContact O-N 3.38Å
8	L	96.5	Very high	96.1	Very high	90 Å²	90	92.4 Å²	92.4	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-43.8	175.2	-69.3	171.3	0	0	0	111.6	I4 L5 L10 L11 L12	I4-L8 HydrophobicContact CG2-CD1 4.13Å; I4-L8 HydrophobicContact CG2-CG 4.45Å; I4-L8 WeakPolarHBondContact O-CG 3.03Å; I4-L8 PolarHBondContact O-N 2.64Å; L5-L8 PolarHBondContact O-N 3.25Å; L8-L10 PolarHBondContact O-N 2.67Å; L8-L11 PolarHBondContact O-N 3.19Å; L8-L12 WeakPolarHBondContact O-CG 3.06Å; L8-L12 PolarHBondContact O-N 3.32Å
9	L	97.3	Very high	96	Very high	103 Å²	103	96.7 Å²	96.7	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-43	175.8	-172.7	67.9	0	0	0	111.7	L5 L11 L12 L13	L5-L9 WeakPolarHBondContact O-CB 2.93Å; L5-L9 PolarHBondContact O-N 2.79Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.22Å; L9-L12 PolarHBondContact O-N 2.91Å; L9-L13 PolarHBondContact O-N 2.96Å
10	L	97.1	Very high	96	Very high	129 Å²	129	97.1 Å²	97.1	68%	0.675	51%	0.511	S	S	*	.	H	α-helix	trans	-65.1	-36.1	176.9	-152.1	84	0	0	0	112.2	L6 V7 L8 L14	L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 PolarHBondContact O-N 2.72Å; V7-L10 PolarHBondContact O-N 3.04Å; L8-L10 PolarHBondContact O-N 2.67Å; L10-L14 WeakPolarHBondContact O-CB 2.86Å; L10-L14 PolarHBondContact O-N 2.75Å; L10-L14 VanDerWaalsContact O-N 3.08Å
11	L	96.6	Very high	95.9	Very high	44 Å²	44	94 Å²	94	23%	0.23	49%	0.494	C	S	.	.	H	α-helix	trans	-69.2	-42.1	176.3	-176.3	63.8	0	0	0	111.7	V7 L8 L9 L14 I15 L39	V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 3.19Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 2.65Å; L11-I15 HydrophobicContact CD1-CD1 4.44Å; L11-I15 HydrophobicContact CG-CD1 4.12Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 2.75Å; L11-L39 HydrophobicContact CD2-CD1 4.01Å; L11-L39 HydrophobicContact CD2-CD2 4.05Å
12	L	96.9	Very high	96	Very high	113 Å²	113	88.6 Å²	88.6	59%	0.592	47%	0.473	S	S	*	.	H	α-helix	trans	-61.1	-44.6	174.1	-73	168.5	0	0	0	111.5	L8 L9 L14 I15 A16	L8-L12 WeakPolarHBondContact O-CG 3.06Å; L8-L12 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 2.91Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.11Å; L12-I15 PolarHBondContact O-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.12Å; L12-A16 PolarHBondContact O-N 2.88Å
13	L	97.4	Very high	95.9	Very high	116 Å²	116	88.2 Å²	88.2	61%	0.607	48%	0.478	S	S	*	.	H	α-helix	trans	-58.4	-41.3	174	-122.8	76.2	0	0	0	112.1	L9 A16 Y17	L9-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 2.87Å; L13-Y17 WeakPolarHBondContact O-CB 3.16Å; L13-Y17 PolarHBondContact O-N 3.02Å
14	L	96.3	Very high	95.9	Very high	63 Å²	63	88.6 Å²	88.6	33%	0.33	47%	0.468	S	S	.	.	H	α-helix	trans	-69.9	-35.7	-179.2	-166.6	67.5	0	0	0	112.4	L10 L11 L12 H18 V32 L35	L10-L14 WeakPolarHBondContact O-CB 2.86Å; L10-L14 PolarHBondContact O-N 2.75Å; L10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 2.65Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.11Å; L14-H18 WeakPolarHBondContact O-CB 3.09Å; L14-H18 PolarHBondContact O-N 2.74Å; L14-V32 HydrophobicContact CD1-CG2 4.1Å; L14-V32 HydrophobicContact CD2-CG2 3.9Å; L14-V32 HydrophobicContact CG-CG1 4.36Å; L14-V32 HydrophobicContact CG-CG2 3.7Å; L14-L35 HydrophobicContact CD2-CD1 4.28Å
15	I	96.1	Very high	95.8	Very high	33 Å²	33	86.7 Å²	86.7	17%	0.169	48%	0.475	C	S	.	.	H	α-helix	trans	-69.3	-42.8	173.4	-68	165.8	0	0	0	110.7	L11 L12 H18 R19 L36	L11-I15 HydrophobicContact CD1-CD1 4.44Å; L11-I15 HydrophobicContact CG-CD1 4.12Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 2.75Å; L12-I15 PolarHBondContact O-N 3.33Å; I15-H18 PolarHBondContact O-N 2.9Å; I15-R19 PolarHBondContact O-N 2.98Å; I15-L36 HydrophobicContact CD1-CD1 4.32Å
16	A	96.2	Very high	95.6	Very high	57 Å²	57	86.5 Å²	86.5	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-60.4	-47.1	174.9	0	0	0	0	0	111.3	L12 L13 H18 R19 Q20	L12-A16 WeakPolarHBondContact O-CB 3.12Å; L12-A16 PolarHBondContact O-N 2.88Å; L13-A16 PolarHBondContact O-N 2.87Å; A16-H18 PolarHBondContact O-N 3.14Å; A16-R19 PolarHBondContact O-N 2.91Å; A16-R19 VanDerWaalsContact O-N 3.17Å; A16-Q20 PolarHBondContact O-N 2.89Å
17	Y	96.4	Very high	95.1	Very high	110 Å²	110	90.5 Å²	90.5	43%	0.431	49%	0.485	S	S	.	.	H	α-helix	trans	-60.6	-41.1	175.5	-175	-101.1	0	0	0	112.5	L13 Q20 Q21 I29	L13-Y17 WeakPolarHBondContact O-CB 3.16Å; L13-Y17 PolarHBondContact O-N 3.02Å; Y17-Q20 PolarHBondContact O-N 2.83Å; Y17-Q21 HydrophobicContact CD1-CG 4.15Å; Y17-Q21 HydrophobicContact CE1-CG 3.8Å; Y17-Q21 WeakPolarHBondContact O-CG 3.37Å; Y17-Q21 PolarHBondContact O-N 2.59Å; Y17-I29 HydrophobicContact CD1-CD1 4.45Å; Y17-I29 HydrophobicContact CE1-CD1 4.09Å
18	H	95.5	Very high	94.7	Very high	24 Å²	24	86.1 Å²	86.1	11%	0.111	46%	0.46	C	S	.	.	H	α-helix	trans	-66	-38.4	174.8	-176.7	-74.9	0	0	0	112.3	L14 I15 A16 Q21 S22 G28 V32 Q33	L14-H18 WeakPolarHBondContact O-CB 3.09Å; L14-H18 PolarHBondContact O-N 2.74Å; I15-H18 PolarHBondContact O-N 2.9Å; A16-H18 PolarHBondContact O-N 3.14Å; H18-Q21 PolarHBondContact O-N 2.87Å; H18-S22 PolarHBondContact CE1-OG 3.04Å; H18-S22 PolarHBondContact ND1-OG 2.76Å; H18-S22 WeakPolarHBondContact O-CB 3Å; H18-S22 PolarHBondContact O-N 2.64Å; H18-S22 PolarHBondContact O-OG 2.97Å; H18-G28 WeakPolarHBondContact NE2-CA 3.32Å; H18-V32 HydrophobicContact CB-CB 4.19Å; H18-V32 HydrophobicContact CB-CG1 3.74Å; H18-Q33 VanDerWaalsContact NE2-CG 3.34Å; H18-Q33 WeakPolarHBondContact NE2-CG 3.09Å; H18-Q33 PolarHBondContact NE2-NE2 2.92Å
19	R	94.1	Very high	94.4	Very high	174 Å²	174	85.4 Å²	85.4	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-62.6	-42.4	173.1	-77.1	-176	172.7	-172.1	-1.7	111.4	I15 A16 S22 A23	I15-R19 PolarHBondContact O-N 2.98Å; A16-R19 PolarHBondContact O-N 2.91Å; A16-R19 VanDerWaalsContact O-N 3.17Å; R19-S22 PolarHBondContact O-N 2.93Å; R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 3.01Å
20	Q	95.1	Very high	94	Very high	104 Å²	104	85 Å²	85	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-50.2	174.1	-177.4	-179.3	-10.4	0	0	111.9	A16 Y17 S22 A23 E24	A16-Q20 PolarHBondContact O-N 2.89Å; Y17-Q20 PolarHBondContact O-N 2.83Å; Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 2.87Å; Q20-A23 PolarHBondContact O-N 2.82Å; Q20-A23 VanDerWaalsContact O-N 3.12Å; Q20-E24 HydrophobicContact CG-CG 4.42Å; Q20-E24 VanDerWaalsContact CG-OE1 3.28Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.1Å; Q20-E24 PolarHBondContact NE2-OE1 2.75Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 2.96Å
21	Q	94.6	Very high	93.7	Very high	31 Å²	31	82.8 Å²	82.8	15%	0.145	45%	0.451	C	S	.	.	H	α-helix	trans	-55.3	-43	175.5	-71	-63.5	-71.1	0	0	111.8	Y17 H18 A23 E24 G25 K26	Y17-Q21 HydrophobicContact CD1-CG 4.15Å; Y17-Q21 HydrophobicContact CE1-CG 3.8Å; Y17-Q21 WeakPolarHBondContact O-CG 3.37Å; Y17-Q21 PolarHBondContact O-N 2.59Å; H18-Q21 PolarHBondContact O-N 2.87Å; Q21-A23 PolarHBondContact O-N 2.68Å; Q21-E24 PolarHBondContact NE2-OE2 2.67Å; Q21-E24 CarbonylContact O-C 3.52Å; Q21-E24 PolarHBondContact O-N 2.99Å; Q21-G25 PolarHBondContact O-N 3.33Å; Q21-K26 CarbonylContact C-O 3.52Å; Q21-K26 HydrophobicContact CB-CB 4.37Å; Q21-K26 WeakPolarHBondContact O-CB 3.44Å; Q21-K26 PolarHBondContact O-N 2.94Å; Q21-K26 VanDerWaalsContact O-O 3.12Å
22	S	93.1	Very high	93.4	Very high	61 Å²	61	81.1 Å²	81.1	43%	0.427	44%	0.443	S	S	.	.	H	α-helix	trans	-65.6	-37	178.7	-53.6	0	0	0	0	112.6	H18 R19 Q20 G25	H18-S22 PolarHBondContact CE1-OG 3.04Å; H18-S22 PolarHBondContact ND1-OG 2.76Å; H18-S22 WeakPolarHBondContact O-CB 3Å; H18-S22 PolarHBondContact O-N 2.64Å; H18-S22 PolarHBondContact O-OG 2.97Å; R19-S22 PolarHBondContact O-N 2.93Å; Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 2.87Å; S22-G25 PolarHBondContact O-N 2.97Å
23	A	93.4	Very high	93.1	Very high	90 Å²	90	80.9 Å²	80.9	74%	0.744	44%	0.439	S	S	*	.	H	α-helix	trans	-71.3	-33.4	174.9	0	0	0	0	0	112.5	R19 Q20 Q21 G25	R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 3.01Å; Q20-A23 PolarHBondContact O-N 2.82Å; Q20-A23 VanDerWaalsContact O-N 3.12Å; Q21-A23 PolarHBondContact O-N 2.68Å; A23-G25 PolarHBondContact O-N 3.06Å
24	E	94.6	Very high	92.8	Very high	81 Å²	81	82.3 Å²	82.3	38%	0.379	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	6.4	172	-68.2	173.4	-171	0	0	113.5	Q20 Q21 K26	Q20-E24 HydrophobicContact CG-CG 4.42Å; Q20-E24 VanDerWaalsContact CG-OE1 3.28Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.1Å; Q20-E24 PolarHBondContact NE2-OE1 2.75Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 2.96Å; Q21-E24 PolarHBondContact NE2-OE2 2.67Å; Q21-E24 CarbonylContact O-C 3.52Å; Q21-E24 PolarHBondContact O-N 2.99Å; E24-K26 HydrophobicContact CB-CD 4.01Å; E24-K26 HydrophobicContact CB-CG 4.28Å; E24-K26 PolarHBondContact O-N 3.13Å; E24-K26 WeakPolarHBondContact OE2-CD 3.36Å; E24-K26 WeakPolarHBondContact OE2-CE 3.18Å; E24-K26 IonicContact OE2-NZ 2.67Å; E24-K26 PolarHBondContact OE2-NZ 3.31Å
25	G	94.4	Very high	92.6	Very high	70 Å²	70	83 Å²	83	72%	0.722	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	11.4	-178.7	0	0	0	0	0	114.6	Q21 S22 A23	Q21-G25 PolarHBondContact O-N 3.33Å; S22-G25 PolarHBondContact O-N 2.97Å; A23-G25 PolarHBondContact O-N 3.06Å
26	K	91.8	Very high	92.3	Very high	108 Å²	108	83.2 Å²	83.2	47%	0.47	45%	0.447	S	S	.	.			trans	-87.7	134.1	179.5	-64.3	165.3	-171.1	168.2	0	108.7	Q21 E24 G28	Q21-K26 CarbonylContact C-O 3.52Å; Q21-K26 HydrophobicContact CB-CB 4.37Å; Q21-K26 WeakPolarHBondContact O-CB 3.44Å; Q21-K26 PolarHBondContact O-N 2.94Å; Q21-K26 VanDerWaalsContact O-O 3.12Å; E24-K26 HydrophobicContact CB-CD 4.01Å; E24-K26 HydrophobicContact CB-CG 4.28Å; E24-K26 PolarHBondContact O-N 3.13Å; E24-K26 WeakPolarHBondContact OE2-CD 3.36Å; E24-K26 WeakPolarHBondContact OE2-CE 3.18Å; E24-K26 IonicContact OE2-NZ 2.67Å; E24-K26 PolarHBondContact OE2-NZ 3.31Å; K26-G28 PolarHBondContact O-N 2.84Å
27	E	87.5	Confident	92.1	Very high	200 Å²	200	83 Å²	83	94%	0.935	45%	0.446	S	S	*	.			trans	-58.3	104.2	175.5	-68.6	-173	151.4	0	0	109.8
28	G	87.3	Confident	91.9	Very high	7 Å²	7	84 Å²	84	7%	0.072	45%	0.454	C	S	.	.			trans	-60.9	144	-175.6	0	0	0	0	0	111.9	H18 K26 P30	H18-G28 WeakPolarHBondContact NE2-CA 3.32Å; K26-G28 PolarHBondContact O-N 2.84Å; G28-P30 WeakPolarHBondContact O-CD 3.48Å; G28-P30 VanDerWaalsContact O-N 3.08Å
29	I	90.9	Very high	91.6	Very high	76 Å²	76	85.5 Å²	85.5	39%	0.39	46%	0.462	S	S	.	.			trans	-52.4	116.6	-172.5	-58.8	172.2	0	0	0	109.9	Y17 V31 V32	Y17-I29 HydrophobicContact CD1-CD1 4.45Å; Y17-I29 HydrophobicContact CE1-CD1 4.09Å; I29-V31 HydrophobicContact CG2-CB 4.15Å; I29-V31 HydrophobicContact CG2-CG2 4.38Å; I29-V31 PolarHBondContact O-N 3.36Å; I29-V31 VanDerWaalsContact O-N 3.1Å; I29-V32 HydrophobicContact CB-CG2 4.02Å; I29-V32 HydrophobicContact CG2-CG2 4.28Å; I29-V32 WeakPolarHBondContact O-CB 3.33Å; I29-V32 PolarHBondContact O-N 2.87Å
30	P	89.2	Confident	91.5	Very high	93 Å²	93	79 Å²	79	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-64.9	-24.5	-169.4	22.9	-34.1	0	0	0	113.3	G28 V32 Q33 E34	G28-P30 WeakPolarHBondContact O-CD 3.48Å; G28-P30 VanDerWaalsContact O-N 3.08Å; P30-V32 PolarHBondContact O-N 3.35Å; P30-Q33 PolarHBondContact O-N 2.71Å; P30-Q33 VanDerWaalsContact O-N 3.13Å; P30-E34 PolarHBondContact O-N 3.37Å
31	V	90.4	Very high	91.3	Very high	84 Å²	84	82 Å²	82	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-30.6	172.2	-175.1	0	0	0	0	111.8	I29 L35	I29-V31 HydrophobicContact CG2-CB 4.15Å; I29-V31 HydrophobicContact CG2-CG2 4.38Å; I29-V31 PolarHBondContact O-N 3.36Å; I29-V31 VanDerWaalsContact O-N 3.1Å; V31-L35 HydrophobicContact CG1-CD1 4.23Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.1Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 2.9Å; V31-L35 PolarHBondContact O-N 3.21Å
32	V	90.4	Very high	91.1	Very high	8 Å²	8	84 Å²	84	5%	0.048	48%	0.476	C	S	.	.	H	α-helix	trans	-77.2	-32.1	176.3	-171.3	0	0	0	0	111	L14 H18 I29 P30 L36	L14-V32 HydrophobicContact CD1-CG2 4.1Å; L14-V32 HydrophobicContact CD2-CG2 3.9Å; L14-V32 HydrophobicContact CG-CG1 4.36Å; L14-V32 HydrophobicContact CG-CG2 3.7Å; H18-V32 HydrophobicContact CB-CB 4.19Å; H18-V32 HydrophobicContact CB-CG1 3.74Å; I29-V32 HydrophobicContact CB-CG2 4.02Å; I29-V32 HydrophobicContact CG2-CG2 4.28Å; I29-V32 WeakPolarHBondContact O-CB 3.33Å; I29-V32 PolarHBondContact O-N 2.87Å; P30-V32 PolarHBondContact O-N 3.35Å; V32-L36 WeakPolarHBondContact O-CB 2.89Å; V32-L36 PolarHBondContact O-N 3.34Å
33	Q	89.6	Confident	90.9	Very high	108 Å²	108	84.9 Å²	84.9	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-68.2	-41.9	171.3	-58.1	-174	9.2	0	0	111.4	H18 P30 L36 A37	H18-Q33 VanDerWaalsContact NE2-CG 3.34Å; H18-Q33 WeakPolarHBondContact NE2-CG 3.09Å; H18-Q33 PolarHBondContact NE2-NE2 2.92Å; P30-Q33 PolarHBondContact O-N 2.71Å; P30-Q33 VanDerWaalsContact O-N 3.13Å; Q33-L36 PolarHBondContact O-N 3.22Å; Q33-A37 WeakPolarHBondContact O-CB 2.51Å; Q33-A37 PolarHBondContact O-N 2.9Å
34	E	92.6	Very high	90.8	Very high	146 Å²	146	84.1 Å²	84.1	68%	0.682	48%	0.483	S	S	*	.	H	α-helix	trans	-64.2	-41.9	174.3	-170.9	175.7	-163.9	0	0	111.6	P30 H38	P30-E34 PolarHBondContact O-N 3.37Å; E34-H38 WeakPolarHBondContact O-CB 3.13Å; E34-H38 PolarHBondContact O-N 3.49Å
35	L	90.8	Very high	90	Very high	78 Å²	78	83.4 Å²	83.4	41%	0.408	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-43.2	172.4	-81.6	166.4	0	0	0	112.5	L14 V31 H38 L39	L14-L35 HydrophobicContact CD2-CD1 4.28Å; V31-L35 HydrophobicContact CG1-CD1 4.23Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.1Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 2.9Å; V31-L35 PolarHBondContact O-N 3.21Å; L35-H38 PolarHBondContact O-N 3.12Å; L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.31Å
36	L	90.1	Very high	89.1	Confident	37 Å²	37	85.6 Å²	85.6	19%	0.194	48%	0.48	C	S	.	.	H	α-helix	trans	-65.2	-45.7	179.6	-172.5	64.5	0	0	0	110.6	I15 V32 Q33 H38 L39 D40 L47 A48	I15-L36 HydrophobicContact CD1-CD1 4.32Å; V32-L36 WeakPolarHBondContact O-CB 2.89Å; V32-L36 PolarHBondContact O-N 3.34Å; Q33-L36 PolarHBondContact O-N 3.22Å; L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 2.94Å; L36-L39 CarbonylContact O-C 3.44Å; L36-L39 WeakPolarHBondContact O-CA 3.04Å; L36-L39 WeakPolarHBondContact O-CB 2.56Å; L36-L39 PolarHBondContact O-N 3.27Å; L36-D40 WeakPolarHBondContact O-CB 3.34Å; L36-D40 PolarHBondContact O-N 3.34Å; L36-L47 HydrophobicContact CD1-CB 3.9Å; L36-A48 HydrophobicContact CD2-CB 4.46Å
37	A	92.6	Very high	88.2	Confident	54 Å²	54	84 Å²	84	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-34.9	175.1	0	0	0	0	0	112.9	Q33 L39 D40 Q41	Q33-A37 WeakPolarHBondContact O-CB 2.51Å; Q33-A37 PolarHBondContact O-N 2.9Å; A37-L39 VanDerWaalsContact C-N 3.35Å; A37-D40 WeakPolarHBondContact O-CB 3.33Å; A37-Q41 WeakPolarHBondContact O-CB 3.27Å; A37-Q41 PolarHBondContact O-N 2.65Å
38	H	92	Very high	87.2	Confident	130 Å²	130	76.9 Å²	76.9	60%	0.602	45%	0.451	S	S	*	.	H	α-helix	trans	-73.5	-26.3	172.7	-165.9	-55.6	0	0	0	112.2	E34 L35 L36 A42	E34-H38 WeakPolarHBondContact O-CB 3.13Å; E34-H38 PolarHBondContact O-N 3.49Å; L35-H38 PolarHBondContact O-N 3.12Å; L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 2.94Å; H38-A42 WeakPolarHBondContact O-CB 3.46Å; H38-A42 PolarHBondContact O-N 3.29Å; H38-A42 VanDerWaalsContact O-N 3.16Å
39	L	89.1	Confident	86.4	Confident	55 Å²	55	79.3 Å²	79.3	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-45.8	170.3	-136.6	76.2	0	0	0	110.6	L11 L35 L36 A37 Q41 A42 C43 L47	L11-L39 HydrophobicContact CD2-CD1 4.01Å; L11-L39 HydrophobicContact CD2-CD2 4.05Å; L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.31Å; L36-L39 CarbonylContact O-C 3.44Å; L36-L39 WeakPolarHBondContact O-CA 3.04Å; L36-L39 WeakPolarHBondContact O-CB 2.56Å; L36-L39 PolarHBondContact O-N 3.27Å; A37-L39 VanDerWaalsContact C-N 3.35Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.91Å; L39-A42 CarbonylContact O-C 3.47Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-C43 WeakPolarHBondContact O-CB 3.48Å; L39-C43 PolarHBondContact O-N 2.99Å; L39-L47 HydrophobicContact CD2-CD1 4.09Å
40	D	91.2	Very high	85.3	Confident	38 Å²	38	84.1 Å²	84.1	20%	0.203	49%	0.494	C	S	.	.	H	α-helix	trans	-50.7	-52.9	173.6	-144.5	99.3	0	0	0	110.6	L36 A37 A42 G44 T45 D46 L47 A48	L36-D40 WeakPolarHBondContact O-CB 3.34Å; L36-D40 PolarHBondContact O-N 3.34Å; A37-D40 WeakPolarHBondContact O-CB 3.33Å; D40-A42 VanDerWaalsContact C-N 3.32Å; D40-A42 PolarHBondContact O-N 3.28Å; D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 2.98Å; D40-T45 VanDerWaalsContact OD1-O 3.11Å; D40-D46 WeakPolarHBondContact OD1-CA 3.06Å; D40-L47 PolarHBondContact OD1-N 3.42Å; D40-A48 PolarHBondContact OD1-N 2.89Å
41	Q	91.2	Very high	83.8	Confident	166 Å²	166	85.1 Å²	85.1	78%	0.776	50%	0.501	S	S	*	.	H	α-helix	trans	-66.7	-26.5	177.4	-171.1	174.2	27.4	0	0	114.1	A37 L39	A37-Q41 WeakPolarHBondContact O-CB 3.27Å; A37-Q41 PolarHBondContact O-N 2.65Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.91Å
42	A	91.2	Very high	81.9	Confident	73 Å²	73	88.1 Å²	88.1	60%	0.603	51%	0.509	S	S	*	.	H	α-helix	trans	-89.3	-29.7	-179.5	0	0	0	0	0	113.6	H38 L39 D40	H38-A42 WeakPolarHBondContact O-CB 3.46Å; H38-A42 PolarHBondContact O-N 3.29Å; H38-A42 VanDerWaalsContact O-N 3.16Å; L39-A42 CarbonylContact O-C 3.47Å; L39-A42 PolarHBondContact O-N 2.93Å; D40-A42 VanDerWaalsContact C-N 3.32Å; D40-A42 PolarHBondContact O-N 3.28Å
43	C	88.5	Confident	80.1	Confident	81 Å²	81	92.6 Å²	92.6	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-97.3	-20.3	-179.3	-67.7	0	0	0	0	113.1	L39 T45	L39-C43 WeakPolarHBondContact O-CB 3.48Å; L39-C43 PolarHBondContact O-N 2.99Å; C43-T45 VanDerWaalsContact C-N 3.25Å; C43-T45 HydrophobicContact CB-CG2 4.42Å; C43-T45 WeakPolarHBondContact CB-OG1 2.95Å; C43-T45 PolarHBondContact O-N 3.42Å
44	G	90.5	Very high	78.3	Confident	74 Å²	74	95.1 Å²	95.1	76%	0.763	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	17.9	-174.9	0	0	0	0	0	113.6	D40	D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 2.98Å
45	T	77.7	Confident	76.1	Confident	66 Å²	66	92.7 Å²	92.7	41%	0.405	56%	0.562	S	S	.	*			trans	-118	123.2	-174.7	53.2	0	0	0	0	109.9	D40 C43 L47	D40-T45 VanDerWaalsContact OD1-O 3.11Å; C43-T45 VanDerWaalsContact C-N 3.25Å; C43-T45 HydrophobicContact CB-CG2 4.42Å; C43-T45 WeakPolarHBondContact CB-OG1 2.95Å; C43-T45 PolarHBondContact O-N 3.42Å; T45-L47 VanDerWaalsContact C-N 3.27Å; T45-L47 PolarHBondContact O-N 3.34Å
46	D	76.6	Confident	74.1	Confident	116 Å²	116	95 Å²	95	62%	0.62	58%	0.584	S	S	*	*			trans	-68.6	82.1	175.6	-168.2	-24.5	0	0	0	110	D40	D40-D46 WeakPolarHBondContact OD1-CA 3.06Å
47	L	72.3	Confident	72	Confident	74 Å²	74	97.3 Å²	97.3	39%	0.387	61%	0.608	S	S	.	*			trans	-86.9	-21.2	175	-65.8	173.2	0	0	0	110.7	L36 L39 D40 T45 G49	L36-L47 HydrophobicContact CD1-CB 3.9Å; L39-L47 HydrophobicContact CD2-CD1 4.09Å; D40-L47 PolarHBondContact OD1-N 3.42Å; T45-L47 VanDerWaalsContact C-N 3.27Å; T45-L47 PolarHBondContact O-N 3.34Å; L47-G49 PolarHBondContact O-N 3.34Å
48	A	67.2	Low	69.8	Low	50 Å²	50	101 Å²	101	41%	0.413	63%	0.625	S	S	.	*	S	Bend	trans	-73.9	44.5	172.6	0	0	0	0	0	112.7	L36 D40 K50	L36-A48 HydrophobicContact CD2-CB 4.46Å; D40-A48 PolarHBondContact OD1-N 2.89Å; A48-K50 PolarHBondContact O-N 3.05Å
49	G	70.9	Confident	67.8	Low	59 Å²	59	103.8 Å²	103.8	61%	0.608	64%	0.639	S	S	*	*			trans	-32.2	100.7	-170.9	0	0	0	0	0	113.7	L47	L47-G49 PolarHBondContact O-N 3.34Å
50	K	67	Low	65.6	Low	176 Å²	176	104.4 Å²	104.4	77%	0.765	66%	0.658	S	S	*	*			trans	-45.1	119.8	-167.8	-171.6	174.9	-173.6	172.1	0	112.1	A48 E52	A48-K50 PolarHBondContact O-N 3.05Å; K50-E52 PolarHBondContact O-N 2.81Å
51	P	57.1	Low	63.7	Low	114 Å²	114	110.6 Å²	110.6	74%	0.74	69%	0.686	S	S	*	*			trans	-63.5	115.4	-175	24.1	-33.3	0	0	0	110.3	A53	P51-A53 PolarHBondContact O-N 2.89Å
52	E	51.7	Low	61.6	Low	147 Å²	147	109.4 Å²	109.4	69%	0.687	68%	0.678	S	S	*	*			trans	-63	105	169.5	-74.9	-160.3	128	0	0	108.9	K50 K54	K50-E52 PolarHBondContact O-N 2.81Å; E52-K54 HydrophobicContact CB-CG 4.41Å; E52-K54 PolarHBondContact O-N 3.05Å; E52-K54 WeakPolarHBondContact OE2-CE 3.21Å; E52-K54 IonicContact OE2-NZ 2.64Å; E52-K54 PolarHBondContact OE2-NZ 2.79Å
53	A	52	Low	59.6	Low	102 Å²	102	113 Å²	113	84%	0.843	68%	0.682	S	S	*	*			trans	-69.3	75.1	172.9	0	0	0	0	0	110.4	P51 A55	P51-A53 PolarHBondContact O-N 2.89Å; A53-A55 PolarHBondContact O-N 2.92Å
54	K	51.9	Low	57.7	Low	161 Å²	161	115.6 Å²	115.6	70%	0.7	70%	0.696	S	S	*	*			trans	-67.8	94.7	172.7	-76.8	173.3	176.1	146.5	0	108.7	E52 S56	E52-K54 HydrophobicContact CB-CG 4.41Å; E52-K54 PolarHBondContact O-N 3.05Å; E52-K54 WeakPolarHBondContact OE2-CE 3.21Å; E52-K54 IonicContact OE2-NZ 2.64Å; E52-K54 PolarHBondContact OE2-NZ 2.79Å; K54-S56 PolarHBondContact O-N 2.85Å
55	A	46.9	Very low	55.4	Low	96 Å²	96	118.5 Å²	118.5	79%	0.793	69%	0.687	S	S	*	*			trans	-61.4	105.1	173.7	0	0	0	0	0	109.8	A53 A57	A53-A55 PolarHBondContact O-N 2.92Å; A55-A57 PolarHBondContact O-N 3.1Å; A55-A57 VanDerWaalsContact O-N 3.14Å
56	S	47.9	Very low	53.7	Low	126 Å²	126	121.8 Å²	121.8	88%	0.881	70%	0.702	S	S	*	*			trans	-75.1	95.9	175.5	53.1	0	0	0	0	109.9	K54	K54-S56 PolarHBondContact O-N 2.85Å
57	A	45.8	Very low	52	Low	85 Å²	85	122.4 Å²	122.4	70%	0.702	71%	0.71	S	S	*	*			trans	-139.4	86.6	175.3	0	0	0	0	0	110.3	A55	A55-A57 PolarHBondContact O-N 3.1Å; A55-A57 VanDerWaalsContact O-N 3.14Å
58	V	47.8	Very low	50.3	Low	133 Å²	133	122.8 Å²	122.8	81%	0.806	72%	0.724	S	S	*	*			trans	-144.6	111.9	165.3	-179.9	0	0	0	0	103.9
59	E	49.6	Very low	48.8	Very low	188 Å²	188	124.7 Å²	124.7	88%	0.879	74%	0.74	S	S	*	*			cis	93.8	112.3	34.8	-166.1	-178.7	-142.5	0	0	113.2
60	G	43.5	Very low	47.3	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	75%	0.752	S	S	*	*			trans	157.6	134	178.4	0	0	0	0	0	107.7
61	E	51.2	Low	45.8	Very low	168 Å²	168	125.3 Å²	125.3	79%	0.785	75%	0.746	S	S	*	*			cis	-135.3	148.7	-6.2	-74.3	-163.9	73.7	0	0	107.5
62	K	47.2	Very low	44.8	Very low	142 Å²	142	125 Å²	125	62%	0.617	75%	0.753	S	S	*	*				42.3	133	80.2	-57.9	175.8	61.8	-81	0	113.5
63	E	48.6	Very low	44.2	Very low	148 Å²	148	126.9 Å²	126.9	69%	0.692	76%	0.762	S	S	*	*			cis	-143.5	162.8	-6.7	-100.6	148.1	155.8	0	0	105.8
64	T	48.1	Very low	43.5	Very low	136 Å²	136	125 Å²	125	83%	0.834	75%	0.753	S	S	*	*				-159.9	-173	62.4	48.3	0	0	0	0	111.8
65	K	42.3	Very low	43	Very low	135 Å²	135	126.7 Å²	126.7	59%	0.587	76%	0.763	S	S	*	*			trans	-94.8	165.5	162.6	-46.3	175.6	-174.2	162.9	0	108.3	K962 K963	K65-K962 PolarHBondContact NZ-O 3.44Å; K65-K963 PolarHBondContact NZ-O 3.42Å
66	N	41.5	Very low	42.7	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	76%	0.76	S	S	*	*				-172.2	176.1	55.6	-121.7	-9.9	0	0	0	111.4
67	V	41.1	Very low	42.8	Very low	129 Å²	129	126.8 Å²	126.8	78%	0.782	74%	0.744	S	S	*	*			trans	20.3	138.4	141	179.1	0	0	0	0	118.7
68	A	37.2	Very low	43.1	Very low	83 Å²	83	127.5 Å²	127.5	69%	0.686	75%	0.745	S	S	*	*			cis	-173.3	176.8	-16.4	0	0	0	0	0	107.5
69	A	36.6	Very low	43.2	Very low	89 Å²	89	128.8 Å²	128.8	74%	0.736	74%	0.739	S	S	*	*			trans	60.3	173.6	-174.4	0	0	0	0	0	112.4
70	E	38.4	Very low	43	Very low	187 Å²	187	126.4 Å²	126.4	87%	0.874	73%	0.728	S	S	*	*			cis	-128.4	171.5	-9.6	-144.5	157.1	111.5	0	0	108.6
71	G	36.4	Very low	43.6	Very low	61 Å²	61	129.3 Å²	129.3	63%	0.629	73%	0.732	S	S	*	*				116.5	63.1	75	0	0	0	0	0	109.6	Q73	G71-Q73 PolarHBondContact O-N 3.01Å
72	A	36.1	Very low	43.8	Very low	108 Å²	108	126.8 Å²	126.8	89%	0.893	73%	0.73	S	S	*	*			trans	-90	84.7	174.3	0	0	0	0	0	109.5
73	Q	39.1	Very low	43.7	Very low	186 Å²	186	124.6 Å²	124.6	87%	0.869	74%	0.738	S	S	*	*			trans	-108.8	147.4	161.3	-76.1	175.1	-39.2	0	0	107.8	G71	G71-Q73 PolarHBondContact O-N 3.01Å
74	G	37.4	Very low	43.7	Very low	64 Å²	64	122.1 Å²	122.1	66%	0.66	74%	0.743	S	S	*	*			cis	97.5	65.1	35.7	0	0	0	0	0	106.2
75	E	41.1	Very low	43.7	Very low	195 Å²	195	120.8 Å²	120.8	91%	0.911	75%	0.746	S	S	*	*				69.7	61	97.2	-162.8	166	176.1	0	0	111.5
76	Q	39.8	Very low	43.7	Very low	158 Å²	158	117.7 Å²	117.7	74%	0.738	75%	0.753	S	S	*	*			trans	-63.8	150.8	146.7	-75.5	-174.1	-14.1	0	0	109.4
77	A	49.3	Very low	43.9	Very low	66 Å²	66	116 Å²	116	55%	0.545	76%	0.757	S	S	.	*			cis	-172.4	173.5	-18.7	0	0	0	0	0	106.9
78	S	52.4	Low	44.1	Very low	101 Å²	101	118.1 Å²	118.1	71%	0.706	76%	0.759	S	S	*	*			trans	69.4	141.7	151.5	-63.7	0	0	0	0	118.9
79	K	51.3	Low	44.5	Very low	159 Å²	159	120.5 Å²	120.5	69%	0.691	76%	0.755	S	S	*	*			cis	-167.3	175.8	-22.3	-144.5	170.6	168.6	-125.1	0	108.8
80	E	44.6	Very low	44.8	Very low	138 Å²	138	124.4 Å²	124.4	65%	0.645	76%	0.756	S	S	*	*			trans	62.4	120.9	166.8	-80.4	102.6	-149.4	0	0	117.9
81	V	56.7	Low	45.1	Very low	129 Å²	129	125.3 Å²	125.3	78%	0.782	76%	0.757	S	S	*	*			cis	76.6	143.9	29.1	-172.7	0	0	0	0	112.3
82	P	55	Low	45.6	Very low	115 Å²	115	126.6 Å²	126.6	75%	0.747	76%	0.762	S	S	*	*			cis	-122.8	178.6	-3	25.4	-3.3	0	0	0	115.1
83	A	45.5	Very low	45.9	Very low	95 Å²	95	130.4 Å²	130.4	79%	0.785	76%	0.761	S	S	*	*				161.2	141.2	113.9	0	0	0	0	0	113.5
84	A	47.8	Very low	46.2	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	76%	0.755	S	S	*	*			trans	52.9	114	172	0	0	0	0	0	117.2
85	A	47.8	Very low	46.7	Very low	108 Å²	108	131.8 Å²	131.8	89%	0.893	77%	0.765	S	S	*	*				66.6	130.6	65.2	0	0	0	0	0	113.7
86	G	43.1	Very low	47	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	75%	0.754	S	S	*	*			cis	165	152.2	-6.7	0	0	0	0	0	111.9
87	A	45.6	Very low	47.5	Very low	97 Å²	97	128.7 Å²	128.7	80%	0.802	75%	0.752	S	S	*	*			trans	60.9	170	176	0	0	0	0	0	114.8
88	E	45	Very low	47.4	Very low	175 Å²	175	132.1 Å²	132.1	82%	0.818	76%	0.757	S	S	*	*			cis	-150.1	-170	-33.2	-128	-170.8	117.2	0	0	110.4
89	E	45.7	Very low	47.4	Very low	132 Å²	132	135 Å²	135	62%	0.617	76%	0.757	S	S	*	*			trans	49	109.7	154.5	-68.2	-115.9	85.3	0	0	122.2
90	K	43.7	Very low	47.2	Very low	171 Å²	171	133.6 Å²	133.6	74%	0.743	76%	0.762	S	S	*	*				20	146.5	126	-45.7	-173.5	-161.7	97.5	0	121.9
91	K	44.7	Very low	47.5	Very low	206 Å²	206	136.5 Å²	136.5	90%	0.896	77%	0.772	S	S	*	*			trans	89.1	158.1	137.7	-122.3	-177.1	179.8	-171.1	0	118.9
92	A	45.1	Very low	46.9	Very low	88 Å²	88	134.9 Å²	134.9	73%	0.727	77%	0.773	S	S	*	*			trans	62.2	137.7	-177.9	0	0	0	0	0	116.3
93	E	43.7	Very low	46.4	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	77%	0.772	S	S	*	*			cis	94.4	150.9	21.4	-160.9	171	170	0	0	114.2
94	A	44.6	Very low	46.3	Very low	89 Å²	89	135 Å²	135	74%	0.736	77%	0.77	S	S	*	*			trans	62.3	122.5	-160.8	0	0	0	0	0	114
95	E	47.5	Very low	46.1	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	76%	0.764	S	S	*	*			cis	95.4	137.4	22.9	-154.1	-174.7	-168.2	0	0	115.5
96	D	48.4	Very low	45.9	Very low	124 Å²	124	139.8 Å²	139.8	66%	0.663	76%	0.757	S	S	*	*			trans	81.3	155.9	158	-149.1	11.9	0	0	0	120.7
97	K	50.8	Low	46.2	Very low	164 Å²	164	142 Å²	142	71%	0.713	76%	0.761	S	S	*	*			trans	74.1	136.8	160.3	-53.6	-170.8	-167.6	172.9	0	118.5
98	E	46.2	Very low	46.2	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	76%	0.757	S	S	*	*			cis	-153.1	162.4	-15.4	-171.3	155	161.6	0	0	113.5
99	K	52.9	Low	46.3	Very low	161 Å²	161	140.1 Å²	140.1	70%	0.7	75%	0.751	S	S	*	*			trans	-34.3	149.8	175.2	-49.8	142.8	-157.6	156.9	0	117.6
100	T	47.6	Very low	46.4	Very low	130 Å²	130	138.6 Å²	138.6	80%	0.798	75%	0.751	S	S	*	*				-168.8	123.9	111.6	21.3	0	0	0	0	109.1
101	K	49.3	Very low	46.6	Very low	199 Å²	199	137.9 Å²	137.9	87%	0.865	75%	0.748	S	S	*	*				80.5	124.7	69.5	-169.5	177.9	-178.2	-179.3	0	111.3
102	A	45	Very low	46.9	Very low	95 Å²	95	137.6 Å²	137.6	79%	0.785	75%	0.746	S	S	*	*			cis	-127.7	172.9	-1.8	0	0	0	0	0	110.4
103	G	43.6	Very low	46.8	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	74%	0.742	S	S	*	*				96.2	147	74.1	0	0	0	0	0	110.3
104	L	44.4	Very low	46.8	Very low	142 Å²	142	131.4 Å²	131.4	74%	0.743	73%	0.729	S	S	*	*			cis	-158.4	161.5	-2.6	-166	70	0	0	0	108.3
105	E	43.8	Very low	46.6	Very low	142 Å²	142	134.1 Å²	134.1	66%	0.664	72%	0.724	S	S	*	*			trans	49.2	118.7	155.4	-85.3	145.8	-147.5	0	0	121.4
106	Q	42.3	Very low	46.2	Very low	162 Å²	162	130 Å²	130	76%	0.757	70%	0.703	S	S	*	*				93.7	147.2	67.2	-83.7	-164.5	48	0	0	113.1
107	S	49.7	Very low	45.7	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	68%	0.683	S	S	*	*			trans	65.3	148	165.1	-67	0	0	0	0	117.4
108	A	46.9	Very low	45.1	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	67%	0.671	S	S	*	*			cis	-138.3	158	-2.3	0	0	0	0	0	112.3
109	E	46.4	Very low	44.8	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.692	67%	0.669	S	S	*	*			trans	50.1	123.2	144.1	-78.7	-152.6	74.2	0	0	123.7	K111	E109-K111 IonicContact OE1-NZ 3.58Å
