NBPFJ_HUMAN Loading...

NBPF family member NBPF19 Fragmented

AlphaFold DB , UniProt , Accession A0A087WUL8, Species HUMAN (Homo sapiens, Human), Gene NBPF19, Length 3,843 aa.

						>NBPFJ_HUMAN|A0A087WUL8|NBPF19
MVVSAGPWSSEKAEMNILEINETLRPQLAEKKQQFRNLKEKCFLTQLAGFLANRQKKYKYEECKDLIKFMLRNERQFKEEKLAEQLKQAEELRQYKVLFHSQERELTQLREKLREGRDASRSLNEHLQALLTPDEPDKSQGQDLQEQLAEGCRLAQHLVQKLSPENDNDDDEDVQVEVAEKVQKSSAPREMQKAEEKEVPEDSLEECAITYSNSHGPYDSNQPHRKTKITFEEDKVDSTLIGSSSHVEWEDAVHIIPENESDDEEEEEKGPVSPRNLQESEEEEVPQESWDEGYSTLSIPPEMLASYQSYSSTFHSLEEQQVCMAVDIGRHRWDQVKKEDQEATGPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYVLEQQRVGLAIDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELVEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELVEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAIDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELVEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELVEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELVEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSIPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQDPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLDEKEPEVLQDSLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLAEKEPEVLQDPLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLAEKEPEVLQDPLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLSRELLDEKGPEVLQDSLDRCYSTPSGCLELTDSCQPYRSAFYILEQQCVGLAVDMDEIEKYQEVEEDQDPSCPRLSRELLAEKEPEVLQDPLDRCYSTPSGYLELPDLGQPYSSAVYSLEEQYLGLALDVDRIKKDQEEEEDQGPPCPRLSRELLEVVEPEVLQDSLDRCYSTPSSCLEQPDSCQPYGSSFYALEEKHVGFSLDVGEIEKKGKGKKRRGRRSKKERRRGRKEGEEDQNPPCPRLNSVLMEVEEPEVLQDSLDGCYSTPSMYFELPDSFQHYRSVFYSFEEEHISFALYLDNRFFTLTVTSLHLVFQMLVIFPQ
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 14 Fragment Structures PDBs 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	36.4	Very low	44.3	Very low	236 Å²	236	129.9 Å²	129.9	100%	1.163	75%	0.753	S	S	*	*				0	143.7	0	-76.7	160.2	159.9	0	0	108.3	V3	M1-V3 PolarHBondContact O-N 3.11Å
2	V	39.4	Very low	44.9	Very low	129 Å²	129	132.3 Å²	132.3	78%	0.782	75%	0.748	S	S	*	*			trans	-67.4	123.9	154.4	174	0	0	0	0	105.7	S4	V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 2.74Å
3	V	42.1	Very low	45.6	Very low	137 Å²	137	129.1 Å²	129.1	83%	0.83	75%	0.748	S	S	*	*			trans	-71.5	98.1	167.7	177.6	0	0	0	0	105.5	M1 A5	M1-V3 PolarHBondContact O-N 3.11Å; V3-A5 PolarHBondContact O-N 2.69Å
4	S	44.7	Very low	46.3	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	74%	0.742	S	S	*	*			trans	-62.1	109.1	176.3	-60.1	0	0	0	0	107.1	V2 G6	V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 2.74Å; S4-G6 PolarHBondContact O-N 3.39Å
5	A	45.2	Very low	47.1	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	72%	0.72	S	S	*	*			trans	-65.5	89.7	165.2	0	0	0	0	0	106.5	V3	V3-A5 PolarHBondContact O-N 2.69Å
6	G	40.4	Very low	48.6	Very low	49 Å²	49	124.7 Å²	124.7	51%	0.505	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-52.3	136.1	176.1	0	0	0	0	0	108.6	S4 W8	S4-G6 PolarHBondContact O-N 3.39Å; G6-W8 PolarHBondContact O-N 3.47Å
7	P	45.9	Very low	49.8	Very low	128 Å²	128	125.2 Å²	125.2	83%	0.831	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.1	130.9	-175.5	22.6	-33.3	0	0	0	109.1	S9	P7-S9 PolarHBondContact O-N 3.43Å; P7-S9 VanDerWaalsContact O-N 3.16Å
8	W	41	Very low	50.8	Low	255 Å²	255	124.6 Å²	124.6	97%	0.966	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-52.9	125.8	178.3	-69.2	-22	0	0	0	108.9	G6 S10	G6-W8 PolarHBondContact O-N 3.47Å; W8-S10 PolarHBondContact O-N 3.26Å; W8-S10 VanDerWaalsContact O-N 3.11Å
9	S	48.3	Very low	52.3	Low	66 Å²	66	123.1 Å²	123.1	46%	0.462	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-48.4	116.1	-175.4	51.3	0	0	0	0	111	P7 E11 K12	P7-S9 PolarHBondContact O-N 3.43Å; P7-S9 VanDerWaalsContact O-N 3.16Å; S9-E11 PolarHBondContact O-N 3.24Å; S9-K12 PolarHBondContact O-N 3.42Å
10	S	53.4	Low	53.7	Low	71 Å²	71	120.6 Å²	120.6	50%	0.497	67%	0.67	S	S	.	*	G	3₁₀ helix	trans	-59.1	-21.3	-179	59.8	0	0	0	0	112.6	W8 K12 A13 E14	W8-S10 PolarHBondContact O-N 3.26Å; W8-S10 VanDerWaalsContact O-N 3.11Å; S10-K12 PolarHBondContact O-N 2.76Å; S10-A13 CarbonylContact O-C 3.54Å; S10-A13 WeakPolarHBondContact O-CA 3.31Å; S10-A13 WeakPolarHBondContact O-CB 2.82Å; S10-A13 PolarHBondContact O-N 3.46Å; S10-E14 WeakPolarHBondContact CB-OE1 2.85Å; S10-E14 PolarHBondContact O-N 3.2Å; S10-E14 PolarHBondContact OG-OE1 3.29Å
11	E	50.5	Low	54.9	Low	161 Å²	161	118.2 Å²	118.2	75%	0.752	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-45	-18.4	164.8	-161.5	172.2	-146.3	0	0	115.6	S9	S9-E11 PolarHBondContact O-N 3.24Å
12	K	51.4	Low	57	Low	159 Å²	159	113.7 Å²	113.7	69%	0.691	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-104.8	-11.3	169.8	-75.5	-170	176.9	-179.3	0	115.7	S9 S10 M15	S9-K12 PolarHBondContact O-N 3.42Å; S10-K12 PolarHBondContact O-N 2.76Å; K12-M15 HydrophobicContact CB-CE 4.33Å; K12-M15 HydrophobicContact CG-CE 4.21Å
13	A	53.9	Low	59.3	Low	90 Å²	90	111.1 Å²	111.1	74%	0.744	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-28.1	168.6	0	0	0	0	0	111.5	S10 M15	S10-A13 CarbonylContact O-C 3.54Å; S10-A13 WeakPolarHBondContact O-CA 3.31Å; S10-A13 WeakPolarHBondContact O-CB 2.82Å; S10-A13 PolarHBondContact O-N 3.46Å; A13-M15 VanDerWaalsContact C-N 3.28Å; A13-M15 PolarHBondContact O-N 3.03Å
14	E	55	Low	61.2	Low	143 Å²	143	109.1 Å²	109.1	67%	0.668	60%	0.601	S	S	*	*			trans	-89.4	23.9	178.5	-67.7	169.2	-138.5	0	0	113.1	S10 N16	S10-E14 WeakPolarHBondContact CB-OE1 2.85Å; S10-E14 PolarHBondContact O-N 3.2Å; S10-E14 PolarHBondContact OG-OE1 3.29Å; E14-N16 PolarHBondContact O-N 2.99Å; E14-N16 VanDerWaalsContact O-N 3.11Å
15	M	58.8	Low	63.2	Low	83 Å²	83	112.8 Å²	112.8	41%	0.409	60%	0.599	S	S	.	*			trans	-57.2	118.8	162.8	-71.4	-180	-168.5	0	0	108.2	K12 A13 I17 I20	K12-M15 HydrophobicContact CB-CE 4.33Å; K12-M15 HydrophobicContact CG-CE 4.21Å; A13-M15 VanDerWaalsContact C-N 3.28Å; A13-M15 PolarHBondContact O-N 3.03Å; M15-I17 PolarHBondContact O-N 2.88Å; M15-I20 HydrophobicContact CB-CD1 4.1Å; M15-I20 HydrophobicContact CB-CG1 4.01Å
16	N	71.6	Confident	65	Low	91 Å²	91	111.6 Å²	111.6	49%	0.487	58%	0.583	S	S	.	*			trans	-60.2	141.1	-174.7	-171.6	-32.7	0	0	0	109.5	E14 L18 E19 I20	E14-N16 PolarHBondContact O-N 2.99Å; E14-N16 VanDerWaalsContact O-N 3.11Å; N16-L18 CarbonylContact O-C 3.56Å; N16-L18 PolarHBondContact O-N 3.47Å; N16-L18 WeakPolarHBondContact OD1-CB 3.5Å; N16-L18 WeakPolarHBondContact OD1-CG 3.08Å; N16-L18 PolarHBondContact OD1-N 3.5Å; N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 WeakPolarHBondContact O-CA 3.3Å; N16-E19 WeakPolarHBondContact O-CB 3.49Å; N16-E19 PolarHBondContact O-N 3.35Å; N16-I20 PolarHBondContact O-N 3.05Å
17	I	69.1	Low	67.3	Low	133 Å²	133	114.4 Å²	114.4	68%	0.682	58%	0.583	S	S	*	*	H	α-helix	trans	-55.6	-26.2	176.1	-61.4	175.5	0	0	0	111	M15 N21	M15-I17 PolarHBondContact O-N 2.88Å; I17-N21 PolarHBondContact O-N 2.96Å; I17-N21 VanDerWaalsContact O-N 3.16Å
18	L	67.9	Low	69.3	Low	115 Å²	115	112.8 Å²	112.8	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-53.2	168.7	-61.6	175.9	0	0	0	112.7	N16 I20 N21 E22	N16-L18 CarbonylContact O-C 3.56Å; N16-L18 PolarHBondContact O-N 3.47Å; N16-L18 WeakPolarHBondContact OD1-CB 3.5Å; N16-L18 WeakPolarHBondContact OD1-CG 3.08Å; N16-L18 PolarHBondContact OD1-N 3.5Å; L18-I20 VanDerWaalsContact C-N 3.28Å; L18-I20 PolarHBondContact O-N 3.1Å; L18-N21 CarbonylContact O-C 3.55Å; L18-N21 WeakPolarHBondContact O-CA 3.27Å; L18-N21 WeakPolarHBondContact O-CB 3.25Å; L18-N21 PolarHBondContact O-N 3.5Å; L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 3.32Å
19	E	78.7	Confident	71.5	Confident	96 Å²	96	103.3 Å²	103.3	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-59	-38.4	178	-173.6	-173.7	-164.7	0	0	111.8	N16 N21 E22 T23	N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 WeakPolarHBondContact O-CA 3.3Å; N16-E19 WeakPolarHBondContact O-CB 3.49Å; N16-E19 PolarHBondContact O-N 3.35Å; E19-N21 VanDerWaalsContact C-N 3.32Å; E19-N21 PolarHBondContact O-N 2.82Å; E19-E22 PolarHBondContact O-N 3.35Å; E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 WeakPolarHBondContact O-CG2 3.5Å; E19-T23 PolarHBondContact O-N 3.37Å; E19-T23 PolarHBondContact O-OG1 3.47Å
20	I	80.2	Confident	73.5	Confident	73 Å²	73	105.5 Å²	105.5	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-64.3	-37.3	172.7	-61.9	172.5	0	0	0	110.7	M15 N16 L18 T23 L24	M15-I20 HydrophobicContact CB-CD1 4.1Å; M15-I20 HydrophobicContact CB-CG1 4.01Å; N16-I20 PolarHBondContact O-N 3.05Å; L18-I20 VanDerWaalsContact C-N 3.28Å; L18-I20 PolarHBondContact O-N 3.1Å; I20-T23 PolarHBondContact O-OG1 2.62Å; I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.39Å; I20-L24 VanDerWaalsContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CB 3.34Å; I20-L24 WeakPolarHBondContact O-CD1 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.65Å; I20-L24 VanDerWaalsContact O-N 3.12Å
21	N	79.4	Confident	75.3	Confident	70 Å²	70	108.5 Å²	108.5	37%	0.374	55%	0.55	S	S	.	*	H	α-helix	trans	-66.5	-44.8	173.6	-123.6	-82.1	0	0	0	111.8	I17 L18 E19 L24 R25	I17-N21 PolarHBondContact O-N 2.96Å; I17-N21 VanDerWaalsContact O-N 3.16Å; L18-N21 CarbonylContact O-C 3.55Å; L18-N21 WeakPolarHBondContact O-CA 3.27Å; L18-N21 WeakPolarHBondContact O-CB 3.25Å; L18-N21 PolarHBondContact O-N 3.5Å; E19-N21 VanDerWaalsContact C-N 3.32Å; E19-N21 PolarHBondContact O-N 2.82Å; N21-L24 PolarHBondContact O-N 3.31Å; N21-R25 WeakPolarHBondContact O-CB 3.3Å; N21-R25 VanDerWaalsContact O-CG 3.28Å; N21-R25 WeakPolarHBondContact O-CG 3.46Å; N21-R25 PolarHBondContact O-N 3.16Å; N21-R25 PolarHBondContact OD1-NE 3.34Å; N21-R25 PolarHBondContact OD1-NH2 2.94Å; N21-R25 VanDerWaalsContact OD1-NH2 3.08Å
22	E	80.6	Confident	77.3	Confident	141 Å²	141	106.1 Å²	106.1	66%	0.659	54%	0.537	S	S	*	.	H	α-helix	trans	-67.6	-37.1	-177.9	-72	-177.7	173.3	0	0	112.5	L18 E19 P26	L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 3.32Å; E19-E22 PolarHBondContact O-N 3.35Å; E22-P26 WeakPolarHBondContact O-CD 3.35Å; E22-P26 WeakPolarHBondContact O-CG 3.44Å
23	T	87	Confident	79.1	Confident	75 Å²	75	104.1 Å²	104.1	46%	0.46	53%	0.53	S	S	.	.	H	α-helix	trans	-76.8	-31	175.2	53.2	0	0	0	0	113.1	E19 I20 Q27	E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 WeakPolarHBondContact O-CG2 3.5Å; E19-T23 PolarHBondContact O-N 3.37Å; E19-T23 PolarHBondContact O-OG1 3.47Å; I20-T23 PolarHBondContact O-OG1 2.62Å; T23-Q27 WeakPolarHBondContact O-CG 3.41Å; T23-Q27 PolarHBondContact O-NE2 2.68Å
24	L	83.1	Confident	80.9	Confident	96 Å²	96	104.7 Å²	104.7	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-81.3	-31.7	179	-72.4	175.9	0	0	0	114.1	I20 N21 Q27 L28	I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.39Å; I20-L24 VanDerWaalsContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CB 3.34Å; I20-L24 WeakPolarHBondContact O-CD1 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.65Å; I20-L24 VanDerWaalsContact O-N 3.12Å; N21-L24 PolarHBondContact O-N 3.31Å; L24-Q27 PolarHBondContact O-N 3.15Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 PolarHBondContact O-N 3.29Å
25	R	85.6	Confident	82.4	Confident	176 Å²	176	104.5 Å²	104.5	66%	0.664	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-46.3	-178.2	-80.1	176.8	-171.9	-138.7	4.4	113.8	N21 L28 A29	N21-R25 WeakPolarHBondContact O-CB 3.3Å; N21-R25 VanDerWaalsContact O-CG 3.28Å; N21-R25 WeakPolarHBondContact O-CG 3.46Å; N21-R25 PolarHBondContact O-N 3.16Å; N21-R25 PolarHBondContact OD1-NE 3.34Å; N21-R25 PolarHBondContact OD1-NH2 2.94Å; N21-R25 VanDerWaalsContact OD1-NH2 3.08Å; R25-L28 PolarHBondContact O-N 3.08Å; R25-A29 PolarHBondContact O-N 3.04Å
26	P	82.8	Confident	83.7	Confident	72 Å²	72	106.7 Å²	106.7	47%	0.468	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-46.7	173	-24.5	34.8	0	0	0	112.1	E22 L28 A29 E30	E22-P26 WeakPolarHBondContact O-CD 3.35Å; E22-P26 WeakPolarHBondContact O-CG 3.44Å; P26-L28 VanDerWaalsContact C-N 3.31Å; P26-L28 PolarHBondContact O-N 3.22Å; P26-A29 WeakPolarHBondContact O-CA 3.32Å; P26-A29 WeakPolarHBondContact O-CB 3.32Å; P26-A29 PolarHBondContact O-N 3.02Å; P26-E30 PolarHBondContact O-N 3.37Å
27	Q	88.5	Confident	84.5	Confident	108 Å²	108	105.7 Å²	105.7	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-40.9	178.2	-67.6	-178.7	60.8	0	0	111.9	T23 L24 E30 K31	T23-Q27 WeakPolarHBondContact O-CG 3.41Å; T23-Q27 PolarHBondContact O-NE2 2.68Å; L24-Q27 PolarHBondContact O-N 3.15Å; Q27-E30 PolarHBondContact O-N 3.32Å; Q27-K31 VanDerWaalsContact O-CG 3.22Å; Q27-K31 WeakPolarHBondContact O-CG 3.29Å; Q27-K31 PolarHBondContact O-N 3.15Å
28	L	87.8	Confident	85.3	Confident	95 Å²	95	105 Å²	105	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-37.1	175	-177.3	60.3	0	0	0	112.1	L24 R25 P26 K32	L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 PolarHBondContact O-N 3.29Å; R25-L28 PolarHBondContact O-N 3.08Å; P26-L28 VanDerWaalsContact C-N 3.31Å; P26-L28 PolarHBondContact O-N 3.22Å; L28-K32 HydrophobicContact CD1-CD 4.47Å; L28-K32 HydrophobicContact CG-CD 4.27Å; L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 VanDerWaalsContact O-CG 3.23Å; L28-K32 WeakPolarHBondContact O-CG 3.41Å; L28-K32 PolarHBondContact O-N 3.3Å
29	A	88.9	Confident	86.2	Confident	56 Å²	56	105.1 Å²	105.1	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-46.3	174.5	0	0	0	0	0	111.6	R25 P26 K32 Q33	R25-A29 PolarHBondContact O-N 3.04Å; P26-A29 WeakPolarHBondContact O-CA 3.32Å; P26-A29 WeakPolarHBondContact O-CB 3.32Å; P26-A29 PolarHBondContact O-N 3.02Å; A29-K32 CarbonylContact O-C 3.58Å; A29-K32 WeakPolarHBondContact O-CB 3.4Å; A29-K32 PolarHBondContact O-N 3.38Å; A29-Q33 PolarHBondContact O-N 3.28Å
30	E	90.1	Very high	86.5	Confident	111 Å²	111	105 Å²	105	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-58.1	-49.3	174.5	-74.1	-169.5	-179.8	0	0	111.9	P26 Q27 K32 Q33 Q34	P26-E30 PolarHBondContact O-N 3.37Å; Q27-E30 PolarHBondContact O-N 3.32Å; E30-K32 VanDerWaalsContact C-N 3.3Å; E30-K32 PolarHBondContact O-N 2.94Å; E30-Q33 CarbonylContact O-C 3.55Å; E30-Q33 WeakPolarHBondContact O-CA 3.29Å; E30-Q33 WeakPolarHBondContact O-CB 3.28Å; E30-Q33 PolarHBondContact O-N 3.41Å; E30-Q34 WeakPolarHBondContact O-CG 3.33Å; E30-Q34 PolarHBondContact O-N 2.9Å
31	K	91.2	Very high	86.8	Confident	134 Å²	134	108.1 Å²	108.1	58%	0.583	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-40.5	178	-66.8	-71.5	178.4	-177	0	111.4	Q27 Q33 Q34 F35	Q27-K31 VanDerWaalsContact O-CG 3.22Å; Q27-K31 WeakPolarHBondContact O-CG 3.29Å; Q27-K31 PolarHBondContact O-N 3.15Å; K31-Q33 VanDerWaalsContact C-N 3.29Å; K31-Q33 PolarHBondContact O-N 3.45Å; K31-Q34 PolarHBondContact O-N 3.47Å; K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 2.75Å
32	K	92.1	Very high	87	Confident	112 Å²	112	107.8 Å²	107.8	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-26.6	173.1	-74.6	171.4	179.1	176.1	0	113.1	L28 A29 E30 R36	L28-K32 HydrophobicContact CD1-CD 4.47Å; L28-K32 HydrophobicContact CG-CD 4.27Å; L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 VanDerWaalsContact O-CG 3.23Å; L28-K32 WeakPolarHBondContact O-CG 3.41Å; L28-K32 PolarHBondContact O-N 3.3Å; A29-K32 CarbonylContact O-C 3.58Å; A29-K32 WeakPolarHBondContact O-CB 3.4Å; A29-K32 PolarHBondContact O-N 3.38Å; E30-K32 VanDerWaalsContact C-N 3.3Å; E30-K32 PolarHBondContact O-N 2.94Å; K32-R36 WeakPolarHBondContact O-CG 3.33Å; K32-R36 PolarHBondContact O-NE 3.47Å
33	Q	89.3	Confident	86.8	Confident	116 Å²	116	106.4 Å²	106.4	54%	0.542	51%	0.511	S	S	.	.	H	α-helix	trans	-82.4	-43.9	174.2	-169.4	177.4	3.3	0	0	111.8	A29 E30 K31 F35 R36 N37	A29-Q33 PolarHBondContact O-N 3.28Å; E30-Q33 CarbonylContact O-C 3.55Å; E30-Q33 WeakPolarHBondContact O-CA 3.29Å; E30-Q33 WeakPolarHBondContact O-CB 3.28Å; E30-Q33 PolarHBondContact O-N 3.41Å; K31-Q33 VanDerWaalsContact C-N 3.29Å; K31-Q33 PolarHBondContact O-N 3.45Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.45Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact O-N 3.12Å; Q33-N37 WeakPolarHBondContact O-CB 3.26Å; Q33-N37 VanDerWaalsContact O-CG 3.26Å; Q33-N37 PolarHBondContact O-N 3.23Å; Q33-N37 PolarHBondContact O-OD1 2.96Å
34	Q	91.3	Very high	86.5	Confident	103 Å²	103	108.3 Å²	108.3	48%	0.481	52%	0.518	S	S	.	.	H	α-helix	trans	-56.2	-44.2	174.5	-71	173.8	12.2	0	0	111.2	E30 K31 N37 L38	E30-Q34 WeakPolarHBondContact O-CG 3.33Å; E30-Q34 PolarHBondContact O-N 2.9Å; K31-Q34 PolarHBondContact O-N 3.47Å; Q34-N37 PolarHBondContact O-N 3Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 2.81Å
35	F	86.6	Confident	86.3	Confident	139 Å²	139	108.4 Å²	108.4	61%	0.61	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-40.6	175.6	-175.6	-102	0	0	0	113	K31 Q33 L38 K39	K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 2.75Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.45Å; F35-L38 PolarHBondContact O-N 3.22Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.35Å
36	R	85.6	Confident	85.9	Confident	129 Å²	129	105.7 Å²	105.7	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-48.1	175.2	-78.1	-176.5	-95.3	-150.7	8.9	111.4	K32 Q33 L38 K39 E40	K32-R36 WeakPolarHBondContact O-CG 3.33Å; K32-R36 PolarHBondContact O-NE 3.47Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact O-N 3.12Å; R36-L38 VanDerWaalsContact C-N 3.3Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-K39 WeakPolarHBondContact O-CB 3.44Å; R36-K39 PolarHBondContact O-N 2.97Å; R36-E40 WeakPolarHBondContact O-CG 3.5Å; R36-E40 PolarHBondContact O-N 3.38Å
37	N	88.5	Confident	85.6	Confident	70 Å²	70	104.3 Å²	104.3	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-59.1	-38.8	175.8	-67.2	-10	0	0	0	112.2	Q33 Q34 K41	Q33-N37 WeakPolarHBondContact O-CB 3.26Å; Q33-N37 VanDerWaalsContact O-CG 3.26Å; Q33-N37 PolarHBondContact O-N 3.23Å; Q33-N37 PolarHBondContact O-OD1 2.96Å; Q34-N37 PolarHBondContact O-N 3Å; N37-K41 WeakPolarHBondContact O-CB 3.41Å; N37-K41 VanDerWaalsContact O-CG 3.25Å; N37-K41 WeakPolarHBondContact O-CG 3.32Å; N37-K41 PolarHBondContact O-N 3.46Å
38	L	85.9	Confident	85.2	Confident	119 Å²	119	102 Å²	102	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-69	-41.6	176.5	-177.2	61.5	0	0	0	111.9	Q34 F35 R36 K41 C42	Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 2.81Å; F35-L38 PolarHBondContact O-N 3.22Å; R36-L38 VanDerWaalsContact C-N 3.3Å; R36-L38 PolarHBondContact O-N 3.32Å; L38-K41 PolarHBondContact O-N 2.92Å; L38-C42 VanDerWaalsContact O-CB 3.31Å; L38-C42 WeakPolarHBondContact O-CB 3.5Å; L38-C42 PolarHBondContact O-N 2.94Å
39	K	88.1	Confident	84.6	Confident	117 Å²	117	99 Å²	99	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-44.7	175.7	-174.4	173.9	-179.3	179.6	0	111.5	F35 R36 C42 F43	F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.35Å; R36-K39 WeakPolarHBondContact O-CB 3.44Å; R36-K39 PolarHBondContact O-N 2.97Å; K39-C42 PolarHBondContact O-N 2.9Å; K39-F43 HydrophobicContact CD-CE2 4.41Å; K39-F43 HydrophobicContact CG-CD2 4.14Å; K39-F43 HydrophobicContact CG-CE2 3.73Å; K39-F43 WeakPolarHBondContact O-CD2 3.42Å; K39-F43 PolarHBondContact O-N 3.48Å; K39-F43 VanDerWaalsContact O-N 3.09Å
40	E	83.4	Confident	83.8	Confident	92 Å²	92	100 Å²	100	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-45.3	176.9	-70.6	174.2	-171.3	0	0	112	R36 C42 F43 L44	R36-E40 WeakPolarHBondContact O-CG 3.5Å; R36-E40 PolarHBondContact O-N 3.38Å; E40-C42 VanDerWaalsContact C-N 3.32Å; E40-C42 PolarHBondContact O-N 3.2Å; E40-F43 PolarHBondContact O-N 2.93Å; E40-L44 WeakPolarHBondContact O-CG 3.36Å; E40-L44 PolarHBondContact O-N 2.92Å
41	K	87.3	Confident	82.9	Confident	139 Å²	139	99 Å²	99	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-59.9	-38.9	173.4	-75.3	174.2	-179.1	-176.8	0	112.7	N37 L38 L44 T45	N37-K41 WeakPolarHBondContact O-CB 3.41Å; N37-K41 VanDerWaalsContact O-CG 3.25Å; N37-K41 WeakPolarHBondContact O-CG 3.32Å; N37-K41 PolarHBondContact O-N 3.46Å; L38-K41 PolarHBondContact O-N 2.92Å; K41-L44 PolarHBondContact O-N 2.89Å; K41-T45 WeakPolarHBondContact O-CB 3.31Å; K41-T45 PolarHBondContact O-N 3.5Å; K41-T45 PolarHBondContact O-OG1 3.49Å
42	C	82.4	Confident	81.9	Confident	63 Å²	63	95.4 Å²	95.4	43%	0.426	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-48	176.2	-173.1	0	0	0	0	111.3	L38 K39 E40 T45 Q46	L38-C42 VanDerWaalsContact O-CB 3.31Å; L38-C42 WeakPolarHBondContact O-CB 3.5Å; L38-C42 PolarHBondContact O-N 2.94Å; K39-C42 PolarHBondContact O-N 2.9Å; E40-C42 VanDerWaalsContact C-N 3.32Å; E40-C42 PolarHBondContact O-N 3.2Å; C42-T45 PolarHBondContact O-N 2.97Å; C42-Q46 WeakPolarHBondContact O-CG 3.35Å; C42-Q46 PolarHBondContact O-N 3.32Å
43	F	76.6	Confident	80.6	Confident	112 Å²	112	96.3 Å²	96.3	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-46.5	175.4	-74.7	-57	0	0	0	112.5	K39 E40 T45 Q46 L47	K39-F43 HydrophobicContact CD-CE2 4.41Å; K39-F43 HydrophobicContact CG-CD2 4.14Å; K39-F43 HydrophobicContact CG-CE2 3.73Å; K39-F43 WeakPolarHBondContact O-CD2 3.42Å; K39-F43 PolarHBondContact O-N 3.48Å; K39-F43 VanDerWaalsContact O-N 3.09Å; E40-F43 PolarHBondContact O-N 2.93Å; F43-T45 PolarHBondContact O-N 2.8Å; F43-Q46 PolarHBondContact O-N 3.23Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 3.28Å
44	L	81.1	Confident	79.2	Confident	116 Å²	116	94.3 Å²	94.3	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-58	-37.2	176	-70.5	171.6	0	0	0	112.4	E40 K41 L47 A48	E40-L44 WeakPolarHBondContact O-CG 3.36Å; E40-L44 PolarHBondContact O-N 2.92Å; K41-L44 PolarHBondContact O-N 2.89Å; L44-L47 PolarHBondContact O-N 3.4Å; L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.92Å
45	T	78.5	Confident	77.6	Confident	98 Å²	98	98 Å²	98	60%	0.601	50%	0.499	S	S	*	.	H	α-helix	trans	-69.2	-42.8	176.4	-54.4	0	0	0	0	112	K41 C42 F43 L47 A48 G49	K41-T45 WeakPolarHBondContact O-CB 3.31Å; K41-T45 PolarHBondContact O-N 3.5Å; K41-T45 PolarHBondContact O-OG1 3.49Å; C42-T45 PolarHBondContact O-N 2.97Å; F43-T45 PolarHBondContact O-N 2.8Å; T45-L47 VanDerWaalsContact C-N 3.3Å; T45-L47 PolarHBondContact O-N 3.4Å; T45-A48 PolarHBondContact O-N 2.9Å; T45-G49 PolarHBondContact O-N 3.24Å
46	Q	78.5	Confident	76.2	Confident	118 Å²	118	100.1 Å²	100.1	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-60.9	-39.8	174.4	-70.5	177.1	16.5	0	0	111.7	C42 F43 G49 F50	C42-Q46 WeakPolarHBondContact O-CG 3.35Å; C42-Q46 PolarHBondContact O-N 3.32Å; F43-Q46 PolarHBondContact O-N 3.23Å; Q46-G49 PolarHBondContact O-N 3.42Å; Q46-F50 WeakPolarHBondContact O-CB 3.48Å; Q46-F50 PolarHBondContact O-N 3.13Å
47	L	75.5	Confident	74.6	Confident	43 Å²	43	102.7 Å²	102.7	23%	0.225	52%	0.523	C	S	.	.	H	α-helix	trans	-66.7	-45.1	177	-66.3	166.5	0	0	0	112.1	F43 L44 T45 G49 F50 L51 M70	F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 3.28Å; L44-L47 PolarHBondContact O-N 3.4Å; T45-L47 VanDerWaalsContact C-N 3.3Å; T45-L47 PolarHBondContact O-N 3.4Å; L47-G49 VanDerWaalsContact C-N 3.33Å; L47-G49 PolarHBondContact O-N 2.75Å; L47-F50 PolarHBondContact O-N 3.36Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.33Å; L47-M70 HydrophobicContact CD1-CE 3.4Å; L47-M70 HydrophobicContact CD1-SD 4.4Å; L47-M70 HydrophobicContact CD2-CE 3.49Å; L47-M70 VanDerWaalsContact CD2-CE 3.49Å; L47-M70 HydrophobicContact CD2-SD 3.33Å; L47-M70 WeakPolarHBondContact CD2-SD 3.44Å; L47-M70 HydrophobicContact CG-CE 4.07Å; L47-M70 HydrophobicContact CG-SD 4.49Å
48	A	80	Confident	72.6	Confident	59 Å²	59	110.3 Å²	110.3	49%	0.488	55%	0.548	S	S	.	.	H	α-helix	trans	-58.1	-45.4	174.2	0	0	0	0	0	111.3	L44 T45 L51 A52	L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.92Å; T45-A48 PolarHBondContact O-N 2.9Å; A48-L51 PolarHBondContact O-N 3.47Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.88Å
49	G	76.3	Confident	71.4	Confident	33 Å²	33	111 Å²	111	34%	0.34	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-42.8	175.2	0	0	0	0	0	113.6	T45 Q46 L47 N53	T45-G49 PolarHBondContact O-N 3.24Å; Q46-G49 PolarHBondContact O-N 3.42Å; L47-G49 VanDerWaalsContact C-N 3.33Å; L47-G49 PolarHBondContact O-N 2.75Å; G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 2.86Å; G49-N53 PolarHBondContact O-ND2 3.29Å
50	F	71.5	Confident	70	Confident	76 Å²	76	113.2 Å²	113.2	33%	0.333	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-43.7	178.1	-170.8	-94.3	0	0	0	112.3	Q46 L47 R54 L66	Q46-F50 WeakPolarHBondContact O-CB 3.48Å; Q46-F50 PolarHBondContact O-N 3.13Å; L47-F50 PolarHBondContact O-N 3.36Å; F50-R54 VanDerWaalsContact CE1-CD 3.47Å; F50-R54 HydrophobicContact CE1-CG 4.45Å; F50-R54 VanDerWaalsContact CZ-NE 3.3Å; F50-R54 WeakPolarHBondContact O-CB 3.36Å; F50-R54 WeakPolarHBondContact O-CG 3.42Å; F50-R54 PolarHBondContact O-N 3.42Å; F50-L66 HydrophobicContact CD1-CD2 3.51Å; F50-L66 HydrophobicContact CE1-CD2 3.27Å; F50-L66 HydrophobicContact CE2-CD2 4.44Å; F50-L66 HydrophobicContact CG-CD2 4.19Å; F50-L66 HydrophobicContact CZ-CD2 3.78Å
51	L	70.8	Confident	69.3	Low	92 Å²	92	114 Å²	114	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-44.2	177.3	-69.2	170.4	0	0	0	111.8	L47 A48 N53 R54 Q55	L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 VanDerWaalsContact O-CG 3.3Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.33Å; A48-L51 PolarHBondContact O-N 3.47Å; L51-N53 PolarHBondContact O-N 3.02Å; L51-R54 PolarHBondContact O-N 3.33Å; L51-Q55 PolarHBondContact O-N 2.86Å
52	A	70.9	Confident	68.4	Low	57 Å²	57	111.4 Å²	111.4	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-41.3	177	0	0	0	0	0	112.3	A48	A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.88Å
53	N	63.7	Low	67.6	Low	131 Å²	131	109.2 Å²	109.2	70%	0.701	53%	0.531	S	S	*	.	H	α-helix	trans	-66.3	-35.9	174.6	-78.5	-30.9	0	0	0	112.4	G49 L51	G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 2.86Å; G49-N53 PolarHBondContact O-ND2 3.29Å; L51-N53 PolarHBondContact O-N 3.02Å
54	R	60.6	Low	67.8	Low	75 Å²	75	107 Å²	107	28%	0.283	52%	0.521	S	S	.	.	H	α-helix	trans	-80.8	-22.4	-178.5	-77.7	-167.6	164.5	-161.3	-14.4	115.6	F50 L51 K56 K57 E62 C63	F50-R54 VanDerWaalsContact CE1-CD 3.47Å; F50-R54 HydrophobicContact CE1-CG 4.45Å; F50-R54 VanDerWaalsContact CZ-NE 3.3Å; F50-R54 WeakPolarHBondContact O-CB 3.36Å; F50-R54 WeakPolarHBondContact O-CG 3.42Å; F50-R54 PolarHBondContact O-N 3.42Å; L51-R54 PolarHBondContact O-N 3.33Å; R54-K56 PolarHBondContact O-N 3.38Å; R54-K57 PolarHBondContact O-N 2.88Å; R54-K57 VanDerWaalsContact O-O 3.09Å; R54-E62 IonicContact CZ-OE2 2.79Å; R54-E62 PolarHBondContact NH1-O 3.16Å; R54-E62 IonicContact NH1-OE2 3.65Å; R54-E62 IonicContact NH2-OE2 3.91Å; R54-E62 PolarHBondContact NH2-OE2 2.96Å; R54-C63 WeakPolarHBondContact CD-SG 3.33Å; R54-C63 PolarHBondContact NH1-SG 3.23Å; R54-C63 VanDerWaalsContact NH1-SG 3.45Å
55	Q	58.1	Low	67.9	Low	179 Å²	179	105.7 Å²	105.7	84%	0.836	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.5	172.6	-79.9	-171.2	-8.1	0	0	113.4	L51	L51-Q55 PolarHBondContact O-N 2.86Å
56	K	57.9	Low	68.1	Low	185 Å²	185	103.5 Å²	103.5	80%	0.804	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.2	-179.7	-67.8	-176.5	178.3	176.3	0	115.5	R54	R54-K56 PolarHBondContact O-N 3.38Å
57	K	51.1	Low	68.4	Low	183 Å²	183	101.4 Å²	101.4	80%	0.796	49%	0.491	S	S	*	.	S	Bend	trans	-155.5	135.9	176.6	-110	167.8	-173.2	176.4	0	113.6	R54 K59	R54-K57 PolarHBondContact O-N 2.88Å; R54-K57 VanDerWaalsContact O-O 3.09Å; K57-K59 PolarHBondContact O-N 3.08Å
58	Y	47.2	Very low	69	Low	229 Å²	229	105.2 Å²	105.2	90%	0.898	51%	0.505	S	S	*	.			trans	-41.1	121.2	178.5	-72.3	-100.4	0	0	0	115.1
59	K	60.6	Low	69.2	Low	133 Å²	133	108 Å²	108	58%	0.578	51%	0.507	S	S	*	.				172.2	98.3	128.6	-93.9	172.5	-177.8	176.8	0	110.2	K57 E61 E62	K57-K59 PolarHBondContact O-N 3.08Å; K59-E61 VanDerWaalsContact C-N 3.25Å; K59-E61 PolarHBondContact O-N 2.96Å; K59-E62 HydrophobicContact CB-CG 4.37Å; K59-E62 HydrophobicContact CD-CG 4.17Å; K59-E62 WeakPolarHBondContact CD-OE1 3.35Å; K59-E62 WeakPolarHBondContact CE-OE1 3.34Å; K59-E62 IonicContact NZ-OE1 2.78Å; K59-E62 PolarHBondContact NZ-OE1 2.81Å
60	Y	57.8	Low	69.6	Low	165 Å²	165	109.2 Å²	109.2	65%	0.647	51%	0.505	S	S	*	.	S	Bend	trans	-64.1	-30.6	176.8	-176.7	-128.2	0	0	0	112.5	E62 C63 K64	Y60-E62 PolarHBondContact O-N 2.85Å; Y60-C63 WeakPolarHBondContact O-CA 3.39Å; Y60-C63 WeakPolarHBondContact O-CB 3.42Å; Y60-C63 PolarHBondContact O-N 3.36Å; Y60-K64 HydrophobicContact CD1-CD 4.46Å; Y60-K64 VanDerWaalsContact CD1-CE 3.42Å; Y60-K64 HydrophobicContact CD1-CG 4.44Å; Y60-K64 HydrophobicContact CE1-CD 4.42Å; Y60-K64 HydrophobicContact CE1-CG 4.28Å; Y60-K64 PolarHBondContact O-N 2.82Å
61	E	68.2	Low	70.3	Confident	109 Å²	109	110.9 Å²	110.9	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-57.7	-47.6	179.9	-127.8	56.9	-149.9	0	0	113.4	K59 C63 K64 D65	K59-E61 VanDerWaalsContact C-N 3.25Å; K59-E61 PolarHBondContact O-N 2.96Å; E61-C63 PolarHBondContact O-N 3.35Å; E61-C63 VanDerWaalsContact O-N 3.15Å; E61-K64 WeakPolarHBondContact O-CB 3.18Å; E61-K64 PolarHBondContact O-N 2.7Å; E61-K64 WeakPolarHBondContact OE1-CD 3.31Å; E61-K64 IonicContact OE1-NZ 2.69Å; E61-K64 PolarHBondContact OE1-NZ 3.34Å; E61-K64 IonicContact OE2-NZ 2.75Å; E61-K64 PolarHBondContact OE2-NZ 3.38Å; E61-D65 PolarHBondContact O-N 3.41Å
62	E	68.5	Low	71.1	Confident	84 Å²	84	114.2 Å²	114.2	39%	0.393	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-14.8	177.5	-63	178.7	-159.1	0	0	112.7	R54 K59 Y60	R54-E62 IonicContact CZ-OE2 2.79Å; R54-E62 PolarHBondContact NH1-O 3.16Å; R54-E62 IonicContact NH1-OE2 3.65Å; R54-E62 IonicContact NH2-OE2 3.91Å; R54-E62 PolarHBondContact NH2-OE2 2.96Å; K59-E62 HydrophobicContact CB-CG 4.37Å; K59-E62 HydrophobicContact CD-CG 4.17Å; K59-E62 WeakPolarHBondContact CD-OE1 3.35Å; K59-E62 WeakPolarHBondContact CE-OE1 3.34Å; K59-E62 IonicContact NZ-OE1 2.78Å; K59-E62 PolarHBondContact NZ-OE1 2.81Å; Y60-E62 PolarHBondContact O-N 2.85Å
63	C	67	Low	71.8	Confident	17 Å²	17	114.4 Å²	114.4	12%	0.115	52%	0.515	C	S	.	.	H	α-helix	trans	-86.4	-34.5	171.4	-59.4	0	0	0	0	111.5	R54 Y60 E61 D65 L66 I67	R54-C63 WeakPolarHBondContact CD-SG 3.33Å; R54-C63 PolarHBondContact NH1-SG 3.23Å; R54-C63 VanDerWaalsContact NH1-SG 3.45Å; Y60-C63 WeakPolarHBondContact O-CA 3.39Å; Y60-C63 WeakPolarHBondContact O-CB 3.42Å; Y60-C63 PolarHBondContact O-N 3.36Å; E61-C63 PolarHBondContact O-N 3.35Å; E61-C63 VanDerWaalsContact O-N 3.15Å; C63-D65 VanDerWaalsContact C-N 3.27Å; C63-D65 PolarHBondContact O-N 2.66Å; C63-L66 PolarHBondContact O-N 2.86Å; C63-I67 WeakPolarHBondContact O-CB 3.31Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.26Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 2.96Å
64	K	80.8	Confident	73	Confident	65 Å²	65	112.6 Å²	112.6	28%	0.283	50%	0.503	S	S	.	.	H	α-helix	trans	-56.6	-43.1	174.3	-67.7	173.5	-179.5	160.1	0	111.2	Y60 E61 I67 K68	Y60-K64 HydrophobicContact CD1-CD 4.46Å; Y60-K64 VanDerWaalsContact CD1-CE 3.42Å; Y60-K64 HydrophobicContact CD1-CG 4.44Å; Y60-K64 HydrophobicContact CE1-CD 4.42Å; Y60-K64 HydrophobicContact CE1-CG 4.28Å; Y60-K64 PolarHBondContact O-N 2.82Å; E61-K64 WeakPolarHBondContact O-CB 3.18Å; E61-K64 PolarHBondContact O-N 2.7Å; E61-K64 WeakPolarHBondContact OE1-CD 3.31Å; E61-K64 IonicContact OE1-NZ 2.69Å; E61-K64 PolarHBondContact OE1-NZ 3.34Å; E61-K64 IonicContact OE2-NZ 2.75Å; E61-K64 PolarHBondContact OE2-NZ 3.38Å; K64-I67 PolarHBondContact O-N 3.13Å; K64-K68 VanDerWaalsContact O-CG 3.28Å; K64-K68 WeakPolarHBondContact O-CG 3.47Å; K64-K68 PolarHBondContact O-N 2.91Å
65	D	82.6	Confident	74.2	Confident	88 Å²	88	117 Å²	117	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-74.1	-33.6	-176.2	-67	-27.2	0	0	0	112.9	E61 C63 K68 F69	E61-D65 PolarHBondContact O-N 3.41Å; C63-D65 VanDerWaalsContact C-N 3.27Å; C63-D65 PolarHBondContact O-N 2.66Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 WeakPolarHBondContact OD1-CD 3.33Å; D65-K68 WeakPolarHBondContact OD1-CE 3.47Å; D65-K68 IonicContact OD1-NZ 2.97Å; D65-K68 PolarHBondContact OD1-NZ 2.9Å; D65-F69 WeakPolarHBondContact O-CB 3.47Å; D65-F69 PolarHBondContact O-N 3.2Å
66	L	82.9	Confident	75.6	Confident	53 Å²	53	113.2 Å²	113.2	28%	0.277	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-45.8	167.3	179.2	61.9	0	0	0	111.2	F50 C63 K68 F69 M70	F50-L66 HydrophobicContact CD1-CD2 3.51Å; F50-L66 HydrophobicContact CE1-CD2 3.27Å; F50-L66 HydrophobicContact CE2-CD2 4.44Å; F50-L66 HydrophobicContact CG-CD2 4.19Å; F50-L66 HydrophobicContact CZ-CD2 3.78Å; C63-L66 PolarHBondContact O-N 2.86Å; L66-K68 PolarHBondContact O-N 2.91Å; L66-F69 HydrophobicContact CD1-CD1 4.43Å; L66-F69 WeakPolarHBondContact O-CB 3.45Å; L66-F69 PolarHBondContact O-N 2.95Å; L66-M70 HydrophobicContact CD1-CG 4.35Å; L66-M70 HydrophobicContact CD1-SD 4.45Å; L66-M70 HydrophobicContact CG-CG 4.47Å; L66-M70 HydrophobicContact CG-SD 4.03Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 2.89Å
67	I	84.6	Confident	76.8	Confident	74 Å²	74	108.1 Å²	108.1	38%	0.379	48%	0.48	S	S	.	.	H	α-helix	trans	-63.1	-41.7	178.8	-68.3	164	0	0	0	111	C63 K64 M70 L71	C63-I67 WeakPolarHBondContact O-CB 3.31Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.26Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 2.96Å; K64-I67 PolarHBondContact O-N 3.13Å; I67-M70 PolarHBondContact O-N 3.23Å; I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 2.97Å
68	K	87.9	Confident	78.7	Confident	122 Å²	122	104.8 Å²	104.8	53%	0.53	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-44.7	172.6	-71.2	170	-161.4	162.7	0	112	K64 D65 L66 L71 R72	K64-K68 VanDerWaalsContact O-CG 3.28Å; K64-K68 WeakPolarHBondContact O-CG 3.47Å; K64-K68 PolarHBondContact O-N 2.91Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 WeakPolarHBondContact OD1-CD 3.33Å; D65-K68 WeakPolarHBondContact OD1-CE 3.47Å; D65-K68 IonicContact OD1-NZ 2.97Å; D65-K68 PolarHBondContact OD1-NZ 2.9Å; L66-K68 PolarHBondContact O-N 2.91Å; K68-L71 PolarHBondContact O-N 2.74Å; K68-R72 WeakPolarHBondContact O-CB 3.39Å; K68-R72 PolarHBondContact O-N 3.17Å
69	F	84.2	Confident	80.7	Confident	117 Å²	117	98.8 Å²	98.8	51%	0.513	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.6	176.2	-114.8	0	0	0	111.1	D65 L66 R72 N73	D65-F69 WeakPolarHBondContact O-CB 3.47Å; D65-F69 PolarHBondContact O-N 3.2Å; L66-F69 HydrophobicContact CD1-CD1 4.43Å; L66-F69 WeakPolarHBondContact O-CB 3.45Å; L66-F69 PolarHBondContact O-N 2.95Å; F69-R72 WeakPolarHBondContact O-CB 3.17Å; F69-R72 PolarHBondContact O-N 3.33Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.21Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.24Å; F69-N73 PolarHBondContact O-N 2.85Å; F69-N73 PolarHBondContact O-ND2 3.43Å; F69-N73 PolarHBondContact O-OD1 3.41Å
70	M	85.5	Confident	82.1	Confident	60 Å²	60	98.6 Å²	98.6	30%	0.296	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-49.4	174.5	-68.5	165	56.9	0	0	112.7	L47 L66 I67 R72 N73 E74	L47-M70 HydrophobicContact CD1-CE 3.4Å; L47-M70 HydrophobicContact CD1-SD 4.4Å; L47-M70 HydrophobicContact CD2-CE 3.49Å; L47-M70 VanDerWaalsContact CD2-CE 3.49Å; L47-M70 HydrophobicContact CD2-SD 3.33Å; L47-M70 WeakPolarHBondContact CD2-SD 3.44Å; L47-M70 HydrophobicContact CG-CE 4.07Å; L47-M70 HydrophobicContact CG-SD 4.49Å; L66-M70 HydrophobicContact CD1-CG 4.35Å; L66-M70 HydrophobicContact CD1-SD 4.45Å; L66-M70 HydrophobicContact CG-CG 4.47Å; L66-M70 HydrophobicContact CG-SD 4.03Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 2.89Å; I67-M70 PolarHBondContact O-N 3.23Å; M70-R72 PolarHBondContact O-N 3.32Å; M70-N73 PolarHBondContact O-N 3.29Å; M70-N73 VanDerWaalsContact O-N 3.08Å; M70-E74 WeakPolarHBondContact O-CB 3.46Å; M70-E74 PolarHBondContact O-N 3.07Å
71	L	84.7	Confident	83.8	Confident	110 Å²	110	94.8 Å²	94.8	58%	0.576	43%	0.433	S	S	*	.	H	α-helix	trans	-61.6	-33.9	179	-71.8	169.3	0	0	0	111.7	I67 K68 R75	I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 2.97Å; K68-L71 PolarHBondContact O-N 2.74Å; L71-R75 WeakPolarHBondContact O-CB 3.47Å; L71-R75 PolarHBondContact O-N 3.05Å
72	R	89.1	Confident	85	Confident	163 Å²	163	94.4 Å²	94.4	62%	0.615	43%	0.434	S	S	*	.	H	α-helix	trans	-66.5	-47	171.1	-174.5	-177	-178.9	-162.9	-0.7	111.6	K68 F69 M70 R75 Q76	K68-R72 WeakPolarHBondContact O-CB 3.39Å; K68-R72 PolarHBondContact O-N 3.17Å; F69-R72 WeakPolarHBondContact O-CB 3.17Å; F69-R72 PolarHBondContact O-N 3.33Å; M70-R72 PolarHBondContact O-N 3.32Å; R72-R75 WeakPolarHBondContact O-CB 3.25Å; R72-R75 PolarHBondContact O-N 3.31Å; R72-Q76 WeakPolarHBondContact O-CG 3.45Å; R72-Q76 PolarHBondContact O-N 2.89Å
73	N	85.8	Confident	86.1	Confident	60 Å²	60	93.2 Å²	93.2	32%	0.321	44%	0.438	S	S	.	.	H	α-helix	trans	-66.1	-39.4	-179.7	-62.9	-9.3	0	0	0	111.8	F69 M70 Q76 F77	F69-N73 WeakPolarHBondContact CE1-ND2 3.21Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.24Å; F69-N73 PolarHBondContact O-N 2.85Å; F69-N73 PolarHBondContact O-ND2 3.43Å; F69-N73 PolarHBondContact O-OD1 3.41Å; M70-N73 PolarHBondContact O-N 3.29Å; M70-N73 VanDerWaalsContact O-N 3.08Å; N73-Q76 PolarHBondContact O-N 3.19Å; N73-F77 WeakPolarHBondContact O-CB 3.36Å; N73-F77 PolarHBondContact O-N 2.72Å
74	E	88.4	Confident	87.4	Confident	94 Å²	94	97.7 Å²	97.7	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-68.7	-36.9	176.5	-163.7	-167.9	134.6	0	0	111.4	M70 K78	M70-E74 WeakPolarHBondContact O-CB 3.46Å; M70-E74 PolarHBondContact O-N 3.07Å; E74-K78 WeakPolarHBondContact O-CG 3.36Å; E74-K78 PolarHBondContact O-N 2.99Å; E74-K78 VanDerWaalsContact OE1-CE 3.27Å; E74-K78 WeakPolarHBondContact OE1-CE 3.22Å; E74-K78 IonicContact OE1-NZ 3.9Å; E74-K78 PolarHBondContact OE1-NZ 3.47Å