110	T	47.8	Very low	44.2	Very low	100 Å²	100	124.6 Å²	124.6	61%	0.613	67%	0.671	S	S	*	*				51	151.5	122.6	84.9	0	0	0	0	121.5
111	K	48.8	Very low	44	Very low	155 Å²	155	126.3 Å²	126.3	67%	0.674	67%	0.668	S	S	*	*			cis	-140.2	142.8	15.6	-116	118.2	-163	146	0	110.4	E109	E109-K111 IonicContact OE1-NZ 3.58Å
112	K	49.2	Very low	43.5	Very low	201 Å²	201	120.8 Å²	120.8	87%	0.874	65%	0.654	S	S	*	*			trans	40.4	118.3	149	-59.2	177.6	-178.3	178	0	116.6
113	G	43	Very low	43.4	Very low	62 Å²	62	125.2 Å²	125.2	64%	0.639	66%	0.656	S	S	*	*				102.4	84.2	54.1	0	0	0	0	0	108.2
114	S	43.6	Very low	43.2	Very low	85 Å²	85	130.6 Å²	130.6	59%	0.594	66%	0.659	S	S	*	*				68.6	144.3	70.4	88.7	0	0	0	0	113
115	K	41.7	Very low	43	Very low	145 Å²	145	128.3 Å²	128.3	63%	0.63	66%	0.655	S	S	*	*			trans	69.2	157.1	158.9	-57.5	163.7	-168.9	164.5	0	113.4
116	K	38.6	Very low	42.9	Very low	103 Å²	103	129.8 Å²	129.8	45%	0.448	66%	0.659	S	S	.	*			cis	-159.4	144.1	-19.4	-111.6	163.7	-173.3	171.5	0	105.3	P1026	K116-P1026 HydrophobicContact CD-CG 4.39Å; K116-P1026 WeakPolarHBondContact CE-O 3.01Å
117	K	38.7	Very low	42.9	Very low	56 Å²	56	126.9 Å²	126.9	24%	0.243	66%	0.657	C	S	.	*				40	165.4	107.9	-160.1	-171	176.3	173.5	0	114.8	E1024 P1026 K1027 E1028	K117-E1024 IonicContact NZ-OE1 2.66Å; K117-E1024 PolarHBondContact NZ-OE1 2.87Å; K117-P1026 HydrophobicContact CD-CB 3.54Å; K117-P1026 HydrophobicContact CD-CG 3.42Å; K117-P1026 VanDerWaalsContact CD-CG 3.42Å; K117-K1027 HydrophobicContact CB-CB 4.06Å; K117-K1027 HydrophobicContact CB-CD 4.04Å; K117-K1027 HydrophobicContact CD-CB 4.12Å; K117-K1027 HydrophobicContact CD-CD 4.12Å; K117-K1027 HydrophobicContact CD-CG 4.04Å; K117-K1027 HydrophobicContact CG-CB 4.28Å; K117-K1027 HydrophobicContact CG-CD 3.74Å; K117-K1027 HydrophobicContact CG-CG 4.21Å; K117-E1028 WeakPolarHBondContact CA-OE1 3.48Å; K117-E1028 VanDerWaalsContact N-CD 3.26Å; K117-E1028 PolarHBondContact N-OE1 3.47Å; K117-E1028 PolarHBondContact N-OE2 3.23Å
118	K	38.5	Very low	42.6	Very low	108 Å²	108	130.1 Å²	130.1	47%	0.47	66%	0.656	S	S	.	*			trans	80.9	141	151	-98.9	170.2	171.1	169.1	0	108.6	E1024	K118-E1024 WeakPolarHBondContact CE-OE1 3.04Å; K118-E1024 WeakPolarHBondContact CE-OE2 3.13Å; K118-E1024 IonicContact NZ-OE1 2.67Å; K118-E1024 PolarHBondContact NZ-OE1 3.31Å; K118-E1024 IonicContact NZ-OE2 2.64Å; K118-E1024 PolarHBondContact NZ-OE2 3.42Å
119	K	38.6	Very low	42.3	Very low	139 Å²	139	133 Å²	133	60%	0.604	65%	0.653	S	S	*	*			cis	-160.6	-165.1	6.1	-155.2	162.9	-175.3	179.9	0	108
120	K	41.1	Very low	42.1	Very low	171 Å²	171	129.5 Å²	129.5	74%	0.743	64%	0.641	S	S	*	*			trans	75.8	127.6	138.2	-83.9	163	175.1	-171.3	0	115.8
121	K	42.5	Very low	41.8	Very low	165 Å²	165	130.3 Å²	130.3	72%	0.717	64%	0.638	S	S	*	*			cis	-156.5	121.6	-22.1	-118.7	-168.1	-178.9	-175.7	0	102.8
122	S	40.3	Very low	41.5	Very low	83 Å²	83	126.7 Å²	126.7	58%	0.58	63%	0.632	S	S	*	*				74.7	157.5	82.9	83.1	0	0	0	0	114
123	K	41.2	Very low	41.3	Very low	188 Å²	188	123.5 Å²	123.5	82%	0.817	62%	0.62	S	S	*	*			trans	31.9	134.1	133.5	-59	179.9	179.1	-166	0	117.2
124	K	40.5	Very low	41.5	Very low	184 Å²	184	124.2 Å²	124.2	80%	0.8	62%	0.616	S	S	*	*			cis	-153.8	132.6	38	-140	159.7	173	-161.2	0	105.8
125	S	40.2	Very low	41.4	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	62%	0.622	S	S	*	*				30.7	145.2	87.8	75.6	0	0	0	0	114.3
126	K	41	Very low	41.2	Very low	172 Å²	172	122.2 Å²	122.2	75%	0.748	60%	0.602	S	S	*	*			cis	-165.6	174	36.6	-159.9	-177.3	-179.7	-175	0	108.5
127	S	43.3	Very low	41.3	Very low	102 Å²	102	119.5 Å²	119.5	71%	0.713	60%	0.598	S	S	*	*			trans	70.6	166.4	156	-54.5	0	0	0	0	117.9
128	K	42.8	Very low	41.3	Very low	185 Å²	185	118.6 Å²	118.6	80%	0.804	60%	0.601	S	S	*	*			cis	-169.9	136.5	-37	176.2	176.9	175.5	-167.6	0	108.3
129	K	41	Very low	41.5	Very low	146 Å²	146	116.8 Å²	116.8	64%	0.635	61%	0.606	S	S	*	*			trans	35.3	122.4	149.3	-157.5	177.2	-169.7	-60.9	0	122.2	E131	K129-E131 WeakPolarHBondContact CE-OE1 3.41Å; K129-E131 WeakPolarHBondContact CE-OE2 3.25Å; K129-E131 WeakPolarHBondContact CG-OE1 2.93Å; K129-E131 WeakPolarHBondContact CG-OE2 3.31Å; K129-E131 VanDerWaalsContact NZ-CD 3.27Å; K129-E131 IonicContact NZ-OE1 2.69Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-E131 IonicContact NZ-OE2 2.66Å; K129-E131 PolarHBondContact NZ-OE2 3.17Å
130	V	42.8	Very low	42	Very low	75 Å²	75	114.8 Å²	114.8	46%	0.455	61%	0.607	S	S	.	*			trans	-155.9	148.6	151.5	-82.7	0	0	0	0	108.9	E719	V130-E719 HydrophobicContact CB-CB 4.18Å; V130-E719 HydrophobicContact CG2-CB 3.59Å
131	E	40.9	Very low	41.8	Very low	117 Å²	117	112.4 Å²	112.4	55%	0.547	61%	0.608	S	S	.	*			trans	-154	50.6	-173.2	-61.9	99.6	141.8	0	0	117.3	K129 A718	K129-E131 WeakPolarHBondContact CE-OE1 3.41Å; K129-E131 WeakPolarHBondContact CE-OE2 3.25Å; K129-E131 WeakPolarHBondContact CG-OE1 2.93Å; K129-E131 WeakPolarHBondContact CG-OE2 3.31Å; K129-E131 VanDerWaalsContact NZ-CD 3.27Å; K129-E131 IonicContact NZ-OE1 2.69Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-E131 IonicContact NZ-OE2 2.66Å; K129-E131 PolarHBondContact NZ-OE2 3.17Å; E131-A718 CarbonylContact C-O 3.32Å; E131-A718 WeakPolarHBondContact CA-O 3.36Å
132	S	43.1	Very low	41.7	Very low	78 Å²	78	108.5 Å²	108.5	55%	0.545	61%	0.606	S	S	.	*			trans	-154.4	161.4	177.6	65.5	0	0	0	0	112.8	A718	S132-A718 PolarHBondContact N-O 3.46Å; S132-A718 WeakPolarHBondContact O-CB 3.33Å
133	E	44.9	Very low	41.7	Very low	135 Å²	135	113.5 Å²	113.5	63%	0.631	62%	0.62	S	S	*	*			cis	-157.6	-177.6	6.1	-144.8	-148.3	113.1	0	0	114.1	E716	E133-E716 WeakPolarHBondContact O-CB 3.08Å; E133-E716 WeakPolarHBondContact O-CG 3.03Å
134	S	46.1	Very low	41.4	Very low	77 Å²	77	107.6 Å²	107.6	54%	0.538	61%	0.613	S	S	.	*			trans	81.2	49.7	136.3	76.4	0	0	0	0	128.5
135	K	42.2	Very low	41.4	Very low	169 Å²	169	104.1 Å²	104.1	74%	0.735	62%	0.618	S	S	*	*			trans	50.5	164.2	152.2	-66.1	169.5	-178.2	167.4	0	122.4	K715 E716	K135-K715 PolarHBondContact O-NZ 2.91Å; K135-E716 WeakPolarHBondContact CA-OE1 3.34Å; K135-E716 PolarHBondContact N-OE1 3.43Å
136	G	36.5	Very low	41.4	Very low	19 Å²	19	103.9 Å²	103.9	20%	0.196	62%	0.622	C	S	.	*			trans	112.6	42.2	162	0	0	0	0	0	135.8	P713 P714	G136-P713 CarbonylContact O-C 3.25Å; G136-P713 WeakPolarHBondContact O-CA 3.43Å; G136-P714 WeakPolarHBondContact CA-O 3.1Å; G136-P714 PolarHBondContact N-O 2.94Å; G136-P714 WeakPolarHBondContact O-CB 3.29Å; G136-P714 WeakPolarHBondContact O-CD 3.19Å; G136-P714 WeakPolarHBondContact O-CG 3.28Å; G136-P714 VanDerWaalsContact O-N 3.15Å
137	A	41.1	Very low	41.8	Very low	45 Å²	45	99.7 Å²	99.7	37%	0.372	61%	0.613	S	S	.	*			cis	67.7	56.9	10.2	0	0	0	0	0	126.6	E712 P713 P714	A137-E712 WeakPolarHBondContact CA-OE1 3.28Å; A137-E712 HydrophobicContact CB-CG 4.43Å; A137-E712 VanDerWaalsContact CB-OE1 3.27Å; A137-E712 WeakPolarHBondContact CB-OE1 3.19Å; A137-P713 VanDerWaalsContact C-C 3.4Å; A137-P713 CarbonylContact C-O 3.6Å; A137-P714 HydrophobicContact CB-CB 3.95Å
138	A	38.6	Very low	41.6	Very low	38 Å²	38	101 Å²	101	31%	0.314	61%	0.608	S	S	.	*			trans	-91.8	175.9	160.8	0	0	0	0	0	111.8	A711 E712 P713	A138-A711 CarbonylContact C-O 3.12Å; A138-A711 VanDerWaalsContact O-O 3.06Å; A138-E712 VanDerWaalsContact N-CA 3.33Å; A138-P713 PolarHBondContact N-O 3.29Å
139	A	42.1	Very low	41.4	Very low	69 Å²	69	95.4 Å²	95.4	57%	0.57	59%	0.589	S	S	*	*			cis	97	148.9	27.1	0	0	0	0	0	114.5
140	P	50.6	Low	41.3	Very low	97 Å²	97	92.1 Å²	92.1	63%	0.63	59%	0.589	S	S	*	*				-142.5	-151.6	-104	40.9	-19.4	0	0	0	115.1
141	T	36	Very low	41.2	Very low	122 Å²	122	97.6 Å²	97.6	75%	0.748	61%	0.606	S	S	*	*			trans	71.2	160.9	166.3	37.3	0	0	0	0	116
142	A	40.8	Very low	41.5	Very low	83 Å²	83	97 Å²	97	69%	0.686	61%	0.613	S	S	*	*			cis	-137.5	-140.3	11.2	0	0	0	0	0	113.8
143	E	40.1	Very low	41.4	Very low	187 Å²	187	98.3 Å²	98.3	87%	0.874	62%	0.622	S	S	*	*			trans	-48.3	172.5	172.2	-81	112.4	130.8	0	0	116.5
144	G	34.9	Very low	41.2	Very low	64 Å²	64	100.9 Å²	100.9	66%	0.66	63%	0.631	S	S	*	*			cis	142.4	169.6	-0.4	0	0	0	0	0	111.9
145	A	39.4	Very low	41.2	Very low	111 Å²	111	105.1 Å²	105.1	92%	0.917	64%	0.64	S	S	*	*			trans	64.5	168.2	-175.7	0	0	0	0	0	117.2
146	A	40.6	Very low	41.3	Very low	91 Å²	91	103.1 Å²	103.1	75%	0.752	64%	0.642	S	S	*	*			trans	-134	-154.9	174.4	0	0	0	0	0	105.6
147	P	49.5	Very low	41.5	Very low	84 Å²	84	110 Å²	110	55%	0.545	67%	0.666	S	S	.	*			cis	-141.5	178.5	9.3	42.2	-22.5	0	0	0	117.1	P703	P147-P703 WeakPolarHBondContact O-CB 2.92Å; P147-P703 WeakPolarHBondContact O-CD 2.86Å; P147-P703 WeakPolarHBondContact O-CG 3.03Å
148	E	39.4	Very low	41.7	Very low	130 Å²	130	115.8 Å²	115.8	61%	0.607	68%	0.683	S	S	*	*			trans	98.3	-143.6	146.1	-118.4	-174.7	106.6	0	0	122.8
149	V	38.8	Very low	42	Very low	67 Å²	67	121.4 Å²	121.4	41%	0.406	70%	0.7	S	S	.	*			trans	-93	169.6	-142.8	-142.2	0	0	0	0	118.4	A702	V149-A702 HydrophobicContact CB-CB 3.7Å; V149-A702 HydrophobicContact CG2-CB 3.78Å
150	A	38.2	Very low	42.2	Very low	77 Å²	77	125 Å²	125	64%	0.636	70%	0.703	S	S	*	*			trans	79.9	122.2	156.3	0	0	0	0	0	117.4
151	K	40.9	Very low	41.9	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	71%	0.707	S	S	*	*			cis	72.8	151	43.8	-61.6	177.1	-179.7	171.1	0	112.9
152	P	47.2	Very low	42.2	Very low	105 Å²	105	130 Å²	130	68%	0.682	71%	0.705	S	S	*	*			cis	-134.3	164.8	5.6	32.8	-11.9	0	0	0	117.7
153	S	41.1	Very low	42.2	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	71%	0.706	S	S	*	*			trans	25.8	131.1	138.3	-49.7	0	0	0	0	122.7
154	K	41.8	Very low	42.2	Very low	189 Å²	189	132 Å²	132	82%	0.822	71%	0.705	S	S	*	*			trans	-174.5	148.6	138.7	-88.7	130.5	-164.3	176.7	0	108.5
155	K	44.3	Very low	42.5	Very low	167 Å²	167	133.3 Å²	133.3	73%	0.726	70%	0.704	S	S	*	*			cis	-163.3	133.2	-8.2	-117.1	175.5	-178	176.3	0	111.7
156	T	44.6	Very low	42.5	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	70%	0.7	S	S	*	*			trans	69.2	167	146.1	64.3	0	0	0	0	118.5
157	K	41.4	Very low	42.4	Very low	163 Å²	163	138.5 Å²	138.5	71%	0.709	70%	0.704	S	S	*	*			cis	-160.2	123.6	25.6	-162.4	168	-176.8	177.2	0	116.6
158	K	46.2	Very low	41.9	Very low	168 Å²	168	143 Å²	143	73%	0.73	71%	0.714	S	S	*	*			trans	65	159.2	157	-69	-179.7	177.6	175.3	0	115.2
159	K	44.9	Very low	41.7	Very low	156 Å²	156	139 Å²	139	68%	0.678	71%	0.708	S	S	*	*			cis	-165.4	161.3	-10.3	-116.7	-176.4	178.8	179.9	0	106.5
160	K	44.5	Very low	41.7	Very low	145 Å²	145	139.7 Å²	139.7	63%	0.63	72%	0.721	S	S	*	*			cis	-168.2	153.6	-4.7	-155.1	-173.1	-178.7	-177.6	0	108.8
161	K	44.7	Very low	42.1	Very low	161 Å²	161	141.6 Å²	141.6	70%	0.7	73%	0.727	S	S	*	*			trans	57.5	138	152.7	-85.7	-178.8	167.9	-162.5	0	118.3
162	K	43.4	Very low	41.7	Very low	162 Å²	162	138 Å²	138	70%	0.704	73%	0.725	S	S	*	*			cis	-165.1	138.5	-12.1	-121.4	-170.7	170.2	-162.5	0	107.2
163	T	39.5	Very low	41.3	Very low	117 Å²	117	136.9 Å²	136.9	72%	0.718	73%	0.725	S	S	*	*				47.5	151.6	94.8	80.8	0	0	0	0	116
164	K	41.3	Very low	41.2	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	73%	0.727	S	S	*	*			cis	-82.1	-159.3	20.3	-151.7	-171.3	174.3	-178	0	112.1
165	S	40.7	Very low	41	Very low	92 Å²	92	139 Å²	139	64%	0.643	73%	0.727	S	S	*	*			cis	-159.5	165.9	-3.3	-14.5	0	0	0	0	107.5
166	K	40.5	Very low	40.5	Very low	193 Å²	193	134 Å²	134	84%	0.839	72%	0.723	S	S	*	*			cis	71.7	131.5	-0.1	-55.6	-162.3	174.9	-163.4	0	119.3
167	S	36.6	Very low	40.2	Very low	118 Å²	118	132.3 Å²	132.3	83%	0.825	72%	0.721	S	S	*	*			cis	-123.5	-151	6	-60.3	0	0	0	0	111
168	K	39.4	Very low	40.2	Very low	178 Å²	178	133.9 Å²	133.9	77%	0.774	73%	0.728	S	S	*	*			cis	-152.2	171.6	3.8	178	-109.1	145.6	-162.7	0	108.9	A170	K168-A170 PolarHBondContact NZ-O 2.9Å
169	G	35.5	Very low	40.2	Very low	46 Å²	46	131.1 Å²	131.1	47%	0.474	73%	0.727	S	S	.	*			trans	-65.5	170.5	174.4	0	0	0	0	0	115.6
170	A	38.9	Very low	39.9	Very low	82 Å²	82	127.7 Å²	127.7	68%	0.678	73%	0.728	S	S	*	*				67.2	149.2	50.2	0	0	0	0	0	113.6	K168	K168-A170 PolarHBondContact NZ-O 2.9Å
171	P	46.4	Very low	39.4	Very low	118 Å²	118	130.1 Å²	130.1	77%	0.766	74%	0.741	S	S	*	*			cis	-138.1	-177.2	-13.4	41.5	-24.3	0	0	0	116.1
172	S	33.3	Very low	39	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	74%	0.742	S	S	*	*			trans	70.3	163.6	144	-126.7	0	0	0	0	123
173	A	39.1	Very low	38.7	Very low	82 Å²	82	124 Å²	124	68%	0.678	74%	0.744	S	S	*	*			trans	67.4	143.1	162	0	0	0	0	0	117.7
174	E	38.6	Very low	38.4	Very low	164 Å²	164	124.9 Å²	124.9	77%	0.766	75%	0.75	S	S	*	*			cis	-158	-173.7	-21.7	-139	129.9	104.2	0	0	110.4
175	E	36.8	Very low	38.1	Very low	176 Å²	176	120.4 Å²	120.4	82%	0.822	75%	0.75	S	S	*	*			trans	-26.8	161.5	161.7	-94.7	162.9	95.8	0	0	118.8
176	G	34.7	Very low	38.1	Very low	62 Å²	62	120.5 Å²	120.5	64%	0.639	76%	0.756	S	S	*	*			cis	170.3	-176.4	2.4	0	0	0	0	0	113.7
177	A	37.3	Very low	39	Very low	89 Å²	89	117 Å²	117	74%	0.736	75%	0.752	S	S	*	*			trans	39.6	104.2	158.6	0	0	0	0	0	123
178	K	41.1	Very low	40	Very low	196 Å²	196	116.2 Å²	116.2	85%	0.852	75%	0.745	S	S	*	*			trans	-42.3	177	133.8	-85.1	-176	177.6	-173.9	0	115.3
179	P	47.9	Very low	40.3	Very low	111 Å²	111	117 Å²	117	72%	0.721	75%	0.751	S	S	*	*			cis	-141.2	-146	-31.7	41.3	-20.7	0	0	0	111.5
180	A	38.1	Very low	40.8	Very low	84 Å²	84	118 Å²	118	69%	0.694	76%	0.762	S	S	*	*			trans	71.8	153.4	163.6	0	0	0	0	0	115.2
181	E	34.8	Very low	41.2	Very low	195 Å²	195	119.4 Å²	119.4	91%	0.911	77%	0.773	S	S	*	*			cis	-171.9	162.8	-20.4	-107.8	175	-167.7	0	0	103.2
182	G	35.8	Very low	40.9	Very low	69 Å²	69	118 Å²	118	71%	0.711	77%	0.772	S	S	*	*			trans	133.3	95.9	-173.2	0	0	0	0	0	110.7
183	V	36.7	Very low	41.6	Very low	125 Å²	125	117.2 Å²	117.2	76%	0.758	77%	0.772	S	S	*	*			cis	86	111.5	45.2	-175.3	0	0	0	0	112.5
184	T	32	Very low	42.4	Very low	136 Å²	136	119.2 Å²	119.2	83%	0.834	78%	0.778	S	S	*	*			trans	69.8	169.5	161	57	0	0	0	0	120.9
185	A	36.8	Very low	42.7	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	78%	0.779	S	S	*	*			trans	80.1	106.7	168.8	0	0	0	0	0	118.7
186	A	40.9	Very low	43.6	Very low	93 Å²	93	114.9 Å²	114.9	77%	0.769	78%	0.777	S	S	*	*			trans	-92.3	-159.8	158	0	0	0	0	0	108.9
187	P	58	Low	44.1	Very low	119 Å²	119	116.2 Å²	116.2	77%	0.773	78%	0.782	S	S	*	*			cis	-121.4	-135.1	-22.2	36.9	-14.9	0	0	0	107.8
188	P	58.9	Low	44.6	Very low	103 Å²	103	120.7 Å²	120.7	67%	0.669	79%	0.788	S	S	*	*			cis	-130.9	-159.3	-22.8	28.2	-2.6	0	0	0	113.6
189	E	45.2	Very low	45.5	Very low	193 Å²	193	116.1 Å²	116.1	90%	0.902	78%	0.779	S	S	*	*			trans	76.3	141.8	162.5	-48.9	-161.7	126.2	0	0	119.3
190	G	45.6	Very low	45.9	Very low	68 Å²	68	115.5 Å²	115.5	70%	0.701	77%	0.774	S	S	*	*			cis	178	154.7	-8.2	0	0	0	0	0	114.8
191	A	46.2	Very low	46.6	Very low	111 Å²	111	119.8 Å²	119.8	92%	0.917	78%	0.777	S	S	*	*			trans	60.2	145.8	170.8	0	0	0	0	0	118.7
192	A	41.1	Very low	47.2	Very low	90 Å²	90	118.7 Å²	118.7	74%	0.744	77%	0.772	S	S	*	*			cis	-157	132.5	-15.9	0	0	0	0	0	106.4
193	A	48.7	Very low	47.5	Very low	95 Å²	95	118.8 Å²	118.8	79%	0.785	77%	0.773	S	S	*	*				66.7	143.5	74.7	0	0	0	0	0	115
194	P	55.5	Low	47.8	Very low	123 Å²	123	117.2 Å²	117.2	80%	0.799	77%	0.774	S	S	*	*			cis	-131.6	-176.7	-1.3	40.4	-21.7	0	0	0	117
195	T	45.8	Very low	48.3	Very low	129 Å²	129	120.1 Å²	120.1	79%	0.791	78%	0.777	S	S	*	*			trans	-80.4	-172.7	-180	41.6	0	0	0	0	113
196	P	54.9	Low	48.3	Very low	121 Å²	121	124.8 Å²	124.8	79%	0.786	78%	0.779	S	S	*	*			cis	-154.3	-171.1	26.6	46	-22.7	0	0	0	121.7
197	A	44.3	Very low	48.6	Very low	90 Å²	90	126 Å²	126	74%	0.744	78%	0.779	S	S	*	*			trans	89.3	76.9	151.4	0	0	0	0	0	121.7
198	E	48.8	Very low	47.8	Very low	182 Å²	182	125 Å²	125	85%	0.85	78%	0.78	S	S	*	*				14.7	168.4	102.8	-88.7	-153.1	117.7	0	0	122.1
199	P	59.3	Low	46.7	Very low	101 Å²	101	126.9 Å²	126.9	66%	0.656	79%	0.791	S	S	*	*			cis	-139.8	-148.6	-20.8	34.3	-9.6	0	0	0	112.8
200	P	57.5	Low	46.4	Very low	97 Å²	97	124.6 Å²	124.6	63%	0.63	79%	0.789	S	S	*	*				-133	-164.9	-74.9	41.1	-23.3	0	0	0	115
201	K	50.9	Low	46.2	Very low	175 Å²	175	126.9 Å²	126.9	76%	0.761	80%	0.795	S	S	*	*			trans	75.8	148	157	-67.8	170.5	175.7	-174.4	0	117.9
202	E	48.7	Very low	45.9	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	80%	0.797	S	S	*	*			cis	-157.8	174.8	-11.4	-123.9	169.8	110.2	0	0	110.5
203	G	41.2	Very low	45.8	Very low	71 Å²	71	137.6 Å²	137.6	73%	0.732	80%	0.804	S	S	*	*			trans	117.4	92.6	152.6	0	0	0	0	0	120.3
204	A	43.1	Very low	45.3	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	80%	0.801	S	S	*	*			trans	63.8	114.4	136	0	0	0	0	0	124
205	E	42.8	Very low	44.4	Very low	196 Å²	196	140.6 Å²	140.6	92%	0.916	81%	0.807	S	S	*	*				79.4	85.2	126.8	-58.4	-164.6	142.9	0	0	123.2
206	K	37.8	Very low	44	Very low	199 Å²	199	144.5 Å²	144.5	87%	0.865	81%	0.812	S	S	*	*			trans	-75.9	-174.1	142.2	-75.9	169.9	-177	163	0	110.7
207	P	47.4	Very low	43.3	Very low	120 Å²	120	145.7 Å²	145.7	78%	0.779	82%	0.818	S	S	*	*			cis	-134.8	-166.7	-44.4	37.1	-19.1	0	0	0	112
208	A	41.1	Very low	43	Very low	96 Å²	96	151.5 Å²	151.5	79%	0.793	83%	0.826	S	S	*	*				163.3	158.8	122.4	0	0	0	0	0	112.8
209	T	34.5	Very low	42.8	Very low	144 Å²	144	152.8 Å²	152.8	88%	0.883	83%	0.829	S	S	*	*			trans	-123	135.3	-172.7	62.6	0	0	0	0	114.7
210	V	39.9	Very low	41.9	Very low	144 Å²	144	157.5 Å²	157.5	87%	0.873	84%	0.839	S	S	*	*			trans	-91.4	129.9	-177.1	-179.2	0	0	0	0	112.8
211	S	41.2	Very low	41.3	Very low	117 Å²	117	161.4 Å²	161.4	82%	0.818	85%	0.846	S	S	*	*			trans	-60.8	131	179.6	-89.3	0	0	0	0	115.3	K213	S211-K213 PolarHBondContact O-N 3.34Å
212	K	38.7	Very low	41.2	Very low	220 Å²	220	161.1 Å²	161.1	96%	0.957	85%	0.845	S	S	*	*			trans	-88.2	96.4	174.4	-81.9	171.4	178.8	155.5	0	112.9
213	K	40.2	Very low	41.1	Very low	205 Å²	205	157 Å²	157	89%	0.891	82%	0.824	S	S	*	*			trans	-130.6	136.6	172.8	-162.9	172	-175.2	175.1	0	113.9	S211	S211-K213 PolarHBondContact O-N 3.34Å
214	G	37.6	Very low	41.4	Very low	70 Å²	70	157.7 Å²	157.7	72%	0.722	82%	0.818	S	S	*	*			trans	71.6	75.7	141.4	0	0	0	0	0	120.3	K216	G214-K216 PolarHBondContact O-N 2.9Å
215	K	36	Very low	41.8	Very low	212 Å²	212	159.7 Å²	159.7	92%	0.922	81%	0.809	S	S	*	*			trans	-34.4	128.5	160.5	-63.6	170.6	177.7	172.5	0	114.5
216	K	38.9	Very low	41.9	Very low	210 Å²	210	156.6 Å²	156.6	91%	0.913	79%	0.793	S	S	*	*			trans	-136	131.6	148.5	-79.4	-174	-179.2	170.1	0	111.4	G214	G214-K216 PolarHBondContact O-N 2.9Å
217	T	39.3	Very low	42.2	Very low	146 Å²	146	150.2 Å²	150.2	90%	0.896	78%	0.777	S	S	*	*			trans	-89.9	117.7	177.8	48.3	0	0	0	0	111.4
218	K	38.7	Very low	42.2	Very low	212 Å²	212	150 Å²	150	92%	0.922	77%	0.773	S	S	*	*			trans	-84.9	175.8	169.8	-162.8	168.8	-177.1	174.2	0	110.8
219	K	43.2	Very low	42.6	Very low	210 Å²	210	150 Å²	150	91%	0.913	77%	0.766	S	S	*	*			trans	104.6	105.9	151.4	-150.6	164.5	-165.9	164.5	0	117.7
220	K	40.8	Very low	43.3	Very low	200 Å²	200	149 Å²	149	87%	0.87	76%	0.759	S	S	*	*			trans	-134.2	104.7	155.5	-171.4	177.7	179.5	-174.4	0	109.5
221	K	45.8	Very low	43.4	Very low	178 Å²	178	150.9 Å²	150.9	77%	0.774	76%	0.759	S	S	*	*			trans	37.4	122.1	138.8	-81.1	-169.5	170.7	-173.8	0	119.6
222	K	48.1	Very low	43.6	Very low	170 Å²	170	148.6 Å²	148.6	74%	0.739	75%	0.753	S	S	*	*				78.5	146.1	77.8	-87.6	-161.2	169.8	-173.6	0	113.4
223	K	47.5	Very low	43.8	Very low	83 Å²	83	143.9 Å²	143.9	36%	0.361	75%	0.748	S	S	.	*			cis	-160	-161.3	5.1	-140.9	-166.9	174.7	-163.3	0	111.3	E925	K223-E925 WeakPolarHBondContact CD-O 3.07Å; K223-E925 WeakPolarHBondContact CE-O 3.36Å; K223-E925 WeakPolarHBondContact CG-O 3.04Å; K223-E925 VanDerWaalsContact NZ-CA 3.27Å; K223-E925 PolarHBondContact NZ-O 2.84Å; K223-E925 IonicContact NZ-OE1 2.68Å; K223-E925 PolarHBondContact NZ-OE1 2.77Å; K223-E925 IonicContact NZ-OE2 2.7Å; K223-E925 PolarHBondContact NZ-OE2 3.19Å
224	S	47.2	Very low	44.6	Very low	86 Å²	86	139.7 Å²	139.7	60%	0.601	74%	0.742	S	S	*	*	B	Isolated β-bridge	trans	95.4	155.8	174.9	-49.6	0	0	0	0	114.5	A927	S224-A927 CarbonylContact C-O 3.6Å; S224-A927 CarbonylContact O-C 3.35Å; S224-A927 PolarHBondContact O-N 3Å
225	K	51	Low	45.4	Very low	135 Å²	135	142.4 Å²	142.4	59%	0.587	75%	0.746	S	S	*	*			cis	-160	122.1	-48.6	-178.6	-96.2	178.2	-155.7	0	113.3	G926 A927	K225-G926 CarbonylContact C-O 3.58Å; K225-A927 PolarHBondContact N-O 3.09Å
226	K	44.3	Very low	45.9	Very low	132 Å²	132	136.8 Å²	136.8	57%	0.574	74%	0.739	S	S	*	*			trans	-79.8	156.2	175.7	-175.2	162.7	177.9	-172.7	0	112.8	V228 G926 A927	K226-V228 WeakPolarHBondContact CE-O 3.13Å; K226-V228 PolarHBondContact NZ-O 3.04Å; K226-G926 PolarHBondContact N-O 3.44Å; K226-A927 VanDerWaalsContact CA-CB 3.47Å; K226-A927 HydrophobicContact CB-CB 3.73Å
227	A	44.6	Very low	46.1	Very low	65 Å²	65	133.6 Å²	133.6	54%	0.537	73%	0.728	S	S	.	*			trans	-121.4	121.3	152.5	0	0	0	0	0	110.7
228	V	48.1	Very low	46.4	Very low	114 Å²	114	130.6 Å²	130.6	69%	0.691	72%	0.718	S	S	*	*			trans	57.3	172.7	138.8	-107.8	0	0	0	0	121.6	K226	K226-V228 WeakPolarHBondContact CE-O 3.13Å; K226-V228 PolarHBondContact NZ-O 3.04Å
229	P	49.6	Very low	46.9	Very low	98 Å²	98	125 Å²	125	64%	0.636	71%	0.712	S	S	*	*				-134.2	-148.3	-121.3	48.2	-27.4	0	0	0	115.5
230	T	47.5	Very low	47.2	Very low	121 Å²	121	120.7 Å²	120.7	74%	0.742	71%	0.705	S	S	*	*			trans	69.5	142	171.6	24.5	0	0	0	0	115.7
231	E	43.4	Very low	47.5	Very low	185 Å²	185	116 Å²	116	86%	0.864	70%	0.703	S	S	*	*			cis	-154.6	158.6	2.7	-168.7	159.9	-150.2	0	0	111.7
232	G	44.3	Very low	47.5	Very low	68 Å²	68	112 Å²	112	70%	0.701	70%	0.703	S	S	*	*			trans	69.1	157.9	176.5	0	0	0	0	0	116.7
233	S	43.7	Very low	48.1	Very low	121 Å²	121	109.5 Å²	109.5	85%	0.846	70%	0.704	S	S	*	*			cis	-153.7	169.7	-20.9	-106.5	0	0	0	0	109
234	P	57.2	Low	48.3	Very low	118 Å²	118	111.2 Å²	111.2	77%	0.766	72%	0.724	S	S	*	*			trans	-115.7	-150.2	-144.8	36	-19.2	0	0	0	115.6
235	P	54.5	Low	48.3	Very low	126 Å²	126	111.2 Å²	111.2	82%	0.818	73%	0.729	S	S	*	*				-129.9	176.8	-73.8	38.6	-23.7	0	0	0	115.5
236	A	45.1	Very low	48.2	Very low	94 Å²	94	114.1 Å²	114.1	78%	0.777	75%	0.745	S	S	*	*			trans	-155.4	142.6	159.2	0	0	0	0	0	114.2
237	E	43.3	Very low	48	Very low	144 Å²	144	111.3 Å²	111.3	67%	0.673	75%	0.753	S	S	*	*			trans	35	118.7	158.3	-61.5	-164.8	108.2	0	0	121.6	A562	E237-A562 HydrophobicContact CG-CB 4.36Å
238	A	46.4	Very low	48.2	Very low	83 Å²	83	113 Å²	113	69%	0.686	77%	0.768	S	S	*	*				81.6	110	69.1	0	0	0	0	0	114.1
239	A	50.1	Low	48.8	Very low	95 Å²	95	113.2 Å²	113.2	79%	0.785	77%	0.771	S	S	*	*				89.1	164.5	69.7	0	0	0	0	0	113.1
240	P	49.8	Very low	48.9	Very low	119 Å²	119	114 Å²	114	77%	0.773	78%	0.776	S	S	*	*			cis	-136.5	176.8	-8.5	42.9	-26	0	0	0	117.1
241	A	45.1	Very low	48.9	Very low	100 Å²	100	111.4 Å²	111.4	83%	0.826	77%	0.767	S	S	*	*			trans	69.3	160	140.3	0	0	0	0	0	125.1
242	A	47.6	Very low	49.1	Very low	94 Å²	94	111.7 Å²	111.7	78%	0.777	77%	0.768	S	S	*	*			trans	-132.2	-142.9	173.7	0	0	0	0	0	107.8
243	P	60.2	Low	49.1	Very low	118 Å²	118	111.9 Å²	111.9	77%	0.766	77%	0.771	S	S	*	*			cis	-126.9	-154.6	5.4	44.4	-22.9	0	0	0	111.7
244	P	50.9	Low	49.4	Very low	119 Å²	119	111 Å²	111	77%	0.773	77%	0.77	S	S	*	*				-138	-173.2	56.5	38.3	-17.4	0	0	0	115.6
245	A	47.6	Very low	49.2	Very low	87 Å²	87	111.6 Å²	111.6	72%	0.719	78%	0.775	S	S	*	*			trans	-74.7	-168.4	171	0	0	0	0	0	111.5
246	E	48	Very low	49	Very low	195 Å²	195	110 Å²	110	91%	0.911	77%	0.772	S	S	*	*			cis	-161.8	-167	17.5	-149.2	-177.2	144.7	0	0	109.5
247	G	41.1	Very low	49.5	Very low	73 Å²	73	110.1 Å²	110.1	75%	0.753	77%	0.773	S	S	*	*			trans	115.2	92.9	160.3	0	0	0	0	0	117.6
248	A	49.7	Very low	50.1	Low	101 Å²	101	109.1 Å²	109.1	84%	0.835	78%	0.779	S	S	*	*			trans	-46.5	173.9	-180	0	0	0	0	0	120.5
249	P	59.4	Low	50.3	Low	118 Å²	118	111.2 Å²	111.2	77%	0.766	79%	0.785	S	S	*	*			trans	-102.1	-163.8	-173	45.2	-36.5	0	0	0	112.3
250	P	51.3	Low	50	Low	114 Å²	114	110.8 Å²	110.8	74%	0.74	78%	0.782	S	S	*	*				-152	-166.9	69.5	39	-15.5	0	0	0	116.5
251	A	47.7	Very low	49.9	Very low	67 Å²	67	114.5 Å²	114.5	55%	0.554	79%	0.789	S	S	*	*			trans	88.5	132.4	141.9	0	0	0	0	0	124	K525	A251-K525 PolarHBondContact O-NZ 2.66Å
252	E	47.8	Very low	49.9	Very low	191 Å²	191	113 Å²	113	89%	0.893	78%	0.784	S	S	*	*			trans	63.7	134	145	-71.2	-167	111.8	0	0	124.7
253	G	44.1	Very low	49.9	Very low	73 Å²	73	113.8 Å²	113.8	75%	0.753	79%	0.79	S	S	*	*			trans	99.1	83.6	142.4	0	0	0	0	0	117.3
254	A	51.2	Low	49.4	Very low	101 Å²	101	112.7 Å²	112.7	84%	0.835	79%	0.791	S	S	*	*				87.1	144.6	67.3	0	0	0	0	0	115
255	P	52.7	Low	49.6	Very low	132 Å²	132	113 Å²	113	86%	0.857	79%	0.793	S	S	*	*			trans	-130.8	-145.2	-138.7	44.1	-27.3	0	0	0	116.7
256	A	51	Low	49.4	Very low	93 Å²	93	113.6 Å²	113.6	77%	0.769	80%	0.798	S	S	*	*			trans	86	113.7	-178.1	0	0	0	0	0	116.2
257	A	54	Low	49.5	Very low	95 Å²	95	112.9 Å²	112.9	79%	0.785	79%	0.794	S	S	*	*				81.2	132	57.1	0	0	0	0	0	113.2
258	P	55.7	Low	50.3	Low	124 Å²	124	115.2 Å²	115.2	81%	0.805	80%	0.796	S	S	*	*				-155.6	-164.4	90.5	44.3	-26.3	0	0	0	114.2
259	P	51.5	Low	50.6	Low	126 Å²	126	115.2 Å²	115.2	82%	0.818	79%	0.788	S	S	*	*			cis	-124.3	176.6	-36.4	32	-14.5	0	0	0	113.4
260	A	43.1	Very low	50	Low	86 Å²	86	118 Å²	118	71%	0.711	79%	0.788	S	S	*	*			trans	-136.1	153.6	168.7	0	0	0	0	0	113.8
261	E	49.4	Very low	49.5	Very low	197 Å²	197	120.4 Å²	120.4	92%	0.921	79%	0.789	S	S	*	*			trans	63.5	169.4	149.4	-69.6	178	122.3	0	0	124
262	G	44.9	Very low	49.1	Very low	70 Å²	70	120.8 Å²	120.8	72%	0.722	80%	0.8	S	S	*	*			trans	87.2	70.6	180	0	0	0	0	0	114.7
263	A	47	Very low	48.9	Very low	110 Å²	110	115.7 Å²	115.7	91%	0.909	79%	0.79	S	S	*	*				81.8	157.1	80.4	0	0	0	0	0	114.7
264	A	48.6	Very low	48.7	Very low	94 Å²	94	121.2 Å²	121.2	78%	0.777	80%	0.797	S	S	*	*			trans	-137.2	-159.3	-167.1	0	0	0	0	0	109
265	P	55	Low	48.2	Very low	127 Å²	127	120.1 Å²	120.1	83%	0.825	79%	0.787	S	S	*	*			cis	-133.9	-135.3	-6.5	42.2	-21.1	0	0	0	112.7
266	A	45.2	Very low	47.8	Very low	99 Å²	99	118.8 Å²	118.8	82%	0.818	79%	0.787	S	S	*	*			trans	92.6	112.6	169.5	0	0	0	0	0	119.4
267	E	49.9	Very low	47.4	Very low	180 Å²	180	118.9 Å²	118.9	84%	0.841	79%	0.788	S	S	*	*			trans	-87.3	179.5	158.6	-96.2	-177.9	150.5	0	0	109.1
268	P	57.6	Low	46.8	Very low	122 Å²	122	119.2 Å²	119.2	79%	0.792	79%	0.791	S	S	*	*			cis	-135.7	-177	28	30.5	-4.7	0	0	0	117
269	P	56	Low	46.1	Very low	100 Å²	100	117 Å²	117	65%	0.649	78%	0.783	S	S	*	*			trans	-122.8	-169.5	-164	43.5	-30.9	0	0	0	115.6
270	K	46.8	Very low	45.7	Very low	176 Å²	176	114 Å²	114	77%	0.765	77%	0.769	S	S	*	*			trans	83.5	163.5	-176.6	-47.3	170.2	179.7	-175.9	0	113
271	E	41.1	Very low	45.9	Very low	165 Å²	165	115 Å²	115	77%	0.771	76%	0.758	S	S	*	*			cis	-142.5	164	1.1	-154.3	122.9	-128.2	0	0	110.1
272	G	39.3	Very low	46	Very low	76 Å²	76	108.5 Å²	108.5	78%	0.784	73%	0.733	S	S	*	*			trans	66.9	-179.4	176.4	0	0	0	0	0	115.4
273	A	41.9	Very low	46	Very low	84 Å²	84	109.6 Å²	109.6	69%	0.694	73%	0.729	S	S	*	*			cis	-152.1	144.8	-19.4	0	0	0	0	0	108.7
274	E	39.9	Very low	45.7	Very low	189 Å²	189	111.8 Å²	111.8	88%	0.883	72%	0.718	S	S	*	*			trans	58.4	173.3	148.9	-68.8	-172	118.7	0	0	119.8
275	A	41.2	Very low	45.5	Very low	77 Å²	77	116.2 Å²	116.2	64%	0.636	72%	0.72	S	S	*	*			cis	-158.7	174	-43.4	0	0	0	0	0	108.3
276	A	45	Very low	45	Very low	104 Å²	104	116.1 Å²	116.1	86%	0.86	72%	0.717	S	S	*	*			trans	62.8	164.6	165.7	0	0	0	0	0	116.2
277	A	41.5	Very low	44.8	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	71%	0.713	S	S	*	*			cis	-170.5	167.7	-28.1	0	0	0	0	0	106.5
278	A	42.6	Very low	44.6	Very low	102 Å²	102	115.5 Å²	115.5	84%	0.843	69%	0.693	S	S	*	*			cis	-164.5	159.2	-31.4	0	0	0	0	0	107.3
279	A	40.8	Very low	44.1	Very low	78 Å²	78	115.7 Å²	115.7	65%	0.645	68%	0.681	S	S	*	*			trans	-161.6	145.1	164.5	0	0	0	0	0	111	P789	A279-P789 CarbonylContact C-O 3.23Å
280	A	43.2	Very low	43.7	Very low	64 Å²	64	117.9 Å²	117.9	53%	0.529	68%	0.681	S	S	.	*			trans	-142.3	166.1	-151.5	0	0	0	0	0	113.6	P789	A280-P789 CarbonylContact C-O 3.41Å; A280-P789 VanDerWaalsContact C-O 3.25Å; A280-P789 WeakPolarHBondContact CA-O 3.41Å; A280-P789 PolarHBondContact N-O 2.66Å
281	K	47	Very low	43.6	Very low	106 Å²	106	117.8 Å²	117.8	46%	0.461	68%	0.68	S	S	.	*	B	Isolated β-bridge	cis	-132.7	-82.2	-4.9	-125.9	171.5	-163.6	-161.8	0	114.9	E787 L788 P789 M790	K281-E787 WeakPolarHBondContact CD-OE2 3.23Å; K281-E787 WeakPolarHBondContact CE-OE2 3.25Å; K281-E787 IonicContact NZ-OE2 2.65Å; K281-E787 PolarHBondContact NZ-OE2 3.08Å; K281-L788 CarbonylContact C-O 3.11Å; K281-L788 VanDerWaalsContact C-O 3.23Å; K281-L788 WeakPolarHBondContact CA-O 2.91Å; K281-L788 WeakPolarHBondContact CG-O 3.12Å; K281-L788 CarbonylContact O-C 2.82Å; K281-P789 CarbonylContact O-C 3.2Å; K281-P789 VanDerWaalsContact O-CA 3.23Å; K281-P789 WeakPolarHBondContact O-CA 3.03Å; K281-M790 VanDerWaalsContact N-CB 3.28Å; K281-M790 PolarHBondContact O-N 3.33Å
282	P	50.6	Low	43.7	Very low	61 Å²	61	118.7 Å²	118.7	40%	0.396	68%	0.682	S	S	.	*			trans	-82.7	-178	-153	-12.2	33.2	0	0	0	115.8
283	S	46.5	Very low	43.8	Very low	93 Å²	93	124.7 Å²	124.7	65%	0.65	69%	0.686	S	S	*	*			cis	-154.3	135.8	21.4	26.5	0	0	0	0	111.4
284	K	40.3	Very low	43.7	Very low	156 Å²	156	124.3 Å²	124.3	68%	0.678	68%	0.679	S	S	*	*				68	134.1	83.6	-60.6	171.5	-178.8	-177.3	0	112.5
285	K	44.5	Very low	43.9	Very low	187 Å²	187	123.4 Å²	123.4	81%	0.813	67%	0.672	S	S	*	*			cis	-158.7	134.4	38.6	-128.3	165.9	-175.6	-179.4	0	113.3
286	T	43.2	Very low	43.9	Very low	124 Å²	124	125.8 Å²	125.8	76%	0.761	67%	0.668	S	S	*	*			trans	54.9	153.9	141.1	54.7	0	0	0	0	122.3
287	K	41.9	Very low	43.5	Very low	170 Å²	170	124.1 Å²	124.1	74%	0.739	65%	0.65	S	S	*	*			cis	-162.6	164.5	16.1	-137.1	174.3	-179	174.6	0	112.6	P782	K287-P782 HydrophobicContact CG-CB 4.46Å
288	K	46.4	Very low	43.3	Very low	97 Å²	97	123.5 Å²	123.5	42%	0.422	64%	0.637	S	S	.	*			trans	83.1	70.9	149.1	-66.8	-154.4	155.3	-169.8	0	126.1	A781 P782	K288-A781 HydrophobicContact CD-CB 3.75Å; K288-A781 HydrophobicContact CG-CB 4.31Å; K288-P782 HydrophobicContact CG-CB 4.3Å
289	K	47.1	Very low	43	Very low	125 Å²	125	126.1 Å²	126.1	54%	0.543	63%	0.629	S	S	.	*			trans	54.8	-177.7	140.1	-113.1	-165.7	-150.6	131.5	0	118.6	P780 A781 P782	K289-P780 WeakPolarHBondContact CB-O 3.37Å; K289-A781 WeakPolarHBondContact CD-O 3.36Å; K289-A781 WeakPolarHBondContact CE-O 3.44Å; K289-A781 WeakPolarHBondContact CG-O 3.42Å; K289-A781 PolarHBondContact NZ-O 3.39Å; K289-P782 WeakPolarHBondContact CE-O 3.41Å; K289-P782 PolarHBondContact NZ-O 3.22Å
290	K	46.4	Very low	43	Very low	147 Å²	147	130 Å²	130	64%	0.639	63%	0.633	S	S	*	*			cis	-137.6	161.8	-4.2	-167.2	159.8	-171.4	-173.3	0	111.8
291	K	44.8	Very low	43	Very low	174 Å²	174	135.1 Å²	135.1	76%	0.757	64%	0.644	S	S	*	*			trans	19.8	117.5	165.9	-76.9	-177.5	176.3	-177.6	0	118.4
292	K	44.4	Very low	43	Very low	183 Å²	183	135.4 Å²	135.4	80%	0.796	66%	0.657	S	S	*	*				59.1	114.9	93.2	-72.5	-177	177.1	178.4	0	112.6
293	K	40.6	Very low	42.4	Very low	202 Å²	202	135.2 Å²	135.2	88%	0.878	66%	0.66	S	S	*	*				57.8	131.8	79.9	-65.1	179.4	178.1	175.6	0	111
294	S	40.3	Very low	42	Very low	77 Å²	77	138.6 Å²	138.6	54%	0.538	67%	0.666	S	S	.	*			cis	-170.6	157.3	37.6	76.5	0	0	0	0	116.5
295	K	43.6	Very low	42.4	Very low	169 Å²	169	137.3 Å²	137.3	74%	0.735	67%	0.673	S	S	*	*			trans	68.1	170.1	145.1	-69.5	163.9	-169.4	169.4	0	117.7
296	K	40.3	Very low	42.2	Very low	127 Å²	127	132 Å²	132	55%	0.552	67%	0.665	S	S	*	*			cis	-179.1	125.6	-39	174.2	169.8	165.5	-86.2	0	109.8	S1252 K1253 K1254	K296-S1252 PolarHBondContact NZ-O 2.69Å; K296-S1252 CarbonylContact O-C 3.25Å; K296-K1253 CarbonylContact O-C 3.14Å; K296-K1253 VanDerWaalsContact O-C 3.25Å; K296-K1253 WeakPolarHBondContact O-CA 3.45Å; K296-K1253 PolarHBondContact O-N 2.79Å; K296-K1254 PolarHBondContact O-N 2.69Å
297	S	38.3	Very low	42.6	Very low	69 Å²	69	131.3 Å²	131.3	48%	0.483	66%	0.662	S	S	.	*			trans	60.3	162.2	171.7	87.5	0	0	0	0	116.5	S1252	S297-S1252 VanDerWaalsContact OG-C 3.31Å; S297-S1252 PolarHBondContact OG-N 2.75Å; S297-S1252 PolarHBondContact OG-O 2.68Å
298	T	36.9	Very low	42.8	Very low	83 Å²	83	129.1 Å²	129.1	51%	0.509	67%	0.665	S	S	.	*			cis	-158.4	153.4	23.9	-21.5	0	0	0	0	111.9
299	K	36.4	Very low	42.4	Very low	157 Å²	157	127.9 Å²	127.9	68%	0.683	67%	0.673	S	S	*	*			trans	13.8	113.7	142.5	173.8	-159.9	166.8	-73.8	0	117.4
300	E	41.2	Very low	41.8	Very low	158 Å²	158	131.3 Å²	131.3	74%	0.738	69%	0.691	S	S	*	*				-165.6	-175.1	130	-133.5	58.1	-93.1	0	0	110
301	K	41.9	Very low	41.2	Very low	172 Å²	172	127.4 Å²	127.4	75%	0.748	69%	0.692	S	S	*	*			trans	-123.8	123.1	-178.9	172	-114.5	-174.5	-163.6	0	110.4	A303	K301-A303 HydrophobicContact CD-CB 4.16Å; K301-A303 VanDerWaalsContact CE-CB 3.47Å
302	P	47	Very low	41	Very low	113 Å²	113	124.3 Å²	124.3	73%	0.734	70%	0.699	S	S	*	*			trans	-120.6	155.6	136.2	5.4	16.4	0	0	0	109.5
303	A	38.2	Very low	40.7	Very low	57 Å²	57	119.8 Å²	119.8	47%	0.471	70%	0.696	S	S	.	*			cis	54.7	89.2	4.1	0	0	0	0	0	115.5	K301	K301-A303 HydrophobicContact CD-CB 4.16Å; K301-A303 VanDerWaalsContact CE-CB 3.47Å
304	E	38.8	Very low	41.5	Very low	164 Å²	164	116 Å²	116	77%	0.766	69%	0.692	S	S	*	*			trans	65	101.4	131.5	-166.6	173.5	-178.7	0	0	117.8	A306	E304-A306 HydrophobicContact CG-CB 4.41Å
305	P	47.9	Very low	42	Very low	129 Å²	129	117.6 Å²	117.6	84%	0.838	70%	0.701	S	S	*	*			trans	-81.1	131.5	144.5	33.4	-26.5	0	0	0	109.2
306	A	40.3	Very low	42	Very low	76 Å²	76	113.9 Å²	113.9	63%	0.628	70%	0.702	S	S	*	*			trans	-107.7	-141.3	-179.9	0	0	0	0	0	111.3	E304	E304-A306 HydrophobicContact CG-CB 4.41Å
307	P	51.5	Low	42.2	Very low	109 Å²	109	116.9 Å²	116.9	71%	0.708	72%	0.718	S	S	*	*			trans	-82.2	176.1	-138.9	43.4	-42.7	0	0	0	114.3
308	P	46.3	Very low	42.3	Very low	124 Å²	124	116.8 Å²	116.8	81%	0.805	73%	0.728	S	S	*	*				-104.9	146.7	78.2	-10.2	29.6	0	0	0	112.5
309	A	37.6	Very low	42.6	Very low	71 Å²	71	117.5 Å²	117.5	59%	0.587	74%	0.742	S	S	*	*				63.1	110.9	64.2	0	0	0	0	0	109.6
310	E	34.9	Very low	43.1	Very low	196 Å²	196	114.5 Å²	114.5	92%	0.916	75%	0.746	S	S	*	*				61.6	111.5	76.3	-175.9	179.4	-132.3	0	0	109.8
311	G	34.8	Very low	43.4	Very low	65 Å²	65	113.2 Å²	113.2	67%	0.67	75%	0.752	S	S	*	*			cis	-171.6	-153.8	0.7	0	0	0	0	0	109.6
312	A	39.5	Very low	43.8	Very low	109 Å²	109	109.4 Å²	109.4	90%	0.901	75%	0.753	S	S	*	*			trans	63.9	160.2	177	0	0	0	0	0	117.4
313	A	38.7	Very low	44.6	Very low	89 Å²	89	109.8 Å²	109.8	74%	0.736	76%	0.755	S	S	*	*			trans	-120.5	-165.5	170.5	0	0	0	0	0	106.4
314	P	56.2	Low	45.5	Very low	122 Å²	122	113.2 Å²	113.2	79%	0.792	77%	0.773	S	S	*	*			cis	-122.5	-109.3	-5.6	22.2	4	0	0	0	115.7
315	P	52.2	Low	45.8	Very low	111 Å²	111	110 Å²	110	72%	0.721	77%	0.774	S	S	*	*				-128.8	-178.1	-114.5	41.8	-25.6	0	0	0	116.9
316	A	43.2	Very low	46.1	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	78%	0.78	S	S	*	*			trans	67.2	166.7	156.7	0	0	0	0	0	117.1
317	E	44.4	Very low	46.7	Very low	189 Å²	189	113.8 Å²	113.8	88%	0.883	79%	0.788	S	S	*	*			cis	-170	149.3	-35.1	176.6	165.4	-163.5	0	0	107
318	G	40.1	Very low	46.6	Very low	68 Å²	68	113.1 Å²	113.1	70%	0.701	79%	0.792	S	S	*	*			trans	147.9	135.7	172.5	0	0	0	0	0	117.3
319	A	44.6	Very low	47.2	Very low	97 Å²	97	113.3 Å²	113.3	80%	0.802	79%	0.793	S	S	*	*			trans	-102	160.7	-158.7	0	0	0	0	0	118.3
320	A	45.5	Very low	47.9	Very low	94 Å²	94	114.5 Å²	114.5	78%	0.777	80%	0.803	S	S	*	*			trans	65.3	176.3	142.2	0	0	0	0	0	119.5
321	P	48.6	Very low	48.7	Very low	131 Å²	131	109.6 Å²	109.6	85%	0.851	80%	0.796	S	S	*	*			cis	-121.9	-156.4	-14.7	38	-20	0	0	0	113.3
322	A	49.9	Very low	50	Low	93 Å²	93	112.2 Å²	112.2	77%	0.769	80%	0.801	S	S	*	*			trans	-141.5	156.2	-175.8	0	0	0	0	0	114.6
323	P	63.8	Low	51.2	Low	120 Å²	120	112.3 Å²	112.3	78%	0.779	79%	0.792	S	S	*	*			trans	-132.9	-172.1	167.4	43.1	-28.6	0	0	0	113.6
324	P	57.5	Low	51.8	Low	130 Å²	130	112.1 Å²	112.1	84%	0.844	79%	0.791	S	S	*	*				-126.9	-155.5	-66.6	40.7	-24.6	0	0	0	112.1
325	A	44.9	Very low	51.5	Low	97 Å²	97	114.6 Å²	114.6	80%	0.802	79%	0.792	S	S	*	*			trans	-149.9	155.4	-175.7	0	0	0	0	0	115.2
326	E	53.1	Low	51.3	Low	206 Å²	206	112.1 Å²	112.1	96%	0.963	79%	0.786	S	S	*	*			trans	-154.2	156.6	165.6	-80.7	-172.9	121	0	0	108.9
327	G	52.7	Low	51.5	Low	77 Å²	77	113 Å²	113	79%	0.794	79%	0.794	S	S	*	*			cis	-163.6	168.7	-3.3	0	0	0	0	0	111.2
328	A	50.9	Low	51.7	Low	95 Å²	95	108.5 Å²	108.5	79%	0.785	79%	0.789	S	S	*	*			trans	-100.1	-150.5	-175.2	0	0	0	0	0	112
329	P	57.6	Low	52.1	Low	128 Å²	128	111.4 Å²	111.4	83%	0.831	80%	0.795	S	S	*	*			cis	-89.3	-158.7	11.2	41.1	-40.4	0	0	0	113.1
330	A	52.7	Low	52.3	Low	97 Å²	97	111.7 Å²	111.7	80%	0.802	80%	0.798	S	S	*	*			cis	-155.9	-176	12.3	0	0	0	0	0	113.5
331	A	51.3	Low	52.4	Low	92 Å²	92	116 Å²	116	76%	0.76	80%	0.802	S	S	*	*			trans	-141.2	-156.3	178.8	0	0	0	0	0	110.2
332	P	63.1	Low	52.9	Low	120 Å²	120	115 Å²	115	78%	0.779	80%	0.795	S	S	*	*			cis	-132.5	-155.9	19.8	49	-28.1	0	0	0	113.3
333	P	65	Low	53.1	Low	111 Å²	111	115.2 Å²	115.2	72%	0.721	79%	0.789	S	S	*	*				-139.2	-147.2	-108.1	42.4	-18.4	0	0	0	114.9
334	A	50.3	Low	52.3	Low	86 Å²	86	119 Å²	119	71%	0.711	79%	0.793	S	S	*	*			trans	86.9	144.4	172.9	0	0	0	0	0	117.7
335	E	50	Low	51.7	Low	174 Å²	174	122.3 Å²	122.3	81%	0.813	80%	0.797	S	S	*	*				-167	-178.4	-63.1	-116	42.9	89.5	0	0	107.6
336	G	47.8	Very low	51.7	Low	58 Å²	58	121.2 Å²	121.2	60%	0.598	80%	0.795	S	S	*	*			cis	173	-176.1	-0.2	0	0	0	0	0	110.7
337	A	47.1	Very low	51.4	Low	109 Å²	109	116 Å²	116	90%	0.901	79%	0.787	S	S	*	*			trans	60.9	160.9	176.5	0	0	0	0	0	117.6
338	A	49.8	Very low	50.8	Low	95 Å²	95	120.6 Å²	120.6	79%	0.785	79%	0.789	S	S	*	*			cis	-158.4	157.2	-37	0	0	0	0	0	108.9
339	P	48	Very low	50.4	Low	129 Å²	129	122 Å²	122	84%	0.838	79%	0.787	S	S	*	*			trans	-108	162	-173.7	39.6	-33.3	0	0	0	115.3
340	A	49.8	Very low	49.7	Very low	104 Å²	104	120.4 Å²	120.4	86%	0.86	79%	0.785	S	S	*	*			trans	-149.4	149.3	167.4	0	0	0	0	0	113.7
341	E	47.5	Very low	49.1	Very low	185 Å²	185	120.4 Å²	120.4	86%	0.864	79%	0.785	S	S	*	*			trans	-131.3	-175.5	172.5	-110.8	-172.6	167.7	0	0	106.5
342	P	58.1	Low	48.5	Very low	108 Å²	108	120.4 Å²	120.4	70%	0.701	79%	0.785	S	S	*	*			cis	-122.1	-113.6	-25.3	29.4	-6.1	0	0	0	109.3
343	P	53.8	Low	47.5	Very low	98 Å²	98	124 Å²	124	64%	0.636	79%	0.788	S	S	*	*				-129.1	158.6	-50.2	34	-15.4	0	0	0	117.2
344	K	46.6	Very low	46.6	Very low	200 Å²	200	124.2 Å²	124.2	87%	0.87	79%	0.79	S	S	*	*			trans	54.8	169.9	136.9	-65.3	-180	-180	177	0	123.8
345	E	46.8	Very low	46.3	Very low	199 Å²	199	125.1 Å²	125.1	93%	0.93	79%	0.791	S	S	*	*			trans	70.3	148	174.2	-52.4	-164.3	141.3	0	0	117
346	G	44	Very low	45.8	Very low	74 Å²	74	125.3 Å²	125.3	76%	0.763	79%	0.789	S	S	*	*			cis	-149.4	-164.9	0.5	0	0	0	0	0	113.4
347	A	45.7	Very low	45.5	Very low	96 Å²	96	131 Å²	131	79%	0.793	80%	0.798	S	S	*	*			trans	-77.1	176.1	-174.9	0	0	0	0	0	113.2
348	E	41.2	Very low	45.3	Very low	175 Å²	175	130.3 Å²	130.3	82%	0.818	78%	0.782	S	S	*	*			cis	-161.2	-165.2	5.3	-146.6	179.5	157.1	0	0	111.6
349	T	42.6	Very low	44.8	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	77%	0.77	S	S	*	*			trans	80.5	114.4	164.3	71.8	0	0	0	0	121.1
350	A	42.5	Very low	44.5	Very low	95 Å²	95	131.5 Å²	131.5	79%	0.785	76%	0.756	S	S	*	*				57.9	137.6	123.1	0	0	0	0	0	124.5
351	A	40.4	Very low	44.1	Very low	97 Å²	97	131 Å²	131	80%	0.802	74%	0.735	S	S	*	*			trans	80.1	145.7	138.4	0	0	0	0	0	123.4
352	A	39.2	Very low	43.8	Very low	92 Å²	92	128.4 Å²	128.4	76%	0.76	72%	0.721	S	S	*	*			trans	40.5	112.6	147.4	0	0	0	0	0	121.9
353	K	40.5	Very low	43	Very low	194 Å²	194	131.4 Å²	131.4	84%	0.843	72%	0.723	S	S	*	*			trans	-61.4	144.2	162.3	-55.6	142.4	-174.8	154.2	0	111.5
354	P	48	Very low	42.4	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	73%	0.729	S	S	*	*				-125.4	139.9	121.5	2.8	18	0	0	0	112.3
355	S	43	Very low	42	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	73%	0.726	S	S	*	*			cis	77.9	47	33	-51.7	0	0	0	0	116
356	K	40	Very low	41.5	Very low	177 Å²	177	129.8 Å²	129.8	77%	0.77	72%	0.715	S	S	*	*			trans	-119.8	103.8	155.5	-71.3	177.4	-175.7	169.2	0	109.5
357	K	40.4	Very low	41.2	Very low	179 Å²	179	135.5 Å²	135.5	78%	0.778	72%	0.719	S	S	*	*				101.4	140.5	90	-84.7	-177.9	-177.6	-179.1	0	109.1
358	T	42.7	Very low	40.8	Very low	93 Å²	93	140.4 Å²	140.4	57%	0.571	72%	0.722	S	S	*	*			cis	-150.9	138.6	8.5	-5.5	0	0	0	0	113.8
359	K	39.6	Very low	40.7	Very low	122 Å²	122	136.4 Å²	136.4	53%	0.53	71%	0.714	S	S	.	*			trans	63	146.8	154.6	-46.2	-169	178.5	-178.5	0	120	P980	K359-P980 WeakPolarHBondContact CB-O 3.36Å; K359-P980 WeakPolarHBondContact CD-O 3.33Å; K359-P980 WeakPolarHBondContact CG-O 3.46Å; K359-P980 WeakPolarHBondContact O-CD 3.13Å
360	K	41.6	Very low	40.4	Very low	127 Å²	127	138.6 Å²	138.6	55%	0.552	71%	0.713	S	S	*	*			cis	173	-83.8	-41.8	-96.7	24.1	149.6	47.9	0	114.1	P980 A981 E982	K360-P980 VanDerWaalsContact N-CD 3.26Å; K360-A981 CarbonylContact C-O 3.49Å; K360-A981 WeakPolarHBondContact CB-O 3.42Å; K360-E982 HydrophobicContact CB-CB 4.07Å; K360-E982 HydrophobicContact CB-CG 4.32Å; K360-E982 HydrophobicContact CG-CB 3.93Å; K360-E982 HydrophobicContact CG-CG 3.79Å; K360-E982 WeakPolarHBondContact CG-OE1 3.39Å; K360-E982 WeakPolarHBondContact CG-OE2 3.34Å; K360-E982 IonicContact NZ-OE1 2.77Å; K360-E982 PolarHBondContact NZ-OE1 2.75Å; K360-E982 IonicContact NZ-OE2 3.49Å; K360-E982 PolarHBondContact NZ-OE2 2.92Å
361	K	42.5	Very low	40.1	Very low	95 Å²	95	138.1 Å²	138.1	41%	0.413	69%	0.693	S	S	.	*			trans	-61.7	165.5	-175.2	-87	170.8	-169.2	176.7	0	113.4	P980 A981 E982	K361-P980 HydrophobicContact CB-CB 3.83Å; K361-P980 VanDerWaalsContact O-CB 3.25Å; K361-P980 WeakPolarHBondContact O-CB 3.32Å; K361-P980 WeakPolarHBondContact O-CG 3.39Å; K361-A981 WeakPolarHBondContact CA-O 3.46Å; K361-A981 WeakPolarHBondContact CB-O 3.41Å; K361-A981 VanDerWaalsContact CD-C 3.47Å; K361-A981 HydrophobicContact CD-CB 3.91Å; K361-A981 WeakPolarHBondContact CG-O 3.37Å; K361-A981 PolarHBondContact N-O 2.71Å; K361-E982 WeakPolarHBondContact CE-O 3.36Å; K361-E982 WeakPolarHBondContact CG-O 3.46Å
362	K	41.4	Very low	40.1	Very low	130 Å²	130	135.9 Å²	135.9	57%	0.565	67%	0.666	S	S	*	*			cis	-177.2	175.7	-25.1	-100	-177.1	-170.2	149.5	0	106.3	E982	K362-E982 PolarHBondContact NZ-O 3.41Å
363	K	41	Very low	40.2	Very low	170 Å²	170	136 Å²	136	74%	0.739	65%	0.649	S	S	*	*			cis	-168.2	170.4	-43.4	-103.2	-178.2	-172.9	177.9	0	103.6
364	K	39.9	Very low	40.2	Very low	177 Å²	177	130 Å²	130	77%	0.77	63%	0.63	S	S	*	*			cis	-146.4	127.8	-0.2	-132.1	170.9	178.3	-174.8	0	104.2
365	K	39.9	Very low	39.9	Very low	188 Å²	188	128.1 Å²	128.1	82%	0.817	62%	0.616	S	S	*	*				27.2	115.3	96.8	-67.7	-175.1	177.5	-178.6	0	113.5
366	S	34.8	Very low	39.7	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	62%	0.615	S	S	*	*			cis	87.8	127.1	36	82.9	0	0	0	0	116.5
367	K	37.8	Very low	39.6	Very low	194 Å²	194	127.2 Å²	127.2	84%	0.843	61%	0.613	S	S	*	*			trans	68.3	129.4	150.3	-75.6	-176.6	169.9	-176.8	0	121.1
368	K	38.8	Very low	39.9	Very low	198 Å²	198	123 Å²	123	86%	0.861	61%	0.611	S	S	*	*			trans	67.9	151.2	143.3	-109.2	-172.4	173.3	-161.3	0	116.2
369	S	37.2	Very low	40.7	Very low	91 Å²	91	124 Å²	124	64%	0.636	62%	0.619	S	S	*	*			cis	-141.5	166.9	7.2	-48.2	0	0	0	0	111
370	K	37.9	Very low	41.2	Very low	171 Å²	171	123.7 Å²	123.7	74%	0.743	63%	0.63	S	S	*	*				67.8	148.4	99.1	-158.9	179.6	-179.6	-162.5	0	116	E644	K370-E644 WeakPolarHBondContact CG-OE2 3.44Å
371	K	36.4	Very low	41.6	Very low	84 Å²	84	119.5 Å²	119.5	37%	0.365	62%	0.619	S	S	.	*			trans	81.7	169.8	-162.1	-131	-179.9	70.4	-175.4	0	114.3	E640 P642 K1300 K1301	K371-E640 VanDerWaalsContact CE-OE1 3.31Å; K371-E640 WeakPolarHBondContact CE-OE1 3.2Å; K371-E640 WeakPolarHBondContact CE-OE2 3.41Å; K371-E640 IonicContact NZ-OE2 2.66Å; K371-E640 PolarHBondContact NZ-OE2 2.87Å; K371-P642 HydrophobicContact CD-CB 4.34Å; K371-P642 HydrophobicContact CG-CB 4.16Å; K371-K1300 WeakPolarHBondContact O-CE 2.99Å; K371-K1300 PolarHBondContact O-NZ 2.68Å; K371-K1301 PolarHBondContact O-NZ 2.69Å
372	E	40.3	Very low	41.6	Very low	51 Å²	51	123 Å²	123	24%	0.238	64%	0.637	C	S	.	*			trans	-134.9	-128.5	-166.1	-145	72.9	109.2	0	0	115.9	P642 K1300 K1301	E372-P642 CarbonylContact C-O 3.32Å; E372-P642 VanDerWaalsContact CA-O 3.28Å; E372-P642 WeakPolarHBondContact CA-O 3.37Å; E372-P642 VanDerWaalsContact CB-O 3.29Å; E372-P642 WeakPolarHBondContact CB-O 3.47Å; E372-P642 PolarHBondContact N-O 2.97Å; E372-K1300 PolarHBondContact O-NZ 2.88Å; E372-K1301 IonicContact OE1-NZ 2.75Å; E372-K1301 PolarHBondContact OE1-NZ 2.92Å; E372-K1301 WeakPolarHBondContact OE2-CD 2.92Å; E372-K1301 WeakPolarHBondContact OE2-CE 3.23Å; E372-K1301 IonicContact OE2-NZ 3.11Å; E372-K1301 PolarHBondContact OE2-NZ 2.73Å
373	K	40.1	Very low	41.7	Very low	94 Å²	94	119.8 Å²	119.8	41%	0.409	64%	0.641	S	S	.	*			trans	-125	-139.5	165.6	-161.2	-156.5	166.3	-146.8	0	109.5	V375 E640 P641 P642 K643	K373-V375 WeakPolarHBondContact CE-O 3.42Å; K373-V375 PolarHBondContact NZ-O 2.83Å; K373-E640 CarbonylContact C-O 3.52Å; K373-E640 CarbonylContact O-C 3.56Å; K373-P641 CarbonylContact O-C 3.56Å; K373-P641 WeakPolarHBondContact O-CA 3.48Å; K373-P642 CarbonylContact O-C 2.82Å; K373-P642 VanDerWaalsContact O-C 3.3Å; K373-K643 PolarHBondContact O-N 3.49Å
374	P	40.3	Very low	41.8	Very low	68 Å²	68	116.9 Å²	116.9	44%	0.442	65%	0.648	S	S	.	*			cis	-125.5	-14.8	27.3	40.6	-25.1	0	0	0	121.1	E640 P641	P374-E640 WeakPolarHBondContact CD-O 3.31Å; P374-P641 VanDerWaalsContact CD-O 3.25Å; P374-P641 WeakPolarHBondContact CD-O 3.38Å
375	V	41.8	Very low	41.9	Very low	77 Å²	77	112.9 Å²	112.9	47%	0.467	65%	0.648	S	S	.	*			trans	-90.3	146.3	-151.4	-177.8	0	0	0	0	117.6	K373 A639 E640	K373-V375 WeakPolarHBondContact CE-O 3.42Å; K373-V375 PolarHBondContact NZ-O 2.83Å; V375-A639 VanDerWaalsContact O-CB 3.23Å; V375-A639 WeakPolarHBondContact O-CB 3.28Å; V375-E640 PolarHBondContact N-O 2.84Å; V375-E640 VanDerWaalsContact N-O 3.1Å
376	E	38.6	Very low	42.9	Very low	152 Å²	152	109.2 Å²	109.2	71%	0.71	64%	0.643	S	S	*	*			trans	-31.2	177.3	153.7	-96	126.3	122.6	0	0	119.3
377	P	38.7	Very low	43.8	Very low	112 Å²	112	109.7 Å²	109.7	73%	0.727	64%	0.644	S	S	*	*			cis	-130.8	-171.3	25.8	42.8	-24.4	0	0	0	119.4
378	A	46.2	Very low	44.1	Very low	90 Å²	90	104.5 Å²	104.5	74%	0.744	64%	0.638	S	S	*	*			trans	-39.9	167.5	-173	0	0	0	0	0	121.8
379	P	59.9	Low	44.5	Very low	114 Å²	114	104.5 Å²	104.5	74%	0.74	64%	0.64	S	S	*	*			trans	-87.5	-179.1	167.9	41.3	-38.4	0	0	0	112.3
380	P	50.2	Low	44.5	Very low	115 Å²	115	103.8 Å²	103.8	75%	0.747	65%	0.648	S	S	*	*				-139	-166.2	92.5	43.8	-29.4	0	0	0	111.3
381	A	49.5	Very low	44.9	Very low	40 Å²	40	100.7 Å²	100.7	33%	0.331	65%	0.654	S	S	.	*			cis	-159.1	162.8	8.6	0	0	0	0	0	112.7	P632	A381-P632 WeakPolarHBondContact O-CD 3.33Å
382	E	43.2	Very low	45.3	Very low	169 Å²	169	103.1 Å²	103.1	79%	0.79	68%	0.676	S	S	*	*			trans	58	135.7	144.6	-67.1	162.2	116.2	0	0	122.5	A631 P632	E382-A631 PolarHBondContact N-O 2.81Å; E382-P632 VanDerWaalsContact C-CD 3.42Å; E382-P632 WeakPolarHBondContact O-CD 3.45Å
383	G	42.8	Very low	45.5	Very low	62 Å²	62	106.4 Å²	106.4	64%	0.639	70%	0.702	S	S	*	*			cis	170.5	165.3	-5.4	0	0	0	0	0	114.9
384	A	42.7	Very low	45.6	Very low	109 Å²	109	106.3 Å²	106.3	90%	0.901	72%	0.719	S	S	*	*			trans	60.7	155.9	167.7	0	0	0	0	0	119.9
385	A	42.9	Very low	46.6	Very low	92 Å²	92	107.9 Å²	107.9	76%	0.76	73%	0.729	S	S	*	*			cis	-163.2	126.6	-34.6	0	0	0	0	0	109.8
386	P	60.3	Low	47.2	Very low	111 Å²	111	110.2 Å²	110.2	72%	0.721	75%	0.745	S	S	*	*			trans	-101.4	172.4	-169.6	39.3	-37.1	0	0	0	116.5
387	P	53.8	Low	47.7	Very low	110 Å²	110	107.4 Å²	107.4	71%	0.714	75%	0.748	S	S	*	*			trans	-111.5	179.7	-166.5	42.6	-36.4	0	0	0	118.3
388	A	45.3	Very low	48	Very low	85 Å²	85	111.2 Å²	111.2	70%	0.702	76%	0.756	S	S	*	*			trans	-92.3	176.2	172.5	0	0	0	0	0	112.5
389	E	45.4	Very low	47.7	Very low	197 Å²	197	110.1 Å²	110.1	92%	0.921	75%	0.754	S	S	*	*			cis	-166.9	156.5	-18.9	-119.3	-176.2	147.8	0	0	110.7
390	G	38.1	Very low	47	Very low	77 Å²	77	110 Å²	110	79%	0.794	76%	0.762	S	S	*	*			trans	88	159	142.1	0	0	0	0	0	122.6
391	A	46.7	Very low	46.7	Very low	105 Å²	105	109.3 Å²	109.3	87%	0.868	77%	0.767	S	S	*	*			trans	68.9	113.6	157.6	0	0	0	0	0	122.6
392	T	43.9	Very low	46.5	Very low	135 Å²	135	113.5 Å²	113.5	83%	0.828	79%	0.79	S	S	*	*			trans	-104.3	-171.3	151.9	56.8	0	0	0	0	108.3
393	P	45.1	Very low	46.4	Very low	121 Å²	121	110.1 Å²	110.1	79%	0.786	79%	0.791	S	S	*	*			cis	-141.6	-158.3	3.7	44	-22.8	0	0	0	115.9
394	A	42.7	Very low	47.3	Very low	92 Å²	92	113 Å²	113	76%	0.76	80%	0.799	S	S	*	*			trans	93.8	118.9	153.8	0	0	0	0	0	121.3
395	P	61.6	Low	47.8	Very low	101 Å²	101	113.9 Å²	113.9	66%	0.656	80%	0.795	S	S	*	*			trans	-107.5	165.9	163.6	39.8	-32	0	0	0	113.2
396	P	53.5	Low	47.9	Very low	125 Å²	125	114 Å²	114	81%	0.812	80%	0.797	S	S	*	*				-153.9	178.9	125.4	39.2	-21.9	0	0	0	117
397	A	49.3	Very low	46.9	Very low	93 Å²	93	118.2 Å²	118.2	77%	0.769	81%	0.807	S	S	*	*			trans	71.5	159.5	158	0	0	0	0	0	119.6
398	E	44.1	Very low	46.4	Very low	192 Å²	192	116.4 Å²	116.4	90%	0.897	81%	0.807	S	S	*	*			cis	-173.8	152.2	-33.9	178.4	170.8	-172.6	0	0	108.2
399	G	41	Very low	46.2	Very low	67 Å²	67	117.5 Å²	117.5	69%	0.691	82%	0.816	S	S	*	*			trans	113.7	135.8	141.6	0	0	0	0	0	121.8
400	A	44.3	Very low	46.2	Very low	111 Å²	111	112.8 Å²	112.8	92%	0.917	81%	0.812	S	S	*	*			trans	66	127.5	145	0	0	0	0	0	123
401	A	44.6	Very low	46.6	Very low	102 Å²	102	115.7 Å²	115.7	84%	0.843	82%	0.816	S	S	*	*			trans	-150.2	136.4	160.3	0	0	0	0	0	111.4
402	P	44.9	Very low	46.6	Very low	127 Å²	127	115.4 Å²	115.4	83%	0.825	81%	0.814	S	S	*	*			trans	-133	135.6	173.1	36.1	-20.5	0	0	0	117.9
403	A	41.7	Very low	47.4	Very low	98 Å²	98	114.5 Å²	114.5	81%	0.81	81%	0.81	S	S	*	*			trans	35.4	137.6	142.3	0	0	0	0	0	125
404	P	62.5	Low	47.8	Very low	123 Å²	123	114.2 Å²	114.2	80%	0.799	81%	0.808	S	S	*	*			trans	-113.3	159.5	161.6	40.4	-31.5	0	0	0	114.6
405	P	51.7	Low	47.9	Very low	128 Å²	128	114 Å²	114	83%	0.831	81%	0.806	S	S	*	*			trans	-148.3	-176.3	154.8	39.8	-22.5	0	0	0	117.4
406	A	44.5	Very low	46.9	Very low	95 Å²	95	118.6 Å²	118.6	79%	0.785	82%	0.819	S	S	*	*			trans	72	122.5	169	0	0	0	0	0	118.3
407	E	41.1	Very low	46.3	Very low	199 Å²	199	116.2 Å²	116.2	93%	0.93	82%	0.817	S	S	*	*			cis	107	137.9	13.3	-166	168.9	-162	0	0	115.8
408	G	41.5	Very low	45.9	Very low	71 Å²	71	116.3 Å²	116.3	73%	0.732	82%	0.818	S	S	*	*			trans	95.9	148	173.5	0	0	0	0	0	115.1
409	A	42.6	Very low	46	Very low	108 Å²	108	113 Å²	113	89%	0.893	81%	0.813	S	S	*	*			cis	-158	163.5	-17.2	0	0	0	0	0	108.9
410	A	45.2	Very low	45.8	Very low	99 Å²	99	114.1 Å²	114.1	82%	0.818	82%	0.816	S	S	*	*			trans	-128.9	144.8	178.3	0	0	0	0	0	112.1
411	P	46.3	Very low	45.4	Very low	138 Å²	138	118.3 Å²	118.3	90%	0.896	82%	0.816	S	S	*	*			trans	-120.9	170.5	160.6	34.4	-21.7	0	0	0	114.5
412	A	46.1	Very low	44.9	Very low	98 Å²	98	116.7 Å²	116.7	81%	0.81	81%	0.81	S	S	*	*			trans	-91.9	174.9	-157.5	0	0	0	0	0	116.1
413	P	61.6	Low	44.4	Very low	116 Å²	116	116 Å²	116	75%	0.753	82%	0.815	S	S	*	*			trans	-108.1	162	-177.4	40.7	-33.9	0	0	0	115.4
414	P	53.3	Low	44.6	Very low	115 Å²	115	116 Å²	116	75%	0.747	82%	0.815	S	S	*	*			trans	-81.8	153.3	152.3	-3.3	23.7	0	0	0	110.6
415	A	45.2	Very low	43.9	Very low	87 Å²	87	114.2 Å²	114.2	72%	0.719	80%	0.804	S	S	*	*				62.9	137.1	62.4	0	0	0	0	0	112.7
416	E	40.6	Very low	43.4	Very low	199 Å²	199	111.2 Å²	111.2	93%	0.93	79%	0.789	S	S	*	*			cis	-157.8	-172.5	1.9	-140.1	176.8	130.4	0	0	110.2
417	G	40.7	Very low	43.5	Very low	74 Å²	74	114 Å²	114	76%	0.763	79%	0.786	S	S	*	*			trans	110.9	102.9	160.1	0	0	0	0	0	118.6
418	A	40.2	Very low	44.5	Very low	95 Å²	95	108.9 Å²	108.9	79%	0.785	77%	0.77	S	S	*	*			trans	-101	-178.6	146.2	0	0	0	0	0	107.3
419	P	45.8	Very low	45.3	Very low	122 Å²	122	109.2 Å²	109.2	79%	0.792	76%	0.759	S	S	*	*			cis	-151.4	-157.9	24.5	40.8	-15.8	0	0	0	116.5
420	A	37.4	Very low	45.6	Very low	92 Å²	92	110.8 Å²	110.8	76%	0.76	75%	0.746	S	S	*	*			trans	82	-178.6	144.9	0	0	0	0	0	121.4
421	E	36.1	Very low	45.7	Very low	198 Å²	198	110.3 Å²	110.3	93%	0.925	73%	0.727	S	S	*	*			trans	-83.3	170.3	-164.2	-62.9	166.8	101.2	0	0	112.3
422	G	34.1	Very low	45.6	Very low	69 Å²	69	104.8 Å²	104.8	71%	0.711	70%	0.695	S	S	*	*			cis	157.2	165.4	-3.2	0	0	0	0	0	112.3
423	A	33.8	Very low	45.4	Very low	113 Å²	113	103.1 Å²	103.1	93%	0.934	68%	0.681	S	S	*	*			trans	67.1	156.1	171.8	0	0	0	0	0	119.8
424	A	46.4	Very low	44.5	Very low	97 Å²	97	105.9 Å²	105.9	80%	0.802	68%	0.684	S	S	*	*			trans	-163.6	175.7	-174.6	0	0	0	0	0	112
425	P	48	Very low	44	Very low	86 Å²	86	106.7 Å²	106.7	56%	0.558	69%	0.687	S	S	*	*			trans	-107.3	-160.4	175	39.8	-32.2	0	0	0	114.3	A746	P425-A746 HydrophobicContact CG-CB 4.09Å
426	A	41.2	Very low	43.8	Very low	64 Å²	64	106.6 Å²	106.6	53%	0.529	69%	0.686	S	S	.	*				-160.2	-145.9	-67.8	0	0	0	0	0	111.8	T744 P745	A426-T744 HydrophobicContact CB-CG2 3.86Å; A426-P745 WeakPolarHBondContact CB-O 3.35Å
427	E	45.9	Very low	43.7	Very low	154 Å²	154	102.1 Å²	102.1	72%	0.72	68%	0.683	S	S	*	*			trans	-134.3	-175.6	-177.7	-106.2	-168.7	-101.3	0	0	112.1	T744	E427-T744 WeakPolarHBondContact CA-OG1 3.5Å; E427-T744 PolarHBondContact N-OG1 3.44Å; E427-T744 CarbonylContact O-C 3.3Å; E427-T744 WeakPolarHBondContact O-CA 3.34Å; E427-T744 WeakPolarHBondContact O-CB 3.34Å; E427-T744 PolarHBondContact O-N 3.1Å; E427-T744 PolarHBondContact O-OG1 2.92Å
428	P	62.7	Low	43.8	Very low	92 Å²	92	102.9 Å²	102.9	60%	0.597	68%	0.682	S	S	*	*			trans	-103.8	169.1	-165	38	-36.5	0	0	0	118.7	E743 T744	P428-E743 CarbonylContact O-C 2.91Å; P428-E743 WeakPolarHBondContact O-CA 3.18Å; P428-T744 PolarHBondContact O-N 2.62Å
429	P	58.2	Low	43.7	Very low	78 Å²	78	108.1 Å²	108.1	51%	0.506	69%	0.687	S	S	.	*			trans	-123.6	178.1	-156.6	43.2	-30.6	0	0	0	123.1	E743 T744	P429-E743 HydrophobicContact CB-CG 4.33Å; P429-T744 WeakPolarHBondContact CB-O 3.41Å; P429-T744 WeakPolarHBondContact CG-O 3.45Å
430	K	48.8	Very low	43.6	Very low	140 Å²	140	107.7 Å²	107.7	61%	0.609	68%	0.684	S	S	*	*			trans	66.1	156.1	169.8	-56.2	-158.7	172.6	-175.4	0	117.9	K742	K430-K742 PolarHBondContact O-N 2.72Å
431	E	47.7	Very low	43.4	Very low	90 Å²	90	107.6 Å²	107.6	42%	0.421	68%	0.678	S	S	.	*			cis	-140	157	-8	-153	31.9	-95.2	0	0	115	K739 K741 K742	E431-K739 VanDerWaalsContact O-CE 3.31Å; E431-K739 WeakPolarHBondContact O-CE 3.44Å; E431-K739 PolarHBondContact O-NZ 2.9Å; E431-K741 WeakPolarHBondContact O-CD 3.06Å; E431-K741 WeakPolarHBondContact O-CG 3.35Å; E431-K742 IonicContact OE1-NZ 2.76Å; E431-K742 PolarHBondContact OE1-NZ 3.49Å; E431-K742 IonicContact OE2-NZ 2.58Å; E431-K742 PolarHBondContact OE2-NZ 2.58Å
432	G	43	Very low	43.2	Very low	22 Å²	22	107.1 Å²	107.1	23%	0.227	67%	0.673	C	S	.	*			trans	-57.9	-146.3	-150.6	0	0	0	0	0	124.8	K739 K741	G432-K739 PolarHBondContact O-NZ 2.87Å; G432-K741 WeakPolarHBondContact O-CE 3.1Å; G432-K741 PolarHBondContact O-NZ 3.49Å
433	A	43.8	Very low	43	Very low	62 Å²	62	112.9 Å²	112.9	51%	0.512	68%	0.679	S	S	.	*			trans	65.1	125.8	-163.9	0	0	0	0	0	117.2	K741	A433-K741 PolarHBondContact O-NZ 3.16Å
434	E	42.2	Very low	42.9	Very low	175 Å²	175	113 Å²	113	82%	0.818	67%	0.668	S	S	*	*			cis	94.8	149.9	33.7	-70.6	168.4	113.2	0	0	113
435	T	41.6	Very low	42.2	Very low	132 Å²	132	116.3 Å²	116.3	81%	0.81	66%	0.664	S	S	*	*			cis	-153.8	177	0.9	3.8	0	0	0	0	107.2
436	A	42.2	Very low	41.5	Very low	85 Å²	85	119.6 Å²	119.6	70%	0.702	67%	0.669	S	S	*	*			cis	-158.1	170.2	-11.2	0	0	0	0	0	108.6
437	A	38.5	Very low	41.3	Very low	105 Å²	105	124.5 Å²	124.5	87%	0.868	68%	0.679	S	S	*	*			trans	57.5	148.8	160.4	0	0	0	0	0	119.5
438	A	43.3	Very low	40.8	Very low	89 Å²	89	125 Å²	125	74%	0.736	68%	0.679	S	S	*	*			cis	-141	125.9	-19	0	0	0	0	0	106
439	K	36.2	Very low	39.6	Very low	205 Å²	205	128.8 Å²	128.8	89%	0.891	69%	0.686	S	S	*	*				70.7	145.5	93.9	-92.2	-176.3	179.8	-179.6	0	113.8
440	P	45	Very low	38.7	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	69%	0.691	S	S	*	*				-137.5	-136.4	-101.4	41.4	-23	0	0	0	113.8
441	S	33.7	Very low	38.3	Very low	91 Å²	91	132.8 Å²	132.8	64%	0.636	70%	0.695	S	S	*	*			trans	83.5	105.5	160.5	-68.8	0	0	0	0	119.7
442	K	30.1	Very low	37.9	Very low	188 Å²	188	133.3 Å²	133.3	82%	0.817	71%	0.709	S	S	*	*				37.4	107.3	112.8	-57.3	169.3	-179.4	176.3	0	116.4
443	K	31	Very low	37.7	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	74%	0.74	S	S	*	*				174.3	133.5	112	-98.2	169.7	-178.5	175.9	0	114.9
444	T	30.6	Very low	37.5	Very low	114 Å²	114	147.3 Å²	147.3	70%	0.699	75%	0.752	S	S	*	*			trans	70	177.1	143.5	73.3	0	0	0	0	120.7
445	K	32.2	Very low	37.5	Very low	167 Å²	167	143.5 Å²	143.5	73%	0.726	74%	0.744	S	S	*	*			trans	75.7	98.4	151.5	-76.5	167.5	-172.6	168.5	0	118.7
446	K	34.8	Very low	37.5	Very low	155 Å²	155	145.2 Å²	145.2	67%	0.674	74%	0.741	S	S	*	*				79.1	127.1	115.7	-77.3	173.1	-178.5	170.3	0	118.2
447	K	35.9	Very low	37.3	Very low	168 Å²	168	147.4 Å²	147.4	73%	0.73	73%	0.734	S	S	*	*			trans	73.6	157	139.8	-65.6	170.1	-175.6	173.7	0	115
448	K	35.8	Very low	37.4	Very low	164 Å²	164	149 Å²	149	71%	0.713	72%	0.724	S	S	*	*			cis	-148.5	158.1	-4.8	-129.2	174.7	-176.4	176.9	0	110.2
449	K	37	Very low	37.1	Very low	172 Å²	172	153.4 Å²	153.4	75%	0.748	73%	0.726	S	S	*	*				14.6	147.4	129.8	-69.5	179.9	174.5	174.1	0	117.6
450	K	39.2	Very low	37.2	Very low	143 Å²	143	149 Å²	149	62%	0.622	72%	0.719	S	S	*	*			cis	-161.9	139.4	36.4	-145.8	165	178.4	-167	0	113.4
451	K	40.9	Very low	36.8	Very low	159 Å²	159	147.3 Å²	147.3	69%	0.691	71%	0.714	S	S	*	*			trans	38.1	125	141	-62.9	-167.4	174.5	-165.9	0	119.3