75	R	85.8	Confident	88.1	Confident	168 Å²	168	100.2 Å²	100.2	63%	0.634	47%	0.471	S	S	*	.	H	α-helix	trans	-60.2	-49.6	167.2	175.2	-179.5	163.1	161.9	0.5	110.9	L71 R72 F77 K78 E79	L71-R75 WeakPolarHBondContact O-CB 3.47Å; L71-R75 PolarHBondContact O-N 3.05Å; R72-R75 WeakPolarHBondContact O-CB 3.25Å; R72-R75 PolarHBondContact O-N 3.31Å; R75-F77 VanDerWaalsContact C-N 3.31Å; R75-F77 PolarHBondContact O-N 3.25Å; R75-K78 PolarHBondContact O-N 3.06Å; R75-K78 VanDerWaalsContact O-N 3.1Å; R75-E79 IonicContact CZ-OE2 2.63Å; R75-E79 IonicContact NE-OE2 3.6Å; R75-E79 PolarHBondContact NE-OE2 3.33Å; R75-E79 IonicContact NH2-OE2 2.74Å; R75-E79 PolarHBondContact NH2-OE2 3.36Å; R75-E79 WeakPolarHBondContact O-CB 3.32Å; R75-E79 PolarHBondContact O-N 2.86Å
76	Q	87.2	Confident	88.6	Confident	98 Å²	98	102 Å²	102	46%	0.458	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-37.8	-179.9	-73.4	-173.9	-78.7	0	0	112.1	R72 N73 K78 E79 E80	R72-Q76 WeakPolarHBondContact O-CG 3.45Å; R72-Q76 PolarHBondContact O-N 2.89Å; N73-Q76 PolarHBondContact O-N 3.19Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 2.78Å; Q76-E79 PolarHBondContact O-N 3.23Å; Q76-E80 VanDerWaalsContact O-CB 3.22Å; Q76-E80 WeakPolarHBondContact O-CB 3.25Å; Q76-E80 PolarHBondContact O-N 3.5Å
77	F	83.3	Confident	89.2	Confident	79 Å²	79	105.6 Å²	105.6	35%	0.346	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-32.8	173.9	179.4	-129.1	0	0	0	113.2	N73 R75 K81	N73-F77 WeakPolarHBondContact O-CB 3.36Å; N73-F77 PolarHBondContact O-N 2.72Å; R75-F77 VanDerWaalsContact C-N 3.31Å; R75-F77 PolarHBondContact O-N 3.25Å; F77-K81 HydrophobicContact CE1-CD 4.5Å; F77-K81 VanDerWaalsContact CE1-NZ 3.33Å; F77-K81 HydrophobicContact CZ-CD 4.4Å; F77-K81 WeakPolarHBondContact O-CB 3.39Å; F77-K81 WeakPolarHBondContact O-CG 3.4Å; F77-K81 PolarHBondContact O-N 2.95Å; F77-K81 VanDerWaalsContact O-N 3.1Å
78	K	90.1	Very high	89.7	Confident	112 Å²	112	106.6 Å²	106.6	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-72.9	-38.8	171.8	-71.4	168.9	-176.6	173.1	0	111.7	E74 R75 Q76 L82	E74-K78 WeakPolarHBondContact O-CG 3.36Å; E74-K78 PolarHBondContact O-N 2.99Å; E74-K78 VanDerWaalsContact OE1-CE 3.27Å; E74-K78 WeakPolarHBondContact OE1-CE 3.22Å; E74-K78 IonicContact OE1-NZ 3.9Å; E74-K78 PolarHBondContact OE1-NZ 3.47Å; R75-K78 PolarHBondContact O-N 3.06Å; R75-K78 VanDerWaalsContact O-N 3.1Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 2.78Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.21Å
79	E	89.7	Confident	90	Very high	104 Å²	104	102.9 Å²	102.9	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-40.9	176.7	-153.2	163.5	144.8	0	0	111.1	R75 Q76 L82 A83	R75-E79 IonicContact CZ-OE2 2.63Å; R75-E79 IonicContact NE-OE2 3.6Å; R75-E79 PolarHBondContact NE-OE2 3.33Å; R75-E79 IonicContact NH2-OE2 2.74Å; R75-E79 PolarHBondContact NH2-OE2 3.36Å; R75-E79 WeakPolarHBondContact O-CB 3.32Å; R75-E79 PolarHBondContact O-N 2.86Å; Q76-E79 PolarHBondContact O-N 3.23Å; E79-L82 PolarHBondContact O-N 3.11Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.2Å
80	E	90	Very high	90.5	Very high	129 Å²	129	101.5 Å²	101.5	60%	0.603	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-46.7	173	-178.2	179	-149.7	0	0	112.1	Q76 L82 A83 E84	Q76-E80 VanDerWaalsContact O-CB 3.22Å; Q76-E80 WeakPolarHBondContact O-CB 3.25Å; Q76-E80 PolarHBondContact O-N 3.5Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.17Å; E80-A83 PolarHBondContact O-N 2.95Å; E80-E84 PolarHBondContact O-N 2.79Å
81	K	93.8	Very high	90.9	Very high	84 Å²	84	102 Å²	102	37%	0.365	49%	0.485	S	S	.	.	H	α-helix	trans	-58.1	-42.1	173.5	-82.4	175.2	172.7	175.9	0	112.7	F77 E84 Q85	F77-K81 HydrophobicContact CE1-CD 4.5Å; F77-K81 VanDerWaalsContact CE1-NZ 3.33Å; F77-K81 HydrophobicContact CZ-CD 4.4Å; F77-K81 WeakPolarHBondContact O-CB 3.39Å; F77-K81 WeakPolarHBondContact O-CG 3.4Å; F77-K81 PolarHBondContact O-N 2.95Å; F77-K81 VanDerWaalsContact O-N 3.1Å; K81-E84 PolarHBondContact O-N 3.4Å; K81-Q85 WeakPolarHBondContact O-CB 3.35Å; K81-Q85 WeakPolarHBondContact O-CG 3.38Å; K81-Q85 PolarHBondContact O-N 3.12Å
82	L	92.2	Very high	91.4	Very high	102 Å²	102	102.5 Å²	102.5	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-37.7	176.7	-71.9	169.6	0	0	0	111.5	K78 E79 E80 Q85 L86	K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.21Å; E79-L82 PolarHBondContact O-N 3.11Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.17Å; L82-Q85 PolarHBondContact O-N 3.02Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 3.38Å
83	A	92.7	Very high	91.7	Very high	58 Å²	58	102.4 Å²	102.4	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-39.4	173.8	0	0	0	0	0	112.5	E79 E80 L86 K87	E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.2Å; E80-A83 PolarHBondContact O-N 2.95Å; A83-L86 PolarHBondContact O-N 2.88Å; A83-K87 WeakPolarHBondContact O-CB 3.45Å; A83-K87 PolarHBondContact O-N 3.43Å
84	E	93.5	Very high	92.2	Very high	111 Å²	111	105.4 Å²	105.4	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-43.4	174.5	-170.2	179.8	-161.2	0	0	111.5	E80 K81 K87 Q88	E80-E84 PolarHBondContact O-N 2.79Å; K81-E84 PolarHBondContact O-N 3.4Å; E84-K87 PolarHBondContact O-N 2.59Å; E84-Q88 WeakPolarHBondContact O-CG 3.47Å; E84-Q88 PolarHBondContact O-N 3.02Å
85	Q	95.1	Very high	92.4	Very high	119 Å²	119	108.3 Å²	108.3	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-40.8	174	-76	-178.5	-37.3	0	0	112.6	K81 L82 Q88 A89	K81-Q85 WeakPolarHBondContact O-CB 3.35Å; K81-Q85 WeakPolarHBondContact O-CG 3.38Å; K81-Q85 PolarHBondContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 3.02Å; Q85-Q88 PolarHBondContact O-N 2.85Å; Q85-A89 WeakPolarHBondContact O-CB 3.34Å; Q85-A89 PolarHBondContact O-N 3.09Å
86	L	94	Very high	92.8	Very high	125 Å²	125	106.5 Å²	106.5	65%	0.654	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-38	175	-75	169.5	0	0	0	111.9	L82 A83 A89 E90	L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 3.38Å; A83-L86 PolarHBondContact O-N 2.88Å; L86-A89 PolarHBondContact O-N 3.34Å; L86-E90 WeakPolarHBondContact O-CB 3.47Å; L86-E90 PolarHBondContact O-N 2.91Å
87	K	95.9	Very high	93.2	Very high	128 Å²	128	106.8 Å²	106.8	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-62.2	-46.9	173.4	-178.4	174.5	179.1	-70.7	0	111.3	A83 E84 A89 E90 E91	A83-K87 WeakPolarHBondContact O-CB 3.45Å; A83-K87 PolarHBondContact O-N 3.43Å; E84-K87 PolarHBondContact O-N 2.59Å; K87-A89 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 2.94Å; K87-E91 WeakPolarHBondContact CE-OE1 3.45Å; K87-E91 IonicContact NZ-OE1 3.03Å; K87-E91 PolarHBondContact NZ-OE1 3.49Å; K87-E91 IonicContact NZ-OE2 3.68Å; K87-E91 WeakPolarHBondContact O-CB 3.48Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 2.94Å
88	Q	94.6	Very high	93.8	Very high	96 Å²	96	107.8 Å²	107.8	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-39.5	176.2	-70.9	171.2	7.7	0	0	112.1	E84 Q85 E91 L92	E84-Q88 WeakPolarHBondContact O-CG 3.47Å; E84-Q88 PolarHBondContact O-N 3.02Å; Q85-Q88 PolarHBondContact O-N 2.85Å; Q88-E91 PolarHBondContact O-N 3.21Å; Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 VanDerWaalsContact O-CG 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.2Å; Q88-L92 PolarHBondContact O-N 2.83Å
89	A	94.3	Very high	94.1	Very high	44 Å²	44	108 Å²	108	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-35.2	176.1	0	0	0	0	0	112.8	Q85 L86 K87 R93	Q85-A89 WeakPolarHBondContact O-CB 3.34Å; Q85-A89 PolarHBondContact O-N 3.09Å; L86-A89 PolarHBondContact O-N 3.34Å; K87-A89 PolarHBondContact O-N 3.29Å; A89-R93 WeakPolarHBondContact O-CD 3.44Å; A89-R93 VanDerWaalsContact O-CG 3.28Å; A89-R93 WeakPolarHBondContact O-CG 3.08Å; A89-R93 PolarHBondContact O-N 2.8Å; A89-R93 VanDerWaalsContact O-N 3.07Å
90	E	93.8	Very high	94.4	Very high	88 Å²	88	106.8 Å²	106.8	41%	0.411	52%	0.516	S	S	.	.	H	α-helix	trans	-77.5	-35.1	176.4	-166.2	59.3	-155.1	0	0	112.2	L86 K87 R93 Q94	L86-E90 WeakPolarHBondContact O-CB 3.47Å; L86-E90 PolarHBondContact O-N 2.91Å; K87-E90 PolarHBondContact O-N 2.94Å; E90-R93 WeakPolarHBondContact O-CB 3.5Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 WeakPolarHBondContact OE2-CD 3.28Å; E90-R93 IonicContact OE2-CZ 2.66Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 IonicContact OE2-NH1 3.62Å; E90-R93 PolarHBondContact OE2-NH1 3.36Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.43Å
91	E	95.5	Very high	94.6	Very high	71 Å²	71	102.9 Å²	102.9	33%	0.332	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-45.9	167.7	-75.7	168.4	175.8	0	0	111	K87 Q88 R93 Q94 Y95	K87-E91 WeakPolarHBondContact CE-OE1 3.45Å; K87-E91 IonicContact NZ-OE1 3.03Å; K87-E91 PolarHBondContact NZ-OE1 3.49Å; K87-E91 IonicContact NZ-OE2 3.68Å; K87-E91 WeakPolarHBondContact O-CB 3.48Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 2.94Å; Q88-E91 PolarHBondContact O-N 3.21Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 2.77Å; E91-Q94 PolarHBondContact O-N 2.76Å; E91-Q94 VanDerWaalsContact O-N 3.15Å; E91-Y95 HydrophobicContact CB-CE2 4.49Å; E91-Y95 WeakPolarHBondContact O-CD2 3.36Å; E91-Y95 PolarHBondContact O-N 2.83Å
92	L	94.6	Very high	94.7	Very high	120 Å²	120	104.6 Å²	104.6	63%	0.628	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-33.9	174.6	-75.2	169.3	0	0	0	113.1	Q88 K96	Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 VanDerWaalsContact O-CG 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.2Å; Q88-L92 PolarHBondContact O-N 2.83Å; L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.35Å
93	R	95.6	Very high	94.9	Very high	161 Å²	161	103.7 Å²	103.7	61%	0.608	51%	0.505	S	S	*	.	H	α-helix	trans	-66.6	-42	172.7	-74.9	161.4	166.4	-155.9	-5.4	111.9	A89 E90 E91 K96 V97	A89-R93 WeakPolarHBondContact O-CD 3.44Å; A89-R93 VanDerWaalsContact O-CG 3.28Å; A89-R93 WeakPolarHBondContact O-CG 3.08Å; A89-R93 PolarHBondContact O-N 2.8Å; A89-R93 VanDerWaalsContact O-N 3.07Å; E90-R93 WeakPolarHBondContact O-CB 3.5Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 WeakPolarHBondContact OE2-CD 3.28Å; E90-R93 IonicContact OE2-CZ 2.66Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 IonicContact OE2-NH1 3.62Å; E90-R93 PolarHBondContact OE2-NH1 3.36Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 2.77Å; R93-K96 PolarHBondContact O-N 2.76Å; R93-V97 WeakPolarHBondContact O-CG2 3.37Å; R93-V97 PolarHBondContact O-N 2.89Å
94	Q	95.8	Very high	95	Very high	122 Å²	122	109.2 Å²	109.2	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-44.1	175.9	-69.1	169.5	24	0	0	111.3	E90 E91 K96 V97 L98	E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.43Å; E91-Q94 PolarHBondContact O-N 2.76Å; E91-Q94 VanDerWaalsContact O-N 3.15Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 2.78Å; Q94-V97 PolarHBondContact O-N 3.46Å; Q94-L98 PolarHBondContact O-N 3.17Å
95	Y	92.5	Very high	95.2	Very high	155 Å²	155	110.1 Å²	110.1	61%	0.608	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-39	172.8	-75.9	-62.8	0	0	0	112.7	E91 V97 L98 F99	E91-Y95 HydrophobicContact CB-CE2 4.49Å; E91-Y95 WeakPolarHBondContact O-CD2 3.36Å; E91-Y95 PolarHBondContact O-N 2.83Å; Y95-V97 PolarHBondContact O-N 3.1Å; Y95-L98 HydrophobicContact CD1-CD2 4.4Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.29Å; Y95-F99 WeakPolarHBondContact O-CB 3.12Å; Y95-F99 PolarHBondContact O-N 2.98Å
96	K	95.6	Very high	95.3	Very high	131 Å²	131	108.4 Å²	108.4	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-39.8	175.3	-174.2	167.8	-176.8	170.8	0	112.4	L92 R93 Q94 H100	L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.35Å; R93-K96 PolarHBondContact O-N 2.76Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 2.78Å; K96-H100 WeakPolarHBondContact CE-NE2 2.85Å; K96-H100 PolarHBondContact O-N 3.31Å; K96-H100 VanDerWaalsContact O-N 3.08Å
97	V	95.1	Very high	95.3	Very high	104 Å²	104	106.6 Å²	106.6	63%	0.63	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-44.2	174.2	173.7	0	0	0	0	111	R93 Q94 Y95 F99 H100 S101	R93-V97 WeakPolarHBondContact O-CG2 3.37Å; R93-V97 PolarHBondContact O-N 2.89Å; Q94-V97 PolarHBondContact O-N 3.46Å; Y95-V97 PolarHBondContact O-N 3.1Å; V97-F99 VanDerWaalsContact C-N 3.35Å; V97-F99 PolarHBondContact O-N 3.45Å; V97-H100 PolarHBondContact O-N 3.12Å; V97-S101 PolarHBondContact O-N 2.7Å; V97-S101 PolarHBondContact O-OG 3.01Å
98	L	95.5	Very high	95.3	Very high	100 Å²	100	105.2 Å²	105.2	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-57.7	-46.4	176.8	-171.3	80.4	0	0	0	111.7	Q94 Y95 S101 Q102	Q94-L98 PolarHBondContact O-N 3.17Å; Y95-L98 HydrophobicContact CD1-CD2 4.4Å; Y95-L98 WeakPolarHBondContact O-CB 3.45Å; Y95-L98 PolarHBondContact O-N 3.29Å; L98-S101 WeakPolarHBondContact CA-OG 3.28Å; L98-S101 PolarHBondContact O-N 3.27Å; L98-S101 PolarHBondContact O-OG 3.46Å; L98-Q102 PolarHBondContact O-N 2.9Å
99	F	96.4	Very high	95.4	Very high	117 Å²	117	105.2 Å²	105.2	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-48.2	177.6	-166.1	-104.9	0	0	0	111	Y95 V97 S101 Q102 E103	Y95-F99 WeakPolarHBondContact O-CB 3.12Å; Y95-F99 PolarHBondContact O-N 2.98Å; V97-F99 VanDerWaalsContact C-N 3.35Å; V97-F99 PolarHBondContact O-N 3.45Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.38Å; F99-Q102 PolarHBondContact O-N 3.32Å; F99-E103 HydrophobicContact CD1-CG 3.96Å; F99-E103 VanDerWaalsContact CD1-OE2 3.25Å; F99-E103 WeakPolarHBondContact CD1-OE2 3.46Å; F99-E103 HydrophobicContact CE1-CG 3.85Å; F99-E103 VanDerWaalsContact CE1-OE1 3.25Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.45Å; F99-E103 HydrophobicContact CZ-CG 4.33Å; F99-E103 WeakPolarHBondContact O-CG 3.44Å; F99-E103 PolarHBondContact O-N 3.3Å
100	H	94.9	Very high	95.4	Very high	77 Å²	77	111.1 Å²	111.1	36%	0.356	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-21.9	176.8	-67.5	-0.6	0	0	0	114.5	K96 V97 E103 R104	K96-H100 WeakPolarHBondContact CE-NE2 2.85Å; K96-H100 PolarHBondContact O-N 3.31Å; K96-H100 VanDerWaalsContact O-N 3.08Å; V97-H100 PolarHBondContact O-N 3.12Å; H100-E103 VanDerWaalsContact CA-OE2 3.32Å; H100-E103 WeakPolarHBondContact CA-OE2 3.37Å; H100-E103 IonicContact CE1-OE2 3.67Å; H100-E103 IonicContact CG-OE2 2.7Å; H100-E103 IonicContact ND1-OE2 3.66Å; H100-E103 PolarHBondContact ND1-OE2 2.94Å; H100-R104 WeakPolarHBondContact O-CD 3.43Å; H100-R104 VanDerWaalsContact O-CG 3.24Å; H100-R104 WeakPolarHBondContact O-CG 3.24Å; H100-R104 PolarHBondContact O-NE 3.22Å
101	S	95.1	Very high	95.4	Very high	47 Å²	47	112.3 Å²	112.3	33%	0.329	52%	0.523	S	S	.	.	H	α-helix	trans	-75	-45.8	165.4	30.8	0	0	0	0	112.1	V97 L98 F99 E103 R104 E105	V97-S101 PolarHBondContact O-N 2.7Å; V97-S101 PolarHBondContact O-OG 3.01Å; L98-S101 WeakPolarHBondContact CA-OG 3.28Å; L98-S101 PolarHBondContact O-N 3.27Å; L98-S101 PolarHBondContact O-OG 3.46Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.38Å; S101-E103 PolarHBondContact O-N 2.92Å; S101-R104 WeakPolarHBondContact O-CB 3.15Å; S101-R104 PolarHBondContact O-N 2.66Å; S101-R104 VanDerWaalsContact O-N 3.13Å; S101-E105 PolarHBondContact O-N 3.32Å
102	Q	96.8	Very high	95.5	Very high	121 Å²	121	114.5 Å²	114.5	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-65	-38.1	-178.4	-168.5	175.3	3.7	0	0	112.5	L98 F99 R104 E105 L106	L98-Q102 PolarHBondContact O-N 2.9Å; F99-Q102 PolarHBondContact O-N 3.32Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.83Å; Q102-E105 PolarHBondContact O-N 2.85Å; Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 2.71Å
103	E	95.8	Very high	95.4	Very high	82 Å²	82	112.6 Å²	112.6	38%	0.383	52%	0.521	S	S	.	.	H	α-helix	trans	-58.7	-39.2	172.5	-71.9	173.5	114.7	0	0	111.9	F99 H100 S101 T107	F99-E103 HydrophobicContact CD1-CG 3.96Å; F99-E103 VanDerWaalsContact CD1-OE2 3.25Å; F99-E103 WeakPolarHBondContact CD1-OE2 3.46Å; F99-E103 HydrophobicContact CE1-CG 3.85Å; F99-E103 VanDerWaalsContact CE1-OE1 3.25Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.45Å; F99-E103 HydrophobicContact CZ-CG 4.33Å; F99-E103 WeakPolarHBondContact O-CG 3.44Å; F99-E103 PolarHBondContact O-N 3.3Å; H100-E103 VanDerWaalsContact CA-OE2 3.32Å; H100-E103 WeakPolarHBondContact CA-OE2 3.37Å; H100-E103 IonicContact CE1-OE2 3.67Å; H100-E103 IonicContact CG-OE2 2.7Å; H100-E103 IonicContact ND1-OE2 3.66Å; H100-E103 PolarHBondContact ND1-OE2 2.94Å; S101-E103 PolarHBondContact O-N 2.92Å; E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 PolarHBondContact O-N 2.77Å; E103-T107 PolarHBondContact O-OG1 3.26Å
104	R	95.3	Very high	95.3	Very high	174 Å²	174	112 Å²	112	66%	0.657	52%	0.519	S	S	*	.	H	α-helix	trans	-71.7	-40.6	178	-69	168.6	-176.4	179.9	-0	112	H100 S101 Q102 T107 Q108	H100-R104 WeakPolarHBondContact O-CD 3.43Å; H100-R104 VanDerWaalsContact O-CG 3.24Å; H100-R104 WeakPolarHBondContact O-CG 3.24Å; H100-R104 PolarHBondContact O-NE 3.22Å; S101-R104 WeakPolarHBondContact O-CB 3.15Å; S101-R104 PolarHBondContact O-N 2.66Å; S101-R104 VanDerWaalsContact O-N 3.13Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.83Å; R104-T107 PolarHBondContact O-N 2.89Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 2.93Å
105	E	96.8	Very high	95.2	Very high	130 Å²	130	111.7 Å²	111.7	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-43.1	174.8	-71.2	173.9	-161.9	0	0	111.3	S101 Q102 T107 Q108 L109	S101-E105 PolarHBondContact O-N 3.32Å; Q102-E105 PolarHBondContact O-N 2.85Å; E105-T107 VanDerWaalsContact C-N 3.33Å; E105-T107 PolarHBondContact O-N 2.76Å; E105-Q108 PolarHBondContact O-N 2.87Å; E105-L109 PolarHBondContact O-N 3.44Å
106	L	96.6	Very high	95.3	Very high	83 Å²	83	105.6 Å²	105.6	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-37.5	173.6	-176.9	62	0	0	0	112.1	Q102 L109 R110	Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 2.71Å; L106-L109 PolarHBondContact O-N 2.74Å; L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 WeakPolarHBondContact O-CG 3.44Å; L106-R110 PolarHBondContact O-N 2.8Å
107	T	94.6	Very high	95.2	Very high	87 Å²	87	101.8 Å²	101.8	53%	0.534	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-46.6	174.8	-58.6	0	0	0	0	111.2	E103 R104 E105 L109 R110 E111	E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 PolarHBondContact O-N 2.77Å; E103-T107 PolarHBondContact O-OG1 3.26Å; R104-T107 PolarHBondContact O-N 2.89Å; E105-T107 VanDerWaalsContact C-N 3.33Å; E105-T107 PolarHBondContact O-N 2.76Å; T107-L109 VanDerWaalsContact C-N 3.28Å; T107-L109 PolarHBondContact O-N 3.09Å; T107-R110 PolarHBondContact O-N 3.21Å; T107-E111 WeakPolarHBondContact O-CB 3.39Å; T107-E111 PolarHBondContact O-N 3.04Å
108	Q	96.1	Very high	95	Very high	99 Å²	99	100 Å²	100	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-30.9	174.8	-70.1	177.3	23.9	0	0	113	R104 E105 K112	R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 2.93Å; E105-Q108 PolarHBondContact O-N 2.87Å; Q108-K112 WeakPolarHBondContact O-CB 3.38Å; Q108-K112 WeakPolarHBondContact O-CD 3.31Å; Q108-K112 VanDerWaalsContact O-CG 3.31Å; Q108-K112 WeakPolarHBondContact O-CG 3.26Å; Q108-K112 PolarHBondContact O-N 2.78Å
109	L	96.4	Very high	95	Very high	96 Å²	96	98.1 Å²	98.1	50%	0.503	47%	0.47	S	S	.	.	H	α-helix	trans	-71.4	-43.3	174.5	-176.9	60.1	0	0	0	111.5	E105 L106 T107 E111 K112 L113	E105-L109 PolarHBondContact O-N 3.44Å; L106-L109 PolarHBondContact O-N 2.74Å; T107-L109 VanDerWaalsContact C-N 3.28Å; T107-L109 PolarHBondContact O-N 3.09Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 3.33Å; L109-K112 PolarHBondContact O-N 2.88Å; L109-L113 HydrophobicContact CG-CD1 4.28Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 2.84Å
110	R	94.3	Very high	94.8	Very high	168 Å²	168	92.7 Å²	92.7	63%	0.634	45%	0.446	S	S	*	.	H	α-helix	trans	-61.4	-35.6	173.2	-74.5	171.6	167.3	-174.2	-7.3	112	L106 T107 R114	L106-R110 WeakPolarHBondContact O-CB 3.47Å; L106-R110 WeakPolarHBondContact O-CG 3.44Å; L106-R110 PolarHBondContact O-N 2.8Å; T107-R110 PolarHBondContact O-N 3.21Å; R110-R114 PolarHBondContact O-N 3.36Å
111	E	94.4	Very high	94.7	Very high	113 Å²	113	94.6 Å²	94.6	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-53	172.5	-174.2	169.8	-135.2	0	0	111.6	T107 L109 L113 R114 E115	T107-E111 WeakPolarHBondContact O-CB 3.39Å; T107-E111 PolarHBondContact O-N 3.04Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 3.33Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.13Å; E111-R114 WeakPolarHBondContact O-CA 3.48Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.4Å; E111-E115 PolarHBondContact O-N 3.45Å
112	K	96.9	Very high	94.7	Very high	118 Å²	118	94.7 Å²	94.7	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-32.5	178.1	-73.2	165.3	-175.9	165.2	0	114	Q108 L109 R114 G116	Q108-K112 WeakPolarHBondContact O-CB 3.38Å; Q108-K112 WeakPolarHBondContact O-CD 3.31Å; Q108-K112 VanDerWaalsContact O-CG 3.31Å; Q108-K112 WeakPolarHBondContact O-CG 3.26Å; Q108-K112 PolarHBondContact O-N 2.78Å; L109-K112 PolarHBondContact O-N 2.88Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-G116 PolarHBondContact O-N 3.46Å
113	L	92.7	Very high	94.6	Very high	79 Å²	79	93 Å²	93	41%	0.414	45%	0.445	S	S	.	.	H	α-helix	trans	-68.1	-31.9	172.4	-74.1	169	0	0	0	112.1	L109 E111 R117 L162	L109-L113 HydrophobicContact CG-CD1 4.28Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 2.84Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.13Å; L113-R117 WeakPolarHBondContact O-CB 3.37Å; L113-R117 PolarHBondContact O-N 3.13Å; L113-L162 HydrophobicContact CD2-CD2 4.14Å
114	R	92.9	Very high	94.4	Very high	148 Å²	148	90 Å²	90	56%	0.558	43%	0.432	S	S	*	.	H	α-helix	trans	-70.6	-48.8	171.6	-171.1	-176.3	-57.9	-85.1	-1.9	111.1	R110 E111 K112 G116 R117 D118	R110-R114 PolarHBondContact O-N 3.36Å; E111-R114 WeakPolarHBondContact O-CA 3.48Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.4Å; K112-R114 VanDerWaalsContact C-N 3.32Å; R114-G116 VanDerWaalsContact C-N 3.27Å; R114-G116 PolarHBondContact O-N 3.04Å; R114-R117 WeakPolarHBondContact O-CB 3.38Å; R114-R117 PolarHBondContact O-N 3.12Å; R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 3.01Å
115	E	93.6	Very high	94.2	Very high	117 Å²	117	87.5 Å²	87.5	55%	0.547	43%	0.427	S	S	.	.	H	α-helix	trans	-54.2	-44.4	173.6	-65.3	179.9	139.2	0	0	111.5	E111 D118 A119	E111-E115 PolarHBondContact O-N 3.45Å; E115-D118 PolarHBondContact O-N 3.24Å; E115-A119 VanDerWaalsContact O-CB 3.32Å; E115-A119 WeakPolarHBondContact O-CB 3.23Å; E115-A119 PolarHBondContact O-N 3.11Å
116	G	94.7	Very high	94	Very high	26 Å²	26	87.1 Å²	87.1	27%	0.268	43%	0.425	S	S	.	.	H	α-helix	trans	-64.1	-37.7	176.4	0	0	0	0	0	113.7	K112 R114 S120 L162	K112-G116 PolarHBondContact O-N 3.46Å; R114-G116 VanDerWaalsContact C-N 3.27Å; R114-G116 PolarHBondContact O-N 3.04Å; G116-S120 WeakPolarHBondContact O-CB 3.38Å; G116-S120 PolarHBondContact O-N 3.42Å; G116-S120 PolarHBondContact O-OG 3.04Å; G116-L162 WeakPolarHBondContact O-CD1 3.4Å
117	R	93.7	Very high	93.7	Very high	52 Å²	52	84.6 Å²	84.6	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-68.3	-37.1	173.9	-173.4	-170.1	-56.9	157.4	2.8	111.9	L113 R114 S120 R121 L162	L113-R117 WeakPolarHBondContact O-CB 3.37Å; L113-R117 PolarHBondContact O-N 3.13Å; R114-R117 WeakPolarHBondContact O-CB 3.38Å; R114-R117 PolarHBondContact O-N 3.12Å; R117-S120 WeakPolarHBondContact CA-OG 3.47Å; R117-S120 PolarHBondContact O-OG 3.04Å; R117-S120 VanDerWaalsContact O-OG 3.13Å; R117-R121 WeakPolarHBondContact O-CB 3.35Å; R117-R121 VanDerWaalsContact O-CG 3.29Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å; R117-R121 PolarHBondContact O-N 3Å; R117-L162 HydrophobicContact CB-CB 4.15Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.43Å
118	D	92.2	Very high	93.5	Very high	66 Å²	66	84.6 Å²	84.6	35%	0.353	41%	0.406	S	S	.	.	H	α-helix	trans	-73.4	-39.3	178.7	-64.1	-21	0	0	0	110.6	R114 E115 R121 S122	R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 3.01Å; E115-D118 PolarHBondContact O-N 3.24Å; D118-R121 IonicContact OD1-CZ 3.45Å; D118-R121 IonicContact OD1-NE 3.21Å; D118-R121 IonicContact OD1-NH2 3.42Å; D118-R121 PolarHBondContact OD1-NH2 3.23Å; D118-S122 WeakPolarHBondContact O-CB 3.39Å; D118-S122 PolarHBondContact O-N 3.19Å
119	A	95.2	Very high	93.1	Very high	61 Å²	61	83 Å²	83	50%	0.504	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-39.9	171	0	0	0	0	0	112.8	E115 L123	E115-A119 VanDerWaalsContact O-CB 3.32Å; E115-A119 WeakPolarHBondContact O-CB 3.23Å; E115-A119 PolarHBondContact O-N 3.11Å; A119-L123 WeakPolarHBondContact O-CB 3.33Å; A119-L123 PolarHBondContact O-N 3.15Å
120	S	92.9	Very high	92.4	Very high	3 Å²	3	83.9 Å²	83.9	2%	0.021	41%	0.414	C	S	.	.	H	α-helix	trans	-73.2	-34	178	69.1	0	0	0	0	112.9	G116 R117 N124 V159	G116-S120 WeakPolarHBondContact O-CB 3.38Å; G116-S120 PolarHBondContact O-N 3.42Å; G116-S120 PolarHBondContact O-OG 3.04Å; R117-S120 WeakPolarHBondContact CA-OG 3.47Å; R117-S120 PolarHBondContact O-OG 3.04Å; R117-S120 VanDerWaalsContact O-OG 3.13Å; S120-N124 WeakPolarHBondContact O-CB 3.5Å; S120-N124 PolarHBondContact O-N 2.7Å; S120-V159 WeakPolarHBondContact OG-CG2 3.46Å
121	R	92.8	Very high	91.6	Very high	116 Å²	116	77.7 Å²	77.7	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-50.4	168.6	-76.2	-168.1	-69.3	174.7	0.5	111.2	R117 D118 L123 N124 E125 V159	R117-R121 WeakPolarHBondContact O-CB 3.35Å; R117-R121 VanDerWaalsContact O-CG 3.29Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å; R117-R121 PolarHBondContact O-N 3Å; D118-R121 IonicContact OD1-CZ 3.45Å; D118-R121 IonicContact OD1-NE 3.21Å; D118-R121 IonicContact OD1-NH2 3.42Å; D118-R121 PolarHBondContact OD1-NH2 3.23Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 2.82Å; R121-N124 WeakPolarHBondContact O-CB 3.22Å; R121-N124 PolarHBondContact O-N 3.06Å; R121-N124 VanDerWaalsContact O-N 3.13Å; R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 3.06Å; R121-V159 HydrophobicContact CB-CG2 4.43Å; R121-V159 HydrophobicContact CG-CG1 3.91Å; R121-V159 HydrophobicContact CG-CG2 3.8Å
122	S	94.2	Very high	90.4	Very high	49 Å²	49	76.8 Å²	76.8	34%	0.343	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-44.5	175.2	176.6	0	0	0	0	112	D118 N124 E125 H126	D118-S122 WeakPolarHBondContact O-CB 3.39Å; D118-S122 PolarHBondContact O-N 3.19Å; S122-N124 PolarHBondContact O-N 3.08Å; S122-E125 PolarHBondContact O-N 3.01Å; S122-H126 PolarHBondContact O-N 2.9Å; S122-H126 PolarHBondContact O-ND1 3.37Å; S122-H126 PolarHBondContact OG-CE1 3.45Å; S122-H126 PolarHBondContact OG-ND1 3.29Å
123	L	94.3	Very high	88.8	Confident	85 Å²	85	75.8 Å²	75.8	45%	0.445	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-44.3	176.4	176.8	62	0	0	0	112	A119 R121 H126 L127 A155	A119-L123 WeakPolarHBondContact O-CB 3.33Å; A119-L123 PolarHBondContact O-N 3.15Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 2.82Å; L123-H126 PolarHBondContact O-N 2.99Å; L123-L127 HydrophobicContact CD1-CD1 3.87Å; L123-L127 HydrophobicContact CD1-CG 4.16Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.16Å; L123-A155 HydrophobicContact CD2-CB 4.45Å; L123-A155 HydrophobicContact CG-CB 4.3Å
124	N	92.5	Very high	87.3	Confident	21 Å²	21	79.8 Å²	79.8	11%	0.112	42%	0.424	C	S	.	.	H	α-helix	trans	-62.6	-42.7	176.9	-178	32.6	0	0	0	112	S120 R121 S122 L127 Q128 A155 Q156	S120-N124 WeakPolarHBondContact O-CB 3.5Å; S120-N124 PolarHBondContact O-N 2.7Å; R121-N124 WeakPolarHBondContact O-CB 3.22Å; R121-N124 PolarHBondContact O-N 3.06Å; R121-N124 VanDerWaalsContact O-N 3.13Å; S122-N124 PolarHBondContact O-N 3.08Å; N124-L127 PolarHBondContact O-N 3.06Å; N124-Q128 PolarHBondContact ND2-NE2 2.58Å; N124-Q128 WeakPolarHBondContact O-CB 3.45Å; N124-Q128 VanDerWaalsContact O-CG 3.3Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 2.76Å; N124-Q128 PolarHBondContact OD1-NE2 3.24Å; N124-A155 HydrophobicContact CB-CB 3.8Å; N124-Q156 WeakPolarHBondContact OD1-CG 3.49Å
125	E	91.3	Very high	85.7	Confident	120 Å²	120	80.9 Å²	80.9	56%	0.561	44%	0.435	S	S	*	.	H	α-helix	trans	-63.2	-45.6	176.4	-72.1	162.2	-162.5	0	0	111.9	R121 S122 Q128 A129	R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 3.06Å; S122-E125 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 2.93Å; E125-A129 WeakPolarHBondContact O-CB 3.22Å; E125-A129 PolarHBondContact O-N 3.09Å
126	H	91.8	Very high	83.8	Confident	122 Å²	122	81 Å²	81	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-64.4	-40.7	177	-75	82.2	0	0	0	112.4	S122 L123 A129 L130	S122-H126 PolarHBondContact O-N 2.9Å; S122-H126 PolarHBondContact O-ND1 3.37Å; S122-H126 PolarHBondContact OG-CE1 3.45Å; S122-H126 PolarHBondContact OG-ND1 3.29Å; L123-H126 PolarHBondContact O-N 2.99Å; H126-A129 PolarHBondContact O-N 3.06Å; H126-L130 WeakPolarHBondContact O-CG 3.27Å; H126-L130 PolarHBondContact O-N 2.98Å; H126-L130 VanDerWaalsContact O-N 3.08Å
127	L	90.7	Very high	82	Confident	31 Å²	31	85.4 Å²	85.4	16%	0.162	46%	0.464	C	S	.	.	H	α-helix	trans	-68.9	-34.3	177.1	-68.8	169.2	0	0	0	111.9	L123 N124 L130 L131 L148 C152 A155	L123-L127 HydrophobicContact CD1-CD1 3.87Å; L123-L127 HydrophobicContact CD1-CG 4.16Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.16Å; N124-L127 PolarHBondContact O-N 3.06Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-L131 PolarHBondContact O-N 3.31Å; L127-L131 VanDerWaalsContact O-N 3.15Å; L127-L148 HydrophobicContact CD2-CD2 3.87Å; L127-C152 WeakPolarHBondContact CB-SG 3.44Å; L127-A155 HydrophobicContact CD1-CB 4.17Å
128	Q	89.4	Confident	80.3	Confident	86 Å²	86	90.6 Å²	90.6	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-38.5	172.2	-74.5	176.6	46.2	0	0	112.3	N124 E125 L130 L131 T132	N124-Q128 PolarHBondContact ND2-NE2 2.58Å; N124-Q128 WeakPolarHBondContact O-CB 3.45Å; N124-Q128 VanDerWaalsContact O-CG 3.3Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 2.76Å; N124-Q128 PolarHBondContact OD1-NE2 3.24Å; E125-Q128 PolarHBondContact O-N 2.93Å; Q128-L130 PolarHBondContact O-N 3.25Å; Q128-L131 WeakPolarHBondContact O-CB 3.39Å; Q128-L131 PolarHBondContact O-N 3.11Å; Q128-T132 PolarHBondContact O-N 3.33Å
129	A	88.1	Confident	78.9	Confident	65 Å²	65	91.7 Å²	91.7	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-20.3	173.6	0	0	0	0	0	113.7	E125 H126 T132	E125-A129 WeakPolarHBondContact O-CB 3.22Å; E125-A129 PolarHBondContact O-N 3.09Å; H126-A129 PolarHBondContact O-N 3.06Å; A129-T132 PolarHBondContact O-OG1 3.06Å; A129-T132 VanDerWaalsContact O-OG1 3.04Å
130	L	82.7	Confident	77.1	Confident	115 Å²	115	97.1 Å²	97.1	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-85.6	-14.1	168.7	-68.2	172.4	0	0	0	113.1	H126 L127 Q128 L148	H126-L130 WeakPolarHBondContact O-CG 3.27Å; H126-L130 PolarHBondContact O-N 2.98Å; H126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 PolarHBondContact O-N 3.43Å; Q128-L130 PolarHBondContact O-N 3.25Å; L130-L148 HydrophobicContact CB-CD1 4.16Å; L130-L148 HydrophobicContact CB-CD2 4.14Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å
131	L	76.9	Confident	75.9	Confident	39 Å²	39	98.7 Å²	98.7	20%	0.204	53%	0.532	C	S	.	.	H	α-helix	trans	-92.5	-16.1	176.9	-82.4	-178.7	0	0	0	114.6	L127 Q128 P133 Q145 L148 A149 C152	L127-L131 PolarHBondContact O-N 3.31Å; L127-L131 VanDerWaalsContact O-N 3.15Å; Q128-L131 WeakPolarHBondContact O-CB 3.39Å; Q128-L131 PolarHBondContact O-N 3.11Å; L131-P133 WeakPolarHBondContact O-CD 3.49Å; L131-P133 VanDerWaalsContact O-CG 3.3Å; L131-P133 WeakPolarHBondContact O-CG 3.41Å; L131-P133 VanDerWaalsContact O-N 3.12Å; L131-Q145 HydrophobicContact CD2-CG 3.88Å; L131-Q145 WeakPolarHBondContact CD2-O 3.32Å; L131-L148 HydrophobicContact CD2-CB 3.48Å; L131-L148 VanDerWaalsContact CD2-CB 3.48Å; L131-L148 HydrophobicContact CG-CB 3.93Å; L131-A149 HydrophobicContact CD1-CB 4.25Å; L131-A149 HydrophobicContact CD2-CB 4.37Å; L131-C152 HydrophobicContact CD1-CB 4.12Å; L131-C152 WeakPolarHBondContact CD1-SG 3.42Å
132	T	69.5	Low	75	Confident	93 Å²	93	99.2 Å²	99.2	57%	0.571	54%	0.539	S	S	*	.	S	Bend	trans	-62.3	109.4	174.9	43.8	0	0	0	0	109.3	Q128 A129 D134	Q128-T132 PolarHBondContact O-N 3.33Å; A129-T132 PolarHBondContact O-OG1 3.06Å; A129-T132 VanDerWaalsContact O-OG1 3.04Å; T132-D134 PolarHBondContact O-N 2.94Å
133	P	62.5	Low	74.4	Confident	98 Å²	98	101.6 Å²	101.6	64%	0.636	55%	0.548	S	S	*	.			trans	-83.5	95.5	-164.6	-6.2	24	0	0	0	111.8	L131 E135	L131-P133 WeakPolarHBondContact O-CD 3.49Å; L131-P133 VanDerWaalsContact O-CG 3.3Å; L131-P133 WeakPolarHBondContact O-CG 3.41Å; L131-P133 VanDerWaalsContact O-N 3.12Å; P133-E135 VanDerWaalsContact C-N 3.31Å; P133-E135 PolarHBondContact O-N 3.29Å
134	D	61.5	Low	73.8	Confident	163 Å²	163	102.3 Å²	102.3	87%	0.872	55%	0.552	S	S	*	*	S	Bend	trans	-70.4	90.9	161.8	-79.1	-24.5	0	0	0	109.6	T132	T132-D134 PolarHBondContact O-N 2.94Å
135	E	58.6	Low	73.4	Confident	170 Å²	170	105.3 Å²	105.3	79%	0.794	57%	0.565	S	S	*	*	S	Bend	trans	79.1	132.9	168.6	-147.3	161.2	-171.6	0	0	117.2	P133 D137	P133-E135 VanDerWaalsContact C-N 3.31Å; P133-E135 PolarHBondContact O-N 3.29Å; E135-D137 PolarHBondContact O-N 3.25Å
136	P	55.3	Low	73.1	Confident	120 Å²	120	105.9 Å²	105.9	78%	0.779	57%	0.568	S	S	*	*			trans	-87.8	72.1	-165.7	35.5	-37.5	0	0	0	113.7	K138	P136-K138 PolarHBondContact O-N 3.48Å
137	D	56	Low	72.9	Confident	119 Å²	119	104.9 Å²	104.9	64%	0.636	56%	0.564	S	S	*	*			trans	-82.8	81.1	-173.9	-129.3	-3.8	0	0	0	115.4	E135	E135-D137 PolarHBondContact O-N 3.25Å
138	K	58.4	Low	72.8	Confident	161 Å²	161	105.7 Å²	105.7	70%	0.7	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	35.6	87	146.2	-53.9	178.4	-151.2	74.1	0	116.2	P136 Q140	P136-K138 PolarHBondContact O-N 3.48Å; K138-Q140 PolarHBondContact O-N 3.45Å
139	S	61.4	Low	72.7	Confident	88 Å²	88	103.1 Å²	103.1	62%	0.615	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.8	-45.6	165.4	63.7	0	0	0	0	118.2	G141 Q142	S139-G141 VanDerWaalsContact C-N 3.33Å; S139-G141 PolarHBondContact O-N 3.26Å; S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.47Å; S139-Q142 VanDerWaalsContact O-N 3.15Å
140	Q	58.7	Low	72.9	Confident	175 Å²	175	105 Å²	105	82%	0.818	56%	0.559	S	S	*	*	H	α-helix	trans	-72.7	-26.7	-172.6	-166.4	168.7	-6.1	0	0	113.1	K138 Q142	K138-Q140 PolarHBondContact O-N 3.45Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å
141	G	66.9	Low	73.4	Confident	37 Å²	37	100.4 Å²	100.4	38%	0.381	54%	0.54	S	S	.	.	H	α-helix	trans	-77.4	-11.4	172	0	0	0	0	0	115.1	S139 Q145	S139-G141 VanDerWaalsContact C-N 3.33Å; S139-G141 PolarHBondContact O-N 3.26Å; G141-Q145 WeakPolarHBondContact O-CB 3.25Å; G141-Q145 PolarHBondContact O-N 2.85Å
142	Q	74.5	Confident	74.1	Confident	126 Å²	126	98.9 Å²	98.9	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-72.7	-38.9	-168.6	-63.5	-170.9	-70.1	0	0	113.3	S139 Q140 Q145 E146	S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.47Å; S139-Q142 VanDerWaalsContact O-N 3.15Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-Q145 PolarHBondContact O-N 2.9Å; Q142-E146 PolarHBondContact O-N 2.93Å
143	D	81.5	Confident	75.2	Confident	99 Å²	99	101 Å²	101	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-46.5	174.7	171.9	56.9	0	0	0	111.5	Q145 E146 Q147	D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 3.33Å; D143-E146 PolarHBondContact O-N 3.03Å; D143-Q147 VanDerWaalsContact O-CG 3.32Å; D143-Q147 WeakPolarHBondContact O-CG 3.38Å; D143-Q147 PolarHBondContact O-N 3.16Å; D143-Q147 PolarHBondContact OD1-NE2 3.4Å; D143-Q147 PolarHBondContact OD2-NE2 3.37Å
144	L	81.5	Confident	76.7	Confident	100 Å²	100	101.2 Å²	101.2	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-37.2	175.3	-63	176.4	0	0	0	112.2	Q147 L148	L144-Q147 PolarHBondContact O-N 2.89Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.96Å
145	Q	84.1	Confident	78.3	Confident	84 Å²	84	93.6 Å²	93.6	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-68.3	-37.7	175.6	-168.3	175.8	29.6	0	0	112	L131 G141 Q142 D143 L148 A149	L131-Q145 HydrophobicContact CD2-CG 3.88Å; L131-Q145 WeakPolarHBondContact CD2-O 3.32Å; G141-Q145 WeakPolarHBondContact O-CB 3.25Å; G141-Q145 PolarHBondContact O-N 2.85Å; Q142-Q145 PolarHBondContact O-N 2.9Å; D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 3.33Å; Q145-L148 PolarHBondContact O-N 2.82Å; Q145-A149 VanDerWaalsContact O-CB 3.29Å; Q145-A149 WeakPolarHBondContact O-CB 3.39Å; Q145-A149 PolarHBondContact O-N 3.47Å
146	E	84.9	Confident	79.8	Confident	133 Å²	133	89.4 Å²	89.4	62%	0.621	47%	0.465	S	S	*	.	H	α-helix	trans	-67.6	-40.6	174.4	-176.5	159.1	-158.9	0	0	111.7	Q142 D143 A149 E150	Q142-E146 PolarHBondContact O-N 2.93Å; D143-E146 PolarHBondContact O-N 3.03Å; E146-A149 CarbonylContact O-C 3.59Å; E146-A149 PolarHBondContact O-N 3.11Å; E146-E150 PolarHBondContact O-N 2.99Å
147	Q	88	Confident	81.6	Confident	100 Å²	100	87.7 Å²	87.7	47%	0.467	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173.7	-70	169.8	28.5	0	0	112.2	D143 L144 A149 E150 G151	D143-Q147 VanDerWaalsContact O-CG 3.32Å; D143-Q147 WeakPolarHBondContact O-CG 3.38Å; D143-Q147 PolarHBondContact O-N 3.16Å; D143-Q147 PolarHBondContact OD1-NE2 3.4Å; D143-Q147 PolarHBondContact OD2-NE2 3.37Å; L144-Q147 PolarHBondContact O-N 2.89Å; Q147-A149 VanDerWaalsContact C-N 3.33Å; Q147-A149 PolarHBondContact O-N 3.4Å; Q147-E150 PolarHBondContact O-N 2.86Å; Q147-G151 PolarHBondContact O-N 3.23Å
148	L	87.7	Confident	83.3	Confident	48 Å²	48	85.6 Å²	85.6	25%	0.251	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-34.2	173.2	-73.9	168.9	0	0	0	112.2	L127 L130 L131 L144 Q145 G151 C152	L127-L148 HydrophobicContact CD2-CD2 3.87Å; L130-L148 HydrophobicContact CB-CD1 4.16Å; L130-L148 HydrophobicContact CB-CD2 4.14Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å; L131-L148 HydrophobicContact CD2-CB 3.48Å; L131-L148 VanDerWaalsContact CD2-CB 3.48Å; L131-L148 HydrophobicContact CG-CB 3.93Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.96Å; Q145-L148 PolarHBondContact O-N 2.82Å; L148-G151 PolarHBondContact O-N 2.88Å; L148-C152 PolarHBondContact O-N 2.9Å; L148-C152 PolarHBondContact O-SG 3.45Å; L148-C152 VanDerWaalsContact O-SG 3.35Å