452	S	38.4	Very low	37	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	72%	0.724	S	S	*	*			cis	71.3	115.2	48.4	85.5	0	0	0	0	115.9
453	K	39.8	Very low	37.4	Very low	202 Å²	202	148.5 Å²	148.5	88%	0.878	72%	0.723	S	S	*	*			trans	-174.9	144.3	147.7	-106.7	180	-180	-172	0	107.3
454	K	40	Very low	38.1	Very low	176 Å²	176	143.8 Å²	143.8	77%	0.765	72%	0.719	S	S	*	*			cis	-145.4	144.3	-2.2	-163.3	-176.5	176.1	-170.3	0	108.6
455	S	40.4	Very low	38.9	Very low	95 Å²	95	144.1 Å²	144.1	66%	0.664	72%	0.724	S	S	*	*			trans	-43.1	162.9	153.4	45.7	0	0	0	0	113.4
456	K	42	Very low	39.1	Very low	169 Å²	169	140.9 Å²	140.9	74%	0.735	73%	0.728	S	S	*	*				-165.6	174.7	64.9	-104.2	-174.7	157	-175	0	108.6
457	K	38.9	Very low	39.2	Very low	131 Å²	131	137.9 Å²	137.9	57%	0.57	73%	0.732	S	S	*	*			cis	-151.5	152.1	1.7	-137.8	-169.3	-177.4	-133.7	0	108.2
458	E	40.7	Very low	39.3	Very low	137 Å²	137	138.7 Å²	138.7	64%	0.64	74%	0.738	S	S	*	*			trans	44	157.2	135.8	-78.9	159.7	-138.8	0	0	123.6
459	K	37.3	Very low	39.4	Very low	183 Å²	183	134 Å²	134	80%	0.796	74%	0.737	S	S	*	*			cis	-159.3	143.1	-23.3	-159	-173.2	176.6	-162.8	0	108
460	P	36.8	Very low	39.2	Very low	113 Å²	113	130.7 Å²	130.7	73%	0.734	74%	0.741	S	S	*	*			trans	-120.3	170.3	165.4	39.3	-29.6	0	0	0	113.8
461	A	37.7	Very low	38.9	Very low	76 Å²	76	128.5 Å²	128.5	63%	0.628	75%	0.75	S	S	*	*			trans	78.7	129.6	154.8	0	0	0	0	0	121.4
462	E	37.2	Very low	39.6	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	75%	0.754	S	S	*	*			trans	64.8	159.3	140.8	-73.2	169.9	100.3	0	0	121.2
463	P	38.2	Very low	39.9	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	76%	0.758	S	S	*	*			cis	-123.4	-169.5	-3.4	37.2	-19.2	0	0	0	114.6
464	A	45.7	Very low	39.6	Very low	90 Å²	90	121.3 Å²	121.3	74%	0.744	74%	0.744	S	S	*	*			trans	-101.7	169.6	164.3	0	0	0	0	0	110.3
465	P	46.9	Very low	39.4	Very low	122 Å²	122	122.3 Å²	122.3	79%	0.792	75%	0.751	S	S	*	*				-154.6	-177	78.7	43	-23.3	0	0	0	117.3
466	A	36.8	Very low	39.3	Very low	99 Å²	99	121.1 Å²	121.1	82%	0.818	75%	0.754	S	S	*	*			trans	50.7	121.3	145.7	0	0	0	0	0	123.5
467	A	38.2	Very low	39.1	Very low	92 Å²	92	118 Å²	118	76%	0.76	76%	0.76	S	S	*	*			trans	-161.7	169.7	140.4	0	0	0	0	0	109.1
468	E	37.4	Very low	39.1	Very low	184 Å²	184	116.6 Å²	116.6	86%	0.86	77%	0.773	S	S	*	*			trans	-48.7	165.6	177.1	-72.2	98.2	134	0	0	114.8
469	G	37.2	Very low	39.2	Very low	66 Å²	66	114.6 Å²	114.6	68%	0.68	78%	0.779	S	S	*	*			cis	122.8	121.2	26.5	0	0	0	0	0	106.4
470	A	34.1	Very low	39.5	Very low	102 Å²	102	110.2 Å²	110.2	84%	0.843	78%	0.778	S	S	*	*				86.7	121.9	77.2	0	0	0	0	0	112.9
471	A	33.1	Very low	40.4	Very low	97 Å²	97	110.6 Å²	110.6	80%	0.802	78%	0.78	S	S	*	*			trans	69.9	139.2	168	0	0	0	0	0	120.4
472	P	54.2	Low	41	Very low	120 Å²	120	112.7 Å²	112.7	78%	0.779	79%	0.787	S	S	*	*			trans	-89.1	-169.5	147	42.7	-35	0	0	0	109.1
473	P	45.7	Very low	41.3	Very low	120 Å²	120	107.7 Å²	107.7	78%	0.779	78%	0.777	S	S	*	*			cis	-134.4	-145	4.8	42	-20.3	0	0	0	112.8
474	A	33.3	Very low	41.7	Very low	71 Å²	71	111.5 Å²	111.5	59%	0.587	79%	0.785	S	S	*	*			trans	80.5	125.5	152.2	0	0	0	0	0	121.5
475	E	36.6	Very low	41.4	Very low	196 Å²	196	110.8 Å²	110.8	92%	0.916	79%	0.786	S	S	*	*			trans	63.2	167.6	130.7	-61.5	177.5	120.3	0	0	122.1
476	G	37.2	Very low	41.5	Very low	71 Å²	71	109.5 Å²	109.5	73%	0.732	79%	0.785	S	S	*	*			trans	74.2	90	172.6	0	0	0	0	0	115.3
477	A	38.1	Very low	42.1	Very low	103 Å²	103	110.5 Å²	110.5	85%	0.851	78%	0.783	S	S	*	*			cis	74.9	151.9	39.8	0	0	0	0	0	115.6
478	A	39.2	Very low	42.2	Very low	102 Å²	102	110.9 Å²	110.9	84%	0.843	79%	0.787	S	S	*	*			trans	76.7	146.7	175.6	0	0	0	0	0	119.9
479	A	42.8	Very low	42.5	Very low	94 Å²	94	106.7 Å²	106.7	78%	0.777	78%	0.784	S	S	*	*			trans	47.1	106.6	165.8	0	0	0	0	0	118.2
480	A	42.9	Very low	43.4	Very low	92 Å²	92	109 Å²	109	76%	0.76	79%	0.787	S	S	*	*			cis	67.7	158.7	20.9	0	0	0	0	0	113.9
481	P	55.4	Low	44.1	Very low	120 Å²	120	109.8 Å²	109.8	78%	0.779	78%	0.783	S	S	*	*				-127.2	-146.8	-105.2	40.7	-21.4	0	0	0	110.2
482	P	51.5	Low	44.6	Very low	120 Å²	120	109 Å²	109	78%	0.779	78%	0.777	S	S	*	*			cis	-131.2	-130.3	-13.7	41.5	-21	0	0	0	111.9
483	A	42.9	Very low	43.9	Very low	79 Å²	79	113 Å²	113	65%	0.653	79%	0.785	S	S	*	*			trans	80.4	119	168.6	0	0	0	0	0	118.9
484	E	45.8	Very low	43.7	Very low	202 Å²	202	111 Å²	111	94%	0.944	79%	0.786	S	S	*	*			trans	40.4	150.4	132.8	-52.8	-172	117.4	0	0	121.6
485	G	40.8	Very low	44	Very low	74 Å²	74	112.6 Å²	112.6	76%	0.763	80%	0.8	S	S	*	*			cis	-170.2	-174.5	3.2	0	0	0	0	0	110.5
486	A	49.3	Very low	44.3	Very low	95 Å²	95	107.5 Å²	107.5	79%	0.785	79%	0.791	S	S	*	*			trans	-88.1	157.8	169.5	0	0	0	0	0	109.9
487	P	48.2	Very low	44.9	Very low	120 Å²	120	107.5 Å²	107.5	78%	0.779	78%	0.778	S	S	*	*				-110.6	166.8	57.3	-3.9	27.2	0	0	0	113.5
488	A	40.7	Very low	45.3	Very low	101 Å²	101	105.8 Å²	105.8	84%	0.835	76%	0.764	S	S	*	*				80.2	149.6	55.3	0	0	0	0	0	114.5
489	A	43	Very low	46	Very low	96 Å²	96	104.8 Å²	104.8	79%	0.793	74%	0.742	S	S	*	*			trans	-105.1	-177.6	-172.4	0	0	0	0	0	110.2
490	P	56.5	Low	46.9	Very low	115 Å²	115	103.3 Å²	103.3	75%	0.747	72%	0.724	S	S	*	*			cis	-116.3	-154.6	3.8	42	-23.7	0	0	0	111.8
491	P	48.1	Very low	47.7	Very low	117 Å²	117	103 Å²	103	76%	0.76	72%	0.715	S	S	*	*				-120.2	175.9	54.9	11.1	14.9	0	0	0	112.2
492	A	43.7	Very low	47.5	Very low	81 Å²	81	105.2 Å²	105.2	67%	0.669	71%	0.712	S	S	*	*			cis	82.8	121.3	30.7	0	0	0	0	0	115.8
493	E	40.7	Very low	47.2	Very low	203 Å²	203	108.2 Å²	108.2	95%	0.949	72%	0.716	S	S	*	*			trans	52.8	172	164.6	-61.3	-169	97.1	0	0	120.3
494	G	40.5	Very low	47.2	Very low	79 Å²	79	107.8 Å²	107.8	81%	0.814	72%	0.719	S	S	*	*			trans	128.4	123.8	155.1	0	0	0	0	0	117.5
495	A	40.6	Very low	47.1	Very low	105 Å²	105	103 Å²	103	87%	0.868	71%	0.714	S	S	*	*			trans	-66.1	173.9	-177.9	0	0	0	0	0	117.7
496	A	43.2	Very low	47.1	Very low	88 Å²	88	105.1 Å²	105.1	73%	0.727	70%	0.704	S	S	*	*			trans	-98.6	-166.9	155.1	0	0	0	0	0	108.9
497	P	49.8	Very low	46.7	Very low	71 Å²	71	105.6 Å²	105.6	46%	0.461	70%	0.697	S	S	.	*			cis	-140.4	176.5	-4	39.6	-17.4	0	0	0	116.3	K1164	P497-K1164 HydrophobicContact CB-CB 3.7Å; P497-K1164 HydrophobicContact CB-CD 4.43Å; P497-K1164 HydrophobicContact CB-CG 4.23Å; P497-K1164 HydrophobicContact CG-CB 3.89Å; P497-K1164 HydrophobicContact CG-CD 3.8Å; P497-K1164 HydrophobicContact CG-CG 3.82Å; P497-K1164 WeakPolarHBondContact O-CD 3.18Å
498	A	46.9	Very low	46.4	Very low	68 Å²	68	102.6 Å²	102.6	56%	0.562	68%	0.682	S	S	*	*			trans	-141.8	152.1	177.7	0	0	0	0	0	116.3	K1164 E1165	A498-K1164 VanDerWaalsContact N-CB 3.35Å; A498-K1164 CarbonylContact O-C 3.58Å; A498-K1164 VanDerWaalsContact O-CB 3.22Å; A498-K1164 WeakPolarHBondContact O-CB 3.38Å; A498-E1165 CarbonylContact O-C 3.16Å; A498-E1165 VanDerWaalsContact O-CA 3.29Å; A498-E1165 WeakPolarHBondContact O-CA 3.21Å; A498-E1165 PolarHBondContact O-N 2.97Å
499	E	52.6	Low	46.5	Very low	81 Å²	81	101.2 Å²	101.2	38%	0.379	67%	0.671	S	S	.	*			trans	-149.8	-165.2	-145.9	-138.2	-157.4	154.8	0	0	118.4	P1163 K1164	E499-P1163 VanDerWaalsContact CD-CD 3.45Å; E499-P1163 HydrophobicContact CG-CB 4.27Å; E499-P1163 HydrophobicContact CG-CG 4.41Å; E499-P1163 VanDerWaalsContact OE1-CD 3.24Å; E499-P1163 WeakPolarHBondContact OE1-CD 3.38Å; E499-P1163 WeakPolarHBondContact OE1-CG 2.9Å; E499-K1164 HydrophobicContact CB-CB 3.52Å; E499-K1164 HydrophobicContact CB-CD 4.13Å; E499-K1164 HydrophobicContact CB-CG 3.66Å; E499-K1164 HydrophobicContact CG-CB 3.43Å; E499-K1164 VanDerWaalsContact CG-CB 3.43Å; E499-K1164 HydrophobicContact CG-CD 4.42Å; E499-K1164 HydrophobicContact CG-CG 3.49Å; E499-K1164 VanDerWaalsContact CG-CG 3.49Å; E499-K1164 IonicContact OE2-NZ 2.92Å; E499-K1164 PolarHBondContact OE2-NZ 2.8Å
500	P	62.3	Low	46.5	Very low	62 Å²	62	101.3 Å²	101.3	40%	0.403	67%	0.672	S	S	.	*				-110.1	-135.8	-65.9	31.5	-10	0	0	0	110.2
501	P	58.6	Low	46.2	Very low	87 Å²	87	105 Å²	105	57%	0.565	68%	0.676	S	S	*	*			cis	-142.7	-171.9	-18.2	35.8	-13	0	0	0	118.1
502	K	51.4	Low	46.4	Very low	166 Å²	166	104.3 Å²	104.3	72%	0.722	67%	0.672	S	S	*	*			trans	70.8	112.3	147.6	-78.6	161.4	-168.6	173.5	0	118.7
503	E	46.7	Very low	46.5	Very low	183 Å²	183	104.8 Å²	104.8	86%	0.855	67%	0.67	S	S	*	*				97	144.3	97.7	-79.2	173.6	-179.4	0	0	113.2
504	G	41.4	Very low	46.4	Very low	69 Å²	69	104 Å²	104	71%	0.711	66%	0.664	S	S	*	*			cis	-173.2	-164.5	-4.8	0	0	0	0	0	112.7
505	A	43.7	Very low	46.4	Very low	102 Å²	102	109.1 Å²	109.1	84%	0.843	66%	0.663	S	S	*	*			trans	71	114	159.7	0	0	0	0	0	122.3
506	E	41.3	Very low	46.3	Very low	119 Å²	119	110.1 Å²	110.1	56%	0.556	66%	0.659	S	S	*	*				91.1	58.2	118.8	-92.1	-80.6	79.6	0	0	124.7	K815	E506-K815 PolarHBondContact O-NZ 3.38Å; E506-K815 IonicContact OE1-NZ 2.82Å; E506-K815 PolarHBondContact OE1-NZ 2.99Å; E506-K815 IonicContact OE2-NZ 2.74Å; E506-K815 PolarHBondContact OE2-NZ 3.46Å
507	T	40.3	Very low	46	Very low	105 Å²	105	115.6 Å²	115.6	64%	0.644	67%	0.666	S	S	*	*				52.9	153.5	128.5	77.7	0	0	0	0	124.6	K815	T507-K815 WeakPolarHBondContact O-CD 3Å; T507-K815 WeakPolarHBondContact O-CE 3.17Å; T507-K815 PolarHBondContact O-NZ 2.82Å; T507-K815 VanDerWaalsContact OG1-CE 3.32Å; T507-K815 WeakPolarHBondContact OG1-CE 3.42Å; T507-K815 PolarHBondContact OG1-NZ 2.76Å
508	A	42.8	Very low	45.5	Very low	56 Å²	56	121 Å²	121	46%	0.463	68%	0.682	S	S	.	*			trans	101.4	94.6	142.1	0	0	0	0	0	123	K815	A508-K815 HydrophobicContact CB-CB 3.91Å; A508-K815 HydrophobicContact CB-CD 3.95Å; A508-K815 HydrophobicContact CB-CG 4.12Å
509	A	43.1	Very low	45.1	Very low	73 Å²	73	126.6 Å²	126.6	60%	0.603	69%	0.694	S	S	*	*				102.1	132.1	116.4	0	0	0	0	0	123.8
510	A	42.7	Very low	44.4	Very low	98 Å²	98	131.2 Å²	131.2	81%	0.81	71%	0.713	S	S	*	*			trans	86.7	126.8	146.7	0	0	0	0	0	123.1
511	K	50.4	Low	43.2	Very low	191 Å²	191	136.5 Å²	136.5	83%	0.83	73%	0.73	S	S	*	*			trans	-88.5	-147.5	179.6	-60.3	171.9	-179.9	168	0	109.9
512	P	52.5	Low	42.2	Very low	103 Å²	103	140.5 Å²	140.5	67%	0.669	74%	0.738	S	S	*	*			cis	-134.9	-175.1	-19.3	41.9	-23.5	0	0	0	115.7
513	S	44.5	Very low	41.7	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	74%	0.744	S	S	*	*			trans	57.7	153.6	142.7	-75	0	0	0	0	123.7
514	K	39.7	Very low	41.3	Very low	188 Å²	188	138.1 Å²	138.1	82%	0.817	74%	0.739	S	S	*	*			cis	-173	168.9	-24.8	-117.7	175.5	-176	177.4	0	110.3
515	K	40.3	Very low	41	Very low	185 Å²	185	143.3 Å²	143.3	80%	0.804	74%	0.742	S	S	*	*			trans	87.3	108	156.3	-74.2	-178.8	177.6	176.8	0	124.5
516	T	37.7	Very low	40.7	Very low	127 Å²	127	147.5 Å²	147.5	78%	0.779	74%	0.741	S	S	*	*				85.7	131	121.6	62.8	0	0	0	0	126.1
517	K	37.1	Very low	40.5	Very low	202 Å²	202	146.6 Å²	146.6	88%	0.878	75%	0.748	S	S	*	*				107.6	117.4	128.6	-157.8	171.6	-171.6	167.4	0	120.1
518	K	40.2	Very low	40.5	Very low	184 Å²	184	149.6 Å²	149.6	80%	0.8	75%	0.752	S	S	*	*				141.3	139.6	124.1	-172.1	175.4	-177.4	-177.6	0	116.1
519	K	38.9	Very low	40.4	Very low	187 Å²	187	155.6 Å²	155.6	81%	0.813	77%	0.767	S	S	*	*			trans	65.8	165.5	171.1	-85.4	-178.1	172.8	-175.8	0	116.3
520	K	37.5	Very low	40.4	Very low	178 Å²	178	157.7 Å²	157.7	77%	0.774	77%	0.765	S	S	*	*			cis	178.4	143.4	-41.1	171.9	169	-178.6	174.5	0	109
521	K	35.7	Very low	40.4	Very low	172 Å²	172	161 Å²	161	75%	0.748	76%	0.761	S	S	*	*			trans	80.8	122.1	168.9	-91.2	-175.8	173.2	-177.5	0	118.2
522	K	37.9	Very low	40	Very low	172 Å²	172	156.2 Å²	156.2	75%	0.748	75%	0.749	S	S	*	*			trans	71	132.2	133.2	-75.6	-166.7	169.9	-165.3	0	121.7
523	K	41.4	Very low	39.2	Very low	191 Å²	191	155.8 Å²	155.8	83%	0.83	76%	0.755	S	S	*	*			trans	67.4	151.7	152.3	-71.7	-171.8	170.6	-161.6	0	115.8
524	S	37.9	Very low	38.8	Very low	108 Å²	108	158.7 Å²	158.7	76%	0.755	76%	0.758	S	S	*	*			cis	-167.1	140.9	-18.3	40.1	0	0	0	0	109.6
525	K	34.9	Very low	38.7	Very low	177 Å²	177	154.6 Å²	154.6	77%	0.77	76%	0.759	S	S	*	*			trans	-151.4	149.1	169.2	-148	176.1	-176.5	-175.2	0	108.3	A251	A251-K525 PolarHBondContact O-NZ 2.66Å
526	K	37.1	Very low	38.7	Very low	190 Å²	190	149.8 Å²	149.8	83%	0.826	75%	0.754	S	S	*	*			trans	62.5	116.5	-159	-126.7	89.4	176.5	-176.8	0	111.1
527	S	37	Very low	39.3	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	75%	0.753	S	S	*	*			cis	61.2	151.6	33.8	90.3	0	0	0	0	113
528	K	42.2	Very low	39.7	Very low	167 Å²	167	145 Å²	145	73%	0.726	75%	0.746	S	S	*	*			cis	-144.5	137.6	3.5	-168.7	172.9	176.3	-177.7	0	105.7	E530	K528-E530 WeakPolarHBondContact CE-OE1 3.39Å; K528-E530 WeakPolarHBondContact CG-OE1 3.41Å
529	K	38.9	Very low	39.6	Very low	182 Å²	182	139.8 Å²	139.8	79%	0.791	74%	0.737	S	S	*	*				-175.8	115.8	95.5	-167.8	155.3	-168.1	179.1	0	106.8
530	E	44.8	Very low	39.7	Very low	117 Å²	117	140 Å²	140	55%	0.547	74%	0.74	S	S	.	*				58	121.5	107.2	-74	115.2	-117.8	0	0	114.1	K528	K528-E530 WeakPolarHBondContact CE-OE1 3.39Å; K528-E530 WeakPolarHBondContact CG-OE1 3.41Å
531	K	41.7	Very low	39.6	Very low	168 Å²	168	134.6 Å²	134.6	73%	0.73	74%	0.736	S	S	*	*			cis	68.3	144.4	21.6	-146.1	-102.8	171.9	-163.9	0	111
532	P	42.9	Very low	39.7	Very low	90 Å²	90	131.1 Å²	131.1	58%	0.584	74%	0.739	S	S	*	*			cis	-110.8	167.1	7.8	4.5	20.4	0	0	0	115.9
533	A	35.4	Very low	39.6	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	74%	0.742	S	S	*	*				-96.2	137.1	129.2	0	0	0	0	0	106.4
534	E	36.3	Very low	40.2	Very low	152 Å²	152	124.2 Å²	124.2	71%	0.71	74%	0.74	S	S	*	*			trans	-107.6	99.9	176.8	-159.3	73.1	-163.1	0	0	107.2
535	A	37.5	Very low	40.9	Very low	102 Å²	102	124.8 Å²	124.8	84%	0.843	74%	0.741	S	S	*	*			trans	-111.4	114.2	169.7	0	0	0	0	0	106.8
536	A	39.3	Very low	41.3	Very low	83 Å²	83	119.6 Å²	119.6	69%	0.686	73%	0.731	S	S	*	*			trans	-131.6	150.6	-177.6	0	0	0	0	0	109.3
537	P	50.9	Low	41.6	Very low	118 Å²	118	119.8 Å²	119.8	77%	0.766	74%	0.735	S	S	*	*			trans	-133.1	-155.5	-132.4	45.2	-27.2	0	0	0	110.6
538	P	46.2	Very low	41.8	Very low	112 Å²	112	118.4 Å²	118.4	73%	0.727	74%	0.736	S	S	*	*			cis	-134.1	-152.9	-4.4	41.6	-20.6	0	0	0	113.8
539	A	37.6	Very low	42	Very low	73 Å²	73	115.3 Å²	115.3	60%	0.603	74%	0.742	S	S	*	*			trans	-9.7	154	143.2	0	0	0	0	0	118.3
540	E	39.8	Very low	42.3	Very low	191 Å²	191	111.2 Å²	111.2	89%	0.893	74%	0.742	S	S	*	*			cis	-144.5	174.9	6.3	-111.8	145	140.3	0	0	106.7
541	G	35.6	Very low	42.2	Very low	66 Å²	66	110.2 Å²	110.2	68%	0.68	75%	0.754	S	S	*	*			cis	121.2	109.2	23	0	0	0	0	0	108.8
542	A	37.8	Very low	42.9	Very low	99 Å²	99	106.9 Å²	106.9	82%	0.818	76%	0.757	S	S	*	*			trans	72.8	134.8	-162	0	0	0	0	0	113.8
543	A	36.7	Very low	43.9	Very low	96 Å²	96	107.9 Å²	107.9	79%	0.793	76%	0.764	S	S	*	*			cis	98.5	154.5	24.4	0	0	0	0	0	113
544	P	54.2	Low	45.1	Very low	122 Å²	122	107.4 Å²	107.4	79%	0.792	75%	0.753	S	S	*	*				-114.1	-161	-111.7	41.4	-23.7	0	0	0	111.5
545	P	51.5	Low	45.8	Very low	119 Å²	119	101.1 Å²	101.1	77%	0.773	73%	0.727	S	S	*	*			cis	-140	-150.9	5.1	44.9	-23.5	0	0	0	114.8
546	A	44.4	Very low	46.5	Very low	68 Å²	68	104.3 Å²	104.3	56%	0.562	72%	0.724	S	S	*	*			trans	81.1	126.8	157.8	0	0	0	0	0	120.2
547	E	42.8	Very low	46.8	Very low	195 Å²	195	102 Å²	102	91%	0.911	71%	0.708	S	S	*	*				45.9	163.2	129.3	-58.8	177.9	108.6	0	0	122.3
548	G	42	Very low	46.9	Very low	71 Å²	71	98.6 Å²	98.6	73%	0.732	69%	0.69	S	S	*	*			trans	134.8	29.9	145.1	0	0	0	0	0	122
549	A	46.6	Very low	47	Very low	102 Å²	102	98.6 Å²	98.6	84%	0.843	69%	0.69	S	S	*	*			trans	60.6	163.8	149.2	0	0	0	0	0	122.9
550	A	44.9	Very low	47.3	Very low	97 Å²	97	99.8 Å²	99.8	80%	0.802	70%	0.7	S	S	*	*			trans	77.1	112.9	151.4	0	0	0	0	0	123
551	A	43.2	Very low	47.5	Very low	96 Å²	96	94.1 Å²	94.1	79%	0.793	69%	0.686	S	S	*	*				90	71.7	126.5	0	0	0	0	0	123
552	A	55.5	Low	48.1	Very low	97 Å²	97	94.3 Å²	94.3	80%	0.802	68%	0.681	S	S	*	*				72	178.3	114.2	0	0	0	0	0	120.3
553	P	64.7	Low	48.6	Very low	112 Å²	112	95.5 Å²	95.5	73%	0.727	68%	0.68	S	S	*	*				-126	-159	-126.1	20.5	9.2	0	0	0	112.6
554	P	59.7	Low	49.4	Very low	84 Å²	84	95.1 Å²	95.1	55%	0.545	68%	0.677	S	S	.	*			cis	-116	-122	-3.3	21.3	6.3	0	0	0	111.2	K1188	P554-K1188 PolarHBondContact O-NZ 3.4Å
555	A	51.5	Low	49.1	Very low	20 Å²	20	98.7 Å²	98.7	17%	0.165	68%	0.683	C	S	.	*			cis	-152.6	144.4	-11.2	0	0	0	0	0	111.6	P874 K1186	A555-P874 HydrophobicContact CB-CG 4.36Å; A555-K1186 WeakPolarHBondContact O-CE 3.39Å; A555-K1186 PolarHBondContact O-NZ 2.92Å
556	E	50.9	Low	48.8	Very low	169 Å²	169	96 Å²	96	79%	0.79	68%	0.677	S	S	*	*			trans	38.6	136.2	145.6	-62.6	-162.2	104	0	0	126.3	K1186	E556-K1186 VanDerWaalsContact O-CD 3.23Å; E556-K1186 WeakPolarHBondContact O-CD 3.18Å; E556-K1186 WeakPolarHBondContact O-CE 3.32Å; E556-K1186 PolarHBondContact O-NZ 3.44Å
557	G	46.9	Very low	48.7	Very low	34 Å²	34	97.5 Å²	97.5	35%	0.351	69%	0.689	S	S	.	*			trans	117.1	94.2	137.3	0	0	0	0	0	115.9	K1185 K1186	G557-K1185 VanDerWaalsContact O-CD 3.32Å; G557-K1185 WeakPolarHBondContact O-CD 3.41Å; G557-K1186 WeakPolarHBondContact O-CB 3.33Å; G557-K1186 WeakPolarHBondContact O-CD 3.26Å; G557-K1186 WeakPolarHBondContact O-CG 3.38Å
558	A	52.6	Low	48.9	Very low	48 Å²	48	92.5 Å²	92.5	40%	0.397	68%	0.682	S	S	.	*			trans	-105.2	-135.3	-179.9	0	0	0	0	0	112.5	K1185 K1186	A558-K1185 WeakPolarHBondContact O-CD 3.32Å; A558-K1186 VanDerWaalsContact CA-O 3.26Å; A558-K1186 WeakPolarHBondContact CA-O 2.95Å; A558-K1186 WeakPolarHBondContact CB-O 3.44Å
559	P	48	Very low	49.2	Very low	112 Å²	112	95 Å²	95	73%	0.727	69%	0.685	S	S	*	*				-123.7	-176	-90.1	33.7	-17.7	0	0	0	115.2
560	A	44.9	Very low	49.1	Very low	97 Å²	97	94.8 Å²	94.8	80%	0.802	68%	0.683	S	S	*	*			trans	65.9	155.9	151.3	0	0	0	0	0	119.4
561	A	44.2	Very low	49.1	Very low	73 Å²	73	98.9 Å²	98.9	60%	0.603	69%	0.686	S	S	*	*			cis	-159.3	165	-24.2	0	0	0	0	0	111.5
562	A	47.9	Very low	49.5	Very low	69 Å²	69	100.1 Å²	100.1	57%	0.57	69%	0.686	S	S	*	*			trans	40.8	125	158.1	0	0	0	0	0	123.4	E237	E237-A562 HydrophobicContact CG-CB 4.36Å
563	P	48.1	Very low	49.2	Very low	124 Å²	124	100.9 Å²	100.9	81%	0.805	68%	0.683	S	S	*	*			trans	-124.7	164.2	159.1	40	-29.2	0	0	0	115.3
564	A	52.6	Low	48.3	Very low	88 Å²	88	104.6 Å²	104.6	73%	0.727	69%	0.687	S	S	*	*			trans	64.4	132.9	167.3	0	0	0	0	0	117.3
565	E	48.3	Very low	47.7	Very low	197 Å²	197	108.7 Å²	108.7	92%	0.921	70%	0.699	S	S	*	*				63	144.7	52.1	-64.4	-162.3	108	0	0	114.7
566	G	44.9	Very low	47.3	Very low	62 Å²	62	111.2 Å²	111.2	64%	0.639	73%	0.727	S	S	*	*			cis	165.3	136.9	-3.7	0	0	0	0	0	110.8
567	A	43.1	Very low	47	Very low	100 Å²	100	107.3 Å²	107.3	83%	0.826	72%	0.724	S	S	*	*			trans	58.1	149.7	179.2	0	0	0	0	0	116.5
568	A	46.5	Very low	46.8	Very low	90 Å²	90	114.3 Å²	114.3	74%	0.744	75%	0.747	S	S	*	*			cis	74.6	165.7	13.6	0	0	0	0	0	115.2
569	P	48.1	Very low	46.4	Very low	123 Å²	123	117.4 Å²	117.4	80%	0.799	76%	0.762	S	S	*	*				-131	177	-57.2	37.4	-24.7	0	0	0	112
570	A	44	Very low	46.3	Very low	99 Å²	99	116.1 Å²	116.1	82%	0.818	76%	0.761	S	S	*	*			trans	-169.3	115.1	147.8	0	0	0	0	0	113.9
571	E	45	Very low	46.2	Very low	183 Å²	183	116.3 Å²	116.3	86%	0.855	76%	0.762	S	S	*	*			trans	-85.9	-174.6	143.2	-82.9	-168.1	135	0	0	107.5
572	P	52.6	Low	46.2	Very low	121 Å²	121	116.5 Å²	116.5	79%	0.786	76%	0.763	S	S	*	*			cis	-141.1	-178.9	14.6	35.4	-11	0	0	0	117.3
573	P	49.1	Very low	46	Very low	114 Å²	114	122.8 Å²	122.8	74%	0.74	78%	0.778	S	S	*	*			trans	-108.2	160.4	-177.2	39.8	-34.2	0	0	0	115.9
574	K	46.4	Very low	46.3	Very low	190 Å²	190	122.2 Å²	122.2	83%	0.826	77%	0.774	S	S	*	*			trans	-161.6	165	163.1	-97.9	161.8	-175.9	-176.7	0	106.5
575	E	45.7	Very low	46	Very low	169 Å²	169	122.6 Å²	122.6	79%	0.79	77%	0.771	S	S	*	*			cis	-156.3	168.4	10.3	-147.6	148.6	-125	0	0	112.2
576	G	42.9	Very low	45.7	Very low	73 Å²	73	121.3 Å²	121.3	75%	0.753	76%	0.763	S	S	*	*			trans	71.2	164.3	157.2	0	0	0	0	0	119.6
577	A	44.5	Very low	45.6	Very low	88 Å²	88	127 Å²	127	73%	0.727	77%	0.77	S	S	*	*			cis	-163.8	137.9	-23.1	0	0	0	0	0	110.3
578	E	44.3	Very low	45.3	Very low	180 Å²	180	127.8 Å²	127.8	84%	0.841	77%	0.765	S	S	*	*			trans	53.6	174	142.1	-62.7	-143.7	119.7	0	0	120.6
579	T	43.8	Very low	44.9	Very low	114 Å²	114	132 Å²	132	70%	0.699	77%	0.766	S	S	*	*			cis	-155.1	171.5	-28.7	29.7	0	0	0	0	106.5
580	A	45.4	Very low	44.6	Very low	85 Å²	85	134.6 Å²	134.6	70%	0.702	77%	0.765	S	S	*	*			cis	-165.7	179.4	-35.9	0	0	0	0	0	109.8
581	A	43.8	Very low	44.5	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	76%	0.759	S	S	*	*			trans	64.8	158.3	159.7	0	0	0	0	0	121
582	A	42.7	Very low	44.3	Very low	76 Å²	76	137.2 Å²	137.2	63%	0.628	76%	0.755	S	S	*	*			cis	-164.3	124.2	-34	0	0	0	0	0	114.7
583	K	43.5	Very low	43.8	Very low	201 Å²	201	140 Å²	140	87%	0.874	76%	0.755	S	S	*	*			trans	58.4	-173.6	141.6	-59	162.8	-173.2	163.9	0	116.9
584	P	54.1	Low	43.4	Very low	113 Å²	113	143.2 Å²	143.2	73%	0.734	76%	0.757	S	S	*	*			cis	-105	152.7	-38.4	30.7	-14.9	0	0	0	112.1
585	S	46.6	Very low	43	Very low	95 Å²	95	144 Å²	144	66%	0.664	76%	0.76	S	S	*	*			cis	85.4	107.1	39.7	-169.8	0	0	0	0	115.9
586	K	41.7	Very low	42.9	Very low	170 Å²	170	141 Å²	141	74%	0.739	76%	0.758	S	S	*	*			trans	160.2	117.8	133.4	-83.1	148.6	-161	166.3	0	113.3
587	K	43.4	Very low	42.8	Very low	183 Å²	183	145 Å²	145	80%	0.796	76%	0.755	S	S	*	*				81.3	143.9	97.1	-69	-170	-179.6	178.7	0	115.5
588	T	38	Very low	42.9	Very low	115 Å²	115	150.2 Å²	150.2	71%	0.706	76%	0.761	S	S	*	*			cis	-170.3	162.7	-5.4	24.3	0	0	0	0	114
589	K	37.8	Very low	42.5	Very low	179 Å²	179	148.4 Å²	148.4	78%	0.778	75%	0.753	S	S	*	*			trans	100	139.6	131.3	-106	172.5	179.4	168	0	122.4
590	K	41.2	Very low	42.4	Very low	177 Å²	177	152.7 Å²	152.7	77%	0.77	76%	0.762	S	S	*	*			trans	76.9	142.4	150.4	-89.3	179.5	177.4	176.3	0	117.3
591	K	42.5	Very low	42.1	Very low	159 Å²	159	154 Å²	154	69%	0.691	76%	0.763	S	S	*	*			cis	-161.6	153.8	-1.3	-160.6	-179.9	-179.7	-176.5	0	111.9
592	K	39.6	Very low	41.8	Very low	178 Å²	178	156.4 Å²	156.4	77%	0.774	77%	0.767	S	S	*	*			trans	67.2	151.9	162.9	-91.2	177.6	175.8	-175.7	0	116
593	K	42.4	Very low	41.5	Very low	179 Å²	179	161.8 Å²	161.8	78%	0.778	78%	0.779	S	S	*	*			cis	-145.8	167.5	-3.6	-155.6	-179.7	177.1	-169.8	0	109.9
594	K	42.3	Very low	41.2	Very low	183 Å²	183	161.2 Å²	161.2	80%	0.796	78%	0.78	S	S	*	*			trans	-25	139.6	176.1	-59.6	-175.9	173.8	-170.8	0	116.2
595	K	36.2	Very low	40.5	Very low	205 Å²	205	160.2 Å²	160.2	89%	0.891	78%	0.781	S	S	*	*			cis	76.4	157.3	24.4	-139.9	-173.3	-176.8	-168.2	0	115
596	S	43.9	Very low	40.5	Very low	106 Å²	106	161.4 Å²	161.4	74%	0.741	79%	0.786	S	S	*	*			trans	77.3	122.6	-168.5	-41.4	0	0	0	0	113.5
597	K	41.4	Very low	40.5	Very low	159 Å²	159	158.9 Å²	158.9	69%	0.691	79%	0.787	S	S	*	*				71.3	106	51.6	-161.2	-174.9	-154.8	-143.5	0	109	E599	K597-E599 VanDerWaalsContact CE-CD 3.48Å; K597-E599 WeakPolarHBondContact CE-OE1 3.34Å; K597-E599 WeakPolarHBondContact CE-OE2 3.33Å; K597-E599 IonicContact NZ-OE1 3.01Å; K597-E599 PolarHBondContact NZ-OE1 3.35Å; K597-E599 IonicContact NZ-OE2 3.45Å; K597-E599 PolarHBondContact NZ-OE2 3.04Å
598	K	45.7	Very low	40.2	Very low	197 Å²	197	154.3 Å²	154.3	86%	0.857	78%	0.783	S	S	*	*			cis	59.7	81.5	39.9	-163.3	-166	171.5	-178.5	0	114.1
599	E	36.4	Very low	40.3	Very low	142 Å²	142	157.7 Å²	157.7	66%	0.664	79%	0.791	S	S	*	*			trans	-173.9	171.3	151.2	-107.6	148.3	-143.5	0	0	109.7	K597	K597-E599 VanDerWaalsContact CE-CD 3.48Å; K597-E599 WeakPolarHBondContact CE-OE1 3.34Å; K597-E599 WeakPolarHBondContact CE-OE2 3.33Å; K597-E599 IonicContact NZ-OE1 3.01Å; K597-E599 PolarHBondContact NZ-OE1 3.35Å; K597-E599 IonicContact NZ-OE2 3.45Å; K597-E599 PolarHBondContact NZ-OE2 3.04Å
600	K	41.4	Very low	40.3	Very low	204 Å²	204	152.5 Å²	152.5	89%	0.887	79%	0.788	S	S	*	*			trans	65.3	149.1	-173.8	-60.4	-163.1	174.7	-164.2	0	116.2
601	P	40.5	Very low	40.1	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	79%	0.789	S	S	*	*			cis	-126.9	168.5	-38.5	36.5	-23	0	0	0	112.7
602	V	37.4	Very low	40	Very low	150 Å²	150	145.8 Å²	145.8	91%	0.909	80%	0.795	S	S	*	*			trans	-130.1	93	161	173.9	0	0	0	0	106.5
603	E	35.7	Very low	40.7	Very low	189 Å²	189	143 Å²	143	88%	0.883	80%	0.795	S	S	*	*			trans	-166.4	111.5	167	-133.8	169.7	156.6	0	0	108.5
604	Q	36.3	Very low	41.1	Very low	190 Å²	190	139.8 Å²	139.8	89%	0.888	79%	0.793	S	S	*	*			trans	-165.1	91.9	168	-166.5	167.3	37.5	0	0	111.4
605	A	39.8	Very low	40.9	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	79%	0.789	S	S	*	*			trans	57.4	-174.6	158	0	0	0	0	0	117.2
606	P	46.8	Very low	41	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	79%	0.789	S	S	*	*				-113.5	173.4	-77.1	33.5	-21.4	0	0	0	112.2
607	P	41.3	Very low	40.7	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	79%	0.788	S	S	*	*			trans	-87.5	166.4	-175.8	36.5	-36.7	0	0	0	114.1
608	A	38.3	Very low	40.6	Very low	86 Å²	86	130 Å²	130	71%	0.711	80%	0.795	S	S	*	*			trans	57	161.1	157	0	0	0	0	0	118.5
609	E	39.2	Very low	40.7	Very low	187 Å²	187	125.2 Å²	125.2	87%	0.874	79%	0.792	S	S	*	*			cis	-134.1	-178.5	-35.9	-120.7	163.3	121.6	0	0	107.2
610	G	37.5	Very low	41.1	Very low	69 Å²	69	124.2 Å²	124.2	71%	0.711	80%	0.797	S	S	*	*				76	115.2	51	0	0	0	0	0	110.4
611	A	37.8	Very low	41.2	Very low	96 Å²	96	118.5 Å²	118.5	79%	0.793	79%	0.788	S	S	*	*			cis	-161.2	164.9	-11.9	0	0	0	0	0	112.1
612	A	40.1	Very low	42	Very low	99 Å²	99	119.1 Å²	119.1	82%	0.818	79%	0.792	S	S	*	*			trans	74.3	167.6	146.4	0	0	0	0	0	120.5
613	P	53.5	Low	42.8	Very low	120 Å²	120	117.4 Å²	117.4	78%	0.779	78%	0.784	S	S	*	*			trans	-134.5	-146.7	-164.6	48.3	-29.7	0	0	0	111.2
614	P	51	Low	43.2	Very low	111 Å²	111	112.6 Å²	112.6	72%	0.721	78%	0.777	S	S	*	*			cis	-130.9	-171.2	-21.5	41.7	-25.1	0	0	0	114
615	A	39.2	Very low	43.5	Very low	86 Å²	86	112.8 Å²	112.8	71%	0.711	78%	0.778	S	S	*	*			trans	68.5	165.6	165.2	0	0	0	0	0	115.8
616	E	38.8	Very low	43.6	Very low	192 Å²	192	111.5 Å²	111.5	90%	0.897	77%	0.773	S	S	*	*			cis	-132.5	-159.4	-7.1	-154.8	148.4	156.1	0	0	111
617	G	36.9	Very low	43.5	Very low	69 Å²	69	111.1 Å²	111.1	71%	0.711	78%	0.78	S	S	*	*			trans	-86.4	-179.4	165.5	0	0	0	0	0	111.5
618	A	38.1	Very low	43.7	Very low	102 Å²	102	110.1 Å²	110.1	84%	0.843	78%	0.782	S	S	*	*			cis	-152.1	-178.7	-5.3	0	0	0	0	0	109
619	A	49	Very low	44.2	Very low	96 Å²	96	112 Å²	112	79%	0.793	79%	0.787	S	S	*	*			trans	-69.2	156.9	175.3	0	0	0	0	0	112.1
620	P	45.4	Very low	44.5	Very low	120 Å²	120	108 Å²	108	78%	0.779	79%	0.785	S	S	*	*				-145	174.8	98.3	40.4	-26.7	0	0	0	116.4
621	A	42.3	Very low	44.9	Very low	84 Å²	84	108.1 Å²	108.1	69%	0.694	78%	0.78	S	S	*	*			trans	53	116.9	149.8	0	0	0	0	0	121.9
622	P	57.8	Low	45.4	Very low	127 Å²	127	107.2 Å²	107.2	83%	0.825	77%	0.766	S	S	*	*			trans	-83.6	127.6	140.2	33.2	-27.2	0	0	0	110.6
623	P	54.3	Low	45.7	Very low	114 Å²	114	106.5 Å²	106.5	74%	0.74	76%	0.76	S	S	*	*			trans	-89.2	170.6	169.8	37	-34.7	0	0	0	112.1
624	A	44.5	Very low	45.3	Very low	87 Å²	87	110.4 Å²	110.4	72%	0.719	77%	0.768	S	S	*	*			trans	50.6	135.4	152.5	0	0	0	0	0	119.4
625	E	41.5	Very low	44.7	Very low	195 Å²	195	108.7 Å²	108.7	91%	0.911	77%	0.77	S	S	*	*			cis	-148.6	172.5	-2.4	-93.4	153	109.5	0	0	105.5
626	G	42.6	Very low	44.7	Very low	65 Å²	65	108.6 Å²	108.6	67%	0.67	77%	0.769	S	S	*	*			cis	171.1	-176.9	5.1	0	0	0	0	0	108.2
627	A	44.5	Very low	44.8	Very low	111 Å²	111	101.9 Å²	101.9	92%	0.917	75%	0.747	S	S	*	*			trans	63.8	107.9	179.7	0	0	0	0	0	117.4
628	A	45.4	Very low	45.1	Very low	96 Å²	96	102.6 Å²	102.6	79%	0.793	74%	0.739	S	S	*	*			trans	-104	-162.3	163.3	0	0	0	0	0	108.3
629	P	49.2	Very low	45.5	Very low	126 Å²	126	99.7 Å²	99.7	82%	0.818	72%	0.715	S	S	*	*			cis	-134.3	-153.1	-6.3	42.2	-22.6	0	0	0	113.5
630	A	46	Very low	45.2	Very low	102 Å²	102	98.2 Å²	98.2	84%	0.843	69%	0.692	S	S	*	*			trans	96.8	136.3	166.9	0	0	0	0	0	119.1
631	A	46.1	Very low	45.6	Very low	72 Å²	72	95.9 Å²	95.9	60%	0.595	68%	0.677	S	S	*	*			trans	-140.5	-172.1	176.2	0	0	0	0	0	106.7	E382	E382-A631 PolarHBondContact N-O 2.81Å
632	P	47.3	Very low	45.8	Very low	77 Å²	77	95.2 Å²	95.2	50%	0.5	67%	0.665	S	S	.	*			cis	-131.1	-134.1	-2.1	42.7	-23.8	0	0	0	112.6	A381 E382	A381-P632 WeakPolarHBondContact O-CD 3.33Å; E382-P632 VanDerWaalsContact C-CD 3.42Å; E382-P632 WeakPolarHBondContact O-CD 3.45Å
633	A	47.3	Very low	45	Very low	84 Å²	84	96.3 Å²	96.3	69%	0.694	66%	0.657	S	S	*	*			trans	77.5	170.9	166.8	0	0	0	0	0	120.3
634	E	44.2	Very low	44.3	Very low	203 Å²	203	95.6 Å²	95.6	95%	0.949	64%	0.644	S	S	*	*			trans	-92.4	-168.4	-153.8	-55.7	-175.5	83.2	0	0	116.3
635	G	39.3	Very low	44	Very low	74 Å²	74	94.7 Å²	94.7	76%	0.763	64%	0.642	S	S	*	*			trans	144.6	-27.6	153.4	0	0	0	0	0	120.9
636	A	39.3	Very low	44.1	Very low	84 Å²	84	89.4 Å²	89.4	69%	0.694	63%	0.632	S	S	*	*			trans	64.2	39.9	163.7	0	0	0	0	0	122.8