149	A	87.9	Confident	84.9	Confident	32 Å²	32	79.2 Å²	79.2	26%	0.264	41%	0.409	S	S	.	.	H	α-helix	trans	-72.9	-32	174.7	0	0	0	0	0	113	L131 Q145 E146 Q147 R153	L131-A149 HydrophobicContact CD1-CB 4.25Å; L131-A149 HydrophobicContact CD2-CB 4.37Å; Q145-A149 VanDerWaalsContact O-CB 3.29Å; Q145-A149 WeakPolarHBondContact O-CB 3.39Å; Q145-A149 PolarHBondContact O-N 3.47Å; E146-A149 CarbonylContact O-C 3.59Å; E146-A149 PolarHBondContact O-N 3.11Å; Q147-A149 VanDerWaalsContact C-N 3.33Å; Q147-A149 PolarHBondContact O-N 3.4Å; A149-R153 VanDerWaalsContact O-CG 3.31Å; A149-R153 WeakPolarHBondContact O-CG 3.2Å; A149-R153 PolarHBondContact O-N 2.95Å; A149-R153 VanDerWaalsContact O-N 3.16Å; A149-R153 PolarHBondContact O-NE 3.1Å
150	E	92.3	Very high	86.2	Confident	105 Å²	105	81.3 Å²	81.3	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-45	165.9	-168.4	167.8	-166.3	0	0	111.4	E146 Q147 C152 R153 L154	E146-E150 PolarHBondContact O-N 2.99Å; Q147-E150 PolarHBondContact O-N 2.86Å; E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 2.82Å; E150-R153 WeakPolarHBondContact O-CB 3.37Å; E150-R153 PolarHBondContact O-N 3.04Å; E150-R153 VanDerWaalsContact O-N 3.08Å; E150-L154 HydrophobicContact CG-CD1 4.13Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.5Å; E150-L154 PolarHBondContact O-N 3.16Å
151	G	93.3	Very high	87.7	Confident	19 Å²	19	80 Å²	80	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-53	-46.3	173	0	0	0	0	0	112.8	Q147 L148 L154 A155	Q147-G151 PolarHBondContact O-N 3.23Å; L148-G151 PolarHBondContact O-N 2.88Å; G151-L154 PolarHBondContact O-N 3.04Å; G151-A155 WeakPolarHBondContact O-CB 3.31Å; G151-A155 PolarHBondContact O-N 3.36Å
152	C	90.8	Very high	88.7	Confident	7 Å²	7	80.1 Å²	80.1	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-61.8	-45.5	174.3	-72.6	0	0	0	0	112.7	L127 L131 L148 E150 L154 A155 Q156	L127-C152 WeakPolarHBondContact CB-SG 3.44Å; L131-C152 HydrophobicContact CD1-CB 4.12Å; L131-C152 WeakPolarHBondContact CD1-SG 3.42Å; L148-C152 PolarHBondContact O-N 2.9Å; L148-C152 PolarHBondContact O-SG 3.45Å; L148-C152 VanDerWaalsContact O-SG 3.35Å; E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 2.82Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact O-N 3Å; C152-A155 PolarHBondContact O-N 2.97Å; C152-Q156 WeakPolarHBondContact O-CB 3.42Å; C152-Q156 VanDerWaalsContact O-CG 3.26Å; C152-Q156 WeakPolarHBondContact O-CG 3.43Å; C152-Q156 PolarHBondContact O-N 3Å
153	R	93.5	Very high	89.1	Confident	138 Å²	138	76.4 Å²	76.4	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-42.1	177	-74.7	173.9	-73.7	169.9	0	111.5	A149 E150 H157	A149-R153 VanDerWaalsContact O-CG 3.31Å; A149-R153 WeakPolarHBondContact O-CG 3.2Å; A149-R153 PolarHBondContact O-N 2.95Å; A149-R153 VanDerWaalsContact O-N 3.16Å; A149-R153 PolarHBondContact O-NE 3.1Å; E150-R153 WeakPolarHBondContact O-CB 3.37Å; E150-R153 PolarHBondContact O-N 3.04Å; E150-R153 VanDerWaalsContact O-N 3.08Å; R153-H157 WeakPolarHBondContact O-CB 3.4Å; R153-H157 PolarHBondContact O-N 3.31Å
154	L	94.4	Very high	88.8	Confident	101 Å²	101	76.1 Å²	76.1	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-40.7	176.7	-67.3	174	0	0	0	112.3	E150 G151 C152 H157 L158	E150-L154 HydrophobicContact CG-CD1 4.13Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.5Å; E150-L154 PolarHBondContact O-N 3.16Å; G151-L154 PolarHBondContact O-N 3.04Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact O-N 3Å; L154-H157 PolarHBondContact O-N 3.03Å; L154-L158 PolarHBondContact O-N 3.23Å
155	A	94.4	Very high	88.2	Confident	4 Å²	4	78.8 Å²	78.8	3%	0.033	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-41.1	176.5	0	0	0	0	0	112	L123 N124 L127 G151 C152 L158 V159	L123-A155 HydrophobicContact CD2-CB 4.45Å; L123-A155 HydrophobicContact CG-CB 4.3Å; N124-A155 HydrophobicContact CB-CB 3.8Å; L127-A155 HydrophobicContact CD1-CB 4.17Å; G151-A155 WeakPolarHBondContact O-CB 3.31Å; G151-A155 PolarHBondContact O-N 3.36Å; C152-A155 PolarHBondContact O-N 2.97Å; A155-L158 WeakPolarHBondContact O-CB 3.48Å; A155-L158 PolarHBondContact O-N 2.97Å; A155-V159 WeakPolarHBondContact O-CG2 3.27Å; A155-V159 PolarHBondContact O-N 3.37Å
156	Q	90.8	Very high	86.9	Confident	81 Å²	81	80.8 Å²	80.8	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-43.6	173	-72.1	173.3	15	0	0	112	N124 C152 L158 V159 Q160	N124-Q156 WeakPolarHBondContact OD1-CG 3.49Å; C152-Q156 WeakPolarHBondContact O-CB 3.42Å; C152-Q156 VanDerWaalsContact O-CG 3.26Å; C152-Q156 WeakPolarHBondContact O-CG 3.43Å; C152-Q156 PolarHBondContact O-N 3Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.15Å; Q156-V159 WeakPolarHBondContact O-CB 3.28Å; Q156-V159 PolarHBondContact O-N 2.93Å; Q156-Q160 WeakPolarHBondContact O-CG 3.16Å; Q156-Q160 PolarHBondContact O-N 2.84Å
157	H	92.4	Very high	85.5	Confident	84 Å²	84	80 Å²	80	39%	0.389	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-32	174.8	173.6	-135.4	0	0	0	112.5	R153 L154 K161	R153-H157 WeakPolarHBondContact O-CB 3.4Å; R153-H157 PolarHBondContact O-N 3.31Å; L154-H157 PolarHBondContact O-N 3.03Å; H157-K161 PolarHBondContact CE1-NZ 3.47Å; H157-K161 WeakPolarHBondContact NE2-CE 3.16Å; H157-K161 PolarHBondContact NE2-NZ 3.25Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 WeakPolarHBondContact O-CG 3.4Å; H157-K161 PolarHBondContact O-N 3.05Å
158	L	92.4	Very high	84	Confident	75 Å²	75	80.9 Å²	80.9	39%	0.393	42%	0.415	S	S	.	.	H	α-helix	trans	-70.9	-37.4	170.9	-175.8	62.6	0	0	0	112.4	L154 A155 Q156 Q160 K161 L162	L154-L158 PolarHBondContact O-N 3.23Å; A155-L158 WeakPolarHBondContact O-CB 3.48Å; A155-L158 PolarHBondContact O-N 2.97Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.15Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-K161 PolarHBondContact O-N 3.07Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CG-CD1 3.95Å; L158-L162 HydrophobicContact CG-CG 4.47Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.2Å; L158-L162 PolarHBondContact O-N 3.37Å
159	V	91.4	Very high	82.4	Confident	27 Å²	27	84.9 Å²	84.9	16%	0.164	44%	0.437	C	S	.	.	H	α-helix	trans	-63.4	-40.9	171.9	172.4	0	0	0	0	110.9	S120 R121 A155 Q156 L162 S163	S120-V159 WeakPolarHBondContact OG-CG2 3.46Å; R121-V159 HydrophobicContact CB-CG2 4.43Å; R121-V159 HydrophobicContact CG-CG1 3.91Å; R121-V159 HydrophobicContact CG-CG2 3.8Å; A155-V159 WeakPolarHBondContact O-CG2 3.27Å; A155-V159 PolarHBondContact O-N 3.37Å; Q156-V159 WeakPolarHBondContact O-CB 3.28Å; Q156-V159 PolarHBondContact O-N 2.93Å; V159-L162 PolarHBondContact O-N 2.88Å; V159-S163 PolarHBondContact O-N 3.2Å; V159-S163 PolarHBondContact O-OG 3.08Å
160	Q	88.8	Confident	80.7	Confident	133 Å²	133	89.3 Å²	89.3	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-61.5	-52.6	173.9	-71.9	168.1	-4	0	0	110.9	Q156 L158 L162 S163	Q156-Q160 WeakPolarHBondContact O-CG 3.16Å; Q156-Q160 PolarHBondContact O-N 2.84Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 3.32Å; Q160-S163 WeakPolarHBondContact O-CB 3.46Å; Q160-S163 PolarHBondContact O-N 3.47Å
161	K	90.9	Very high	78.8	Confident	148 Å²	148	90.6 Å²	90.6	64%	0.643	47%	0.467	S	S	*	.	H	α-helix	trans	-65.9	-18.5	179.6	-78.8	-175.7	165.4	177.4	0	116	H157 L158	H157-K161 PolarHBondContact CE1-NZ 3.47Å; H157-K161 WeakPolarHBondContact NE2-CE 3.16Å; H157-K161 PolarHBondContact NE2-NZ 3.25Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 WeakPolarHBondContact O-CG 3.4Å; H157-K161 PolarHBondContact O-N 3.05Å; L158-K161 PolarHBondContact O-N 3.07Å
162	L	87.3	Confident	76.9	Confident	38 Å²	38	97 Å²	97	20%	0.199	49%	0.491	C	S	.	.	H	α-helix	trans	-104.2	-9.1	176.3	-66.6	179.7	0	0	0	113.1	L113 G116 R117 L158 V159 Q160	L113-L162 HydrophobicContact CD2-CD2 4.14Å; G116-L162 WeakPolarHBondContact O-CD1 3.4Å; R117-L162 HydrophobicContact CB-CB 4.15Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.43Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CG-CD1 3.95Å; L158-L162 HydrophobicContact CG-CG 4.47Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.2Å; L158-L162 PolarHBondContact O-N 3.37Å; V159-L162 PolarHBondContact O-N 2.88Å; Q160-L162 PolarHBondContact O-N 3.32Å
163	S	83.4	Confident	75	Confident	48 Å²	48	102.5 Å²	102.5	34%	0.336	52%	0.52	S	S	.	.	S	Bend	trans	-57.1	156.7	163.2	-65.1	0	0	0	0	109.2	V159 Q160 E165	V159-S163 PolarHBondContact O-N 3.2Å; V159-S163 PolarHBondContact O-OG 3.08Å; Q160-S163 WeakPolarHBondContact O-CB 3.46Å; Q160-S163 PolarHBondContact O-N 3.47Å; S163-E165 PolarHBondContact O-N 3.12Å
164	P	73.8	Confident	72.8	Confident	94 Å²	94	101.4 Å²	101.4	61%	0.61	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.3	128	158.9	30.1	-30.5	0	0	0	105.9	N166	P164-N166 PolarHBondContact O-N 3.27Å
165	E	69.5	Low	70.5	Confident	155 Å²	155	103.8 Å²	103.8	72%	0.724	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-53.5	132	154.8	-164.3	77.1	-135.7	0	0	104.7	S163 D167	S163-E165 PolarHBondContact O-N 3.12Å; E165-D167 PolarHBondContact O-N 2.95Å
166	N	57.6	Low	68.2	Low	127 Å²	127	108.9 Å²	108.9	68%	0.679	57%	0.568	S	S	*	*			trans	-79.2	62.8	167.5	-164.8	112.1	0	0	0	107.1	P164 N168	P164-N166 PolarHBondContact O-N 3.27Å; N166-N168 PolarHBondContact ND2-OD1 2.97Å; N166-N168 PolarHBondContact O-N 3.3Å; N166-N168 VanDerWaalsContact O-N 3.11Å
167	D	55.2	Low	66	Low	116 Å²	116	112.3 Å²	112.3	62%	0.62	58%	0.584	S	S	*	*			trans	-41.5	117	133.9	-68.8	-41.8	0	0	0	104.7	E165 D169	E165-D167 PolarHBondContact O-N 2.95Å; D167-D169 PolarHBondContact O-N 2.8Å
168	N	55.3	Low	63.6	Low	118 Å²	118	114.3 Å²	114.3	63%	0.631	60%	0.602	S	S	*	*			trans	-65.1	98.4	152	-53.4	-60.9	0	0	0	102	N166 D170	N166-N168 PolarHBondContact ND2-OD1 2.97Å; N166-N168 PolarHBondContact O-N 3.3Å; N166-N168 VanDerWaalsContact O-N 3.11Å; N168-D170 WeakPolarHBondContact CB-OD1 3.42Å; N168-D170 PolarHBondContact O-N 3.09Å
169	D	54.4	Low	61.1	Low	133 Å²	133	113.7 Å²	113.7	71%	0.711	61%	0.607	S	S	*	*			trans	-54.3	90.5	145.8	-82.6	-39.6	0	0	0	103.2	D167 D171	D167-D169 PolarHBondContact O-N 2.8Å; D169-D171 PolarHBondContact O-N 3.44Å
170	D	52.6	Low	58.7	Low	124 Å²	124	120.6 Å²	120.6	66%	0.663	64%	0.637	S	S	*	*			trans	-66.8	60.1	157.9	-67.9	-28	0	0	0	106	N168 E172	N168-D170 WeakPolarHBondContact CB-OD1 3.42Å; N168-D170 PolarHBondContact O-N 3.09Å; D170-E172 HydrophobicContact CB-CG 4.29Å; D170-E172 PolarHBondContact O-N 2.88Å
171	D	52.8	Low	56.4	Low	133 Å²	133	123 Å²	123	71%	0.711	65%	0.646	S	S	*	*			trans	-55.7	57.6	132.6	-71.4	-27	0	0	0	108	D169 D173	D169-D171 PolarHBondContact O-N 3.44Å; D171-D173 PolarHBondContact O-N 3.21Å
172	E	53.2	Low	54	Low	153 Å²	153	121 Å²	121	72%	0.715	65%	0.646	S	S	*	*				-46.9	63.9	116.7	-63.2	-78.2	155.7	0	0	108.1	D170 V174	D170-E172 HydrophobicContact CB-CG 4.29Å; D170-E172 PolarHBondContact O-N 2.88Å; E172-V174 WeakPolarHBondContact O-CG2 3.45Å; E172-V174 PolarHBondContact O-N 3.41Å
173	D	50	Low	51.5	Low	123 Å²	123	127.8 Å²	127.8	66%	0.658	68%	0.677	S	S	*	*			trans	-47	102.9	150.2	-153.3	3	0	0	0	102.5	D171 Q175	D171-D173 PolarHBondContact O-N 3.21Å; D173-Q175 PolarHBondContact O-N 2.88Å
174	V	47.9	Very low	49.3	Very low	114 Å²	114	133.8 Å²	133.8	69%	0.691	70%	0.697	S	S	*	*			trans	-75.3	65.3	-172	-167.8	0	0	0	0	108.2	E172 V176	E172-V174 WeakPolarHBondContact O-CG2 3.45Å; E172-V174 PolarHBondContact O-N 3.41Å; V174-V176 HydrophobicContact CG1-CG2 3.95Å; V174-V176 PolarHBondContact O-N 3.47Å
175	Q	46.2	Very low	47.4	Very low	152 Å²	152	135.1 Å²	135.1	71%	0.71	71%	0.708	S	S	*	*			trans	-39.9	93.9	135.1	-66.9	-176.5	89.2	0	0	106.3	D173 E177	D173-Q175 PolarHBondContact O-N 2.88Å; Q175-E177 PolarHBondContact O-N 3.29Å
176	V	45.6	Very low	45.6	Very low	111 Å²	111	132.2 Å²	132.2	67%	0.673	71%	0.705	S	S	*	*			trans	-67.7	70.9	157.9	-173.2	0	0	0	0	105.4	V174 V178	V174-V176 HydrophobicContact CG1-CG2 3.95Å; V174-V176 PolarHBondContact O-N 3.47Å; V176-V178 HydrophobicContact CG1-CG2 4.18Å; V176-V178 WeakPolarHBondContact O-CG2 3.48Å; V176-V178 PolarHBondContact O-N 3.49Å
177	E	44.6	Very low	44.4	Very low	153 Å²	153	131 Å²	131	72%	0.715	71%	0.713	S	S	*	*			trans	-49.3	100	154.8	-91.4	-76.9	101.7	0	0	104.5	Q175 A179	Q175-E177 PolarHBondContact O-N 3.29Å; E177-A179 PolarHBondContact O-N 2.94Å
178	V	43.2	Very low	43.6	Very low	126 Å²	126	131.1 Å²	131.1	76%	0.764	72%	0.72	S	S	*	*			trans	-71.9	77.4	176.5	-179.7	0	0	0	0	105.4	V176 E180	V176-V178 HydrophobicContact CG1-CG2 4.18Å; V176-V178 WeakPolarHBondContact O-CG2 3.48Å; V176-V178 PolarHBondContact O-N 3.49Å; V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 PolarHBondContact O-N 2.95Å
179	A	40	Very low	42.9	Very low	62 Å²	62	136.7 Å²	136.7	51%	0.512	73%	0.732	S	S	.	*			trans	-66.2	92.3	-170.7	0	0	0	0	0	108.6	E177 K181	E177-A179 PolarHBondContact O-N 2.94Å; A179-K181 HydrophobicContact CB-CG 4.43Å; A179-K181 PolarHBondContact O-N 3.4Å
180	E	40.9	Very low	41.9	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	74%	0.74	S	S	*	*			trans	-58.1	89	161.8	-80.9	-147	110	0	0	107.7	V178 V182	V178-E180 VanDerWaalsContact C-N 3.3Å; V178-E180 PolarHBondContact O-N 2.95Å; E180-V182 HydrophobicContact CB-CG2 4.05Å; E180-V182 PolarHBondContact O-N 3.17Å
181	K	40.6	Very low	41.2	Very low	185 Å²	185	141.5 Å²	141.5	80%	0.804	75%	0.748	S	S	*	*			trans	-72.8	69.2	174.3	-71.6	178.1	-177.5	178.2	0	108.8	A179 Q183	A179-K181 HydrophobicContact CB-CG 4.43Å; A179-K181 PolarHBondContact O-N 3.4Å; K181-Q183 PolarHBondContact O-N 2.59Å
182	V	39	Very low	40.3	Very low	106 Å²	106	144.1 Å²	144.1	64%	0.642	76%	0.756	S	S	*	*			trans	-71.6	63	170.8	-169.6	0	0	0	0	108.8	E180 K184	E180-V182 HydrophobicContact CB-CG2 4.05Å; E180-V182 PolarHBondContact O-N 3.17Å; V182-K184 PolarHBondContact O-N 2.85Å
183	Q	35.7	Very low	39.3	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	76%	0.759	S	S	*	*			trans	-78.2	67.6	-179.1	-162.7	174.2	42.6	0	0	109.7	K181	K181-Q183 PolarHBondContact O-N 2.59Å
184	K	37.7	Very low	38.7	Very low	173 Å²	173	144 Å²	144	75%	0.752	77%	0.765	S	S	*	*			trans	-124.5	39.3	-179.1	-80.1	-175	174.9	173.2	0	113.2	V182 S186	V182-K184 PolarHBondContact O-N 2.85Å; K184-S186 PolarHBondContact O-N 3.04Å
185	S	33.8	Very low	38	Very low	123 Å²	123	145.3 Å²	145.3	86%	0.86	76%	0.764	S	S	*	*			trans	-70.7	71.8	159.9	58	0	0	0	0	109.9
186	S	30.6	Very low	37.7	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	77%	0.773	S	S	*	*			trans	-108	130.7	-168.1	-60.2	0	0	0	0	113.8	K184	K184-S186 PolarHBondContact O-N 3.04Å
187	A	32.6	Very low	37.4	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	78%	0.778	S	S	*	*			trans	75.7	145.9	166.6	0	0	0	0	0	118.4
188	P	39.3	Very low	36.9	Very low	119 Å²	119	151.5 Å²	151.5	77%	0.773	78%	0.783	S	S	*	*			trans	-107.5	153.8	-161.5	14.4	8.5	0	0	0	113.4
189	R	40.6	Very low	36.5	Very low	235 Å²	235	150.4 Å²	150.4	89%	0.887	78%	0.776	S	S	*	*			trans	-91.4	101.9	168.6	-70.6	-174.5	177.8	-178.5	0.9	110.4	M191	R189-M191 PolarHBondContact O-N 3.33Å
190	E	32.5	Very low	36.8	Very low	188 Å²	188	153.8 Å²	153.8	88%	0.879	79%	0.793	S	S	*	*			trans	-62.1	114.7	166.1	-72.1	-173.5	96.1	0	0	110.7
191	M	38.7	Very low	36.2	Very low	169 Å²	169	153.9 Å²	153.9	83%	0.833	79%	0.793	S	S	*	*			trans	-136.5	87.2	161.4	-71.4	-163	-174.5	0	0	111.5	R189	R189-M191 PolarHBondContact O-N 3.33Å
192	Q	32.8	Very low	35.9	Very low	188 Å²	188	152.8 Å²	152.8	88%	0.879	80%	0.796	S	S	*	*			trans	43.8	78.1	139.5	-61.9	-175.8	-16.2	0	0	118.1	A194	Q192-A194 PolarHBondContact O-N 3.38Å
193	K	34	Very low	35.9	Very low	177 Å²	177	152.9 Å²	152.9	77%	0.77	80%	0.802	S	S	*	*				33.5	80.5	117.7	-165.7	-178.9	-179.1	-177.5	0	116	E195	K193-E195 VanDerWaalsContact CE-OE1 3.29Å; K193-E195 WeakPolarHBondContact CE-OE1 3.28Å; K193-E195 IonicContact NZ-OE1 3.55Å; K193-E195 PolarHBondContact NZ-OE1 2.9Å
194	A	35.8	Very low	35.9	Very low	96 Å²	96	152.7 Å²	152.7	79%	0.793	81%	0.806	S	S	*	*			trans	-88.2	123.7	155	0	0	0	0	0	109	Q192	Q192-A194 PolarHBondContact O-N 3.38Å
195	E	34.8	Very low	36.1	Very low	142 Å²	142	152.3 Å²	152.3	66%	0.664	81%	0.806	S	S	*	*			trans	-90.8	107.6	167.8	-70.9	-175.8	-176.5	0	0	108.9	K193	K193-E195 VanDerWaalsContact CE-OE1 3.29Å; K193-E195 WeakPolarHBondContact CE-OE1 3.28Å; K193-E195 IonicContact NZ-OE1 3.55Å; K193-E195 PolarHBondContact NZ-OE1 2.9Å
196	E	38.5	Very low	36.2	Very low	194 Å²	194	155.6 Å²	155.6	91%	0.907	81%	0.808	S	S	*	*			trans	-117.4	153.3	156.5	-68.9	-154.7	125.9	0	0	110
197	K	40.5	Very low	36.7	Very low	180 Å²	180	157 Å²	157	78%	0.783	82%	0.816	S	S	*	*			trans	-97.1	155	-158.2	-76.1	-72.4	-178.3	-175.7	0	113.6
198	E	34.4	Very low	36.8	Very low	172 Å²	172	156.8 Å²	156.8	80%	0.804	82%	0.815	S	S	*	*			trans	-58.9	140.9	175.7	-67.5	160.8	110.8	0	0	113.2
199	V	33.4	Very low	36.5	Very low	103 Å²	103	158.4 Å²	158.4	62%	0.624	82%	0.815	S	S	*	*			trans	44.5	104.4	135.2	-172.8	0	0	0	0	118.1	E201	V199-E201 HydrophobicContact CG1-CB 3.89Å; V199-E201 HydrophobicContact CG1-CG 3.81Å
200	P	46	Very low	36.2	Very low	134 Å²	134	153 Å²	153	87%	0.87	81%	0.809	S	S	*	*			trans	-100.3	76.1	154	35.8	-27.5	0	0	0	111.1
201	E	30	Very low	36.1	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	81%	0.808	S	S	*	*			trans	-90.5	95.6	164.7	-83.6	-176.8	-179.9	0	0	109.6	V199	V199-E201 HydrophobicContact CG1-CB 3.89Å; V199-E201 HydrophobicContact CG1-CG 3.81Å
202	D	32.4	Very low	36.1	Very low	161 Å²	161	152.4 Å²	152.4	86%	0.861	81%	0.809	S	S	*	*			trans	-167.5	94.9	166.7	-116.6	-22.6	0	0	0	110.9
203	S	39.7	Very low	35.7	Very low	109 Å²	109	151 Å²	151	76%	0.762	81%	0.808	S	S	*	*			trans	-169.3	52.4	162.9	5	0	0	0	0	112.6	E205	S203-E205 VanDerWaalsContact C-N 3.34Å; S203-E205 PolarHBondContact O-N 3.37Å; S203-E205 VanDerWaalsContact O-N 3.1Å
204	L	35.8	Very low	35.6	Very low	176 Å²	176	146.9 Å²	146.9	92%	0.921	80%	0.802	S	S	*	*			trans	-80.6	78.3	170.6	-73.3	175	0	0	0	110.9	E206	L204-E206 PolarHBondContact O-N 3.14Å
205	E	41.3	Very low	35.6	Very low	164 Å²	164	151.4 Å²	151.4	77%	0.766	81%	0.806	S	S	*	*			trans	-95.4	92.8	179.6	-134.2	76.4	-145.3	0	0	111.6	S203 C207	S203-E205 VanDerWaalsContact C-N 3.34Å; S203-E205 PolarHBondContact O-N 3.37Å; S203-E205 VanDerWaalsContact O-N 3.1Å; E205-C207 PolarHBondContact O-N 3.01Å
206	E	36.3	Very low	35.3	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	81%	0.812	S	S	*	*			trans	-65.7	126.1	171.9	-64.6	-172.2	127.4	0	0	111	L204	L204-E206 PolarHBondContact O-N 3.14Å
207	C	41.4	Very low	35.7	Very low	122 Å²	122	145 Å²	145	82%	0.824	81%	0.808	S	S	*	*			trans	-127	112.5	173.4	-85.5	0	0	0	0	111	E205	E205-C207 PolarHBondContact O-N 3.01Å
208	A	34.3	Very low	35.2	Very low	97 Å²	97	147.5 Å²	147.5	80%	0.802	81%	0.814	S	S	*	*			trans	-74	149.9	-166.1	0	0	0	0	0	115	T210	A208-T210 PolarHBondContact O-N 2.81Å
209	I	34.2	Very low	35	Very low	153 Å²	153	144.2 Å²	144.2	79%	0.785	80%	0.802	S	S	*	*			trans	-72.7	108.2	179.7	-58.2	170.2	0	0	0	110.5
210	T	33.3	Very low	35.2	Very low	123 Å²	123	145 Å²	145	76%	0.755	81%	0.812	S	S	*	*			trans	-92.6	109.5	170	54	0	0	0	0	111.4	A208 S212	A208-T210 PolarHBondContact O-N 2.81Å; T210-S212 PolarHBondContact O-N 2.95Å
211	Y	31.5	Very low	34.5	Very low	221 Å²	221	145 Å²	145	87%	0.867	81%	0.805	S	S	*	*			trans	-58.1	131.5	172.5	-79.4	-102.5	0	0	0	111.5
212	S	37.4	Very low	34.6	Very low	122 Å²	122	143.3 Å²	143.3	85%	0.853	80%	0.797	S	S	*	*			trans	-129.4	132.5	167	-73.4	0	0	0	0	109.2	T210	T210-S212 PolarHBondContact O-N 2.95Å
213	N	25.5	Very low	34.9	Very low	158 Å²	158	141.5 Å²	141.5	85%	0.845	79%	0.794	S	S	*	*			trans	-131.2	162.5	-172.8	-163.1	-6.7	0	0	0	110.2
214	S	31.1	Very low	34.5	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	79%	0.787	S	S	*	*			trans	69.5	108.1	-179	73.1	0	0	0	0	117.5
215	H	36.2	Very low	34.5	Very low	190 Å²	190	146.1 Å²	146.1	88%	0.88	79%	0.788	S	S	*	*				-171.3	125.1	107.6	-95.6	-53.3	0	0	0	111.1
216	G	28.4	Very low	34.1	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	79%	0.791	S	S	*	*			trans	-108.5	126.3	175	0	0	0	0	0	112.2
217	P	46.7	Very low	34.2	Very low	125 Å²	125	144.4 Å²	144.4	81%	0.812	79%	0.786	S	S	*	*			trans	-111.9	92.7	179.7	36.5	-27.1	0	0	0	114.7
218	Y	30	Very low	33.8	Very low	232 Å²	232	147.6 Å²	147.6	91%	0.91	79%	0.786	S	S	*	*			trans	65.5	164.3	147.2	-141.1	-106	0	0	0	121.9
219	D	30.1	Very low	34.4	Very low	103 Å²	103	150.4 Å²	150.4	55%	0.551	79%	0.785	S	S	*	*			trans	-92.4	159.9	-166.7	-179.2	20.9	0	0	0	113.2	N221	D219-N221 VanDerWaalsContact CG-ND2 3.29Å; D219-N221 PolarHBondContact OD1-ND2 3.01Å; D219-N221 PolarHBondContact OD2-ND2 3.04Å
220	S	38.4	Very low	34.2	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	78%	0.781	S	S	*	*			trans	-148.5	114.6	172.3	-83.7	0	0	0	0	111.9
221	N	31.3	Very low	34.2	Very low	136 Å²	136	151.7 Å²	151.7	73%	0.727	79%	0.785	S	S	*	*			trans	-94.5	145.7	-169.5	-82.4	-101.3	0	0	0	114.5	D219	D219-N221 VanDerWaalsContact CG-ND2 3.29Å; D219-N221 PolarHBondContact OD1-ND2 3.01Å; D219-N221 PolarHBondContact OD2-ND2 3.04Å
222	Q	32.3	Very low	34.4	Very low	136 Å²	136	150.1 Å²	150.1	64%	0.636	79%	0.785	S	S	*	*			trans	-50.2	145	171.5	178.9	-151.6	87.3	0	0	115	H224	Q222-H224 PolarHBondContact OE1-CD2 3.31Å; Q222-H224 VanDerWaalsContact OE1-CG 3.32Å; Q222-H224 PolarHBondContact OE1-NE2 3.44Å
223	P	38.9	Very low	34.2	Very low	123 Å²	123	151.8 Å²	151.8	80%	0.799	78%	0.78	S	S	*	*			trans	-112.2	110.4	155.2	34.4	-24.3	0	0	0	112.5
224	H	30.2	Very low	34.8	Very low	137 Å²	137	150.6 Å²	150.6	63%	0.634	77%	0.774	S	S	*	*			trans	-71.3	131.3	170.7	-92.8	-40.4	0	0	0	112.7	Q222	Q222-H224 PolarHBondContact OE1-CD2 3.31Å; Q222-H224 VanDerWaalsContact OE1-CG 3.32Å; Q222-H224 PolarHBondContact OE1-NE2 3.44Å
225	R	36.4	Very low	34.9	Very low	246 Å²	246	153.5 Å²	153.5	93%	0.928	78%	0.775	S	S	*	*			trans	-139	141.1	147.1	-70.4	-164.7	175.4	-165.8	-1.6	110.6
226	K	31.8	Very low	34.9	Very low	191 Å²	191	151.2 Å²	151.2	83%	0.83	77%	0.774	S	S	*	*			trans	-126.9	137.4	172.7	-66.3	-179.2	179.1	-179.2	0	107.9
227	T	39	Very low	35.2	Very low	129 Å²	129	154.5 Å²	154.5	79%	0.791	77%	0.773	S	S	*	*			trans	-124.1	129	170.8	-54.1	0	0	0	0	107.8	I229	T227-I229 HydrophobicContact CG2-CG1 4.39Å
228	K	32.9	Very low	34.7	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	77%	0.774	S	S	*	*			trans	-125.7	120.6	175.9	-178.5	-179.1	178.5	-178.7	0	107.5
229	I	46.1	Very low	34.6	Very low	155 Å²	155	149.2 Å²	149.2	80%	0.795	77%	0.768	S	S	*	*			trans	-111.2	152.1	172.5	-66.6	175.6	0	0	0	107.3	T227	T227-I229 HydrophobicContact CG2-CG1 4.39Å
230	T	31.4	Very low	34.5	Very low	114 Å²	114	151.6 Å²	151.6	70%	0.699	78%	0.78	S	S	*	*			trans	-117.2	158.5	-169.2	46.8	0	0	0	0	111.9
231	F	31.9	Very low	34.6	Very low	190 Å²	190	154 Å²	154	83%	0.833	78%	0.781	S	S	*	*			trans	-59.3	151.4	167.5	-86.5	-121	0	0	0	111.8
232	E	36.9	Very low	34.4	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	78%	0.776	S	S	*	*			trans	-144.6	147.1	149.8	-93.8	-61.6	172.7	0	0	107.5
233	E	33.8	Very low	34.5	Very low	157 Å²	157	149.9 Å²	149.9	73%	0.734	79%	0.788	S	S	*	*			trans	-148	95.8	-163.7	-175.3	-167.7	163.8	0	0	111.8
234	D	36.7	Very low	34.1	Very low	134 Å²	134	149.7 Å²	149.7	72%	0.717	79%	0.79	S	S	*	*			trans	-150.6	86.1	174.3	-144.7	23.6	0	0	0	115.6
235	K	33.3	Very low	34.2	Very low	153 Å²	153	148.8 Å²	148.8	67%	0.665	80%	0.799	S	S	*	*				37.7	119	114.9	-175.6	162	59.6	-73.2	0	119.8
236	V	36.6	Very low	33.9	Very low	142 Å²	142	144.9 Å²	144.9	86%	0.861	79%	0.79	S	S	*	*				-163.3	130.6	129.8	-98.7	0	0	0	0	111.3
237	D	33.9	Very low	33.9	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	79%	0.789	S	S	*	*			trans	-85.1	146.7	170.4	-64.1	-76	0	0	0	112.4
238	S	37.4	Very low	33.6	Very low	120 Å²	120	142.2 Å²	142.2	84%	0.839	78%	0.781	S	S	*	*			trans	-158.6	63.2	167.8	-75.4	0	0	0	0	113.8
239	T	26.9	Very low	33.7	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	78%	0.78	S	S	*	*			trans	21.1	113.2	134.4	-47.2	0	0	0	0	119.7
240	L	28.7	Very low	33.1	Very low	152 Å²	152	145.6 Å²	145.6	80%	0.796	79%	0.787	S	S	*	*			trans	66.7	98.1	135.7	-158.6	166.9	0	0	0	119.4
241	I	39.5	Very low	33.1	Very low	170 Å²	170	147 Å²	147	87%	0.872	79%	0.791	S	S	*	*				-135.7	125	130	-58.9	-176.7	0	0	0	107.5
242	G	27.7	Very low	33.3	Very low	60 Å²	60	142.7 Å²	142.7	62%	0.619	79%	0.79	S	S	*	*			trans	-118.2	140.8	170.4	0	0	0	0	0	111.1
243	S	33.8	Very low	33.1	Very low	126 Å²	126	138.4 Å²	138.4	88%	0.881	78%	0.776	S	S	*	*			trans	-163.2	137.9	164	-80.4	0	0	0	0	109.9
244	S	31.9	Very low	33.2	Very low	119 Å²	119	139.5 Å²	139.5	83%	0.832	78%	0.781	S	S	*	*			trans	-91.8	142.8	175.9	172.6	0	0	0	0	111
245	S	31.1	Very low	33.2	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	78%	0.779	S	S	*	*			trans	-168.5	147.6	135.4	15.7	0	0	0	0	111.4
246	H	29.8	Very low	33.4	Very low	163 Å²	163	138.9 Å²	138.9	76%	0.755	78%	0.782	S	S	*	*			trans	-100	126.5	179.9	165.1	-67.1	0	0	0	110.1
247	V	33.4	Very low	33.7	Very low	133 Å²	133	136.3 Å²	136.3	81%	0.806	77%	0.768	S	S	*	*			trans	-141.2	144.1	166.1	162.2	0	0	0	0	107.9
248	E	31.1	Very low	33.5	Very low	132 Å²	132	137.4 Å²	137.4	62%	0.617	77%	0.769	S	S	*	*			trans	-92	-162.3	-165.5	-41.6	140.4	120.2	0	0	113.3
249	W	35.1	Very low	33.2	Very low	214 Å²	214	138.5 Å²	138.5	81%	0.811	77%	0.765	S	S	*	*			trans	99.9	94.3	161.3	-58.3	93.1	0	0	0	116.5
250	E	34.1	Very low	33.5	Very low	202 Å²	202	140.5 Å²	140.5	94%	0.944	77%	0.766	S	S	*	*			trans	-80.3	127.9	160	-59.6	-172.9	137.6	0	0	109.3
251	D	32.2	Very low	33.9	Very low	144 Å²	144	138.5 Å²	138.5	77%	0.77	76%	0.764	S	S	*	*			trans	-140.8	86.3	-176.2	179.4	26.5	0	0	0	110.9	V253	D251-V253 VanDerWaalsContact OD1-CG2 3.31Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.46Å
252	A	35.9	Very low	33.7	Very low	99 Å²	99	137.1 Å²	137.1	82%	0.818	76%	0.759	S	S	*	*			trans	-166.5	85.9	171.5	0	0	0	0	0	109.8
253	V	31.8	Very low	34.1	Very low	97 Å²	97	141.4 Å²	141.4	59%	0.588	77%	0.767	S	S	*	*				66.7	85	58.4	-170.2	0	0	0	0	114.5	D251 I255	D251-V253 VanDerWaalsContact OD1-CG2 3.31Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.46Å; V253-I255 HydrophobicContact CG1-CD1 4.09Å
254	H	35.7	Very low	34.2	Very low	179 Å²	179	143.2 Å²	143.2	83%	0.829	76%	0.762	S	S	*	*			trans	-157.6	133.8	139.6	-81	-32.8	0	0	0	108.2
255	I	37.2	Very low	34.5	Very low	131 Å²	131	145.6 Å²	145.6	67%	0.672	76%	0.76	S	S	*	*			cis	94.5	125.2	31.8	-69.3	170	0	0	0	112.2	V253	V253-I255 HydrophobicContact CG1-CD1 4.09Å
256	I	37.7	Very low	34.8	Very low	144 Å²	144	147.6 Å²	147.6	74%	0.738	76%	0.756	S	S	*	*			cis	179.9	170.5	-12.7	-132.7	-179.9	0	0	0	107.7
257	P	43.5	Very low	35.1	Very low	87 Å²	87	145.3 Å²	145.3	57%	0.565	75%	0.746	S	S	*	*			cis	-138.7	-173.5	-16.9	45.6	-27.9	0	0	0	115.5
258	E	28.4	Very low	35.2	Very low	169 Å²	169	147.6 Å²	147.6	79%	0.79	75%	0.748	S	S	*	*			trans	18.6	138.4	133.5	-56.7	152.6	171.4	0	0	123.8
259	N	31	Very low	35.1	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	75%	0.75	S	S	*	*				-177.1	96.2	126.4	-111.2	123.3	0	0	0	109.7
260	E	34.8	Very low	34.8	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	75%	0.747	S	S	*	*				70.2	140.6	95.3	-77.9	-170.2	143.6	0	0	118.2
261	S	36.1	Very low	34.9	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	74%	0.739	S	S	*	*			trans	83.3	141.5	170.9	73.3	0	0	0	0	119.1
262	D	34.9	Very low	34.7	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	74%	0.742	S	S	*	*			cis	176.9	164.9	-34.2	-102.7	-30.2	0	0	0	107
263	D	37.2	Very low	34.7	Very low	150 Å²	150	138 Å²	138	80%	0.802	74%	0.739	S	S	*	*			trans	62.9	144.6	165.8	-57.2	-33.1	0	0	0	118.6
264	E	34.8	Very low	35.1	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	74%	0.743	S	S	*	*			cis	170.1	176.2	-33.9	-104.2	-77.1	-163.8	0	0	107.2
265	E	38.5	Very low	34.7	Very low	169 Å²	169	140.8 Å²	140.8	79%	0.79	75%	0.745	S	S	*	*			trans	66.7	145.2	166	-66.3	-171	-179.5	0	0	118.7
266	E	37.3	Very low	34.3	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	75%	0.751	S	S	*	*			cis	-146.4	144.2	-18	-88.5	-127.2	108.6	0	0	106.5
267	E	36.2	Very low	33.9	Very low	116 Å²	116	142.3 Å²	142.3	54%	0.542	76%	0.755	S	S	.	*				46.4	113.1	82.7	-89.9	-84.2	-136.1	0	0	116.2	K269	E267-K269 WeakPolarHBondContact OE1-CE 3.26Å; E267-K269 IonicContact OE1-NZ 2.69Å; E267-K269 PolarHBondContact OE1-NZ 3.31Å; E267-K269 WeakPolarHBondContact OE2-CE 3.49Å; E267-K269 IonicContact OE2-NZ 3.64Å
268	E	35.1	Very low	33.4	Very low	181 Å²	181	146.4 Å²	146.4	85%	0.846	77%	0.767	S	S	*	*				-176	99.1	116	-169.7	165.2	-147.7	0	0	114.1
269	K	29.7	Very low	33.6	Very low	151 Å²	151	147.6 Å²	147.6	66%	0.657	77%	0.772	S	S	*	*				35	123.8	128.6	-43.3	-175.2	-169.8	-177	0	120.3	E267	E267-K269 WeakPolarHBondContact OE1-CE 3.26Å; E267-K269 IonicContact OE1-NZ 2.69Å; E267-K269 PolarHBondContact OE1-NZ 3.31Å; E267-K269 WeakPolarHBondContact OE2-CE 3.49Å; E267-K269 IonicContact OE2-NZ 3.64Å
270	G	28.7	Very low	33.7	Very low	73 Å²	73	146 Å²	146	75%	0.753	77%	0.772	S	S	*	*			trans	-93.4	-169.9	164.7	0	0	0	0	0	114.1
271	P	35.9	Very low	33.3	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	78%	0.778	S	S	*	*			trans	-138.8	125.7	161.2	35.8	-19.1	0	0	0	117.3
272	V	27.9	Very low	33.1	Very low	138 Å²	138	150.5 Å²	150.5	84%	0.836	78%	0.782	S	S	*	*			trans	58.9	123.7	130.3	-174.8	0	0	0	0	120.9
273	S	37.1	Very low	32.8	Very low	106 Å²	106	152.4 Å²	152.4	74%	0.741	79%	0.786	S	S	*	*			trans	-90.1	133.9	163.5	170.5	0	0	0	0	113.5
274	P	39.9	Very low	32.6	Very low	106 Å²	106	152.6 Å²	152.6	69%	0.688	78%	0.782	S	S	*	*			trans	-97.8	119	156.9	33.8	-25.1	0	0	0	110.4
275	R	26.8	Very low	32.6	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	79%	0.786	S	S	*	*				53.8	103.8	93.9	-64.9	-178.6	179.2	178.9	0.2	113.2
276	N	28.8	Very low	32.4	Very low	147 Å²	147	147.5 Å²	147.5	79%	0.786	78%	0.775	S	S	*	*				76.4	146.1	65.1	-156.3	-36.5	0	0	0	112.5
277	L	28.5	Very low	32	Very low	160 Å²	160	147.2 Å²	147.2	84%	0.838	77%	0.773	S	S	*	*			trans	70.6	142.1	-160.1	-43.4	178.9	0	0	0	112.4
278	Q	33.7	Very low	31.6	Very low	173 Å²	173	148.3 Å²	148.3	81%	0.808	78%	0.779	S	S	*	*			cis	-148.2	122.5	24.6	177.3	171.3	-8.7	0	0	112
279	E	32.1	Very low	31.4	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	77%	0.773	S	S	*	*			trans	-75.6	137.3	160.3	-65.3	172.3	147.4	0	0	108.3
280	S	33.2	Very low	31.6	Very low	109 Å²	109	148 Å²	148	76%	0.762	78%	0.781	S	S	*	*			trans	-117.8	113	-179	58.3	0	0	0	0	111.2
281	E	27.5	Very low	31.7	Very low	193 Å²	193	150.7 Å²	150.7	90%	0.902	78%	0.779	S	S	*	*			trans	-79.8	133.3	173.7	-55.7	167.3	107.6	0	0	111
282	E	32.2	Very low	31.5	Very low	181 Å²	181	154 Å²	154	85%	0.846	78%	0.784	S	S	*	*			trans	-163.9	118.4	153.5	-106.6	165.4	-160.5	0	0	105.1
283	E	28.9	Very low	31.8	Very low	181 Å²	181	150.7 Å²	150.7	85%	0.846	78%	0.777	S	S	*	*				54.7	135.8	88.7	-89.3	-171.8	149.4	0	0	114.2
284	E	32.5	Very low	31.3	Very low	153 Å²	153	155.6 Å²	155.6	72%	0.715	78%	0.781	S	S	*	*			cis	-150.2	154.7	10.7	-170.7	-174	179.5	0	0	109.9
285	V	33.5	Very low	31.2	Very low	141 Å²	141	156.1 Å²	156.1	86%	0.855	79%	0.788	S	S	*	*			trans	-120	119.1	169.2	174.8	0	0	0	0	110.8
286	P	34.9	Very low	31.2	Very low	85 Å²	85	150.7 Å²	150.7	55%	0.552	78%	0.78	S	S	*	*			trans	-138.1	126.2	150.7	24.4	-3.7	0	0	0	115.4
287	Q	29.2	Very low	31.2	Very low	154 Å²	154	151.1 Å²	151.1	72%	0.72	78%	0.782	S	S	*	*			trans	71.8	115.7	138.8	-59.8	-160.1	-92.5	0	0	119.2
288	E	27.4	Very low	31.1	Very low	139 Å²	139	148.4 Å²	148.4	65%	0.65	78%	0.776	S	S	*	*				77.5	87.2	72.7	-71.8	-178.2	136.6	0	0	114.9
289	S	31	Very low	31	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	78%	0.775	S	S	*	*				27.8	107.6	128.8	59.6	0	0	0	0	119.6
290	W	34.4	Very low	31.1	Very low	221 Å²	221	143.8 Å²	143.8	84%	0.837	77%	0.768	S	S	*	*			trans	-144.1	134	155.1	-74.7	96.9	0	0	0	113.8
291	D	29.6	Very low	31	Very low	130 Å²	130	143.8 Å²	143.8	70%	0.695	77%	0.765	S	S	*	*			trans	46.9	101.5	150.4	-61.1	-4.7	0	0	0	121.8	G293	D291-G293 PolarHBondContact O-N 3.29Å
292	E	33.4	Very low	31.1	Very low	190 Å²	190	143 Å²	143	89%	0.888	76%	0.762	S	S	*	*				2.6	98.8	123.6	-60	177.9	161.7	0	0	116.5
293	G	33	Very low	31.2	Very low	68 Å²	68	143.5 Å²	143.5	70%	0.701	77%	0.766	S	S	*	*			trans	-125.3	93	-179.2	0	0	0	0	0	114	D291 S295	D291-G293 PolarHBondContact O-N 3.29Å; G293-S295 PolarHBondContact O-N 3.26Å
294	Y	27.6	Very low	31.2	Very low	209 Å²	209	142.9 Å²	142.9	82%	0.82	77%	0.768	S	S	*	*			trans	-39.7	100.5	-179.3	-67.9	-94.7	0	0	0	116.8	T296	Y294-T296 PolarHBondContact O-N 3.22Å
295	S	36.6	Very low	30.9	Very low	118 Å²	118	140 Å²	140	83%	0.825	77%	0.77	S	S	*	*			trans	-79.8	56	158.1	-76.1	0	0	0	0	111.7	G293 L297	G293-S295 PolarHBondContact O-N 3.26Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-L297 PolarHBondContact O-N 3.34Å; S295-L297 VanDerWaalsContact O-N 3.09Å
296	T	27.6	Very low	30.8	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	77%	0.766	S	S	*	*			trans	-81.9	80	172.8	-54.6	0	0	0	0	109.9	Y294	Y294-T296 PolarHBondContact O-N 3.22Å
297	L	28.4	Very low	30.4	Very low	156 Å²	156	145.9 Å²	145.9	82%	0.817	78%	0.784	S	S	*	*			trans	-111.5	89.3	176.8	-91.6	165.3	0	0	0	112	S295	S295-L297 VanDerWaalsContact C-N 3.34Å; S295-L297 PolarHBondContact O-N 3.34Å; S295-L297 VanDerWaalsContact O-N 3.09Å
298	S	26.7	Very low	30.4	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	78%	0.783	S	S	*	*			trans	38.1	93.9	149.4	-59.6	0	0	0	0	118.9	P300	S298-P300 WeakPolarHBondContact O-CD 3.49Å
299	I	32.4	Very low	30.5	Very low	156 Å²	156	143.4 Å²	143.4	80%	0.8	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.5	144.1	-61.8	173.9	0	0	0	107.4	P301	I299-P301 WeakPolarHBondContact O-CD 3.36Å
300	P	33.3	Very low	30.5	Very low	115 Å²	115	147.7 Å²	147.7	75%	0.747	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-78.4	122	172.7	30.2	-31.6	0	0	0	110.7	S298	S298-P300 WeakPolarHBondContact O-CD 3.49Å
301	P	32.1	Very low	30.2	Very low	109 Å²	109	142.2 Å²	142.2	71%	0.708	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.8	165.2	174.8	-11.9	30	0	0	0	113	I299	I299-P301 WeakPolarHBondContact O-CD 3.36Å
302	E	28.5	Very low	30.2	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	78%	0.776	S	S	*	*			trans	59.7	101.9	154.3	-65.1	176	-170.6	0	0	118.8
303	M	33.5	Very low	30.1	Very low	190 Å²	190	136.5 Å²	136.5	94%	0.936	77%	0.766	S	S	*	*			trans	-132.4	62.9	146.3	-161.2	178	-63	0	0	111.3	A305	M303-A305 PolarHBondContact O-N 3.33Å
304	L	28.7	Very low	30.1	Very low	169 Å²	169	142.5 Å²	142.5	89%	0.885	77%	0.774	S	S	*	*			trans	-79.3	92.1	170.6	-73.7	173	0	0	0	110.9
305	A	27	Very low	30.4	Very low	92 Å²	92	140.2 Å²	140.2	76%	0.76	77%	0.77	S	S	*	*			trans	-165.9	114.3	161.5	0	0	0	0	0	114.4	M303	M303-A305 PolarHBondContact O-N 3.33Å
306	S	32.8	Very low	30	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	77%	0.768	S	S	*	*				-179.6	88.5	122.3	-179.5	0	0	0	0	111.1	Q308	S306-Q308 PolarHBondContact O-N 2.88Å
307	Y	24.9	Very low	30.4	Very low	239 Å²	239	142.1 Å²	142.1	94%	0.937	77%	0.774	S	S	*	*			trans	-88	98.1	178.3	-158.5	-90	0	0	0	110.4
308	Q	28.9	Very low	30.6	Very low	151 Å²	151	142.4 Å²	142.4	71%	0.706	77%	0.772	S	S	*	*			trans	-145.5	138.2	168.3	-71.7	-162.8	46.7	0	0	108.5	S306	S306-Q308 PolarHBondContact O-N 2.88Å
309	S	31.1	Very low	31.1	Very low	91 Å²	91	144.7 Å²	144.7	64%	0.636	77%	0.771	S	S	*	*			cis	-140.3	139	18.7	-87.1	0	0	0	0	114.8
310	Y	30	Very low	31.1	Very low	193 Å²	193	146.4 Å²	146.4	76%	0.757	78%	0.776	S	S	*	*			trans	33.5	107.8	132.8	-65.8	-84.3	0	0	0	119.5
311	S	28.5	Very low	30.8	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	77%	0.771	S	S	*	*				92.1	169.1	91.1	83.9	0	0	0	0	113.6
312	S	30.4	Very low	30.5	Very low	89 Å²	89	148.3 Å²	148.3	62%	0.622	77%	0.773	S	S	*	*			cis	-150.8	145	4.7	60.7	0	0	0	0	112.8
313	T	29.5	Very low	30.5	Very low	111 Å²	111	145.2 Å²	145.2	68%	0.681	77%	0.77	S	S	*	*			trans	36.6	107.7	135.2	-45.1	0	0	0	0	119.5
314	F	34.4	Very low	30.2	Very low	195 Å²	195	144.5 Å²	144.5	86%	0.855	77%	0.766	S	S	*	*			trans	-125.4	160.1	138.6	-91.6	-81.5	0	0	0	110.1
315	H	33.5	Very low	30.4	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.745	76%	0.76	S	S	*	*			trans	-78.7	157.2	-147.9	-58.3	-77.5	0	0	0	117
316	S	28.4	Very low	30.5	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	76%	0.762	S	S	*	*			trans	-70.7	134.1	158.4	53.9	0	0	0	0	112.1
317	L	36.4	Very low	30.7	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	76%	0.764	S	S	*	*			trans	-145.3	103.7	153.8	-156.5	76.7	0	0	0	104.8
318	E	31.6	Very low	30.9	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	76%	0.76	S	S	*	*				67.3	132.2	65.2	-160.5	60.1	-110	0	0	112	Q320	E318-Q320 PolarHBondContact O-N 3.44Å
319	E	36.8	Very low	30.9	Very low	151 Å²	151	137.1 Å²	137.1	71%	0.706	76%	0.759	S	S	*	*			trans	-74.6	113.2	-157.5	-59.8	-174.6	163.4	0	0	114.6	Q321	E319-Q321 PolarHBondContact OE2-NE2 3.46Å
320	Q	32.9	Very low	30.6	Very low	191 Å²	191	144.4 Å²	144.4	89%	0.893	77%	0.772	S	S	*	*			trans	-95.2	96.6	158.9	-173.5	90.1	88.5	0	0	109.7	E318	E318-Q320 PolarHBondContact O-N 3.44Å
321	Q	27.7	Very low	30.6	Very low	140 Å²	140	142.9 Å²	142.9	65%	0.654	77%	0.772	S	S	*	*			trans	-69.6	139.4	-179.2	-67.5	178	-2.1	0	0	114.3	E319	E319-Q321 PolarHBondContact OE2-NE2 3.46Å
322	V	25.5	Very low	30.7	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	77%	0.769	S	S	*	*			trans	74.5	152.4	133.8	169.4	0	0	0	0	119.4
323	C	27.5	Very low	30.3	Very low	113 Å²	113	154.1 Å²	154.1	76%	0.764	79%	0.785	S	S	*	*			trans	72	118.5	176	-77.4	0	0	0	0	116
324	M	28.7	Very low	30.5	Very low	174 Å²	174	154.3 Å²	154.3	86%	0.857	78%	0.781	S	S	*	*			cis	-145.6	145.3	2.7	-56.6	-176.3	-66.9	0	0	111.5
325	A	31.7	Very low	30.2	Very low	91 Å²	91	151.4 Å²	151.4	75%	0.752	77%	0.771	S	S	*	*			trans	-90.5	-178.6	150	0	0	0	0	0	109.1
326	V	30.5	Very low	30.3	Very low	132 Å²	132	150.7 Å²	150.7	80%	0.8	78%	0.777	S	S	*	*			trans	79.5	130	-173.5	-171.1	0	0	0	0	111.2
327	D	35.5	Very low	30.4	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	77%	0.771	S	S	*	*			cis	-139.7	172.5	10.3	-137.6	-27.7	0	0	0	114.6