637	A	40.6	Very low	44.4	Very low	52 Å²	52	92.5 Å²	92.5	43%	0.43	63%	0.629	S	S	.	*			trans	73.3	144.3	132	0	0	0	0	0	124.2	K1297	A637-K1297 PolarHBondContact O-NZ 3.4Å
638	P	42.3	Very low	44.3	Very low	83 Å²	83	93.8 Å²	93.8	54%	0.539	63%	0.626	S	S	.	*			trans	-78	-150	150.5	38.3	-36.5	0	0	0	110.1
639	A	46.4	Very low	44.4	Very low	42 Å²	42	93.7 Å²	93.7	35%	0.347	63%	0.625	S	S	.	*			cis	-154.1	178.7	-4	0	0	0	0	0	109.3	V375	V375-A639 VanDerWaalsContact O-CB 3.23Å; V375-A639 WeakPolarHBondContact O-CB 3.28Å
640	E	43.4	Very low	44.1	Very low	65 Å²	65	92.3 Å²	92.3	30%	0.304	63%	0.625	S	S	.	*			trans	-120.6	-108.4	150.6	-67.3	-176.1	105.9	0	0	109.6	K371 K373 P374 V375 K1300	K371-E640 VanDerWaalsContact CE-OE1 3.31Å; K371-E640 WeakPolarHBondContact CE-OE1 3.2Å; K371-E640 WeakPolarHBondContact CE-OE2 3.41Å; K371-E640 IonicContact NZ-OE2 2.66Å; K371-E640 PolarHBondContact NZ-OE2 2.87Å; K373-E640 CarbonylContact C-O 3.52Å; K373-E640 CarbonylContact O-C 3.56Å; P374-E640 WeakPolarHBondContact CD-O 3.31Å; V375-E640 PolarHBondContact N-O 2.84Å; V375-E640 VanDerWaalsContact N-O 3.1Å; E640-K1300 IonicContact OE1-NZ 3.19Å; E640-K1300 PolarHBondContact OE1-NZ 2.65Å
641	P	53.8	Low	43.8	Very low	71 Å²	71	91.5 Å²	91.5	46%	0.461	62%	0.618	S	S	.	*				-121.5	177.6	-55.6	40.7	-28.5	0	0	0	114.2	K373 P374	K373-P641 CarbonylContact O-C 3.56Å; K373-P641 WeakPolarHBondContact O-CA 3.48Å; P374-P641 VanDerWaalsContact CD-O 3.25Å; P374-P641 WeakPolarHBondContact CD-O 3.38Å
642	P	45.6	Very low	43.4	Very low	70 Å²	70	97 Å²	97	46%	0.455	63%	0.628	S	S	.	*			cis	-75	-46.4	-35.8	-24.4	35.1	0	0	0	115.7	K371 E372 K373	K371-P642 HydrophobicContact CD-CB 4.34Å; K371-P642 HydrophobicContact CG-CB 4.16Å; E372-P642 CarbonylContact C-O 3.32Å; E372-P642 VanDerWaalsContact CA-O 3.28Å; E372-P642 WeakPolarHBondContact CA-O 3.37Å; E372-P642 VanDerWaalsContact CB-O 3.29Å; E372-P642 WeakPolarHBondContact CB-O 3.47Å; E372-P642 PolarHBondContact N-O 2.97Å; K373-P642 CarbonylContact O-C 2.82Å; K373-P642 VanDerWaalsContact O-C 3.3Å
643	K	41.4	Very low	43.5	Very low	150 Å²	150	98.4 Å²	98.4	65%	0.652	64%	0.637	S	S	*	*				-106.6	134	-56.8	-65.9	177	-177	-177.6	0	107.4	K373	K373-K643 PolarHBondContact O-N 3.49Å
644	E	39.4	Very low	43.2	Very low	99 Å²	99	98.5 Å²	98.5	46%	0.463	63%	0.633	S	S	.	*			trans	-161.3	145.2	-165.1	-162.6	178.2	-139.1	0	0	115	K370 K1301	K370-E644 WeakPolarHBondContact CG-OE2 3.44Å; E644-K1301 IonicContact OE1-NZ 2.65Å; E644-K1301 PolarHBondContact OE1-NZ 2.73Å
645	G	39.2	Very low	42.8	Very low	67 Å²	67	96.5 Å²	96.5	69%	0.691	62%	0.621	S	S	*	*			trans	115.1	146.6	161.6	0	0	0	0	0	117.2
646	A	43	Very low	42.7	Very low	85 Å²	85	101.6 Å²	101.6	70%	0.702	62%	0.622	S	S	*	*			cis	61	165.1	-11.5	0	0	0	0	0	118
647	E	48.8	Very low	42.5	Very low	129 Å²	129	102.9 Å²	102.9	60%	0.603	62%	0.622	S	S	*	*			cis	-167.8	73.2	30.3	-170.9	165.1	-89.5	0	0	113.1	K1304	E647-K1304 WeakPolarHBondContact OE1-CE 3.5Å; E647-K1304 IonicContact OE1-NZ 2.59Å; E647-K1304 PolarHBondContact OE1-NZ 2.63Å
648	T	43.1	Very low	42.2	Very low	138 Å²	138	109.5 Å²	109.5	85%	0.847	64%	0.641	S	S	*	*			trans	-167.9	178.1	171.8	-0.9	0	0	0	0	111
649	A	46.3	Very low	41.9	Very low	94 Å²	94	113.6 Å²	113.6	78%	0.777	65%	0.65	S	S	*	*			cis	-138.9	170.7	4.9	0	0	0	0	0	112.6
650	A	43.6	Very low	41.4	Very low	98 Å²	98	119.2 Å²	119.2	81%	0.81	67%	0.667	S	S	*	*			cis	-142.9	179.4	-3.7	0	0	0	0	0	108.2
651	A	40.4	Very low	41	Very low	84 Å²	84	124 Å²	124	69%	0.694	69%	0.686	S	S	*	*			cis	-144.4	144.4	-6.3	0	0	0	0	0	106.1
652	K	36.9	Very low	40	Very low	188 Å²	188	127.9 Å²	127.9	82%	0.817	70%	0.696	S	S	*	*				59.2	148.1	64.7	-73.5	178.8	-176.1	170.2	0	113.5
653	P	49.9	Very low	39.6	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	71%	0.709	S	S	*	*			cis	-147.4	179	-25.3	40.4	-22.4	0	0	0	116.4
654	S	40.1	Very low	39.3	Very low	86 Å²	86	134.4 Å²	134.4	60%	0.601	72%	0.717	S	S	*	*			trans	72.5	163.9	146.9	-71.5	0	0	0	0	119.6
655	K	36.6	Very low	39	Very low	161 Å²	161	134.1 Å²	134.1	70%	0.7	73%	0.726	S	S	*	*			cis	-155.2	138.8	-11.7	-110.6	151.4	-158.9	156.6	0	110.6
656	K	36.6	Very low	38.9	Very low	181 Å²	181	140.2 Å²	140.2	79%	0.787	73%	0.734	S	S	*	*			trans	39.8	150.4	136.3	-59.3	-179.7	-179.9	174	0	122.4
657	T	34.2	Very low	38.7	Very low	112 Å²	112	144.8 Å²	144.8	69%	0.687	74%	0.738	S	S	*	*			cis	-179.4	158	-22.7	37.2	0	0	0	0	110.1
658	K	34.4	Very low	38.1	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	74%	0.742	S	S	*	*			trans	73.1	150.9	158.9	-75	167.5	178.3	167.6	0	115.4
659	K	36	Very low	38.1	Very low	169 Å²	169	145.3 Å²	145.3	74%	0.735	74%	0.739	S	S	*	*			cis	-155.4	138.4	16.6	-143.1	177.6	-173.9	170.4	0	114.2
660	K	35.8	Very low	37.8	Very low	160 Å²	160	148 Å²	148	70%	0.696	73%	0.733	S	S	*	*			trans	75.5	126.1	138.7	-111.7	179.8	-179.3	177.4	0	121.8
661	K	35.7	Very low	37.6	Very low	165 Å²	165	150.3 Å²	150.3	72%	0.717	73%	0.727	S	S	*	*			trans	79.5	151.7	132.6	-105.4	-178.8	179.8	-175.9	0	116.8
662	K	33.3	Very low	37.5	Very low	153 Å²	153	152.3 Å²	152.3	67%	0.665	73%	0.731	S	S	*	*			cis	-158.7	142.9	10.8	-171.5	176.7	175.4	-167.3	0	113.6
663	K	36.9	Very low	37.7	Very low	169 Å²	169	148.9 Å²	148.9	74%	0.735	73%	0.728	S	S	*	*			trans	66.8	134.2	162.3	-83.6	-172	171.7	-168.2	0	115.2
664	K	35.9	Very low	37.1	Very low	187 Å²	187	148.4 Å²	148.4	81%	0.813	73%	0.732	S	S	*	*				68.8	144.2	59.8	-75.9	-159.1	178.7	-163.2	0	112.5
665	S	33	Very low	36.8	Very low	93 Å²	93	153.6 Å²	153.6	65%	0.65	75%	0.747	S	S	*	*			cis	175	143.4	-14.1	51.6	0	0	0	0	109.3
666	K	36.9	Very low	36.9	Very low	195 Å²	195	150.9 Å²	150.9	85%	0.848	76%	0.755	S	S	*	*			trans	179.1	128.1	141.5	-101	167.4	-179.9	-174	0	107.4
667	K	38.4	Very low	37.1	Very low	182 Å²	182	146.7 Å²	146.7	79%	0.791	75%	0.754	S	S	*	*				76.5	80.4	77	-160.8	178	-175.5	172.3	0	109.3
668	S	35.8	Very low	38.1	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	76%	0.757	S	S	*	*				76.4	123.9	73.9	74.9	0	0	0	0	114.5
669	K	42.9	Very low	38.8	Very low	179 Å²	179	143.3 Å²	143.3	78%	0.778	75%	0.754	S	S	*	*			trans	-160	138.7	137.8	-94.8	-155.8	174.6	-175	0	105.7
670	K	40.2	Very low	39.1	Very low	149 Å²	149	139.1 Å²	139.1	65%	0.648	75%	0.75	S	S	*	*				71	123.5	58.8	-172.3	175.8	160.7	147	0	108.2
671	E	38.6	Very low	39.4	Very low	148 Å²	148	140.3 Å²	140.3	69%	0.692	76%	0.758	S	S	*	*			cis	-146.7	151.3	35.9	-135.2	138.9	178.3	0	0	113.7
672	T	38.9	Very low	39.6	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	76%	0.763	S	S	*	*			trans	-78.9	-177.6	149.9	29.4	0	0	0	0	109.6
673	P	42.6	Very low	39.8	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	77%	0.771	S	S	*	*			cis	-100.3	174.1	9.6	5.8	20	0	0	0	113.3
674	A	36.2	Very low	40.2	Very low	95 Å²	95	130.1 Å²	130.1	79%	0.785	77%	0.773	S	S	*	*			cis	86.2	170.8	35.1	0	0	0	0	0	114.7
675	E	33.8	Very low	41.4	Very low	195 Å²	195	127 Å²	127	91%	0.911	77%	0.771	S	S	*	*			trans	84.2	101	175.2	-152.9	173.5	145.1	0	0	118.3
676	A	39.1	Very low	42.4	Very low	104 Å²	104	127.7 Å²	127.7	86%	0.86	77%	0.774	S	S	*	*			trans	-179.4	106.7	144.7	0	0	0	0	0	111.2
677	A	40.4	Very low	42.7	Very low	94 Å²	94	122.4 Å²	122.4	78%	0.777	77%	0.767	S	S	*	*			trans	-171.1	171.2	170.8	0	0	0	0	0	107.8
678	P	55.5	Low	43	Very low	114 Å²	114	119.8 Å²	119.8	74%	0.74	76%	0.757	S	S	*	*			cis	-104.1	-125.7	-13	36.6	-18.2	0	0	0	109
679	P	48.4	Very low	43.2	Very low	118 Å²	118	118.1 Å²	118.1	77%	0.766	76%	0.756	S	S	*	*			cis	-86.2	173.7	2.5	0.5	22.1	0	0	0	113
680	A	42.2	Very low	43.4	Very low	81 Å²	81	114.5 Å²	114.5	67%	0.669	76%	0.759	S	S	*	*			cis	107.8	169.8	16.1	0	0	0	0	0	114.7
681	E	42.4	Very low	43.6	Very low	184 Å²	184	111.6 Å²	111.6	86%	0.86	76%	0.763	S	S	*	*			trans	70.7	144	-172.7	-56.6	178.2	106.4	0	0	117.1
682	G	40.4	Very low	43.8	Very low	80 Å²	80	109.4 Å²	109.4	83%	0.825	77%	0.771	S	S	*	*			cis	161.2	111.7	-11.4	0	0	0	0	0	115
683	A	37.6	Very low	44.3	Very low	99 Å²	99	107.6 Å²	107.6	82%	0.818	77%	0.768	S	S	*	*			trans	168	113.5	159	0	0	0	0	0	107.4
684	A	44	Very low	45.1	Very low	95 Å²	95	108 Å²	108	79%	0.785	77%	0.771	S	S	*	*			cis	84.2	154.3	33.6	0	0	0	0	0	113.7
685	P	62.5	Low	45.9	Very low	120 Å²	120	108.8 Å²	108.8	78%	0.779	77%	0.768	S	S	*	*			cis	-89.4	-163.6	-9.8	39.9	-36.9	0	0	0	111.9
686	P	53.8	Low	46.5	Very low	108 Å²	108	103.9 Å²	103.9	70%	0.701	76%	0.761	S	S	*	*			cis	-98.7	-112.4	-19.6	15.9	7.1	0	0	0	111.4
687	A	43.8	Very low	46.8	Very low	85 Å²	85	108.1 Å²	108.1	70%	0.702	76%	0.763	S	S	*	*			cis	-169.2	157.3	6.7	0	0	0	0	0	108.7
688	E	43.5	Very low	46.8	Very low	126 Å²	126	107.2 Å²	107.2	59%	0.589	76%	0.762	S	S	*	*			cis	-156.5	171.2	-8.8	-112.7	-32	121.2	0	0	110.6
689	G	41.4	Very low	46.5	Very low	64 Å²	64	106.4 Å²	106.4	66%	0.66	77%	0.766	S	S	*	*			trans	-80	167.3	172.5	0	0	0	0	0	114.6
690	A	46.3	Very low	46.6	Very low	103 Å²	103	106.3 Å²	106.3	85%	0.851	77%	0.765	S	S	*	*			cis	-167.1	167.9	-16.6	0	0	0	0	0	106.6
691	A	44	Very low	46.8	Very low	89 Å²	89	106.3 Å²	106.3	74%	0.736	77%	0.765	S	S	*	*			cis	-155.5	168.1	3.1	0	0	0	0	0	111
692	A	42.5	Very low	46.8	Very low	102 Å²	102	100.4 Å²	100.4	84%	0.843	75%	0.748	S	S	*	*			trans	64.2	158.8	150.5	0	0	0	0	0	120.9
693	A	50.5	Low	47.6	Very low	88 Å²	88	99.4 Å²	99.4	73%	0.727	73%	0.727	S	S	*	*			cis	-167.4	178.7	-31.3	0	0	0	0	0	107.7
694	P	59.2	Low	48	Very low	123 Å²	123	100.3 Å²	100.3	80%	0.799	72%	0.724	S	S	*	*				-121.1	-121.6	-110.5	28	-1.4	0	0	0	116.1
695	P	53.2	Low	47.9	Very low	112 Å²	112	100.3 Å²	100.3	73%	0.727	72%	0.724	S	S	*	*				-133.6	-158.1	-114	45.3	-27.3	0	0	0	115.6
696	A	46.7	Very low	47	Very low	92 Å²	92	103.7 Å²	103.7	76%	0.76	73%	0.729	S	S	*	*			trans	79.1	159.3	166.5	0	0	0	0	0	115.4
697	E	44.2	Very low	46.4	Very low	194 Å²	194	102 Å²	102	91%	0.907	73%	0.732	S	S	*	*			cis	-153.9	179.9	-2.9	-145.3	-174.8	168	0	0	111.1
698	G	40.1	Very low	46.3	Very low	74 Å²	74	102.8 Å²	102.8	76%	0.763	74%	0.739	S	S	*	*			trans	106.2	149.7	148.5	0	0	0	0	0	117.9
699	A	49.7	Very low	46.1	Very low	98 Å²	98	101.8 Å²	101.8	81%	0.81	75%	0.752	S	S	*	*			trans	-142.6	-132.2	-179.6	0	0	0	0	0	113.9
700	P	50.9	Low	46.5	Very low	115 Å²	115	103.1 Å²	103.1	75%	0.747	75%	0.749	S	S	*	*				-122	164.2	-107.8	36.5	-20.7	0	0	0	116.5
701	A	45.1	Very low	46.2	Very low	81 Å²	81	101.2 Å²	101.2	67%	0.669	73%	0.733	S	S	*	*			trans	-152.5	159.1	179.7	0	0	0	0	0	116.8
702	A	43.8	Very low	46.4	Very low	61 Å²	61	103.5 Å²	103.5	50%	0.504	73%	0.729	S	S	.	*			trans	-116.9	171.8	-164.4	0	0	0	0	0	115.7	V149	V149-A702 HydrophobicContact CB-CB 3.7Å; V149-A702 HydrophobicContact CG2-CB 3.78Å
703	P	56.4	Low	47.3	Very low	59 Å²	59	103.1 Å²	103.1	38%	0.383	72%	0.717	S	S	.	*			trans	-105.3	-170.7	180	43.5	-38	0	0	0	114.1	P147	P147-P703 WeakPolarHBondContact O-CB 2.92Å; P147-P703 WeakPolarHBondContact O-CD 2.86Å; P147-P703 WeakPolarHBondContact O-CG 3.03Å
704	P	47	Very low	47.5	Very low	117 Å²	117	102.2 Å²	102.2	76%	0.76	70%	0.704	S	S	*	*				-151	150.5	104.7	38.1	-21.6	0	0	0	118
705	A	41.2	Very low	47.3	Very low	96 Å²	96	102.1 Å²	102.1	79%	0.793	69%	0.691	S	S	*	*			trans	58.1	-170.1	156.9	0	0	0	0	0	115.8
706	E	44.1	Very low	47	Very low	190 Å²	190	101 Å²	101	89%	0.888	68%	0.676	S	S	*	*			cis	-120.9	-157.8	-2.9	-57.8	-175.8	79.4	0	0	111.1
707	G	41.1	Very low	46.9	Very low	74 Å²	74	99.2 Å²	99.2	76%	0.763	67%	0.666	S	S	*	*			cis	88.8	130.4	47.8	0	0	0	0	0	110.6
708	A	40.8	Very low	47	Very low	101 Å²	101	92.3 Å²	92.3	84%	0.835	64%	0.643	S	S	*	*			cis	-151.2	-174.9	-5.7	0	0	0	0	0	109.9	P710	A708-P710 WeakPolarHBondContact O-CD 3.31Å
709	A	40.7	Very low	47.3	Very low	104 Å²	104	93.8 Å²	93.8	86%	0.86	63%	0.63	S	S	*	*			trans	-92.5	131.8	-179	0	0	0	0	0	114.2
710	P	49.8	Very low	46.8	Very low	93 Å²	93	93.6 Å²	93.6	60%	0.604	62%	0.618	S	S	*	*			trans	-106.8	172.7	147.2	38	-31.1	0	0	0	111.1	A708	A708-P710 WeakPolarHBondContact O-CD 3.31Å
711	A	40.1	Very low	46.5	Very low	62 Å²	62	92.8 Å²	92.8	51%	0.512	62%	0.621	S	S	.	*			cis	-166.4	172.1	-25.3	0	0	0	0	0	108.3	A138	A138-A711 CarbonylContact C-O 3.12Å; A138-A711 VanDerWaalsContact O-O 3.06Å
712	E	46.3	Very low	46.3	Very low	138 Å²	138	93.3 Å²	93.3	65%	0.645	63%	0.626	S	S	*	*			trans	-140.8	119.3	171.6	-85.7	-151	141.5	0	0	109.8	A137 A138	A137-E712 WeakPolarHBondContact CA-OE1 3.28Å; A137-E712 HydrophobicContact CB-CG 4.43Å; A137-E712 VanDerWaalsContact CB-OE1 3.27Å; A137-E712 WeakPolarHBondContact CB-OE1 3.19Å; A138-E712 VanDerWaalsContact N-CA 3.33Å
713	P	61.6	Low	46.3	Very low	94 Å²	94	94.8 Å²	94.8	61%	0.61	64%	0.638	S	S	*	*			trans	-115	140.4	130.3	-18.1	35.1	0	0	0	123.8	G136 A137 A138	G136-P713 CarbonylContact O-C 3.25Å; G136-P713 WeakPolarHBondContact O-CA 3.43Å; A137-P713 VanDerWaalsContact C-C 3.4Å; A137-P713 CarbonylContact C-O 3.6Å; A138-P713 PolarHBondContact N-O 3.29Å
714	P	54.5	Low	45.5	Very low	69 Å²	69	101.3 Å²	101.3	45%	0.448	66%	0.66	S	S	.	*			trans	-100.4	-169.6	-130.9	3.4	-1.5	0	0	0	134.4	G136 A137	G136-P714 WeakPolarHBondContact CA-O 3.1Å; G136-P714 PolarHBondContact N-O 2.94Å; G136-P714 WeakPolarHBondContact O-CB 3.29Å; G136-P714 WeakPolarHBondContact O-CD 3.19Å; G136-P714 WeakPolarHBondContact O-CG 3.28Å; G136-P714 VanDerWaalsContact O-N 3.15Å; A137-P714 HydrophobicContact CB-CB 3.95Å
715	K	55.5	Low	45.7	Very low	121 Å²	121	100.8 Å²	100.8	53%	0.526	66%	0.657	S	S	.	*			trans	27.2	-173.6	138.5	-62.8	149.9	43.9	-88.7	0	120.4	K135	K135-K715 PolarHBondContact O-NZ 2.91Å
716	E	48.2	Very low	45.6	Very low	88 Å²	88	100.1 Å²	100.1	41%	0.411	65%	0.646	S	S	.	*			cis	-142.9	-174.3	-2.6	-122	123.6	-34.9	0	0	108.7	E133 K135	E133-E716 WeakPolarHBondContact O-CB 3.08Å; E133-E716 WeakPolarHBondContact O-CG 3.03Å; K135-E716 WeakPolarHBondContact CA-OE1 3.34Å; K135-E716 PolarHBondContact N-OE1 3.43Å
717	G	43.4	Very low	45.4	Very low	54 Å²	54	99 Å²	99	56%	0.557	64%	0.639	S	S	*	*			cis	-149.1	164.3	3.8	0	0	0	0	0	110.9
718	A	47.6	Very low	45.4	Very low	49 Å²	49	103.4 Å²	103.4	41%	0.405	64%	0.637	S	S	.	*				74.4	125.9	66.1	0	0	0	0	0	111	E131 S132	E131-A718 CarbonylContact C-O 3.32Å; E131-A718 WeakPolarHBondContact CA-O 3.36Å; S132-A718 PolarHBondContact N-O 3.46Å; S132-A718 WeakPolarHBondContact O-CB 3.33Å
719	E	45.7	Very low	45.3	Very low	106 Å²	106	104 Å²	104	50%	0.495	63%	0.63	S	S	.	*			cis	-135.8	149.5	9.2	-87.1	-137.3	91.3	0	0	112.3	V130	V130-E719 HydrophobicContact CB-CB 4.18Å; V130-E719 HydrophobicContact CG2-CB 3.59Å
720	T	39.3	Very low	45.1	Very low	93 Å²	93	106.5 Å²	106.5	57%	0.571	62%	0.622	S	S	*	*				62.6	152.3	80.7	99.7	0	0	0	0	115.8
721	A	44.2	Very low	44.7	Very low	98 Å²	98	109.8 Å²	109.8	81%	0.81	63%	0.627	S	S	*	*			cis	-112.1	-108.8	1.3	0	0	0	0	0	113.9
722	A	41.3	Very low	44.7	Very low	92 Å²	92	115.1 Å²	115.1	76%	0.76	64%	0.638	S	S	*	*			cis	-154.8	-173.3	3.8	0	0	0	0	0	111.1
723	A	42.9	Very low	44.4	Very low	92 Å²	92	116.5 Å²	116.5	76%	0.76	64%	0.642	S	S	*	*			trans	-66.7	143.5	-176.5	0	0	0	0	0	112.7
724	K	39.8	Very low	43.2	Very low	197 Å²	197	117.1 Å²	117.1	86%	0.857	64%	0.635	S	S	*	*			cis	58.8	149.9	47.8	-69.3	179.5	-178.4	169	0	112.9
725	P	51.1	Low	42.5	Very low	105 Å²	105	120.9 Å²	120.9	68%	0.682	64%	0.644	S	S	*	*			cis	-134.3	-161.7	-20.8	30.3	-7.5	0	0	0	111.9
726	S	40.1	Very low	41.7	Very low	82 Å²	82	120.6 Å²	120.6	57%	0.573	64%	0.643	S	S	*	*			trans	79.2	150.4	142.4	-66.5	0	0	0	0	119.9
727	K	40.5	Very low	41.5	Very low	167 Å²	167	121.7 Å²	121.7	73%	0.726	66%	0.66	S	S	*	*			cis	-155	158.6	-21.9	-114.5	159.8	-163.8	167.8	0	107.8
728	K	39.6	Very low	41.2	Very low	166 Å²	166	128.9 Å²	128.9	72%	0.722	68%	0.676	S	S	*	*			trans	40.3	112.6	146	-64.7	175.5	-178.7	178.9	0	116.8
729	T	38.6	Very low	41	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	68%	0.683	S	S	*	*				58.2	146.8	62.3	90.8	0	0	0	0	110.9
730	K	37.9	Very low	40.8	Very low	157 Å²	157	131.6 Å²	131.6	68%	0.683	69%	0.688	S	S	*	*			cis	167.8	165.5	18.4	114	-148.5	-174.9	-176.6	0	110.6
731	K	40	Very low	41	Very low	162 Å²	162	132.2 Å²	132.2	70%	0.704	68%	0.683	S	S	*	*			trans	71.3	135.7	166.9	-76.1	165.6	-177	-178.5	0	115.2
732	K	39.7	Very low	40.8	Very low	173 Å²	173	131 Å²	131	75%	0.752	66%	0.659	S	S	*	*			cis	82.6	149.1	37.1	178.3	-169.6	-176	167.7	0	111.8
733	K	40	Very low	40.8	Very low	167 Å²	167	132 Å²	132	73%	0.726	65%	0.648	S	S	*	*			trans	75.2	167.1	173.4	-95.6	173.7	177.3	-177.5	0	111.6
734	K	37.9	Very low	40.5	Very low	108 Å²	108	130.1 Å²	130.1	47%	0.47	63%	0.628	S	S	.	*			cis	-147.8	108.6	28	-155.8	178.3	-163.3	-166.8	0	116.4	A1091 E1092	K734-A1091 PolarHBondContact NZ-O 2.92Å; K734-E1092 WeakPolarHBondContact CE-OE1 3Å; K734-E1092 IonicContact NZ-OE1 2.62Å; K734-E1092 PolarHBondContact NZ-OE1 2.82Å
735	K	39.3	Very low	41.2	Very low	147 Å²	147	125 Å²	125	64%	0.639	61%	0.614	S	S	*	*			trans	63.5	-153.6	153.1	-45.7	169.5	176	170.4	0	113.8	E1092	K735-E1092 IonicContact NZ-OE1 2.71Å; K735-E1092 PolarHBondContact NZ-OE1 3.38Å; K735-E1092 VanDerWaalsContact NZ-OE1 3.11Å
736	K	38.6	Very low	40.9	Very low	116 Å²	116	123.1 Å²	123.1	50%	0.504	61%	0.608	S	S	.	*			cis	-160	154	23.1	-148	178.4	-174.4	-178	0	116.6	E1092	K736-E1092 WeakPolarHBondContact CE-OE2 3Å; K736-E1092 IonicContact NZ-OE2 2.75Å; K736-E1092 PolarHBondContact NZ-OE2 2.91Å
737	S	43.1	Very low	40.8	Very low	110 Å²	110	127.7 Å²	127.7	77%	0.769	62%	0.62	S	S	*	*			trans	84.1	166.2	146.7	82.4	0	0	0	0	118.8
738	K	37.6	Very low	40.8	Very low	205 Å²	205	124.6 Å²	124.6	89%	0.891	63%	0.626	S	S	*	*			cis	-160.1	146.8	1.8	-158.1	-177.8	179.7	-175	0	106
739	K	44.1	Very low	41.2	Very low	127 Å²	127	121.2 Å²	121.2	55%	0.552	63%	0.628	S	S	*	*			cis	-147.9	171.4	-10.3	-179.7	-151.3	164.9	-172.9	0	105.4	E431 G432	E431-K739 VanDerWaalsContact O-CE 3.31Å; E431-K739 WeakPolarHBondContact O-CE 3.44Å; E431-K739 PolarHBondContact O-NZ 2.9Å; G432-K739 PolarHBondContact O-NZ 2.87Å
740	S	40.9	Very low	42.6	Very low	86 Å²	86	121.6 Å²	121.6	60%	0.601	63%	0.633	S	S	*	*			trans	73.5	153	141.8	40	0	0	0	0	121.4
741	K	44.1	Very low	43.5	Very low	106 Å²	106	119.8 Å²	119.8	46%	0.461	64%	0.637	S	S	.	*			cis	-161.6	151.9	2.6	-118.4	156	95.7	176.9	0	112.8	E431 G432 A433	E431-K741 WeakPolarHBondContact O-CD 3.06Å; E431-K741 WeakPolarHBondContact O-CG 3.35Å; G432-K741 WeakPolarHBondContact O-CE 3.1Å; G432-K741 PolarHBondContact O-NZ 3.49Å; A433-K741 PolarHBondContact O-NZ 3.16Å
742	K	40.4	Very low	43.9	Very low	72 Å²	72	116.1 Å²	116.1	31%	0.313	64%	0.637	S	S	.	*				40.6	134.1	120.8	-155.8	155.5	-162.2	167.1	0	118.3	K430 E431	K430-K742 PolarHBondContact O-N 2.72Å; E431-K742 IonicContact OE1-NZ 2.76Å; E431-K742 PolarHBondContact OE1-NZ 3.49Å; E431-K742 IonicContact OE2-NZ 2.58Å; E431-K742 PolarHBondContact OE2-NZ 2.58Å
743	E	40	Very low	44	Very low	113 Å²	113	116.7 Å²	116.7	53%	0.528	64%	0.643	S	S	.	*			cis	-157.6	142.7	16.8	-158.4	133.8	-142.4	0	0	114.2	P428 P429	P428-E743 CarbonylContact O-C 2.91Å; P428-E743 WeakPolarHBondContact O-CA 3.18Å; P429-E743 HydrophobicContact CB-CG 4.33Å
744	T	37	Very low	44.1	Very low	53 Å²	53	111.6 Å²	111.6	33%	0.325	64%	0.638	S	S	.	*			trans	178.4	-179.5	134.3	14.7	0	0	0	0	112	A426 E427 P428 P429	A426-T744 HydrophobicContact CB-CG2 3.86Å; E427-T744 WeakPolarHBondContact CA-OG1 3.5Å; E427-T744 PolarHBondContact N-OG1 3.44Å; E427-T744 CarbonylContact O-C 3.3Å; E427-T744 WeakPolarHBondContact O-CA 3.34Å; E427-T744 WeakPolarHBondContact O-CB 3.34Å; E427-T744 PolarHBondContact O-N 3.1Å; E427-T744 PolarHBondContact O-OG1 2.92Å; P428-T744 PolarHBondContact O-N 2.62Å; P429-T744 WeakPolarHBondContact CB-O 3.41Å; P429-T744 WeakPolarHBondContact CG-O 3.45Å
745	P	55	Low	44.4	Very low	89 Å²	89	111.3 Å²	111.3	58%	0.578	66%	0.656	S	S	*	*			trans	-107.4	-159.4	170	43.1	-33.8	0	0	0	111.5	A426	A426-P745 WeakPolarHBondContact CB-O 3.35Å
746	A	43.6	Very low	44.6	Very low	66 Å²	66	108.6 Å²	108.6	55%	0.545	66%	0.66	S	S	.	*			cis	-149.9	-114.5	7.7	0	0	0	0	0	112.9	P425	P425-A746 HydrophobicContact CG-CB 4.09Å
747	E	39	Very low	45.5	Very low	177 Å²	177	108.9 Å²	108.9	83%	0.827	67%	0.674	S	S	*	*			trans	-122.9	173.3	-155.5	-73.5	154.9	84.3	0	0	113.8
748	A	41.2	Very low	46.2	Very low	103 Å²	103	109.4 Å²	109.4	85%	0.851	68%	0.675	S	S	*	*			cis	-136.5	-179.9	4.3	0	0	0	0	0	112.6
749	A	48.1	Very low	46.4	Very low	94 Å²	94	104.3 Å²	104.3	78%	0.777	67%	0.671	S	S	*	*			trans	-118.6	166.2	-156.3	0	0	0	0	0	116.3
750	P	67.6	Low	46.4	Very low	122 Å²	122	108.1 Å²	108.1	79%	0.792	69%	0.691	S	S	*	*			trans	-98	-166.2	173.7	41.1	-35.6	0	0	0	112.3
751	P	57.2	Low	46.3	Very low	120 Å²	120	107 Å²	107	78%	0.779	69%	0.693	S	S	*	*				-150.1	165.2	118.4	39.5	-24.3	0	0	0	118.5
752	A	47.8	Very low	46.2	Very low	85 Å²	85	107.1 Å²	107.1	70%	0.702	71%	0.713	S	S	*	*			trans	68.3	146.6	144.9	0	0	0	0	0	122.4
753	E	41.8	Very low	46.3	Very low	184 Å²	184	108 Å²	108	86%	0.86	73%	0.734	S	S	*	*			cis	-167.3	178.2	-22.5	-105.8	-37.4	90.9	0	0	108.3
754	G	42.8	Very low	46.3	Very low	61 Å²	61	107.5 Å²	107.5	63%	0.629	75%	0.75	S	S	*	*			cis	168.2	-45.3	-5.4	0	0	0	0	0	116.1
755	A	43.6	Very low	46.7	Very low	102 Å²	102	109.5 Å²	109.5	84%	0.843	77%	0.772	S	S	*	*			trans	-102	157.5	-161.9	0	0	0	0	0	116
756	A	42.3	Very low	47	Very low	89 Å²	89	110.8 Å²	110.8	74%	0.736	78%	0.78	S	S	*	*			cis	-167.9	151.9	-23.4	0	0	0	0	0	110.7
757	P	58.1	Low	47.4	Very low	122 Å²	122	113.4 Å²	113.4	79%	0.792	79%	0.791	S	S	*	*			trans	-128.2	137.7	171.4	37.7	-24.6	0	0	0	115.9
758	P	57.4	Low	47.6	Very low	122 Å²	122	109.6 Å²	109.6	79%	0.792	79%	0.79	S	S	*	*			trans	-100.5	145	152.8	4	16.9	0	0	0	110.4
759	A	42.3	Very low	47.9	Very low	98 Å²	98	114.5 Å²	114.5	81%	0.81	80%	0.795	S	S	*	*			cis	84.9	90.5	31	0	0	0	0	0	114.7
760	E	43.7	Very low	47.6	Very low	207 Å²	207	113.7 Å²	113.7	97%	0.967	80%	0.796	S	S	*	*			trans	-146.1	161.5	154.7	-147.5	-175.3	-162.3	0	0	109.7
761	G	39.8	Very low	46.7	Very low	63 Å²	63	112.6 Å²	112.6	65%	0.649	80%	0.798	S	S	*	*			trans	-176.3	-168.8	-177.1	0	0	0	0	0	114.3
762	A	41	Very low	46.8	Very low	107 Å²	107	113.1 Å²	113.1	88%	0.884	80%	0.801	S	S	*	*			trans	71.6	160.3	-164.4	0	0	0	0	0	113.3
763	A	43.4	Very low	47	Very low	91 Å²	91	113.3 Å²	113.3	75%	0.752	80%	0.802	S	S	*	*			cis	-145.2	157.1	6.8	0	0	0	0	0	114.2
764	A	40.5	Very low	48.2	Very low	103 Å²	103	110.1 Å²	110.1	85%	0.851	80%	0.798	S	S	*	*			trans	66.1	148.6	143.7	0	0	0	0	0	122.2
765	A	43.8	Very low	49.5	Very low	95 Å²	95	113.4 Å²	113.4	79%	0.785	81%	0.808	S	S	*	*			trans	-144.6	-156.4	174.1	0	0	0	0	0	109.3
766	P	62.5	Low	49.6	Very low	116 Å²	116	113.1 Å²	113.1	75%	0.753	81%	0.806	S	S	*	*				-107.1	179.3	-109.1	41.3	-29	0	0	0	115
767	P	51	Low	49.7	Very low	120 Å²	120	113.4 Å²	113.4	78%	0.779	81%	0.808	S	S	*	*				-123.7	158	120.6	4.6	16.9	0	0	0	111.1
768	A	44.6	Very low	49	Very low	97 Å²	97	116.5 Å²	116.5	80%	0.802	81%	0.812	S	S	*	*			cis	92.7	76.7	29.1	0	0	0	0	0	115.4
769	E	45.7	Very low	48.9	Very low	206 Å²	206	115.6 Å²	115.6	96%	0.963	81%	0.808	S	S	*	*			trans	-150.3	145.2	154.6	-83.6	-175.1	122.8	0	0	105.5
770	G	43.2	Very low	49.5	Very low	77 Å²	77	115 Å²	115	79%	0.794	80%	0.796	S	S	*	*			cis	-166.2	160.4	-10	0	0	0	0	0	108.5
771	A	48.1	Very low	49.7	Very low	100 Å²	100	106.5 Å²	106.5	83%	0.826	76%	0.761	S	S	*	*			trans	-112.4	153.8	176.8	0	0	0	0	0	110.9
772	P	59.5	Low	50.3	Low	130 Å²	130	106.6 Å²	106.6	84%	0.844	75%	0.751	S	S	*	*			trans	-119	165.3	135.3	35.4	-30.7	0	0	0	111.9
773	A	51.6	Low	50.4	Low	89 Å²	89	104.1 Å²	104.1	74%	0.736	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-92.7	159.2	-171.3	0	0	0	0	0	113.5
774	P	67.8	Low	50.5	Low	118 Å²	118	107.6 Å²	107.6	77%	0.766	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-74.2	139.1	155.5	32.8	-32	0	0	0	109.8
775	P	70	Confident	50.6	Low	130 Å²	130	109.9 Å²	109.9	84%	0.844	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-71.6	136.6	178.9	27.8	-33.6	0	0	0	112.7
776	A	44.8	Very low	50.8	Low	96 Å²	96	109.4 Å²	109.4	79%	0.793	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-81.5	167.3	152.9	0	0	0	0	0	109.2
777	A	45.5	Very low	50	Low	94 Å²	94	109.5 Å²	109.5	78%	0.777	72%	0.716	S	S	*	*			cis	-179.3	152.6	-25.9	0	0	0	0	0	108.5
778	E	41.8	Very low	49.8	Very low	187 Å²	187	108.3 Å²	108.3	87%	0.874	70%	0.702	S	S	*	*			trans	-145.2	146.6	171.2	-90.6	-164.1	90.7	0	0	115
779	S	56.2	Low	50.1	Low	104 Å²	104	107.3 Å²	107.3	73%	0.727	69%	0.688	S	S	*	*			trans	-176.4	110.9	171.5	-81.8	0	0	0	0	117.4
780	P	55.5	Low	50.3	Low	85 Å²	85	103.4 Å²	103.4	55%	0.552	67%	0.671	S	S	*	*			trans	-128	158.5	174.7	38.7	-26.8	0	0	0	116.1	K289	K289-P780 WeakPolarHBondContact CB-O 3.37Å
781	A	47.5	Very low	50.4	Low	28 Å²	28	108.2 Å²	108.2	23%	0.231	67%	0.67	C	S	.	*			cis	-163.6	132.9	-17.6	0	0	0	0	0	111.5	K288 K289	K288-A781 HydrophobicContact CD-CB 3.75Å; K288-A781 HydrophobicContact CG-CB 4.31Å; K289-A781 WeakPolarHBondContact CD-O 3.36Å; K289-A781 WeakPolarHBondContact CE-O 3.44Å; K289-A781 WeakPolarHBondContact CG-O 3.42Å; K289-A781 PolarHBondContact NZ-O 3.39Å
782	P	52.4	Low	50.3	Low	66 Å²	66	110.3 Å²	110.3	43%	0.429	67%	0.672	S	S	.	*				-61	172.1	-122.7	41.9	-38.1	0	0	0	121.6	K287 K288 K289	K287-P782 HydrophobicContact CG-CB 4.46Å; K288-P782 HydrophobicContact CG-CB 4.3Å; K289-P782 WeakPolarHBondContact CE-O 3.41Å; K289-P782 PolarHBondContact NZ-O 3.22Å
783	G	42.4	Very low	49.9	Very low	55 Å²	55	109.7 Å²	109.7	57%	0.567	67%	0.668	S	S	*	*			trans	155.1	140.5	152.8	0	0	0	0	0	116.4
784	Q	45.5	Very low	50.5	Low	164 Å²	164	111.1 Å²	111.1	77%	0.766	67%	0.67	S	S	*	*			cis	-156.5	157.7	-8.2	-101.6	176.5	-80.7	0	0	110.8
785	E	43.3	Very low	49.9	Very low	151 Å²	151	110.6 Å²	110.6	71%	0.706	67%	0.667	S	S	*	*			trans	41	152.9	156.9	-79	83.5	-87.2	0	0	123.3
786	A	47.4	Very low	48.7	Very low	85 Å²	85	111 Å²	111	70%	0.702	66%	0.662	S	S	*	*			cis	-155.6	156.4	0.4	0	0	0	0	0	113.5
787	E	47.1	Very low	48.9	Very low	118 Å²	118	109.8 Å²	109.8	55%	0.551	65%	0.645	S	S	*	*			trans	62.9	155.2	154.6	-61.1	-74	73.8	0	0	122	K281	K281-E787 WeakPolarHBondContact CD-OE2 3.23Å; K281-E787 WeakPolarHBondContact CE-OE2 3.25Å; K281-E787 IonicContact NZ-OE2 2.65Å; K281-E787 PolarHBondContact NZ-OE2 3.08Å
788	L	45.7	Very low	48.9	Very low	94 Å²	94	107.3 Å²	107.3	49%	0.492	63%	0.625	S	S	.	*			trans	-147.6	170.1	-171.2	-88.1	175.4	0	0	0	114.7	K281	K281-L788 CarbonylContact C-O 3.11Å; K281-L788 VanDerWaalsContact C-O 3.23Å; K281-L788 WeakPolarHBondContact CA-O 2.91Å; K281-L788 WeakPolarHBondContact CG-O 3.12Å; K281-L788 CarbonylContact O-C 2.82Å
789	P	50.7	Low	49.3	Very low	77 Å²	77	102.1 Å²	102.1	50%	0.5	60%	0.602	S	S	.	*	B	Isolated β-bridge	trans	-116.6	-9.4	-167.3	43	-35.9	0	0	0	123.4	A279 A280 K281	A279-P789 CarbonylContact C-O 3.23Å; A280-P789 CarbonylContact C-O 3.41Å; A280-P789 VanDerWaalsContact C-O 3.25Å; A280-P789 WeakPolarHBondContact CA-O 3.41Å; A280-P789 PolarHBondContact N-O 2.66Å; K281-P789 CarbonylContact O-C 3.2Å; K281-P789 VanDerWaalsContact O-CA 3.23Å; K281-P789 WeakPolarHBondContact O-CA 3.03Å
790	M	49.8	Very low	48.7	Very low	123 Å²	123	102.2 Å²	102.2	61%	0.606	60%	0.599	S	S	*	*			trans	50.9	-137.4	175.3	-149.9	172.3	172.9	0	0	119.1	K281	K281-M790 VanDerWaalsContact N-CB 3.28Å; K281-M790 PolarHBondContact O-N 3.33Å
791	K	45.6	Very low	48.4	Very low	179 Å²	179	105.7 Å²	105.7	78%	0.778	61%	0.608	S	S	*	*			trans	-178.5	155.6	-176.1	-85.4	126.8	179.7	172.9	0	112.6
792	T	46.2	Very low	47.9	Very low	143 Å²	143	107.7 Å²	107.7	88%	0.877	63%	0.631	S	S	*	*			trans	-153.7	160.4	146.7	17	0	0	0	0	112.6
793	P	52	Low	47.2	Very low	117 Å²	117	109.6 Å²	109.6	76%	0.76	65%	0.652	S	S	*	*			trans	-109.3	173.8	-168.2	41.5	-34.3	0	0	0	116.3
794	P	62.8	Low	47	Very low	119 Å²	119	111.7 Å²	111.7	77%	0.773	66%	0.664	S	S	*	*			trans	-98.2	-178.6	-177.7	42	-38.1	0	0	0	113.8
795	P	55.3	Low	46.5	Very low	107 Å²	107	109.6 Å²	109.6	70%	0.695	66%	0.663	S	S	*	*				-156.9	-176.3	96.6	43.1	-23.9	0	0	0	117.8
796	D	44.9	Very low	46.6	Very low	138 Å²	138	109.4 Å²	109.4	74%	0.738	67%	0.666	S	S	*	*			trans	51.8	140.3	149.2	-63.3	-29.1	0	0	0	123.2
797	T	49.5	Very low	46.4	Very low	71 Å²	71	109.8 Å²	109.8	44%	0.436	66%	0.663	S	S	.	*			cis	-167.8	-150.9	-12.5	37.7	0	0	0	0	108.2	T1112 K1113	T797-T1112 WeakPolarHBondContact O-CA 3.36Å; T797-K1113 PolarHBondContact O-N 2.88Å
798	A	45.8	Very low	46.3	Very low	43 Å²	43	113.9 Å²	113.9	36%	0.355	68%	0.679	S	S	.	*			cis	-178.2	-179.4	12	0	0	0	0	0	115.6	K1111 T1112	A798-K1111 HydrophobicContact CB-CB 3.84Å; A798-K1111 HydrophobicContact CB-CD 3.4Å; A798-K1111 HydrophobicContact CB-CG 3.51Å; A798-T1112 HydrophobicContact CB-CG2 3.7Å; A798-T1112 WeakPolarHBondContact O-CG2 2.78Å
799	L	49.2	Very low	46.2	Very low	78 Å²	78	114.4 Å²	114.4	41%	0.408	69%	0.69	S	S	.	*			trans	24	153.9	136.4	-110.1	-178.4	0	0	0	122.5	K1111 T1112	L799-K1111 HydrophobicContact CB-CG 4.19Å; L799-K1111 HydrophobicContact CD1-CD 4.42Å; L799-K1111 HydrophobicContact CD1-CG 3.9Å; L799-K1111 VanDerWaalsContact CD1-NZ 3.26Å; L799-T1112 WeakPolarHBondContact O-CG2 3.09Å
800	T	44.2	Very low	45.9	Very low	106 Å²	106	120.1 Å²	120.1	65%	0.65	71%	0.708	S	S	*	*				-152.5	-117.3	-74.5	17	0	0	0	0	106.9
801	E	48.4	Very low	45.6	Very low	158 Å²	158	122.8 Å²	122.8	74%	0.738	72%	0.716	S	S	*	*			cis	-169.6	155.9	-5	-160.6	67.3	-82.1	0	0	110.2
802	G	37	Very low	45.4	Very low	70 Å²	70	122.5 Å²	122.5	72%	0.722	71%	0.714	S	S	*	*			trans	86.1	169.7	172.4	0	0	0	0	0	116.2
803	A	37.8	Very low	45.3	Very low	105 Å²	105	120.9 Å²	120.9	87%	0.868	71%	0.705	S	S	*	*			cis	-165.8	-170.1	-18.3	0	0	0	0	0	109.5
804	A	38.6	Very low	44.9	Very low	100 Å²	100	123.9 Å²	123.9	83%	0.826	71%	0.706	S	S	*	*			trans	83.3	-153.7	170.4	0	0	0	0	0	119.8
805	T	36.2	Very low	44	Very low	120 Å²	120	121.6 Å²	121.6	74%	0.736	68%	0.684	S	S	*	*			trans	-119.6	-172.7	-147.5	46.2	0	0	0	0	113.8
806	L	45.4	Very low	43.5	Very low	146 Å²	146	125 Å²	125	76%	0.764	69%	0.688	S	S	*	*			cis	-135.1	170.8	16.4	-70.7	163	0	0	0	110.5
807	S	43.1	Very low	43.5	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	70%	0.697	S	S	*	*			cis	99	141.7	9.8	-56.7	0	0	0	0	117.7
808	K	43.1	Very low	43.1	Very low	205 Å²	205	132.8 Å²	132.8	89%	0.891	71%	0.709	S	S	*	*			trans	70.4	146.2	176.7	-59.3	-179.1	-178.2	179.4	0	118.1
809	S	44.6	Very low	43.2	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	72%	0.72	S	S	*	*			cis	-175.5	134.4	-45.2	42.8	0	0	0	0	114.4
810	K	43.5	Very low	42.9	Very low	198 Å²	198	138.5 Å²	138.5	86%	0.861	74%	0.735	S	S	*	*			trans	-173.5	119.7	139.9	-99.7	159.2	-176.2	178.6	0	107.8
811	K	43.3	Very low	42.5	Very low	179 Å²	179	141.9 Å²	141.9	78%	0.778	74%	0.741	S	S	*	*				84.7	125.6	65.9	-167.7	179.6	-175.8	-177.1	0	110.2
812	K	43.5	Very low	42.1	Very low	172 Å²	172	140 Å²	140	75%	0.748	74%	0.74	S	S	*	*			cis	-160.6	132.7	-3.4	-115.9	-180	-179	-175.6	0	108.7
813	T	42.1	Very low	41.8	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	74%	0.74	S	S	*	*				80.9	172.6	93.9	62.4	0	0	0	0	120
814	K	44.3	Very low	41.7	Very low	179 Å²	179	140.8 Å²	140.8	78%	0.778	74%	0.74	S	S	*	*			trans	75.8	178.1	170.9	-85.3	-173.7	-179.5	-178.1	0	119.5
815	K	44.5	Very low	41.5	Very low	71 Å²	71	140.4 Å²	140.4	31%	0.309	74%	0.737	S	S	.	*			cis	-123.2	-112.9	11.4	-141.5	-164.6	-125.9	-173.4	0	118.3	E506 T507 A508	E506-K815 PolarHBondContact O-NZ 3.38Å; E506-K815 IonicContact OE1-NZ 2.82Å; E506-K815 PolarHBondContact OE1-NZ 2.99Å; E506-K815 IonicContact OE2-NZ 2.74Å; E506-K815 PolarHBondContact OE2-NZ 3.46Å; T507-K815 WeakPolarHBondContact O-CD 3Å; T507-K815 WeakPolarHBondContact O-CE 3.17Å; T507-K815 PolarHBondContact O-NZ 2.82Å; T507-K815 VanDerWaalsContact OG1-CE 3.32Å; T507-K815 WeakPolarHBondContact OG1-CE 3.42Å; T507-K815 PolarHBondContact OG1-NZ 2.76Å; A508-K815 HydrophobicContact CB-CB 3.91Å; A508-K815 HydrophobicContact CB-CD 3.95Å; A508-K815 HydrophobicContact CB-CG 4.12Å
816	K	44.5	Very low	41.7	Very low	179 Å²	179	139.7 Å²	139.7	78%	0.778	74%	0.743	S	S	*	*			trans	-80.5	-163.9	-154	-60.4	-175.7	176.5	178.2	0	119.5
817	K	44.2	Very low	41.5	Very low	217 Å²	217	137.8 Å²	137.8	94%	0.943	75%	0.748	S	S	*	*			trans	-60.5	-136.8	-147.5	-72.3	-175.1	170	177	0	123.1
818	K	42.2	Very low	41.4	Very low	156 Å²	156	136.5 Å²	136.5	68%	0.678	75%	0.749	S	S	*	*			trans	-147.6	179.7	-134.6	-159.3	-140.4	127.8	-164.3	0	114.9	E820	K818-E820 WeakPolarHBondContact CE-OE2 3.38Å; K818-E820 IonicContact NZ-OE2 2.92Å; K818-E820 PolarHBondContact NZ-OE2 2.75Å
819	S	47.7	Very low	41.3	Very low	84 Å²	84	135.2 Å²	135.2	59%	0.587	75%	0.747	S	S	*	*			trans	97.2	155.2	141.5	-41.2	0	0	0	0	121.8
820	E	42.4	Very low	41.2	Very low	156 Å²	156	137.2 Å²	137.2	73%	0.729	74%	0.744	S	S	*	*			cis	69.2	144.7	32.6	-85.1	161	138.9	0	0	114	K818	K818-E820 WeakPolarHBondContact CE-OE2 3.38Å; K818-E820 IonicContact NZ-OE2 2.92Å; K818-E820 PolarHBondContact NZ-OE2 2.75Å
821	K	36.1	Very low	40.9	Very low	178 Å²	178	133.1 Å²	133.1	77%	0.774	74%	0.736	S	S	*	*			cis	153	157.5	-8.7	-175.9	-143.1	170.9	-162.7	0	102.7
822	V	39.6	Very low	40.9	Very low	118 Å²	118	128 Å²	128	72%	0.715	73%	0.728	S	S	*	*			trans	77	124.3	-176.1	-163.6	0	0	0	0	109.2
823	A	32.2	Very low	40.9	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	73%	0.734	S	S	*	*			cis	88.3	152.9	33	0	0	0	0	0	113.6
824	A	34.6	Very low	40.9	Very low	104 Å²	104	129 Å²	129	86%	0.86	74%	0.735	S	S	*	*			trans	64.8	154.1	-163.9	0	0	0	0	0	114
825	A	35.1	Very low	40.5	Very low	92 Å²	92	126 Å²	126	76%	0.76	73%	0.732	S	S	*	*			cis	-165.3	172.6	-22.6	0	0	0	0	0	109.1
826	A	39.2	Very low	40	Very low	105 Å²	105	131.1 Å²	131.1	87%	0.868	75%	0.754	S	S	*	*			trans	61.7	155.2	172.8	0	0	0	0	0	116
827	A	42.3	Very low	39.6	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	75%	0.753	S	S	*	*			cis	-147.4	170.4	-24.2	0	0	0	0	0	105.8
828	G	40.9	Very low	38.9	Very low	66 Å²	66	126.8 Å²	126.8	68%	0.68	75%	0.746	S	S	*	*			cis	172.9	163.2	-1.4	0	0	0	0	0	107.7
829	Q	40.9	Very low	38.6	Very low	179 Å²	179	129 Å²	129	84%	0.836	76%	0.755	S	S	*	*			trans	62.2	149.2	176.6	-72.5	-174.8	-46.8	0	0	117.3
830	E	43	Very low	37.9	Very low	145 Å²	145	132.8 Å²	132.8	68%	0.678	76%	0.761	S	S	*	*			cis	-149.5	-174.9	-26.7	-131.2	-179.1	139.9	0	0	113.5
831	T	37.4	Very low	37.5	Very low	113 Å²	113	132.1 Å²	132.1	69%	0.693	77%	0.769	S	S	*	*			trans	-17.8	152.5	166.7	48.3	0	0	0	0	120.1
832	A	41.7	Very low	37.5	Very low	72 Å²	72	129.5 Å²	129.5	60%	0.595	76%	0.757	S	S	*	*			cis	-170.9	166.6	-8	0	0	0	0	0	112.6
833	K	44.4	Very low	37.4	Very low	205 Å²	205	130.5 Å²	130.5	89%	0.891	75%	0.752	S	S	*	*			trans	41	133.4	140.9	-64.9	163.6	-169.9	172.8	0	119.5
834	S	40.7	Very low	37.8	Very low	98 Å²	98	135 Å²	135	69%	0.685	76%	0.755	S	S	*	*			cis	-165.4	172.1	-2.5	76.3	0	0	0	0	112.9
835	T	36.9	Very low	38	Very low	115 Å²	115	138 Å²	138	71%	0.706	75%	0.749	S	S	*	*			trans	13.2	149.8	150	70	0	0	0	0	121.4
836	K	34.3	Very low	38.1	Very low	179 Å²	179	142 Å²	142	78%	0.778	75%	0.749	S	S	*	*				-169.2	128.1	51.6	-146.7	161.3	-176	173.1	0	115
837	K	35.1	Very low	38	Very low	173 Å²	173	142.2 Å²	142.2	75%	0.752	74%	0.744	S	S	*	*			trans	44.5	115.1	145.2	-63.5	-175.7	178.6	-178	0	123
838	T	30.2	Very low	37.9	Very low	131 Å²	131	146.4 Å²	146.4	80%	0.804	74%	0.742	S	S	*	*			trans	70.7	165.7	134.5	68.2	0	0	0	0	118.5
839	K	35	Very low	37.7	Very low	202 Å²	202	151.7 Å²	151.7	88%	0.878	75%	0.747	S	S	*	*			cis	-152.1	175.5	21.6	-158.8	171.2	179.5	179.1	0	113.2
840	K	34.6	Very low	37.7	Very low	164 Å²	164	148.2 Å²	148.2	71%	0.713	74%	0.742	S	S	*	*			trans	-62.4	154.9	178.7	-57.7	170.7	-179.1	173.9	0	113.9
841	T	33.2	Very low	37.6	Very low	143 Å²	143	149.7 Å²	149.7	88%	0.877	75%	0.746	S	S	*	*			trans	-162.2	143.3	153.8	-82.5	0	0	0	0	109.9
842	K	36.5	Very low	37.7	Very low	122 Å²	122	151 Å²	151	53%	0.53	75%	0.748	S	S	.	*			trans	-155.6	153.5	-168.4	-64	-177.7	178.5	171.9	0	115.4	E1055	K842-E1055 VanDerWaalsContact CD-CD 3.45Å; K842-E1055 HydrophobicContact CD-CG 3.87Å; K842-E1055 IonicContact NZ-OE1 2.69Å; K842-E1055 PolarHBondContact NZ-OE1 3.45Å; K842-E1055 IonicContact NZ-OE2 2.68Å; K842-E1055 PolarHBondContact NZ-OE2 3.27Å
843	K	37.2	Very low	37.4	Very low	139 Å²	139	150.8 Å²	150.8	60%	0.604	75%	0.745	S	S	*	*			trans	70.5	140.3	172.1	-82.2	-176.3	174.5	159.3	0	116.9	E1055	K843-E1055 WeakPolarHBondContact CD-O 3.45Å; K843-E1055 WeakPolarHBondContact CE-O 3.35Å; K843-E1055 PolarHBondContact NZ-O 3.06Å
844	K	40	Very low	36.9	Very low	184 Å²	184	150 Å²	150	80%	0.8	75%	0.745	S	S	*	*				69.3	131	61.7	-125.4	-173	-173.9	167.9	0	111
845	K	38.5	Very low	36.8	Very low	167 Å²	167	149.3 Å²	149.3	73%	0.726	75%	0.745	S	S	*	*			cis	-177.2	132.5	34.4	-177.3	-150.2	178.4	-170.3	0	113.8
846	K	37.7	Very low	37.1	Very low	176 Å²	176	148.5 Å²	148.5	77%	0.765	75%	0.75	S	S	*	*			trans	69	140.6	152.1	-99.2	-161.9	174.6	-163.1	0	121.2
847	S	36.8	Very low	37.7	Very low	108 Å²	108	146 Å²	146	76%	0.755	75%	0.752	S	S	*	*			trans	64.3	150.9	156.2	29	0	0	0	0	116.6
848	K	39.7	Very low	37.9	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	76%	0.755	S	S	*	*			cis	-143.5	136.2	5.1	-124.8	178.2	177.5	-176.3	0	105.9
849	K	37.2	Very low	38.6	Very low	178 Å²	178	140.2 Å²	140.2	77%	0.774	75%	0.75	S	S	*	*				69.6	132.3	99.7	175	65.7	179.1	176.7	0	113.8
850	S	40.4	Very low	38.9	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	75%	0.753	S	S	*	*			trans	69.4	153.7	172.5	19	0	0	0	0	116.7
851	K	41	Very low	39.1	Very low	176 Å²	176	136 Å²	136	77%	0.765	76%	0.757	S	S	*	*			cis	-178.2	149.7	-29.5	-157.1	-161.8	167.2	-157.2	0	106.5
852	I	39.7	Very low	39.4	Very low	142 Å²	142	134.3 Å²	134.3	73%	0.728	76%	0.757	S	S	*	*			trans	66.9	160.4	169.6	-58.4	154.8	0	0	0	112.5
853	A	37.1	Very low	39.7	Very low	66 Å²	66	132.9 Å²	132.9	55%	0.545	77%	0.767	S	S	.	*				-160.8	171.2	-51.7	0	0	0	0	0	107.6
854	E	33.1	Very low	41.1	Very low	189 Å²	189	132 Å²	132	88%	0.883	78%	0.776	S	S	*	*			trans	61.7	162	162.7	-71.9	158	86.3	0	0	118.1
855	A	37.8	Very low	41.9	Very low	83 Å²	83	129.3 Å²	129.3	69%	0.686	78%	0.777	S	S	*	*			cis	-159.6	157.8	-29.1	0	0	0	0	0	110.5
856	A	44.5	Very low	42.2	Very low	98 Å²	98	126 Å²	126	81%	0.81	78%	0.782	S	S	*	*			trans	61.7	174.6	155.4	0	0	0	0	0	118.2
857	P	46	Very low	42.5	Very low	128 Å²	128	127.2 Å²	127.2	83%	0.831	79%	0.79	S	S	*	*			cis	-124	-174.6	-6.5	42.2	-27.6	0	0	0	115.7
858	A	40.3	Very low	42.6	Very low	98 Å²	98	126 Å²	126	81%	0.81	79%	0.794	S	S	*	*			trans	-52.3	167.2	-176.6	0	0	0	0	0	119.4
859	A	45.1	Very low	42.8	Very low	83 Å²	83	121.4 Å²	121.4	69%	0.686	79%	0.792	S	S	*	*				-174.8	145.8	115.5	0	0	0	0	0	113.6
860	E	39.8	Very low	43.6	Very low	202 Å²	202	118.9 Å²	118.9	94%	0.944	79%	0.794	S	S	*	*			trans	64	145.2	155.4	-67.4	173.7	110.1	0	0	122.4
861	G	39.4	Very low	43.7	Very low	77 Å²	77	118.4 Å²	118.4	79%	0.794	80%	0.796	S	S	*	*			trans	-176.3	166.6	174.3	0	0	0	0	0	112
862	A	40.3	Very low	44	Very low	106 Å²	106	114.5 Å²	114.5	88%	0.876	80%	0.797	S	S	*	*			trans	-177.6	164.8	173.7	0	0	0	0	0	108.4
863	A	41.6	Very low	44.8	Very low	92 Å²	92	111.9 Å²	111.9	76%	0.76	79%	0.79	S	S	*	*			cis	-170.3	145.2	-33.2	0	0	0	0	0	106.2
864	P	66.1	Low	45.5	Very low	122 Å²	122	112.4 Å²	112.4	79%	0.792	79%	0.787	S	S	*	*			trans	-107.3	167.9	-165.7	40.1	-36.7	0	0	0	117.1
865	P	58.3	Low	46.2	Very low	126 Å²	126	108.1 Å²	108.1	82%	0.818	78%	0.784	S	S	*	*			trans	-116.8	-171.8	134	42.2	-33.2	0	0	0	110
866	A	45.3	Very low	46.6	Very low	99 Å²	99	110.8 Å²	110.8	82%	0.818	78%	0.782	S	S	*	*			cis	-156.3	-172	15	0	0	0	0	0	111.7
867	E	43.1	Very low	46.3	Very low	200 Å²	200	107.1 Å²	107.1	94%	0.935	76%	0.755	S	S	*	*			trans	-89.6	172.5	-174.8	-59	164.4	84.9	0	0	116.4
868	G	39.8	Very low	46.1	Very low	82 Å²	82	105.6 Å²	105.6	85%	0.845	75%	0.752	S	S	*	*			trans	136.5	107	147.3	0	0	0	0	0	118.2
869	A	43.8	Very low	46.4	Very low	97 Å²	97	106.9 Å²	106.9	80%	0.802	75%	0.753	S	S	*	*			trans	-143	-168.3	173.6	0	0	0	0	0	109.7
870	P	53.4	Low	46.1	Very low	126 Å²	126	107.5 Å²	107.5	82%	0.818	76%	0.758	S	S	*	*			cis	-137	-153.4	-8.3	40.8	-19.5	0	0	0	114.1
871	A	43.2	Very low	46.4	Very low	94 Å²	94	107.5 Å²	107.5	78%	0.777	76%	0.758	S	S	*	*			trans	110.4	106.5	146.2	0	0	0	0	0	123.1
872	A	45.6	Very low	46.5	Very low	95 Å²	95	107.4 Å²	107.4	79%	0.785	76%	0.757	S	S	*	*			trans	74.3	146.7	132.8	0	0	0	0	0	125.1
873	P	58.2	Low	46.6	Very low	87 Å²	87	107.3 Å²	107.3	57%	0.565	76%	0.756	S	S	*	*			trans	-130.2	-141	179.3	46.8	-28.7	0	0	0	111.9
874	P	50.9	Low	46.6	Very low	76 Å²	76	107.3 Å²	107.3	49%	0.494	76%	0.756	S	S	.	*			cis	-126.1	176.3	-34.9	40.6	-26	0	0	0	114.4	A555	A555-P874 HydrophobicContact CB-CG 4.36Å
875	A	47.9	Very low	45.8	Very low	100 Å²	100	107.8 Å²	107.8	83%	0.826	76%	0.759	S	S	*	*			trans	-161.5	168.3	160.1	0	0	0	0	0	114.7
876	E	45.5	Very low	45	Very low	138 Å²	138	106.6 Å²	106.6	65%	0.645	76%	0.76	S	S	*	*			trans	-80.8	176	-161.7	-58.3	-157	80.5	0	0	118.7	K1183 K1185	E876-K1183 WeakPolarHBondContact O-CE 3.29Å; E876-K1183 PolarHBondContact O-NZ 3.28Å; E876-K1185 IonicContact OE1-NZ 2.75Å; E876-K1185 PolarHBondContact OE1-NZ 3.2Å
877	G	38.5	Very low	45	Very low	22 Å²	22	110.7 Å²	110.7	23%	0.227	76%	0.762	C	S	.	*				123.8	144	77.9	0	0	0	0	0	111	K1183	G877-K1183 WeakPolarHBondContact O-CD 3.24Å; G877-K1183 WeakPolarHBondContact O-CE 3.22Å; G877-K1183 PolarHBondContact O-NZ 3.3Å
878	A	42	Very low	45.2	Very low	95 Å²	95	106.3 Å²	106.3	79%	0.785	75%	0.751	S	S	*	*			trans	-118.5	-133.2	-154.8	0	0	0	0	0	119.1
879	P	46.7	Very low	45.6	Very low	126 Å²	126	108.6 Å²	108.6	82%	0.818	75%	0.751	S	S	*	*			trans	-136.6	175.8	-132.8	41.9	-21.4	0	0	0	118.3
880	A	39.5	Very low	45.7	Very low	96 Å²	96	114.1 Å²	114.1	79%	0.793	76%	0.757	S	S	*	*			trans	-179.5	175.8	151.1	0	0	0	0	0	114.2
881	E	46.3	Very low	45.1	Very low	202 Å²	202	117.7 Å²	117.7	94%	0.944	76%	0.763	S	S	*	*			trans	65.3	153.8	168.1	-60.3	-160.2	103.8	0	0	119.9
882	G	40.1	Very low	44.9	Very low	74 Å²	74	116.5 Å²	116.5	76%	0.763	76%	0.759	S	S	*	*			cis	-168.7	-169.8	2.6	0	0	0	0	0	113.2
883	A	43.1	Very low	44.7	Very low	105 Å²	105	116.9 Å²	116.9	87%	0.868	76%	0.762	S	S	*	*			trans	-138	-170.9	-170.9	0	0	0	0	0	112.7
884	A	41.3	Very low	44	Very low	92 Å²	92	120.2 Å²	120.2	76%	0.76	77%	0.77	S	S	*	*			cis	-155.8	172	7.7	0	0	0	0	0	112.1
885	P	50	Low	43.4	Very low	131 Å²	131	121.9 Å²	121.9	85%	0.851	78%	0.779	S	S	*	*			trans	-111.5	170.5	-177.7	40.9	-33.2	0	0	0	116.5
886	A	40.1	Very low	43.2	Very low	101 Å²	101	121.6 Å²	121.6	84%	0.835	78%	0.777	S	S	*	*			trans	-142.7	-177.7	175.4	0	0	0	0	0	113.7
887	E	46.1	Very low	43	Very low	186 Å²	186	119.9 Å²	119.9	87%	0.869	79%	0.786	S	S	*	*			trans	-104.1	-136.8	-152.3	-61.4	-168.4	117.2	0	0	118.9
888	P	48.2	Very low	43	Very low	107 Å²	107	123.7 Å²	123.7	70%	0.695	82%	0.815	S	S	*	*				-131	174.5	-105.8	40.7	-22.4	0	0	0	117.8
889	P	48.1	Very low	43.1	Very low	130 Å²	130	129 Å²	129	84%	0.844	82%	0.821	S	S	*	*			trans	-104.5	166.7	175.5	38.9	-33.3	0	0	0	116
890	K	44.9	Very low	43.3	Very low	214 Å²	214	126.6 Å²	126.6	93%	0.93	81%	0.805	S	S	*	*			trans	-108.5	178.2	-175.7	-71.5	-179.5	178.3	174.5	0	114.8
891	E	40.7	Very low	43.5	Very low	201 Å²	201	127.2 Å²	127.2	94%	0.939	80%	0.804	S	S	*	*			trans	-91.9	168.3	-169.6	-51.7	179.6	113	0	0	115.9
892	G	39.7	Very low	43.3	Very low	69 Å²	69	125 Å²	125	71%	0.711	79%	0.791	S	S	*	*			trans	160.6	150.4	160.1	0	0	0	0	0	116.4
893	A	41.3	Very low	43.4	Very low	102 Å²	102	127.9 Å²	127.9	84%	0.843	78%	0.783	S	S	*	*			trans	65.9	155.3	165.7	0	0	0	0	0	118.2
894	E	42.3	Very low	43.6	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	78%	0.776	S	S	*	*			cis	-150.7	-162.8	-19.8	-129.3	-49.8	94.1	0	0	111.4
895	T	38.3	Very low	43.8	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	78%	0.777	S	S	*	*			trans	-138.2	-160.5	-161	74.5	0	0	0	0	114.7
896	A	44.4	Very low	43.7	Very low	94 Å²	94	135.3 Å²	135.3	78%	0.777	78%	0.775	S	S	*	*			trans	64.2	134.5	178.7	0	0	0	0	0	118.2
897	A	40.2	Very low	44	Very low	102 Å²	102	140.3 Å²	140.3	84%	0.843	78%	0.778	S	S	*	*			cis	-158.9	158	-16.2	0	0	0	0	0	110.4
898	A	40.4	Very low	44	Very low	101 Å²	101	140.8 Å²	140.8	84%	0.835	78%	0.777	S	S	*	*			trans	-149.4	134.2	-178.3	0	0	0	0	0	116
899	K	42.9	Very low	43.8	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	79%	0.786	S	S	*	*			trans	-159.1	167.5	179.7	-95.3	158.4	-171.7	171.6	0	110
900	P	52	Low	43.4	Very low	77 Å²	77	147.8 Å²	147.8	50%	0.5	78%	0.783	S	S	.	*			cis	-145.5	136	-25.3	34.1	-13.1	0	0	0	117.7	K902	P900-K902 WeakPolarHBondContact O-CE 3.07Å; P900-K902 PolarHBondContact O-NZ 2.66Å
901	S	43.9	Very low	43.3	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	78%	0.778	S	S	*	*				50.7	-156.2	127.7	86.5	0	0	0	0	123.3
902	K	41.4	Very low	43.3	Very low	156 Å²	156	141.9 Å²	141.9	68%	0.678	77%	0.767	S	S	*	*			trans	78.2	148.4	-176.8	-46.3	126.5	-166.3	157.7	0	116.2	P900	P900-K902 WeakPolarHBondContact O-CE 3.07Å; P900-K902 PolarHBondContact O-NZ 2.66Å
903	K	42.9	Very low	43.6	Very low	135 Å²	135	148 Å²	148	59%	0.587	77%	0.774	S	S	*	*			cis	-155.7	44.3	-26.2	-116	172.9	175.4	176.6	0	112.7	K905 A1129 P1130	K903-K905 PolarHBondContact O-NZ 3.01Å; K903-A1129 PolarHBondContact NZ-O 3.16Å; K903-P1130 PolarHBondContact NZ-O 3.21Å
904	T	46.2	Very low	43.8	Very low	119 Å²	119	153 Å²	153	73%	0.73	78%	0.776	S	S	*	*			trans	76	179.9	169.6	68.9	0	0	0	0	119.6
905	K	45	Very low	43.7	Very low	177 Å²	177	150.8 Å²	150.8	77%	0.77	78%	0.779	S	S	*	*			cis	-157.1	174.4	37.2	-70.8	86.9	-175.3	161.3	0	112.4	K903	K903-K905 PolarHBondContact O-NZ 3.01Å
906	K	48	Very low	44	Very low	188 Å²	188	154.7 Å²	154.7	82%	0.817	79%	0.786	S	S	*	*			cis	-170.8	67.5	-45.2	-149.6	165.1	-174.4	174.7	0	116.6
907	K	47.6	Very low	43.8	Very low	205 Å²	205	155.6 Å²	155.6	89%	0.891	78%	0.782	S	S	*	*			trans	81.1	157.7	159.1	-73.7	177.2	176.3	168.9	0	123.3
908	K	46.6	Very low	43.9	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	78%	0.781	S	S	*	*			cis	-142.5	-86.9	-29.4	-156.2	162.8	-174.4	175.4	0	114.3
909	K	42.7	Very low	43.6	Very low	201 Å²	201	159.3 Å²	159.3	87%	0.874	78%	0.782	S	S	*	*			cis	-169.8	131.6	-11.9	-166	174.8	-176.4	178.5	0	111.5
910	K	39.6	Very low	43.4	Very low	183 Å²	183	153.9 Å²	153.9	80%	0.796	78%	0.776	S	S	*	*			trans	87.6	107.5	159.8	-153.4	172.3	-170.4	175.5	0	124
911	K	43.2	Very low	43	Very low	191 Å²	191	154.8 Å²	154.8	83%	0.83	79%	0.79	S	S	*	*			trans	67.6	146.7	155.4	-74	-175.6	-179.4	-172.1	0	118.2
912	S	40.9	Very low	43.1	Very low	100 Å²	100	155.6 Å²	155.6	70%	0.699	79%	0.792	S	S	*	*			cis	-165.9	172.1	-1.8	49.4	0	0	0	0	113.9
913	K	45.1	Very low	42.9	Very low	197 Å²	197	151.9 Å²	151.9	86%	0.857	79%	0.791	S	S	*	*			trans	76.2	110.5	158.8	-73.3	179.7	176.5	176.2	0	121.6
914	K	46.2	Very low	42.8	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.896	80%	0.796	S	S	*	*				75.1	87.5	115.1	-161.8	171.9	-177.3	172.2	0	121.1
915	S	40.8	Very low	42.4	Very low	112 Å²	112	149.6 Å²	149.6	78%	0.783	79%	0.788	S	S	*	*			trans	-151.7	136.4	146.3	46.3	0	0	0	0	107.2
916	K	43.2	Very low	42.1	Very low	193 Å²	193	142.6 Å²	142.6	84%	0.839	77%	0.767	S	S	*	*			cis	83.6	138.6	42.6	-170	180	178.5	-179.7	0	112.2
917	V	42	Very low	41.8	Very low	114 Å²	114	136 Å²	136	69%	0.691	75%	0.747	S	S	*	*			trans	79	125.2	-172.4	-168.3	0	0	0	0	111.1
918	A	40.4	Very low	41.4	Very low	100 Å²	100	130.6 Å²	130.6	83%	0.826	74%	0.741	S	S	*	*			cis	85	71.4	7.3	0	0	0	0	0	118.1
919	E	34.9	Very low	42	Very low	180 Å²	180	126.8 Å²	126.8	84%	0.841	74%	0.736	S	S	*	*			trans	-106.5	133.9	156.3	-127.5	144.8	128.2	0	0	106.1
920	A	38.1	Very low	42.4	Very low	93 Å²	93	122.8 Å²	122.8	77%	0.769	73%	0.73	S	S	*	*			cis	72.4	139.3	48.6	0	0	0	0	0	112.4
921	A	44.7	Very low	42.5	Very low	96 Å²	96	117.9 Å²	117.9	79%	0.793	72%	0.724	S	S	*	*			cis	-143.2	174.4	8.6	0	0	0	0	0	112.6
922	P	46.5	Very low	42.3	Very low	125 Å²	125	117.9 Å²	117.9	81%	0.812	73%	0.727	S	S	*	*			trans	-124.3	169.7	-166.9	42.6	-31.2	0	0	0	117.1
923	A	36.6	Very low	42.2	Very low	78 Å²	78	116.7 Å²	116.7	65%	0.645	73%	0.731	S	S	*	*				121.7	100.4	124.3	0	0	0	0	0	121
924	A	39.6	Very low	42.1	Very low	85 Å²	85	112.1 Å²	112.1	70%	0.702	73%	0.73	S	S	*	*			trans	-142.3	155.1	150.6	0	0	0	0	0	107.6
925	E	39.2	Very low	42.5	Very low	120 Å²	120	107.9 Å²	107.9	56%	0.561	72%	0.723	S	S	*	*			cis	-126.8	-141.2	-11.2	-151.7	41.4	-101.6	0	0	112.2	K223	K223-E925 WeakPolarHBondContact CD-O 3.07Å; K223-E925 WeakPolarHBondContact CE-O 3.36Å; K223-E925 WeakPolarHBondContact CG-O 3.04Å; K223-E925 VanDerWaalsContact NZ-CA 3.27Å; K223-E925 PolarHBondContact NZ-O 2.84Å; K223-E925 IonicContact NZ-OE1 2.68Å; K223-E925 PolarHBondContact NZ-OE1 2.77Å; K223-E925 IonicContact NZ-OE2 2.7Å; K223-E925 PolarHBondContact NZ-OE2 3.19Å
926	G	38.3	Very low	42.3	Very low	31 Å²	31	107.3 Å²	107.3	32%	0.32	73%	0.725	S	S	.	*	B	Isolated β-bridge	trans	-144.9	156.6	179.9	0	0	0	0	0	114.1	K225 K226	K225-G926 CarbonylContact C-O 3.58Å; K226-G926 PolarHBondContact N-O 3.44Å
927	A	41.2	Very low	42.3	Very low	49 Å²	49	102.4 Å²	102.4	41%	0.405	72%	0.721	S	S	.	*			trans	-175.4	144.4	161.8	0	0	0	0	0	109.9	S224 K225 K226	S224-A927 CarbonylContact C-O 3.6Å; S224-A927 CarbonylContact O-C 3.35Å; S224-A927 PolarHBondContact O-N 3Å; K225-A927 PolarHBondContact N-O 3.09Å; K226-A927 VanDerWaalsContact CA-CB 3.47Å; K226-A927 HydrophobicContact CB-CB 3.73Å
928	A	39.3	Very low	43.4	Very low	92 Å²	92	102.6 Å²	102.6	76%	0.76	72%	0.724	S	S	*	*			trans	-86.3	-178.3	-175.6	0	0	0	0	0	112
929	P	59.6	Low	44.1	Very low	117 Å²	117	103.1 Å²	103.1	76%	0.76	72%	0.719	S	S	*	*			trans	-82.2	-175.9	-176.3	39.1	-36.3	0	0	0	111.7
930	P	51.2	Low	44.6	Very low	116 Å²	116	98.7 Å²	98.7	75%	0.753	71%	0.713	S	S	*	*				-143.6	-172.8	98.8	41	-27.5	0	0	0	113.9
931	A	41	Very low	44.8	Very low	80 Å²	80	103.2 Å²	103.2	66%	0.661	72%	0.719	S	S	*	*			trans	65.5	156.8	145.4	0	0	0	0	0	119.6
932	E	39.2	Very low	44.6	Very low	191 Å²	191	102.1 Å²	102.1	89%	0.893	72%	0.717	S	S	*	*			cis	-163.4	-178.9	-21	-115.2	174.8	102.6	0	0	109
933	G	38.7	Very low	44.2	Very low	76 Å²	76	100.9 Å²	100.9	78%	0.784	72%	0.717	S	S	*	*			trans	106.5	123.1	153.4	0	0	0	0	0	117.2
934	A	44.1	Very low	44.4	Very low	100 Å²	100	100.5 Å²	100.5	83%	0.826	71%	0.714	S	S	*	*			trans	-97.9	-144.8	168.2	0	0	0	0	0	109.3
935	P	53.4	Low	44.9	Very low	117 Å²	117	102 Å²	102	76%	0.76	72%	0.717	S	S	*	*			cis	-136.4	177.8	13.6	44.3	-25.6	0	0	0	117.4
936	A	38	Very low	45	Very low	100 Å²	100	101.1 Å²	101.1	83%	0.826	73%	0.73	S	S	*	*			trans	63.3	153.6	142	0	0	0	0	0	123.9
937	A	42.5	Very low	45.1	Very low	90 Å²	90	108.4 Å²	108.4	74%	0.744	76%	0.756	S	S	*	*			trans	-109.3	-144.6	167.2	0	0	0	0	0	107.9
938	P	64.8	Low	45.7	Very low	119 Å²	119	111.2 Å²	111.2	77%	0.773	77%	0.77	S	S	*	*			cis	-125.8	-136.6	-12	42.3	-21.4	0	0	0	109.6
939	P	55.6	Low	46.1	Very low	110 Å²	110	111.4 Å²	111.4	71%	0.714	76%	0.763	S	S	*	*			cis	-130.5	176.8	-28.2	39.1	-22.1	0	0	0	115.6
940	A	45.5	Very low	45.2	Very low	87 Å²	87	114.8 Å²	114.8	72%	0.719	77%	0.766	S	S	*	*			trans	46.3	172.7	142.9	0	0	0	0	0	121.9
941	E	42.4	Very low	44.9	Very low	188 Å²	188	118.4 Å²	118.4	88%	0.879	77%	0.773	S	S	*	*			cis	-160.1	157.4	0.2	-148.4	166.4	145.5	0	0	112.5
942	G	39.5	Very low	44.8	Very low	74 Å²	74	117.8 Å²	117.8	76%	0.763	77%	0.774	S	S	*	*			trans	62.8	163.6	156.6	0	0	0	0	0	120.5
943	A	38.6	Very low	44.6	Very low	99 Å²	99	113 Å²	113	82%	0.818	77%	0.767	S	S	*	*			cis	-160.2	158.9	-22.5	0	0	0	0	0	109.9
944	A	40.8	Very low	44.6	Very low	70 Å²	70	117.7 Å²	117.7	58%	0.579	77%	0.769	S	S	*	*			trans	-100	-156.1	175.5	0	0	0	0	0	109.7
945	P	50.5	Low	44	Very low	116 Å²	116	118.5 Å²	118.5	75%	0.753	76%	0.763	S	S	*	*			cis	-137.1	-173.2	-9.3	43.3	-25.5	0	0	0	114.7
946	A	39.8	Very low	43.3	Very low	101 Å²	101	117.8 Å²	117.8	84%	0.835	77%	0.767	S	S	*	*				165.4	154.3	129.4	0	0	0	0	0	115.1
947	E	40.3	Very low	43.2	Very low	185 Å²	185	117.6 Å²	117.6	86%	0.864	77%	0.766	S	S	*	*			trans	-106.4	-171.1	172.6	-80.6	-163.1	129.9	0	0	110.6
948	P	54.3	Low	42.9	Very low	108 Å²	108	117.4 Å²	117.4	70%	0.701	76%	0.764	S	S	*	*			cis	-122.7	-123.5	-41.4	30.6	-8.1	0	0	0	108.2
949	P	48.2	Very low	41.3	Very low	96 Å²	96	120.9 Å²	120.9	62%	0.623	77%	0.767	S	S	*	*			cis	-130.4	158.9	-38.1	33.3	-14.6	0	0	0	117.1
950	K	40.6	Very low	40.9	Very low	188 Å²	188	121.5 Å²	121.5	82%	0.817	77%	0.771	S	S	*	*			trans	57.2	169.8	140.5	-61.7	168	-173	171.6	0	121.6
951	E	44.3	Very low	40.7	Very low	192 Å²	192	122.4 Å²	122.4	90%	0.897	77%	0.772	S	S	*	*			trans	64.6	156.5	165.2	-41.1	-160.2	171.2	0	0	117.3
952	G	39.6	Very low	40.5	Very low	66 Å²	66	121.6 Å²	121.6	68%	0.68	77%	0.765	S	S	*	*			cis	-123.5	147.5	-22.6	0	0	0	0	0	109.3
953	A	34.2	Very low	40.8	Very low	90 Å²	90	126 Å²	126	74%	0.744	76%	0.764	S	S	*	*				55	97.4	84.6	0	0	0	0	0	112
954	E	39	Very low	41.2	Very low	176 Å²	176	127 Å²	127	82%	0.822	76%	0.76	S	S	*	*				86	164.5	102.1	-77.8	-166.7	126.3	0	0	111.9
955	T	32.6	Very low	41.4	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	77%	0.772	S	S	*	*			cis	-148.8	161.6	-7.7	-2.2	0	0	0	0	109.9
956	A	37.6	Very low	41.1	Very low	102 Å²	102	137.1 Å²	137.1	84%	0.843	78%	0.779	S	S	*	*			trans	59.1	-174.3	161.1	0	0	0	0	0	115.5
957	A	35.6	Very low	41.5	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	78%	0.78	S	S	*	*			cis	-134.3	-158.9	-7.9	0	0	0	0	0	112.4
958	A	36.6	Very low	41.7	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	78%	0.782	S	S	*	*			trans	-52.3	142.4	177.5	0	0	0	0	0	112.7
959	K	32.7	Very low	41.1	Very low	193 Å²	193	147.4 Å²	147.4	84%	0.839	79%	0.791	S	S	*	*				45.9	136.1	74	-67.7	178.9	-169.1	160.9	0	112.5
960	P	45.2	Very low	40.9	Very low	123 Å²	123	152 Å²	152	80%	0.799	80%	0.801	S	S	*	*			cis	-146	164.5	46.5	39.2	-19.8	0	0	0	119.2
961	S	41.7	Very low	41	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	80%	0.798	S	S	*	*			trans	-31.6	145.2	161.1	-45.8	0	0	0	0	118.6
962	K	39.2	Very low	40.8	Very low	171 Å²	171	147.1 Å²	147.1	74%	0.743	79%	0.79	S	S	*	*				-145.1	123.9	128.1	-96.7	134.5	-177.2	-177.3	0	110.1	K65	K65-K962 PolarHBondContact NZ-O 3.44Å
963	K	45.4	Very low	40.9	Very low	168 Å²	168	153.8 Å²	153.8	73%	0.73	80%	0.8	S	S	*	*				66.4	161.2	100.7	-64.7	-173.8	-176.4	178.2	0	115	K65	K65-K963 PolarHBondContact NZ-O 3.42Å
964	T	46.7	Very low	41.2	Very low	120 Å²	120	159.2 Å²	159.2	74%	0.736	81%	0.807	S	S	*	*			cis	-111	-120.5	-0.8	41.3	0	0	0	0	113.4
965	K	44.4	Very low	41.2	Very low	191 Å²	191	156.3 Å²	156.3	83%	0.83	81%	0.806	S	S	*	*			cis	-161.3	48.3	1.1	-147.9	166.4	-174.5	176.8	0	117.4
966	K	46	Very low	41.6	Very low	207 Å²	207	160 Å²	160	90%	0.9	81%	0.812	S	S	*	*			trans	73.2	-175.9	162.2	-66.1	179.4	172.7	173.8	0	118.3
967	K	46.9	Very low	41.8	Very low	195 Å²	195	162.1 Å²	162.1	85%	0.848	80%	0.802	S	S	*	*			cis	-155.2	11	15.5	-151.7	176.5	177.6	-180	0	119.3
968	K	43.8	Very low	42.1	Very low	210 Å²	210	164.7 Å²	164.7	91%	0.913	80%	0.798	S	S	*	*			trans	-145.1	153.8	-172.8	-66	-179	-179.1	179.7	0	114.1
969	K	42.9	Very low	42.4	Very low	205 Å²	205	165.4 Å²	165.4	89%	0.891	79%	0.793	S	S	*	*			cis	-142.9	-83.4	-25.8	-162.1	165.5	-178.4	175.8	0	112.9
970	K	43.5	Very low	43	Very low	193 Å²	193	158.7 Å²	158.7	84%	0.839	77%	0.77	S	S	*	*			trans	171.4	-177.7	175.9	-99.1	161.3	-165.3	178.5	0	110.7
971	K	42.5	Very low	42.7	Very low	172 Å²	172	154.7 Å²	154.7	75%	0.748	75%	0.747	S	S	*	*			cis	-157.3	152.2	11.1	-132.1	160	179.6	-178.4	0	106.9
972	S	40.2	Very low	42.6	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	74%	0.736	S	S	*	*			cis	56.1	165.8	39.6	70.6	0	0	0	0	114.5
973	K	42.6	Very low	42.6	Very low	207 Å²	207	150.1 Å²	150.1	90%	0.9	73%	0.729	S	S	*	*			cis	-65.5	-159.1	-2.5	-51	-178.9	-180	179.2	0	112
974	K	40.5	Very low	42.4	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	73%	0.725	S	S	*	*			cis	-142.2	130.1	-10.5	173.7	-176.4	177.7	-179	0	105.9
975	S	37.9	Very low	42.7	Very low	115 Å²	115	146 Å²	146	80%	0.804	73%	0.728	S	S	*	*			trans	-170.3	135.8	-179	54.6	0	0	0	0	113.8
976	K	42	Very low	42.9	Very low	195 Å²	195	142.7 Å²	142.7	85%	0.848	73%	0.726	S	S	*	*			trans	-166.3	165.4	178.7	-85	-161.2	175.3	179.2	0	109.2
977	K	41.2	Very low	42.6	Very low	145 Å²	145	136.7 Å²	136.7	63%	0.63	72%	0.716	S	S	*	*			cis	-154.4	153	-28.1	-117.1	-160.2	163.1	-161.4	0	105.2
978	E	41.3	Very low	42.2	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	72%	0.719	S	S	*	*				42.5	134.6	84.8	-48	179	108.3	0	0	112.8
979	T	42.9	Very low	41.7	Very low	100 Å²	100	129.8 Å²	129.8	61%	0.613	71%	0.706	S	S	*	*			cis	-161.1	172.8	43.7	12.9	0	0	0	0	112
980	P	46.9	Very low	41.5	Very low	52 Å²	52	125 Å²	125	34%	0.338	71%	0.705	S	S	.	*			trans	-120.6	-151.8	-157.4	9.3	18.5	0	0	0	116.9	K359 K360 K361	K359-P980 WeakPolarHBondContact CB-O 3.36Å; K359-P980 WeakPolarHBondContact CD-O 3.33Å; K359-P980 WeakPolarHBondContact CG-O 3.46Å; K359-P980 WeakPolarHBondContact O-CD 3.13Å; K360-P980 VanDerWaalsContact N-CD 3.26Å; K361-P980 HydrophobicContact CB-CB 3.83Å; K361-P980 VanDerWaalsContact O-CB 3.25Å; K361-P980 WeakPolarHBondContact O-CB 3.32Å; K361-P980 WeakPolarHBondContact O-CG 3.39Å
981	A	38.5	Very low	41.4	Very low	40 Å²	40	120.5 Å²	120.5	33%	0.331	70%	0.704	S	S	.	*			trans	-127.3	-158.3	170.2	0	0	0	0	0	113.2	K360 K361	K360-A981 CarbonylContact C-O 3.49Å; K360-A981 WeakPolarHBondContact CB-O 3.42Å; K361-A981 WeakPolarHBondContact CA-O 3.46Å; K361-A981 WeakPolarHBondContact CB-O 3.41Å; K361-A981 VanDerWaalsContact CD-C 3.47Å; K361-A981 HydrophobicContact CD-CB 3.91Å; K361-A981 WeakPolarHBondContact CG-O 3.37Å; K361-A981 PolarHBondContact N-O 2.71Å