328	I	28.8	Very low	30.3	Very low	165 Å²	165	152.3 Å²	152.3	85%	0.846	76%	0.763	S	S	*	*			trans	-102.7	122.8	-179.2	-62.6	173	0	0	0	112.3
329	G	28.6	Very low	30.3	Very low	67 Å²	67	150.2 Å²	150.2	69%	0.691	75%	0.754	S	S	*	*			trans	104.7	141.4	140.4	0	0	0	0	0	119.2
330	R	25.3	Very low	30.3	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	76%	0.76	S	S	*	*			trans	25.6	117.7	156.1	-50.4	-178.3	-164.4	-85.8	3.7	118.2
331	H	30	Very low	30.2	Very low	161 Å²	161	149 Å²	149	75%	0.745	75%	0.753	S	S	*	*				-167.9	163.6	99.6	-150.6	-95.8	0	0	0	113
332	R	31	Very low	30.4	Very low	182 Å²	182	151.4 Å²	151.4	69%	0.687	76%	0.764	S	S	*	*			trans	73.9	116.4	152.2	-117.6	160.6	-143.8	-63.7	-8.2	120.6	D334	R332-D334 WeakPolarHBondContact CD-OD2 3.3Å; R332-D334 VanDerWaalsContact CG-OD2 3.24Å; R332-D334 WeakPolarHBondContact CG-OD2 3.41Å; R332-D334 IonicContact NH1-OD1 3.86Å; R332-D334 IonicContact NH1-OD2 3.76Å
333	W	22.9	Very low	30.9	Very low	250 Å²	250	150 Å²	150	95%	0.947	77%	0.766	S	S	*	*			trans	-88.1	124.6	159	-172.2	-75.6	0	0	0	108.3
334	D	32.2	Very low	31.2	Very low	114 Å²	114	151.6 Å²	151.6	61%	0.61	77%	0.772	S	S	*	*			trans	-141.5	120.6	178	-87	-57.3	0	0	0	112.9	R332	R332-D334 WeakPolarHBondContact CD-OD2 3.3Å; R332-D334 VanDerWaalsContact CG-OD2 3.24Å; R332-D334 WeakPolarHBondContact CG-OD2 3.41Å; R332-D334 IonicContact NH1-OD1 3.86Å; R332-D334 IonicContact NH1-OD2 3.76Å
335	Q	27.9	Very low	31.3	Very low	135 Å²	135	146.2 Å²	146.2	63%	0.631	76%	0.761	S	S	*	*			trans	73.3	72.1	142.1	-156.3	77.6	114	0	0	122.8	K337	Q335-K337 HydrophobicContact CG-CD 4.44Å
336	V	35.9	Very low	31.3	Very low	145 Å²	145	148.3 Å²	148.3	88%	0.879	77%	0.767	S	S	*	*			trans	-141.2	121.2	143.3	-174.8	0	0	0	0	107.3
337	K	31.7	Very low	31.2	Very low	149 Å²	149	153.3 Å²	153.3	65%	0.648	77%	0.772	S	S	*	*			cis	95	89.1	6	-137.6	-173.5	-164.8	-178.9	0	117.4	Q335	Q335-K337 HydrophobicContact CG-CD 4.44Å
338	K	33.9	Very low	31.3	Very low	157 Å²	157	154.3 Å²	154.3	68%	0.683	78%	0.776	S	S	*	*			trans	69.6	160.7	153.7	-76.3	-171.1	168.9	-83.9	0	117.9
339	E	30.4	Very low	31.4	Very low	119 Å²	119	151.2 Å²	151.2	56%	0.556	77%	0.769	S	S	*	*			cis	-176.7	84.2	-22.4	176.9	172.5	-110.6	0	0	111.1
340	D	37.9	Very low	31.5	Very low	156 Å²	156	157.9 Å²	157.9	83%	0.834	77%	0.773	S	S	*	*			trans	-126.2	107.5	173.1	-58.6	-71.8	0	0	0	107.3
341	Q	31.1	Very low	31.9	Very low	159 Å²	159	152.2 Å²	152.2	74%	0.743	76%	0.757	S	S	*	*				80.5	116.6	62.5	-66.6	-163.4	11.9	0	0	114.9
342	E	30.8	Very low	31.8	Very low	191 Å²	191	151.3 Å²	151.3	89%	0.893	76%	0.757	S	S	*	*			trans	54.5	106.7	158.8	-56.9	-163	113.1	0	0	121.5
343	A	36.6	Very low	32	Very low	96 Å²	96	149.6 Å²	149.6	79%	0.793	76%	0.761	S	S	*	*			trans	-157.4	110.4	132.4	0	0	0	0	0	113.3	G345	A343-G345 PolarHBondContact O-N 2.95Å
344	T	34	Very low	32.6	Very low	146 Å²	146	144.1 Å²	144.1	90%	0.896	75%	0.75	S	S	*	*			trans	38.2	78.9	141.8	-44.9	0	0	0	0	119.7
345	G	30	Very low	32.5	Very low	60 Å²	60	145.4 Å²	145.4	62%	0.619	75%	0.752	S	S	*	*			trans	-99	130.2	153.4	0	0	0	0	0	111.2	A343	A343-G345 PolarHBondContact O-N 2.95Å
346	P	32.8	Very low	33.1	Very low	136 Å²	136	147.4 Å²	147.4	88%	0.883	76%	0.759	S	S	*	*			trans	-61.5	137.3	177.5	-23.6	34.4	0	0	0	112.6
347	R	28.4	Very low	32.7	Very low	237 Å²	237	144.1 Å²	144.1	89%	0.894	75%	0.754	S	S	*	*			trans	-109.1	124.6	-178.7	-70.9	-177.1	171.1	-165	-2.5	111.9
348	L	37.9	Very low	32.8	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	76%	0.76	S	S	*	*			trans	-127.4	119.2	155.6	-72.7	177.3	0	0	0	110.8
349	S	30.4	Very low	32.9	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	77%	0.77	S	S	*	*			trans	-24.8	133.8	162	54.5	0	0	0	0	116.8
350	R	30.8	Very low	33.1	Very low	207 Å²	207	144.9 Å²	144.9	78%	0.781	78%	0.782	S	S	*	*				91	135.9	83.3	-167.4	-177.6	170.3	149.2	17.6	110.5
351	E	32.6	Very low	32.6	Very low	126 Å²	126	144.8 Å²	144.8	59%	0.589	78%	0.78	S	S	*	*			cis	-160.1	168.5	16.1	-132.2	161.1	-179.7	0	0	112.4
352	L	28.1	Very low	33	Very low	141 Å²	141	146.6 Å²	146.6	74%	0.738	79%	0.789	S	S	*	*			trans	73.5	146.3	145.3	-82.2	163.9	0	0	0	123.6
353	L	36.5	Very low	33.1	Very low	146 Å²	146	143.6 Å²	143.6	76%	0.764	78%	0.779	S	S	*	*			trans	69.5	138.2	161.6	-66.4	168	0	0	0	118.2
354	D	35.5	Very low	32.9	Very low	135 Å²	135	143.8 Å²	143.8	72%	0.722	77%	0.774	S	S	*	*			cis	-151	174.9	-13.2	-153.9	-3.8	0	0	0	111.3
355	E	30	Very low	32.6	Very low	141 Å²	141	144.6 Å²	144.6	66%	0.659	77%	0.772	S	S	*	*			trans	-68.7	152.9	-179.2	-51.8	178.7	119.5	0	0	114.8
356	K	39	Very low	32.8	Very low	178 Å²	178	148.9 Å²	148.9	77%	0.774	78%	0.781	S	S	*	*				178.3	138.8	108.3	-82.6	-36.2	169.7	-166.5	0	113.8
357	G	28.3	Very low	32.9	Very low	75 Å²	75	154 Å²	154	77%	0.773	78%	0.783	S	S	*	*			trans	72.1	107.5	134.7	0	0	0	0	0	120.8
358	P	32.8	Very low	32.9	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	77%	0.774	S	S	*	*			trans	-108.2	135.3	164.8	36.4	-26.7	0	0	0	113.6
359	E	36.3	Very low	32.6	Very low	189 Å²	189	150.3 Å²	150.3	88%	0.883	77%	0.774	S	S	*	*			trans	-164.2	111.7	159	-107.2	151.8	-143.1	0	0	106.7
360	V	34.5	Very low	32.7	Very low	134 Å²	134	151.7 Å²	151.7	81%	0.812	78%	0.783	S	S	*	*				79.4	102.7	72	175.3	0	0	0	0	113.3
361	L	28.8	Very low	32.6	Very low	153 Å²	153	148.4 Å²	148.4	80%	0.801	79%	0.786	S	S	*	*			trans	9	124.7	156.8	-66.1	166.7	0	0	0	119.5
362	Q	39.2	Very low	32.5	Very low	197 Å²	197	148.3 Å²	148.3	92%	0.921	80%	0.797	S	S	*	*			trans	-140.6	139.3	139.8	-163.8	154.9	51.8	0	0	110
363	D	32.5	Very low	32.7	Very low	129 Å²	129	147.5 Å²	147.5	69%	0.69	80%	0.803	S	S	*	*			trans	-96.3	172.7	-163.4	-76.8	-61.1	0	0	0	115.2
364	S	31.9	Very low	32.3	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	80%	0.798	S	S	*	*			trans	67.8	106.1	152.5	53.9	0	0	0	0	119.8
365	L	29.4	Very low	31.8	Very low	163 Å²	163	143.7 Å²	143.7	85%	0.853	81%	0.807	S	S	*	*				28.7	101.8	110.5	-58.1	169.4	0	0	0	116.5
366	D	32.2	Very low	31.7	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	81%	0.814	S	S	*	*				-179.9	117.2	91.7	-110.3	-10.3	0	0	0	113
367	R	35.2	Very low	31.5	Very low	245 Å²	245	144.6 Å²	144.6	93%	0.925	82%	0.819	S	S	*	*			trans	-177.4	104	145.2	-107.2	169.2	-167.7	-106.9	-3.3	111.1
368	C	29	Very low	31.6	Very low	106 Å²	106	148 Å²	148	72%	0.716	82%	0.818	S	S	*	*			trans	-111.5	177.2	165.2	-67.1	0	0	0	0	110.5
369	Y	31.9	Very low	31.6	Very low	225 Å²	225	148.8 Å²	148.8	88%	0.882	82%	0.821	S	S	*	*			trans	93	101.1	172.6	-51	-62.2	0	0	0	117.4
370	S	32.5	Very low	31.2	Very low	127 Å²	127	146.7 Å²	146.7	89%	0.888	82%	0.816	S	S	*	*			trans	-148.5	155.7	151.9	-76.4	0	0	0	0	108.6
371	T	29.3	Very low	31	Very low	139 Å²	139	145.5 Å²	145.5	85%	0.853	81%	0.813	S	S	*	*			trans	-94.8	151	-156.1	-53.5	0	0	0	0	112.9
372	P	29.9	Very low	30.8	Very low	124 Å²	124	144 Å²	144	81%	0.805	81%	0.814	S	S	*	*			trans	-87.1	160.2	-174	34.4	-37.6	0	0	0	115.4
373	S	31.2	Very low	30.3	Very low	124 Å²	124	142.7 Å²	142.7	87%	0.867	81%	0.808	S	S	*	*			trans	-127.9	157.1	163.3	56.6	0	0	0	0	109.4
374	G	28.6	Very low	30.1	Very low	65 Å²	65	141.9 Å²	141.9	67%	0.67	81%	0.81	S	S	*	*			cis	179.4	166.1	-6.6	0	0	0	0	0	111.2
375	C	25.4	Very low	30	Very low	135 Å²	135	148.3 Å²	148.3	91%	0.912	82%	0.821	S	S	*	*			trans	59.3	112.8	169.1	-57.1	0	0	0	0	118.5
376	L	27.8	Very low	30	Very low	151 Å²	151	151.5 Å²	151.5	79%	0.791	82%	0.821	S	S	*	*			trans	-83.7	139.4	157.2	-76.3	154.2	0	0	0	109.3	L378	L376-L378 HydrophobicContact CD2-CD1 4.08Å; L376-L378 HydrophobicContact CD2-CG 4.26Å
377	E	34.5	Very low	29.8	Very low	188 Å²	188	148 Å²	148	88%	0.879	81%	0.808	S	S	*	*			trans	-115.5	105.4	150.8	-73.6	-172.5	148	0	0	107.7
378	L	30.5	Very low	29.6	Very low	147 Å²	147	140 Å²	140	77%	0.77	80%	0.795	S	S	*	*			trans	-123.5	89.8	169.7	-73.5	177.8	0	0	0	107.6	L376	L376-L378 HydrophobicContact CD2-CD1 4.08Å; L376-L378 HydrophobicContact CD2-CG 4.26Å
379	T	32.7	Very low	29.5	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	80%	0.798	S	S	*	*			trans	-78.2	128.8	171.7	-52.8	0	0	0	0	109.5	S381	T379-S381 PolarHBondContact O-N 2.86Å
380	D	28.4	Very low	29.4	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	80%	0.796	S	S	*	*			trans	-60.9	129.7	-175.7	-68.5	-73	0	0	0	113.8
381	S	29.3	Very low	29.4	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	79%	0.787	S	S	*	*			trans	-152.2	79.9	154.9	46.4	0	0	0	0	110.4	T379 Q383	T379-S381 PolarHBondContact O-N 2.86Å; S381-Q383 PolarHBondContact O-N 3.43Å; S381-Q383 VanDerWaalsContact O-N 3.09Å
382	C	24.6	Very low	29.6	Very low	121 Å²	121	143.1 Å²	143.1	82%	0.818	79%	0.785	S	S	*	*			trans	-66.3	106.5	172	-72.7	0	0	0	0	110.5
383	Q	29.5	Very low	29.7	Very low	169 Å²	169	144.3 Å²	144.3	79%	0.79	78%	0.78	S	S	*	*			trans	-106.4	129.5	162.8	-80.3	-65	-19.2	0	0	110.1	S381 Y385	S381-Q383 PolarHBondContact O-N 3.43Å; S381-Q383 VanDerWaalsContact O-N 3.09Å; Q383-Y385 PolarHBondContact O-N 3.31Å
384	P	29.4	Very low	29.7	Very low	112 Å²	112	147.2 Å²	147.2	73%	0.727	78%	0.78	S	S	*	*			trans	-68	124.1	-173.7	-20.3	33	0	0	0	112.8	R386	P384-R386 PolarHBondContact O-N 2.94Å
385	Y	27.9	Very low	29.9	Very low	236 Å²	236	151 Å²	151	93%	0.925	78%	0.78	S	S	*	*			trans	-74.8	83.7	-178.5	-144.5	-91	0	0	0	111.5	Q383 S387	Q383-Y385 PolarHBondContact O-N 3.31Å; Y385-S387 PolarHBondContact O-N 2.91Å
386	R	30	Very low	30.2	Very low	230 Å²	230	155.9 Å²	155.9	87%	0.868	78%	0.779	S	S	*	*			trans	-92.6	97.5	-177.7	-153.1	179.8	-166.1	-169.9	4.5	112.8	P384	P384-R386 PolarHBondContact O-N 2.94Å
387	S	27.8	Very low	30.4	Very low	74 Å²	74	154.7 Å²	154.7	52%	0.517	78%	0.778	S	S	.	*			trans	46.5	83.3	154.9	63.4	0	0	0	0	117.9	Y385 F389	Y385-S387 PolarHBondContact O-N 2.91Å; S387-F389 PolarHBondContact O-N 2.77Å
388	A	31	Very low	30.4	Very low	79 Å²	79	148.6 Å²	148.6	65%	0.653	77%	0.766	S	S	*	*			trans	-79.4	98.1	138.6	0	0	0	0	0	107.7	Y390	A388-Y390 PolarHBondContact O-N 2.97Å
389	F	26.9	Very low	30.5	Very low	179 Å²	179	148.9 Å²	148.9	79%	0.785	77%	0.767	S	S	*	*			trans	-67.6	103.8	167.2	-87.4	-90.4	0	0	0	108.1	S387 V391	S387-F389 PolarHBondContact O-N 2.77Å; F389-V391 PolarHBondContact O-N 3.36Å
390	Y	30.2	Very low	30.6	Very low	211 Å²	211	147.2 Å²	147.2	83%	0.827	77%	0.767	S	S	*	*			trans	-67.6	88.2	155.8	-79.6	-81	0	0	0	107.6	A388 L392	A388-Y390 PolarHBondContact O-N 2.97Å; Y390-L392 PolarHBondContact O-N 3.43Å
391	V	32.7	Very low	30.9	Very low	116 Å²	116	146.9 Å²	146.9	70%	0.703	76%	0.764	S	S	*	*			trans	-60.6	95.3	154.1	178.8	0	0	0	0	105.1	F389 E393	F389-V391 PolarHBondContact O-N 3.36Å; V391-E393 HydrophobicContact CG1-CG 4.38Å; V391-E393 PolarHBondContact O-N 2.93Å
392	L	33.7	Very low	31.4	Very low	155 Å²	155	148.5 Å²	148.5	81%	0.812	76%	0.764	S	S	*	*			trans	-65.3	87.3	159.9	-80.8	169	0	0	0	106	Y390 Q394	Y390-L392 PolarHBondContact O-N 3.43Å; L392-Q394 VanDerWaalsContact C-N 3.33Å; L392-Q394 PolarHBondContact O-N 3.25Å
393	E	32.5	Very low	31.9	Very low	149 Å²	149	149.3 Å²	149.3	70%	0.696	76%	0.757	S	S	*	*			trans	-49.8	110	153.3	-73	-166.3	140.8	0	0	106.1	V391 Q395	V391-E393 HydrophobicContact CG1-CG 4.38Å; V391-E393 PolarHBondContact O-N 2.93Å; E393-Q395 HydrophobicContact CB-CB 4.47Å; E393-Q395 PolarHBondContact O-N 3.06Å
394	Q	30.5	Very low	32.2	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.864	76%	0.756	S	S	*	*			trans	-69.6	66.4	152.7	-74.4	-168.9	89.8	0	0	107.3	L392 R396	L392-Q394 VanDerWaalsContact C-N 3.33Å; L392-Q394 PolarHBondContact O-N 3.25Å; Q394-R396 PolarHBondContact O-N 3.14Å
395	Q	33.2	Very low	32.8	Very low	144 Å²	144	151.8 Å²	151.8	67%	0.673	76%	0.764	S	S	*	*			trans	-54.7	99.7	155.5	-177	170.4	104.2	0	0	104.5	E393 V397	E393-Q395 HydrophobicContact CB-CB 4.47Å; E393-Q395 PolarHBondContact O-N 3.06Å; Q395-V397 PolarHBondContact O-N 2.97Å
396	R	30.5	Very low	33.4	Very low	238 Å²	238	147.8 Å²	147.8	90%	0.898	76%	0.757	S	S	*	*			trans	-62.2	94.4	176.3	-76.3	-175.2	171.3	-160.1	-0.7	106.1	Q394 G398	Q394-R396 PolarHBondContact O-N 3.14Å; R396-G398 VanDerWaalsContact C-N 3.35Å; R396-G398 PolarHBondContact O-N 3.47Å
397	V	33.8	Very low	33.8	Very low	126 Å²	126	144.1 Å²	144.1	76%	0.764	75%	0.75	S	S	*	*			trans	-56.3	105.1	171.9	177.1	0	0	0	0	105.6	Q395 L399	Q395-V397 PolarHBondContact O-N 2.97Å; V397-L399 PolarHBondContact O-N 2.75Å
398	G	33.3	Very low	34.2	Very low	61 Å²	61	146.4 Å²	146.4	63%	0.629	75%	0.75	S	S	*	*			trans	-55.2	126.8	-179.4	0	0	0	0	0	108.3	R396 A400	R396-G398 VanDerWaalsContact C-N 3.35Å; R396-G398 PolarHBondContact O-N 3.47Å; G398-A400 PolarHBondContact O-N 2.69Å
399	L	32.6	Very low	34.4	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	76%	0.756	S	S	*	*			trans	-61.9	99	-177.5	-95.2	166.7	0	0	0	109.5	V397 I401	V397-L399 PolarHBondContact O-N 2.75Å; L399-I401 HydrophobicContact CB-CD1 4.3Å; L399-I401 HydrophobicContact CB-CG1 4.18Å; L399-I401 HydrophobicContact CD1-CD1 4.46Å; L399-I401 HydrophobicContact CD2-CG1 4.3Å; L399-I401 PolarHBondContact O-N 2.57Å
400	A	34.9	Very low	34.6	Very low	98 Å²	98	151.4 Å²	151.4	81%	0.81	76%	0.755	S	S	*	*			trans	-72.6	71.4	168.2	0	0	0	0	0	108.9	G398 D402	G398-A400 PolarHBondContact O-N 2.69Å; A400-D402 VanDerWaalsContact C-N 3.31Å; A400-D402 PolarHBondContact O-N 3.42Å; A400-D402 VanDerWaalsContact O-N 3.11Å
401	I	35.7	Very low	34.7	Very low	139 Å²	139	149.3 Å²	149.3	71%	0.713	75%	0.753	S	S	*	*			trans	1.8	94.2	174.3	-55.5	169.7	0	0	0	109.3	L399 M403	L399-I401 HydrophobicContact CB-CD1 4.3Å; L399-I401 HydrophobicContact CB-CG1 4.18Å; L399-I401 HydrophobicContact CD1-CD1 4.46Å; L399-I401 HydrophobicContact CD2-CG1 4.3Å; L399-I401 PolarHBondContact O-N 2.57Å; I401-M403 HydrophobicContact CG2-CB 4.18Å; I401-M403 HydrophobicContact CG2-CG 4.27Å; I401-M403 HydrophobicContact CG2-SD 3.81Å; I401-M403 PolarHBondContact O-N 2.61Å; I401-M403 VanDerWaalsContact O-N 3.17Å
402	D	38.7	Very low	34.8	Very low	143.5 Å²	143.5	149.2 Å²	149.2	77%	0.767	75%	0.753	S	S	*	*				17.7	119.2	93	-162.5	14.4	0	0	0	112.3	A400	A400-D402 VanDerWaalsContact C-N 3.31Å; A400-D402 PolarHBondContact O-N 3.42Å; A400-D402 VanDerWaalsContact O-N 3.11Å
403	M	34.9	Very low	35	Very low	138.5 Å²	138.5	150 Å²	150	68%	0.682	75%	0.752	S	S	*	*			trans	146.3	74.2	-179.3	-91.1	-171.3	70.5	0	0	117	I401 E405	I401-M403 HydrophobicContact CG2-CB 4.18Å; I401-M403 HydrophobicContact CG2-CG 4.27Å; I401-M403 HydrophobicContact CG2-SD 3.81Å; I401-M403 PolarHBondContact O-N 2.61Å; I401-M403 VanDerWaalsContact O-N 3.17Å; M403-E405 PolarHBondContact O-N 3.41Å
404	D	36.5	Very low	35	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	76%	0.755	S	S	*	*			trans	-8.9	91.7	146	-71.2	-11.1	0	0	0	118
405	E	42.3	Very low	35.1	Very low	190.5 Å²	190.5	149.1 Å²	149.1	89%	0.89	75%	0.753	S	S	*	*			trans	-153.6	105.4	148.7	-133.7	169.9	-143.9	0	0	112.9	M403	M403-E405 PolarHBondContact O-N 3.41Å
406	I	39.4	Very low	35.2	Very low	152 Å²	152	150.4 Å²	150.4	78%	0.779	76%	0.759	S	S	*	*			trans	-115	102	-178.5	-56.5	175.3	0	0	0	111.2
407	E	38.4	Very low	35.6	Very low	152.5 Å²	152.5	145.9 Å²	145.9	71%	0.713	75%	0.753	S	S	*	*			trans	-120.6	115.1	170.6	-126.7	-151.7	179.4	0	0	112.3
408	K	36.3	Very low	35.7	Very low	121.5 Å²	121.5	145 Å²	145	53%	0.528	75%	0.75	S	S	.	*				130.1	157.2	62.7	-84.5	174.1	-157.8	116.4	0	114
409	Y	34.6	Very low	35.7	Very low	200.5 Å²	200.5	147.3 Å²	147.3	79%	0.786	76%	0.755	S	S	*	*			trans	69.9	129.7	170	-43.6	-67.4	0	0	0	115.6
410	Q	31.3	Very low	35.6	Very low	161.5 Å²	161.5	145.3 Å²	145.3	76%	0.755	75%	0.753	S	S	*	*			cis	138.3	141.1	0.6	-165.8	171.4	-17.8	0	0	112.6
411	E	32.2	Very low	35.8	Very low	167.5 Å²	167.5	146.6 Å²	146.6	78%	0.783	75%	0.754	S	S	*	*			trans	6.3	132.6	171.3	-72.7	148.5	171.3	0	0	117.4
412	V	34.8	Very low	35.5	Very low	115 Å²	115	150.5 Å²	150.5	70%	0.697	76%	0.759	S	S	*	*			trans	156.6	132.4	145.7	174	0	0	0	0	114.8
413	E	38.3	Very low	35	Very low	170.5 Å²	170.5	151.5 Å²	151.5	80%	0.797	76%	0.764	S	S	*	*			trans	52.9	101.7	167	-71.2	165.3	163.2	0	0	116.1
414	E	32.6	Very low	34.8	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.752	77%	0.766	S	S	*	*				69.6	94.2	63.4	-110	-173.7	158.3	0	0	114.2	Q416	E414-Q416 HydrophobicContact CG-CG 4.3Å; E414-Q416 PolarHBondContact O-N 2.9Å; E414-Q416 PolarHBondContact OE1-NE2 2.86Å
415	D	32.8	Very low	34.8	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	77%	0.767	S	S	*	*			trans	-9.7	97.2	152.1	-76.3	-21.2	0	0	0	114.1	D417	D415-D417 PolarHBondContact O-N 3.06Å
416	Q	35.7	Very low	34.6	Very low	172.5 Å²	172.5	151.6 Å²	151.6	81%	0.806	76%	0.76	S	S	*	*			trans	-110.1	79.7	161.8	-77.4	-78.9	-48.2	0	0	111.5	E414	E414-Q416 HydrophobicContact CG-CG 4.3Å; E414-Q416 PolarHBondContact O-N 2.9Å; E414-Q416 PolarHBondContact OE1-NE2 2.86Å
417	D	38.3	Very low	34.1	Very low	143.5 Å²	143.5	151 Å²	151	77%	0.767	76%	0.758	S	S	*	*			trans	-55.8	150.3	158.7	-105	-35.3	0	0	0	112.3	D415 S419	D415-D417 PolarHBondContact O-N 3.06Å; D417-S419 PolarHBondContact O-N 3.18Å; D417-S419 VanDerWaalsContact O-N 3.14Å
418	P	37.1	Very low	34.1	Very low	107.5 Å²	107.5	151.5 Å²	151.5	70%	0.698	77%	0.765	S	S	*	*				-111.8	149.8	111.5	35.1	-26.2	0	0	0	114.9	C420	P418-C420 PolarHBondContact O-N 2.94Å
419	S	32.4	Very low	33.9	Very low	107.5 Å²	107.5	152 Å²	152	75%	0.752	77%	0.773	S	S	*	*			trans	2.3	98.5	161.5	-65.5	0	0	0	0	115.9	D417 P421	D417-S419 PolarHBondContact O-N 3.18Å; D417-S419 VanDerWaalsContact O-N 3.14Å; S419-P421 WeakPolarHBondContact O-CD 3.39Å
420	C	30	Very low	33.7	Very low	111 Å²	111	149.6 Å²	149.6	75%	0.75	77%	0.769	S	S	*	*			trans	-56.6	140.2	167.3	-48	0	0	0	0	113	P418 R422	P418-C420 PolarHBondContact O-N 2.94Å; C420-R422 PolarHBondContact O-N 3.39Å; C420-R422 VanDerWaalsContact O-N 3.09Å
421	P	38.8	Very low	34	Very low	126.5 Å²	126.5	149.2 Å²	149.2	82%	0.821	77%	0.765	S	S	*	*	S	Bend	trans	-71.5	99.7	164.9	4.6	2.4	0	0	0	110.8	S419 L423	S419-P421 WeakPolarHBondContact O-CD 3.39Å; P421-L423 PolarHBondContact O-N 3.4Å
422	R	30.3	Very low	33.8	Very low	221.5 Å²	221.5	149 Å²	149	84%	0.836	76%	0.764	S	S	*	*			trans	-6.6	109.4	131.7	-79.5	-176.4	159.4	-170.1	-3.5	111.5	C420 S424	C420-R422 PolarHBondContact O-N 3.39Å; C420-R422 VanDerWaalsContact O-N 3.09Å; R422-S424 PolarHBondContact O-N 3.1Å
423	L	28.6	Very low	34.1	Very low	164.5 Å²	164.5	148.6 Å²	148.6	86%	0.861	76%	0.764	S	S	*	*				-123.2	121	110	-76.3	168.3	0	0	0	110.4	P421	P421-L423 PolarHBondContact O-N 3.4Å
424	S	30.7	Very low	33.7	Very low	103.5 Å²	103.5	148.7 Å²	148.7	72%	0.724	77%	0.765	S	S	*	*			trans	136.3	108.3	161.1	66.4	0	0	0	0	116.1	R422	R422-S424 PolarHBondContact O-N 3.1Å
425	R	36.7	Very low	33.8	Very low	206 Å²	206	146.8 Å²	146.8	78%	0.777	76%	0.763	S	S	*	*				116.5	125.6	90.9	-169.7	177.5	178.9	-171.4	-10.7	113.7
426	E	38.4	Very low	34.1	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.762	76%	0.763	S	S	*	*			trans	-42.5	123.5	150.3	-73.4	164.6	-180	0	0	113.8
427	L	28.4	Very low	34.2	Very low	141 Å²	141	145.9 Å²	145.9	74%	0.738	76%	0.759	S	S	*	*				-14.3	123.3	123.5	-79.8	162.7	0	0	0	110.9
428	L	37.4	Very low	34	Very low	162.5 Å²	162.5	146.2 Å²	146.2	85%	0.851	76%	0.76	S	S	*	*			trans	135.7	156.7	146.3	-95.5	168.5	0	0	0	115.5
429	D	33.3	Very low	34.1	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	76%	0.762	S	S	*	*			trans	157	135.3	-176.7	-82.9	-30.5	0	0	0	117.1
430	E	30.7	Very low	34.4	Very low	151.5 Å²	151.5	148.7 Å²	148.7	71%	0.708	77%	0.767	S	S	*	*			trans	71.9	121.1	137.8	-72.5	-159.3	167.1	0	0	122.4
431	K	36.3	Very low	34.5	Very low	153 Å²	153	148.6 Å²	148.6	67%	0.665	76%	0.759	S	S	*	*			trans	101.8	117	136.3	-64.6	-157.1	-178.1	-65.9	0	118.7
432	E	27.3	Very low	34.7	Very low	163.5 Å²	163.5	152.5 Å²	152.5	76%	0.764	76%	0.757	S	S	*	*				28.3	153.3	118.1	-71.7	175.6	158.5	0	0	121
433	P	41.8	Very low	34.6	Very low	106.5 Å²	106.5	147.2 Å²	147.2	69%	0.692	75%	0.752	S	S	*	*			cis	-123.4	-174.2	-7.3	24.7	-2	0	0	0	112.5
434	E	30.8	Very low	34.8	Very low	172.5 Å²	172.5	148.8 Å²	148.8	81%	0.806	75%	0.748	S	S	*	*				85	121.1	93.9	-110	-177.2	-153.4	0	0	117.5
435	V	33.4	Very low	35	Very low	120 Å²	120	148.5 Å²	148.5	73%	0.727	75%	0.746	S	S	*	*			trans	55.8	104.7	148.1	-164.8	0	0	0	0	119.2
436	L	39.9	Very low	34.9	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	74%	0.74	S	S	*	*				-159.7	134.2	117.1	-115.2	175.1	0	0	0	110.7
437	Q	37.9	Very low	34.6	Very low	151.5 Å²	151.5	141.1 Å²	141.1	71%	0.708	73%	0.731	S	S	*	*			trans	-28.2	127.9	165.9	-72	172.3	-29.6	0	0	116.3
438	D	33.8	Very low	34.7	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	73%	0.727	S	S	*	*			trans	122.9	93.6	131.9	-73.8	-22.9	0	0	0	113.2
439	S	39.7	Very low	34.3	Very low	105.5 Å²	105.5	134.1 Å²	134.1	74%	0.738	72%	0.717	S	S	*	*			trans	-126.4	96.8	155.1	-11.5	0	0	0	0	110.9	D441	S439-D441 PolarHBondContact O-N 3.5Å; S439-D441 VanDerWaalsContact O-N 3.09Å
440	L	37.8	Very low	34.2	Very low	161.5 Å²	161.5	138.1 Å²	138.1	85%	0.846	72%	0.724	S	S	*	*			trans	-16.4	115	138.7	-67.5	175.2	0	0	0	113.5	R442	L440-R442 PolarHBondContact O-N 3.02Å
441	D	33.2	Very low	34.2	Very low	109.5 Å²	109.5	138.1 Å²	138.1	59%	0.586	73%	0.728	S	S	*	*				-126.3	150.1	77.5	-117.4	-38.9	0	0	0	106.9	S439 C443	S439-D441 PolarHBondContact O-N 3.5Å; S439-D441 VanDerWaalsContact O-N 3.09Å; D441-C443 PolarHBondContact OD1-SG 2.67Å; D441-C443 VanDerWaalsContact OD1-SG 3.34Å
442	R	42.1	Very low	34	Very low	208 Å²	208	137.7 Å²	137.7	79%	0.785	73%	0.729	S	S	*	*				74.4	83.7	124.4	-115	171.3	-125.3	-87.8	-8	112.2	L440 Y444	L440-R442 PolarHBondContact O-N 3.02Å; R442-Y444 HydrophobicContact CG-CD2 4.36Å; R442-Y444 HydrophobicContact CG-CE2 4.05Å
443	C	29.2	Very low	34.4	Very low	109.5 Å²	109.5	136.7 Å²	136.7	74%	0.74	73%	0.728	S	S	*	*				137.6	123.4	91.6	-73.3	0	0	0	0	113.6	D441	D441-C443 PolarHBondContact OD1-SG 2.67Å; D441-C443 VanDerWaalsContact OD1-SG 3.34Å
444	Y	31.8	Very low	34	Very low	197.5 Å²	197.5	134.9 Å²	134.9	78%	0.775	72%	0.716	S	S	*	*			trans	-18.1	102.7	175.8	-64.9	-66.7	0	0	0	111	R442 I446	R442-Y444 HydrophobicContact CG-CD2 4.36Å; R442-Y444 HydrophobicContact CG-CE2 4.05Å; Y444-I446 HydrophobicContact CD1-CD1 4.47Å
445	S	34.7	Very low	34	Very low	98 Å²	98	131.2 Å²	131.2	69%	0.685	70%	0.702	S	S	*	*				-160.2	122.6	81.9	-78	0	0	0	0	108.7	E670	S445-E670 WeakPolarHBondContact CB-OE1 3.17Å; S445-E670 PolarHBondContact OG-OE1 3.08Å
446	I	35.4	Very low	33.8	Very low	123.5 Å²	123.5	131.6 Å²	131.6	63%	0.633	70%	0.699	S	S	*	*				-10.9	131.2	117.7	-50.2	161.8	0	0	0	108.3	Y444 E670 L671	Y444-I446 HydrophobicContact CD1-CD1 4.47Å; I446-E670 HydrophobicContact CB-CG 3.7Å; I446-E670 HydrophobicContact CG2-CG 3.68Å; I446-E670 WeakPolarHBondContact O-CG 3.26Å; I446-L671 HydrophobicContact CG2-CD1 4.05Å; I446-L671 HydrophobicContact CG2-CG 4.29Å
447	P	30.7	Very low	33.4	Very low	91 Å²	91	126.7 Å²	126.7	59%	0.591	69%	0.687	S	S	*	*				-133	149.3	88.1	34.5	-19.5	0	0	0	116.9	E670 L671	P447-E670 HydrophobicContact CB-CB 4.24Å; P447-E670 HydrophobicContact CB-CG 4.04Å; P447-E670 HydrophobicContact CG-CG 4.44Å; P447-L671 HydrophobicContact CB-CD2 3.52Å; P447-L671 HydrophobicContact CB-CG 3.72Å
448	S	31	Very low	33.1	Very low	93.5 Å²	93.5	126.7 Å²	126.7	65%	0.654	69%	0.687	S	S	*	*			trans	-1	123.6	162.1	48.9	0	0	0	0	115.3
449	G	28.5	Very low	33.1	Very low	61.5 Å²	61.5	123.4 Å²	123.4	63%	0.634	67%	0.674	S	S	*	*				150.9	112.5	-95.2	0	0	0	0	0	114.7
450	Y	31.6	Very low	32.5	Very low	215 Å²	215	129 Å²	129	84%	0.843	68%	0.68	S	S	*	*			trans	62.5	106	-179.6	-60.7	-83.4	0	0	0	115.2	E452	Y450-E452 PolarHBondContact O-N 3.12Å
451	L	30.2	Very low	32	Very low	151.5 Å²	151.5	126 Å²	126	79%	0.793	67%	0.673	S	S	*	*				-1.2	126.4	80.5	-167.8	76.7	0	0	0	111.8
452	E	32.4	Very low	32	Very low	146 Å²	146	126.2 Å²	126.2	68%	0.682	68%	0.683	S	S	*	*			trans	153.1	103.7	178.4	-115.5	179.7	-166.7	0	0	111.3	Y450	Y450-E452 PolarHBondContact O-N 3.12Å
453	L	35.9	Very low	31.5	Very low	142.5 Å²	142.5	120.6 Å²	120.6	75%	0.746	68%	0.681	S	S	*	*			trans	-121.4	-164	151.7	-91.8	170.2	0	0	0	107.2
454	P	33.4	Very low	31.6	Very low	68 Å²	68	121 Å²	121	44%	0.442	68%	0.68	S	S	.	*				-76.1	-175.6	-111.4	-7.6	15.4	0	0	0	112.1
455	D	30.8	Very low	31.6	Very low	95.5 Å²	95.5	120.2 Å²	120.2	51%	0.511	68%	0.677	S	S	.	*			trans	57.1	105.9	150.8	-64.3	3.8	0	0	0	121.6	G457 R724	D455-G457 PolarHBondContact O-N 3.38Å; D455-R724 IonicContact OD1-CZ 3.3Å; D455-R724 IonicContact OD1-NH1 3.2Å; D455-R724 IonicContact OD1-NH2 2.93Å; D455-R724 PolarHBondContact OD1-NH2 3.38Å; D455-R724 IonicContact OD2-CZ 3.81Å; D455-R724 VanDerWaalsContact OD2-CZ 3.22Å; D455-R724 IonicContact OD2-NH1 2.74Å; D455-R724 PolarHBondContact OD2-NH1 3.18Å; D455-R724 IonicContact OD2-NH2 3.05Å; D455-R724 PolarHBondContact OD2-NH2 3.41Å
456	L	29.5	Very low	31.7	Very low	127.5 Å²	127.5	120.3 Å²	120.3	67%	0.668	68%	0.677	S	S	*	*			trans	-10.2	118.8	144.2	-124.4	49.3	0	0	0	115.1	Y953 S954 L955	L456-Y953 WeakPolarHBondContact CD1-O 3.15Å; L456-S954 VanDerWaalsContact CG-C 3.42Å; L456-S954 VanDerWaalsContact CG-N 3.29Å; L456-S954 WeakPolarHBondContact CG-O 3.27Å; L456-L955 WeakPolarHBondContact CB-O 3.37Å
457	G	31.3	Very low	31.7	Very low	54 Å²	54	121.6 Å²	121.6	56%	0.557	69%	0.685	S	S	*	*				-167.4	154.3	-93.9	0	0	0	0	0	115.1	D455	D455-G457 PolarHBondContact O-N 3.38Å
458	Q	32.3	Very low	32	Very low	151.5 Å²	151.5	125.2 Å²	125.2	71%	0.708	69%	0.694	S	S	*	*			trans	-164	153	160.9	-73.1	-106.3	-26.9	0	0	109.7	S954 E956	Q458-S954 PolarHBondContact N-OG 3.41Å; Q458-S954 WeakPolarHBondContact O-CB 3.22Å; Q458-S954 PolarHBondContact O-OG 3.34Å; Q458-E956 WeakPolarHBondContact CA-OE1 3.4Å
459	P	32.8	Very low	32.2	Very low	81.5 Å²	81.5	128.8 Å²	128.8	53%	0.529	70%	0.7	S	S	.	*				-119.7	171.7	102.8	34.9	-20.1	0	0	0	115.5	E956	P459-E956 WeakPolarHBondContact CA-OE1 3.47Å; P459-E956 VanDerWaalsContact N-OE1 3.1Å
460	Y	28.2	Very low	32.4	Very low	221.5 Å²	221.5	133.1 Å²	133.1	87%	0.869	70%	0.704	S	S	*	*			trans	162.1	114.5	161	-101.5	-88.7	0	0	0	116
461	S	27.8	Very low	32.4	Very low	99.5 Å²	99.5	130.3 Å²	130.3	70%	0.696	69%	0.693	S	S	*	*			trans	38.9	114.3	147.9	139.5	0	0	0	0	120.4
462	S	32.6	Very low	32.6	Very low	114.5 Å²	114.5	131.3 Å²	131.3	80%	0.801	70%	0.698	S	S	*	*			trans	-1.9	129.8	135.7	58.4	0	0	0	0	115.1
463	A	31.5	Very low	32.9	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	70%	0.695	S	S	*	*			trans	-152.6	117.7	137	0	0	0	0	0	110.4
464	V	31	Very low	33	Very low	118.5 Å²	118.5	128.3 Å²	128.3	72%	0.718	70%	0.701	S	S	*	*			trans	150.7	115	150.1	178.8	0	0	0	0	113.5
465	Y	31.6	Very low	33.2	Very low	180 Å²	180	128.3 Å²	128.3	71%	0.706	71%	0.707	S	S	*	*			trans	-22.6	124.2	153	-75.3	-96.1	0	0	0	113.2	D972	Y465-D972 HydrophobicContact CD1-CB 3.87Å; Y465-D972 HydrophobicContact CD2-CB 4.29Å; Y465-D972 HydrophobicContact CE1-CB 4.14Å; Y465-D972 HydrophobicContact CG-CB 3.96Å
466	S	37	Very low	33.4	Very low	100.5 Å²	100.5	130.8 Å²	130.8	70%	0.703	72%	0.719	S	S	*	*				-146.8	152.9	88.9	-86.9	0	0	0	0	108
467	L	35.9	Very low	33.6	Very low	149.5 Å²	149.5	130.3 Å²	130.3	78%	0.783	72%	0.717	S	S	*	*				-136.4	124.9	-97.1	175.4	144.5	0	0	0	108.5
468	E	36.1	Very low	33.8	Very low	168 Å²	168	132.7 Å²	132.7	79%	0.785	72%	0.72	S	S	*	*			trans	135.7	143.3	170.8	-130.7	112.1	-107.3	0	0	113.4	Q470	E468-Q470 PolarHBondContact O-N 3Å
469	E	35.3	Very low	34.1	Very low	167.5 Å²	167.5	132.1 Å²	132.1	78%	0.783	72%	0.722	S	S	*	*				-120	130.7	-89.2	-97.5	-162	137.9	0	0	108.4
470	Q	33.7	Very low	34.4	Very low	152.5 Å²	152.5	136.6 Å²	136.6	71%	0.713	73%	0.729	S	S	*	*				-157.4	163.3	72.8	-135.4	-168.8	85	0	0	111	E468	E468-Q470 PolarHBondContact O-N 3Å
471	Y	30.8	Very low	35	Very low	155.5 Å²	155.5	131.7 Å²	131.7	61%	0.61	72%	0.716	S	S	*	*			trans	131.5	123.9	173.7	-89.9	-70.9	0	0	0	118.3	G473 D699 L700	Y471-G473 PolarHBondContact O-N 3.47Å; Y471-D699 VanDerWaalsContact OH-CA 3.26Å; Y471-D699 WeakPolarHBondContact OH-CA 3.35Å; Y471-D699 VanDerWaalsContact OH-CB 3.26Å; Y471-D699 WeakPolarHBondContact OH-CB 3.22Å; Y471-D699 PolarHBondContact OH-OD1 2.75Å; Y471-D699 PolarHBondContact OH-OD2 3.16Å; Y471-L700 HydrophobicContact CE1-CG 4.19Å; Y471-L700 HydrophobicContact CE2-CD1 3.73Å; Y471-L700 HydrophobicContact CE2-CG 3.91Å; Y471-L700 WeakPolarHBondContact OH-CA 3.4Å; Y471-L700 WeakPolarHBondContact OH-CB 3.27Å; Y471-L700 VanDerWaalsContact OH-CG 3.28Å; Y471-L700 WeakPolarHBondContact OH-CG 3.27Å; Y471-L700 PolarHBondContact OH-N 2.92Å
472	L	34.8	Very low	35.4	Very low	174 Å²	174	135 Å²	135	91%	0.911	72%	0.718	S	S	*	*			trans	-103.7	105.2	152.4	-103.2	126.1	0	0	0	109.3
473	G	39	Very low	35.6	Very low	60 Å²	60	136 Å²	136	62%	0.619	71%	0.708	S	S	*	*				-146.3	110.4	-95.9	0	0	0	0	0	113.9	Y471	Y471-G473 PolarHBondContact O-N 3.47Å
474	L	36.6	Very low	35.9	Very low	164.5 Å²	164.5	137.9 Å²	137.9	86%	0.861	71%	0.706	S	S	*	*			trans	-5.6	135.8	157.6	-61.3	175.8	0	0	0	115.8
475	A	37.7	Very low	36.1	Very low	68.5 Å²	68.5	138.6 Å²	138.6	57%	0.566	70%	0.701	S	S	*	*				-156.3	132.4	-97.5	0	0	0	0	0	111.6	E696	A475-E696 WeakPolarHBondContact CA-OE1 3.25Å
476	L	35.1	Very low	36.4	Very low	148 Å²	148	138.2 Å²	138.2	78%	0.775	71%	0.706	S	S	*	*				115	131.9	127	-64.8	177.2	0	0	0	114.9	V478 E696	L476-V478 HydrophobicContact CD2-CG2 4.43Å; L476-E696 PolarHBondContact N-OE1 3.09Å; L476-E696 VanDerWaalsContact N-OE1 3.12Å; L476-E696 PolarHBondContact N-OE2 3.39Å
477	D	35.2	Very low	36.3	Very low	117.5 Å²	117.5	141.3 Å²	141.3	63%	0.628	71%	0.709	S	S	*	*				-136.5	159.9	85.6	-107.1	-21.5	0	0	0	113.7	Y694 L695	D477-Y694 VanDerWaalsContact OD2-CE1 3.28Å; D477-Y694 WeakPolarHBondContact OD2-CE1 3.38Å; D477-L695 HydrophobicContact CB-CD1 4.11Å; D477-L695 HydrophobicContact CB-CD2 4.05Å
478	V	34.5	Very low	36.3	Very low	103 Å²	103	143 Å²	143	62%	0.624	71%	0.713	S	S	*	*				40	87.5	103.4	-168.8	0	0	0	0	119	L476	L476-V478 HydrophobicContact CD2-CG2 4.43Å
479	D	37.8	Very low	36.1	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	71%	0.714	S	S	*	*				106.8	105.4	130	-84.4	-34.2	0	0	0	119.7
480	R	39.3	Very low	36	Very low	177 Å²	177	141.3 Å²	141.3	67%	0.668	71%	0.709	S	S	*	*				129.3	100.9	113.9	-134.8	-171.3	-172.2	157	8.2	118.9	P935 S936	R480-P935 PolarHBondContact NH2-O 3.5Å; R480-S936 PolarHBondContact NE-O 2.88Å; R480-S936 PolarHBondContact NH2-O 3.12Å
481	I	41.2	Very low	36	Very low	119 Å²	119	142 Å²	142	61%	0.61	71%	0.713	S	S	*	*			trans	-47.6	111.2	143.9	-59.7	178.8	0	0	0	113.9	S936 G937	I481-S936 WeakPolarHBondContact CD1-O 3.13Å; I481-G937 VanDerWaalsContact CD1-N 3.34Å
482	K	36.1	Very low	35.9	Very low	167.5 Å²	167.5	140.7 Å²	140.7	73%	0.728	72%	0.716	S	S	*	*				45	132.2	122.9	-61.4	177.9	-178.1	-177.6	0	116.2	Y938	K482-Y938 PolarHBondContact NZ-O 2.74Å; K482-Y938 VanDerWaalsContact NZ-O 3.16Å
483	K	37.7	Very low	36.3	Very low	137 Å²	137	137.4 Å²	137.4	60%	0.596	71%	0.705	S	S	*	*			cis	132.8	115.1	18.5	-143.1	-179.7	166	-86.1	0	113	D943	K483-D943 IonicContact NZ-OD1 2.51Å
484	D	36.6	Very low	36.3	Very low	129.5 Å²	129.5	139.4 Å²	139.4	69%	0.693	71%	0.707	S	S	*	*			trans	138.2	136.2	144.1	-54.5	-40.1	0	0	0	111.6
485	Q	35.4	Very low	36	Very low	132.5 Å²	132.5	136.4 Å²	136.4	62%	0.619	70%	0.699	S	S	*	*			cis	148.8	111.7	9.7	-142.9	173.9	-31	0	0	114.5
486	E	37.8	Very low	36	Very low	171 Å²	171	139 Å²	139	80%	0.799	71%	0.71	S	S	*	*			trans	130.8	141.5	139.2	-76.8	170.5	168.8	0	0	113.2
487	E	34.7	Very low	36.3	Very low	167 Å²	167	141.3 Å²	141.3	78%	0.78	71%	0.708	S	S	*	*			cis	144.6	117.9	22.8	-149.9	172.1	-130.9	0	0	113.8
488	E	37.3	Very low	36.2	Very low	183.5 Å²	183.5	143.1 Å²	143.1	86%	0.857	72%	0.717	S	S	*	*			trans	134.8	144.4	150.2	-118.1	175	-173.1	0	0	114.4
489	E	31.8	Very low	36.1	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	72%	0.718	S	S	*	*				-139.9	149	-88.4	-159.2	177.9	-169.6	0	0	110
490	D	31.9	Very low	36	Very low	127 Å²	127	148.2 Å²	148.2	68%	0.679	73%	0.729	S	S	*	*			trans	60.4	123.1	163.7	-140	22.3	0	0	0	120.9	D492	D490-D492 PolarHBondContact OD1-N 2.87Å
491	Q	35	Very low	35.9	Very low	167.5 Å²	167.5	148 Å²	148	78%	0.783	74%	0.735	S	S	*	*			trans	150.9	102.1	147.8	-65.4	-48.3	-74.8	0	0	114.7
492	D	29.3	Very low	35.5	Very low	128 Å²	128	149.4 Å²	149.4	68%	0.684	74%	0.743	S	S	*	*			trans	-57.9	164.7	164.5	-101.8	-50.7	0	0	0	114.5	D490 R497	D490-D492 PolarHBondContact OD1-N 2.87Å; D492-R497 IonicContact OD1-CZ 2.79Å; D492-R497 IonicContact OD1-NH1 2.89Å; D492-R497 PolarHBondContact OD1-NH1 3.49Å; D492-R497 IonicContact OD1-NH2 2.92Å; D492-R497 PolarHBondContact OD1-NH2 3.23Å; D492-R497 VanDerWaalsContact OD1-NH2 3.13Å
493	P	43.3	Very low	35.6	Very low	105 Å²	105	148.3 Å²	148.3	68%	0.682	75%	0.75	S	S	*	*				-113.6	-176.4	-79.3	39.5	-30.7	0	0	0	113.3
494	P	37.5	Very low	35.5	Very low	102 Å²	102	149.3 Å²	149.3	66%	0.662	76%	0.757	S	S	*	*				-127.4	152	61.7	37.6	-24.1	0	0	0	114.2	P496	P494-P496 VanDerWaalsContact O-CD 3.27Å; P494-P496 WeakPolarHBondContact O-CD 3.21Å
495	C	30.8	Very low	35.3	Very low	101.5 Å²	101.5	149.2 Å²	149.2	69%	0.686	76%	0.761	S	S	*	*			trans	-10.4	127.7	166.2	-69.2	0	0	0	0	115	R497	C495-R497 HydrophobicContact CB-CB 4.47Å; C495-R497 PolarHBondContact O-N 3.41Å; C495-R497 PolarHBondContact SG-O 3.43Å
496	P	37.8	Very low	35.2	Very low	123 Å²	123	149.1 Å²	149.1	80%	0.799	77%	0.769	S	S	*	*	S	Bend		-94.1	108.3	-89.3	15.1	-0	0	0	0	111.9	P494 L498	P494-P496 VanDerWaalsContact O-CD 3.27Å; P494-P496 WeakPolarHBondContact O-CD 3.21Å; P496-L498 PolarHBondContact O-N 3.26Å
497	R	42.3	Very low	35.2	Very low	196.5 Å²	196.5	149.2 Å²	149.2	74%	0.742	77%	0.77	S	S	*	*				-10.9	117.4	85.4	-49.2	-177.2	175.7	168.2	-2.1	112.8	D492 C495	D492-R497 IonicContact OD1-CZ 2.79Å; D492-R497 IonicContact OD1-NH1 2.89Å; D492-R497 PolarHBondContact OD1-NH1 3.49Å; D492-R497 IonicContact OD1-NH2 2.92Å; D492-R497 PolarHBondContact OD1-NH2 3.23Å; D492-R497 VanDerWaalsContact OD1-NH2 3.13Å; C495-R497 HydrophobicContact CB-CB 4.47Å; C495-R497 PolarHBondContact O-N 3.41Å; C495-R497 PolarHBondContact SG-O 3.43Å
498	L	31.1	Very low	35.3	Very low	154.5 Å²	154.5	146.7 Å²	146.7	81%	0.809	77%	0.768	S	S	*	*				-92	135.6	85.7	-62.4	179.6	0	0	0	111.2	P496 R500	P496-L498 PolarHBondContact O-N 3.26Å; L498-R500 PolarHBondContact O-N 2.99Å
499	S	34.1	Very low	35	Very low	92.5 Å²	92.5	146.5 Å²	146.5	65%	0.647	77%	0.767	S	S	*	*				14.1	122.1	124.1	52.4	0	0	0	0	113	E501	S499-E501 PolarHBondContact O-N 3.09Å; S499-E501 VanDerWaalsContact O-N 3.12Å
500	R	35.3	Very low	35	Very low	257 Å²	257	143.9 Å²	143.9	97%	0.97	76%	0.762	S	S	*	*			trans	-65	89.5	160.8	-112.2	171.6	178.8	156	-0.7	110.7	L498	L498-R500 PolarHBondContact O-N 2.99Å
501	E	36.8	Very low	35.1	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.804	77%	0.768	S	S	*	*			trans	-120.8	97.6	162.8	-166.2	171.3	-161.5	0	0	109.3	S499 V503	S499-E501 PolarHBondContact O-N 3.09Å; S499-E501 VanDerWaalsContact O-N 3.12Å; E501-V503 PolarHBondContact O-N 3.21Å
502	L	32.1	Very low	35.3	Very low	148.5 Å²	148.5	145.3 Å²	145.3	78%	0.777	77%	0.769	S	S	*	*			trans	-118	111.1	169.5	-126.7	131.4	0	0	0	109.5	E504	L502-E504 PolarHBondContact O-N 3.35Å
503	V	40.2	Very low	35.4	Very low	144 Å²	144	146.3 Å²	146.3	87%	0.873	78%	0.775	S	S	*	*			trans	-87	101.6	173.5	178	0	0	0	0	108.7	E501	E501-V503 PolarHBondContact O-N 3.21Å
504	E	35.2	Very low	34.9	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	77%	0.772	S	S	*	*			trans	-116.9	135.2	177.4	-98.1	171	154.9	0	0	112.8	L502	L502-E504 PolarHBondContact O-N 3.35Å
505	V	32.7	Very low	34.6	Very low	128.5 Å²	128.5	148 Å²	148	78%	0.779	78%	0.778	S	S	*	*			trans	57.5	115.3	155.7	-158.1	0	0	0	0	116.1
506	V	32.7	Very low	34.7	Very low	130.5 Å²	130.5	149 Å²	149	79%	0.791	78%	0.777	S	S	*	*				-134.8	132.2	73.6	-177.8	0	0	0	0	110.7	P508	V506-P508 HydrophobicContact CG1-CG 4.2Å
507	E	37.4	Very low	34.4	Very low	173.5 Å²	173.5	153.5 Å²	153.5	81%	0.811	78%	0.778	S	S	*	*			trans	-78.9	142.6	170.2	-63.9	-172.8	119.6	0	0	111.6
508	P	36.2	Very low	33.8	Very low	113.5 Å²	113.5	149 Å²	149	74%	0.737	78%	0.775	S	S	*	*				-100.1	148.7	123.1	10.5	3.1	0	0	0	113.1	V506	V506-P508 HydrophobicContact CG1-CG 4.2Å
509	E	31.5	Very low	33.7	Very low	179 Å²	179	152.2 Å²	152.2	84%	0.836	78%	0.778	S	S	*	*			trans	-16.1	137.9	164.4	-55	-167.8	146.3	0	0	117.3	L511	E509-L511 PolarHBondContact O-N 3.36Å
510	V	32.5	Very low	33.5	Very low	119 Å²	119	152.4 Å²	152.4	72%	0.721	78%	0.78	S	S	*	*				-114.5	118.9	105.6	175.3	0	0	0	0	110.9	Q512	V510-Q512 HydrophobicContact CG1-CG 4.43Å
511	L	34.2	Very low	33.2	Very low	154 Å²	154	145 Å²	145	81%	0.806	76%	0.763	S	S	*	*			trans	-52.5	102	149.1	-84	175.3	0	0	0	116.6	E509 D513	E509-L511 PolarHBondContact O-N 3.36Å; L511-D513 PolarHBondContact O-N 3.47Å
512	Q	37.5	Very low	33	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	75%	0.754	S	S	*	*			trans	-108	109.4	138.7	-96.7	174.5	2.7	0	0	110.8	V510 S514	V510-Q512 HydrophobicContact CG1-CG 4.43Å; Q512-S514 PolarHBondContact O-N 2.78Å
513	D	33.4	Very low	32.8	Very low	149.5 Å²	149.5	138.4 Å²	138.4	80%	0.799	75%	0.746	S	S	*	*			trans	-38.6	100.1	154.2	-110	-6.8	0	0	0	115.3	L511 L515	L511-D513 PolarHBondContact O-N 3.47Å; D513-L515 PolarHBondContact O-N 3.49Å
514	S	31.9	Very low	32.1	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	73%	0.733	S	S	*	*				-133.9	107.9	-86.4	54.1	0	0	0	0	112.3	Q512	Q512-S514 PolarHBondContact O-N 2.78Å
515	L	32.1	Very low	31.7	Very low	152.5 Å²	152.5	132.9 Å²	132.9	80%	0.798	73%	0.73	S	S	*	*			trans	145.3	139.2	160.2	-72.3	172.7	0	0	0	116.2	D513	D513-L515 PolarHBondContact O-N 3.49Å
516	D	31	Very low	31.5	Very low	123.5 Å²	123.5	134 Å²	134	66%	0.66	73%	0.731	S	S	*	*				129.8	135.7	83.9	-107.3	-17.5	0	0	0	115.6
517	R	32.5	Very low	31.4	Very low	218 Å²	218	134.4 Å²	134.4	82%	0.823	72%	0.724	S	S	*	*				67.4	93.8	102.5	-120	175.2	-128.5	-133.8	-7.2	118.7
518	C	28.6	Very low	31	Very low	101 Å²	101	133.9 Å²	133.9	68%	0.682	72%	0.722	S	S	*	*			trans	138.6	109.4	143.4	-77.4	0	0	0	0	113.8
519	Y	30.7	Very low	31.1	Very low	222 Å²	222	133.2 Å²	133.2	87%	0.871	72%	0.718	S	S	*	*	S	Bend		133.1	157.9	73	-62.3	-79.7	0	0	0	115.2
520	S	29.1	Very low	31	Very low	97 Å²	97	132 Å²	132	68%	0.678	72%	0.717	S	S	*	*				-136.9	154.3	-78.8	-43.3	0	0	0	0	112
521	T	30.2	Very low	30.8	Very low	100 Å²	100	131.5 Å²	131.5	61%	0.613	72%	0.719	S	S	*	*			trans	-44.6	139.2	143.8	6.6	0	0	0	0	115.4	S523	T521-S523 PolarHBondContact O-N 2.85Å
522	P	31.8	Very low	30.5	Very low	93.5 Å²	93.5	130.1 Å²	130.1	61%	0.607	72%	0.721	S	S	*	*				-117.2	118.6	-112.4	36.5	-26	0	0	0	113.3	S524	P522-S524 PolarHBondContact O-N 3.44Å
523	S	26.9	Very low	30	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	72%	0.724	S	S	*	*			trans	17.9	166.6	164.8	62.9	0	0	0	0	118.9	T521	T521-S523 PolarHBondContact O-N 2.85Å
524	S	26.2	Very low	30.2	Very low	83 Å²	83	128.6 Å²	128.6	58%	0.58	72%	0.718	S	S	*	*			trans	-73.3	151.4	179.2	53.6	0	0	0	0	114.5	P522	P522-S524 PolarHBondContact O-N 3.44Å
525	C	27.3	Very low	29.9	Very low	102 Å²	102	135.6 Å²	135.6	69%	0.689	73%	0.732	S	S	*	*				120.9	145.7	127.1	-27.1	0	0	0	0	117.1
526	L	27.7	Very low	29.8	Very low	153.5 Å²	153.5	131.2 Å²	131.2	80%	0.804	72%	0.724	S	S	*	*				71.6	138	110.9	-54.6	178.3	0	0	0	114.7
527	E	30.2	Very low	29.6	Very low	137 Å²	137	131.1 Å²	131.1	64%	0.64	73%	0.732	S	S	*	*			cis	-149.8	153.2	9.9	-131	167.4	158.2	0	0	113.1
528	Q	30.4	Very low	29.5	Very low	163 Å²	163	125.2 Å²	125.2	76%	0.762	73%	0.725	S	S	*	*			trans	10.1	167.3	148.7	-75.4	173.7	-10.2	0	0	119.5
529	P	37.6	Very low	29.5	Very low	100.5 Å²	100.5	129.1 Å²	129.1	65%	0.653	73%	0.731	S	S	*	*			cis	-138.5	176.4	-17.5	34.9	-15.3	0	0	0	116.5
530	D	29.5	Very low	29.4	Very low	152.5 Å²	152.5	128.7 Å²	128.7	82%	0.816	73%	0.729	S	S	*	*			trans	59.9	107.9	143.7	-59.1	-21.4	0	0	0	122.4
531	S	27.9	Very low	29.8	Very low	109.5 Å²	109.5	128.2 Å²	128.2	77%	0.766	73%	0.731	S	S	*	*			trans	9.1	128.8	149.2	64.9	0	0	0	0	118.8
532	C	27.7	Very low	30	Very low	125 Å²	125	130.5 Å²	130.5	85%	0.845	74%	0.739	S	S	*	*			trans	142.7	130.2	132.3	-80.7	0	0	0	0	116.3
533	Q	28.1	Very low	30.2	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	74%	0.743	S	S	*	*			trans	2.1	169.3	155	-54.1	-129.4	-38.1	0	0	114.7
534	P	38	Very low	30.6	Very low	103 Å²	103	137 Å²	137	67%	0.669	75%	0.751	S	S	*	*				-118	170	-86.9	39.6	-29.7	0	0	0	113.1
535	Y	24.5	Very low	30.9	Very low	236.5 Å²	236.5	139.8 Å²	139.8	93%	0.927	75%	0.753	S	S	*	*			trans	133.2	146.6	153.9	-140.8	-92.3	0	0	0	115
536	G	29.6	Very low	31.2	Very low	60.5 Å²	60.5	143 Å²	143	62%	0.624	76%	0.757	S	S	*	*			trans	72.2	107.5	161.3	0	0	0	0	0	116.5
537	S	26.4	Very low	31.4	Very low	120 Å²	120	142.1 Å²	142.1	84%	0.839	76%	0.758	S	S	*	*			trans	-55.4	142.6	150.4	50	0	0	0	0	111.5
538	S	30.3	Very low	31.5	Very low	95.5 Å²	95.5	138.7 Å²	138.7	67%	0.668	76%	0.759	S	S	*	*				-171.4	153.3	117.4	52.8	0	0	0	0	110.4
539	F	30.2	Very low	31.6	Very low	182 Å²	182	140.5 Å²	140.5	80%	0.798	77%	0.765	S	S	*	*			trans	0.7	121.7	-179.3	-67.3	-85.4	0	0	0	114.5
540	Y	28.8	Very low	31.3	Very low	213.5 Å²	213.5	140.5 Å²	140.5	84%	0.837	77%	0.768	S	S	*	*				-13.7	128.1	108.8	-74.4	-109.4	0	0	0	110.3
541	A	35.9	Very low	31.2	Very low	87 Å²	87	140.9 Å²	140.9	72%	0.719	77%	0.769	S	S	*	*			trans	-143.7	140.7	132.9	0	0	0	0	0	107.3	E543	A541-E543 PolarHBondContact O-N 3.23Å
542	L	34	Very low	31.6	Very low	148 Å²	148	141 Å²	141	78%	0.775	76%	0.761	S	S	*	*			trans	3.5	134.7	130.1	-66.4	169	0	0	0	111.1
543	E	37.2	Very low	32	Very low	150 Å²	150	140.1 Å²	140.1	70%	0.701	75%	0.751	S	S	*	*				-152.1	139.1	61.4	-104	150.6	-170.1	0	0	111.3	A541 K545	A541-E543 PolarHBondContact O-N 3.23Å; E543-K545 HydrophobicContact CB-CD 4.49Å; E543-K545 PolarHBondContact O-N 3.35Å; E543-K545 IonicContact OE1-NZ 2.61Å; E543-K545 PolarHBondContact OE1-NZ 3.03Å; E543-K545 IonicContact OE2-NZ 3.05Å; E543-K545 PolarHBondContact OE2-NZ 2.89Å
544	E	35.6	Very low	32.3	Very low	170.5 Å²	170.5	134.3 Å²	134.3	80%	0.797	74%	0.741	S	S	*	*				15.9	125.3	112.6	-176.8	-176.8	-177.6	0	0	112.1	H546	E544-H546 PolarHBondContact O-N 3.17Å; E544-H546 VanDerWaalsContact O-N 3.1Å
545	K	31.8	Very low	32.3	Very low	140.5 Å²	140.5	136.1 Å²	136.1	61%	0.611	74%	0.74	S	S	*	*			trans	-106	107.1	170.6	-79.3	129.9	-163.4	169	0	112.2	E543	E543-K545 HydrophobicContact CB-CD 4.49Å; E543-K545 PolarHBondContact O-N 3.35Å; E543-K545 IonicContact OE1-NZ 2.61Å; E543-K545 PolarHBondContact OE1-NZ 3.03Å; E543-K545 IonicContact OE2-NZ 3.05Å; E543-K545 PolarHBondContact OE2-NZ 2.89Å
546	H	33.1	Very low	32.9	Very low	170.5 Å²	170.5	132.5 Å²	132.5	79%	0.789	74%	0.735	S	S	*	*			trans	135.5	122.9	160.9	-74.9	-56.4	0	0	0	117.2	E544 G548	E544-H546 PolarHBondContact O-N 3.17Å; E544-H546 VanDerWaalsContact O-N 3.1Å; H546-G548 PolarHBondContact O-N 2.85Å
547	V	32.5	Very low	33.1	Very low	135 Å²	135	136.5 Å²	136.5	82%	0.818	74%	0.738	S	S	*	*			trans	-3.8	87.1	150.2	-174.1	0	0	0	0	112.6	F549	V547-F549 PolarHBondContact O-N 3.27Å
548	G	33.2	Very low	33.9	Very low	64.5 Å²	64.5	140.7 Å²	140.7	67%	0.665	74%	0.741	S	S	*	*			trans	-64.4	131.2	162.6	0	0	0	0	0	110.4	H546	H546-G548 PolarHBondContact O-N 2.85Å
549	F	30.7	Very low	34.3	Very low	200 Å²	200	145 Å²	145	88%	0.877	75%	0.748	S	S	*	*	S	Bend	trans	-12.5	125.4	170.7	-74.8	-91.8	0	0	0	116	V547 L551	V547-F549 PolarHBondContact O-N 3.27Å; F549-L551 PolarHBondContact O-N 3.1Å
550	S	32.2	Very low	34.4	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	74%	0.744	S	S	*	*			trans	13.1	111.8	144	-50.4	0	0	0	0	114.3	D552	S550-D552 PolarHBondContact O-N 3.38Å
551	L	27	Very low	34.9	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	75%	0.748	S	S	*	*	S	Bend		16.7	84.3	108.7	-98.2	172	0	0	0	115.3	F549	F549-L551 PolarHBondContact O-N 3.1Å
552	D	36.5	Very low	34.9	Very low	110.5 Å²	110.5	139.1 Å²	139.1	59%	0.591	75%	0.751	S	S	*	*				134.4	139.3	125.5	-138.9	-12.5	0	0	0	116.4	S550 G554 P590 R591	S550-D552 PolarHBondContact O-N 3.38Å; D552-G554 PolarHBondContact O-N 2.78Å; D552-P590 WeakPolarHBondContact OD1-CD 3.37Å; D552-P590 VanDerWaalsContact OD1-CG 3.24Å; D552-P590 WeakPolarHBondContact OD1-CG 3.36Å; D552-R591 IonicContact OD2-NE 3.72Å; D552-R591 PolarHBondContact OD2-NE 2.93Å
553	V	35.8	Very low	35.1	Very low	106.5 Å²	106.5	141.7 Å²	141.7	65%	0.645	76%	0.756	S	S	*	*			trans	-21.7	101.9	155.3	-177.7	0	0	0	0	115.2	E555 C589	V553-E555 PolarHBondContact O-N 3.48Å; V553-C589 HydrophobicContact CG1-CB 4.2Å; V553-C589 VanDerWaalsContact CG1-SG 3.59Å; V553-C589 HydrophobicContact CG2-CB 4.01Å
554	G	35.5	Very low	35.1	Very low	63.5 Å²	63.5	144.2 Å²	144.2	66%	0.655	77%	0.765	S	S	*	*			trans	-113.7	67.5	156.3	0	0	0	0	0	114	D552 I556	D552-G554 PolarHBondContact O-N 2.78Å; G554-I556 VanDerWaalsContact C-N 3.3Å; G554-I556 WeakPolarHBondContact O-CG1 3.34Å; G554-I556 PolarHBondContact O-N 3.05Å
555	E	36.9	Very low	35.1	Very low	140.5 Å²	140.5	147.4 Å²	147.4	66%	0.657	77%	0.77	S	S	*	*			trans	-69.7	106.8	-171.5	-117.9	-165.8	167.6	0	0	113.2	V553 E557	V553-E555 PolarHBondContact O-N 3.48Å; E555-E557 PolarHBondContact O-N 2.61Å
556	I	36.9	Very low	35.4	Very low	160.5 Å²	160.5	152.5 Å²	152.5	82%	0.823	79%	0.785	S	S	*	*			trans	-106	113.5	157	-38.6	176.4	0	0	0	110.1	G554 K558	G554-I556 VanDerWaalsContact C-N 3.3Å; G554-I556 WeakPolarHBondContact O-CG1 3.34Å; G554-I556 PolarHBondContact O-N 3.05Å; I556-K558 PolarHBondContact O-N 2.84Å
557	E	34.3	Very low	35.6	Very low	145.5 Å²	145.5	147.7 Å²	147.7	68%	0.68	78%	0.781	S	S	*	*			trans	-50.2	125.9	-176.2	-115.6	-170.3	168.4	0	0	113.8	E555 K559	E555-E557 PolarHBondContact O-N 2.61Å; E557-K559 VanDerWaalsContact C-N 3.26Å; E557-K559 HydrophobicContact CG-CG 4.28Å; E557-K559 PolarHBondContact O-N 2.96Å; E557-K559 VanDerWaalsContact OE1-CD 3.23Å; E557-K559 WeakPolarHBondContact OE1-CD 3.08Å; E557-K559 WeakPolarHBondContact OE1-CE 3.03Å; E557-K559 WeakPolarHBondContact OE1-CG 3.12Å; E557-K559 IonicContact OE1-NZ 3.35Å; E557-K559 PolarHBondContact OE1-NZ 3.48Å
558	K	43	Very low	35.8	Very low	207 Å²	207	152.4 Å²	152.4	90%	0.9	78%	0.784	S	S	*	*			trans	-86.4	81.2	173.2	-77.9	178.4	179.2	163.6	0	112.4	I556 G560	I556-K558 PolarHBondContact O-N 2.84Å; K558-G560 PolarHBondContact O-N 3.38Å; K558-G560 VanDerWaalsContact O-N 3.14Å
559	K	38.8	Very low	36	Very low	185.5 Å²	185.5	160.6 Å²	160.6	81%	0.807	80%	0.795	S	S	*	*			trans	-64.1	105	175.3	-78.5	-175.4	172.9	127.2	0	112	E557 K561	E557-K559 VanDerWaalsContact C-N 3.26Å; E557-K559 HydrophobicContact CG-CG 4.28Å; E557-K559 PolarHBondContact O-N 2.96Å; E557-K559 VanDerWaalsContact OE1-CD 3.23Å; E557-K559 WeakPolarHBondContact OE1-CD 3.08Å; E557-K559 WeakPolarHBondContact OE1-CE 3.03Å; E557-K559 WeakPolarHBondContact OE1-CG 3.12Å; E557-K559 IonicContact OE1-NZ 3.35Å; E557-K559 PolarHBondContact OE1-NZ 3.48Å; K559-K561 PolarHBondContact O-N 3.18Å; K559-K561 VanDerWaalsContact O-N 3.12Å
560	G	33.7	Very low	36.3	Very low	69 Å²	69	156.6 Å²	156.6	71%	0.711	79%	0.793	S	S	*	*			trans	-87.3	56.9	-160.3	0	0	0	0	0	118.5	K558	K558-G560 PolarHBondContact O-N 3.38Å; K558-G560 VanDerWaalsContact O-N 3.14Å
561	K	38.6	Very low	36.7	Very low	214 Å²	214	161.1 Å²	161.1	93%	0.93	80%	0.799	S	S	*	*			trans	155.8	108	164.5	-57	163	-175.4	164.3	0	113.2	K559	K559-K561 PolarHBondContact O-N 3.18Å; K559-K561 VanDerWaalsContact O-N 3.12Å
562	G	35.6	Very low	37.2	Very low	76 Å²	76	162.7 Å²	162.7	78%	0.784	80%	0.799	S	S	*	*				174.9	90.1	85.4	0	0	0	0	0	111.5
563	K	38.2	Very low	37.2	Very low	202.5 Å²	202.5	164.4 Å²	164.4	88%	0.88	80%	0.804	S	S	*	*			trans	-124.2	124.2	-178.2	-72.2	-179.8	178.8	172.2	0	112.4
564	K	36.8	Very low	37.2	Very low	202.5 Å²	202.5	170.2 Å²	170.2	88%	0.88	81%	0.814	S	S	*	*			trans	-145.5	151.4	165	-72.5	160.4	-172.9	172.8	0	109
565	R	36.2	Very low	37.1	Very low	238.5 Å²	238.5	177.6 Å²	177.6	90%	0.9	82%	0.822	S	S	*	*				150.8	148.2	89.2	-69.4	159.4	164.9	173.9	-6.2	110.1
566	R	37.4	Very low	37	Very low	247.5 Å²	247.5	182.7 Å²	182.7	93%	0.934	84%	0.835	S	S	*	*			cis	166.7	118	0.2	-121.3	174.6	-167.7	-171.3	3.2	110.3
567	G	37.2	Very low	37	Very low	69.5 Å²	69.5	178.7 Å²	178.7	72%	0.716	83%	0.834	S	S	*	*				133.5	125.8	79	0	0	0	0	0	114.3
568	R	38	Very low	37.2	Very low	233.5 Å²	233.5	182.4 Å²	182.4	88%	0.881	84%	0.842	S	S	*	*				133.5	146.9	-94.3	-99.5	175.1	-176.8	-173.8	-0.4	112.6
569	R	36.9	Very low	37	Very low	237 Å²	237	180.8 Å²	180.8	89%	0.894	84%	0.835	S	S	*	*				140.7	145.8	99.4	-94.4	162.8	-179.2	167.5	-2.6	112.5
570	S	37.2	Very low	37	Very low	117 Å²	117	179.3 Å²	179.3	82%	0.818	83%	0.831	S	S	*	*				-109.1	-171.2	84.2	122.8	0	0	0	0	111.8
571	K	40.9	Very low	37.1	Very low	196.5 Å²	196.5	179.5 Å²	179.5	85%	0.854	83%	0.833	S	S	*	*				-161.8	89.3	69.9	-138.6	-178.1	175.8	-174.7	0	109.2
572	K	36	Very low	37.1	Very low	194.5 Å²	194.5	178 Å²	178	85%	0.846	83%	0.829	S	S	*	*			trans	57.1	138.9	135.1	-102.6	-176.7	174.1	-146.6	0	113.8
573	E	36.9	Very low	37.2	Very low	145 Å²	145	181.9 Å²	181.9	68%	0.678	83%	0.827	S	S	*	*				-76.6	165.6	-108	-170.4	156.5	-178.8	0	0	112.6	R575	E573-R575 IonicContact OE1-CZ 3.88Å; E573-R575 IonicContact OE1-NE 3.48Å; E573-R575 IonicContact OE1-NH1 3.47Å; E573-R575 PolarHBondContact OE1-NH1 3.42Å
574	R	36.1	Very low	37.3	Very low	229 Å²	229	179.1 Å²	179.1	86%	0.864	82%	0.822	S	S	*	*			trans	-134.7	112.6	-179.8	-99	-176.8	75.9	161.6	5.2	114.3
575	R	33.7	Very low	37.3	Very low	218 Å²	218	176.1 Å²	176.1	82%	0.823	81%	0.81	S	S	*	*			trans	-36.5	146.3	162.4	-66.5	172.2	162.1	155.6	-12.6	115.3	E573	E573-R575 IonicContact OE1-CZ 3.88Å; E573-R575 IonicContact OE1-NE 3.48Å; E573-R575 IonicContact OE1-NH1 3.47Å; E573-R575 PolarHBondContact OE1-NH1 3.42Å
576	R	35.6	Very low	37.3	Very low	247.5 Å²	247.5	170.6 Å²	170.6	93%	0.934	80%	0.799	S	S	*	*			trans	127.9	128.3	154.4	-78.7	172.8	-178.8	-178.3	0.1	112.2
577	G	35.2	Very low	37.2	Very low	78 Å²	78	162.8 Å²	162.8	80%	0.804	78%	0.78	S	S	*	*				162.4	65	-99.4	0	0	0	0	0	114	K579	G577-K579 PolarHBondContact O-N 2.91Å
578	R	39.2	Very low	37.2	Very low	222 Å²	222	164.5 Å²	164.5	84%	0.838	78%	0.779	S	S	*	*			trans	-120.7	128.1	171.3	-138.3	-171.8	-165.3	-158.5	7.1	109.5	E580	R578-E580 WeakPolarHBondContact CD-OE1 3.38Å; R578-E580 IonicContact CZ-OE1 2.57Å; R578-E580 IonicContact NE-OE1 3.42Å; R578-E580 IonicContact NH1-OE1 2.81Å; R578-E580 PolarHBondContact NH1-OE1 3.02Å
579	K	39.6	Very low	36.8	Very low	173 Å²	173	158 Å²	158	75%	0.752	77%	0.768	S	S	*	*				135.8	129.5	129.8	-86	-168.2	157.8	-117.3	0	108.7	G577	G577-K579 PolarHBondContact O-N 2.91Å
580	E	38.8	Very low	36.9	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.724	76%	0.758	S	S	*	*			cis	142.3	144.7	28.6	-53.8	179.2	164.6	0	0	110.4	R578	R578-E580 WeakPolarHBondContact CD-OE1 3.38Å; R578-E580 IonicContact CZ-OE1 2.57Å; R578-E580 IonicContact NE-OE1 3.42Å; R578-E580 IonicContact NH1-OE1 2.81Å; R578-E580 PolarHBondContact NH1-OE1 3.02Å
581	G	35.6	Very low	36.5	Very low	72.5 Å²	72.5	156.3 Å²	156.3	75%	0.747	76%	0.757	S	S	*	*				125.4	130.8	-82.8	0	0	0	0	0	112.6
582	E	38.8	Very low	36.1	Very low	183.5 Å²	183.5	154.4 Å²	154.4	86%	0.857	76%	0.755	S	S	*	*				143.6	153.8	82.9	-113.6	169.4	170.5	0	0	114.7
583	E	37.6	Very low	36.1	Very low	158 Å²	158	150.5 Å²	150.5	74%	0.738	75%	0.753	S	S	*	*				-125.6	137.5	-100.1	-84.9	169.2	143.1	0	0	108.2
584	D	38.9	Very low	35.9	Very low	143.5 Å²	143.5	152.8 Å²	152.8	77%	0.767	76%	0.755	S	S	*	*				-158.9	128	69.9	-151.5	-21	0	0	0	108.1
585	Q	37.3	Very low	35.8	Very low	138.5 Å²	138.5	148.4 Å²	148.4	65%	0.647	74%	0.744	S	S	*	*				69.5	114.2	129.3	-56.5	-68.7	-51.6	0	0	115.6
586	N	35.3	Very low	35.7	Very low	123.5 Å²	123.5	143.7 Å²	143.7	66%	0.66	74%	0.735	S	S	*	*				-154.2	160.5	63.8	-97.4	-33.7	0	0	0	111.5
587	P	37.2	Very low	35.9	Very low	83.5 Å²	83.5	138 Å²	138	54%	0.542	72%	0.722	S	S	.	*			trans	-102.7	-168.5	-161.1	41.1	-36	0	0	0	115
588	P	36.6	Very low	36	Very low	106 Å²	106	140.4 Å²	140.4	69%	0.688	72%	0.717	S	S	*	*			trans	-104.2	163	-145.7	30.7	-18	0	0	0	116.1
589	C	28.7	Very low	36	Very low	97.5 Å²	97.5	137.9 Å²	137.9	66%	0.659	72%	0.715	S	S	*	*			trans	-111.7	156.4	177.7	-44.1	0	0	0	0	112.7	V553 R591	V553-C589 HydrophobicContact CG1-CB 4.2Å; V553-C589 VanDerWaalsContact CG1-SG 3.59Å; V553-C589 HydrophobicContact CG2-CB 4.01Å; C589-R591 HydrophobicContact CB-CB 4.32Å; C589-R591 HydrophobicContact CB-CG 4.16Å
590	P	39.3	Very low	35.8	Very low	102.5 Å²	102.5	137.9 Å²	137.9	67%	0.666	72%	0.715	S	S	*	*			trans	-110	155.4	158.6	20.6	-5.2	0	0	0	112.3	D552	D552-P590 WeakPolarHBondContact OD1-CD 3.37Å; D552-P590 VanDerWaalsContact OD1-CG 3.24Å; D552-P590 WeakPolarHBondContact OD1-CG 3.36Å
591	R	28.9	Very low	35.5	Very low	214 Å²	214	133.3 Å²	133.3	81%	0.808	71%	0.709	S	S	*	*				73.7	114.9	101.2	-72.7	-168.8	178.8	-151.3	-2.3	116.7	D552 C589	D552-R591 IonicContact OD2-NE 3.72Å; D552-R591 PolarHBondContact OD2-NE 2.93Å; C589-R591 HydrophobicContact CB-CB 4.32Å; C589-R591 HydrophobicContact CB-CG 4.16Å
592	L	32.6	Very low	35.7	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	71%	0.708	S	S	*	*			trans	153.1	143.8	145.3	-58.4	-178.8	0	0	0	111.1	H1034	L592-H1034 VanDerWaalsContact C-ND1 3.35Å; L592-H1034 WeakPolarHBondContact CA-ND1 3.39Å; L592-H1034 WeakPolarHBondContact CB-CE1 3.39Å; L592-H1034 WeakPolarHBondContact CB-ND1 3.23Å; L592-H1034 WeakPolarHBondContact CD2-ND1 3.29Å
593	S	35.6	Very low	35.4	Very low	113.5 Å²	113.5	134.6 Å²	134.6	79%	0.794	71%	0.705	S	S	*	*			cis	-149.7	139.3	-10.9	45.4	0	0	0	0	105.3	H1034	S593-H1034 VanDerWaalsContact CA-CB 3.48Å; S593-H1034 WeakPolarHBondContact CA-CD2 3.35Å; S593-H1034 WeakPolarHBondContact CA-CE1 3.49Å; S593-H1034 WeakPolarHBondContact CA-ND1 3.43Å; S593-H1034 WeakPolarHBondContact CA-NE2 3.42Å; S593-H1034 WeakPolarHBondContact CB-CD2 3.48Å; S593-H1034 WeakPolarHBondContact CB-CE1 3.2Å; S593-H1034 WeakPolarHBondContact CB-ND1 2.93Å; S593-H1034 WeakPolarHBondContact CB-NE2 3.39Å; S593-H1034 PolarHBondContact N-CE1 2.66Å; S593-H1034 PolarHBondContact N-ND1 2.51Å; S593-H1034 PolarHBondContact N-NE2 3.26Å; S593-H1034 PolarHBondContact O-CD2 2.65Å; S593-H1034 PolarHBondContact O-NE2 3.33Å; S593-H1034 PolarHBondContact OG-CD2 3.31Å; S593-H1034 PolarHBondContact OG-CE1 3.41Å; S593-H1034 PolarHBondContact OG-ND1 2.76Å; S593-H1034 PolarHBondContact OG-NE2 2.95Å
594	R	33	Very low	35.4	Very low	192 Å²	192	133.1 Å²	133.1	73%	0.725	71%	0.706	S	S	*	*			trans	-105.2	120.1	164.6	170.5	-158.8	177.2	176.6	1.2	110.3	E1032 K1033 H1034	R594-E1032 PolarHBondContact N-O 3.42Å; R594-K1033 VanDerWaalsContact N-C 3.28Å; R594-H1034 PolarHBondContact N-CD2 2.65Å; R594-H1034 VanDerWaalsContact O-CB 3.31Å; R594-H1034 WeakPolarHBondContact O-CB 3.41Å; R594-H1034 PolarHBondContact O-CD2 2.67Å; R594-H1034 PolarHBondContact O-N 3.21Å; R594-H1034 VanDerWaalsContact O-N 3.09Å
595	E	35.2	Very low	35.1	Very low	136.5 Å²	136.5	133 Å²	133	64%	0.638	71%	0.705	S	S	*	*			trans	-167.6	110.2	148	-102.8	152.4	-156	0	0	109.3	H1034	E595-H1034 PolarHBondContact N-CD2 3.34Å
596	L	31.5	Very low	35	Very low	121 Å²	121	134.3 Å²	134.3	63%	0.634	71%	0.711	S	S	*	*				143.8	114.7	115.2	-63.2	-178	0	0	0	107.7	L1039	L596-L1039 HydrophobicContact CD2-CD1 4.01Å; L596-L1039 HydrophobicContact CD2-CD2 3.57Å; L596-L1039 HydrophobicContact CD2-CG 3.73Å
597	L	39.7	Very low	35	Very low	126 Å²	126	135.3 Å²	135.3	66%	0.66	72%	0.717	S	S	*	*				150.5	133.4	58.7	-66	165	0	0	0	110.6	L1039	L597-L1039 HydrophobicContact CD1-CD1 3.6Å; L597-L1039 HydrophobicContact CD1-CG 4.06Å
598	D	36.8	Very low	34.7	Very low	129.5 Å²	129.5	136.2 Å²	136.2	69%	0.693	73%	0.725	S	S	*	*				132.7	120.4	58.6	-83.5	-40.9	0	0	0	114.7
599	E	38.3	Very low	34.6	Very low	169 Å²	169	139.5 Å²	139.5	79%	0.79	74%	0.736	S	S	*	*			trans	113.7	138	133.7	-76.1	-160.5	147.1	0	0	115.2
600	K	37.2	Very low	34.9	Very low	174 Å²	174	141.5 Å²	141.5	76%	0.757	74%	0.74	S	S	*	*			cis	150.7	122.9	30.9	-98.2	-145.4	-173.5	158.4	0	112.3
601	G	32.4	Very low	34.6	Very low	58.6667 Å²	58.6667	147.9 Å²	147.9	61%	0.605	75%	0.751	S	S	*	*			trans	-176.5	152.2	157.7	0	0	0	0	0	114.7
602	P	38.2	Very low	34.6	Very low	109.333 Å²	109.333	142.8 Å²	142.8	71%	0.71	75%	0.747	S	S	*	*			trans	-117.6	152.4	154.7	40.3	-30.1	0	0	0	115.9
603	E	33.7	Very low	34.5	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	74%	0.744	S	S	*	*			trans	48.8	124.9	157.4	-63.4	-170.2	173.1	0	0	117.6
604	V	36.2	Very low	34.2	Very low	125 Å²	125	143.5 Å²	143.5	76%	0.758	74%	0.736	S	S	*	*				113	131.7	96.4	-170.6	0	0	0	0	117.4
605	L	33.2	Very low	34.1	Very low	142.667 Å²	142.667	139.8 Å²	139.8	75%	0.747	74%	0.735	S	S	*	*			trans	171.3	128.6	150.8	-72	166	0	0	0	113.4
606	Q	36.5	Very low	34	Very low	165.333 Å²	165.333	138.3 Å²	138.3	77%	0.773	74%	0.737	S	S	*	*				91.5	131.8	104.3	-78.2	-176.3	-50.6	0	0	115.9
607	D	34.2	Very low	33.9	Very low	145.333 Å²	145.333	138.1 Å²	138.1	78%	0.777	75%	0.746	S	S	*	*				-143.1	137.2	96	-88.7	-50.8	0	0	0	109.3
608	S	32	Very low	33.4	Very low	101.667 Å²	101.667	135.5 Å²	135.5	71%	0.711	75%	0.75	S	S	*	*				100	115.6	123.1	78.5	0	0	0	0	114.1	D610	S608-D610 PolarHBondContact O-N 3.43Å
609	L	33.5	Very low	33	Very low	174.333 Å²	174.333	135.1 Å²	135.1	91%	0.913	76%	0.755	S	S	*	*			trans	-139.5	126.9	152.6	-100.7	171.7	0	0	0	110.4
610	D	34.7	Very low	32.6	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	75%	0.753	S	S	*	*			trans	-93.2	112.7	-174.1	-84.7	-59.3	0	0	0	115.2	S608	S608-D610 PolarHBondContact O-N 3.43Å
611	R	33.3	Very low	32.4	Very low	237 Å²	237	133.3 Å²	133.3	89%	0.894	75%	0.754	S	S	*	*			trans	-166.3	128.6	132.3	-124.1	160.1	-136.4	-125	-6.1	113.4
612	C	29.6	Very low	32.2	Very low	106.333 Å²	106.333	138.2 Å²	138.2	72%	0.718	77%	0.765	S	S	*	*			trans	-82.9	147.8	175.8	-52.3	0	0	0	0	112.3
613	Y	29	Very low	31.8	Very low	195.667 Å²	195.667	138.3 Å²	138.3	77%	0.767	76%	0.764	S	S	*	*			trans	-178.5	132.1	138	-75.2	-62.9	0	0	0	112.9	E817	Y613-E817 HydrophobicContact CD1-CG 4.31Å; Y613-E817 HydrophobicContact CE1-CB 4.31Å; Y613-E817 HydrophobicContact CE1-CG 3.57Å; Y613-E817 PolarHBondContact OH-OE1 2.67Å; Y613-E817 PolarHBondContact OH-OE2 2.74Å
614	S	29.9	Very low	31.6	Very low	89.3333 Å²	89.3333	136.8 Å²	136.8	63%	0.625	76%	0.761	S	S	*	*			trans	170	110.4	167.7	-96.6	0	0	0	0	113.8	R819	S614-R819 WeakPolarHBondContact O-CB 3.12Å; S614-R819 VanDerWaalsContact O-CD 3.25Å; S614-R819 WeakPolarHBondContact O-CD 3.25Å; S614-R819 WeakPolarHBondContact O-CG 2.97Å; S614-R819 PolarHBondContact O-NE 2.73Å; S614-R819 PolarHBondContact OG-NH2 2.7Å
615	T	30.5	Very low	31.3	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	76%	0.762	S	S	*	*			trans	42.7	153.3	140.6	14.1	0	0	0	0	116.6	R818	T615-R818 PolarHBondContact OG1-O 3.47Å
616	P	34.3	Very low	31.1	Very low	105 Å²	105	134.7 Å²	134.7	68%	0.682	76%	0.763	S	S	*	*				-119	173.8	-113.6	26	-9.7	0	0	0	115.1	R819	P616-R819 VanDerWaalsContact CA-NH2 3.34Å
617	S	29.2	Very low	31	Very low	116.333 Å²	116.333	134.7 Å²	134.7	81%	0.814	76%	0.763	S	S	*	*			trans	-135.3	126.4	159.3	74.8	0	0	0	0	112.8
618	G	29.1	Very low	30.8	Very low	72 Å²	72	133 Å²	133	74%	0.742	76%	0.76	S	S	*	*			trans	81.6	125.3	133.4	0	0	0	0	0	117.4
619	C	27.8	Very low	30.6	Very low	120.667 Å²	120.667	137.9 Å²	137.9	82%	0.815	76%	0.764	S	S	*	*			trans	75.6	137.3	150	-72.2	0	0	0	0	114.9
620	L	30.5	Very low	30.3	Very low	140 Å²	140	139.6 Å²	139.6	73%	0.733	76%	0.758	S	S	*	*			trans	86.4	116.7	134.4	-71.5	166.7	0	0	0	113.3
621	E	31.6	Very low	30.1	Very low	166 Å²	166	137.9 Å²	137.9	78%	0.776	76%	0.757	S	S	*	*				55.1	93.6	94.1	-60.3	173.3	-171	0	0	115.5	T623	E621-T623 PolarHBondContact O-N 2.97Å
622	L	29.6	Very low	30	Very low	160.667 Å²	160.667	130 Å²	130	84%	0.841	74%	0.743	S	S	*	*				-104.8	143.4	108.5	-89.5	173.6	0	0	0	108.5	D624	L622-D624 PolarHBondContact O-N 2.96Å
623	T	30.1	Very low	30	Very low	113 Å²	113	133.6 Å²	133.6	69%	0.693	75%	0.747	S	S	*	*				-97.6	137.9	125.6	-14	0	0	0	0	109	E621 S625	E621-T623 PolarHBondContact O-N 2.97Å; T623-S625 PolarHBondContact O-N 2.83Å; T623-S625 VanDerWaalsContact O-N 3.09Å
624	D	29.3	Very low	29.9	Very low	141.333 Å²	141.333	133.8 Å²	133.8	76%	0.756	75%	0.748	S	S	*	*			trans	-61.8	120.9	131.8	-71.4	-43.1	0	0	0	117.1	L622 C626	L622-D624 PolarHBondContact O-N 2.96Å; D624-C626 PolarHBondContact O-N 3.42Å
625	S	29.1	Very low	30.2	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	75%	0.752	S	S	*	*			trans	-112.9	102.8	148.2	65.9	0	0	0	0	115	T623 Q627	T623-S625 PolarHBondContact O-N 2.83Å; T623-S625 VanDerWaalsContact O-N 3.09Å; S625-Q627 PolarHBondContact O-N 3.1Å
626	C	29.4	Very low	30.3	Very low	112.667 Å²	112.667	136.2 Å²	136.2	76%	0.761	75%	0.747	S	S	*	*			trans	-60.5	103.7	158.7	-70.4	0	0	0	0	114.1	D624	D624-C626 PolarHBondContact O-N 3.42Å
627	Q	33.3	Very low	30.2	Very low	167 Å²	167	138.3 Å²	138.3	78%	0.78	75%	0.748	S	S	*	*			trans	-83.9	111.9	151.5	-74.6	-73.1	-19.5	0	0	112.9	S625	S625-Q627 PolarHBondContact O-N 3.1Å
628	P	31.7	Very low	30.4	Very low	109.667 Å²	109.667	139.8 Å²	139.8	71%	0.712	74%	0.742	S	S	*	*			trans	-86.5	129.6	178.9	18.1	-12.6	0	0	0	112.8	R630	P628-R630 PolarHBondContact O-N 3.17Å
629	Y	26.7	Very low	30.6	Very low	204.667 Å²	204.667	143.9 Å²	143.9	80%	0.803	74%	0.742	S	S	*	*			trans	-13.8	137.8	159.6	-91.6	-102.9	0	0	0	115.4
630	R	28.6	Very low	30.7	Very low	209.333 Å²	209.333	143.6 Å²	143.6	79%	0.79	74%	0.739	S	S	*	*				-92.7	123.5	119	-95.4	172.6	-173	-152.7	-0.4	112.1	P628 A632	P628-R630 PolarHBondContact O-N 3.17Å; R630-A632 HydrophobicContact CG-CB 4.37Å
631	S	30.2	Very low	30.9	Very low	104.333 Å²	104.333	143.3 Å²	143.3	73%	0.73	74%	0.743	S	S	*	*				-89.3	147.4	113.6	58.7	0	0	0	0	115.3	F633	S631-F633 PolarHBondContact O-N 2.87Å
632	A	29.9	Very low	30.9	Very low	72.3333 Å²	72.3333	138.6 Å²	138.6	60%	0.598	74%	0.74	S	S	*	*			trans	157.1	133	-176.7	0	0	0	0	0	113.2	R630	R630-A632 HydrophobicContact CG-CB 4.37Å
633	F	29.4	Very low	31.1	Very low	181 Å²	181	138.7 Å²	138.7	79%	0.794	74%	0.74	S	S	*	*			trans	-108.6	134.1	156.1	-87.9	-96.7	0	0	0	111.1	S631 I635	S631-F633 PolarHBondContact O-N 2.87Å; F633-I635 PolarHBondContact O-N 3.22Å
634	Y	28.6	Very low	31.3	Very low	200.667 Å²	200.667	137.9 Å²	137.9	79%	0.787	75%	0.745	S	S	*	*			trans	-51.5	123.2	172.7	-72.9	-98.4	0	0	0	112.6	L636	Y634-L636 PolarHBondContact O-N 2.8Å; Y634-L636 VanDerWaalsContact O-N 3.13Å
635	I	34.8	Very low	31.5	Very low	141.667 Å²	141.667	136.8 Å²	136.8	73%	0.726	74%	0.743	S	S	*	*			trans	-105.8	112.1	132.4	-63.5	172.8	0	0	0	107.2	F633 E637	F633-I635 PolarHBondContact O-N 3.22Å; I635-E637 VanDerWaalsContact C-N 3.28Å; I635-E637 HydrophobicContact CG2-CB 4.43Å; I635-E637 PolarHBondContact O-N 2.88Å
636	L	32.7	Very low	31.9	Very low	112 Å²	112	138.6 Å²	138.6	59%	0.586	74%	0.744	S	S	*	*				-72.3	122.1	88	-134.5	89.6	0	0	0	109.3	Y634 Q638 E995 V998	Y634-L636 PolarHBondContact O-N 2.8Å; Y634-L636 VanDerWaalsContact O-N 3.13Å; L636-Q638 VanDerWaalsContact C-N 3.33Å; L636-Q638 PolarHBondContact O-N 3.18Å; L636-E995 VanDerWaalsContact CA-OE2 3.23Å; L636-E995 WeakPolarHBondContact CA-OE2 3.01Å; L636-E995 WeakPolarHBondContact CB-OE2 3.23Å; L636-E995 PolarHBondContact N-OE2 2.97Å; L636-V998 HydrophobicContact CD2-CG1 4.24Å
637	E	31.6	Very low	32.1	Very low	148.333 Å²	148.333	140.4 Å²	140.4	69%	0.693	74%	0.743	S	S	*	*			trans	68.7	67.9	166.7	-137.1	168.2	-112.5	0	0	116	I635 E995	I635-E637 VanDerWaalsContact C-N 3.28Å; I635-E637 HydrophobicContact CG2-CB 4.43Å; I635-E637 PolarHBondContact O-N 2.88Å; E637-E995 PolarHBondContact N-OE1 2.81Å
638	Q	33.4	Very low	32.5	Very low	148 Å²	148	140 Å²	140	69%	0.692	75%	0.746	S	S	*	*			trans	-139.9	148.3	137.8	-86.2	-152	107.8	0	0	111.6	L636 C640 L999	L636-Q638 VanDerWaalsContact C-N 3.33Å; L636-Q638 PolarHBondContact O-N 3.18Å; Q638-C640 PolarHBondContact O-N 3.16Å; Q638-L999 PolarHBondContact OE1-O 2.59Å
639	Q	33.4	Very low	32.8	Very low	159 Å²	159	143 Å²	143	74%	0.743	75%	0.751	S	S	*	*			trans	-109.5	134.8	161.8	-70.8	-176.9	-43.2	0	0	111.3	V641 V998	Q639-V641 HydrophobicContact CB-CG2 3.79Å; Q639-V641 PolarHBondContact O-N 2.92Å; Q639-V998 VanDerWaalsContact CD-O 3.29Å; Q639-V998 WeakPolarHBondContact CG-O 3.27Å; Q639-V998 PolarHBondContact NE2-O 3.45Å
640	C	31.5	Very low	33.4	Very low	113.333 Å²	113.333	139.9 Å²	139.9	77%	0.766	75%	0.747	S	S	*	*			trans	-133.1	113.8	154.1	-89.8	0	0	0	0	110.2	Q638 G642	Q638-C640 PolarHBondContact O-N 3.16Å; C640-G642 PolarHBondContact O-N 3.31Å; C640-G642 VanDerWaalsContact O-N 3.09Å
641	V	33.2	Very low	33.8	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	75%	0.746	S	S	*	*			trans	-49.1	98.5	163.3	-178.2	0	0	0	0	112.2	Q639 L643	Q639-V641 HydrophobicContact CB-CG2 3.79Å; Q639-V641 PolarHBondContact O-N 2.92Å; V641-L643 PolarHBondContact O-N 2.92Å; V641-L643 VanDerWaalsContact O-N 3.14Å
642	G	31.7	Very low	34.2	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	75%	0.745	S	S	*	*			trans	-105.1	151.5	165.6	0	0	0	0	0	111.3	C640 A644	C640-G642 PolarHBondContact O-N 3.31Å; C640-G642 VanDerWaalsContact O-N 3.09Å; G642-A644 PolarHBondContact O-N 3.47Å
643	L	34.8	Very low	34.3	Very low	163 Å²	163	146.9 Å²	146.9	85%	0.853	75%	0.754	S	S	*	*			trans	-69.6	116.4	172.3	-71.7	174.1	0	0	0	111.3	V641 V645	V641-L643 PolarHBondContact O-N 2.92Å; V641-L643 VanDerWaalsContact O-N 3.14Å; L643-V645 HydrophobicContact CB-CG2 4.46Å; L643-V645 PolarHBondContact O-N 2.92Å
644	A	33.2	Very low	34.8	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	75%	0.753	S	S	*	*			trans	-98.6	136.3	149.5	0	0	0	0	0	109.3	G642	G642-A644 PolarHBondContact O-N 3.47Å
645	V	34.9	Very low	35.1	Very low	118.667 Å²	118.667	143.8 Å²	143.8	72%	0.719	75%	0.75	S	S	*	*			trans	-152.6	119.1	169.5	-180	0	0	0	0	108.5	L643 M647	L643-V645 HydrophobicContact CB-CG2 4.46Å; L643-V645 PolarHBondContact O-N 2.92Å; V645-M647 PolarHBondContact O-N 2.87Å
646	D	36.8	Very low	35.4	Very low	147.333 Å²	147.333	143.2 Å²	143.2	79%	0.788	75%	0.753	S	S	*	*			trans	-61.1	129.4	-174.1	-77.1	-31.9	0	0	0	113.8
647	M	34.2	Very low	35.8	Very low	151 Å²	151	145.9 Å²	145.9	74%	0.744	76%	0.762	S	S	*	*			trans	-77.9	85.8	158.8	-91.8	-138.6	-19.9	0	0	113.3	V645 E649 I650	V645-M647 PolarHBondContact O-N 2.87Å; M647-E649 HydrophobicContact CE-CG 4.46Å; M647-I650 HydrophobicContact CE-CD1 4.18Å; M647-I650 HydrophobicContact CG-CD1 3.56Å; M647-I650 HydrophobicContact CG-CG1 3.83Å; M647-I650 HydrophobicContact SD-CD1 3.88Å
648	D	40.8	Very low	35.9	Very low	158 Å²	158	147 Å²	147	85%	0.845	77%	0.767	S	S	*	*			trans	-144.5	113.9	140.3	-91.8	-27.8	0	0	0	112.4
649	E	38.5	Very low	36.1	Very low	172 Å²	172	146.2 Å²	146.2	80%	0.804	77%	0.768	S	S	*	*			trans	-23.3	95.6	160	-67.7	-169.1	168.7	0	0	115.7	M647	M647-E649 HydrophobicContact CE-CG 4.46Å
650	I	40.1	Very low	36.2	Very low	140.667 Å²	140.667	146.7 Å²	146.7	72%	0.721	77%	0.77	S	S	*	*				-153.2	106	119.8	-62.9	177.8	0	0	0	110.5	M647	M647-I650 HydrophobicContact CE-CD1 4.18Å; M647-I650 HydrophobicContact CG-CD1 3.56Å; M647-I650 HydrophobicContact CG-CG1 3.83Å; M647-I650 HydrophobicContact SD-CD1 3.88Å
651	E	37	Very low	36.3	Very low	164.333 Å²	164.333	148 Å²	148	77%	0.768	77%	0.77	S	S	*	*			trans	69.5	145.7	162.4	-63.5	-168.9	157.4	0	0	115.3
652	K	37.9	Very low	36.5	Very low	161.333 Å²	161.333	146.7 Å²	146.7	70%	0.701	76%	0.764	S	S	*	*			cis	174.2	133.9	4.8	-113.8	176.6	-177.5	173.8	0	113
653	Y	32.4	Very low	36.7	Very low	205.667 Å²	205.667	149.1 Å²	149.1	81%	0.807	77%	0.77	S	S	*	*			trans	42.2	81.8	164.4	-62.4	-72.1	0	0	0	113.9	E655	Y653-E655 VanDerWaalsContact C-N 3.33Å; Y653-E655 HydrophobicContact CD1-CG 4.25Å
654	Q	39.8	Very low	36.5	Very low	165 Å²	165	146.4 Å²	146.4	77%	0.771	76%	0.764	S	S	*	*				-136.9	102.2	109.2	-152.2	170.9	0.7	0	0	109.5	V656	Q654-V656 PolarHBondContact O-N 3.17Å
655	E	34.7	Very low	36.7	Very low	151.667 Å²	151.667	147.3 Å²	147.3	71%	0.709	76%	0.761	S	S	*	*				35	123	123.6	-96.6	169.8	-172.4	0	0	112.1	Y653	Y653-E655 VanDerWaalsContact C-N 3.33Å; Y653-E655 HydrophobicContact CD1-CG 4.25Å
656	V	40.8	Very low	36.6	Very low	130.333 Å²	130.333	152.8 Å²	152.8	79%	0.79	77%	0.769	S	S	*	*			trans	-71.5	135.9	159.3	-176.5	0	0	0	0	108.8	Q654 E658	Q654-V656 PolarHBondContact O-N 3.17Å; V656-E658 PolarHBondContact O-N 2.59Å
657	E	40.4	Very low	36.4	Very low	168.667 Å²	168.667	153.7 Å²	153.7	79%	0.788	77%	0.773	S	S	*	*			trans	-90.3	151.6	-168.9	-112.4	159.4	173.3	0	0	110.5
658	E	34.4	Very low	36.3	Very low	170.333 Å²	170.333	151.5 Å²	151.5	80%	0.796	77%	0.772	S	S	*	*				17.5	128.2	130	-83	177	168.1	0	0	115.6	V656	V656-E658 PolarHBondContact O-N 2.59Å
659	D	37	Very low	36.3	Very low	132.667 Å²	132.667	154.3 Å²	154.3	71%	0.709	77%	0.771	S	S	*	*				167.3	133	106.9	-111.3	-19.8	0	0	0	115.3
660	Q	35.8	Very low	36.2	Very low	167.667 Å²	167.667	153.2 Å²	153.2	78%	0.783	77%	0.766	S	S	*	*				39.8	129.9	124.6	-69.2	169.2	56.4	0	0	119.5
661	D	34.6	Very low	35.8	Very low	142.333 Å²	142.333	152.7 Å²	152.7	76%	0.761	76%	0.764	S	S	*	*				-89.8	151.6	120.7	-104.4	-37.4	0	0	0	113.8
662	P	37	Very low	35.8	Very low	107 Å²	107	151.5 Å²	151.5	70%	0.695	76%	0.762	S	S	*	*			cis	-121.8	159.2	-19.6	38	-25.1	0	0	0	114.2
663	S	36.3	Very low	35.9	Very low	118.333 Å²	118.333	150.3 Å²	150.3	83%	0.828	76%	0.763	S	S	*	*			trans	-174.5	123.2	135.3	-37.2	0	0	0	0	114.3
664	C	29.8	Very low	36	Very low	106.333 Å²	106.333	147.8 Å²	147.8	72%	0.718	76%	0.759	S	S	*	*			trans	-91.1	165.1	137.3	-95.6	0	0	0	0	111.1
665	P	37.1	Very low	36	Very low	113.333 Å²	113.333	147.1 Å²	147.1	74%	0.736	75%	0.754	S	S	*	*			cis	-124.1	145.2	-19.5	36	-22.9	0	0	0	114.8
666	R	33.6	Very low	36	Very low	234.333 Å²	234.333	147.3 Å²	147.3	88%	0.884	75%	0.754	S	S	*	*			trans	50.5	141.5	137.3	-83.3	-174.8	166.2	165.2	-1.1	117.5
667	L	31.4	Very low	36.1	Very low	166 Å²	166	145.7 Å²	145.7	87%	0.869	75%	0.747	S	S	*	*			trans	-47.6	141.5	176.3	-56.7	176	0	0	0	111.6
668	S	33.8	Very low	35.8	Very low	105.333 Å²	105.333	146.4 Å²	146.4	74%	0.737	75%	0.75	S	S	*	*			trans	-160.8	119.9	142.6	23.5	0	0	0	0	111.4
669	R	39.7	Very low	36	Very low	218 Å²	218	144.3 Å²	144.3	82%	0.823	75%	0.748	S	S	*	*				92.5	126.3	84.9	-173.8	-175.8	-167.7	159.1	3.6	112.5	L671	R669-L671 PolarHBondContact O-N 2.96Å
670	E	35.9	Very low	35.8	Very low	147.667 Å²	147.667	145.8 Å²	145.8	69%	0.69	76%	0.756	S	S	*	*			trans	-176.8	123.3	176.4	-70.5	158.7	-170.1	0	0	109.4	S445 I446 P447	S445-E670 WeakPolarHBondContact CB-OE1 3.17Å; S445-E670 PolarHBondContact OG-OE1 3.08Å; I446-E670 HydrophobicContact CB-CG 3.7Å; I446-E670 HydrophobicContact CG2-CG 3.68Å; I446-E670 WeakPolarHBondContact O-CG 3.26Å; P447-E670 HydrophobicContact CB-CB 4.24Å; P447-E670 HydrophobicContact CB-CG 4.04Å; P447-E670 HydrophobicContact CG-CG 4.44Å
671	L	32.5	Very low	36	Very low	130.667 Å²	130.667	145.8 Å²	145.8	68%	0.684	76%	0.756	S	S	*	*				-153.3	130.7	61.3	-89	171.9	0	0	0	110	I446 P447 R669 D673	I446-L671 HydrophobicContact CG2-CD1 4.05Å; I446-L671 HydrophobicContact CG2-CG 4.29Å; P447-L671 HydrophobicContact CB-CD2 3.52Å; P447-L671 HydrophobicContact CB-CG 3.72Å; R669-L671 PolarHBondContact O-N 2.96Å; L671-D673 PolarHBondContact O-N 3.23Å
672	L	36	Very low	36	Very low	138.333 Å²	138.333	145.5 Å²	145.5	72%	0.724	75%	0.754	S	S	*	*			trans	34.5	127.8	168	-65.9	167.4	0	0	0	114.7
673	D	40	Very low	35.9	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	75%	0.754	S	S	*	*				-127.8	143.8	60.6	-120.3	-13	0	0	0	115.1	L671	L671-D673 PolarHBondContact O-N 3.23Å
674	E	36.3	Very low	35.9	Very low	154 Å²	154	146.1 Å²	146.1	72%	0.72	75%	0.749	S	S	*	*			trans	-47.2	145	144.2	-72.4	-162	159.9	0	0	118.4
675	K	39.2	Very low	36	Very low	150.667 Å²	150.667	148.3 Å²	148.3	66%	0.655	75%	0.754	S	S	*	*			trans	84.8	100.3	131.1	-72	-88.2	173.9	-122.6	0	117.3
676	E	35	Very low	36	Very low	155 Å²	155	152.3 Å²	152.3	72%	0.724	75%	0.754	S	S	*	*				38.3	165	83	-96.4	177.4	160	0	0	114.2
677	P	41.2	Very low	35.7	Very low	96.6667 Å²	96.6667	145.3 Å²	145.3	63%	0.628	74%	0.74	S	S	*	*			cis	-121.9	170.1	26.3	39.5	-26.2	0	0	0	114.4
678	E	36	Very low	35.7	Very low	184.667 Å²	184.667	147.3 Å²	147.3	86%	0.863	74%	0.738	S	S	*	*				-157.1	136	110.7	-82.7	172.7	-168.5	0	0	114.4	L680	E678-L680 PolarHBondContact O-N 3.32Å
679	V	37.7	Very low	35.5	Very low	124.667 Å²	124.667	147.1 Å²	147.1	76%	0.756	74%	0.737	S	S	*	*			trans	-136.6	115.9	130.1	-159.3	0	0	0	0	111.7	Q681	V679-Q681 PolarHBondContact O-N 3.03Å
680	L	32.9	Very low	35.2	Very low	165.667 Å²	165.667	142.8 Å²	142.8	87%	0.867	73%	0.729	S	S	*	*			trans	-51.4	115.1	152.8	-92.5	172.4	0	0	0	112.8	E678	E678-L680 PolarHBondContact O-N 3.32Å
681	Q	39.2	Very low	34.9	Very low	167 Å²	167	141 Å²	141	78%	0.78	73%	0.729	S	S	*	*			trans	-140.9	138.2	149.9	-93.1	155.2	28.9	0	0	110.5	V679	V679-Q681 PolarHBondContact O-N 3.03Å
682	D	35.8	Very low	34.8	Very low	136.333 Å²	136.333	139.4 Å²	139.4	73%	0.729	73%	0.73	S	S	*	*			trans	171.7	104.2	148.5	-116.7	-8.4	0	0	0	110.6
683	S	33.8	Very low	34.4	Very low	99.3333 Å²	99.3333	135.3 Å²	135.3	70%	0.695	72%	0.72	S	S	*	*			trans	19.7	108.7	155.6	67.7	0	0	0	0	115.7
684	L	36.2	Very low	33.9	Very low	137.667 Å²	137.667	138.6 Å²	138.6	72%	0.721	72%	0.724	S	S	*	*			trans	-173.3	112.9	144.1	-69.1	171.6	0	0	0	112.3	R686	L684-R686 HydrophobicContact CB-CB 3.75Å; L684-R686 HydrophobicContact CD1-CB 4.28Å; L684-R686 VanDerWaalsContact CD1-NE 3.33Å; L684-R686 HydrophobicContact CD2-CB 4.16Å; L684-R686 HydrophobicContact CG-CB 4.27Å; L684-R686 PolarHBondContact O-N 3.06Å
685	D	33.5	Very low	33.7	Very low	154 Å²	154	137 Å²	137	82%	0.824	72%	0.72	S	S	*	*			trans	-114.9	101.1	130	-128.6	-28.4	0	0	0	111.1
686	R	35.4	Very low	33.4	Very low	196.333 Å²	196.333	136.7 Å²	136.7	74%	0.741	72%	0.72	S	S	*	*			trans	-125.5	125.2	168.1	-115.7	172.3	-145	-131.8	-0.8	111.9	L684	L684-R686 HydrophobicContact CB-CB 3.75Å; L684-R686 HydrophobicContact CD1-CB 4.28Å; L684-R686 VanDerWaalsContact CD1-NE 3.33Å; L684-R686 HydrophobicContact CD2-CB 4.16Å; L684-R686 HydrophobicContact CG-CB 4.27Å; L684-R686 PolarHBondContact O-N 3.06Å
687	C	28.5	Very low	33.5	Very low	87.6667 Å²	87.6667	135.8 Å²	135.8	59%	0.592	72%	0.72	S	S	*	*				70.7	134.9	115.2	-72.9	0	0	0	0	111.9
688	Y	31.9	Very low	33.1	Very low	207 Å²	207	135.8 Å²	135.8	81%	0.812	72%	0.72	S	S	*	*			cis	178.3	139.8	42.5	-67.4	-76.3	0	0	0	112
689	S	30	Very low	32.9	Very low	102 Å²	102	134.1 Å²	134.1	71%	0.713	72%	0.717	S	S	*	*				74.1	99.3	120.7	-43.4	0	0	0	0	115.8
690	I	32.6	Very low	32.7	Very low	128.333 Å²	128.333	135.1 Å²	135.1	66%	0.658	72%	0.717	S	S	*	*				82.4	123.2	108.4	-59	167.5	0	0	0	112.8	S692 G886 A888	I690-S692 PolarHBondContact O-N 2.89Å; I690-G886 WeakPolarHBondContact CD1-O 3.32Å; I690-A888 HydrophobicContact CB-CB 4.22Å; I690-A888 HydrophobicContact CD1-CB 4.1Å; I690-A888 HydrophobicContact CG1-CB 3.89Å; I690-A888 HydrophobicContact CG2-CB 3.42Å; I690-A888 VanDerWaalsContact CG2-CB 3.42Å
691	P	29.2	Very low	32.8	Very low	108 Å²	108	130.5 Å²	130.5	70%	0.701	71%	0.71	S	S	*	*			trans	-92.1	131.6	167.8	35.7	-29.8	0	0	0	110.8	G693 D890	P691-G693 PolarHBondContact O-N 2.74Å; P691-D890 WeakPolarHBondContact CB-OD2 2.97Å; P691-D890 WeakPolarHBondContact CG-OD2 3.37Å
692	S	29.7	Very low	32.5	Very low	98.6667 Å²	98.6667	131.2 Å²	131.2	69%	0.69	71%	0.713	S	S	*	*			trans	-79	118	164	56.9	0	0	0	0	112.8	I690	I690-S692 PolarHBondContact O-N 2.89Å
693	G	27.7	Very low	32.5	Very low	51.3333 Å²	51.3333	129 Å²	129	53%	0.529	71%	0.706	S	S	.	*			trans	-84.5	155.6	158.8	0	0	0	0	0	112	P691 L695	P691-G693 PolarHBondContact O-N 2.74Å; G693-L695 WeakPolarHBondContact O-CB 3.28Å; G693-L695 PolarHBondContact O-N 3.24Å
694	Y	30.7	Very low	32.3	Very low	205.667 Å²	205.667	135.1 Å²	135.1	81%	0.807	72%	0.716	S	S	*	*			trans	-39.1	128.1	155.7	-69.6	-95.5	0	0	0	110.3	D477	D477-Y694 VanDerWaalsContact OD2-CE1 3.28Å; D477-Y694 WeakPolarHBondContact OD2-CE1 3.38Å