982	E	38.2	Very low	42.2	Very low	107 Å²	107	117.9 Å²	117.9	50%	0.5	71%	0.705	S	S	.	*			trans	-132.1	-124.9	-167.9	-166	149.7	24	0	0	119	K360 K361 K362	K360-E982 HydrophobicContact CB-CB 4.07Å; K360-E982 HydrophobicContact CB-CG 4.32Å; K360-E982 HydrophobicContact CG-CB 3.93Å; K360-E982 HydrophobicContact CG-CG 3.79Å; K360-E982 WeakPolarHBondContact CG-OE1 3.39Å; K360-E982 WeakPolarHBondContact CG-OE2 3.34Å; K360-E982 IonicContact NZ-OE1 2.77Å; K360-E982 PolarHBondContact NZ-OE1 2.75Å; K360-E982 IonicContact NZ-OE2 3.49Å; K360-E982 PolarHBondContact NZ-OE2 2.92Å; K361-E982 WeakPolarHBondContact CE-O 3.36Å; K361-E982 WeakPolarHBondContact CG-O 3.46Å; K362-E982 PolarHBondContact NZ-O 3.41Å
983	A	39.5	Very low	43	Very low	72 Å²	72	118.6 Å²	118.6	60%	0.595	71%	0.707	S	S	*	*			trans	-54.3	171.4	165.9	0	0	0	0	0	112.8
984	A	41.3	Very low	43	Very low	78 Å²	78	112.8 Å²	112.8	65%	0.645	70%	0.698	S	S	*	*			cis	72.1	130.3	-11.7	0	0	0	0	0	121.9
985	P	53.9	Low	43.1	Very low	124 Å²	124	112.7 Å²	112.7	81%	0.805	70%	0.7	S	S	*	*			cis	-119.8	-157.7	-28.5	42.8	-25.9	0	0	0	109.2
986	P	48.3	Very low	43.2	Very low	121 Å²	121	110.6 Å²	110.6	79%	0.786	70%	0.696	S	S	*	*			cis	-124.4	-140.3	-2.5	44.3	-25.5	0	0	0	112.7
987	A	39.5	Very low	43.2	Very low	82 Å²	82	106.5 Å²	106.5	68%	0.678	70%	0.699	S	S	*	*			trans	70.5	140.6	-174.6	0	0	0	0	0	113.8
988	E	38.4	Very low	43.3	Very low	196 Å²	196	104.1 Å²	104.1	92%	0.916	71%	0.706	S	S	*	*			cis	65.4	143.3	27.8	-144.7	163.2	-177.6	0	0	110.1
989	G	34.1	Very low	43.4	Very low	63 Å²	63	101.9 Å²	101.9	65%	0.649	71%	0.714	S	S	*	*			cis	160.3	118.5	0	0	0	0	0	0	105.7
990	A	39.3	Very low	43.4	Very low	104 Å²	104	101.5 Å²	101.5	86%	0.86	72%	0.721	S	S	*	*			trans	67.8	141.4	-178.6	0	0	0	0	0	119.9
991	A	39.8	Very low	43.3	Very low	100 Å²	100	107.1 Å²	107.1	83%	0.826	75%	0.747	S	S	*	*			trans	73.9	147.8	147	0	0	0	0	0	123.3
992	P	59.3	Low	44.1	Very low	117 Å²	117	110.8 Å²	110.8	76%	0.76	77%	0.768	S	S	*	*			trans	-113.4	-159.5	176	47.8	-36.9	0	0	0	111.1
993	P	57	Low	44.4	Very low	118 Å²	118	110.1 Å²	110.1	77%	0.766	78%	0.78	S	S	*	*			cis	-135.2	-153.6	-3.6	43.8	-23.8	0	0	0	114.9
994	A	43.5	Very low	44.6	Very low	86 Å²	86	116.1 Å²	116.1	71%	0.711	80%	0.796	S	S	*	*			trans	92.5	130.1	159.4	0	0	0	0	0	121.7
995	E	42	Very low	44.6	Very low	201 Å²	201	116 Å²	116	94%	0.939	80%	0.802	S	S	*	*			trans	27.5	153.3	141.3	-51.6	-173.9	135.7	0	0	122.8
996	G	39.5	Very low	44	Very low	70 Å²	70	114.8 Å²	114.8	72%	0.722	80%	0.803	S	S	*	*			cis	171.7	161	-4.4	0	0	0	0	0	113
997	A	43.1	Very low	44.4	Very low	110 Å²	110	115.4 Å²	115.4	91%	0.909	81%	0.807	S	S	*	*			trans	60.4	162.6	167.9	0	0	0	0	0	120.1
998	A	43	Very low	44.5	Very low	94 Å²	94	116.3 Å²	116.3	78%	0.777	81%	0.814	S	S	*	*			cis	-164.8	159.1	-33.5	0	0	0	0	0	112.7
999	A	43.5	Very low	44.8	Very low	105 Å²	105	116 Å²	116	87%	0.868	81%	0.813	S	S	*	*			trans	58.9	165.2	160.4	0	0	0	0	0	120
1000	A	42.2	Very low	45.5	Very low	92 Å²	92	115.9 Å²	115.9	76%	0.76	81%	0.811	S	S	*	*			cis	-146.2	-173.2	0.6	0	0	0	0	0	113.1
1001	L	45.4	Very low	45.7	Very low	169 Å²	169	115.3 Å²	115.3	89%	0.885	81%	0.806	S	S	*	*			trans	-130.6	-155.1	178.3	-54.8	170.4	0	0	0	109.3
1002	P	55.3	Low	46.6	Very low	118 Å²	118	116.5 Å²	116.5	77%	0.766	81%	0.806	S	S	*	*			cis	-137.2	-167	-21.3	39.8	-19.3	0	0	0	115.4
1003	A	44.5	Very low	46	Very low	92 Å²	92	115.8 Å²	115.8	76%	0.76	81%	0.809	S	S	*	*			trans	68	165.8	151.1	0	0	0	0	0	120
1004	E	44.6	Very low	45.4	Very low	198 Å²	198	114.9 Å²	114.9	93%	0.925	81%	0.812	S	S	*	*			cis	-156	178.2	-7.6	-140.8	-169.7	136.5	0	0	112.7
1005	G	40.1	Very low	46.4	Very low	75 Å²	75	117 Å²	117	77%	0.773	82%	0.819	S	S	*	*			trans	116.8	132.6	151.1	0	0	0	0	0	121
1006	A	41.7	Very low	47.2	Very low	99 Å²	99	113.2 Å²	113.2	82%	0.818	81%	0.811	S	S	*	*			trans	-162.4	161.8	166.5	0	0	0	0	0	110.8
1007	P	56	Low	47.4	Very low	134 Å²	134	114.7 Å²	114.7	87%	0.87	82%	0.817	S	S	*	*				-154.8	-169.4	103.2	39.7	-19.5	0	0	0	115.5
1008	A	41.9	Very low	47.6	Very low	101 Å²	101	118.1 Å²	118.1	84%	0.835	81%	0.814	S	S	*	*			trans	-166.3	167.9	-179.7	0	0	0	0	0	115.5
1009	E	45.8	Very low	47.7	Very low	191 Å²	191	116.5 Å²	116.5	89%	0.893	81%	0.807	S	S	*	*			trans	-171.8	-172	146.8	-112	-61.5	85.3	0	0	108.9
1010	G	48.2	Very low	47.8	Very low	59 Å²	59	116.6 Å²	116.6	61%	0.608	81%	0.807	S	S	*	*			cis	-175.5	-150.3	-0.6	0	0	0	0	0	114.8
1011	A	43.4	Very low	47.7	Very low	92 Å²	92	116.8 Å²	116.8	76%	0.76	81%	0.809	S	S	*	*			trans	-153.9	171.3	-171.3	0	0	0	0	0	113.7
1012	P	58	Low	48.1	Very low	126 Å²	126	114.8 Å²	114.8	82%	0.818	81%	0.807	S	S	*	*				-160.9	-171.3	93	42.7	-21.5	0	0	0	119
1013	A	47.9	Very low	47.5	Very low	101 Å²	101	114.1 Å²	114.1	84%	0.835	81%	0.811	S	S	*	*			trans	85.7	140	148.7	0	0	0	0	0	124.3
1014	A	42.7	Very low	47.8	Very low	99 Å²	99	114.5 Å²	114.5	82%	0.818	80%	0.797	S	S	*	*			trans	-172.4	148.8	167.2	0	0	0	0	0	114.8
1015	P	65.1	Low	48.5	Very low	131 Å²	131	111 Å²	111	85%	0.851	79%	0.791	S	S	*	*			trans	-117.6	-103.7	-168.1	22.9	2.4	0	0	0	121.8
1016	P	60.1	Low	49.2	Very low	121 Å²	121	109.3 Å²	109.3	79%	0.786	77%	0.767	S	S	*	*			trans	-125.3	173.1	-131.7	39.5	-21.3	0	0	0	118.8
1017	A	43.1	Very low	49.5	Very low	102 Å²	102	110.9 Å²	110.9	84%	0.843	76%	0.755	S	S	*	*			trans	-175.4	178.9	-178.6	0	0	0	0	0	117.8
1018	E	47.1	Very low	48.9	Very low	181 Å²	181	109.3 Å²	109.3	85%	0.846	74%	0.736	S	S	*	*				-149.7	-119.9	124.3	-133	-62.8	122	0	0	111.9
1019	G	45.1	Very low	48.6	Very low	61 Å²	61	107.9 Å²	107.9	63%	0.629	73%	0.731	S	S	*	*			cis	-169.1	-163.8	0.6	0	0	0	0	0	108.5
1020	A	45	Very low	48.3	Very low	106 Å²	106	103.8 Å²	103.8	88%	0.876	73%	0.73	S	S	*	*			cis	-159.4	168.4	-13.8	0	0	0	0	0	108.5
1021	A	40.6	Very low	48.5	Very low	97 Å²	97	106.4 Å²	106.4	80%	0.802	74%	0.736	S	S	*	*			trans	-165	-165.7	-163.4	0	0	0	0	0	118.1
1022	P	54.8	Low	48.2	Very low	127 Å²	127	107.5 Å²	107.5	83%	0.825	74%	0.738	S	S	*	*				-144.4	-176.7	-76.2	45.3	-27.6	0	0	0	118.4
1023	A	42.4	Very low	47.3	Very low	104 Å²	104	105.9 Å²	105.9	86%	0.86	74%	0.736	S	S	*	*			trans	-147.1	162.4	168.2	0	0	0	0	0	117
1024	E	49.2	Very low	46.8	Very low	100 Å²	100	105.3 Å²	105.3	47%	0.467	73%	0.731	S	S	.	*			trans	-150.5	101.3	-169	-174.6	-117.3	129.2	0	0	121	K117 K118	K117-E1024 IonicContact NZ-OE1 2.66Å; K117-E1024 PolarHBondContact NZ-OE1 2.87Å; K118-E1024 WeakPolarHBondContact CE-OE1 3.04Å; K118-E1024 WeakPolarHBondContact CE-OE2 3.13Å; K118-E1024 IonicContact NZ-OE1 2.67Å; K118-E1024 PolarHBondContact NZ-OE1 3.31Å; K118-E1024 IonicContact NZ-OE2 2.64Å; K118-E1024 PolarHBondContact NZ-OE2 3.42Å
1025	P	60.1	Low	46.8	Very low	124 Å²	124	110.3 Å²	110.3	81%	0.805	74%	0.735	S	S	*	*			trans	-107.5	142.3	178	8.5	13.7	0	0	0	116.4
1026	P	55.3	Low	45.8	Very low	40 Å²	40	108.9 Å²	108.9	26%	0.26	73%	0.727	S	S	.	*			trans	-160.2	165.2	-179.7	46.1	-28	0	0	0	124.9	K116 K117	K116-P1026 HydrophobicContact CD-CG 4.39Å; K116-P1026 WeakPolarHBondContact CE-O 3.01Å; K117-P1026 HydrophobicContact CD-CB 3.54Å; K117-P1026 HydrophobicContact CD-CG 3.42Å; K117-P1026 VanDerWaalsContact CD-CG 3.42Å
1027	K	47.5	Very low	45.1	Very low	132 Å²	132	107.5 Å²	107.5	57%	0.574	72%	0.721	S	S	*	*			trans	60.3	145.3	133.7	-76.4	-140.9	-160	-175.3	0	128.3	K117	K117-K1027 HydrophobicContact CB-CB 4.06Å; K117-K1027 HydrophobicContact CB-CD 4.04Å; K117-K1027 HydrophobicContact CD-CB 4.12Å; K117-K1027 HydrophobicContact CD-CD 4.12Å; K117-K1027 HydrophobicContact CD-CG 4.04Å; K117-K1027 HydrophobicContact CG-CB 4.28Å; K117-K1027 HydrophobicContact CG-CD 3.74Å; K117-K1027 HydrophobicContact CG-CG 4.21Å
1028	E	43.4	Very low	45.1	Very low	100 Å²	100	110.9 Å²	110.9	47%	0.467	72%	0.716	S	S	.	*			trans	79.3	148.3	141	-85.5	169.6	-131.4	0	0	122.7	K117	K117-E1028 WeakPolarHBondContact CA-OE1 3.48Å; K117-E1028 VanDerWaalsContact N-CD 3.26Å; K117-E1028 PolarHBondContact N-OE1 3.47Å; K117-E1028 PolarHBondContact N-OE2 3.23Å
1029	G	36.9	Very low	44.9	Very low	71 Å²	71	110 Å²	110	73%	0.732	71%	0.71	S	S	*	*			cis	151.6	150.6	-14.9	0	0	0	0	0	119
1030	A	38.5	Very low	44.7	Very low	105 Å²	105	113 Å²	113	87%	0.868	72%	0.716	S	S	*	*			trans	81.3	169.7	149	0	0	0	0	0	122.8
1031	P	51.9	Low	44.4	Very low	114 Å²	114	116.6 Å²	116.6	74%	0.74	71%	0.712	S	S	*	*			trans	-143.7	-176	-137.6	47.1	-29.1	0	0	0	121.4
1032	S	38.1	Very low	44.4	Very low	115 Å²	115	121.6 Å²	121.6	80%	0.804	72%	0.716	S	S	*	*			trans	91.3	142	144.6	81.2	0	0	0	0	123.2
1033	A	38.3	Very low	43.7	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	72%	0.716	S	S	*	*				162.1	136.5	109.3	0	0	0	0	0	119.6
1034	A	38.1	Very low	43.5	Very low	89 Å²	89	129.6 Å²	129.6	74%	0.736	72%	0.718	S	S	*	*			trans	85.3	155.7	135	0	0	0	0	0	126.4
1035	K	41.5	Very low	43	Very low	204 Å²	204	134.7 Å²	134.7	89%	0.887	74%	0.738	S	S	*	*			trans	84.3	148.1	162.3	-57.8	163.7	-172.6	166.4	0	118.4
1036	S	44.3	Very low	41.8	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	74%	0.741	S	S	*	*			cis	-170.8	175.2	-25.2	73	0	0	0	0	113.3
1037	S	45.5	Very low	41	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	77%	0.769	S	S	*	*			trans	77.6	158.3	151.4	-64.7	0	0	0	0	119.8
1038	K	42.6	Very low	40.4	Very low	173 Å²	173	143.5 Å²	143.5	75%	0.752	77%	0.771	S	S	*	*			cis	-160.7	156.2	2	-124.1	161.8	-171.1	160.1	0	114.6
1039	K	43.7	Very low	40.1	Very low	164 Å²	164	147.9 Å²	147.9	71%	0.713	79%	0.788	S	S	*	*			trans	66	158.4	153.6	-73.1	171.5	179.2	-180	0	120.6	K1041	K1039-K1041 WeakPolarHBondContact O-CE 3.45Å; K1039-K1041 PolarHBondContact O-NZ 3.32Å
1040	T	42	Very low	40	Very low	124 Å²	124	153.4 Å²	153.4	76%	0.761	79%	0.792	S	S	*	*			cis	-95.2	-105.3	-4.7	-50	0	0	0	0	113.9
1041	K	38.1	Very low	40	Very low	180 Å²	180	152.3 Å²	152.3	78%	0.783	78%	0.784	S	S	*	*			cis	-146.3	171	4.7	-68.8	97.9	174.1	165.5	0	110.5	K1039	K1039-K1041 WeakPolarHBondContact O-CE 3.45Å; K1039-K1041 PolarHBondContact O-NZ 3.32Å
1042	K	41.4	Very low	39.4	Very low	203 Å²	203	156.2 Å²	156.2	88%	0.883	79%	0.789	S	S	*	*			trans	-154.3	155.8	-174.7	-94.7	176.7	176.3	166.3	0	112.3
1043	K	39.2	Very low	39.9	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	79%	0.79	S	S	*	*			cis	-166.4	146.1	-4.2	48.9	-174.6	178.2	178.8	0	107.3
1044	K	38	Very low	40.1	Very low	209 Å²	209	157.1 Å²	157.1	91%	0.909	79%	0.786	S	S	*	*			cis	105	55.6	12	-153.7	173.7	-176.9	178	0	117.8
1045	K	38.2	Very low	40.1	Very low	206 Å²	206	155.2 Å²	155.2	90%	0.896	76%	0.762	S	S	*	*			trans	-159.5	134.8	162.4	-88.2	-170.4	179.2	-177.8	0	109.1
1046	K	35.9	Very low	40	Very low	197 Å²	197	150.5 Å²	150.5	86%	0.857	75%	0.751	S	S	*	*			cis	77.7	142.4	11.9	-153.1	171.3	-175.8	177.1	0	116.9
1047	K	38.5	Very low	39.8	Very low	197 Å²	197	151.7 Å²	151.7	86%	0.857	75%	0.754	S	S	*	*			trans	76.1	148.6	-176.9	-72.2	-168.2	177.4	-174.5	0	116
1048	S	34.3	Very low	39.7	Very low	88 Å²	88	151.2 Å²	151.2	62%	0.615	76%	0.755	S	S	*	*			cis	161.7	-178.2	-28.2	54	0	0	0	0	108.3
1049	K	37.3	Very low	40.1	Very low	191 Å²	191	148.9 Å²	148.9	83%	0.83	76%	0.758	S	S	*	*			trans	78.4	153.6	171.4	-65.6	-172.9	175.9	-174	0	116
1050	K	35.3	Very low	39.8	Very low	187 Å²	187	144.4 Å²	144.4	81%	0.813	76%	0.758	S	S	*	*			cis	-171.7	167.7	-21.5	176	167.1	178.9	175.9	0	107.7
1051	A	38.2	Very low	39.6	Very low	83 Å²	83	148.1 Å²	148.1	69%	0.686	77%	0.766	S	S	*	*			trans	80.3	145	161.9	0	0	0	0	0	117.1
1052	K	39.4	Very low	39.5	Very low	196 Å²	196	143.2 Å²	143.2	85%	0.852	77%	0.767	S	S	*	*			cis	-155.8	140.7	-12.5	-121.7	-177.8	178.2	-168.6	0	109.8
1053	P	48.2	Very low	39.4	Very low	127 Å²	127	138.2 Å²	138.2	83%	0.825	76%	0.763	S	S	*	*			trans	-114.9	158.1	168	39.4	-30.6	0	0	0	113.4
1054	S	42.3	Very low	39.7	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	77%	0.765	S	S	*	*			trans	-172.6	170.4	159.7	78.5	0	0	0	0	108.2
1055	E	39.4	Very low	40.1	Very low	50 Å²	50	129.7 Å²	129.7	23%	0.234	76%	0.756	C	S	.	*			cis	-141.3	156.1	-18.7	75.4	-135.9	-132.8	0	0	106.6	K842 K843	K842-E1055 VanDerWaalsContact CD-CD 3.45Å; K842-E1055 HydrophobicContact CD-CG 3.87Å; K842-E1055 IonicContact NZ-OE1 2.69Å; K842-E1055 PolarHBondContact NZ-OE1 3.45Å; K842-E1055 IonicContact NZ-OE2 2.68Å; K842-E1055 PolarHBondContact NZ-OE2 3.27Å; K843-E1055 WeakPolarHBondContact CD-O 3.45Å; K843-E1055 WeakPolarHBondContact CE-O 3.35Å; K843-E1055 PolarHBondContact NZ-O 3.06Å
1056	T	39.2	Very low	40.5	Very low	104 Å²	104	125.5 Å²	125.5	64%	0.638	75%	0.751	S	S	*	*				74.7	146.9	59.1	-31.5	0	0	0	0	109.3
1057	V	39.2	Very low	40.7	Very low	126 Å²	126	120.4 Å²	120.4	76%	0.764	75%	0.745	S	S	*	*			cis	-111.7	173.3	13.9	-138.1	0	0	0	0	109.1
1058	A	43.9	Very low	40.9	Very low	81 Å²	81	119.4 Å²	119.4	67%	0.669	74%	0.743	S	S	*	*			cis	70.2	164.5	12.4	0	0	0	0	0	115.6
1059	P	49.6	Very low	41.1	Very low	125 Å²	125	119.9 Å²	119.9	81%	0.812	75%	0.746	S	S	*	*			cis	-106.1	-157.3	-3.8	44.3	-31.7	0	0	0	110.5
1060	G	38	Very low	41.2	Very low	69 Å²	69	114.6 Å²	114.6	71%	0.711	74%	0.738	S	S	*	*			cis	145.3	170.2	17.2	0	0	0	0	0	107.2
1061	E	37.9	Very low	41.6	Very low	202 Å²	202	113.4 Å²	113.4	94%	0.944	74%	0.74	S	S	*	*			cis	-165.7	163.1	-18.1	-170.2	161.2	154.8	0	0	107
1062	G	35.4	Very low	42	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	75%	0.747	S	S	*	*			trans	140.1	134.5	170	0	0	0	0	0	117
1063	A	40.3	Very low	42.2	Very low	98 Å²	98	110.3 Å²	110.3	81%	0.81	74%	0.741	S	S	*	*			trans	-140.9	172.4	168.2	0	0	0	0	0	108
1064	P	44.8	Very low	42.4	Very low	131 Å²	131	109.2 Å²	109.2	85%	0.851	73%	0.733	S	S	*	*				-149.8	-172.4	78.7	38.9	-18.8	0	0	0	115
1065	A	46.9	Very low	42.2	Very low	89 Å²	89	111 Å²	111	74%	0.736	74%	0.74	S	S	*	*			trans	-129.5	157.5	168.5	0	0	0	0	0	110.6
1066	P	45.9	Very low	42	Very low	119 Å²	119	112.4 Å²	112.4	77%	0.773	76%	0.76	S	S	*	*				-133.1	159.8	118	14.9	6.5	0	0	0	111.8
1067	A	39.7	Very low	41.9	Very low	89 Å²	89	116.5 Å²	116.5	74%	0.736	77%	0.772	S	S	*	*			cis	90	156.5	25.9	0	0	0	0	0	115.8
1068	E	42.9	Very low	42	Very low	177 Å²	177	113.5 Å²	113.5	83%	0.827	77%	0.766	S	S	*	*			trans	73.4	162.9	168.7	-60.4	-134.8	77.5	0	0	119
1069	S	39.2	Very low	41.7	Very low	97 Å²	97	114.3 Å²	114.3	68%	0.678	77%	0.773	S	S	*	*			cis	-169.6	178.8	-29.3	-86.4	0	0	0	0	107.3
1070	A	39.5	Very low	41.2	Very low	80 Å²	80	113.7 Å²	113.7	66%	0.661	77%	0.769	S	S	*	*			cis	-147.4	178.3	8.6	0	0	0	0	0	110.3
1071	L	42.9	Very low	41.3	Very low	163 Å²	163	116.5 Å²	116.5	85%	0.853	78%	0.778	S	S	*	*				40.9	137.6	96.3	-55.3	177.1	0	0	0	116.9
1072	P	48.2	Very low	41.1	Very low	127 Å²	127	111 Å²	111	83%	0.825	77%	0.767	S	S	*	*				-135.6	177.5	74	41.4	-28.4	0	0	0	117
1073	A	41.8	Very low	41.7	Very low	87 Å²	87	113.2 Å²	113.2	72%	0.719	77%	0.767	S	S	*	*			trans	-92.8	-160.7	170	0	0	0	0	0	109.8
1074	P	54.4	Low	41.9	Very low	104 Å²	104	114.1 Å²	114.1	68%	0.675	77%	0.765	S	S	*	*			cis	-140.5	-164.1	4.8	41.3	-19.2	0	0	0	115.6
1075	T	36.5	Very low	41.6	Very low	135 Å²	135	111.9 Å²	111.9	83%	0.828	76%	0.757	S	S	*	*			trans	63.9	151.4	156	44.9	0	0	0	0	118.8
1076	A	36.5	Very low	41.3	Very low	80 Å²	80	116.7 Å²	116.7	66%	0.661	77%	0.765	S	S	*	*			cis	-140.6	-159.4	2.3	0	0	0	0	0	112.2
1077	E	36.4	Very low	41	Very low	191 Å²	191	114.2 Å²	114.2	89%	0.893	76%	0.761	S	S	*	*			trans	-44.3	165	-176.3	-59.5	131.9	121.3	0	0	118
1078	G	40.3	Very low	41	Very low	62 Å²	62	115 Å²	115	64%	0.639	77%	0.768	S	S	*	*			cis	-157.7	159.2	-2.2	0	0	0	0	0	108.9
1079	A	38.1	Very low	40.6	Very low	98 Å²	98	111 Å²	111	81%	0.81	76%	0.764	S	S	*	*			cis	69.9	143.4	45.7	0	0	0	0	0	113.8
1080	P	38.9	Very low	40.7	Very low	113 Å²	113	112.4 Å²	112.4	73%	0.734	77%	0.771	S	S	*	*				-136.9	149.5	-50.8	36.9	-22.7	0	0	0	114.6
1081	S	40.8	Very low	40.4	Very low	127 Å²	127	112 Å²	112	89%	0.888	77%	0.768	S	S	*	*			trans	-163	79.5	155.5	-85.5	0	0	0	0	108.6
1082	A	33.3	Very low	39.9	Very low	88 Å²	88	108.4 Å²	108.4	73%	0.727	75%	0.747	S	S	*	*				73.4	121.4	62.5	0	0	0	0	0	112.6
1083	P	48.6	Very low	39.9	Very low	122 Å²	122	106.5 Å²	106.5	79%	0.792	74%	0.735	S	S	*	*			trans	-86.9	-176	175.4	39.4	-36.7	0	0	0	110.8
1084	P	44.7	Very low	40	Very low	118 Å²	118	107.8 Å²	107.8	77%	0.766	74%	0.735	S	S	*	*				-144.1	-179.1	99.9	40.5	-28.2	0	0	0	114.3
1085	A	37.2	Very low	39.3	Very low	83 Å²	83	112.1 Å²	112.1	69%	0.686	74%	0.744	S	S	*	*			trans	61.8	148.5	155.4	0	0	0	0	0	118.9
1086	E	40.8	Very low	39.4	Very low	191 Å²	191	114.5 Å²	114.5	89%	0.893	75%	0.746	S	S	*	*			cis	-152.1	151	-16.1	-114.6	178.1	109.5	0	0	105.7
1087	G	40	Very low	39.5	Very low	66 Å²	66	113.9 Å²	113.9	68%	0.68	75%	0.746	S	S	*	*				116.7	-178.7	66.4	0	0	0	0	0	109.4
1088	A	40.9	Very low	39.7	Very low	107 Å²	107	109.3 Å²	109.3	88%	0.884	74%	0.741	S	S	*	*			trans	52.4	90.9	166.9	0	0	0	0	0	119.9
1089	A	32.9	Very low	39.6	Very low	92 Å²	92	114.9 Å²	114.9	76%	0.76	75%	0.751	S	S	*	*			trans	-81	-158.3	136	0	0	0	0	0	108.8
1090	P	41.1	Very low	39.5	Very low	126 Å²	126	116.3 Å²	116.3	82%	0.818	75%	0.75	S	S	*	*			cis	-128.8	-123.8	-19.8	37.8	-16.7	0	0	0	111.6
1091	A	33.4	Very low	39.4	Very low	72 Å²	72	115.7 Å²	115.7	60%	0.595	75%	0.754	S	S	*	*			trans	57.4	168.6	166.3	0	0	0	0	0	120.1	K734	K734-A1091 PolarHBondContact NZ-O 2.92Å
1092	E	32.6	Very low	39.2	Very low	87 Å²	87	114.4 Å²	114.4	41%	0.407	75%	0.751	S	S	.	*			cis	103.9	151.1	-11.7	-51.1	-79.9	130.6	0	0	115.1	K734 K735 K736	K734-E1092 WeakPolarHBondContact CE-OE1 3Å; K734-E1092 IonicContact NZ-OE1 2.62Å; K734-E1092 PolarHBondContact NZ-OE1 2.82Å; K735-E1092 IonicContact NZ-OE1 2.71Å; K735-E1092 PolarHBondContact NZ-OE1 3.38Å; K735-E1092 VanDerWaalsContact NZ-OE1 3.11Å; K736-E1092 WeakPolarHBondContact CE-OE2 3Å; K736-E1092 IonicContact NZ-OE2 2.75Å; K736-E1092 PolarHBondContact NZ-OE2 2.91Å
1093	P	48	Very low	39.2	Very low	88 Å²	88	115.1 Å²	115.1	57%	0.571	76%	0.757	S	S	*	*			trans	-127.2	168.9	-140.2	44.3	-33.5	0	0	0	118.5
1094	P	44.1	Very low	38.7	Very low	113 Å²	113	113.6 Å²	113.6	73%	0.734	76%	0.755	S	S	*	*			trans	-111	172.8	134	-2.9	25.1	0	0	0	111.9
1095	K	40.5	Very low	38.2	Very low	195 Å²	195	112.9 Å²	112.9	85%	0.848	76%	0.759	S	S	*	*				60.3	150.5	53.1	-48.2	-173.4	175.8	-177.2	0	113.1
1096	E	39.3	Very low	38.2	Very low	186 Å²	186	113.8 Å²	113.8	87%	0.869	77%	0.766	S	S	*	*			cis	-128.4	-175.6	11.8	-68.1	169.1	140.3	0	0	110.3
1097	G	38.2	Very low	38	Very low	66 Å²	66	114.2 Å²	114.2	68%	0.68	77%	0.765	S	S	*	*			cis	-175.3	175.6	-0.8	0	0	0	0	0	110.4
1098	A	39.7	Very low	38.5	Very low	95 Å²	95	116.2 Å²	116.2	79%	0.785	77%	0.766	S	S	*	*			trans	60.2	148.3	172.4	0	0	0	0	0	117.9
1099	E	39.2	Very low	38.4	Very low	179 Å²	179	115.1 Å²	115.1	84%	0.836	75%	0.752	S	S	*	*			cis	-152.2	-176.8	-10.1	-124.4	170.6	148.8	0	0	113
1100	T	35	Very low	38.5	Very low	128 Å²	128	118.5 Å²	118.5	79%	0.785	75%	0.749	S	S	*	*			trans	-65.3	168.6	-170.8	46.9	0	0	0	0	116.2
1101	A	37.5	Very low	38.4	Very low	100 Å²	100	117 Å²	117	83%	0.826	73%	0.73	S	S	*	*			cis	-124.9	-109.7	6.8	0	0	0	0	0	113.6
1102	A	35.3	Very low	38.7	Very low	101 Å²	101	116.1 Å²	116.1	84%	0.835	72%	0.717	S	S	*	*			cis	-158.8	172.6	2.1	0	0	0	0	0	111.8
1103	A	35.1	Very low	39.1	Very low	102 Å²	102	119 Å²	119	84%	0.843	73%	0.728	S	S	*	*			trans	-104.1	177.2	179.5	0	0	0	0	0	112.2
1104	A	36.6	Very low	38.8	Very low	90 Å²	90	122.4 Å²	122.4	74%	0.744	73%	0.734	S	S	*	*			cis	-144.2	136	-0.1	0	0	0	0	0	107.8
1105	A	34.8	Very low	38.8	Very low	104 Å²	104	125.1 Å²	125.1	86%	0.86	73%	0.734	S	S	*	*				62.8	95.2	78.6	0	0	0	0	0	116.9
1106	A	36.9	Very low	38.9	Very low	101 Å²	101	123 Å²	123	84%	0.835	73%	0.726	S	S	*	*			trans	-163.3	151	149.7	0	0	0	0	0	114
1107	K	37.5	Very low	39.2	Very low	201 Å²	201	122.5 Å²	122.5	87%	0.874	72%	0.72	S	S	*	*			trans	-147.9	-171.4	159.3	-42.3	170.6	-173	151	0	105.2
1108	P	49.9	Very low	39.5	Very low	107 Å²	107	127.1 Å²	127.1	70%	0.695	72%	0.722	S	S	*	*			cis	-128.6	-138.9	-19	32.8	-9.5	0	0	0	109.4
1109	S	38.5	Very low	39.8	Very low	84 Å²	84	131.2 Å²	131.2	59%	0.587	72%	0.722	S	S	*	*			trans	80.2	129.4	150.3	-74.2	0	0	0	0	118.1
1110	K	35.3	Very low	40	Very low	163 Å²	163	127.5 Å²	127.5	71%	0.709	72%	0.715	S	S	*	*				72.9	142	81.5	-59	-176.4	-172.6	176.1	0	113.8
1111	K	39.4	Very low	40.5	Very low	96 Å²	96	130 Å²	130	42%	0.417	72%	0.715	S	S	.	*			cis	-171.9	148.9	-10.5	-104.5	-1.2	-155.6	-76.4	0	109.4	A798 L799	A798-K1111 HydrophobicContact CB-CB 3.84Å; A798-K1111 HydrophobicContact CB-CD 3.4Å; A798-K1111 HydrophobicContact CB-CG 3.51Å; L799-K1111 HydrophobicContact CB-CG 4.19Å; L799-K1111 HydrophobicContact CD1-CD 4.42Å; L799-K1111 HydrophobicContact CD1-CG 3.9Å; L799-K1111 VanDerWaalsContact CD1-NZ 3.26Å
1112	T	39.4	Very low	41	Very low	53 Å²	53	133.1 Å²	133.1	33%	0.325	71%	0.71	S	S	.	*			trans	83.6	137.7	147.7	14.6	0	0	0	0	124.8	T797 A798 L799	T797-T1112 WeakPolarHBondContact O-CA 3.36Å; A798-T1112 HydrophobicContact CB-CG2 3.7Å; A798-T1112 WeakPolarHBondContact O-CG2 2.78Å; L799-T1112 WeakPolarHBondContact O-CG2 3.09Å
1113	K	41.5	Very low	41.5	Very low	147 Å²	147	132.8 Å²	132.8	64%	0.639	70%	0.702	S	S	*	*			trans	75.3	160.8	140.5	-80.2	159.8	-171.8	158.9	0	115.8	T797	T797-K1113 PolarHBondContact O-N 2.88Å
1114	K	40.6	Very low	42.1	Very low	159 Å²	159	135.9 Å²	135.9	69%	0.691	70%	0.696	S	S	*	*			cis	-155.3	149.7	9.7	-136.4	165.3	-175.3	172.1	0	111.1
1115	K	44.8	Very low	42.5	Very low	170 Å²	170	137 Å²	137	74%	0.739	69%	0.694	S	S	*	*			trans	65.2	168.9	152.6	-78.8	170.7	179	178.8	0	116
1116	K	43.4	Very low	43	Very low	152 Å²	152	136.2 Å²	136.2	66%	0.661	69%	0.687	S	S	*	*			cis	-151.6	135	-1.7	-137.2	173.1	-177.9	-179.4	0	111.5
1117	K	44.4	Very low	43.3	Very low	175 Å²	175	138.1 Å²	138.1	76%	0.761	68%	0.683	S	S	*	*			trans	57.2	171.7	147.2	-76.4	177.6	179.8	-177.5	0	117.1
1118	K	44.4	Very low	43.6	Very low	163 Å²	163	132.4 Å²	132.4	71%	0.709	67%	0.673	S	S	*	*			cis	-133.1	139.3	-12.4	-133.1	175.5	177.6	-177.7	0	107.1
1119	K	46.1	Very low	43.4	Very low	181 Å²	181	130.8 Å²	130.8	79%	0.787	67%	0.669	S	S	*	*				25.3	130.1	114.5	-47.4	-175.2	179.5	-173.7	0	114.3
1120	S	42.7	Very low	44.4	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	67%	0.673	S	S	*	*				-178.4	168.3	76.6	-73.5	0	0	0	0	109.2
1121	K	46.8	Very low	45.3	Very low	181 Å²	181	129.4 Å²	129.4	79%	0.787	68%	0.675	S	S	*	*			cis	-172	167.3	-14.8	-102.9	-179	-179.9	177.2	0	104
1122	K	47.9	Very low	45.4	Very low	165 Å²	165	128.2 Å²	128.2	72%	0.717	68%	0.683	S	S	*	*			cis	-171.7	-179.3	-19.5	-172.8	-174.2	170.5	-169.7	0	105.4
1123	S	45	Very low	45.6	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	71%	0.708	S	S	*	*			trans	81.2	144.5	151.8	-49.9	0	0	0	0	115.9
1124	K	47.4	Very low	45.6	Very low	167 Å²	167	131.3 Å²	131.3	73%	0.726	72%	0.719	S	S	*	*			cis	-140.8	136.6	-18	-151.7	67	-171.9	-59.5	0	103.2
1125	V	45.8	Very low	45.5	Very low	115 Å²	115	128.8 Å²	128.8	70%	0.697	73%	0.727	S	S	*	*				56.3	126.7	60.2	-167.2	0	0	0	0	108.7
1126	A	46.1	Very low	45.3	Very low	87 Å²	87	125.1 Å²	125.1	72%	0.719	73%	0.729	S	S	*	*				-151.4	-178	52.5	0	0	0	0	0	111.9
1127	D	42.8	Very low	46.1	Very low	141 Å²	141	123.6 Å²	123.6	75%	0.754	73%	0.734	S	S	*	*			cis	-150.5	147.3	-10.9	-130.5	23.7	0	0	0	109.9
1128	A	42.8	Very low	46.7	Very low	80 Å²	80	121 Å²	121	66%	0.661	74%	0.736	S	S	*	*				78.5	166	86.2	0	0	0	0	0	114.4
1129	A	46.8	Very low	46.6	Very low	74 Å²	74	117.6 Å²	117.6	61%	0.612	74%	0.738	S	S	*	*			cis	-126.6	177.6	3.8	0	0	0	0	0	112.5	K903	K903-A1129 PolarHBondContact NZ-O 3.16Å
1130	P	58.2	Low	46.5	Very low	101 Å²	101	118.6 Å²	118.6	66%	0.656	75%	0.745	S	S	*	*			trans	-78.4	-93.5	-133.4	29.8	-36.2	0	0	0	122	K903	K903-P1130 PolarHBondContact NZ-O 3.21Å
1131	P	55.4	Low	46.1	Very low	116 Å²	116	117.1 Å²	117.1	75%	0.753	75%	0.746	S	S	*	*				-105.2	-158.9	-90.4	42	-38.6	0	0	0	113.8
1132	A	41.8	Very low	46.1	Very low	71 Å²	71	113.3 Å²	113.3	59%	0.587	75%	0.748	S	S	*	*			cis	-153.7	171.3	-1.9	0	0	0	0	0	108.7
1133	E	43.7	Very low	46.3	Very low	181 Å²	181	111.1 Å²	111.1	85%	0.846	75%	0.751	S	S	*	*			cis	78.3	136.6	12.8	-67.6	66.3	-114.7	0	0	117.4
1134	G	40.3	Very low	46.2	Very low	85 Å²	85	111.5 Å²	111.5	88%	0.876	76%	0.759	S	S	*	*			cis	-155.4	172.5	-10.4	0	0	0	0	0	115.3
1135	A	39.3	Very low	45.9	Very low	105 Å²	105	107.4 Å²	107.4	87%	0.868	76%	0.757	S	S	*	*			trans	-110	179.7	-174.8	0	0	0	0	0	112.7
1136	A	41.3	Very low	45.8	Very low	94 Å²	94	111.5 Å²	111.5	78%	0.777	77%	0.768	S	S	*	*			cis	-161.5	-177.9	27.5	0	0	0	0	0	112.9
1137	P	59.2	Low	45.4	Very low	119 Å²	119	110.9 Å²	110.9	77%	0.773	77%	0.771	S	S	*	*			trans	-110.6	-158.9	-167.2	47.5	-39.1	0	0	0	113
1138	P	56.2	Low	45.8	Very low	121 Å²	121	108.9 Å²	108.9	79%	0.786	77%	0.774	S	S	*	*			cis	-140.3	166.8	-4.8	42.4	-24.8	0	0	0	118.4
1139	A	42.8	Very low	46.2	Very low	91 Å²	91	110.5 Å²	110.5	75%	0.752	78%	0.778	S	S	*	*			trans	-171.4	143.1	143.6	0	0	0	0	0	114
1140	E	43.7	Very low	45.9	Very low	202 Å²	202	112.2 Å²	112.2	94%	0.944	79%	0.785	S	S	*	*			trans	44.6	-176.2	148.6	-58.8	-174	126.8	0	0	123.7
1141	G	35.8	Very low	45.7	Very low	69 Å²	69	111.6 Å²	111.6	71%	0.711	79%	0.789	S	S	*	*			trans	-99.7	163.9	-164.4	0	0	0	0	0	115
1142	A	46.3	Very low	46	Very low	102 Å²	102	111.8 Å²	111.8	84%	0.843	79%	0.79	S	S	*	*				84.7	148.1	53	0	0	0	0	0	113.4
1143	P	51.7	Low	46.6	Very low	119 Å²	119	113.8 Å²	113.8	77%	0.773	80%	0.797	S	S	*	*			cis	-136.2	177.5	-7.9	42.4	-25.6	0	0	0	116.5
1144	A	42	Very low	46.7	Very low	101 Å²	101	109.1 Å²	109.1	84%	0.835	79%	0.789	S	S	*	*			trans	65.3	167.6	158.7	0	0	0	0	0	117.8
1145	A	42.9	Very low	46.9	Very low	81 Å²	81	114.1 Å²	114.1	67%	0.669	79%	0.79	S	S	*	*			cis	-147.6	166	-0.9	0	0	0	0	0	111.9
1146	E	42.7	Very low	46.9	Very low	201 Å²	201	112.4 Å²	112.4	94%	0.939	78%	0.782	S	S	*	*			trans	59.1	162.8	158.4	-66.8	170.8	175.7	0	0	118.9
1147	G	38.8	Very low	47	Very low	75 Å²	75	113 Å²	113	77%	0.773	79%	0.787	S	S	*	*			cis	-151.7	-177.1	0.2	0	0	0	0	0	113.6
1148	A	49.9	Very low	46.1	Very low	99 Å²	99	112 Å²	112	82%	0.818	79%	0.788	S	S	*	*			trans	-89.2	-161.6	-168.8	0	0	0	0	0	113
1149	P	52	Low	45.6	Very low	114 Å²	114	112.3 Å²	112.3	74%	0.74	79%	0.791	S	S	*	*			cis	-141.5	-174.8	6.9	44.2	-24	0	0	0	118.4
1150	S	41	Very low	45.5	Very low	109 Å²	109	112.6 Å²	112.6	76%	0.762	79%	0.793	S	S	*	*			trans	62.8	136.7	160.2	-58.2	0	0	0	0	120.3
1151	A	53	Low	45.5	Very low	89 Å²	89	111.8 Å²	111.8	74%	0.736	79%	0.789	S	S	*	*			cis	84	156.5	20.7	0	0	0	0	0	115.5
1152	P	61.1	Low	46.2	Very low	120 Å²	120	112.8 Å²	112.8	78%	0.779	78%	0.783	S	S	*	*			cis	-129.7	-138.4	-16.9	42.3	-22.8	0	0	0	110
1153	P	54.2	Low	46.3	Very low	112 Å²	112	111.9 Å²	111.9	73%	0.727	77%	0.768	S	S	*	*			cis	-130.9	-176.9	-28.6	40.8	-24.3	0	0	0	115.3
1154	A	47	Very low	46	Very low	83 Å²	83	110.6 Å²	110.6	69%	0.686	75%	0.751	S	S	*	*			trans	65.5	156.2	145.6	0	0	0	0	0	120.1
1155	E	43.8	Very low	46	Very low	191 Å²	191	111.8 Å²	111.8	89%	0.893	74%	0.739	S	S	*	*			cis	-157	175	-8.7	-128.6	177.8	139.1	0	0	111.9
1156	G	40.4	Very low	45.8	Very low	68 Å²	68	111.3 Å²	111.3	70%	0.701	74%	0.742	S	S	*	*			trans	80	101.9	165.9	0	0	0	0	0	116.1
1157	A	42.7	Very low	45.7	Very low	107 Å²	107	106.5 Å²	106.5	88%	0.884	74%	0.736	S	S	*	*				74.4	134	64.6	0	0	0	0	0	114.3
1158	A	40.8	Very low	45.6	Very low	97 Å²	97	112 Å²	112	80%	0.802	74%	0.742	S	S	*	*			cis	-155.5	160.8	-14	0	0	0	0	0	111
1159	P	44.7	Very low	45	Very low	129 Å²	129	111.6 Å²	111.6	84%	0.838	74%	0.738	S	S	*	*			trans	-114.8	150.6	-176.5	39.6	-29.9	0	0	0	115.4
1160	A	40.8	Very low	44.3	Very low	97 Å²	97	110.2 Å²	110.2	80%	0.802	74%	0.737	S	S	*	*			trans	-171.1	163.9	155.6	0	0	0	0	0	110.8
1161	E	43.7	Very low	44.1	Very low	185 Å²	185	114.8 Å²	114.8	86%	0.864	74%	0.743	S	S	*	*			cis	-148.8	161.9	-46.9	-106.4	-154.3	134.8	0	0	108.7
1162	P	50.3	Low	43.6	Very low	90 Å²	90	116.3 Å²	116.3	58%	0.584	75%	0.745	S	S	*	*			trans	-98.2	-152.9	179.1	41.5	-34.7	0	0	0	110.6
1163	P	49.2	Very low	42.4	Very low	82 Å²	82	115.9 Å²	115.9	53%	0.532	75%	0.746	S	S	.	*			cis	-73.8	-106.5	-38.6	-23.7	38.5	0	0	0	116.7	E499	E499-P1163 VanDerWaalsContact CD-CD 3.45Å; E499-P1163 HydrophobicContact CG-CB 4.27Å; E499-P1163 HydrophobicContact CG-CG 4.41Å; E499-P1163 VanDerWaalsContact OE1-CD 3.24Å; E499-P1163 WeakPolarHBondContact OE1-CD 3.38Å; E499-P1163 WeakPolarHBondContact OE1-CG 2.9Å
1164	K	45.5	Very low	41.5	Very low	92 Å²	92	119.5 Å²	119.5	40%	0.4	75%	0.75	S	S	.	*			cis	-152.5	160.9	23.4	-55.3	166.4	79.1	73.3	0	110.7	P497 A498 E499	P497-K1164 HydrophobicContact CB-CB 3.7Å; P497-K1164 HydrophobicContact CB-CD 4.43Å; P497-K1164 HydrophobicContact CB-CG 4.23Å; P497-K1164 HydrophobicContact CG-CB 3.89Å; P497-K1164 HydrophobicContact CG-CD 3.8Å; P497-K1164 HydrophobicContact CG-CG 3.82Å; P497-K1164 WeakPolarHBondContact O-CD 3.18Å; A498-K1164 VanDerWaalsContact N-CB 3.35Å; A498-K1164 CarbonylContact O-C 3.58Å; A498-K1164 VanDerWaalsContact O-CB 3.22Å; A498-K1164 WeakPolarHBondContact O-CB 3.38Å; E499-K1164 HydrophobicContact CB-CB 3.52Å; E499-K1164 HydrophobicContact CB-CD 4.13Å; E499-K1164 HydrophobicContact CB-CG 3.66Å; E499-K1164 HydrophobicContact CG-CB 3.43Å; E499-K1164 VanDerWaalsContact CG-CB 3.43Å; E499-K1164 HydrophobicContact CG-CD 4.42Å; E499-K1164 HydrophobicContact CG-CG 3.49Å; E499-K1164 VanDerWaalsContact CG-CG 3.49Å; E499-K1164 IonicContact OE2-NZ 2.92Å; E499-K1164 PolarHBondContact OE2-NZ 2.8Å