695	L	32.2	Very low	32	Very low	120.667 Å²	120.667	133.4 Å²	133.4	63%	0.632	72%	0.715	S	S	*	*			cis	-165.4	124.5	35.5	-168.5	94.4	0	0	0	109.1	D477 G693 L697	D477-L695 HydrophobicContact CB-CD1 4.11Å; D477-L695 HydrophobicContact CB-CD2 4.05Å; G693-L695 WeakPolarHBondContact O-CB 3.28Å; G693-L695 PolarHBondContact O-N 3.24Å; L695-L697 PolarHBondContact O-N 3.34Å
696	E	32.7	Very low	31.9	Very low	143 Å²	143	130.6 Å²	130.6	67%	0.668	71%	0.708	S	S	*	*			trans	-77.6	139.8	158.7	-89.9	176.6	134.1	0	0	113.4	A475 L476	A475-E696 WeakPolarHBondContact CA-OE1 3.25Å; L476-E696 PolarHBondContact N-OE1 3.09Å; L476-E696 VanDerWaalsContact N-OE1 3.12Å; L476-E696 PolarHBondContact N-OE2 3.39Å
697	L	36.6	Very low	31.7	Very low	136.667 Å²	136.667	124.6 Å²	124.6	72%	0.716	70%	0.7	S	S	*	*			trans	-130.9	153	152.2	-74.4	173.8	0	0	0	112.6	L695	L695-L697 PolarHBondContact O-N 3.34Å
698	P	33.5	Very low	31.8	Very low	97.6667 Å²	97.6667	124.1 Å²	124.1	63%	0.634	69%	0.694	S	S	*	*			trans	-94.8	157.6	-174.2	22.5	-13.4	0	0	0	113.5	L700	P698-L700 PolarHBondContact O-N 2.79Å
699	D	31.5	Very low	31.9	Very low	148.667 Å²	148.667	123.2 Å²	123.2	80%	0.795	69%	0.691	S	S	*	*			trans	-111.3	139.8	160.4	-107.1	-5.9	0	0	0	112.5	Y471	Y471-D699 VanDerWaalsContact OH-CA 3.26Å; Y471-D699 WeakPolarHBondContact OH-CA 3.35Å; Y471-D699 VanDerWaalsContact OH-CB 3.26Å; Y471-D699 WeakPolarHBondContact OH-CB 3.22Å; Y471-D699 PolarHBondContact OH-OD1 2.75Å; Y471-D699 PolarHBondContact OH-OD2 3.16Å
700	L	34.3	Very low	32.2	Very low	145.333 Å²	145.333	122.2 Å²	122.2	76%	0.761	68%	0.684	S	S	*	*			trans	47.3	94.2	158.9	-98.4	166.8	0	0	0	119.3	Y471 P698 Q702	Y471-L700 HydrophobicContact CE1-CG 4.19Å; Y471-L700 HydrophobicContact CE2-CD1 3.73Å; Y471-L700 HydrophobicContact CE2-CG 3.91Å; Y471-L700 WeakPolarHBondContact OH-CA 3.4Å; Y471-L700 WeakPolarHBondContact OH-CB 3.27Å; Y471-L700 VanDerWaalsContact OH-CG 3.28Å; Y471-L700 WeakPolarHBondContact OH-CG 3.27Å; Y471-L700 PolarHBondContact OH-N 2.92Å; P698-L700 PolarHBondContact O-N 2.79Å; L700-Q702 PolarHBondContact O-N 3.35Å
701	G	34.7	Very low	32.3	Very low	68.3333 Å²	68.3333	122.2 Å²	122.2	70%	0.704	69%	0.685	S	S	*	*			trans	-146.9	143.5	143	0	0	0	0	0	116.9
702	Q	32.2	Very low	32.6	Very low	181.667 Å²	181.667	124 Å²	124	85%	0.849	68%	0.683	S	S	*	*				171	153.3	128.4	-80.4	-87.5	-38.7	0	0	112	L700	L700-Q702 PolarHBondContact O-N 3.35Å
703	P	36.8	Very low	32.9	Very low	90.6667 Å²	90.6667	125.9 Å²	125.9	59%	0.589	68%	0.681	S	S	*	*				-128.3	175.4	-124.2	32.9	-14.8	0	0	0	115.1
704	Y	28.4	Very low	33.3	Very low	227.333 Å²	227.333	129.9 Å²	129.9	89%	0.892	69%	0.686	S	S	*	*			trans	76.8	140.2	161.7	-79.4	-84.4	0	0	0	114.6
705	S	29	Very low	33.4	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	68%	0.683	S	S	*	*				-141.5	159.8	108.8	146.7	0	0	0	0	111.6
706	S	31.5	Very low	33.5	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	69%	0.685	S	S	*	*				-139	119.4	127.6	76.2	0	0	0	0	111.8
707	A	32.2	Very low	33.7	Very low	70.6667 Å²	70.6667	125.7 Å²	125.7	58%	0.584	69%	0.685	S	S	*	*				-108.4	156.4	51.7	0	0	0	0	0	113.3	Y709 D965	A707-Y709 HydrophobicContact CB-CD2 3.94Å; A707-Y709 HydrophobicContact CB-CE2 4.5Å; A707-D965 WeakPolarHBondContact CB-O 3.26Å
708	V	30.4	Very low	33.7	Very low	78 Å²	78	126.3 Å²	126.3	47%	0.473	69%	0.688	S	S	.	*			trans	-66.8	127.1	179.7	-146.5	0	0	0	0	114.7	L962 A963 L964 V966	V708-L962 HydrophobicContact CG1-CB 3.78Å; V708-L962 HydrophobicContact CG1-CD2 3.38Å; V708-L962 HydrophobicContact CG1-CG 4.17Å; V708-A963 HydrophobicContact CG2-CB 3.91Å; V708-A963 WeakPolarHBondContact CG2-O 3.26Å; V708-L964 HydrophobicContact CB-CD2 4.4Å; V708-L964 VanDerWaalsContact CG2-CA 3.46Å; V708-L964 HydrophobicContact CG2-CB 4.26Å; V708-L964 HydrophobicContact CG2-CD2 3.94Å; V708-L964 HydrophobicContact CG2-CG 4.03Å; V708-V966 VanDerWaalsContact O-CA 3.25Å; V708-V966 WeakPolarHBondContact O-CA 3.22Å; V708-V966 PolarHBondContact O-N 2.57Å
709	Y	35	Very low	33.9	Very low	187.333 Å²	187.333	126 Å²	126	74%	0.735	69%	0.694	S	S	*	*				-134.2	137.3	111	-93.4	-64.1	0	0	0	110.5	A707 L962 L964	A707-Y709 HydrophobicContact CB-CD2 3.94Å; A707-Y709 HydrophobicContact CB-CE2 4.5Å; Y709-L962 HydrophobicContact CD1-CB 3.76Å; Y709-L962 HydrophobicContact CD1-CD1 4.14Å; Y709-L962 HydrophobicContact CD1-CG 4.45Å; Y709-L962 HydrophobicContact CE1-CB 3.56Å; Y709-L962 HydrophobicContact CE1-CD1 4.27Å; Y709-L964 HydrophobicContact CD2-CD1 3.73Å; Y709-L964 HydrophobicContact CD2-CD2 3.53Å; Y709-L964 HydrophobicContact CD2-CG 3.62Å; Y709-L964 HydrophobicContact CE2-CD1 3.53Å; Y709-L964 HydrophobicContact CE2-CD2 4.1Å; Y709-L964 HydrophobicContact CE2-CG 3.63Å; Y709-L964 HydrophobicContact CG-CD2 4.11Å; Y709-L964 HydrophobicContact CG-CG 4.45Å
710	S	36.2	Very low	34.1	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	69%	0.688	S	S	*	*			trans	-158.9	144.4	137	-73.3	0	0	0	0	114.5
711	L	33.8	Very low	34.4	Very low	129.333 Å²	129.333	125.4 Å²	125.4	68%	0.677	69%	0.69	S	S	*	*				72.9	144.5	128.5	-124.1	85.6	0	0	0	115.5	E713	L711-E713 HydrophobicContact CB-CB 4.21Å; L711-E713 HydrophobicContact CB-CG 4.48Å; L711-E713 WeakPolarHBondContact CD1-OE1 3.2Å; L711-E713 HydrophobicContact CD2-CB 4.47Å; L711-E713 HydrophobicContact CG-CB 3.94Å; L711-E713 HydrophobicContact CG-CG 4.01Å; L711-E713 WeakPolarHBondContact CG-OE1 3.13Å
712	E	36.5	Very low	34.6	Very low	144.333 Å²	144.333	127.7 Å²	127.7	67%	0.674	69%	0.69	S	S	*	*			trans	-79	128	136.3	-77.6	137.4	161.7	0	0	116	E1146	E712-E1146 WeakPolarHBondContact CB-OE1 3.34Å
713	E	34.7	Very low	34.9	Very low	138.333 Å²	138.333	124.2 Å²	124.2	65%	0.646	68%	0.678	S	S	*	*				50.3	119.1	110.1	-77.8	-165.8	-173.5	0	0	113.9	L711 Y715	L711-E713 HydrophobicContact CB-CB 4.21Å; L711-E713 HydrophobicContact CB-CG 4.48Å; L711-E713 WeakPolarHBondContact CD1-OE1 3.2Å; L711-E713 HydrophobicContact CD2-CB 4.47Å; L711-E713 HydrophobicContact CG-CB 3.94Å; L711-E713 HydrophobicContact CG-CG 4.01Å; L711-E713 WeakPolarHBondContact CG-OE1 3.13Å; E713-Y715 VanDerWaalsContact CD-CE1 3.47Å; E713-Y715 HydrophobicContact CG-CE1 3.71Å; E713-Y715 HydrophobicContact CG-CE2 4.45Å; E713-Y715 WeakPolarHBondContact CG-OH 3.48Å; E713-Y715 WeakPolarHBondContact OE1-CE1 3.31Å; E713-Y715 PolarHBondContact OE1-OH 2.99Å
714	Q	36.5	Very low	35	Very low	136.333 Å²	136.333	129.2 Å²	129.2	64%	0.637	69%	0.685	S	S	*	*				-123.6	150.3	64.1	-76.8	-169.5	-20	0	0	113.7	L716 E1146 D1147	Q714-L716 HydrophobicContact CB-CD1 4.16Å; Q714-E1146 HydrophobicContact CB-CB 3.97Å; Q714-E1146 HydrophobicContact CB-CG 3.83Å; Q714-E1146 WeakPolarHBondContact CB-OE1 3.47Å; Q714-E1146 HydrophobicContact CG-CB 4.19Å; Q714-E1146 VanDerWaalsContact CG-CD 3.47Å; Q714-E1146 HydrophobicContact CG-CG 4.09Å; Q714-E1146 VanDerWaalsContact CG-OE1 3.23Å; Q714-E1146 WeakPolarHBondContact CG-OE1 3.49Å; Q714-E1146 PolarHBondContact N-OE1 3.08Å; Q714-E1146 VanDerWaalsContact NE2-CD 3.29Å; Q714-E1146 PolarHBondContact NE2-OE2 2.89Å; Q714-D1147 PolarHBondContact OE1-O 3.02Å
715	Y	33.3	Very low	35.5	Very low	188.667 Å²	188.667	125.3 Å²	125.3	74%	0.74	68%	0.678	S	S	*	*			trans	-167	124.5	148.2	-87.1	-147.4	0	0	0	112.7	E713	E713-Y715 VanDerWaalsContact CD-CE1 3.47Å; E713-Y715 HydrophobicContact CG-CE1 3.71Å; E713-Y715 HydrophobicContact CG-CE2 4.45Å; E713-Y715 WeakPolarHBondContact CG-OH 3.48Å; E713-Y715 WeakPolarHBondContact OE1-CE1 3.31Å; E713-Y715 PolarHBondContact OE1-OH 2.99Å
716	L	34.1	Very low	35.7	Very low	129.333 Å²	129.333	129.6 Å²	129.6	68%	0.677	68%	0.684	S	S	*	*			trans	73.3	126.2	141.3	-121.6	65.2	0	0	0	114.4	Q714 L718 D1147	Q714-L716 HydrophobicContact CB-CD1 4.16Å; L716-L718 HydrophobicContact CG-CD1 4.37Å; L716-D1147 HydrophobicContact CD2-CB 4.03Å
717	G	37.2	Very low	36.1	Very low	63.3333 Å²	63.3333	132.9 Å²	132.9	65%	0.653	69%	0.686	S	S	*	*			trans	-140.7	139.4	160.8	0	0	0	0	0	112.2	A719 D1149	G717-A719 PolarHBondContact O-N 3.37Å; G717-D1149 WeakPolarHBondContact CA-OD2 3.45Å; G717-D1149 VanDerWaalsContact O-CB 3.3Å; G717-D1149 WeakPolarHBondContact O-CB 3.44Å
718	L	36.9	Very low	36.2	Very low	148.333 Å²	148.333	135.9 Å²	135.9	78%	0.777	69%	0.693	S	S	*	*			trans	-138.4	127	133.7	-104.6	172.4	0	0	0	110.5	L716 L720 D1149	L716-L718 HydrophobicContact CG-CD1 4.37Å; L718-L720 PolarHBondContact O-N 2.97Å; L718-D1149 WeakPolarHBondContact CA-OD2 3.48Å; L718-D1149 PolarHBondContact N-OD2 3.49Å
719	A	37.4	Very low	36.4	Very low	92.3333 Å²	92.3333	139.4 Å²	139.4	76%	0.763	70%	0.704	S	S	*	*			trans	-118.5	98.5	169.3	0	0	0	0	0	112.9	G717 D721	G717-A719 PolarHBondContact O-N 3.37Å; A719-D721 PolarHBondContact O-N 2.86Å
720	L	35.8	Very low	36.4	Very low	130.333 Å²	130.333	138 Å²	138	68%	0.682	70%	0.704	S	S	*	*			trans	-108.1	126	132.7	-66.7	178.5	0	0	0	111.2	L718 V722 L955	L718-L720 PolarHBondContact O-N 2.97Å; L720-V722 HydrophobicContact CB-CG2 4.4Å; L720-L955 HydrophobicContact CD2-CD1 3.99Å; L720-L955 HydrophobicContact CD2-CD2 3.86Å; L720-L955 HydrophobicContact CD2-CG 4.47Å
721	D	39	Very low	36.4	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	72%	0.715	S	S	*	*			trans	-100.7	141	138.5	-96.8	-54.5	0	0	0	109.9	A719 D723 Y953	A719-D721 PolarHBondContact O-N 2.86Å; D721-D723 PolarHBondContact O-N 3.29Å; D721-Y953 VanDerWaalsContact C-CZ 3.4Å; D721-Y953 PolarHBondContact O-OH 2.72Å
722	V	39.6	Very low	36.5	Very low	116.333 Å²	116.333	143.8 Å²	143.8	71%	0.705	72%	0.719	S	S	*	*			trans	-115	120.3	-174.6	148	0	0	0	0	108.6	L720 R724 Y953	L720-V722 HydrophobicContact CB-CG2 4.4Å; V722-R724 VanDerWaalsContact C-N 3.26Å; V722-R724 WeakPolarHBondContact O-CB 3.24Å; V722-R724 PolarHBondContact O-N 3.39Å; V722-Y953 VanDerWaalsContact CA-CD2 3.42Å; V722-Y953 VanDerWaalsContact N-CE2 3.32Å; V722-Y953 VanDerWaalsContact O-CD2 3.3Å; V722-Y953 WeakPolarHBondContact O-CD2 3.45Å
723	D	38.4	Very low	36.5	Very low	108.333 Å²	108.333	145 Å²	145	58%	0.579	72%	0.724	S	S	*	*			trans	-95.9	106.2	172.8	-139	-2.1	0	0	0	113.1	D721 L962	D721-D723 PolarHBondContact O-N 3.29Å; D723-L962 VanDerWaalsContact OD2-CD1 3.24Å; D723-L962 WeakPolarHBondContact OD2-CD1 3.43Å
724	R	38.9	Very low	36.5	Very low	197 Å²	197	144.7 Å²	144.7	74%	0.743	73%	0.727	S	S	*	*				85.9	90.9	128.1	-114.2	166.9	-159.5	-162.7	0.9	115.1	D455 V722 K726	D455-R724 IonicContact OD1-CZ 3.3Å; D455-R724 IonicContact OD1-NH1 3.2Å; D455-R724 IonicContact OD1-NH2 2.93Å; D455-R724 PolarHBondContact OD1-NH2 3.38Å; D455-R724 IonicContact OD2-CZ 3.81Å; D455-R724 VanDerWaalsContact OD2-CZ 3.22Å; D455-R724 IonicContact OD2-NH1 2.74Å; D455-R724 PolarHBondContact OD2-NH1 3.18Å; D455-R724 IonicContact OD2-NH2 3.05Å; D455-R724 PolarHBondContact OD2-NH2 3.41Å; V722-R724 VanDerWaalsContact C-N 3.26Å; V722-R724 WeakPolarHBondContact O-CB 3.24Å; V722-R724 PolarHBondContact O-N 3.39Å; R724-K726 PolarHBondContact O-N 3.09Å
725	I	38.1	Very low	36.5	Very low	146 Å²	146	144.6 Å²	144.6	75%	0.749	73%	0.726	S	S	*	*			trans	-45.1	113.4	133.6	-56.4	170.7	0	0	0	109.2	K727	I725-K727 VanDerWaalsContact C-N 3.3Å; I725-K727 HydrophobicContact CG2-CB 3.73Å; I725-K727 HydrophobicContact CG2-CD 4.38Å; I725-K727 HydrophobicContact CG2-CG 3.96Å; I725-K727 PolarHBondContact O-N 3.44Å
726	K	34.3	Very low	36.5	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	72%	0.72	S	S	*	*			trans	-140.9	103.8	147.8	-100.1	174.7	-176.4	178.4	0	110.7	R724	R724-K726 PolarHBondContact O-N 3.09Å
727	K	39.1	Very low	36.8	Very low	164 Å²	164	139.8 Å²	139.8	71%	0.713	72%	0.72	S	S	*	*			trans	-162.6	99.4	153.4	-114.9	-171.3	163.6	-133.3	0	113.2	I725 Q729	I725-K727 VanDerWaalsContact C-N 3.3Å; I725-K727 HydrophobicContact CG2-CB 3.73Å; I725-K727 HydrophobicContact CG2-CD 4.38Å; I725-K727 HydrophobicContact CG2-CG 3.96Å; I725-K727 PolarHBondContact O-N 3.44Å; K727-Q729 VanDerWaalsContact CE-OE1 3.23Å; K727-Q729 PolarHBondContact O-N 3.13Å
728	D	34.7	Very low	36.7	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	72%	0.722	S	S	*	*			trans	-36.4	110.8	151	-45.7	-51.6	0	0	0	110.3
729	Q	34.9	Very low	36.4	Very low	151.333 Å²	151.333	140.8 Å²	140.8	71%	0.707	73%	0.725	S	S	*	*				63.5	111.8	121.1	-71.9	-170.6	-48.1	0	0	112	K727	K727-Q729 VanDerWaalsContact CE-OE1 3.23Å; K727-Q729 PolarHBondContact O-N 3.13Å
730	E	35	Very low	36.2	Very low	157.333 Å²	157.333	141.5 Å²	141.5	74%	0.735	72%	0.722	S	S	*	*				173.3	129.9	81.8	-89	158.4	176.2	0	0	109.4
731	E	35.4	Very low	36.1	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	73%	0.728	S	S	*	*				95.9	160.9	90.8	-87.5	174.1	171	0	0	114.4
732	E	36.5	Very low	35.8	Very low	162.333 Å²	162.333	144.9 Å²	144.9	76%	0.759	72%	0.724	S	S	*	*			cis	-121.4	155.2	20.4	-119.1	176.5	164.6	0	0	112.9
733	E	37.5	Very low	35.5	Very low	170.333 Å²	170.333	142.6 Å²	142.6	80%	0.796	71%	0.714	S	S	*	*			trans	54.6	128	141.9	-84.9	-177.9	158.3	0	0	117.1
734	D	34	Very low	35.7	Very low	130.667 Å²	130.667	146.5 Å²	146.5	70%	0.699	72%	0.72	S	S	*	*			cis	-167.3	109.4	26.3	-159.4	19	0	0	0	114.5
735	Q	35.8	Very low	35.6	Very low	133.667 Å²	133.667	144.2 Å²	144.2	63%	0.625	72%	0.718	S	S	*	*			trans	-170.7	133.8	157.1	-51.1	-62.3	-39.9	0	0	111	V900	Q735-V900 WeakPolarHBondContact CA-O 3.49Å
736	D	34.5	Very low	35.2	Very low	112.667 Å²	112.667	144 Å²	144	60%	0.602	72%	0.717	S	S	*	*			cis	-133.5	-178	45.8	-140.7	2.1	0	0	0	109.9	P738 V900	D736-P738 WeakPolarHBondContact OD1-CD 3.34Å; D736-P738 VanDerWaalsContact OD1-CG 3.29Å; D736-P738 WeakPolarHBondContact OD1-CG 3.13Å; D736-V900 WeakPolarHBondContact CB-O 3.29Å; D736-V900 PolarHBondContact N-O 2.74Å; D736-V900 VanDerWaalsContact N-O 3.11Å
737	P	39.7	Very low	35.3	Very low	106.333 Å²	106.333	140.3 Å²	140.3	69%	0.69	71%	0.711	S	S	*	*				-121	-175.4	-65.8	37.5	-20.2	0	0	0	116.5
738	P	34.9	Very low	35.1	Very low	106.333 Å²	106.333	140.6 Å²	140.6	69%	0.69	71%	0.714	S	S	*	*			trans	-114.8	161.7	-151.6	36.8	-23.4	0	0	0	114.9	D736 P740	D736-P738 WeakPolarHBondContact OD1-CD 3.34Å; D736-P738 VanDerWaalsContact OD1-CG 3.29Å; D736-P738 WeakPolarHBondContact OD1-CG 3.13Å; P738-P740 WeakPolarHBondContact O-CD 3.34Å
739	C	31.7	Very low	35.3	Very low	125.333 Å²	125.333	140.2 Å²	140.2	85%	0.847	72%	0.717	S	S	*	*			trans	-162.1	114.6	158	-86.6	0	0	0	0	115.9
740	P	33.3	Very low	35.5	Very low	107.667 Å²	107.667	138.4 Å²	138.4	70%	0.699	72%	0.716	S	S	*	*			trans	-88.6	173.6	167	23.6	-12.2	0	0	0	113.2	P738	P738-P740 WeakPolarHBondContact O-CD 3.34Å
741	R	34	Very low	35.6	Very low	214 Å²	214	139.3 Å²	139.3	81%	0.808	72%	0.72	S	S	*	*			trans	71.1	156.3	168.8	-75.8	-172.9	169.5	140	1.7	116.3
742	L	32.5	Very low	35.8	Very low	136.667 Å²	136.667	135.8 Å²	135.8	72%	0.716	71%	0.712	S	S	*	*			cis	158.7	133.9	-27.4	-91.2	-176.2	0	0	0	108.8
743	S	32.9	Very low	35.8	Very low	68.6667 Å²	68.6667	136.3 Å²	136.3	48%	0.48	72%	0.715	S	S	.	*				155.9	146.4	77	54.7	0	0	0	0	113.3	I894 E895 K896	S743-I894 VanDerWaalsContact CB-CA 3.43Å; S743-I894 WeakPolarHBondContact OG-CA 2.83Å; S743-I894 PolarHBondContact OG-N 2.88Å; S743-E895 WeakPolarHBondContact OG-CA 3.49Å; S743-E895 PolarHBondContact OG-N 2.74Å; S743-E895 VanDerWaalsContact OG-N 3.1Å; S743-K896 PolarHBondContact OG-N 2.74Å; S743-K896 VanDerWaalsContact OG-N 3.08Å
744	R	42.9	Very low	36.2	Very low	189.333 Å²	189.333	133.9 Å²	133.9	71%	0.714	71%	0.711	S	S	*	*			trans	40.8	141.8	164.8	-93.5	172.5	161.8	141.8	4.4	113.6	M891 D892 Y897	R744-M891 HydrophobicContact CB-SD 4.18Å; R744-M891 HydrophobicContact CG-CE 3.82Å; R744-M891 HydrophobicContact CG-SD 3.6Å; R744-M891 VanDerWaalsContact CG-SD 3.6Å; R744-M891 PolarHBondContact N-SD 3.4Å; R744-D892 VanDerWaalsContact CZ-CG 3.43Å; R744-D892 IonicContact CZ-OD1 3.98Å; R744-D892 IonicContact CZ-OD2 3.78Å; R744-D892 VanDerWaalsContact CZ-OD2 3.3Å; R744-D892 IonicContact NE-OD1 2.72Å; R744-D892 PolarHBondContact NE-OD1 2.99Å; R744-D892 IonicContact NH1-OD1 3.13Å; R744-D892 PolarHBondContact NH1-OD1 2.77Å; R744-D892 IonicContact NH1-OD2 3.95Å; R744-D892 PolarHBondContact NH1-OD2 3.48Å; R744-D892 IonicContact NH2-OD1 3.42Å; R744-D892 PolarHBondContact NH2-OD1 2.94Å; R744-D892 IonicContact NH2-OD2 2.86Å; R744-D892 PolarHBondContact NH2-OD2 3.16Å; R744-Y897 WeakPolarHBondContact O-CE1 3.37Å; R744-Y897 PolarHBondContact O-OH 3.2Å
745	E	36.8	Very low	36.4	Very low	148.667 Å²	148.667	134.7 Å²	134.7	70%	0.695	72%	0.715	S	S	*	*			cis	-125.6	142.5	-10	-129.3	173.7	128.3	0	0	108.8	Y897	E745-Y897 PolarHBondContact OE2-OH 2.77Å
746	L	29.9	Very low	36.7	Very low	142.333 Å²	142.333	136.5 Å²	136.5	75%	0.745	72%	0.723	S	S	*	*				102.6	148.1	90.6	-152.6	136.6	0	0	0	112.5
747	V	36.4	Very low	37	Very low	113.333 Å²	113.333	137.6 Å²	137.6	69%	0.687	73%	0.729	S	S	*	*			trans	79.9	115.5	144.5	173.8	0	0	0	0	113.3
748	E	34.6	Very low	36.7	Very low	169.667 Å²	169.667	137 Å²	137	79%	0.793	73%	0.727	S	S	*	*			cis	-129.7	162	21.4	-99	164.4	154.1	0	0	108
749	V	38.8	Very low	36.9	Very low	126.667 Å²	126.667	138.7 Å²	138.7	77%	0.768	73%	0.73	S	S	*	*				114.3	112	128.9	162.4	0	0	0	0	113.5
750	V	37.7	Very low	37.2	Very low	115.333 Å²	115.333	137.7 Å²	137.7	70%	0.699	72%	0.716	S	S	*	*				75.9	119	120.7	158	0	0	0	0	114.7
751	E	37.7	Very low	37.3	Very low	174.667 Å²	174.667	140.6 Å²	140.6	82%	0.816	71%	0.713	S	S	*	*				58.2	148.9	99.7	-103.7	-169.3	-171.8	0	0	112.1
752	P	40.3	Very low	37	Very low	97.6667 Å²	97.6667	133.5 Å²	133.5	63%	0.634	70%	0.696	S	S	*	*			cis	-125.6	-172.8	-7.5	24.8	-5.6	0	0	0	111.4
753	E	36.5	Very low	37.2	Very low	171.667 Å²	171.667	135 Å²	135	80%	0.802	69%	0.693	S	S	*	*			trans	77.5	142.9	137.3	-75.2	-169.6	-160.7	0	0	115.2
754	V	44.7	Very low	36.9	Very low	120 Å²	120	135.3 Å²	135.3	73%	0.727	70%	0.695	S	S	*	*			trans	-133.4	123.9	142.9	-154.6	0	0	0	0	111.8
755	L	38.3	Very low	36.1	Very low	147.333 Å²	147.333	131.6 Å²	131.6	77%	0.771	69%	0.694	S	S	*	*			trans	8.8	148.8	131.2	-66.4	169.9	0	0	0	115.7
756	Q	42.8	Very low	35.9	Very low	172 Å²	172	128.3 Å²	128.3	80%	0.804	69%	0.685	S	S	*	*			trans	-170.5	111.9	147.4	-116.8	164.8	19.9	0	0	114.4
757	D	40.9	Very low	35.8	Very low	136.667 Å²	136.667	124.7 Å²	124.7	73%	0.731	67%	0.672	S	S	*	*			trans	36.7	116.5	142	-68.5	-28.5	0	0	0	115.3	L759	D757-L759 PolarHBondContact O-N 2.92Å
758	S	33.6	Very low	35.5	Very low	93 Å²	93	123.1 Å²	123.1	65%	0.65	67%	0.666	S	S	*	*				50.5	131.7	73	80.3	0	0	0	0	113.1
759	L	37.5	Very low	35.5	Very low	141.667 Å²	141.667	119.6 Å²	119.6	74%	0.742	66%	0.659	S	S	*	*			trans	81.4	98.7	176.9	-50.8	-179.3	0	0	0	113.3	D757 V1440	D757-L759 PolarHBondContact O-N 2.92Å; L759-V1440 HydrophobicContact CB-CG1 4.1Å; L759-V1440 HydrophobicContact CB-CG2 4.17Å; L759-V1440 HydrophobicContact CD1-CG2 4.34Å; L759-V1440 HydrophobicContact CD2-CB 4.49Å; L759-V1440 HydrophobicContact CD2-CG1 3.72Å; L759-V1440 HydrophobicContact CD2-CG2 3.99Å; L759-V1440 HydrophobicContact CG-CG1 4.46Å; L759-V1440 HydrophobicContact CG-CG2 4.36Å
760	D	38.9	Very low	35.3	Very low	105.333 Å²	105.333	120.8 Å²	120.8	56%	0.563	66%	0.661	S	S	*	*				66.6	150.2	70.2	-104	-11.1	0	0	0	117.5	S1438 A1439 V1440 Y1441	D760-S1438 WeakPolarHBondContact OD1-CB 3.25Å; D760-A1439 CarbonylContact C-O 3.58Å; D760-A1439 WeakPolarHBondContact CA-O 3.39Å; D760-A1439 WeakPolarHBondContact CB-O 3.17Å; D760-A1439 PolarHBondContact OD1-N 3.49Å; D760-A1439 VanDerWaalsContact OD1-O 3.08Å; D760-A1439 PolarHBondContact OD2-N 3.38Å; D760-V1440 VanDerWaalsContact O-CG1 3.28Å; D760-V1440 WeakPolarHBondContact O-CG1 3.21Å; D760-Y1441 VanDerWaalsContact O-CD1 3.26Å; D760-Y1441 WeakPolarHBondContact O-CD1 3.23Å
761	R	36.3	Very low	35.3	Very low	167.333 Å²	167.333	123.3 Å²	123.3	63%	0.631	66%	0.664	S	S	*	*			trans	172	139.1	161.6	-141.6	159.2	-125.6	-164	8.9	116.3	Y763 A1439 V1440 Y1441	R761-Y763 PolarHBondContact O-N 3.35Å; R761-Y763 VanDerWaalsContact O-N 3.08Å; R761-A1439 WeakPolarHBondContact CB-O 3.24Å; R761-A1439 PolarHBondContact N-O 3.19Å; R761-V1440 PolarHBondContact NE-O 2.77Å; R761-V1440 PolarHBondContact NH1-O 3.31Å; R761-Y1441 VanDerWaalsContact CZ-O 3.3Å; R761-Y1441 PolarHBondContact NE-O 2.79Å; R761-Y1441 PolarHBondContact NH2-O 2.76Å
762	C	26.6	Very low	35.2	Very low	66 Å²	66	123 Å²	123	45%	0.446	66%	0.663	S	S	.	*			trans	-35.7	129.8	138.2	-53.3	0	0	0	0	114.4	S1442	C762-S1442 WeakPolarHBondContact SG-CB 3.4Å; C762-S1442 PolarHBondContact SG-OG 2.74Å; C762-S1442 VanDerWaalsContact SG-OG 3.32Å
763	Y	36.2	Very low	35.3	Very low	168 Å²	168	122.4 Å²	122.4	66%	0.659	66%	0.659	S	S	*	*				-140.1	162.7	94.4	-72.5	-52	0	0	0	109.4	R761 T765 E1315 A1439	R761-Y763 PolarHBondContact O-N 3.35Å; R761-Y763 VanDerWaalsContact O-N 3.08Å; Y763-T765 VanDerWaalsContact CB-N 3.27Å; Y763-T765 VanDerWaalsContact CD1-N 3.31Å; Y763-E1315 VanDerWaalsContact C-CG 3.46Å; Y763-E1315 WeakPolarHBondContact CB-OE1 3.44Å; Y763-E1315 WeakPolarHBondContact O-CG 2.94Å; Y763-A1439 HydrophobicContact CE2-CB 3.97Å
764	S	26.9	Very low	35.2	Very low	74 Å²	74	120 Å²	120	52%	0.517	65%	0.652	S	S	.	*				-116.9	127.5	-62.6	-66.9	0	0	0	0	114.4	E1315	S764-E1315 WeakPolarHBondContact CA-OE1 3.22Å; S764-E1315 WeakPolarHBondContact CA-OE2 3.01Å; S764-E1315 PolarHBondContact N-OE1 3.46Å; S764-E1315 PolarHBondContact N-OE2 3.11Å
765	T	27.4	Very low	34.6	Very low	111.333 Å²	111.333	117.9 Å²	117.9	68%	0.683	64%	0.642	S	S	*	*				174.7	155.6	129.6	-7.6	0	0	0	0	111.9	Y763 C769 E1314 E1315	Y763-T765 VanDerWaalsContact CB-N 3.27Å; Y763-T765 VanDerWaalsContact CD1-N 3.31Å; T765-C769 HydrophobicContact CG2-CB 4.2Å; T765-E1314 WeakPolarHBondContact CA-OE1 3.4Å; T765-E1314 WeakPolarHBondContact CG2-OE1 3.46Å; T765-E1315 WeakPolarHBondContact CA-OE1 3.43Å; T765-E1315 PolarHBondContact N-OE1 3.15Å
766	P	31	Very low	34.5	Very low	79.6667 Å²	79.6667	115.3 Å²	115.3	52%	0.517	64%	0.635	S	S	.	*				-144.7	145.9	101.6	40.7	-21.3	0	0	0	118.8	E1314 E1315	P766-E1314 WeakPolarHBondContact CA-OE1 3.43Å; P766-E1315 WeakPolarHBondContact CD-OE1 3.25Å
767	S	29.1	Very low	34	Very low	67.3333 Å²	67.3333	115.4 Å²	115.4	47%	0.471	64%	0.636	S	S	.	*			trans	111.6	112.9	141.6	25.8	0	0	0	0	120.1	G1313 E1314	S767-G1313 PolarHBondContact OG-O 2.95Å; S767-E1314 PolarHBondContact N-OE1 3.09Å
768	S	30	Very low	33.9	Very low	79 Å²	79	113.7 Å²	113.7	55%	0.552	63%	0.632	S	S	*	*				140.4	135.4	100.8	27.3	0	0	0	0	114.6	E1314	S768-E1314 PolarHBondContact N-OE2 3.31Å
769	C	34.2	Very low	33.7	Very low	96.6667 Å²	96.6667	120.1 Å²	120.1	65%	0.653	64%	0.644	S	S	*	*				172.5	140.3	126.5	125.7	0	0	0	0	111.2	T765	T765-C769 HydrophobicContact CG2-CB 4.2Å
770	L	35.7	Very low	33.4	Very low	153 Å²	153	116.3 Å²	116.3	80%	0.801	64%	0.639	S	S	*	*			trans	70.4	125.6	155	-65	174.9	0	0	0	112.4
771	E	37.4	Very low	33	Very low	166.333 Å²	166.333	116.6 Å²	116.6	78%	0.777	65%	0.649	S	S	*	*			cis	-150.2	163.3	22.2	-122.5	179.1	143.8	0	0	111
772	Q	35.3	Very low	32.8	Very low	168.333 Å²	168.333	113.6 Å²	113.6	79%	0.787	65%	0.654	S	S	*	*			trans	-114.4	170	133.6	-85.2	-171.4	-6.7	0	0	108.3
773	P	41.4	Very low	32.9	Very low	85 Å²	85	118.5 Å²	118.5	55%	0.552	67%	0.668	S	S	*	*				-120.8	166.7	50.5	38.9	-27.7	0	0	0	114.3
774	D	35.5	Very low	32.7	Very low	122.333 Å²	122.333	120.7 Å²	120.7	65%	0.654	68%	0.677	S	S	*	*				-161.9	155.7	51.1	-99.1	-43	0	0	0	114.5
775	S	32.5	Very low	33.2	Very low	75.3333 Å²	75.3333	121.6 Å²	121.6	53%	0.527	69%	0.688	S	S	.	*			trans	38	134.4	143.5	80.8	0	0	0	0	119.1
776	C	34.7	Very low	33.6	Very low	92 Å²	92	123.4 Å²	123.4	62%	0.622	69%	0.694	S	S	*	*				97.8	69.3	104.3	-68.2	0	0	0	0	120.1
777	Q	32.7	Very low	34.1	Very low	175 Å²	175	127 Å²	127	82%	0.818	70%	0.703	S	S	*	*			trans	87.3	134.8	149.7	-73.2	-100.7	-43.5	0	0	117.5
778	P	38.4	Very low	34.5	Very low	100 Å²	100	131.6 Å²	131.6	65%	0.649	72%	0.717	S	S	*	*			trans	-108.6	177.2	160.9	39.7	-26.5	0	0	0	113.7
779	Y	29.6	Very low	34.8	Very low	228 Å²	228	134.6 Å²	134.6	89%	0.894	72%	0.72	S	S	*	*			trans	-153	139	164.1	-119.2	-114.7	0	0	0	111.2
780	G	31.2	Very low	34.9	Very low	63.3333 Å²	63.3333	137 Å²	137	65%	0.653	72%	0.722	S	S	*	*			trans	142.9	50.2	150.2	0	0	0	0	0	115.3
781	S	29.9	Very low	34.8	Very low	110.333 Å²	110.333	135.6 Å²	135.6	77%	0.772	72%	0.719	S	S	*	*			trans	75.5	114.1	144	64.8	0	0	0	0	115
782	S	32.6	Very low	34.7	Very low	104.667 Å²	104.667	130.1 Å²	130.1	73%	0.732	71%	0.707	S	S	*	*				-160.4	130.7	116.3	34.3	0	0	0	0	115.5
783	F	29.2	Very low	34.4	Very low	169.667 Å²	169.667	131.5 Å²	131.5	74%	0.744	71%	0.711	S	S	*	*			trans	93.5	138.3	131.3	-77.1	-69.4	0	0	0	116
784	Y	32	Very low	34.1	Very low	212.667 Å²	212.667	132.2 Å²	132.2	83%	0.834	72%	0.718	S	S	*	*			trans	-161.5	164.1	142.9	-73.9	-72.4	0	0	0	114.4	L786	Y784-L786 PolarHBondContact O-N 3.17Å
785	A	37.4	Very low	34	Very low	92.6667 Å²	92.6667	134.1 Å²	134.1	77%	0.766	73%	0.727	S	S	*	*			trans	-135.3	115.6	164.3	0	0	0	0	0	111.2
786	L	35.8	Very low	34.3	Very low	150.667 Å²	150.667	137.5 Å²	137.5	79%	0.789	74%	0.739	S	S	*	*			trans	5.5	158.9	146.1	-61.5	173.1	0	0	0	119.4	Y784	Y784-L786 PolarHBondContact O-N 3.17Å
787	E	41.1	Very low	34.5	Very low	155.333 Å²	155.333	139.2 Å²	139.2	73%	0.726	75%	0.747	S	S	*	*			trans	96.9	135	149.2	-72.9	-152.7	139.5	0	0	114.8	K789	E787-K789 VanDerWaalsContact CD-NZ 3.3Å; E787-K789 WeakPolarHBondContact OE1-CD 3.09Å; E787-K789 WeakPolarHBondContact OE1-CE 3.22Å; E787-K789 IonicContact OE1-NZ 2.62Å; E787-K789 PolarHBondContact OE1-NZ 3.2Å; E787-K789 IonicContact OE2-NZ 2.83Å; E787-K789 PolarHBondContact OE2-NZ 2.92Å
788	E	38.5	Very low	34.8	Very low	162.333 Å²	162.333	133.9 Å²	133.9	76%	0.759	74%	0.739	S	S	*	*				-125.4	145.8	51.5	-140.3	-168.9	-176	0	0	110.8
789	K	34.7	Very low	34.9	Very low	142 Å²	142	137.5 Å²	137.5	62%	0.617	75%	0.748	S	S	*	*			trans	-149.2	152.5	155	-68.6	177.8	-176.2	119.7	0	114.4	E787	E787-K789 VanDerWaalsContact CD-NZ 3.3Å; E787-K789 WeakPolarHBondContact OE1-CD 3.09Å; E787-K789 WeakPolarHBondContact OE1-CE 3.22Å; E787-K789 IonicContact OE1-NZ 2.62Å; E787-K789 PolarHBondContact OE1-NZ 3.2Å; E787-K789 IonicContact OE2-NZ 2.83Å; E787-K789 PolarHBondContact OE2-NZ 2.92Å
790	H	36.7	Very low	35.3	Very low	149 Å²	149	133.2 Å²	133.2	69%	0.69	74%	0.739	S	S	*	*			trans	58	155.8	166.4	-55.2	-62.7	0	0	0	117.5
791	V	33.7	Very low	35.6	Very low	123.333 Å²	123.333	137.1 Å²	137.1	75%	0.747	74%	0.74	S	S	*	*				-169.7	149.9	100.5	155.7	0	0	0	0	110.6	F793	V791-F793 HydrophobicContact CG1-CD2 3.82Å; V791-F793 HydrophobicContact CG1-CE2 4.22Å
792	G	34.7	Very low	36	Very low	50.3333 Å²	50.3333	139.7 Å²	139.7	52%	0.519	74%	0.737	S	S	.	*			cis	143.3	101.3	36.3	0	0	0	0	0	116.4	S794	G792-S794 PolarHBondContact O-N 3.17Å; G792-S794 PolarHBondContact O-OG 3.38Å
793	F	31	Very low	36.4	Very low	196.667 Å²	196.667	143.3 Å²	143.3	86%	0.863	74%	0.74	S	S	*	*			trans	28.8	123.6	160.8	-57.3	-76.6	0	0	0	116	V791	V791-F793 HydrophobicContact CG1-CD2 3.82Å; V791-F793 HydrophobicContact CG1-CE2 4.22Å
794	S	34.1	Very low	36.7	Very low	101.333 Å²	101.333	137.8 Å²	137.8	71%	0.709	73%	0.731	S	S	*	*			cis	106.4	126.4	28.5	-69.6	0	0	0	0	113.4	G792	G792-S794 PolarHBondContact O-N 3.17Å; G792-S794 PolarHBondContact O-OG 3.38Å
795	L	33	Very low	36.9	Very low	161.333 Å²	161.333	137.7 Å²	137.7	85%	0.845	74%	0.735	S	S	*	*				-93.2	150	128.2	-89.9	163.7	0	0	0	112.7	V797	L795-V797 HydrophobicContact CD2-CG2 3.85Å
796	D	38.9	Very low	37	Very low	146.333 Å²	146.333	136.5 Å²	136.5	78%	0.783	73%	0.731	S	S	*	*				92.9	132.6	120.3	-133.2	2.6	0	0	0	114.6
797	V	39	Very low	37	Very low	127.667 Å²	127.667	139.1 Å²	139.1	77%	0.774	74%	0.736	S	S	*	*			trans	-141.4	140.7	-161.5	160.4	0	0	0	0	109.6	L795 E799	L795-V797 HydrophobicContact CD2-CG2 3.85Å; V797-E799 HydrophobicContact CG1-CB 4.37Å
798	G	40.3	Very low	36.9	Very low	64.3333 Å²	64.3333	140.9 Å²	140.9	66%	0.663	74%	0.741	S	S	*	*			trans	-135.8	143.8	173.2	0	0	0	0	0	112.4
799	E	39.4	Very low	36.8	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	75%	0.747	S	S	*	*				-143.5	139.2	64.9	-88.3	-168.5	162.8	0	0	113.9	V797 E801	V797-E799 HydrophobicContact CG1-CB 4.37Å; E799-E801 PolarHBondContact O-N 2.74Å
800	I	38.2	Very low	37	Very low	138 Å²	138	148.5 Å²	148.5	71%	0.708	76%	0.759	S	S	*	*				8	126.7	114.3	32.6	173.2	0	0	0	117.6
801	E	38.5	Very low	36.9	Very low	145 Å²	145	144.8 Å²	144.8	68%	0.678	76%	0.762	S	S	*	*			trans	-142	116.2	135.8	-125	-126.4	149.4	0	0	113.5	E799 K803	E799-E801 PolarHBondContact O-N 2.74Å; E801-K803 IonicContact OE1-NZ 2.85Å; E801-K803 PolarHBondContact OE1-NZ 3.11Å; E801-K803 IonicContact OE2-NZ 3.62Å; E801-K803 PolarHBondContact OE2-NZ 2.73Å
802	K	37.4	Very low	37.2	Very low	163.5 Å²	163.5	149.9 Å²	149.9	71%	0.711	77%	0.767	S	S	*	*				179.2	105	128.4	-77.4	161.4	-163.9	122.1	0	114.5	G804	K802-G804 PolarHBondContact O-N 3.35Å
803	K	41.2	Very low	37.2	Very low	181.5 Å²	181.5	158.6 Å²	158.6	79%	0.789	79%	0.785	S	S	*	*				-113.3	131.7	126.9	-61.2	163.4	-178.3	133.7	0	112.6	E801 E1571	E801-K803 IonicContact OE1-NZ 2.85Å; E801-K803 PolarHBondContact OE1-NZ 3.11Å; E801-K803 IonicContact OE2-NZ 3.62Å; E801-K803 PolarHBondContact OE2-NZ 2.73Å; K803-E1571 IonicContact NZ-OE2 2.65Å; K803-E1571 PolarHBondContact NZ-OE2 3.09Å
804	G	34.5	Very low	37.5	Very low	54.25 Å²	54.25	154.6 Å²	154.6	56%	0.559	78%	0.781	S	S	*	*			cis	154.6	135.8	6	0	0	0	0	0	113.3	K802 V1440 Y1441	K802-G804 PolarHBondContact O-N 3.35Å; G804-V1440 WeakPolarHBondContact O-CA 3.28Å; G804-Y1441 CarbonylContact C-O 3.5Å; G804-Y1441 WeakPolarHBondContact CA-O 3.47Å; G804-Y1441 PolarHBondContact N-O 3.15Å; G804-Y1441 PolarHBondContact O-N 3.42Å
805	K	37.1	Very low	37.7	Very low	209.75 Å²	209.75	159.2 Å²	159.2	91%	0.912	79%	0.788	S	S	*	*			trans	73.1	117	-179.1	-49.5	170.3	-176.9	175.9	0	115.6	Y1441	K805-Y1441 PolarHBondContact N-O 3.27Å
806	G	38.8	Very low	37.9	Very low	67 Å²	67	160.3 Å²	160.3	69%	0.691	79%	0.786	S	S	*	*				168.7	123.2	84.1	0	0	0	0	0	115.9
807	K	37.4	Very low	37.6	Very low	205.25 Å²	205.25	160.1 Å²	160.1	89%	0.892	78%	0.78	S	S	*	*			trans	-144.8	109.1	166.3	-88.2	-179.1	-178.9	177.9	0	112.2
808	K	38.7	Very low	37.6	Very low	193.5 Å²	193.5	163.5 Å²	163.5	84%	0.841	78%	0.779	S	S	*	*			trans	155.5	112.8	152.4	-67.4	-178.5	178.6	176.9	0	112.2	R810	K808-R810 PolarHBondContact O-N 3.31Å
809	R	36.2	Very low	37.4	Very low	231.5 Å²	231.5	169.8 Å²	169.8	87%	0.874	78%	0.783	S	S	*	*			trans	-111.5	123.6	140.7	-80	-179	128.2	175.9	0.1	106.9	G811	R809-G811 PolarHBondContact O-N 3.37Å
810	R	37.7	Very low	37.4	Very low	232.75 Å²	232.75	172.3 Å²	172.3	88%	0.878	79%	0.785	S	S	*	*				38.3	83.9	105.2	-73.9	-178	169.6	-174	-2.8	112.4	K808 R812	K808-R810 PolarHBondContact O-N 3.31Å; R810-R812 PolarHBondContact O-N 2.76Å
811	G	35.7	Very low	37.2	Very low	71.25 Å²	71.25	169.1 Å²	169.1	74%	0.735	79%	0.786	S	S	*	*				-177.6	143.4	91.7	0	0	0	0	0	110.3	R809	R809-G811 PolarHBondContact O-N 3.37Å
812	R	39	Very low	37.2	Very low	230.75 Å²	230.75	173.1 Å²	173.1	87%	0.871	80%	0.795	S	S	*	*			trans	-167.7	123.1	169.9	-81	-179.2	179.4	-165.3	0.5	111.2	R810	R810-R812 PolarHBondContact O-N 2.76Å
813	R	35	Very low	37.2	Very low	233.5 Å²	233.5	173.5 Å²	173.5	88%	0.881	80%	0.797	S	S	*	*			trans	35.1	116.6	132.7	-73.4	173.8	-179	-173.8	-1.7	112.4	K815	R813-K815 PolarHBondContact O-N 2.82Å
814	S	37.6	Very low	36.9	Very low	111.25 Å²	111.25	172.1 Å²	172.1	78%	0.778	79%	0.793	S	S	*	*				-129.4	120.3	104.9	65.5	0	0	0	0	110.5	K816	S814-K816 PolarHBondContact O-N 2.98Å
815	K	37.5	Very low	36.9	Very low	199.25 Å²	199.25	172.8 Å²	172.8	87%	0.866	80%	0.8	S	S	*	*			trans	38.3	112.6	139.8	-80.3	-171.4	175.2	-171.1	0	112.1	R813	R813-K815 PolarHBondContact O-N 2.82Å
816	K	37.4	Very low	36.9	Very low	184.5 Å²	184.5	171.5 Å²	171.5	80%	0.802	80%	0.797	S	S	*	*				-171.4	105	116.7	-143.6	173.8	-178.1	175.9	0	111.8	S814 R818	S814-K816 PolarHBondContact O-N 2.98Å; K816-R818 PolarHBondContact O-N 3.43Å
817	E	32.6	Very low	36.8	Very low	141.75 Å²	141.75	177.2 Å²	177.2	66%	0.662	81%	0.805	S	S	*	*			trans	2.7	130.9	138.1	-162.7	-179.5	160.8	0	0	113.1	Y613 R819	Y613-E817 HydrophobicContact CD1-CG 4.31Å; Y613-E817 HydrophobicContact CE1-CB 4.31Å; Y613-E817 HydrophobicContact CE1-CG 3.57Å; Y613-E817 PolarHBondContact OH-OE1 2.67Å; Y613-E817 PolarHBondContact OH-OE2 2.74Å; E817-R819 PolarHBondContact O-N 3.21Å; E817-R819 WeakPolarHBondContact OE1-CD 3.35Å; E817-R819 IonicContact OE1-CZ 3.92Å; E817-R819 IonicContact OE1-NE 3.62Å; E817-R819 IonicContact OE1-NH1 3.22Å; E817-R819 PolarHBondContact OE1-NH1 2.86Å
818	R	38.5	Very low	36.7	Very low	199.5 Å²	199.5	174 Å²	174	75%	0.753	80%	0.798	S	S	*	*			trans	-120	108.3	162.4	-95.6	170.5	112.3	157.7	-1.6	112.8	T615 K816 R820	T615-R818 PolarHBondContact OG1-O 3.47Å; K816-R818 PolarHBondContact O-N 3.43Å; R818-R820 PolarHBondContact O-N 2.84Å; R818-R820 VanDerWaalsContact O-N 3.16Å
819	R	36.4	Very low	36.6	Very low	197 Å²	197	172 Å²	172	74%	0.743	79%	0.792	S	S	*	*				-132.2	130.1	114.4	-94.1	167.7	-169.8	178.8	-4.1	110	S614 P616 E817	S614-R819 WeakPolarHBondContact O-CB 3.12Å; S614-R819 VanDerWaalsContact O-CD 3.25Å; S614-R819 WeakPolarHBondContact O-CD 3.25Å; S614-R819 WeakPolarHBondContact O-CG 2.97Å; S614-R819 PolarHBondContact O-NE 2.73Å; S614-R819 PolarHBondContact OG-NH2 2.7Å; P616-R819 VanDerWaalsContact CA-NH2 3.34Å; E817-R819 PolarHBondContact O-N 3.21Å; E817-R819 WeakPolarHBondContact OE1-CD 3.35Å; E817-R819 IonicContact OE1-CZ 3.92Å; E817-R819 IonicContact OE1-NE 3.62Å; E817-R819 IonicContact OE1-NH1 3.22Å; E817-R819 PolarHBondContact OE1-NH1 2.86Å
820	R	39.4	Very low	36.5	Very low	227.75 Å²	227.75	167.9 Å²	167.9	86%	0.859	79%	0.787	S	S	*	*			trans	171.8	125.1	152.6	-92.5	178.9	-174.4	-172.2	1	109.8	R818	R818-R820 PolarHBondContact O-N 2.84Å; R818-R820 VanDerWaalsContact O-N 3.16Å
821	G	34.6	Very low	36.7	Very low	71 Å²	71	162.1 Å²	162.1	73%	0.732	78%	0.78	S	S	*	*			cis	-146.8	148.9	50	0	0	0	0	0	112.9	K823	G821-K823 PolarHBondContact O-N 2.79Å
822	R	38	Very low	36.9	Very low	229 Å²	229	164.1 Å²	164.1	86%	0.864	78%	0.78	S	S	*	*			trans	57.7	117.7	146.1	-145.5	-174.1	-174	-171.1	3.9	114	E824	R822-E824 IonicContact CZ-OE1 3.89Å; R822-E824 IonicContact NE-OE1 2.59Å; R822-E824 PolarHBondContact NE-OE1 2.93Å; R822-E824 IonicContact NH2-OE1 2.78Å
823	K	37.1	Very low	36.3	Very low	171.25 Å²	171.25	158.9 Å²	158.9	75%	0.745	78%	0.778	S	S	*	*			trans	-139.6	131.2	135.2	-89.3	-166	164.9	-152.7	0	109.3	G821	G821-K823 PolarHBondContact O-N 2.79Å
824	E	35.6	Very low	36.5	Very low	153 Å²	153	153.5 Å²	153.5	72%	0.715	77%	0.773	S	S	*	*				49	126.6	119.1	-67.8	135.3	180	0	0	113.4	R822	R822-E824 IonicContact CZ-OE1 3.89Å; R822-E824 IonicContact NE-OE1 2.59Å; R822-E824 PolarHBondContact NE-OE1 2.93Å; R822-E824 IonicContact NH2-OE1 2.78Å
825	G	34.4	Very low	36.2	Very low	67.5 Å²	67.5	159.5 Å²	159.5	70%	0.696	78%	0.778	S	S	*	*			trans	-162.7	124.9	168.6	0	0	0	0	0	108.3
826	E	36.6	Very low	36	Very low	184 Å²	184	157.6 Å²	157.6	86%	0.86	78%	0.777	S	S	*	*			trans	-8.4	139.6	155.7	-118.2	149.8	162.2	0	0	111.2
827	E	37.3	Very low	35.7	Very low	185.5 Å²	185.5	154.1 Å²	154.1	87%	0.867	78%	0.775	S	S	*	*			cis	-136.3	160.4	29.1	-96	175.8	142.3	0	0	111.3
828	D	35.4	Very low	35.9	Very low	138.25 Å²	138.25	157.7 Å²	157.7	74%	0.739	78%	0.783	S	S	*	*			trans	-130.9	155.3	176.9	-161.3	18.9	0	0	0	115.9
829	Q	37.1	Very low	35.7	Very low	151 Å²	151	155.4 Å²	155.4	71%	0.706	78%	0.781	S	S	*	*			trans	63	91.7	166.4	-64.3	-68.4	-29.3	0	0	119
830	N	33.3	Very low	35.4	Very low	146.5 Å²	146.5	153 Å²	153	78%	0.783	78%	0.782	S	S	*	*			trans	-70.5	129.1	144.6	-78.8	-66	0	0	0	117
831	P	42.7	Very low	35.3	Very low	110 Å²	110	148 Å²	148	71%	0.714	77%	0.772	S	S	*	*			trans	-114.5	164.2	159.3	34.4	-21.9	0	0	0	112.9
832	P	38.5	Very low	35.5	Very low	113.25 Å²	113.25	151.2 Å²	151.2	74%	0.735	77%	0.772	S	S	*	*				-123.4	148.4	-94.2	37.5	-26	0	0	0	115.8	P834	P832-P834 WeakPolarHBondContact O-CD 3.32Å
833	C	27.1	Very low	35.4	Very low	122.75 Å²	122.75	147.5 Å²	147.5	83%	0.829	77%	0.765	S	S	*	*			trans	-0.5	156.4	163.2	-54.7	0	0	0	0	117.2	R835	C833-R835 PolarHBondContact O-N 2.84Å
834	P	39.4	Very low	35.3	Very low	119.5 Å²	119.5	148.3 Å²	148.3	78%	0.776	77%	0.768	S	S	*	*			trans	-113.2	150.4	-166.1	27.5	-14.1	0	0	0	114	P832 L836	P832-P834 WeakPolarHBondContact O-CD 3.32Å; P834-L836 PolarHBondContact O-N 2.88Å
835	R	31.4	Very low	35.1	Very low	237.25 Å²	237.25	144.4 Å²	144.4	90%	0.895	77%	0.769	S	S	*	*			trans	-160	137.4	161.4	-88.8	-176.6	172.6	157.6	-1.1	109.9	C833	C833-R835 PolarHBondContact O-N 2.84Å
836	L	32.2	Very low	35.3	Very low	158.75 Å²	158.75	147.2 Å²	147.2	83%	0.831	78%	0.775	S	S	*	*			trans	-14.2	119.9	143.2	-67	177.4	0	0	0	115	P834	P834-L836 PolarHBondContact O-N 2.88Å
837	S	31	Very low	35.1	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	78%	0.776	S	S	*	*			trans	39.2	139.8	140.6	64.2	0	0	0	0	118.5
838	R	38.1	Very low	35.1	Very low	218.5 Å²	218.5	144.8 Å²	144.8	83%	0.825	77%	0.772	S	S	*	*				163.5	130.1	115.7	-164.2	171.4	-173.7	156.7	5.8	113.1
839	E	33.9	Very low	35	Very low	150.5 Å²	150.5	146.1 Å²	146.1	70%	0.703	78%	0.778	S	S	*	*				152.7	145.2	126.1	-95.7	173.6	-172.6	0	0	113.5
840	L	30.1	Very low	34.9	Very low	147.5 Å²	147.5	147.3 Å²	147.3	77%	0.772	78%	0.784	S	S	*	*			trans	133.4	128.1	172.6	-66.7	173.3	0	0	0	113.7
841	L	37.1	Very low	35	Very low	123 Å²	123	147.8 Å²	147.8	64%	0.644	79%	0.787	S	S	*	*			trans	138.5	140.8	138.8	-81.9	170.4	0	0	0	113.6
842	D	38.3	Very low	34.4	Very low	136.75 Å²	136.75	147.1 Å²	147.1	73%	0.731	78%	0.784	S	S	*	*				70.3	135.3	125.8	-81.9	-15.6	0	0	0	116
843	E	35.7	Very low	34.3	Very low	152.25 Å²	152.25	148.4 Å²	148.4	71%	0.711	78%	0.784	S	S	*	*				136.5	137.8	61.9	-111.1	-143.2	153.8	0	0	114.1
844	K	37.1	Very low	34.6	Very low	186.5 Å²	186.5	148.3 Å²	148.3	81%	0.811	78%	0.776	S	S	*	*			trans	63.6	123.9	163.5	-49.8	-88.8	-177	166.2	0	116.9