1165	E	40.9	Very low	41	Very low	127 Å²	127	124.2 Å²	124.2	59%	0.593	76%	0.755	S	S	*	*			trans	-60.8	178.1	-172.5	-58.9	-167.9	152.5	0	0	116.9	A498	A498-E1165 CarbonylContact O-C 3.16Å; A498-E1165 VanDerWaalsContact O-CA 3.29Å; A498-E1165 WeakPolarHBondContact O-CA 3.21Å; A498-E1165 PolarHBondContact O-N 2.97Å
1166	G	39	Very low	40.6	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	75%	0.747	S	S	*	*			cis	-168.7	-151.6	9.9	0	0	0	0	0	115.6
1167	A	40.7	Very low	40.4	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	75%	0.747	S	S	*	*			trans	-31.8	130.2	-176	0	0	0	0	0	117.4
1168	E	36.3	Very low	40.2	Very low	192 Å²	192	127.8 Å²	127.8	90%	0.897	74%	0.738	S	S	*	*				82.8	140.1	67.1	-168.2	169.9	-149.6	0	0	115.2
1169	A	37.3	Very low	40.3	Very low	89 Å²	89	130.1 Å²	130.1	74%	0.736	73%	0.73	S	S	*	*			trans	74	90.7	164.2	0	0	0	0	0	122.1
1170	A	39	Very low	40	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	72%	0.724	S	S	*	*				94.9	128.2	111.2	0	0	0	0	0	122.6
1171	K	35.7	Very low	40	Very low	204 Å²	204	134.5 Å²	134.5	89%	0.887	72%	0.718	S	S	*	*			trans	72.2	167.5	163.5	-54.1	172.5	-175.3	172.3	0	115.2
1172	P	42.2	Very low	39.9	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	71%	0.711	S	S	*	*			cis	-121.8	176.5	-9.2	34.6	-17.7	0	0	0	114.8
1173	S	36.6	Very low	39.7	Very low	112 Å²	112	134 Å²	134	78%	0.783	70%	0.704	S	S	*	*			trans	-74.6	137.8	169.9	-39.9	0	0	0	0	112.8
1174	K	35.1	Very low	39.2	Very low	188 Å²	188	134.8 Å²	134.8	82%	0.817	71%	0.712	S	S	*	*			trans	-169.1	117.9	151.9	-101.3	148.6	-174.2	-176.9	0	107.3
1175	K	36.6	Very low	39.1	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	71%	0.711	S	S	*	*				88.3	142.1	79.2	-91.4	-161.8	176.9	-175.7	0	112.6
1176	T	35.4	Very low	39.2	Very low	119 Å²	119	133 Å²	133	73%	0.73	70%	0.702	S	S	*	*			trans	74.2	161.1	166.8	86.3	0	0	0	0	115.8
1177	K	37	Very low	39.3	Very low	161 Å²	161	131.8 Å²	131.8	70%	0.7	69%	0.689	S	S	*	*			cis	-155.9	157.8	3.7	-139.5	152.3	-172.9	172.1	0	109.8
1178	K	38.6	Very low	39.6	Very low	160 Å²	160	134.3 Å²	134.3	70%	0.696	68%	0.682	S	S	*	*			trans	68.6	149.7	150.2	-82.8	163.7	-179.7	-178.3	0	116.6
1179	K	41.2	Very low	39.9	Very low	147 Å²	147	130.5 Å²	130.5	64%	0.639	67%	0.674	S	S	*	*			cis	-163.6	153.6	-9.6	-140.5	173.6	-175.8	178.7	0	111
1180	K	40.1	Very low	39.9	Very low	163 Å²	163	131.4 Å²	131.4	71%	0.709	67%	0.674	S	S	*	*			trans	68.4	153.3	144.2	-96.3	179.7	-179.7	-174.6	0	117.2
1181	K	39.4	Very low	39.6	Very low	155 Å²	155	136 Å²	136	67%	0.674	68%	0.681	S	S	*	*			cis	-161.3	137.3	-4.2	-157.7	-174.7	-179.4	-166.3	0	110.1
1182	K	41	Very low	39.7	Very low	165 Å²	165	130 Å²	130	72%	0.717	67%	0.669	S	S	*	*			trans	55.4	164.5	144.9	-83.3	-175.9	166.5	-175.1	0	119.4
1183	K	46.2	Very low	39.6	Very low	98 Å²	98	130.9 Å²	130.9	43%	0.426	67%	0.672	S	S	.	*			cis	-137	150.2	-24.4	-94.3	-179.7	-168.6	179.6	0	103.9	E876 G877	E876-K1183 WeakPolarHBondContact O-CE 3.29Å; E876-K1183 PolarHBondContact O-NZ 3.28Å; G877-K1183 WeakPolarHBondContact O-CD 3.24Å; G877-K1183 WeakPolarHBondContact O-CE 3.22Å; G877-K1183 PolarHBondContact O-NZ 3.3Å
1184	S	40.2	Very low	39.9	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	67%	0.671	S	S	*	*			cis	78.7	85.4	30.2	82.9	0	0	0	0	117.1
1185	K	42.3	Very low	40.1	Very low	91 Å²	91	126.2 Å²	126.2	40%	0.396	67%	0.665	S	S	.	*			trans	-144.9	130.2	134	-91.8	-173.1	171.7	-178.7	0	105	G557 A558 E876	G557-K1185 VanDerWaalsContact O-CD 3.32Å; G557-K1185 WeakPolarHBondContact O-CD 3.41Å; A558-K1185 WeakPolarHBondContact O-CD 3.32Å; E876-K1185 IonicContact OE1-NZ 2.75Å; E876-K1185 PolarHBondContact OE1-NZ 3.2Å
1186	K	43.5	Very low	40	Very low	90 Å²	90	121.9 Å²	121.9	39%	0.391	66%	0.664	S	S	.	*			cis	83.6	141.6	48	-166	176.4	-162.1	-167.6	0	110.4	A555 E556 G557 A558	A555-K1186 WeakPolarHBondContact O-CE 3.39Å; A555-K1186 PolarHBondContact O-NZ 2.92Å; E556-K1186 VanDerWaalsContact O-CD 3.23Å; E556-K1186 WeakPolarHBondContact O-CD 3.18Å; E556-K1186 WeakPolarHBondContact O-CE 3.32Å; E556-K1186 PolarHBondContact O-NZ 3.44Å; G557-K1186 WeakPolarHBondContact O-CB 3.33Å; G557-K1186 WeakPolarHBondContact O-CD 3.26Å; G557-K1186 WeakPolarHBondContact O-CG 3.38Å; A558-K1186 VanDerWaalsContact CA-O 3.26Å; A558-K1186 WeakPolarHBondContact CA-O 2.95Å; A558-K1186 WeakPolarHBondContact CB-O 3.44Å
1187	G	40.3	Very low	40.1	Very low	45 Å²	45	125.5 Å²	125.5	46%	0.464	67%	0.673	S	S	.	*			cis	-143.2	161.8	-4.5	0	0	0	0	0	110.7
1188	K	46.9	Very low	39.9	Very low	153 Å²	153	121.6 Å²	121.6	67%	0.665	68%	0.678	S	S	*	*				76.6	146.6	92.3	-88.9	-153.1	167.2	-157	0	114.6	P554	P554-K1188 PolarHBondContact O-NZ 3.4Å
1189	P	42.4	Very low	39.7	Very low	112 Å²	112	119.2 Å²	119.2	73%	0.727	69%	0.688	S	S	*	*			cis	-132.5	176.4	-25.6	39	-22.6	0	0	0	113.7
1190	S	37.6	Very low	39.4	Very low	108 Å²	108	116.8 Å²	116.8	76%	0.755	70%	0.696	S	S	*	*			trans	-111.1	140.9	165.4	54	0	0	0	0	110.1
1191	E	34.2	Very low	40	Very low	183 Å²	183	114.8 Å²	114.8	86%	0.855	70%	0.699	S	S	*	*			trans	-125.3	128.3	151.2	-106.1	160.2	122.7	0	0	106.1
1192	A	37.4	Very low	40.4	Very low	77 Å²	77	113 Å²	113	64%	0.636	70%	0.703	S	S	*	*			cis	73.1	135.8	32.5	0	0	0	0	0	112
1193	V	39.3	Very low	40.3	Very low	139 Å²	139	109.2 Å²	109.2	84%	0.842	70%	0.703	S	S	*	*			cis	-142.4	168.5	5.1	-120.5	0	0	0	0	109.8
1194	P	44.2	Very low	39.9	Very low	118 Å²	118	111 Å²	111	77%	0.766	71%	0.713	S	S	*	*			trans	-116.1	-158.2	-168.2	45.2	-35.9	0	0	0	114.5
1195	A	37.9	Very low	39.6	Very low	84 Å²	84	108.9 Å²	108.9	69%	0.694	71%	0.707	S	S	*	*			trans	89.1	147.1	168.4	0	0	0	0	0	115.9
1196	A	35.6	Very low	39.8	Very low	92 Å²	92	107 Å²	107	76%	0.76	71%	0.708	S	S	*	*			cis	-167.9	161.5	-11.2	0	0	0	0	0	109.6
1197	E	36.3	Very low	40.2	Very low	195 Å²	195	107.9 Å²	107.9	91%	0.911	72%	0.723	S	S	*	*			cis	-165.5	-29.1	-21.2	-179.1	167	108.5	0	0	111.6
1198	G	32.9	Very low	40.3	Very low	79 Å²	79	110.1 Å²	110.1	81%	0.814	74%	0.737	S	S	*	*			trans	-84.8	163.9	178.2	0	0	0	0	0	114.6
1199	A	34.8	Very low	40.3	Very low	110 Å²	110	106.9 Å²	106.9	91%	0.909	74%	0.739	S	S	*	*			cis	-140	-150.6	15	0	0	0	0	0	114.3
1200	A	34.8	Very low	40.3	Very low	96 Å²	96	110 Å²	110	79%	0.793	74%	0.744	S	S	*	*			trans	-92.2	169.6	-162.2	0	0	0	0	0	114.7
1201	P	53.6	Low	40.3	Very low	120 Å²	120	107.2 Å²	107.2	78%	0.779	73%	0.732	S	S	*	*			trans	-96	-179.4	-170.2	46.2	-40.4	0	0	0	111.4
1202	P	48.2	Very low	41	Very low	118 Å²	118	102.8 Å²	102.8	77%	0.766	73%	0.726	S	S	*	*				-153.7	-175.4	65.5	43.1	-21.9	0	0	0	117.4
1203	A	37.4	Very low	41.6	Very low	86 Å²	86	105.1 Å²	105.1	71%	0.711	74%	0.735	S	S	*	*			trans	65.4	161.5	148.6	0	0	0	0	0	119.4
1204	E	37.6	Very low	41.6	Very low	136 Å²	136	101.8 Å²	101.8	64%	0.636	72%	0.722	S	S	*	*			cis	-153.4	178.2	-29.6	-115.7	-175.3	134.1	0	0	111.6
1205	G	35.3	Very low	41.5	Very low	55 Å²	55	100 Å²	100	57%	0.567	72%	0.717	S	S	*	*			trans	69.5	128.8	161.5	0	0	0	0	0	118.8
1206	A	46	Very low	42.4	Very low	52 Å²	52	101.5 Å²	101.5	43%	0.43	72%	0.72	S	S	.	*			cis	64.9	146	14	0	0	0	0	0	114.6	K1326 K1327	A1206-K1326 HydrophobicContact CB-CB 4.06Å; A1206-K1326 HydrophobicContact CB-CD 4.09Å; A1206-K1326 HydrophobicContact CB-CG 3.72Å; A1206-K1327 HydrophobicContact CB-CD 4.26Å
1207	P	51.8	Low	43	Very low	108 Å²	108	101.5 Å²	101.5	70%	0.701	71%	0.713	S	S	*	*			cis	-141.7	-166.8	26.1	43.7	-24.9	0	0	0	116.6
1208	A	42.3	Very low	43.1	Very low	92 Å²	92	96.7 Å²	96.7	76%	0.76	71%	0.706	S	S	*	*			trans	64.5	156.4	149.1	0	0	0	0	0	120.2
1209	A	46	Very low	43.4	Very low	85 Å²	85	102 Å²	102	70%	0.702	71%	0.709	S	S	*	*			cis	-169.4	-171.2	-26.7	0	0	0	0	0	106.6
1210	E	42.9	Very low	43.4	Very low	177 Å²	177	100 Å²	100	83%	0.827	70%	0.7	S	S	*	*			cis	-158	164.6	0.1	-168.3	41.2	-98.4	0	0	109
1211	G	38.7	Very low	43.4	Very low	49 Å²	49	100 Å²	100	51%	0.505	70%	0.7	S	S	.	*			trans	109.8	123.7	170.7	0	0	0	0	0	114
1212	A	48.2	Very low	42.9	Very low	90 Å²	90	98.6 Å²	98.6	74%	0.744	70%	0.699	S	S	*	*			cis	87.2	160	17.7	0	0	0	0	0	115.7
1213	P	49.5	Very low	42.8	Very low	127 Å²	127	98.7 Å²	98.7	83%	0.825	70%	0.699	S	S	*	*				-141.6	150.5	-83.4	38.1	-20.8	0	0	0	117.4
1214	A	40.1	Very low	42.6	Very low	68 Å²	68	98.6 Å²	98.6	56%	0.562	70%	0.698	S	S	*	*			trans	-160.2	145.7	153.4	0	0	0	0	0	110.2
1215	A	41.9	Very low	42.9	Very low	81 Å²	81	101 Å²	101	67%	0.669	71%	0.709	S	S	*	*			cis	111.9	130.8	9.8	0	0	0	0	0	113.2
1216	P	56.5	Low	43.6	Very low	115 Å²	115	104.2 Å²	104.2	75%	0.747	72%	0.72	S	S	*	*			trans	-103.5	-170.1	-160.9	44.1	-38.7	0	0	0	113
1217	P	48.2	Very low	43.5	Very low	93 Å²	93	107.2 Å²	107.2	60%	0.604	74%	0.736	S	S	*	*				-160.2	171.6	90.5	43.3	-23.9	0	0	0	118.9
1218	A	39.2	Very low	43.3	Very low	93 Å²	93	111.8 Å²	111.8	77%	0.769	74%	0.744	S	S	*	*			trans	58.3	178	135.5	0	0	0	0	0	122.5
1219	E	37.9	Very low	43.2	Very low	190 Å²	190	114.9 Å²	114.9	89%	0.888	74%	0.743	S	S	*	*				-163.6	146.7	-55.6	-175.7	175.3	177.9	0	0	109.8
1220	G	35.3	Very low	42.7	Very low	69 Å²	69	114 Å²	114	71%	0.711	74%	0.742	S	S	*	*			trans	95.1	169.2	156.6	0	0	0	0	0	116.7
1221	A	34.7	Very low	42.5	Very low	96 Å²	96	110.2 Å²	110.2	79%	0.793	74%	0.741	S	S	*	*			cis	-151.4	161.9	-4.8	0	0	0	0	0	111.7
1222	A	43.6	Very low	42.3	Very low	91 Å²	91	117.2 Å²	117.2	75%	0.752	76%	0.761	S	S	*	*			trans	-113.9	-156.3	175.2	0	0	0	0	0	109.9
1223	P	45	Very low	41.6	Very low	119 Å²	119	116.5 Å²	116.5	77%	0.773	76%	0.762	S	S	*	*			cis	-131.9	-177.3	-35.6	37.3	-21	0	0	0	113.9
1224	A	33.7	Very low	40.8	Very low	84 Å²	84	115.1 Å²	115.1	69%	0.694	76%	0.761	S	S	*	*			trans	93.2	133	137.7	0	0	0	0	0	124
1225	E	43.3	Very low	40.4	Very low	186 Å²	186	116.8 Å²	116.8	87%	0.869	78%	0.776	S	S	*	*			trans	66.8	160.6	150.3	-71	-177.8	155.9	0	0	119.2
1226	P	50.1	Low	40.1	Very low	123 Å²	123	117.2 Å²	117.2	80%	0.799	78%	0.779	S	S	*	*			cis	-93.4	-112	-1.2	37.5	-27.3	0	0	0	112.6
1227	P	45.6	Very low	39.8	Very low	116 Å²	116	116.2 Å²	116.2	75%	0.753	77%	0.773	S	S	*	*			cis	-123	-171.8	-5.6	44.1	-28.5	0	0	0	115.1
1228	K	47.5	Very low	39.3	Very low	204 Å²	204	116.5 Å²	116.5	89%	0.887	78%	0.777	S	S	*	*			trans	-157.7	142.7	161.5	-68.4	-177.7	-173.5	170.8	0	111.1
1229	E	38.9	Very low	39.5	Very low	156 Å²	156	121 Å²	121	73%	0.729	78%	0.779	S	S	*	*			trans	-170.1	168.1	146.6	-121.9	165	-176.8	0	0	112.5
1230	G	35	Very low	39.7	Very low	66 Å²	66	121 Å²	121	68%	0.68	78%	0.776	S	S	*	*			trans	70.3	139.6	169.1	0	0	0	0	0	118.4
1231	A	39.1	Very low	39.9	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	78%	0.78	S	S	*	*			cis	60.1	138.5	-1.7	0	0	0	0	0	116.9
1232	E	34.5	Very low	40.2	Very low	196 Å²	196	127.7 Å²	127.7	92%	0.916	78%	0.779	S	S	*	*			cis	-157.1	169.6	-19	-136.7	-174	152.3	0	0	110.5
1233	G	33.3	Very low	40.1	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	78%	0.777	S	S	*	*			trans	77.3	176.4	173.7	0	0	0	0	0	116.1
1234	A	33	Very low	40	Very low	98 Å²	98	133.7 Å²	133.7	81%	0.81	78%	0.776	S	S	*	*			cis	-153.9	169.9	-11.3	0	0	0	0	0	112
1235	A	31.2	Very low	40.5	Very low	104 Å²	104	137.6 Å²	137.6	86%	0.86	78%	0.777	S	S	*	*			trans	65.1	158.6	157.3	0	0	0	0	0	121.7
1236	A	37.4	Very low	40.5	Very low	90 Å²	90	137.7 Å²	137.7	74%	0.744	77%	0.774	S	S	*	*			trans	-134.6	-152.1	173.8	0	0	0	0	0	106.1
1237	P	49.3	Very low	40.3	Very low	94 Å²	94	142 Å²	142	61%	0.61	78%	0.78	S	S	*	*			cis	-144.2	-167.2	-4.1	42.7	-21.8	0	0	0	116.5	K1239	P1237-K1239 PolarHBondContact O-NZ 2.7Å
1238	S	37.7	Very low	40.3	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	78%	0.783	S	S	*	*			trans	74.7	165.5	146.7	-69.3	0	0	0	0	120.5
1239	K	42.4	Very low	40.2	Very low	186 Å²	186	140.5 Å²	140.5	81%	0.809	78%	0.776	S	S	*	*			trans	95.5	147.4	-169.6	-50	146.9	-144.5	93.7	0	112.3	P1237	P1237-K1239 PolarHBondContact O-NZ 2.7Å
1240	K	43.4	Very low	40.5	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.826	79%	0.786	S	S	*	*			cis	-152.4	32.8	-6.5	-128.5	174.8	-177.7	178.7	0	116.3
1241	T	38.6	Very low	41.1	Very low	131 Å²	131	148.1 Å²	148.1	80%	0.804	79%	0.787	S	S	*	*			trans	84	177.7	173.5	80.6	0	0	0	0	118.2
1242	K	40.7	Very low	41.4	Very low	176 Å²	176	146.2 Å²	146.2	77%	0.765	77%	0.768	S	S	*	*			cis	-161.6	153	18.8	-138.4	161.8	-168.1	164.1	0	116.2
1243	K	41.4	Very low	42.3	Very low	164 Å²	164	143.7 Å²	143.7	71%	0.713	75%	0.754	S	S	*	*			trans	67.8	128.2	149	-89.8	172.7	179.9	171.4	0	126.5
1244	K	44	Very low	43	Very low	172 Å²	172	146.5 Å²	146.5	75%	0.748	75%	0.745	S	S	*	*			trans	72.8	145.7	137.9	-77.9	-179	-179.8	178.6	0	121.8
1245	K	44.3	Very low	43.8	Very low	165 Å²	165	146.9 Å²	146.9	72%	0.717	74%	0.738	S	S	*	*			cis	-165	154.9	-17.6	-150.9	175.4	-176.7	171.9	0	114
1246	K	43.7	Very low	44.5	Very low	188 Å²	188	145.9 Å²	145.9	82%	0.817	73%	0.729	S	S	*	*			trans	64.6	151.1	153	-96.7	178.6	176.3	-176.6	0	122
1247	K	44.6	Very low	44.8	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.926	73%	0.727	S	S	*	*				-135.2	-116.8	-62.2	-149	167.6	-174.7	176.3	0	108.5
1248	K	45.4	Very low	44.9	Very low	186 Å²	186	145.3 Å²	145.3	81%	0.809	73%	0.732	S	S	*	*			cis	-163.9	147.4	-8.8	-168.8	-165.2	177.3	-178.3	0	109
1249	S	46	Very low	45.2	Very low	104 Å²	104	149 Å²	149	73%	0.727	74%	0.738	S	S	*	*			trans	65.7	130	153	43	0	0	0	0	124.4
1250	K	46	Very low	45.5	Very low	216 Å²	216	143.7 Å²	143.7	94%	0.939	74%	0.737	S	S	*	*			cis	-147.5	-149.5	-2.8	-151.8	180	-179.8	179.7	0	113
1251	K	47.9	Very low	45.8	Very low	165 Å²	165	138.3 Å²	138.3	72%	0.717	73%	0.728	S	S	*	*			trans	-138.2	176.9	-166.4	-161.9	-178.7	177.9	-178.4	0	114.1
1252	S	45.7	Very low	46.3	Very low	58 Å²	58	136 Å²	136	41%	0.406	72%	0.722	S	S	.	*			trans	81.7	148.1	154.7	-58.3	0	0	0	0	120.4	K296 S297	K296-S1252 PolarHBondContact NZ-O 2.69Å; K296-S1252 CarbonylContact O-C 3.25Å; S297-S1252 VanDerWaalsContact OG-C 3.31Å; S297-S1252 PolarHBondContact OG-N 2.75Å; S297-S1252 PolarHBondContact OG-O 2.68Å
1253	K	51.9	Low	47.2	Very low	143 Å²	143	133 Å²	133	62%	0.622	72%	0.72	S	S	*	*			cis	-162.4	122.6	-5.8	160	-178.8	177.4	179	0	110.8	K296	K296-K1253 CarbonylContact O-C 3.14Å; K296-K1253 VanDerWaalsContact O-C 3.25Å; K296-K1253 WeakPolarHBondContact O-CA 3.45Å; K296-K1253 PolarHBondContact O-N 2.79Å
1254	K	49.5	Very low	47.5	Very low	134 Å²	134	129.5 Å²	129.5	58%	0.583	72%	0.723	S	S	*	*			trans	53.9	174	130.8	-52.4	-176.9	62.8	171.2	0	121.6	K296	K296-K1254 PolarHBondContact O-N 2.69Å
1255	T	48.2	Very low	47.6	Very low	107 Å²	107	129.5 Å²	129.5	66%	0.656	73%	0.725	S	S	*	*			cis	-147	-173.9	11.5	-28.2	0	0	0	0	109.9
1256	A	45.8	Very low	47.8	Very low	82 Å²	82	125.5 Å²	125.5	68%	0.678	73%	0.731	S	S	*	*			cis	-150.7	-176.6	12.2	0	0	0	0	0	109.4
1257	A	44.8	Very low	48.2	Very low	84 Å²	84	121.7 Å²	121.7	69%	0.694	73%	0.734	S	S	*	*			cis	75.6	145.9	17.8	0	0	0	0	0	116.7
1258	A	50.2	Low	49	Very low	88 Å²	88	116.7 Å²	116.7	73%	0.727	72%	0.724	S	S	*	*			cis	-147.7	-179.2	9.7	0	0	0	0	0	114.7
1259	E	44.2	Very low	49.2	Very low	176 Å²	176	112.7 Å²	112.7	82%	0.822	73%	0.725	S	S	*	*			trans	-140.5	171	-163.8	-50.4	74.7	28.1	0	0	111.8
1260	G	50	Low	49.4	Very low	76 Å²	76	112.7 Å²	112.7	78%	0.784	73%	0.731	S	S	*	*			cis	-178.3	-152.7	6.6	0	0	0	0	0	113.5
1261	A	48.1	Very low	50.2	Low	77 Å²	77	108.6 Å²	108.6	64%	0.636	73%	0.727	S	S	*	*			trans	91.4	168.1	176	0	0	0	0	0	119.1
1262	A	49.4	Very low	50.4	Low	82 Å²	82	105.2 Å²	105.2	68%	0.678	73%	0.729	S	S	*	*			cis	-159.4	179.9	17.5	0	0	0	0	0	114.4
1263	P	60.7	Low	50.8	Low	112 Å²	112	112.2 Å²	112.2	73%	0.727	76%	0.756	S	S	*	*			trans	-139.1	177.5	-157.1	45.5	-29.9	0	0	0	122.1
1264	A	47.5	Very low	50.7	Low	92 Å²	92	109.4 Å²	109.4	76%	0.76	77%	0.768	S	S	*	*			trans	-177.3	127.8	161.5	0	0	0	0	0	116.2
1265	E	45.1	Very low	50.7	Low	172 Å²	172	106.6 Å²	106.6	80%	0.804	78%	0.776	S	S	*	*			trans	-154.5	165.6	-173.7	-51.6	77.2	34.6	0	0	112.5
1266	G	49.3	Very low	50.7	Low	81 Å²	81	106.8 Å²	106.8	84%	0.835	79%	0.789	S	S	*	*			cis	160.9	136.1	-12.7	0	0	0	0	0	114.6
1267	A	51.2	Low	50.7	Low	107 Å²	107	108 Å²	108	88%	0.884	80%	0.799	S	S	*	*			trans	-158.9	160.7	179.6	0	0	0	0	0	119.3
1268	P	61.5	Low	51	Low	109 Å²	109	108.6 Å²	108.6	71%	0.708	80%	0.804	S	S	*	*			trans	-141.4	-178.1	-164.1	44.8	-26.2	0	0	0	120.4
1269	A	51.3	Low	51.8	Low	102 Å²	102	109.9 Å²	109.9	84%	0.843	81%	0.805	S	S	*	*			trans	-164.6	143.1	165.3	0	0	0	0	0	120.2
1270	A	49.5	Very low	52.4	Low	103 Å²	103	107.1 Å²	107.1	85%	0.851	80%	0.802	S	S	*	*			trans	68.9	153.9	144	0	0	0	0	0	127.2
1271	P	62.9	Low	52.3	Low	131 Å²	131	107.6 Å²	107.6	85%	0.851	80%	0.799	S	S	*	*			trans	-138.4	-177	-163.8	45.2	-26.1	0	0	0	119.1
1272	A	51.7	Low	52.3	Low	93 Å²	93	113.1 Å²	113.1	77%	0.769	81%	0.812	S	S	*	*			trans	-161.9	145.8	164.8	0	0	0	0	0	116.3
1273	E	53.4	Low	52	Low	205 Å²	205	113 Å²	113	96%	0.958	82%	0.818	S	S	*	*			trans	41.1	149.2	160.6	-45.6	-153.3	129.4	0	0	122.3
1274	G	50.7	Low	51.1	Low	85 Å²	85	116.8 Å²	116.8	88%	0.876	83%	0.826	S	S	*	*			cis	168	171.5	1.5	0	0	0	0	0	108.5
1275	G	48.5	Very low	51.5	Low	74 Å²	74	116.9 Å²	116.9	76%	0.763	82%	0.819	S	S	*	*			cis	175.8	160.2	-8.2	0	0	0	0	0	111.5
1276	A	48	Very low	51.7	Low	111 Å²	111	114 Å²	114	92%	0.917	82%	0.815	S	S	*	*			trans	60.9	149.5	167.6	0	0	0	0	0	120.8
1277	A	47.6	Very low	51.4	Low	107 Å²	107	118.5 Å²	118.5	88%	0.884	81%	0.811	S	S	*	*			cis	-155	-179.5	-12.4	0	0	0	0	0	111
1278	A	50.1	Low	51.1	Low	97 Å²	97	122 Å²	122	80%	0.802	81%	0.81	S	S	*	*			trans	-126.7	175.5	-158.8	0	0	0	0	0	115.9
1279	P	66.3	Low	50.2	Low	116 Å²	116	120.3 Å²	120.3	75%	0.753	81%	0.812	S	S	*	*			trans	-96.8	-171.6	-178.9	42	-35.2	0	0	0	112.7
1280	P	58.2	Low	50	Low	118 Å²	118	124.2 Å²	124.2	77%	0.766	81%	0.813	S	S	*	*				-158.3	-167	92.3	41.7	-20.8	0	0	0	116.3
1281	A	47.6	Very low	49.8	Very low	86 Å²	86	123.8 Å²	123.8	71%	0.711	81%	0.809	S	S	*	*			trans	67	163.3	144.7	0	0	0	0	0	120.5
1282	E	47.6	Very low	48.7	Very low	193 Å²	193	121.1 Å²	121.1	90%	0.902	81%	0.805	S	S	*	*			cis	-161.2	-179.1	-40.1	-117.7	177.9	-179.1	0	0	109
1283	G	43	Very low	48.4	Very low	78 Å²	78	121.7 Å²	121.7	80%	0.804	81%	0.81	S	S	*	*			trans	97.9	126.3	162.7	0	0	0	0	0	117.3
1284	E	42	Very low	47.9	Very low	192 Å²	192	116.2 Å²	116.2	90%	0.897	80%	0.799	S	S	*	*			trans	-116.5	-168	169.1	-135.7	-155.5	129	0	0	109.9
1285	P	57.1	Low	47.6	Very low	94 Å²	94	118.1 Å²	118.1	61%	0.61	80%	0.799	S	S	*	*			trans	-113.4	-169	-133.6	40.4	-21.6	0	0	0	113.6
1286	P	48.7	Very low	47.5	Very low	111 Å²	111	118.7 Å²	118.7	72%	0.721	80%	0.797	S	S	*	*				-144.6	168.9	91.2	34.8	-16.6	0	0	0	117
1287	K	41.8	Very low	47.3	Very low	177 Å²	177	120.7 Å²	120.7	77%	0.77	79%	0.785	S	S	*	*			trans	-8.3	162.5	144.4	-27.7	165.4	-163.4	155.2	0	117.8
1288	E	45.7	Very low	47	Very low	181 Å²	181	122 Å²	122	85%	0.846	77%	0.771	S	S	*	*			cis	-150.5	176.4	39	-67.9	-165.3	144.8	0	0	114.8
1289	G	43.2	Very low	46.5	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	77%	0.767	S	S	*	*			trans	86.5	150.9	162.1	0	0	0	0	0	118.5
1290	E	46.5	Very low	45.4	Very low	184 Å²	184	122 Å²	122	86%	0.86	75%	0.751	S	S	*	*			cis	-163.2	177	-26.1	-131.9	-122.4	80.6	0	0	112.1
1291	A	45.2	Very low	44.7	Very low	94 Å²	94	120.6 Å²	120.6	78%	0.777	73%	0.733	S	S	*	*			trans	57.6	162.2	168.8	0	0	0	0	0	120.9
1292	G	40.4	Very low	44.5	Very low	74 Å²	74	122.8 Å²	122.8	76%	0.763	73%	0.726	S	S	*	*			trans	152.2	-17	166.6	0	0	0	0	0	121.1
1293	A	43.9	Very low	44	Very low	105 Å²	105	122.7 Å²	122.7	87%	0.868	72%	0.723	S	S	*	*			trans	59.2	167.3	162.8	0	0	0	0	0	123.3
1294	A	43.8	Very low	43.8	Very low	90 Å²	90	124 Å²	124	74%	0.744	71%	0.706	S	S	*	*			trans	79.1	72.9	152.7	0	0	0	0	0	123.5
1295	S	44.6	Very low	43.5	Very low	125 Å²	125	120.1 Å²	120.1	87%	0.874	70%	0.696	S	S	*	*				81.4	154.5	111.2	-66	0	0	0	0	125.9
1296	A	45.6	Very low	42.6	Very low	87 Å²	87	125.4 Å²	125.4	72%	0.719	71%	0.709	S	S	*	*			trans	61.2	103.4	173.4	0	0	0	0	0	118
1297	K	44	Very low	42.2	Very low	153 Å²	153	129.8 Å²	129.8	67%	0.665	72%	0.717	S	S	*	*				65.5	139	63.2	-59.4	179.5	-175.7	174.7	0	112.6	A637	A637-K1297 PolarHBondContact O-NZ 3.4Å
1298	K	42.8	Very low	42.1	Very low	133 Å²	133	129.8 Å²	129.8	58%	0.578	72%	0.717	S	S	*	*			cis	-150.9	154.2	10	-128.7	163.4	-177.5	176.7	0	112
1299	T	39	Very low	41.7	Very low	117 Å²	117	125.7 Å²	125.7	72%	0.718	71%	0.708	S	S	*	*			trans	34.6	139.1	152	47.2	0	0	0	0	123.1
1300	K	42.3	Very low	41.8	Very low	97 Å²	97	132 Å²	132	42%	0.422	72%	0.715	S	S	.	*			cis	74.1	154.8	37.4	-70.4	-170.5	-163	154	0	115.3	K371 E372 E640	K371-K1300 WeakPolarHBondContact O-CE 2.99Å; K371-K1300 PolarHBondContact O-NZ 2.68Å; E372-K1300 PolarHBondContact O-NZ 2.88Å; E640-K1300 IonicContact OE1-NZ 3.19Å; E640-K1300 PolarHBondContact OE1-NZ 2.65Å
1301	K	43.1	Very low	41.6	Very low	89 Å²	89	132.8 Å²	132.8	39%	0.387	72%	0.716	S	S	.	*			cis	178.6	159.8	-24.2	-173.4	-161.7	-171	-172.3	0	108.6	K371 E372 E644	K371-K1301 PolarHBondContact O-NZ 2.69Å; E372-K1301 IonicContact OE1-NZ 2.75Å; E372-K1301 PolarHBondContact OE1-NZ 2.92Å; E372-K1301 WeakPolarHBondContact OE2-CD 2.92Å; E372-K1301 WeakPolarHBondContact OE2-CE 3.23Å; E372-K1301 IonicContact OE2-NZ 3.11Å; E372-K1301 PolarHBondContact OE2-NZ 2.73Å; E644-K1301 IonicContact OE1-NZ 2.65Å; E644-K1301 PolarHBondContact OE1-NZ 2.73Å
1302	K	43.4	Very low	41.6	Very low	132 Å²	132	131.5 Å²	131.5	57%	0.574	71%	0.705	S	S	*	*			trans	-12.3	153.1	163	-54.1	172.6	-179.8	-178.4	0	119.4
1303	K	38.2	Very low	42.1	Very low	190 Å²	190	133 Å²	133	83%	0.826	70%	0.701	S	S	*	*				-143.3	144.2	113.3	-110.3	175.1	-178.5	-179.3	0	108.5
1304	K	38.9	Very low	42.2	Very low	106 Å²	106	135.9 Å²	135.9	46%	0.461	70%	0.701	S	S	.	*			cis	65.7	131.5	33.4	-91.1	-149	168.3	-169.5	0	114	E647	E647-K1304 WeakPolarHBondContact OE1-CE 3.5Å; E647-K1304 IonicContact OE1-NZ 2.59Å; E647-K1304 PolarHBondContact OE1-NZ 2.63Å
1305	T	34.8	Very low	42.2	Very low	110 Å²	110	134.5 Å²	134.5	68%	0.675	69%	0.69	S	S	*	*			cis	158.6	129.1	-15.7	31.3	0	0	0	0	106.2
1306	K	38.5	Very low	42.2	Very low	205 Å²	205	136.5 Å²	136.5	89%	0.891	69%	0.686	S	S	*	*			trans	48.6	104.9	141.9	-170.2	-178.8	-178.3	177.1	0	120.4
1307	K	41	Very low	42.4	Very low	203 Å²	203	138 Å²	138	88%	0.883	69%	0.685	S	S	*	*			trans	-177.6	162.3	142.9	-98.2	-162.8	176.7	-176	0	108
1308	K	39.5	Very low	42.6	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	68%	0.684	S	S	*	*			cis	-173.1	147.9	-38.9	-161.6	-164.9	-179.8	-166.9	0	108.3
1309	S	37.2	Very low	42.4	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	68%	0.678	S	S	*	*			trans	67.1	151.4	149.1	50.8	0	0	0	0	122.2
1310	K	44.5	Very low	42.7	Very low	204 Å²	204	132.2 Å²	132.2	89%	0.887	69%	0.685	S	S	*	*			trans	71.6	145.7	174	-68	-174.4	176.3	-175.1	0	115.7
1311	K	43.5	Very low	42.7	Very low	201 Å²	201	134.4 Å²	134.4	87%	0.874	70%	0.701	S	S	*	*			cis	-157.2	152.3	-25	-168.1	-177.3	175.6	-166.6	0	107
1312	A	45	Very low	43.1	Very low	68 Å²	68	134.6 Å²	134.6	56%	0.562	71%	0.712	S	S	*	*			trans	-88.3	-173.4	177.8	0	0	0	0	0	111.7
1313	P	51.4	Low	42.9	Very low	105 Å²	105	134.6 Å²	134.6	68%	0.682	72%	0.723	S	S	*	*			cis	-139.2	-160.3	-3	33.3	-8.3	0	0	0	114.4
1314	L	44.4	Very low	43.1	Very low	165 Å²	165	129.1 Å²	129.1	86%	0.864	72%	0.721	S	S	*	*			trans	75	148.5	160.1	-59.4	160.8	0	0	0	117.4
1315	A	44.3	Very low	43.4	Very low	62 Å²	62	131.2 Å²	131.2	51%	0.512	73%	0.732	S	S	.	*			cis	-169.3	152.4	-19.6	0	0	0	0	0	111.2
1316	E	45.4	Very low	44	Very low	167 Å²	167	131 Å²	131	78%	0.78	72%	0.721	S	S	*	*			trans	58.1	165.1	145.5	-70.3	-174.5	121.6	0	0	119.3
1317	V	48.5	Very low	44.2	Very low	117 Å²	117	127.2 Å²	127.2	71%	0.709	71%	0.705	S	S	*	*			cis	-153	168.2	-2.5	101.3	0	0	0	0	110.6
1318	A	48.9	Very low	44.3	Very low	78 Å²	78	121.6 Å²	121.6	65%	0.645	70%	0.696	S	S	*	*			trans	63.1	166.6	169.3	0	0	0	0	0	116.7
1319	G	39.6	Very low	44.6	Very low	43 Å²	43	118.3 Å²	118.3	44%	0.443	69%	0.691	S	S	.	*			cis	124.6	133	3	0	0	0	0	0	109.6
1320	D	43.7	Very low	44.9	Very low	161 Å²	161	118.4 Å²	118.4	86%	0.861	70%	0.698	S	S	*	*			cis	-150.9	-178.6	14.8	-109.9	-103.9	0	0	0	112.5
1321	D	43.3	Very low	45	Very low	143 Å²	143	113.2 Å²	113.2	77%	0.765	69%	0.693	S	S	*	*			trans	-71.9	157.8	164	-125.4	-88	0	0	0	109.3
1322	P	50.9	Low	44.9	Very low	94 Å²	94	111.3 Å²	111.3	61%	0.61	69%	0.692	S	S	*	*				-159.6	167.5	74.1	44.3	-23.3	0	0	0	119.3
1323	T	40.3	Very low	44.6	Very low	131 Å²	131	111 Å²	111	80%	0.804	70%	0.695	S	S	*	*			trans	33.1	136	141.4	61.8	0	0	0	0	124.6
1324	G	41.7	Very low	44.8	Very low	76 Å²	76	111.5 Å²	111.5	78%	0.784	70%	0.699	S	S	*	*			trans	138.2	113.6	158	0	0	0	0	0	112.2
1325	E	45.5	Very low	45.4	Very low	149 Å²	149	109.4 Å²	109.4	70%	0.696	70%	0.695	S	S	*	*			cis	103.4	139	20.6	-148.5	-128.4	140.7	0	0	114.5
1326	K	47.9	Very low	45.7	Very low	105 Å²	105	112 Å²	112	46%	0.457	71%	0.71	S	S	.	*			trans	74.3	115.7	-176.4	-61.2	115.3	171.9	161.9	0	116.4	A1206	A1206-K1326 HydrophobicContact CB-CB 4.06Å; A1206-K1326 HydrophobicContact CB-CD 4.09Å; A1206-K1326 HydrophobicContact CB-CG 3.72Å
1327	K	42.5	Very low	46.3	Very low	126 Å²	126	109.9 Å²	109.9	55%	0.548	71%	0.71	S	S	.	*				88.3	133	91.4	-74.4	-172.7	178	-172.2	0	111.8	A1206	A1206-K1327 HydrophobicContact CB-CD 4.26Å
1328	A	42.5	Very low	46.2	Very low	85 Å²	85	108.4 Å²	108.4	70%	0.702	71%	0.71	S	S	*	*			cis	68.5	139.6	47.5	0	0	0	0	0	111.7
1329	V	45.7	Very low	46.3	Very low	109 Å²	109	110.9 Å²	110.9	66%	0.661	72%	0.717	S	S	*	*			cis	-145.2	130.8	25.2	172.4	0	0	0	0	109.2
1330	A	44.3	Very low	47	Very low	98 Å²	98	114.4 Å²	114.4	81%	0.81	73%	0.732	S	S	*	*				45.1	134.5	107.4	0	0	0	0	0	121
1331	A	44.8	Very low	47.1	Very low	94 Å²	94	112 Å²	112	78%	0.777	72%	0.723	S	S	*	*			trans	-151.7	129.6	153	0	0	0	0	0	106.7
1332	D	41.7	Very low	47.3	Very low	161 Å²	161	114.2 Å²	114.2	86%	0.861	73%	0.726	S	S	*	*				69.7	131.6	80.2	-113	-67.1	0	0	0	114.3
1333	G	39.1	Very low	47.2	Very low	61 Å²	61	118.7 Å²	118.7	63%	0.629	74%	0.736	S	S	*	*			cis	-157.9	-113.5	7.3	0	0	0	0	0	117.3
1334	P	56.8	Low	47.7	Very low	117 Å²	117	122.2 Å²	122.2	76%	0.76	74%	0.74	S	S	*	*				-132.8	-156.9	-121.8	41.8	-24.4	0	0	0	113.2
1335	P	55.6	Low	47.9	Very low	121 Å²	121	121.9 Å²	121.9	79%	0.786	74%	0.737	S	S	*	*			cis	-122.4	-168.9	-25.1	20.2	4.1	0	0	0	112.9
1336	S	51.4	Low	48	Very low	117 Å²	117	125 Å²	125	82%	0.818	75%	0.748	S	S	*	*			trans	-105	161.7	166.8	-62.1	0	0	0	0	112.4
1337	P	56.8	Low	48.1	Very low	121 Å²	121	123.5 Å²	123.5	79%	0.786	76%	0.755	S	S	*	*			trans	-125.6	115.5	151.2	34.2	-22.9	0	0	0	115
1338	A	47.3	Very low	48.4	Very low	86 Å²	86	125.9 Å²	125.9	71%	0.711	77%	0.766	S	S	*	*				47.2	115.2	119.3	0	0	0	0	0	122.7
1339	V	51.7	Low	48.9	Very low	131 Å²	131	131 Å²	131	79%	0.794	77%	0.767	S	S	*	*				22.5	146.6	126.2	-107.1	0	0	0	0	121.5
1340	P	53.7	Low	49.2	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	77%	0.771	S	S	*	*				-150.6	138.2	80.3	37.9	-18	0	0	0	120.2
1341	T	45.8	Very low	49.6	Very low	110 Å²	110	141 Å²	141	68%	0.675	79%	0.79	S	S	*	*			trans	27.4	139.5	139.2	73.9	0	0	0	0	122.9
1342	K	47.5	Very low	49.8	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.826	79%	0.79	S	S	*	*				-169.7	119.4	108.6	-101.9	153.4	-171.8	167.9	0	116.2
1343	K	48.8	Very low	50.3	Low	188 Å²	188	142.4 Å²	142.4	82%	0.817	79%	0.786	S	S	*	*			trans	54.7	137.6	140.7	-81.2	177.2	176	172.1	0	123.6
1344	K	51	Low	50.9	Low	205 Å²	205	146.9 Å²	146.9	89%	0.891	80%	0.795	S	S	*	*			trans	65.1	124.2	152.2	-67.9	178.9	176.3	-179.1	0	118.2
1345	G	45.9	Very low	50.5	Low	69 Å²	69	148.6 Å²	148.6	71%	0.711	80%	0.797	S	S	*	*			cis	157.4	149.1	4.8	0	0	0	0	0	114.1
1346	K	47.8	Very low	50.2	Low	214 Å²	214	150.4 Å²	150.4	93%	0.93	80%	0.798	S	S	*	*			trans	66.2	152.4	164.5	-64.7	-174.9	178.1	-176.8	0	118.6
1347	A	49.8	Very low	50.2	Low	74 Å²	74	152.6 Å²	152.6	61%	0.612	80%	0.797	S	S	*	*			cis	-178.6	136.8	-31.5	0	0	0	0	0	109.2
1348	K	48.8	Very low	49.7	Very low	177 Å²	177	154.9 Å²	154.9	77%	0.77	80%	0.798	S	S	*	*			trans	61.9	159.6	153.3	-63.2	-177.2	177.4	179	0	116.3
1349	R	52.5	Low	49.9	Very low	191 Å²	191	160.2 Å²	160.2	72%	0.721	80%	0.804	S	S	*	*			cis	-155.5	165.2	-23.7	-115	-177.5	177.3	167.7	-3.5	108
1350	N	51.8	Low	49.7	Very low	141 Å²	141	162.6 Å²	162.6	75%	0.754	81%	0.805	S	S	*	*			trans	43.8	131	145.6	-55.7	15	0	0	0	118.5
1351	K	53.2	Low	49.3	Very low	276 Å²	276	166.8 Å²	166.8	100%	1.2	81%	0.81	S	S	*	*			cis	-139.1	0	49.8	-159	169.3	-173.8	173.6	0	112.9

Retrieved 1,351 of 1,351 residues in 572.5 ms (Link to these results)

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