845	G	30.5	Very low	34.3	Very low	71.25 Å²	71.25	151.6 Å²	151.6	74%	0.735	77%	0.773	S	S	*	*			trans	151.4	122.9	146.5	0	0	0	0	0	112.7
846	P	38.8	Very low	34.2	Very low	127.25 Å²	127.25	144.8 Å²	144.8	83%	0.826	76%	0.76	S	S	*	*			trans	-101.6	150.8	-174.1	33.4	-26	0	0	0	113.2
847	E	33.2	Very low	34.1	Very low	187.25 Å²	187.25	146.3 Å²	146.3	88%	0.875	76%	0.756	S	S	*	*			trans	-92.5	140.1	167.4	-63	-176.1	159.4	0	0	114.1
848	V	35.4	Very low	34.2	Very low	131.5 Å²	131.5	146.2 Å²	146.2	80%	0.797	76%	0.756	S	S	*	*			trans	-115	137	171	-166.5	0	0	0	0	111.7
849	L	33.4	Very low	33.9	Very low	166 Å²	166	141.1 Å²	141.1	87%	0.869	75%	0.749	S	S	*	*			trans	-111.9	141.6	149.2	-94.6	165.8	0	0	0	111.1
850	Q	35.6	Very low	34	Very low	176.5 Å²	176.5	139.2 Å²	139.2	83%	0.825	75%	0.75	S	S	*	*			trans	-127.6	124.9	168	-97.5	166.6	-19	0	0	111.4	S852	Q850-S852 PolarHBondContact O-N 2.88Å
851	D	34.5	Very low	34.1	Very low	156.5 Å²	156.5	137 Å²	137	84%	0.837	75%	0.747	S	S	*	*			trans	-105.7	133.7	165.5	-83.9	-46	0	0	0	110.2
852	S	32	Very low	33.9	Very low	95.5 Å²	95.5	134.3 Å²	134.3	67%	0.668	75%	0.748	S	S	*	*			trans	-164.6	121.3	162.1	54.8	0	0	0	0	111.3	Q850 D854	Q850-S852 PolarHBondContact O-N 2.88Å; S852-D854 PolarHBondContact O-N 3.44Å
853	L	34.6	Very low	33.5	Very low	140.5 Å²	140.5	133.5 Å²	133.5	74%	0.736	75%	0.752	S	S	*	*			trans	-8.9	114.6	163.6	-58.9	173.7	0	0	0	114.6	R855	L853-R855 PolarHBondContact O-N 2.91Å
854	D	33.8	Very low	33.3	Very low	120.75 Å²	120.75	133.7 Å²	133.7	65%	0.646	76%	0.758	S	S	*	*				0	138.9	129.3	-94.3	-55.8	0	0	0	116.6	S852	S852-D854 PolarHBondContact O-N 3.44Å
855	R	34	Very low	33.1	Very low	189 Å²	189	132.8 Å²	132.8	71%	0.713	76%	0.756	S	S	*	*			trans	149.1	105.9	137.8	-171	175.3	-84.2	-146.7	-0.8	116	L853 Y857	L853-R855 PolarHBondContact O-N 2.91Å; R855-Y857 VanDerWaalsContact CZ-OH 3.3Å; R855-Y857 PolarHBondContact NE-OH 3.15Å
856	C	29.3	Very low	33.2	Very low	94 Å²	94	136.7 Å²	136.7	64%	0.635	76%	0.759	S	S	*	*			trans	-82.9	149.7	148.4	-64.7	0	0	0	0	116.8
857	Y	30.5	Very low	32.8	Very low	189.5 Å²	189.5	136 Å²	136	74%	0.743	75%	0.753	S	S	*	*				-149.2	158.5	94.7	-61.7	-82.6	0	0	0	113.9	R855 Y959	R855-Y857 VanDerWaalsContact CZ-OH 3.3Å; R855-Y857 PolarHBondContact NE-OH 3.15Å; Y857-Y959 HydrophobicContact CE1-CD1 4.28Å; Y857-Y959 HydrophobicContact CE1-CG 4.22Å; Y857-Y959 VanDerWaalsContact CE2-O 3.31Å; Y857-Y959 WeakPolarHBondContact CE2-O 3.23Å; Y857-Y959 WeakPolarHBondContact OH-CB 3.42Å; Y857-Y959 PolarHBondContact OH-O 3.33Å
858	S	32.7	Very low	32.6	Very low	109.75 Å²	109.75	134 Å²	134	77%	0.767	75%	0.748	S	S	*	*			trans	125.8	148.2	147.4	-73	0	0	0	0	114.6
859	T	31.6	Very low	32.3	Very low	111.5 Å²	111.5	132.1 Å²	132.1	68%	0.684	74%	0.741	S	S	*	*			trans	-96.1	159.6	-161.9	-33.3	0	0	0	0	113	S861 L887	T859-S861 PolarHBondContact O-N 2.86Å; T859-L887 WeakPolarHBondContact O-CD1 3.37Å
860	P	35.1	Very low	32.1	Very low	110.5 Å²	110.5	129.3 Å²	129.3	72%	0.718	73%	0.734	S	S	*	*			trans	-119.3	158.9	141.8	35.4	-24.9	0	0	0	115.7
861	S	32.7	Very low	31.9	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	73%	0.727	S	S	*	*			trans	109.3	125.1	156.8	61.1	0	0	0	0	115.5	T859 C863 V885 G886 L887	T859-S861 PolarHBondContact O-N 2.86Å; S861-C863 PolarHBondContact O-N 3.21Å; S861-C863 VanDerWaalsContact O-N 3.11Å; S861-V885 CarbonylContact O-C 3.55Å; S861-V885 WeakPolarHBondContact O-CG1 3.46Å; S861-G886 CarbonylContact O-C 2.71Å; S861-L887 VanDerWaalsContact O-CA 3.28Å; S861-L887 WeakPolarHBondContact O-CA 3.32Å; S861-L887 PolarHBondContact O-N 3.18Å; S861-L887 WeakPolarHBondContact OG-CD2 3.19Å; S861-L887 WeakPolarHBondContact OG-CG 3.44Å
862	G	32.9	Very low	31.8	Very low	66.25 Å²	66.25	125.5 Å²	125.5	68%	0.683	72%	0.72	S	S	*	*			trans	-165.8	133.5	163.1	0	0	0	0	0	115	G886	G862-G886 VanDerWaalsContact C-N 3.3Å; G862-G886 WeakPolarHBondContact CA-O 3.17Å; G862-G886 PolarHBondContact O-N 3.14Å
863	C	29.7	Very low	31.5	Very low	119.75 Å²	119.75	130.8 Å²	130.8	81%	0.809	73%	0.727	S	S	*	*			trans	-124.5	147.4	-175.8	-61.2	0	0	0	0	113.9	S861	S861-C863 PolarHBondContact O-N 3.21Å; S861-C863 VanDerWaalsContact O-N 3.11Å
864	L	31.8	Very low	31.2	Very low	157.75 Å²	157.75	134.9 Å²	134.9	83%	0.826	73%	0.733	S	S	*	*			trans	-158.3	169.7	165	-97.4	163.7	0	0	0	115.4	L866	L864-L866 PolarHBondContact O-N 2.73Å
865	E	33.2	Very low	30.9	Very low	167 Å²	167	134.1 Å²	134.1	78%	0.78	74%	0.737	S	S	*	*			trans	-109.4	124.9	-167.7	-61.3	174.1	148.2	0	0	113.7	T867	E865-T867 PolarHBondContact O-N 3.31Å; E865-T867 VanDerWaalsContact O-N 3.12Å
866	L	31.8	Very low	30.6	Very low	152 Å²	152	129.1 Å²	129.1	80%	0.796	74%	0.736	S	S	*	*				-154.6	108.6	114.6	-77.1	174.2	0	0	0	109.8	L864 D868	L864-L866 PolarHBondContact O-N 2.73Å; L866-D868 VanDerWaalsContact C-N 3.34Å; L866-D868 PolarHBondContact O-N 2.76Å
867	T	31.7	Very low	30.5	Very low	113.25 Å²	113.25	133.8 Å²	133.8	70%	0.695	75%	0.746	S	S	*	*				29.7	119.5	110.5	-35.3	0	0	0	0	115.1	E865 S869	E865-T867 PolarHBondContact O-N 3.31Å; E865-T867 VanDerWaalsContact O-N 3.12Å; T867-S869 PolarHBondContact O-N 3.23Å
868	D	27.7	Very low	30.4	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	75%	0.749	S	S	*	*			trans	-70.8	138	154.2	-56.7	-50.1	0	0	0	117.1	L866 C870	L866-D868 VanDerWaalsContact C-N 3.34Å; L866-D868 PolarHBondContact O-N 2.76Å; D868-C870 PolarHBondContact O-N 3.44Å
869	S	30.2	Very low	30.2	Very low	92.75 Å²	92.75	136.5 Å²	136.5	65%	0.649	75%	0.749	S	S	*	*			trans	-107.8	130.5	164.9	62.9	0	0	0	0	116.6	T867 Q871	T867-S869 PolarHBondContact O-N 3.23Å; S869-Q871 PolarHBondContact O-N 2.95Å
870	C	29.2	Very low	30.2	Very low	106.5 Å²	106.5	138.7 Å²	138.7	72%	0.72	76%	0.756	S	S	*	*			trans	34.2	126.6	158.4	-69	0	0	0	0	116.2	D868 D1342	D868-C870 PolarHBondContact O-N 3.44Å; C870-D1342 PolarHBondContact SG-OD1 2.82Å
871	Q	30	Very low	30	Very low	147.25 Å²	147.25	140.3 Å²	140.3	69%	0.688	75%	0.754	S	S	*	*			trans	-97.3	168.5	141.6	-84.7	-68.2	-36.1	0	0	113.9	S869 D1339 S1340 D1342	S869-Q871 PolarHBondContact O-N 2.95Å; Q871-D1339 PolarHBondContact NE2-O 3.02Å; Q871-S1340 PolarHBondContact NE2-O 2.81Å; Q871-S1340 PolarHBondContact OE1-O 3Å; Q871-S1340 PolarHBondContact OE1-OG 2.74Å; Q871-D1342 WeakPolarHBondContact CG-OD1 3.46Å; Q871-D1342 PolarHBondContact NE2-OD1 3.19Å
872	P	33	Very low	30	Very low	106.25 Å²	106.25	143.3 Å²	143.3	69%	0.69	76%	0.756	S	S	*	*			trans	-110.4	149.8	-147.6	26.4	-14.7	0	0	0	117	R874	P872-R874 PolarHBondContact O-N 3.32Å
873	Y	26.2	Very low	30.1	Very low	207.5 Å²	207.5	146.5 Å²	146.5	81%	0.814	75%	0.753	S	S	*	*			trans	35.8	126.7	149.8	-104.7	-109.1	0	0	0	118.8
874	R	27.7	Very low	30	Very low	225 Å²	225	145.7 Å²	145.7	85%	0.849	75%	0.748	S	S	*	*			trans	-128.2	134.8	141.7	-120.9	-171.6	-174.5	-153.1	1.5	110.1	P872 A876	P872-R874 PolarHBondContact O-N 3.32Å; R874-A876 PolarHBondContact O-N 3.31Å; R874-A876 VanDerWaalsContact O-N 3.16Å
875	S	27.5	Very low	30.1	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	75%	0.745	S	S	*	*			trans	-17.9	127.1	177.3	61.6	0	0	0	0	116.2
876	A	28.8	Very low	30	Very low	83.5 Å²	83.5	138.6 Å²	138.6	69%	0.69	73%	0.732	S	S	*	*			trans	-89.6	152.1	130.2	0	0	0	0	0	113.6	R874 Y878	R874-A876 PolarHBondContact O-N 3.31Å; R874-A876 VanDerWaalsContact O-N 3.16Å; A876-Y878 HydrophobicContact CB-CD2 4.32Å; A876-Y878 HydrophobicContact CB-CE2 4.43Å; A876-Y878 PolarHBondContact O-N 2.97Å
877	F	27.4	Very low	30	Very low	193.5 Å²	193.5	138 Å²	138	85%	0.849	73%	0.729	S	S	*	*			trans	-89.4	134.8	158	-82.9	-88.4	0	0	0	113.1	I879	F877-I879 VanDerWaalsContact C-N 3.31Å; F877-I879 PolarHBondContact O-N 3.21Å
878	Y	26.5	Very low	30	Very low	206.75 Å²	206.75	135.4 Å²	135.4	81%	0.811	72%	0.72	S	S	*	*			trans	-81.2	125.7	164.4	-79.7	-82.8	0	0	0	110.7	A876	A876-Y878 HydrophobicContact CB-CD2 4.32Å; A876-Y878 HydrophobicContact CB-CE2 4.43Å; A876-Y878 PolarHBondContact O-N 2.97Å
879	I	29.5	Very low	30.3	Very low	149.25 Å²	149.25	134.2 Å²	134.2	77%	0.765	71%	0.712	S	S	*	*			trans	-28.3	117.5	130.4	-60	168.2	0	0	0	111.6	F877 E881	F877-I879 VanDerWaalsContact C-N 3.31Å; F877-I879 PolarHBondContact O-N 3.21Å; I879-E881 HydrophobicContact CG2-CG 4.26Å
880	L	31.3	Very low	30.7	Very low	157 Å²	157	134.8 Å²	134.8	82%	0.822	71%	0.708	S	S	*	*				4.3	136.2	113.2	-157	75	0	0	0	114.2	Q882	L880-Q882 VanDerWaalsContact C-N 3.33Å; L880-Q882 PolarHBondContact O-N 2.94Å
881	E	31.9	Very low	31	Very low	144.25 Å²	144.25	135.6 Å²	135.6	67%	0.674	70%	0.702	S	S	*	*			trans	-66.7	116.8	165.7	-96.6	171.6	146.7	0	0	113.9	I879 Q883 D1405 E1406	I879-E881 HydrophobicContact CG2-CG 4.26Å; E881-Q883 PolarHBondContact O-N 2.91Å; E881-Q883 VanDerWaalsContact O-N 3.14Å; E881-D1405 HydrophobicContact CB-CB 4.08Å; E881-E1406 PolarHBondContact OE2-N 3.5Å
882	Q	33.1	Very low	31.4	Very low	164 Å²	164	133.8 Å²	133.8	77%	0.766	70%	0.698	S	S	*	*			trans	60.3	100.3	162.1	-76.4	-135.4	117.1	0	0	114.1	L880 C884 D1405	L880-Q882 VanDerWaalsContact C-N 3.33Å; L880-Q882 PolarHBondContact O-N 2.94Å; Q882-C884 PolarHBondContact O-N 3.23Å; Q882-C884 PolarHBondContact O-SG 3.23Å; Q882-D1405 PolarHBondContact N-OD2 2.94Å
883	Q	33.1	Very low	31.7	Very low	132.75 Å²	132.75	137.2 Å²	137.2	62%	0.62	70%	0.704	S	S	*	*			trans	-57.3	122.7	151.9	-81.6	177.5	-38.5	0	0	112.9	E881 V885 S1357 L1403 L1404 D1405	E881-Q883 PolarHBondContact O-N 2.91Å; E881-Q883 VanDerWaalsContact O-N 3.14Å; Q883-V885 PolarHBondContact O-N 3.4Å; Q883-S1357 PolarHBondContact OE1-OG 2.72Å; Q883-S1357 VanDerWaalsContact OE1-OG 3.09Å; Q883-L1403 HydrophobicContact CB-CB 4.43Å; Q883-L1403 HydrophobicContact CB-CD2 3.84Å; Q883-L1403 HydrophobicContact CG-CD2 3.64Å; Q883-L1403 VanDerWaalsContact OE1-CA 3.31Å; Q883-L1404 HydrophobicContact CB-CD2 4.18Å; Q883-L1404 HydrophobicContact CB-CG 4.07Å; Q883-L1404 WeakPolarHBondContact O-CD2 3.28Å; Q883-D1405 PolarHBondContact N-OD2 3.2Å
884	C	28.8	Very low	32.5	Very low	102.5 Å²	102.5	133.5 Å²	133.5	69%	0.693	70%	0.697	S	S	*	*			trans	13.1	130.1	138.4	-62.2	0	0	0	0	113.3	Q882 G886 L1403 L1404	Q882-C884 PolarHBondContact O-N 3.23Å; Q882-C884 PolarHBondContact O-SG 3.23Å; C884-G886 VanDerWaalsContact C-N 3.26Å; C884-G886 PolarHBondContact O-N 2.87Å; C884-L1403 HydrophobicContact CB-CD1 4.01Å; C884-L1403 HydrophobicContact CB-CD2 3.83Å; C884-L1404 WeakPolarHBondContact O-CD1 3.49Å; C884-L1404 WeakPolarHBondContact O-CG 3.18Å
885	V	32.7	Very low	33	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	69%	0.694	S	S	*	*				5.4	106.7	108.2	-176.9	0	0	0	0	109.9	S861 Q883 L887	S861-V885 CarbonylContact O-C 3.55Å; S861-V885 WeakPolarHBondContact O-CG1 3.46Å; Q883-V885 PolarHBondContact O-N 3.4Å; V885-L887 VanDerWaalsContact C-N 3.26Å; V885-L887 PolarHBondContact O-N 3.29Å
886	G	31.4	Very low	33.5	Very low	49.75 Å²	49.75	133.3 Å²	133.3	51%	0.513	69%	0.692	S	S	.	*			trans	-107.5	70.1	-173.3	0	0	0	0	0	114.2	I690 S861 G862 C884 A888	I690-G886 WeakPolarHBondContact CD1-O 3.32Å; S861-G886 CarbonylContact O-C 2.71Å; G862-G886 VanDerWaalsContact C-N 3.3Å; G862-G886 WeakPolarHBondContact CA-O 3.17Å; G862-G886 PolarHBondContact O-N 3.14Å; C884-G886 VanDerWaalsContact C-N 3.26Å; C884-G886 PolarHBondContact O-N 2.87Å; G886-A888 VanDerWaalsContact C-N 3.33Å; G886-A888 PolarHBondContact O-N 3.26Å
887	L	31.8	Very low	33.9	Very low	138.5 Å²	138.5	138.6 Å²	138.6	73%	0.725	70%	0.695	S	S	*	*			trans	-4.5	108	150.5	-79	173.4	0	0	0	111.4	T859 S861 V885 I889	T859-L887 WeakPolarHBondContact O-CD1 3.37Å; S861-L887 VanDerWaalsContact O-CA 3.28Å; S861-L887 WeakPolarHBondContact O-CA 3.32Å; S861-L887 PolarHBondContact O-N 3.18Å; S861-L887 WeakPolarHBondContact OG-CD2 3.19Å; S861-L887 WeakPolarHBondContact OG-CG 3.44Å; V885-L887 VanDerWaalsContact C-N 3.26Å; V885-L887 PolarHBondContact O-N 3.29Å; L887-I889 HydrophobicContact CB-CG1 4.38Å; L887-I889 HydrophobicContact CD2-CG1 4.28Å; L887-I889 PolarHBondContact O-N 3.43Å
888	A	31.5	Very low	34.2	Very low	59.75 Å²	59.75	136.8 Å²	136.8	49%	0.494	69%	0.689	S	S	.	*			trans	-83.3	151.6	168.2	0	0	0	0	0	109.3	I690 G886 D890	I690-A888 HydrophobicContact CB-CB 4.22Å; I690-A888 HydrophobicContact CD1-CB 4.1Å; I690-A888 HydrophobicContact CG1-CB 3.89Å; I690-A888 HydrophobicContact CG2-CB 3.42Å; I690-A888 VanDerWaalsContact CG2-CB 3.42Å; G886-A888 VanDerWaalsContact C-N 3.33Å; G886-A888 PolarHBondContact O-N 3.26Å; A888-D890 PolarHBondContact O-N 3.06Å
889	I	34.9	Very low	34.5	Very low	120 Å²	120	134.5 Å²	134.5	62%	0.615	69%	0.686	S	S	*	*			trans	19.2	106.9	164.6	-57	168.7	0	0	0	110.3	L887 M891	L887-I889 HydrophobicContact CB-CG1 4.38Å; L887-I889 HydrophobicContact CD2-CG1 4.28Å; L887-I889 PolarHBondContact O-N 3.43Å; I889-M891 PolarHBondContact O-N 3.36Å
890	D	37.7	Very low	35	Very low	104 Å²	104	133 Å²	133	56%	0.556	68%	0.684	S	S	*	*				-137.4	134.3	50.9	-102.6	-17.9	0	0	0	108.6	P691 A888 D892	P691-D890 WeakPolarHBondContact CB-OD2 2.97Å; P691-D890 WeakPolarHBondContact CG-OD2 3.37Å; A888-D890 PolarHBondContact O-N 3.06Å; D890-D892 PolarHBondContact O-N 2.96Å
891	M	35.3	Very low	35.2	Very low	123.75 Å²	123.75	133.9 Å²	133.9	61%	0.61	68%	0.684	S	S	*	*			trans	125.4	114.3	144.3	-70.3	-171.8	48	0	0	115.9	R744 I889 I894	R744-M891 HydrophobicContact CB-SD 4.18Å; R744-M891 HydrophobicContact CG-CE 3.82Å; R744-M891 HydrophobicContact CG-SD 3.6Å; R744-M891 VanDerWaalsContact CG-SD 3.6Å; R744-M891 PolarHBondContact N-SD 3.4Å; I889-M891 PolarHBondContact O-N 3.36Å; M891-I894 HydrophobicContact CE-CD1 4.01Å
892	D	39.3	Very low	35.6	Very low	110.5 Å²	110.5	134.5 Å²	134.5	59%	0.591	69%	0.687	S	S	*	*			trans	-113.7	128.2	133.1	-74.7	-50.1	0	0	0	111.7	R744 D890 I894	R744-D892 VanDerWaalsContact CZ-CG 3.43Å; R744-D892 IonicContact CZ-OD1 3.98Å; R744-D892 IonicContact CZ-OD2 3.78Å; R744-D892 VanDerWaalsContact CZ-OD2 3.3Å; R744-D892 IonicContact NE-OD1 2.72Å; R744-D892 PolarHBondContact NE-OD1 2.99Å; R744-D892 IonicContact NH1-OD1 3.13Å; R744-D892 PolarHBondContact NH1-OD1 2.77Å; R744-D892 IonicContact NH1-OD2 3.95Å; R744-D892 PolarHBondContact NH1-OD2 3.48Å; R744-D892 IonicContact NH2-OD1 3.42Å; R744-D892 PolarHBondContact NH2-OD1 2.94Å; R744-D892 IonicContact NH2-OD2 2.86Å; R744-D892 PolarHBondContact NH2-OD2 3.16Å; D890-D892 PolarHBondContact O-N 2.96Å; D892-I894 PolarHBondContact O-N 3.41Å
893	E	39.8	Very low	35.6	Very low	176.25 Å²	176.25	132.5 Å²	132.5	82%	0.824	68%	0.681	S	S	*	*			trans	-115.9	84.6	152.6	-101.7	175	174.1	0	0	112.8	E895	E893-E895 HydrophobicContact CB-CG 4.29Å
894	I	43.5	Very low	35.9	Very low	131.5 Å²	131.5	133.8 Å²	133.8	67%	0.674	69%	0.687	S	S	*	*			trans	-119	80.1	145.5	-27.9	178	0	0	0	110.9	S743 M891 D892 K896	S743-I894 VanDerWaalsContact CB-CA 3.43Å; S743-I894 WeakPolarHBondContact OG-CA 2.83Å; S743-I894 PolarHBondContact OG-N 2.88Å; M891-I894 HydrophobicContact CE-CD1 4.01Å; D892-I894 PolarHBondContact O-N 3.41Å; I894-K896 VanDerWaalsContact C-N 3.34Å; I894-K896 HydrophobicContact CG2-CB 3.9Å
895	E	37.9	Very low	36.1	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	69%	0.688	S	S	*	*				-123.8	78.9	102.9	-111.8	-177.7	-176.2	0	0	112.5	S743 E893 Y897	S743-E895 WeakPolarHBondContact OG-CA 3.49Å; S743-E895 PolarHBondContact OG-N 2.74Å; S743-E895 VanDerWaalsContact OG-N 3.1Å; E893-E895 HydrophobicContact CB-CG 4.29Å; E895-Y897 PolarHBondContact O-N 3.03Å; E895-Y897 VanDerWaalsContact O-N 3.13Å
896	K	37.9	Very low	36.4	Very low	157.25 Å²	157.25	133 Å²	133	68%	0.684	68%	0.676	S	S	*	*			trans	-7.1	94.8	145.6	-139.7	-174.1	-174	172.1	0	116.4	S743 I894 Q898	S743-K896 PolarHBondContact OG-N 2.74Å; S743-K896 VanDerWaalsContact OG-N 3.08Å; I894-K896 VanDerWaalsContact C-N 3.34Å; I894-K896 HydrophobicContact CG2-CB 3.9Å; K896-Q898 PolarHBondContact O-N 2.74Å
897	Y	36.2	Very low	36.4	Very low	194.25 Å²	194.25	135.1 Å²	135.1	76%	0.762	68%	0.683	S	S	*	*			trans	-124.4	120.3	142.9	-85	-68.1	0	0	0	107.4	R744 E745 E895 E899	R744-Y897 WeakPolarHBondContact O-CE1 3.37Å; R744-Y897 PolarHBondContact O-OH 3.2Å; E745-Y897 PolarHBondContact OE2-OH 2.77Å; E895-Y897 PolarHBondContact O-N 3.03Å; E895-Y897 VanDerWaalsContact O-N 3.13Å; Y897-E899 VanDerWaalsContact C-N 3.33Å; Y897-E899 PolarHBondContact O-N 3.44Å
898	Q	33.6	Very low	36.5	Very low	155.25 Å²	155.25	134.2 Å²	134.2	73%	0.725	69%	0.687	S	S	*	*			trans	-13.6	114.7	132.2	-160.9	-178.7	-15.4	0	0	111.6	K896	K896-Q898 PolarHBondContact O-N 2.74Å
899	E	33.4	Very low	36.9	Very low	159.5 Å²	159.5	136.3 Å²	136.3	75%	0.745	70%	0.695	S	S	*	*			trans	133.8	129.1	142.2	-78	159	-163.4	0	0	115.4	Y897	Y897-E899 VanDerWaalsContact C-N 3.33Å; Y897-E899 PolarHBondContact O-N 3.44Å
900	V	39	Very low	36.8	Very low	117.25 Å²	117.25	141.1 Å²	141.1	71%	0.711	71%	0.706	S	S	*	*				144.1	135.4	123	-179.3	0	0	0	0	115.2	Q735 D736 E902	Q735-V900 WeakPolarHBondContact CA-O 3.49Å; D736-V900 WeakPolarHBondContact CB-O 3.29Å; D736-V900 PolarHBondContact N-O 2.74Å; D736-V900 VanDerWaalsContact N-O 3.11Å; V900-E902 HydrophobicContact CG1-CB 3.98Å; V900-E902 PolarHBondContact O-N 2.89Å
901	E	37.3	Very low	36.5	Very low	175.5 Å²	175.5	143.2 Å²	143.2	82%	0.82	72%	0.716	S	S	*	*			trans	-96.3	164.8	176.9	-103.4	172.9	146.3	0	0	113.1
902	E	38.8	Very low	36.6	Very low	157.75 Å²	157.75	142.3 Å²	142.3	74%	0.737	72%	0.722	S	S	*	*			trans	121.9	106.2	169.8	-102.4	178.5	170.6	0	0	116.8	V900 Q904 C1372	V900-E902 HydrophobicContact CG1-CB 3.98Å; V900-E902 PolarHBondContact O-N 2.89Å; E902-Q904 PolarHBondContact O-N 3.46Å; E902-C1372 WeakPolarHBondContact OE2-CB 3.41Å; E902-C1372 PolarHBondContact OE2-SG 3.32Å
903	D	33.8	Very low	36.5	Very low	121.5 Å²	121.5	146.6 Å²	146.6	65%	0.65	73%	0.73	S	S	*	*			trans	23.7	116.8	131.6	-69.9	-24.2	0	0	0	118.7
904	Q	38.4	Very low	36.4	Very low	160 Å²	160	144.2 Å²	144.2	75%	0.748	72%	0.719	S	S	*	*			trans	-178.7	105.1	131.7	-78.7	-140.3	28.2	0	0	114.6	E902 P906 Q1370	E902-Q904 PolarHBondContact O-N 3.46Å; Q904-P906 WeakPolarHBondContact O-CD 3.5Å; Q904-Q1370 PolarHBondContact O-N 3.04Å
905	D	34.8	Very low	35.9	Very low	133.75 Å²	133.75	144.1 Å²	144.1	72%	0.715	72%	0.719	S	S	*	*			trans	-36.9	129.7	139.2	-153.6	22.1	0	0	0	113.7	S907	D905-S907 PolarHBondContact O-N 3.43Å
906	P	38.3	Very low	35.8	Very low	79.25 Å²	79.25	141.5 Å²	141.5	52%	0.515	71%	0.71	S	S	.	*			trans	-109.5	141.3	-140.9	34.8	-28.5	0	0	0	115.9	Q904 L1368 E1369	Q904-P906 WeakPolarHBondContact O-CD 3.5Å; P906-L1368 VanDerWaalsContact CD-C 3.46Å; P906-L1368 PolarHBondContact O-N 3.13Å; P906-E1369 WeakPolarHBondContact CD-O 3.46Å
907	S	31	Very low	35.7	Very low	93.75 Å²	93.75	140.7 Å²	140.7	66%	0.656	71%	0.713	S	S	*	*			trans	45.7	117.7	144.2	-4.3	0	0	0	0	118	D905 I1367	D905-S907 PolarHBondContact O-N 3.43Å; S907-I1367 VanDerWaalsContact O-CG2 3.27Å; S907-I1367 WeakPolarHBondContact O-CG2 3.48Å
908	C	33.8	Very low	35.8	Very low	119 Å²	119	137.7 Å²	137.7	80%	0.804	71%	0.706	S	S	*	*			trans	-91.2	148.5	143.9	-69.4	0	0	0	0	112.3	R910	C908-R910 PolarHBondContact O-N 2.95Å
909	P	40	Very low	36.1	Very low	104 Å²	104	137 Å²	137	68%	0.675	70%	0.701	S	S	*	*			trans	-122.2	150.9	134.7	24	-9.2	0	0	0	115.3	Y1366 I1367	P909-Y1366 HydrophobicContact CB-CD2 3.92Å; P909-Y1366 HydrophobicContact CB-CE1 4.26Å; P909-Y1366 HydrophobicContact CB-CE2 3.17Å; P909-Y1366 WeakPolarHBondContact CB-OH 3.23Å; P909-Y1366 HydrophobicContact CG-CD1 4.17Å; P909-Y1366 HydrophobicContact CG-CD2 3.78Å; P909-Y1366 HydrophobicContact CG-CE1 3.75Å; P909-Y1366 HydrophobicContact CG-CE2 3.41Å; P909-Y1366 VanDerWaalsContact CG-CE2 3.41Å; P909-Y1366 HydrophobicContact CG-CG 4.22Å; P909-I1367 HydrophobicContact CG-CD1 3.63Å; P909-I1367 HydrophobicContact CG-CG1 4.03Å
910	R	32.2	Very low	36.2	Very low	221 Å²	221	137.6 Å²	137.6	83%	0.834	70%	0.703	S	S	*	*			trans	-1.8	124.3	170.6	-69.7	-173.1	159.4	151.4	3.9	114	C908 Y1366	C908-R910 PolarHBondContact O-N 2.95Å; R910-Y1366 WeakPolarHBondContact CD-OH 3.13Å; R910-Y1366 WeakPolarHBondContact CG-OH 3.13Å; R910-Y1366 PolarHBondContact NE-OH 2.57Å; R910-Y1366 PolarHBondContact NH2-OH 3.39Å
911	L	32.7	Very low	36	Very low	148.5 Å²	148.5	136.9 Å²	136.9	78%	0.777	70%	0.701	S	S	*	*				124.2	133.7	81.7	-73.8	-176.1	0	0	0	111.8
912	S	37.3	Very low	35.9	Very low	104.25 Å²	104.25	136.7 Å²	136.7	73%	0.729	70%	0.7	S	S	*	*			trans	174.8	137.2	133.2	34	0	0	0	0	111.1	R1232	S912-R1232 PolarHBondContact O-NH1 3.26Å; S912-R1232 PolarHBondContact O-NH2 2.62Å
913	R	37.8	Very low	35.8	Very low	200.25 Å²	200.25	134.2 Å²	134.2	76%	0.756	70%	0.695	S	S	*	*			cis	140.4	104.7	38.9	-176	-171.8	177.3	135.2	8.4	113.5	R1232	R913-R1232 PolarHBondContact O-NE 2.81Å; R913-R1232 PolarHBondContact O-NH2 2.92Å
914	E	36	Very low	35.7	Very low	127.25 Å²	127.25	135.4 Å²	135.4	60%	0.595	70%	0.701	S	S	*	*			trans	70.9	129	155.5	-76.2	145.6	-169.1	0	0	114.6	E918 R1232 E1233 V1235	E914-E918 VanDerWaalsContact C-OE2 3.28Å; E914-R1232 WeakPolarHBondContact O-CD 2.99Å; E914-R1232 PolarHBondContact O-NE 3.42Å; E914-E1233 CarbonylContact C-O 3.59Å; E914-E1233 WeakPolarHBondContact CA-O 3.28Å; E914-V1235 HydrophobicContact CG-CB 4.12Å; E914-V1235 HydrophobicContact CG-CG2 3.67Å
915	L	32.8	Very low	35.8	Very low	129.75 Å²	129.75	134.5 Å²	134.5	68%	0.679	70%	0.697	S	S	*	*				-144	140.9	62.1	-99.8	-166.2	0	0	0	110.1	E918 R1232 E1233 V1235	L915-E918 PolarHBondContact N-OE2 2.7Å; L915-R1232 WeakPolarHBondContact CD1-O 3.15Å; L915-R1232 HydrophobicContact CG-CB 4.13Å; L915-R1232 VanDerWaalsContact CG-O 3.24Å; L915-R1232 WeakPolarHBondContact CG-O 3.24Å; L915-E1233 PolarHBondContact N-O 2.75Å; L915-V1235 PolarHBondContact O-N 3.45Å
916	L	36.2	Very low	35.8	Very low	112.5 Å²	112.5	134.6 Å²	134.6	59%	0.589	70%	0.697	S	S	*	*				74.7	132	107.8	-84.1	164	0	0	0	113.7	E918 L1234 V1235	L916-E918 VanDerWaalsContact C-OE1 3.22Å; L916-E918 VanDerWaalsContact CA-OE1 3.31Å; L916-E918 WeakPolarHBondContact CA-OE1 2.91Å; L916-E918 HydrophobicContact CB-CB 3.94Å; L916-E918 HydrophobicContact CD1-CB 3.78Å; L916-E918 HydrophobicContact CD1-CG 4.14Å; L916-E918 WeakPolarHBondContact CD1-OE2 3.36Å; L916-E918 HydrophobicContact CD2-CB 3.81Å; L916-E918 HydrophobicContact CD2-CG 3.93Å; L916-E918 HydrophobicContact CG-CB 3.99Å; L916-E918 HydrophobicContact CG-CG 4.49Å; L916-E918 VanDerWaalsContact N-CD 3.33Å; L916-E918 PolarHBondContact N-OE1 3.26Å; L916-E918 PolarHBondContact N-OE2 3.08Å; L916-E918 WeakPolarHBondContact O-CB 3.19Å; L916-L1234 HydrophobicContact CD1-CB 3.87Å; L916-L1234 HydrophobicContact CD1-CD1 4.02Å; L916-L1234 HydrophobicContact CD1-CG 3.47Å; L916-L1234 VanDerWaalsContact CD1-CG 3.47Å; L916-L1234 HydrophobicContact CD2-CD1 4.01Å; L916-L1234 HydrophobicContact CD2-CG 4.4Å; L916-L1234 HydrophobicContact CG-CB 4.09Å; L916-L1234 HydrophobicContact CG-CD1 3.66Å; L916-L1234 HydrophobicContact CG-CG 3.67Å; L916-V1235 VanDerWaalsContact CB-O 3.28Å; L916-V1235 WeakPolarHBondContact CB-O 3.42Å; L916-V1235 PolarHBondContact N-O 3.47Å
917	D	37	Very low	35.6	Very low	139.5 Å²	139.5	134.7 Å²	134.7	75%	0.746	70%	0.7	S	S	*	*			trans	35.8	92	130.6	-113.7	-2.2	0	0	0	114.2	K919	D917-K919 WeakPolarHBondContact O-CA 3.35Å; D917-K919 WeakPolarHBondContact O-CB 3.48Å; D917-K919 PolarHBondContact O-N 3.26Å
918	E	38.5	Very low	36	Very low	132.25 Å²	132.25	136.9 Å²	136.9	62%	0.618	70%	0.704	S	S	*	*			trans	-112	97.5	163.3	-76.4	-152.8	145.6	0	0	115.7	E914 L915 L916 E1236 V1237	E914-E918 VanDerWaalsContact C-OE2 3.28Å; L915-E918 PolarHBondContact N-OE2 2.7Å; L916-E918 VanDerWaalsContact C-OE1 3.22Å; L916-E918 VanDerWaalsContact CA-OE1 3.31Å; L916-E918 WeakPolarHBondContact CA-OE1 2.91Å; L916-E918 HydrophobicContact CB-CB 3.94Å; L916-E918 HydrophobicContact CD1-CB 3.78Å; L916-E918 HydrophobicContact CD1-CG 4.14Å; L916-E918 WeakPolarHBondContact CD1-OE2 3.36Å; L916-E918 HydrophobicContact CD2-CB 3.81Å; L916-E918 HydrophobicContact CD2-CG 3.93Å; L916-E918 HydrophobicContact CG-CB 3.99Å; L916-E918 HydrophobicContact CG-CG 4.49Å; L916-E918 VanDerWaalsContact N-CD 3.33Å; L916-E918 PolarHBondContact N-OE1 3.26Å; L916-E918 PolarHBondContact N-OE2 3.08Å; L916-E918 WeakPolarHBondContact O-CB 3.19Å; E918-E1236 HydrophobicContact CB-CB 4.23Å; E918-E1236 HydrophobicContact CB-CG 4.19Å; E918-E1236 VanDerWaalsContact OE2-CB 3.3Å; E918-E1236 WeakPolarHBondContact OE2-CB 3.14Å; E918-E1236 VanDerWaalsContact OE2-CG 3.27Å; E918-E1236 WeakPolarHBondContact OE2-CG 3.36Å; E918-V1237 PolarHBondContact O-N 2.81Å
919	K	39.3	Very low	36.2	Very low	141.5 Å²	141.5	137 Å²	137	62%	0.615	70%	0.696	S	S	*	*			trans	76.8	118.7	152.9	-75.1	-71.1	176.4	-118.6	0	117	D917 P921 E1236 V1238	D917-K919 WeakPolarHBondContact O-CA 3.35Å; D917-K919 WeakPolarHBondContact O-CB 3.48Å; D917-K919 PolarHBondContact O-N 3.26Å; K919-P921 WeakPolarHBondContact O-CD 3.12Å; K919-E1236 WeakPolarHBondContact CE-OE1 3.47Å; K919-E1236 HydrophobicContact CG-CG 3.99Å; K919-E1236 IonicContact NZ-OE1 2.65Å; K919-E1236 PolarHBondContact NZ-OE1 2.73Å; K919-V1238 WeakPolarHBondContact CB-O 3.15Å
920	E	35.6	Very low	36.1	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	70%	0.699	S	S	*	*			trans	-56.6	135.2	152.4	-68.4	177.2	138.3	0	0	111.5	E922 V1238	E920-E922 PolarHBondContact O-N 2.84Å; E920-V1238 CarbonylContact C-O 3.56Å; E920-V1238 VanDerWaalsContact O-O 3.09Å
921	P	34.7	Very low	36.4	Very low	102.25 Å²	102.25	135.3 Å²	135.3	66%	0.664	69%	0.69	S	S	*	*			trans	-99.9	103.2	172.2	20.9	-11.8	0	0	0	113.5	K919 V923 L924 V1238	K919-P921 WeakPolarHBondContact O-CD 3.12Å; P921-V923 PolarHBondContact O-N 3.1Å; P921-V923 VanDerWaalsContact O-N 3.14Å; P921-V923 VanDerWaalsContact O-O 3.13Å; P921-L924 WeakPolarHBondContact CB-O 3.46Å; P921-L924 WeakPolarHBondContact CG-O 3.32Å; P921-V1238 WeakPolarHBondContact CA-O 3.14Å; P921-V1238 HydrophobicContact CB-CG1 3.92Å
922	E	34.7	Very low	36.5	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	69%	0.691	S	S	*	*	S	Bend	trans	-1.7	100.2	165.1	-115.8	-171.4	160.4	0	0	113.7	E920 V1238 E1239	E920-E922 PolarHBondContact O-N 2.84Å; E922-V1238 HydrophobicContact CB-CG1 3.37Å; E922-V1238 VanDerWaalsContact N-CG1 3.34Å; E922-E1239 WeakPolarHBondContact CA-O 3.47Å; E922-E1239 PolarHBondContact N-O 3.4Å; E922-E1239 VanDerWaalsContact N-O 3.13Å
923	V	37.2	Very low	36.3	Very low	105 Å²	105	137.4 Å²	137.4	64%	0.636	69%	0.687	S	S	*	*			trans	-165.5	146.4	139.1	-124.5	0	0	0	0	111.6	P921 E1241	P921-V923 PolarHBondContact O-N 3.1Å; P921-V923 VanDerWaalsContact O-N 3.14Å; P921-V923 VanDerWaalsContact O-O 3.13Å; V923-E1241 HydrophobicContact CB-CB 4.43Å; V923-E1241 HydrophobicContact CG1-CB 3.72Å
924	L	32.3	Very low	36.2	Very low	146.5 Å²	146.5	134.7 Å²	134.7	77%	0.767	69%	0.686	S	S	*	*			trans	66.7	129	151.9	-62.5	173.7	0	0	0	114.4	P921 E1241 V1242 L1243	P921-L924 WeakPolarHBondContact CB-O 3.46Å; P921-L924 WeakPolarHBondContact CG-O 3.32Å; L924-E1241 PolarHBondContact N-O 3.35Å; L924-V1242 WeakPolarHBondContact CD2-O 3.3Å; L924-L1243 WeakPolarHBondContact CB-O 3.35Å; L924-L1243 WeakPolarHBondContact CD1-O 3.05Å; L924-L1243 HydrophobicContact CD2-CB 4.32Å; L924-L1243 VanDerWaalsContact CD2-O 3.28Å; L924-L1243 WeakPolarHBondContact CD2-O 3.32Å; L924-L1243 WeakPolarHBondContact CG-O 3.28Å
925	Q	39	Very low	36	Very low	140.5 Å²	140.5	132.8 Å²	132.8	66%	0.657	69%	0.685	S	S	*	*			trans	-156.9	147.8	168.8	-124.7	168.5	36.8	0	0	112.7	S927 V1242 Q1244	Q925-S927 PolarHBondContact NE2-OG 2.82Å; Q925-S927 PolarHBondContact OE1-OG 3.12Å; Q925-V1242 HydrophobicContact CG-CB 3.54Å; Q925-V1242 HydrophobicContact CG-CG1 3.6Å; Q925-Q1244 VanDerWaalsContact OE1-CD 3.22Å; Q925-Q1244 VanDerWaalsContact OE1-NE2 3.15Å
926	D	34.5	Very low	36	Very low	135.75 Å²	135.75	130.4 Å²	130.4	73%	0.726	68%	0.679	S	S	*	*			trans	6	151.5	149.3	-61.5	-42.7	0	0	0	117.8	L928	D926-L928 PolarHBondContact O-N 3.17Å
927	S	34.6	Very low	35.9	Very low	82.25 Å²	82.25	128 Å²	128	58%	0.575	68%	0.682	S	S	*	*			trans	165.4	37.1	176	58.4	0	0	0	0	119.5	Q925 D943 L944 G945 Q946 Q1244	Q925-S927 PolarHBondContact NE2-OG 2.82Å; Q925-S927 PolarHBondContact OE1-OG 3.12Å; S927-D943 PolarHBondContact OG-O 3.49Å; S927-D943 VanDerWaalsContact OG-O 3.08Å; S927-L944 VanDerWaalsContact CB-C 3.5Å; S927-L944 WeakPolarHBondContact CB-O 3.48Å; S927-L944 PolarHBondContact OG-O 3.45Å; S927-G945 PolarHBondContact OG-N 2.74Å; S927-Q946 CarbonylContact C-O 3.32Å; S927-Q1244 PolarHBondContact OG-NE2 2.92Å
928	L	40.8	Very low	35.7	Very low	140.75 Å²	140.75	130 Å²	130	74%	0.737	68%	0.68	S	S	*	*			trans	-132.4	119.9	163.9	-75.1	179.6	0	0	0	114.6	D926 L944 G945 Q946 D1245 L1247	D926-L928 PolarHBondContact O-N 3.17Å; L928-L944 PolarHBondContact N-O 2.89Å; L928-L944 VanDerWaalsContact N-O 3.13Å; L928-G945 CarbonylContact O-C 3.01Å; L928-G945 VanDerWaalsContact O-CA 3.29Å; L928-G945 WeakPolarHBondContact O-CA 2.98Å; L928-Q946 PolarHBondContact O-N 2.86Å; L928-D1245 HydrophobicContact CB-CB 4.15Å; L928-D1245 HydrophobicContact CD1-CB 4.11Å; L928-D1245 HydrophobicContact CG-CB 4.16Å; L928-D1245 PolarHBondContact N-OD1 3.29Å; L928-D1245 PolarHBondContact N-OD2 2.79Å; L928-L1247 HydrophobicContact CD1-CD2 3.83Å
929	D	38	Very low	35.4	Very low	120.5 Å²	120.5	130.6 Å²	130.6	64%	0.644	69%	0.687	S	S	*	*			trans	-89.2	145.1	161.9	-102.6	-36	0	0	0	116.6	C931 Q946 P947 Y948	D929-C931 PolarHBondContact O-N 2.97Å; D929-Q946 VanDerWaalsContact CG-NE2 3.31Å; D929-Q946 PolarHBondContact OD1-NE2 2.55Å; D929-P947 VanDerWaalsContact OD2-C 3.25Å; D929-Y948 PolarHBondContact OD2-N 3.13Å
930	R	37.4	Very low	35	Very low	192.75 Å²	192.75	131.6 Å²	131.6	73%	0.727	69%	0.693	S	S	*	*			trans	-134	87.6	140.1	-161.7	-166.5	-119.1	-153.7	3.7	114.1	Y932 S936 Y938	R930-Y932 HydrophobicContact CG-CD2 4.36Å; R930-Y932 PolarHBondContact NH1-O 2.81Å; R930-Y932 PolarHBondContact O-N 3.27Å; R930-S936 VanDerWaalsContact CZ-OG 3.3Å; R930-S936 PolarHBondContact NE-OG 3.34Å; R930-S936 PolarHBondContact NH2-OG 3.29Å; R930-Y938 HydrophobicContact CB-CE2 4.36Å; R930-Y938 HydrophobicContact CG-CD2 4.04Å; R930-Y938 HydrophobicContact CG-CE2 3.72Å
931	C	37.6	Very low	35.2	Very low	96.5 Å²	96.5	130.8 Å²	130.8	65%	0.652	69%	0.694	S	S	*	*			trans	-97.9	125.7	165.2	-71.9	0	0	0	0	110.8	D929 S933 Y938	D929-C931 PolarHBondContact O-N 2.97Å; C931-S933 PolarHBondContact O-N 3.22Å; C931-S933 VanDerWaalsContact O-N 3.16Å; C931-S933 PolarHBondContact O-OG 2.94Å; C931-Y938 PolarHBondContact N-OH 3.32Å; C931-Y938 VanDerWaalsContact O-CE2 3.25Å; C931-Y938 WeakPolarHBondContact O-CE2 3.28Å; C931-Y938 PolarHBondContact O-OH 3.12Å; C931-Y938 VanDerWaalsContact O-OH 3.07Å
932	Y	34.7	Very low	35.2	Very low	202.25 Å²	202.25	131.1 Å²	131.1	79%	0.793	70%	0.696	S	S	*	*				-141.4	130	122.9	-86.2	-60.9	0	0	0	109.6	R930	R930-Y932 HydrophobicContact CG-CD2 4.36Å; R930-Y932 PolarHBondContact NH1-O 2.81Å; R930-Y932 PolarHBondContact O-N 3.27Å
933	S	33.4	Very low	35	Very low	93.5 Å²	93.5	129.7 Å²	129.7	65%	0.654	69%	0.694	S	S	*	*			trans	-143.5	116	166.4	-64	0	0	0	0	111.8	C931 K1765	C931-S933 PolarHBondContact O-N 3.22Å; C931-S933 VanDerWaalsContact O-N 3.16Å; C931-S933 PolarHBondContact O-OG 2.94Å; S933-K1765 WeakPolarHBondContact OG-CB 3.33Å; S933-K1765 WeakPolarHBondContact OG-CG 3.31Å
934	I	35.8	Very low	34.9	Very low	144 Å²	144	132.5 Å²	132.5	74%	0.738	71%	0.705	S	S	*	*				-127.4	133.8	128.7	-51.6	165.1	0	0	0	108	S936 P1179 K1765 H1766	I934-S936 PolarHBondContact O-N 2.84Å; I934-P1179 HydrophobicContact CD1-CB 3.47Å; I934-P1179 VanDerWaalsContact CD1-CB 3.47Å; I934-P1179 HydrophobicContact CG1-CB 3.96Å; I934-K1765 CarbonylContact O-C 3.44Å; I934-K1765 WeakPolarHBondContact O-CA 3.21Å; I934-H1766 PolarHBondContact O-N 3.27Å
935	P	31.8	Very low	34.9	Very low	87.75 Å²	87.75	128.1 Å²	128.1	57%	0.57	69%	0.694	S	S	*	*				-106.3	169.5	-117.9	33.9	-23.4	0	0	0	111	R480 E1764 K1765 H1766 V1767	R480-P935 PolarHBondContact NH2-O 3.5Å; P935-E1764 CarbonylContact C-O 3.07Å; P935-E1764 VanDerWaalsContact CA-O 3.28Å; P935-E1764 WeakPolarHBondContact CA-O 3.25Å; P935-E1764 CarbonylContact O-C 3.31Å; P935-K1765 CarbonylContact O-C 3.17Å; P935-K1765 WeakPolarHBondContact O-CA 3.41Å; P935-K1765 PolarHBondContact O-N 2.88Å; P935-H1766 WeakPolarHBondContact CD-O 3.28Å; P935-H1766 PolarHBondContact O-N 3.46Å; P935-V1767 WeakPolarHBondContact CD-O 3.33Å; P935-V1767 VanDerWaalsContact CG-O 3.23Å; P935-V1767 WeakPolarHBondContact CG-O 3.39Å
936	S	33.8	Very low	34.6	Very low	79.5 Å²	79.5	127.9 Å²	127.9	56%	0.556	69%	0.693	S	S	*	*			trans	65.4	122.1	156.2	42.4	0	0	0	0	115.5	R480 I481 R930 I934 Y938 E1764	R480-S936 PolarHBondContact NE-O 2.88Å; R480-S936 PolarHBondContact NH2-O 3.12Å; I481-S936 WeakPolarHBondContact CD1-O 3.13Å; R930-S936 VanDerWaalsContact CZ-OG 3.3Å; R930-S936 PolarHBondContact NE-OG 3.34Å; R930-S936 PolarHBondContact NH2-OG 3.29Å; I934-S936 PolarHBondContact O-N 2.84Å; S936-Y938 WeakPolarHBondContact O-CD2 3.34Å; S936-Y938 PolarHBondContact O-N 2.79Å; S936-E1764 PolarHBondContact N-O 3.14Å
937	G	33.4	Very low	34.5	Very low	61.5 Å²	61.5	126.6 Å²	126.6	63%	0.634	69%	0.692	S	S	*	*			trans	-140.9	112.4	164.9	0	0	0	0	0	113.7	I481 L939	I481-G937 VanDerWaalsContact CD1-N 3.34Å; G937-L939 PolarHBondContact O-N 3.06Å
938	Y	31.7	Very low	34.3	Very low	182.75 Å²	182.75	131.9 Å²	131.9	72%	0.717	70%	0.701	S	S	*	*			trans	15.1	129.1	165.9	-65.1	-101.2	0	0	0	116.2	K482 R930 C931 S936	K482-Y938 PolarHBondContact NZ-O 2.74Å; K482-Y938 VanDerWaalsContact NZ-O 3.16Å; R930-Y938 HydrophobicContact CB-CE2 4.36Å; R930-Y938 HydrophobicContact CG-CD2 4.04Å; R930-Y938 HydrophobicContact CG-CE2 3.72Å; C931-Y938 PolarHBondContact N-OH 3.32Å; C931-Y938 VanDerWaalsContact O-CE2 3.25Å; C931-Y938 WeakPolarHBondContact O-CE2 3.28Å; C931-Y938 PolarHBondContact O-OH 3.12Å; C931-Y938 VanDerWaalsContact O-OH 3.07Å; S936-Y938 WeakPolarHBondContact O-CD2 3.34Å; S936-Y938 PolarHBondContact O-N 2.79Å
939	L	33.3	Very low	33.9	Very low	144.25 Å²	144.25	130 Å²	130	76%	0.755	70%	0.7	S	S	*	*				149.1	119.3	88.5	-148	120.1	0	0	0	111.1	G937 L941	G937-L939 PolarHBondContact O-N 3.06Å; L939-L941 HydrophobicContact CD2-CG 4.32Å; L939-L941 PolarHBondContact O-N 3.21Å
940	E	31.6	Very low	33.6	Very low	161.75 Å²	161.75	128.8 Å²	128.8	76%	0.756	70%	0.701	S	S	*	*			trans	-1.2	106.2	163.2	-63.8	175.3	134.7	0	0	115.3
941	L	39	Very low	33.3	Very low	155.5 Å²	155.5	123.3 Å²	123.3	81%	0.814	70%	0.696	S	S	*	*				-86.5	118.3	124.8	-74.4	168.4	0	0	0	109.1	L939	L939-L941 HydrophobicContact CD2-CG 4.32Å; L939-L941 PolarHBondContact O-N 3.21Å
942	P	35.2	Very low	32.8	Very low	108.5 Å²	108.5	123.6 Å²	123.6	71%	0.705	70%	0.695	S	S	*	*			trans	-96.1	153.6	157.7	-3.5	19.8	0	0	0	113.4	L944	P942-L944 PolarHBondContact O-N 3.22Å
943	D	30.6	Very low	32.9	Very low	142.5 Å²	142.5	122 Å²	122	76%	0.762	69%	0.689	S	S	*	*			trans	16.7	100.8	146.2	-64.2	-44	0	0	0	117.3	K483 S927	K483-D943 IonicContact NZ-OD1 2.51Å; S927-D943 PolarHBondContact OG-O 3.49Å; S927-D943 VanDerWaalsContact OG-O 3.08Å
944	L	34	Very low	33.2	Very low	163.5 Å²	163.5	120.9 Å²	120.9	86%	0.856	68%	0.681	S	S	*	*			trans	-175	112.8	148.5	-112.5	146	0	0	0	113.9	S927 L928 P942	S927-L944 VanDerWaalsContact CB-C 3.5Å; S927-L944 WeakPolarHBondContact CB-O 3.48Å; S927-L944 PolarHBondContact OG-O 3.45Å; L928-L944 PolarHBondContact N-O 2.89Å; L928-L944 VanDerWaalsContact N-O 3.13Å; P942-L944 PolarHBondContact O-N 3.22Å
945	G	32.4	Very low	33.1	Very low	53 Å²	53	119.8 Å²	119.8	55%	0.546	68%	0.676	S	S	.	*			trans	125.6	110.8	-160.5	0	0	0	0	0	116.7	S927 L928	S927-G945 PolarHBondContact OG-N 2.74Å; L928-G945 CarbonylContact O-C 3.01Å; L928-G945 VanDerWaalsContact O-CA 3.29Å; L928-G945 WeakPolarHBondContact O-CA 2.98Å
946	Q	33.6	Very low	33.5	Very low	138 Å²	138	122.3 Å²	122.3	65%	0.645	68%	0.68	S	S	*	*				170.5	134.5	122.7	-65	-71.5	-36.7	0	0	114.3	S927 L928 D929 Y948 A951	S927-Q946 CarbonylContact C-O 3.32Å; L928-Q946 PolarHBondContact O-N 2.86Å; D929-Q946 VanDerWaalsContact CG-NE2 3.31Å; D929-Q946 PolarHBondContact OD1-NE2 2.55Å; Q946-Y948 VanDerWaalsContact C-N 3.28Å; Q946-Y948 PolarHBondContact O-N 2.79Å; Q946-Y948 VanDerWaalsContact O-N 3.11Å; Q946-A951 VanDerWaalsContact OE1-N 3.12Å
947	P	32.5	Very low	33.6	Very low	107.25 Å²	107.25	125.8 Å²	125.8	70%	0.696	69%	0.687	S	S	*	*				-116	122	-117.5	39.4	-28.5	0	0	0	112.5	D929	D929-P947 VanDerWaalsContact OD2-C 3.25Å
948	Y	29.5	Very low	33.8	Very low	193 Å²	193	130.3 Å²	130.3	76%	0.757	69%	0.692	S	S	*	*			trans	-119.3	140.9	156.9	-103.7	-66.5	0	0	0	112.6	D929 Q946 S950 Y953	D929-Y948 PolarHBondContact OD2-N 3.13Å; Q946-Y948 VanDerWaalsContact C-N 3.28Å; Q946-Y948 PolarHBondContact O-N 2.79Å; Q946-Y948 VanDerWaalsContact O-N 3.11Å; Y948-S950 VanDerWaalsContact C-N 3.29Å; Y948-S950 PolarHBondContact O-N 3.32Å; Y948-S950 VanDerWaalsContact O-N 3.17Å; Y948-Y953 WeakPolarHBondContact CD2-O 3.22Å; Y948-Y953 VanDerWaalsContact CE2-O 3.28Å; Y948-Y953 WeakPolarHBondContact CE2-O 3.34Å
949	S	32.4	Very low	34	Very low	101.75 Å²	101.75	129.5 Å²	129.5	71%	0.712	69%	0.689	S	S	*	*				24.9	110.5	129.3	164.2	0	0	0	0	111.8
950	S	32.4	Very low	34.2	Very low	96.25 Å²	96.25	128.9 Å²	128.9	67%	0.673	69%	0.686	S	S	*	*				-32.3	142.8	97.4	78.4	0	0	0	0	113.3	Y948	Y948-S950 VanDerWaalsContact C-N 3.29Å; Y948-S950 PolarHBondContact O-N 3.32Å; Y948-S950 VanDerWaalsContact O-N 3.17Å
951	A	30.1	Very low	34.6	Very low	75.5 Å²	75.5	123.6 Å²	123.6	62%	0.624	68%	0.675	S	S	*	*			trans	109	122.1	147.2	0	0	0	0	0	114.2	Q946 Y953	Q946-A951 VanDerWaalsContact OE1-N 3.12Å; A951-Y953 PolarHBondContact O-N 2.76Å
952	V	27.9	Very low	34.5	Very low	104.5 Å²	104.5	121.7 Å²	121.7	63%	0.633	67%	0.665	S	S	*	*				39	131	130	-122.8	0	0	0	0	115
953	Y	37.5	Very low	34.3	Very low	168.25 Å²	168.25	120.1 Å²	120.1	66%	0.66	66%	0.661	S	S	*	*				-123.3	132.3	66.5	-82.1	-86.1	0	0	0	110.6	L456 D721 V722 Y948 A951 L955	L456-Y953 WeakPolarHBondContact CD1-O 3.15Å; D721-Y953 VanDerWaalsContact C-CZ 3.4Å; D721-Y953 PolarHBondContact O-OH 2.72Å; V722-Y953 VanDerWaalsContact CA-CD2 3.42Å; V722-Y953 VanDerWaalsContact N-CE2 3.32Å; V722-Y953 VanDerWaalsContact O-CD2 3.3Å; V722-Y953 WeakPolarHBondContact O-CD2 3.45Å; Y948-Y953 WeakPolarHBondContact CD2-O 3.22Å; Y948-Y953 VanDerWaalsContact CE2-O 3.28Å; Y948-Y953 WeakPolarHBondContact CE2-O 3.34Å; A951-Y953 PolarHBondContact O-N 2.76Å; Y953-L955 HydrophobicContact CD1-CD1 4.45Å; Y953-L955 PolarHBondContact O-N 3.05Å
954	S	38.6	Very low	34.7	Very low	70.75 Å²	70.75	119.4 Å²	119.4	50%	0.495	66%	0.656	S	S	.	*				54.9	121.7	110.7	-47.5	0	0	0	0	115	L456 Q458 E956	L456-S954 VanDerWaalsContact CG-C 3.42Å; L456-S954 VanDerWaalsContact CG-N 3.29Å; L456-S954 WeakPolarHBondContact CG-O 3.27Å; Q458-S954 PolarHBondContact N-OG 3.41Å; Q458-S954 WeakPolarHBondContact O-CB 3.22Å; Q458-S954 PolarHBondContact O-OG 3.34Å; S954-E956 VanDerWaalsContact C-N 3.28Å
955	L	34.3	Very low	34.7	Very low	120 Å²	120	118 Å²	118	63%	0.628	65%	0.65	S	S	*	*				145.8	124	81.8	-121.6	136.7	0	0	0	113.9	L456 L720 Y953 E957	L456-L955 WeakPolarHBondContact CB-O 3.37Å; L720-L955 HydrophobicContact CD2-CD1 3.99Å; L720-L955 HydrophobicContact CD2-CD2 3.86Å; L720-L955 HydrophobicContact CD2-CG 4.47Å; Y953-L955 HydrophobicContact CD1-CD1 4.45Å; Y953-L955 PolarHBondContact O-N 3.05Å; L955-E957 HydrophobicContact CD2-CB 4.24Å; L955-E957 VanDerWaalsContact CD2-CD 3.45Å; L955-E957 HydrophobicContact CD2-CG 3.91Å; L955-E957 WeakPolarHBondContact CD2-OE1 3.01Å; L955-E957 HydrophobicContact CG-CG 4.28Å
956	E	39.7	Very low	35.1	Very low	139.5 Å²	139.5	120.2 Å²	120.2	65%	0.652	65%	0.653	S	S	*	*			trans	11.8	134.4	133.2	-70.1	143.5	162.5	0	0	113.4	Q458 P459 S954 Q958	Q458-E956 WeakPolarHBondContact CA-OE1 3.4Å; P459-E956 WeakPolarHBondContact CA-OE1 3.47Å; P459-E956 VanDerWaalsContact N-OE1 3.1Å; S954-E956 VanDerWaalsContact C-N 3.28Å; E956-Q958 HydrophobicContact CB-CG 4.12Å; E956-Q958 PolarHBondContact O-N 2.91Å
957	E	37.1	Very low	35.2	Very low	152.75 Å²	152.75	117.9 Å²	117.9	71%	0.714	64%	0.644	S	S	*	*			trans	-5.4	111.9	151.1	-65.6	174.1	162.7	0	0	115	L955 Y959	L955-E957 HydrophobicContact CD2-CB 4.24Å; L955-E957 VanDerWaalsContact CD2-CD 3.45Å; L955-E957 HydrophobicContact CD2-CG 3.91Å; L955-E957 WeakPolarHBondContact CD2-OE1 3.01Å; L955-E957 HydrophobicContact CG-CG 4.28Å; E957-Y959 PolarHBondContact O-N 3.42Å
958	Q	36.8	Very low	35.6	Very low	156.5 Å²	156.5	121.1 Å²	121.1	73%	0.731	64%	0.643	S	S	*	*			trans	-123.1	122	133	-97.2	-178.3	-10.8	0	0	112.3	E956 L960	E956-Q958 HydrophobicContact CB-CG 4.12Å; E956-Q958 PolarHBondContact O-N 2.91Å; Q958-L960 VanDerWaalsContact C-N 3.31Å; Q958-L960 HydrophobicContact CB-CD1 4.45Å; Q958-L960 PolarHBondContact O-N 3.14Å
959	Y	35.6	Very low	35.9	Very low	165.5 Å²	165.5	118.1 Å²	118.1	65%	0.649	64%	0.638	S	S	*	*			trans	35	126.5	133.1	-92	-91	0	0	0	119	Y857 E957 G961	Y857-Y959 HydrophobicContact CE1-CD1 4.28Å; Y857-Y959 HydrophobicContact CE1-CG 4.22Å; Y857-Y959 VanDerWaalsContact CE2-O 3.31Å; Y857-Y959 WeakPolarHBondContact CE2-O 3.23Å; Y857-Y959 WeakPolarHBondContact OH-CB 3.42Å; Y857-Y959 PolarHBondContact OH-O 3.33Å; E957-Y959 PolarHBondContact O-N 3.42Å; Y959-G961 PolarHBondContact O-N 3.12Å; Y959-G961 VanDerWaalsContact O-N 3.12Å
960	L	38.2	Very low	36.1	Very low	132.5 Å²	132.5	121.4 Å²	121.4	69%	0.694	64%	0.64	S	S	*	*			trans	0.2	116.1	153	-128.2	89.7	0	0	0	115.6	Q958 L962	Q958-L960 VanDerWaalsContact C-N 3.31Å; Q958-L960 HydrophobicContact CB-CD1 4.45Å; Q958-L960 PolarHBondContact O-N 3.14Å; L960-L962 VanDerWaalsContact C-N 3.34Å; L960-L962 HydrophobicContact CD1-CD1 4.46Å; L960-L962 HydrophobicContact CD1-CG 4Å; L960-L962 HydrophobicContact CD2-CD1 4.32Å; L960-L962 HydrophobicContact CG-CD1 3.87Å; L960-L962 HydrophobicContact CG-CG 3.9Å; L960-L962 PolarHBondContact O-N 3.44Å
961	G	40.2	Very low	36.4	Very low	51.5 Å²	51.5	125 Å²	125	53%	0.531	64%	0.643	S	S	.	*			trans	-139.7	56.6	159.7	0	0	0	0	0	116.5	Y959 A963	Y959-G961 PolarHBondContact O-N 3.12Å; Y959-G961 VanDerWaalsContact O-N 3.12Å; G961-A963 PolarHBondContact O-N 3.08Å
962	L	35.5	Very low	36.7	Very low	115.5 Å²	115.5	125.8 Å²	125.8	61%	0.605	64%	0.637	S	S	*	*			trans	14.9	110.7	146.5	-64.4	175.8	0	0	0	116.5	V708 Y709 D723 L960 L964	V708-L962 HydrophobicContact CG1-CB 3.78Å; V708-L962 HydrophobicContact CG1-CD2 3.38Å; V708-L962 HydrophobicContact CG1-CG 4.17Å; Y709-L962 HydrophobicContact CD1-CB 3.76Å; Y709-L962 HydrophobicContact CD1-CD1 4.14Å; Y709-L962 HydrophobicContact CD1-CG 4.45Å; Y709-L962 HydrophobicContact CE1-CB 3.56Å; Y709-L962 HydrophobicContact CE1-CD1 4.27Å; D723-L962 VanDerWaalsContact OD2-CD1 3.24Å; D723-L962 WeakPolarHBondContact OD2-CD1 3.43Å; L960-L962 VanDerWaalsContact C-N 3.34Å; L960-L962 HydrophobicContact CD1-CD1 4.46Å; L960-L962 HydrophobicContact CD1-CG 4Å; L960-L962 HydrophobicContact CD2-CD1 4.32Å; L960-L962 HydrophobicContact CG-CD1 3.87Å; L960-L962 HydrophobicContact CG-CG 3.9Å; L960-L962 PolarHBondContact O-N 3.44Å; L962-L964 PolarHBondContact O-N 3.17Å
963	A	31.9	Very low	37.1	Very low	74.75 Å²	74.75	127.3 Å²	127.3	62%	0.618	64%	0.637	S	S	*	*			trans	-1.4	140.8	168.4	0	0	0	0	0	116.4	V708 G961	V708-A963 HydrophobicContact CG2-CB 3.91Å; V708-A963 WeakPolarHBondContact CG2-O 3.26Å; G961-A963 PolarHBondContact O-N 3.08Å
964	L	37.7	Very low	37	Very low	126.5 Å²	126.5	126.2 Å²	126.2	66%	0.662	64%	0.638	S	S	*	*			trans	-127.2	144	152.8	-70.4	178.6	0	0	0	111.9	V708 Y709 L962 V966	V708-L964 HydrophobicContact CB-CD2 4.4Å; V708-L964 VanDerWaalsContact CG2-CA 3.46Å; V708-L964 HydrophobicContact CG2-CB 4.26Å; V708-L964 HydrophobicContact CG2-CD2 3.94Å; V708-L964 HydrophobicContact CG2-CG 4.03Å; Y709-L964 HydrophobicContact CD2-CD1 3.73Å; Y709-L964 HydrophobicContact CD2-CD2 3.53Å; Y709-L964 HydrophobicContact CD2-CG 3.62Å; Y709-L964 HydrophobicContact CE2-CD1 3.53Å; Y709-L964 HydrophobicContact CE2-CD2 4.1Å; Y709-L964 HydrophobicContact CE2-CG 3.63Å; Y709-L964 HydrophobicContact CG-CD2 4.11Å; Y709-L964 HydrophobicContact CG-CG 4.45Å; L962-L964 PolarHBondContact O-N 3.17Å; L964-V966 HydrophobicContact CD2-CG2 4.45Å; L964-V966 PolarHBondContact O-N 3.47Å
965	D	35.8	Very low	36.8	Very low	133.75 Å²	133.75	129.7 Å²	129.7	72%	0.715	65%	0.647	S	S	*	*				-147.8	153.1	72.9	-86.1	-38.6	0	0	0	111.9	A707 D967	A707-D965 WeakPolarHBondContact CB-O 3.26Å; D965-D967 PolarHBondContact O-N 3.49Å
966	V	40.1	Very low	36.8	Very low	100.5 Å²	100.5	131.9 Å²	131.9	61%	0.609	65%	0.654	S	S	*	*			trans	83.8	108.9	170.7	169.7	0	0	0	0	113	V708 L964 R968 S1340	V708-V966 VanDerWaalsContact O-CA 3.25Å; V708-V966 WeakPolarHBondContact O-CA 3.22Å; V708-V966 PolarHBondContact O-N 2.57Å; L964-V966 HydrophobicContact CD2-CG2 4.45Å; L964-V966 PolarHBondContact O-N 3.47Å; V966-R968 VanDerWaalsContact C-N 3.29Å; V966-R968 PolarHBondContact O-N 2.85Å; V966-S1340 VanDerWaalsContact C-CB 3.45Å; V966-S1340 WeakPolarHBondContact O-CB 3.24Å; V966-S1340 PolarHBondContact O-OG 3.37Å
967	D	36	Very low	36.6	Very low	88.75 Å²	88.75	132.2 Å²	132.2	48%	0.475	66%	0.655	S	S	.	*			trans	-18.2	115.2	141.6	-103.4	-17.4	0	0	0	117	D965 I969 C1321 S1340 D1342 R1343	D965-D967 PolarHBondContact O-N 3.49Å; D967-I969 PolarHBondContact O-N 3.31Å; D967-C1321 HydrophobicContact CB-CB 3.59Å; D967-C1321 WeakPolarHBondContact O-CB 3.48Å; D967-S1340 VanDerWaalsContact CA-OG 3.32Å; D967-S1340 WeakPolarHBondContact CA-OG 3.32Å; D967-S1340 VanDerWaalsContact N-CB 3.34Å; D967-S1340 PolarHBondContact N-OG 3.4Å; D967-S1340 VanDerWaalsContact N-OG 3.12Å; D967-S1340 PolarHBondContact O-OG 3.49Å; D967-S1340 VanDerWaalsContact O-OG 3.06Å; D967-D1342 HydrophobicContact CB-CB 3.92Å; D967-D1342 WeakPolarHBondContact OD1-CA 3.45Å; D967-D1342 WeakPolarHBondContact OD1-CB 3.22Å; D967-D1342 PolarHBondContact OD1-N 3.38Å; D967-R1343 IonicContact OD2-NH2 2.79Å; D967-R1343 PolarHBondContact OD2-NH2 2.92Å; D967-R1343 VanDerWaalsContact OD2-NH2 3.13Å
968	R	40	Very low	36.4	Very low	174.75 Å²	174.75	131.4 Å²	131.4	66%	0.659	66%	0.656	S	S	*	*				68.3	86.6	127.3	-138.2	174.5	-168	-142.9	-2.5	118.2	V966 K970 S1325 D1339 S1340 L1341 D1342	V966-R968 VanDerWaalsContact C-N 3.29Å; V966-R968 PolarHBondContact O-N 2.85Å; R968-K970 PolarHBondContact O-N 3.4Å; R968-S1325 VanDerWaalsContact NH1-CB 3.3Å; R968-S1325 PolarHBondContact NH1-OG 3.08Å; R968-S1325 PolarHBondContact NH2-OG 2.63Å; R968-D1339 WeakPolarHBondContact CA-O 3.32Å; R968-D1339 PolarHBondContact N-O 3.4Å; R968-S1340 VanDerWaalsContact CA-O 3.32Å; R968-S1340 WeakPolarHBondContact CA-O 3.47Å; R968-S1340 WeakPolarHBondContact CB-O 3.42Å; R968-S1340 PolarHBondContact N-O 2.65Å; R968-S1340 PolarHBondContact N-OG 3.22Å; R968-S1340 VanDerWaalsContact N-OG 3.16Å; R968-L1341 HydrophobicContact CG-CD2 4.49Å; R968-D1342 HydrophobicContact CB-CB 4.16Å; R968-D1342 PolarHBondContact NH1-O 2.57Å
969	I	36.3	Very low	36.3	Very low	130 Å²	130	131.2 Å²	131.2	67%	0.667	66%	0.655	S	S	*	*			trans	-60.7	116.1	152.4	-55.4	178.2	0	0	0	112.8	D967 N1318	D967-I969 PolarHBondContact O-N 3.31Å; I969-N1318 WeakPolarHBondContact CD1-OD1 3.1Å
970	K	36.6	Very low	36.1	Very low	170.5 Å²	170.5	130.3 Å²	130.3	74%	0.741	66%	0.661	S	S	*	*			trans	-169.9	137.5	142.7	-90.2	168.6	-169.4	175.1	0	113.6	R968 D972	R968-K970 PolarHBondContact O-N 3.4Å; K970-D972 WeakPolarHBondContact CB-OD2 3.2Å; K970-D972 PolarHBondContact O-N 2.97Å
971	K	38.7	Very low	36.4	Very low	172 Å²	172	129 Å²	129	75%	0.748	66%	0.661	S	S	*	*			trans	72.2	136.5	133.7	-79.7	-174	165.5	-155.3	0	112.5
972	D	36.3	Very low	36.1	Very low	92.5 Å²	92.5	132.2 Å²	132.2	50%	0.495	67%	0.673	S	S	.	*			trans	-119.3	134	135.8	-47.9	-68	0	0	0	112.7	Y465 K970	Y465-D972 HydrophobicContact CD1-CB 3.87Å; Y465-D972 HydrophobicContact CD2-CB 4.29Å; Y465-D972 HydrophobicContact CE1-CB 4.14Å; Y465-D972 HydrophobicContact CG-CB 3.96Å; K970-D972 WeakPolarHBondContact CB-OD2 3.2Å; K970-D972 PolarHBondContact O-N 2.97Å
973	Q	36.7	Very low	36	Very low	135.5 Å²	135.5	132 Å²	132	63%	0.633	68%	0.679	S	S	*	*			trans	87.8	151.4	148.3	-70	170.3	-43.6	0	0	115
974	E	34.6	Very low	36.2	Very low	145.75 Å²	145.75	134 Å²	134	68%	0.681	69%	0.686	S	S	*	*			cis	-174	159	7.8	-116.9	158.1	-168.8	0	0	112	S1282	E974-S1282 WeakPolarHBondContact CA-OG 3.44Å; E974-S1282 PolarHBondContact N-OG 3.17Å; E974-S1282 WeakPolarHBondContact O-CB 3.26Å; E974-S1282 PolarHBondContact O-OG 2.86Å
975	E	34.8	Very low	36	Very low	144.5 Å²	144.5	138.8 Å²	138.8	68%	0.675	70%	0.696	S	S	*	*			trans	37.8	139.5	162.2	-68.4	-175.3	151.6	0	0	120.3	R1567 L1568 S1569	E975-R1567 VanDerWaalsContact OE1-C 3.26Å; E975-L1568 VanDerWaalsContact CD-N 3.28Å; E975-L1568 PolarHBondContact OE1-N 3.32Å; E975-L1568 WeakPolarHBondContact OE2-CA 3.48Å; E975-L1568 PolarHBondContact OE2-N 3.24Å; E975-S1569 PolarHBondContact OE2-N 2.98Å
976	E	34.3	Very low	35.8	Very low	165.75 Å²	165.75	139.3 Å²	139.3	78%	0.775	70%	0.697	S	S	*	*			trans	55.3	135.1	131	-120.8	-177.5	-174.2	0	0	115.6
977	E	35.6	Very low	35.4	Very low	147.25 Å²	147.25	139.2 Å²	139.2	69%	0.688	70%	0.701	S	S	*	*				175.2	125.6	86.2	-91.5	-171.3	151.9	0	0	114.2	Q979 L1568 S1569	E977-Q979 HydrophobicContact CB-CG 4.47Å; E977-Q979 PolarHBondContact OE1-NE2 3.38Å; E977-Q979 PolarHBondContact OE2-NE2 3.37Å; E977-L1568 WeakPolarHBondContact OE1-CD2 3.26Å; E977-L1568 WeakPolarHBondContact OE2-CD2 3.42Å; E977-S1569 WeakPolarHBondContact OE2-CB 3.22Å; E977-S1569 PolarHBondContact OE2-OG 3.33Å
978	D	32.4	Very low	35.6	Very low	134.25 Å²	134.25	145 Å²	145	72%	0.718	72%	0.716	S	S	*	*			trans	124	130.4	133.6	-135.2	3.4	0	0	0	113.3	R1570	D978-R1570 IonicContact OD2-CZ 2.73Å; D978-R1570 IonicContact OD2-NH1 3.08Å; D978-R1570 PolarHBondContact OD2-NH1 3.04Å; D978-R1570 IonicContact OD2-NH2 3.18Å
979	Q	35.6	Very low	35.3	Very low	153.25 Å²	153.25	143.7 Å²	143.7	72%	0.716	72%	0.718	S	S	*	*			trans	-130.2	106.1	171.4	-68.2	-61.5	-54.6	0	0	113.7	E977 P981	E977-Q979 HydrophobicContact CB-CG 4.47Å; E977-Q979 PolarHBondContact OE1-NE2 3.38Å; E977-Q979 PolarHBondContact OE2-NE2 3.37Å; Q979-P981 VanDerWaalsContact O-CD 3.25Å; Q979-P981 WeakPolarHBondContact O-CD 3.42Å
980	D	31.2	Very low	35	Very low	145.75 Å²	145.75	144.3 Å²	144.3	78%	0.779	72%	0.722	S	S	*	*			trans	4.8	146.4	140.3	-86.2	-41.4	0	0	0	115.7
981	P	43.3	Very low	35	Very low	105.75 Å²	105.75	140.9 Å²	140.9	69%	0.687	72%	0.715	S	S	*	*			trans	-111.7	161.7	174.4	40.2	-32.9	0	0	0	113.9	Q979 C983	Q979-P981 VanDerWaalsContact O-CD 3.25Å; Q979-P981 WeakPolarHBondContact O-CD 3.42Å; P981-C983 HydrophobicContact CB-CB 4.23Å; P981-C983 HydrophobicContact CG-CB 4.14Å; P981-C983 PolarHBondContact O-N 2.91Å
982	P	34.8	Very low	34.9	Very low	119.75 Å²	119.75	140 Å²	140	78%	0.778	71%	0.713	S	S	*	*			trans	-108.6	121	174.2	25.2	-12.4	0	0	0	113.7	P984	P982-P984 VanDerWaalsContact O-CD 3.26Å; P982-P984 WeakPolarHBondContact O-CD 3.34Å
983	C	33.5	Very low	34.8	Very low	111 Å²	111	140.5 Å²	140.5	75%	0.75	72%	0.719	S	S	*	*			trans	-60.6	119.9	164.5	-61.7	0	0	0	0	114.9	P981 L986	P981-C983 HydrophobicContact CB-CB 4.23Å; P981-C983 HydrophobicContact CG-CB 4.14Å; P981-C983 PolarHBondContact O-N 2.91Å; C983-L986 HydrophobicContact CB-CD1 4.4Å
984	P	35.2	Very low	34.8	Very low	117.25 Å²	117.25	139.7 Å²	139.7	76%	0.761	72%	0.723	S	S	*	*			trans	-105.8	128.6	149.5	20.4	-8.9	0	0	0	112.5	P982	P982-P984 VanDerWaalsContact O-CD 3.26Å; P982-P984 WeakPolarHBondContact O-CD 3.34Å
985	R	33.6	Very low	35	Very low	227.25 Å²	227.25	139.8 Å²	139.8	86%	0.858	72%	0.724	S	S	*	*			trans	-138.4	128.1	152.4	-68.5	-176.6	169.6	117.6	1.1	114.6
986	L	31.5	Very low	35.1	Very low	142.25 Å²	142.25	137.8 Å²	137.8	75%	0.745	72%	0.724	S	S	*	*				75	94.4	97	-65.2	-179.2	0	0	0	114.6	C983	C983-L986 HydrophobicContact CB-CD1 4.4Å
987	S	32.2	Very low	35.3	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	72%	0.721	S	S	*	*				69.1	131.3	103.4	62.2	0	0	0	0	116.3
988	R	39.9	Very low	35.3	Very low	209.25 Å²	209.25	134.1 Å²	134.1	79%	0.79	71%	0.712	S	S	*	*				155.9	124	102.6	-122.6	171.8	166.2	145.9	12.2	112.9
989	E	33.5	Very low	35.5	Very low	148.5 Å²	148.5	134.1 Å²	134.1	69%	0.694	71%	0.711	S	S	*	*				-162.2	113.3	121.7	-171.9	-175.2	-161.7	0	0	109.7
990	L	31.4	Very low	35.6	Very low	142.25 Å²	142.25	133.9 Å²	133.9	75%	0.745	71%	0.71	S	S	*	*			trans	-161.6	145.7	138.5	-115.9	86.6	0	0	0	111.2
991	V	36.8	Very low	35.7	Very low	98.5 Å²	98.5	133.5 Å²	133.5	60%	0.597	71%	0.708	S	S	*	*				44.3	135	81.5	-171.1	0	0	0	0	115.1
992	E	35.3	Very low	35.2	Very low	153 Å²	153	133.2 Å²	133.2	72%	0.715	71%	0.708	S	S	*	*			trans	82.7	123.5	161.4	-86.4	169.1	172.2	0	0	116.7
993	V	35.3	Very low	35.2	Very low	103.25 Å²	103.25	135 Å²	135	63%	0.626	71%	0.71	S	S	*	*				71.7	116.8	99.7	175.8	0	0	0	0	114	L1093	V993-L1093 HydrophobicContact CG1-CD1 4.27Å; V993-L1093 HydrophobicContact CG1-CD2 3.9Å
994	V	36.4	Very low	35.4	Very low	118.25 Å²	118.25	135.9 Å²	135.9	72%	0.717	71%	0.708	S	S	*	*				93.2	127.7	108	177.5	0	0	0	0	111.1	L1093	V994-L1093 HydrophobicContact CG2-CD2 3.53Å
995	E	38.1	Very low	35.6	Very low	148.5 Å²	148.5	138.8 Å²	138.8	69%	0.694	70%	0.704	S	S	*	*			trans	-121.1	164.7	151	-86.5	169.2	155.8	0	0	111.4	L636 E637	L636-E995 VanDerWaalsContact CA-OE2 3.23Å; L636-E995 WeakPolarHBondContact CA-OE2 3.01Å; L636-E995 WeakPolarHBondContact CB-OE2 3.23Å; L636-E995 PolarHBondContact N-OE2 2.97Å; E637-E995 PolarHBondContact N-OE1 2.81Å
996	P	38.1	Very low	35.5	Very low	102.75 Å²	102.75	133.1 Å²	133.1	67%	0.667	70%	0.698	S	S	*	*			trans	-124.2	161.1	153.6	24.8	-9	0	0	0	112.8
997	E	36.5	Very low	35.6	Very low	154.75 Å²	154.75	136 Å²	136	72%	0.723	70%	0.7	S	S	*	*			trans	75.1	129.8	132.7	-71.4	-163.2	177.6	0	0	117.3	S1096 E1575	E997-S1096 PolarHBondContact OE1-OG 3.34Å; E997-E1575 WeakPolarHBondContact CA-OE2 3.27Å; E997-E1575 PolarHBondContact N-OE2 2.88Å
998	V	36.5	Very low	35.6	Very low	81.25 Å²	81.25	135.8 Å²	135.8	49%	0.492	70%	0.699	S	S	.	*				-74.2	158.9	54.5	-104.8	0	0	0	0	113.8	L636 Q639 E1575 K1576	L636-V998 HydrophobicContact CD2-CG1 4.24Å; Q639-V998 VanDerWaalsContact CD-O 3.29Å; Q639-V998 WeakPolarHBondContact CG-O 3.27Å; Q639-V998 PolarHBondContact NE2-O 3.45Å; V998-E1575 HydrophobicContact CG1-CB 3.44Å; V998-E1575 VanDerWaalsContact CG1-CB 3.44Å; V998-E1575 WeakPolarHBondContact CG1-O 3.5Å; V998-E1575 PolarHBondContact N-OE2 3.35Å; V998-K1576 VanDerWaalsContact CB-NZ 3.28Å
999	L	37.1	Very low	35.3	Very low	134 Å²	134	131.3 Å²	131.3	70%	0.702	70%	0.695	S	S	*	*				134.6	137.2	122.4	-88.5	170.7	0	0	0	114.5	Q638	Q638-L999 PolarHBondContact OE1-O 2.59Å
1000	Q	37.8	Very low	35.1	Very low	147.75 Å²	147.75	129.3 Å²	129.3	69%	0.69	69%	0.694	S	S	*	*				-156.2	148.4	81.9	-139.6	165	30.1	0	0	111.3
1001	D	33.4	Very low	35	Very low	138.4 Å²	138.4	127.5 Å²	127.5	74%	0.74	69%	0.694	S	S	*	*			trans	-165.8	128.9	133.7	-89.8	-27.5	0	0	0	117	L1003	D1001-L1003 PolarHBondContact O-N 2.86Å
1002	S	33	Very low	34.5	Very low	98.6 Å²	98.6	127.4 Å²	127.4	69%	0.69	70%	0.697	S	S	*	*				90.8	90.9	127.8	56.2	0	0	0	0	117.2	D1004	S1002-D1004 PolarHBondContact O-N 2.89Å
1003	L	34.6	Very low	34.1	Very low	157.4 Å²	157.4	125.1 Å²	125.1	82%	0.824	70%	0.697	S	S	*	*			trans	8.9	105.8	136.3	-67.6	173.1	0	0	0	117.1	D1001 R1005	D1001-L1003 PolarHBondContact O-N 2.86Å; L1003-R1005 PolarHBondContact O-N 3.35Å
1004	D	37.3	Very low	33.8	Very low	130 Å²	130	126.3 Å²	126.3	70%	0.695	70%	0.699	S	S	*	*			trans	-131.2	125.3	139.1	-123.4	-11.9	0	0	0	113.8	S1002	S1002-D1004 PolarHBondContact O-N 2.89Å
1005	R	40.5	Very low	33.7	Very low	179.6 Å²	179.6	128.5 Å²	128.5	68%	0.678	70%	0.702	S	S	*	*			trans	49.9	122	153.3	-109.8	164.1	-150.4	-174.5	-1.1	119.1	L1003 Y1007	L1003-R1005 PolarHBondContact O-N 3.35Å; R1005-Y1007 HydrophobicContact CB-CD2 4.44Å; R1005-Y1007 HydrophobicContact CG-CD2 4.26Å; R1005-Y1007 HydrophobicContact CG-CE2 4.08Å; R1005-Y1007 WeakPolarHBondContact CG-O 3.24Å; R1005-Y1007 PolarHBondContact NH1-OH 2.8Å
1006	C	30.6	Very low	33.4	Very low	107.8 Å²	107.8	128.4 Å²	128.4	73%	0.728	70%	0.701	S	S	*	*				-120.9	129.4	128.7	-76.9	0	0	0	0	112.1
1007	Y	34.3	Very low	33.2	Very low	201.8 Å²	201.8	128.3 Å²	128.3	79%	0.791	70%	0.7	S	S	*	*			trans	179.7	120.3	162.1	-68	-68.2	0	0	0	113	R1005 T1009	R1005-Y1007 HydrophobicContact CB-CD2 4.44Å; R1005-Y1007 HydrophobicContact CG-CD2 4.26Å; R1005-Y1007 HydrophobicContact CG-CE2 4.08Å; R1005-Y1007 WeakPolarHBondContact CG-O 3.24Å; R1005-Y1007 PolarHBondContact NH1-OH 2.8Å; Y1007-T1009 PolarHBondContact O-N 2.91Å
1008	S	32.3	Very low	32.9	Very low	96.2 Å²	96.2	127.5 Å²	127.5	67%	0.673	70%	0.701	S	S	*	*				45.9	109.4	105.9	-55.6	0	0	0	0	115.6
1009	T	32.1	Very low	32.5	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	71%	0.712	S	S	*	*				-6.1	136	110.5	-13.1	0	0	0	0	116.3	Y1007 S1011	Y1007-T1009 PolarHBondContact O-N 2.91Å; T1009-S1011 PolarHBondContact O-N 3.31Å
1010	P	29.6	Very low	32.1	Very low	105.4 Å²	105.4	127.5 Å²	127.5	68%	0.684	72%	0.715	S	S	*	*			trans	-114.4	153.3	153	34.7	-23.7	0	0	0	112.9
1011	S	28.6	Very low	31.8	Very low	106.2 Å²	106.2	127.9 Å²	127.9	74%	0.743	72%	0.717	S	S	*	*			trans	99.9	147.9	153.4	62.7	0	0	0	0	115.5	T1009	T1009-S1011 PolarHBondContact O-N 3.31Å
1012	S	26.6	Very low	31.8	Very low	95.4 Å²	95.4	126.2 Å²	126.2	67%	0.667	71%	0.713	S	S	*	*			cis	-178.3	140.8	-2.6	57.2	0	0	0	0	111.2
1013	C	27.9	Very low	31.6	Very low	105.2 Å²	105.2	132.6 Å²	132.6	71%	0.711	72%	0.724	S	S	*	*			trans	167.8	136.2	133.2	16.5	0	0	0	0	114.3
1014	L	29.3	Very low	31.6	Very low	127 Å²	127	127.9 Å²	127.9	67%	0.665	71%	0.714	S	S	*	*				88.5	150.3	123.3	-76.6	167.6	0	0	0	116.9	Y1028	L1014-Y1028 VanDerWaalsContact CD1-CB 3.48Å; L1014-Y1028 HydrophobicContact CD1-CD1 4.37Å; L1014-Y1028 HydrophobicContact CD1-CD2 3.26Å; L1014-Y1028 HydrophobicContact CD1-CE2 4Å; L1014-Y1028 HydrophobicContact CD1-CG 3.47Å; L1014-Y1028 VanDerWaalsContact CD1-CG 3.47Å; L1014-Y1028 HydrophobicContact CD2-CD1 3.81Å; L1014-Y1028 HydrophobicContact CD2-CD2 4.25Å; L1014-Y1028 HydrophobicContact CD2-CG 3.53Å; L1014-Y1028 HydrophobicContact CG-CD2 4.33Å; L1014-Y1028 HydrophobicContact CG-CG 4.09Å
1015	E	32.8	Very low	31.2	Very low	165.6 Å²	165.6	126.4 Å²	126.4	77%	0.774	71%	0.713	S	S	*	*				176.3	128.1	106.7	-110.4	170.7	177.1	0	0	116.5	Y1028	E1015-Y1028 VanDerWaalsContact CD-CZ 3.4Å; E1015-Y1028 HydrophobicContact CG-CD1 4.17Å; E1015-Y1028 HydrophobicContact CG-CE1 3.68Å; E1015-Y1028 HydrophobicContact CG-CE2 4.23Å; E1015-Y1028 WeakPolarHBondContact OE1-CE2 3.3Å; E1015-Y1028 PolarHBondContact OE1-OH 3.32Å; E1015-Y1028 VanDerWaalsContact OE1-OH 3.09Å; E1015-Y1028 PolarHBondContact OE2-OH 2.69Å
1016	Q	32.9	Very low	30.9	Very low	146.8 Å²	146.8	122.3 Å²	122.3	69%	0.686	71%	0.712	S	S	*	*			trans	-76.2	166.9	159.3	-69.3	-176.3	-53.9	0	0	112.4	Y1028 A1029 L1030	Q1016-Y1028 HydrophobicContact CG-CD1 4.17Å; Q1016-A1029 VanDerWaalsContact CG-O 3.22Å; Q1016-A1029 WeakPolarHBondContact CG-O 3.27Å; Q1016-L1030 HydrophobicContact CB-CD1 3.95Å; Q1016-L1030 HydrophobicContact CB-CG 4.46Å; Q1016-L1030 HydrophobicContact CG-CB 4.48Å; Q1016-L1030 HydrophobicContact CG-CD1 3.81Å; Q1016-L1030 HydrophobicContact CG-CG 3.77Å; Q1016-L1030 VanDerWaalsContact NE2-CG 3.29Å
1017	P	34.7	Very low	30.8	Very low	99.2 Å²	99.2	124.5 Å²	124.5	64%	0.644	71%	0.71	S	S	*	*			cis	-139.8	-166.8	30.9	33.2	-11	0	0	0	114.1
1018	D	28.6	Very low	30.9	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	71%	0.705	S	S	*	*			trans	84.6	130	138.5	-77.6	-17.7	0	0	0	118.9
1019	S	28.1	Very low	31.1	Very low	101.6 Å²	101.6	122.1 Å²	122.1	71%	0.71	70%	0.701	S	S	*	*				119.7	125.3	76.3	74	0	0	0	0	118.2
1020	C	30	Very low	31.4	Very low	113.4 Å²	113.4	122.8 Å²	122.8	77%	0.766	70%	0.699	S	S	*	*			trans	44.9	103.8	149.5	-61.9	0	0	0	0	118.7
1021	Q	30.7	Very low	31.9	Very low	156.6 Å²	156.6	124.3 Å²	124.3	73%	0.732	70%	0.697	S	S	*	*				-62.9	152.6	110.9	-73.5	-108.7	-24.6	0	0	111.9	S1025	Q1021-S1025 PolarHBondContact NE2-OG 3.21Å
1022	P	33.7	Very low	32.4	Very low	102.6 Å²	102.6	125.4 Å²	125.4	67%	0.666	69%	0.69	S	S	*	*				-130.8	158.5	126.2	38.3	-26	0	0	0	115.5
1023	Y	28.8	Very low	32.9	Very low	232.4 Å²	232.4	127.5 Å²	127.5	91%	0.911	69%	0.687	S	S	*	*			trans	89.5	129.7	133.7	-109.8	-107.9	0	0	0	115.9
1024	G	33.5	Very low	33.3	Very low	59.2 Å²	59.2	128.5 Å²	128.5	61%	0.61	68%	0.682	S	S	*	*			trans	162.7	123.7	145.2	0	0	0	0	0	116.7	Q1260	G1024-Q1260 PolarHBondContact O-NE2 3.06Å
1025	S	29.6	Very low	33.6	Very low	98.8 Å²	98.8	128.4 Å²	128.4	69%	0.691	69%	0.686	S	S	*	*			trans	65.4	122.2	143.3	65.3	0	0	0	0	117.6	Q1021 Q1260	Q1021-S1025 PolarHBondContact NE2-OG 3.21Å; S1025-Q1260 WeakPolarHBondContact O-CG 3.11Å; S1025-Q1260 PolarHBondContact O-NE2 3.24Å; S1025-Q1260 PolarHBondContact OG-NE2 2.78Å
1026	S	34	Very low	33.7	Very low	92.4 Å²	92.4	123.1 Å²	123.1	65%	0.646	68%	0.676	S	S	*	*				137.5	126.4	113.7	58.7	0	0	0	0	113.3	Q1260	S1026-Q1260 WeakPolarHBondContact OG-CA 3.23Å; S1026-Q1260 WeakPolarHBondContact OG-CG 3.47Å; S1026-Q1260 PolarHBondContact OG-N 2.83Å
1027	F	29.3	Very low	33.7	Very low	155.4 Å²	155.4	124.8 Å²	124.8	68%	0.682	68%	0.682	S	S	*	*				51.4	132.2	95.3	-87.8	-66.5	0	0	0	116.3	L1258 E1259	F1027-L1258 WeakPolarHBondContact O-CA 3.33Å; F1027-L1258 PolarHBondContact O-N 3.43Å; F1027-E1259 WeakPolarHBondContact CB-O 2.85Å; F1027-E1259 WeakPolarHBondContact CD2-O 2.95Å
1028	Y	35.5	Very low	33.8	Very low	177 Å²	177	124.7 Å²	124.7	69%	0.694	68%	0.683	S	S	*	*				151.8	149.9	118.6	-84.5	-58.4	0	0	0	114.7	L1014 E1015 Q1016 S1256 C1257 L1258	L1014-Y1028 VanDerWaalsContact CD1-CB 3.48Å; L1014-Y1028 HydrophobicContact CD1-CD1 4.37Å; L1014-Y1028 HydrophobicContact CD1-CD2 3.26Å; L1014-Y1028 HydrophobicContact CD1-CE2 4Å; L1014-Y1028 HydrophobicContact CD1-CG 3.47Å; L1014-Y1028 VanDerWaalsContact CD1-CG 3.47Å; L1014-Y1028 HydrophobicContact CD2-CD1 3.81Å; L1014-Y1028 HydrophobicContact CD2-CD2 4.25Å; L1014-Y1028 HydrophobicContact CD2-CG 3.53Å; L1014-Y1028 HydrophobicContact CG-CD2 4.33Å; L1014-Y1028 HydrophobicContact CG-CG 4.09Å; E1015-Y1028 VanDerWaalsContact CD-CZ 3.4Å; E1015-Y1028 HydrophobicContact CG-CD1 4.17Å; E1015-Y1028 HydrophobicContact CG-CE1 3.68Å; E1015-Y1028 HydrophobicContact CG-CE2 4.23Å; E1015-Y1028 WeakPolarHBondContact OE1-CE2 3.3Å; E1015-Y1028 PolarHBondContact OE1-OH 3.32Å; E1015-Y1028 VanDerWaalsContact OE1-OH 3.09Å; E1015-Y1028 PolarHBondContact OE2-OH 2.69Å; Q1016-Y1028 HydrophobicContact CG-CD1 4.17Å; Y1028-S1256 CarbonylContact C-O 3.45Å; Y1028-S1256 CarbonylContact O-C 3.51Å; Y1028-C1257 WeakPolarHBondContact CB-O 3.3Å; Y1028-C1257 CarbonylContact O-C 3.46Å; Y1028-C1257 VanDerWaalsContact O-C 3.31Å; Y1028-C1257 PolarHBondContact O-N 2.8Å; Y1028-L1258 VanDerWaalsContact CD2-O 3.26Å; Y1028-L1258 WeakPolarHBondContact CD2-O 3.4Å; Y1028-L1258 PolarHBondContact O-N 3.28Å
1029	A	36	Very low	34.2	Very low	70.4 Å²	70.4	124.7 Å²	124.7	58%	0.582	68%	0.682	S	S	*	*			trans	-161	149.4	-143.9	0	0	0	0	0	116.4	Q1016 S1255 S1256 E1559	Q1016-A1029 VanDerWaalsContact CG-O 3.22Å; Q1016-A1029 WeakPolarHBondContact CG-O 3.27Å; A1029-S1255 CarbonylContact C-O 3.59Å; A1029-S1256 PolarHBondContact N-O 3.23Å; A1029-E1559 WeakPolarHBondContact CA-OE2 3.38Å; A1029-E1559 WeakPolarHBondContact CB-OE2 3.37Å
1030	L	40.4	Very low	34.8	Very low	129.2 Å²	129.2	125.9 Å²	125.9	68%	0.676	68%	0.681	S	S	*	*			trans	83.2	134.6	153.5	-57.5	-179.9	0	0	0	119	Q1016 T1253 S1255 E1559	Q1016-L1030 HydrophobicContact CB-CD1 3.95Å; Q1016-L1030 HydrophobicContact CB-CG 4.46Å; Q1016-L1030 HydrophobicContact CG-CB 4.48Å; Q1016-L1030 HydrophobicContact CG-CD1 3.81Å; Q1016-L1030 HydrophobicContact CG-CG 3.77Å; Q1016-L1030 VanDerWaalsContact NE2-CG 3.29Å; L1030-T1253 HydrophobicContact CB-CG2 3.69Å; L1030-T1253 WeakPolarHBondContact CB-O 3.29Å; L1030-T1253 WeakPolarHBondContact CD2-O 3.35Å; L1030-S1255 VanDerWaalsContact C-N 3.32Å; L1030-S1255 VanDerWaalsContact N-C 3.3Å; L1030-S1255 PolarHBondContact N-O 3.49Å; L1030-S1255 VanDerWaalsContact N-O 3.07Å; L1030-E1559 PolarHBondContact N-OE2 3.08Å
1031	E	39.7	Very low	35.3	Very low	136 Å²	136	126.5 Å²	126.5	64%	0.636	68%	0.68	S	S	*	*			trans	-140.2	140.1	138.5	-72.9	-161.8	129.5	0	0	115.3	K1033 T1253 P1254 E1559	E1031-K1033 IonicContact OE2-NZ 2.82Å; E1031-K1033 PolarHBondContact OE2-NZ 3.48Å; E1031-T1253 VanDerWaalsContact CA-CG2 3.47Å; E1031-T1253 VanDerWaalsContact N-C 3.32Å; E1031-T1253 VanDerWaalsContact OE1-CG2 3.22Å; E1031-T1253 WeakPolarHBondContact OE1-CG2 3.28Å; E1031-P1254 VanDerWaalsContact C-CD 3.41Å; E1031-P1254 VanDerWaalsContact N-C 3.3Å; E1031-P1254 VanDerWaalsContact N-N 3.14Å; E1031-P1254 CarbonylContact O-C 3.14Å; E1031-P1254 WeakPolarHBondContact O-CD 3.32Å; E1031-E1559 HydrophobicContact CG-CB 4.5Å; E1031-E1559 PolarHBondContact OE1-N 3.27Å
1032	E	38	Very low	35.8	Very low	129.4 Å²	129.4	122 Å²	122	61%	0.605	68%	0.676	S	S	*	*				167	145.4	68.8	-141.3	-153.3	177.4	0	0	115.7	R594 S1252 T1253	R594-E1032 PolarHBondContact N-O 3.42Å; E1032-S1252 CarbonylContact C-O 3.22Å; E1032-S1252 VanDerWaalsContact C-O 3.3Å; E1032-S1252 VanDerWaalsContact CA-O 3.28Å; E1032-S1252 WeakPolarHBondContact CA-O 3.25Å; E1032-T1253 HydrophobicContact CG-CG2 4.14Å
1033	K	38.3	Very low	36.1	Very low	139.4 Å²	139.4	125.4 Å²	125.4	61%	0.606	68%	0.683	S	S	*	*			trans	83.9	122.7	147.5	-82.6	176.3	-171	115.5	0	119.6	R594 E1031 S1252	R594-K1033 VanDerWaalsContact N-C 3.28Å; E1031-K1033 IonicContact OE2-NZ 2.82Å; E1031-K1033 PolarHBondContact OE2-NZ 3.48Å; K1033-S1252 VanDerWaalsContact C-CB 3.46Å; K1033-S1252 PolarHBondContact N-O 3.44Å; K1033-S1252 WeakPolarHBondContact O-CB 3.48Å
1034	H	35.7	Very low	36.8	Very low	127.6 Å²	127.6	120.8 Å²	120.8	59%	0.591	67%	0.673	S	S	*	*			trans	28.8	147.2	141.4	-74.5	-31.4	0	0	0	118.9	L592 S593 R594 E595 S1252	L592-H1034 VanDerWaalsContact C-ND1 3.35Å; L592-H1034 WeakPolarHBondContact CA-ND1 3.39Å; L592-H1034 WeakPolarHBondContact CB-CE1 3.39Å; L592-H1034 WeakPolarHBondContact CB-ND1 3.23Å; L592-H1034 WeakPolarHBondContact CD2-ND1 3.29Å; S593-H1034 VanDerWaalsContact CA-CB 3.48Å; S593-H1034 WeakPolarHBondContact CA-CD2 3.35Å; S593-H1034 WeakPolarHBondContact CA-CE1 3.49Å; S593-H1034 WeakPolarHBondContact CA-ND1 3.43Å; S593-H1034 WeakPolarHBondContact CA-NE2 3.42Å; S593-H1034 WeakPolarHBondContact CB-CD2 3.48Å; S593-H1034 WeakPolarHBondContact CB-CE1 3.2Å; S593-H1034 WeakPolarHBondContact CB-ND1 2.93Å; S593-H1034 WeakPolarHBondContact CB-NE2 3.39Å; S593-H1034 PolarHBondContact N-CE1 2.66Å; S593-H1034 PolarHBondContact N-ND1 2.51Å; S593-H1034 PolarHBondContact N-NE2 3.26Å; S593-H1034 PolarHBondContact O-CD2 2.65Å; S593-H1034 PolarHBondContact O-NE2 3.33Å; S593-H1034 PolarHBondContact OG-CD2 3.31Å; S593-H1034 PolarHBondContact OG-CE1 3.41Å; S593-H1034 PolarHBondContact OG-ND1 2.76Å; S593-H1034 PolarHBondContact OG-NE2 2.95Å; R594-H1034 PolarHBondContact N-CD2 2.65Å; R594-H1034 VanDerWaalsContact O-CB 3.31Å; R594-H1034 WeakPolarHBondContact O-CB 3.41Å; R594-H1034 PolarHBondContact O-CD2 2.67Å; R594-H1034 PolarHBondContact O-N 3.21Å; R594-H1034 VanDerWaalsContact O-N 3.09Å; E595-H1034 PolarHBondContact N-CD2 3.34Å; H1034-S1252 PolarHBondContact CE1-OG 3.39Å; H1034-S1252 VanDerWaalsContact CE1-OG 3.23Å; H1034-S1252 VanDerWaalsContact CG-CB 3.48Å; H1034-S1252 VanDerWaalsContact ND1-CB 3.25Å; H1034-S1252 WeakPolarHBondContact ND1-CB 3.22Å; H1034-S1252 PolarHBondContact ND1-OG 2.73Å
1035	V	35.3	Very low	37.1	Very low	123.6 Å²	123.6	124.2 Å²	124.2	75%	0.749	67%	0.673	S	S	*	*				-157.5	133	125.1	164.9	0	0	0	0	113.2	F1037	V1035-F1037 HydrophobicContact CB-CZ 4.39Å; V1035-F1037 HydrophobicContact CG1-CD2 4.17Å; V1035-F1037 HydrophobicContact CG1-CE1 3.92Å; V1035-F1037 HydrophobicContact CG1-CE2 3.67Å; V1035-F1037 HydrophobicContact CG1-CZ 3.35Å; V1035-F1037 HydrophobicContact CG2-CD1 4.24Å; V1035-F1037 HydrophobicContact CG2-CE1 3.74Å; V1035-F1037 HydrophobicContact CG2-CZ 4.09Å
1036	G	35	Very low	37.6	Very low	55.2 Å²	55.2	127.3 Å²	127.3	57%	0.569	67%	0.674	S	S	*	*			trans	148.1	138.7	136.2	0	0	0	0	0	114.7
1037	F	33.8	Very low	38	Very low	183.4 Å²	183.4	131.3 Å²	131.3	80%	0.804	68%	0.68	S	S	*	*				163.3	150.5	75.2	-80.2	-74.5	0	0	0	113.1	V1035	V1035-F1037 HydrophobicContact CB-CZ 4.39Å; V1035-F1037 HydrophobicContact CG1-CD2 4.17Å; V1035-F1037 HydrophobicContact CG1-CE1 3.92Å; V1035-F1037 HydrophobicContact CG1-CE2 3.67Å; V1035-F1037 HydrophobicContact CG1-CZ 3.35Å; V1035-F1037 HydrophobicContact CG2-CD1 4.24Å; V1035-F1037 HydrophobicContact CG2-CE1 3.74Å; V1035-F1037 HydrophobicContact CG2-CZ 4.09Å
1038	S	36.5	Very low	38.3	Very low	96.6 Å²	96.6	127.3 Å²	127.3	68%	0.676	68%	0.682	S	S	*	*			trans	105	136.7	165.8	-54.1	0	0	0	0	115.9
1039	L	37.2	Very low	38.4	Very low	137.6 Å²	137.6	128.5 Å²	128.5	72%	0.72	69%	0.691	S	S	*	*				157.4	149.9	127.2	-88.1	175.7	0	0	0	115	L596 L597 V1041 R1551	L596-L1039 HydrophobicContact CD2-CD1 4.01Å; L596-L1039 HydrophobicContact CD2-CD2 3.57Å; L596-L1039 HydrophobicContact CD2-CG 3.73Å; L597-L1039 HydrophobicContact CD1-CD1 3.6Å; L597-L1039 HydrophobicContact CD1-CG 4.06Å; L1039-V1041 HydrophobicContact CD2-CG2 4.13Å; L1039-R1551 PolarHBondContact O-NH1 2.98Å
1040	D	39.2	Very low	38.5	Very low	127.8 Å²	127.8	128.8 Å²	128.8	68%	0.683	70%	0.701	S	S	*	*				171.4	144.5	113.1	-131.6	-2.9	0	0	0	116.9	R1551	D1040-R1551 PolarHBondContact O-NH1 2.83Å; D1040-R1551 PolarHBondContact O-NH2 2.93Å
1041	V	41.5	Very low	38.6	Very low	125.2 Å²	125.2	131.2 Å²	131.2	76%	0.759	71%	0.706	S	S	*	*			trans	86.3	114.3	144.3	-175.6	0	0	0	0	117.4	L1039 R1550 R1551	L1039-V1041 HydrophobicContact CD2-CG2 4.13Å; V1041-R1550 PolarHBondContact O-NH1 2.99Å; V1041-R1550 PolarHBondContact O-NH2 2.78Å; V1041-R1551 PolarHBondContact O-NH2 2.74Å
1042	G	40.1	Very low	38.5	Very low	62.4 Å²	62.4	133.6 Å²	133.6	64%	0.643	72%	0.715	S	S	*	*			trans	113.6	128.1	139.3	0	0	0	0	0	117.9	R1550	G1042-R1550 PolarHBondContact O-NH1 2.56Å
1043	E	41.2	Very low	38.4	Very low	173.8 Å²	173.8	137.2 Å²	137.2	81%	0.812	72%	0.723	S	S	*	*			trans	-127.9	148.1	-177.3	-75	-164.6	135.8	0	0	113.5
1044	I	43.1	Very low	38.4	Very low	136.6 Å²	136.6	142 Å²	142	70%	0.701	74%	0.737	S	S	*	*			trans	41.4	128.1	131.3	-15.6	173.9	0	0	0	117.1
1045	E	39.5	Very low	38.5	Very low	130.6 Å²	130.6	139.4 Å²	139.4	61%	0.61	75%	0.745	S	S	*	*				153.7	145.6	92.6	-105.2	-160.6	140.6	0	0	119	K1047	E1045-K1047 VanDerWaalsContact OE1-CE 3.23Å; E1045-K1047 WeakPolarHBondContact OE1-CE 3.28Å; E1045-K1047 IonicContact OE1-NZ 3.09Å; E1045-K1047 PolarHBondContact OE1-NZ 2.84Å; E1045-K1047 IonicContact OE2-NZ 3.35Å; E1045-K1047 PolarHBondContact OE2-NZ 3.27Å
1046	K	40.6	Very low	38.8	Very low	164.2 Å²	164.2	144.6 Å²	144.6	71%	0.714	75%	0.751	S	S	*	*			trans	179.3	122.1	154.5	-75.4	148.3	-176.5	142.3	0	116.1
1047	K	41.2	Very low	38.9	Very low	175 Å²	175	153.1 Å²	153.1	76%	0.761	77%	0.766	S	S	*	*			trans	-117.3	138.2	147.6	-75.3	163.4	-175.8	154.4	0	114.1	E1045	E1045-K1047 VanDerWaalsContact OE1-CE 3.23Å; E1045-K1047 WeakPolarHBondContact OE1-CE 3.28Å; E1045-K1047 IonicContact OE1-NZ 3.09Å; E1045-K1047 PolarHBondContact OE1-NZ 2.84Å; E1045-K1047 IonicContact OE2-NZ 3.35Å; E1045-K1047 PolarHBondContact OE2-NZ 3.27Å
1048	G	37.5	Very low	39.2	Very low	71.6 Å²	71.6	149.3 Å²	149.3	74%	0.738	76%	0.762	S	S	*	*				152.8	151.1	94.4	0	0	0	0	0	116.5
1049	K	37.2	Very low	39.4	Very low	202.8 Å²	202.8	153.8 Å²	153.8	88%	0.882	77%	0.769	S	S	*	*			trans	52.4	130.8	155.4	-58.6	177.4	-178.5	175	0	115.4
1050	G	38.2	Very low	39.3	Very low	76.8 Å²	76.8	155.8 Å²	155.8	79%	0.792	77%	0.772	S	S	*	*				148.9	111.5	128.4	0	0	0	0	0	114.4
1051	K	41.4	Very low	39.2	Very low	179.8 Å²	179.8	156.1 Å²	156.1	78%	0.782	77%	0.77	S	S	*	*			trans	-134.8	148	-178	-90.9	171.2	-179.6	176.9	0	110.1	G1299 R1300	K1051-G1299 PolarHBondContact NZ-O 2.73Å; K1051-R1300 PolarHBondContact NZ-O 2.74Å
1052	K	37	Very low	38.9	Very low	186.8 Å²	186.8	159.4 Å²	159.4	81%	0.812	77%	0.769	S	S	*	*			trans	102.9	123.7	143.1	-80.7	-178.7	179.3	178.8	0	116.4
1053	R	36.6	Very low	38.8	Very low	205.2 Å²	205.2	166.8 Å²	166.8	77%	0.774	78%	0.777	S	S	*	*			trans	75.6	133.1	147.9	-65.1	179.2	169.5	176	-4.7	118.7
1054	R	38.5	Very low	38.5	Very low	238.6 Å²	238.6	168 Å²	168	90%	0.9	77%	0.774	S	S	*	*				-176.8	136.6	81.9	-87.7	173.9	178.4	-175.9	-1.2	111.7
1055	G	38.2	Very low	38.2	Very low	73.6 Å²	73.6	164.1 Å²	164.1	76%	0.759	77%	0.767	S	S	*	*			trans	176.5	76.5	173	0	0	0	0	0	115.7
1056	R	41.1	Very low	38.2	Very low	232.4 Å²	232.4	167.1 Å²	167.1	88%	0.877	77%	0.773	S	S	*	*			trans	114.9	130.4	156.1	-75.3	179.5	170.7	-163.6	-3.9	113.6
1057	R	38	Very low	38	Very low	233.8 Å²	233.8	167 Å²	167	88%	0.882	77%	0.773	S	S	*	*			trans	-136.4	124.4	155.7	-86.2	178	177.5	-175.6	-1.3	111.4
1058	S	39.8	Very low	37.8	Very low	103.8 Å²	103.8	165.2 Å²	165.2	73%	0.726	77%	0.767	S	S	*	*			trans	-148	140.6	150.6	58.6	0	0	0	0	110.7	K1060	S1058-K1060 PolarHBondContact O-N 2.71Å
1059	K	39.5	Very low	37.7	Very low	190.4 Å²	190.4	165 Å²	165	83%	0.828	77%	0.765	S	S	*	*				63.7	101	73.2	-96.9	-177.8	176.5	-175.1	0	114.8	E1061	K1059-E1061 IonicContact NZ-OE2 2.64Å; K1059-E1061 PolarHBondContact NZ-OE2 3.3Å; K1059-E1061 PolarHBondContact O-N 3.14Å
1060	K	36.6	Very low	37.9	Very low	179.6 Å²	179.6	162.7 Å²	162.7	78%	0.781	76%	0.758	S	S	*	*				-152.2	135	124.3	-108	178.4	177.7	-172.8	0	110.8	S1058	S1058-K1060 PolarHBondContact O-N 2.71Å
1061	E	36.2	Very low	37.7	Very low	134.4 Å²	134.4	166.3 Å²	166.3	63%	0.628	75%	0.754	S	S	*	*				123.2	125.2	60.1	-148.5	-173.9	137.4	0	0	114.9	K1059	K1059-E1061 IonicContact NZ-OE2 2.64Å; K1059-E1061 PolarHBondContact NZ-OE2 3.3Å; K1059-E1061 PolarHBondContact O-N 3.14Å
1062	R	35.7	Very low	37.5	Very low	196 Å²	196	163 Å²	163	74%	0.74	75%	0.745	S	S	*	*			trans	127.2	126.2	143.9	-77.2	177.2	135.4	166.2	-3.8	115.9	Y1192	R1062-Y1192 PolarHBondContact NH2-OH 3.27Å
1063	R	37.1	Very low	37.5	Very low	217.8 Å²	217.8	160.4 Å²	160.4	82%	0.822	74%	0.735	S	S	*	*				108.3	136.5	112.2	-76	177.6	177.6	-175.3	-3.8	113
1064	R	36.3	Very low	37.4	Very low	198.6 Å²	198.6	156.4 Å²	156.4	75%	0.749	73%	0.729	S	S	*	*			cis	116.5	144.4	21.6	-103.6	176.3	177.7	-166.9	2.3	113.3	P1116 Y1117 Y1192	R1064-P1116 PolarHBondContact NH1-O 3.17Å; R1064-P1116 PolarHBondContact NH2-O 3.25Å; R1064-Y1117 PolarHBondContact NH1-O 3.46Å; R1064-Y1192 HydrophobicContact CG-CE1 4.45Å
1065	G	36.8	Very low	37.5	Very low	53.6 Å²	53.6	150 Å²	150	55%	0.553	72%	0.718	S	S	*	*			cis	133.3	159.8	23.4	0	0	0	0	0	112.8	Q1190	G1065-Q1190 PolarHBondContact O-NE2 3Å
1066	R	39	Very low	37.5	Very low	194 Å²	194	151.6 Å²	151.6	73%	0.732	72%	0.716	S	S	*	*			cis	154.3	143.1	12.1	-118.7	-173.5	-179.8	-168.3	1.6	109.6	E1068	R1066-E1068 IonicContact CZ-OE1 2.94Å; R1066-E1068 VanDerWaalsContact CZ-OE1 3.31Å; R1066-E1068 IonicContact CZ-OE2 2.67Å; R1066-E1068 IonicContact NE-OE1 2.7Å; R1066-E1068 PolarHBondContact NE-OE1 2.65Å; R1066-E1068 VanDerWaalsContact NE-OE1 3.1Å; R1066-E1068 IonicContact NH1-OE1 3.59Å; R1066-E1068 PolarHBondContact NH1-OE1 3.45Å; R1066-E1068 IonicContact NH1-OE2 2.95Å; R1066-E1068 PolarHBondContact NH1-OE2 3.44Å; R1066-E1068 IonicContact NH2-OE1 2.67Å; R1066-E1068 PolarHBondContact NH2-OE1 3.14Å
1067	K	35.2	Very low	37	Very low	162.8 Å²	162.8	146.1 Å²	146.1	71%	0.708	71%	0.712	S	S	*	*				150.4	160.4	57.2	-123.1	-175.6	176.8	-116.3	0	111
1068	E	37.8	Very low	36.9	Very low	137 Å²	137	140.4 Å²	140.4	64%	0.64	71%	0.705	S	S	*	*			trans	-124.2	143.4	177.3	-74	126.1	-170	0	0	110.1	R1066	R1066-E1068 IonicContact CZ-OE1 2.94Å; R1066-E1068 VanDerWaalsContact CZ-OE1 3.31Å; R1066-E1068 IonicContact CZ-OE2 2.67Å; R1066-E1068 IonicContact NE-OE1 2.7Å; R1066-E1068 PolarHBondContact NE-OE1 2.65Å; R1066-E1068 VanDerWaalsContact NE-OE1 3.1Å; R1066-E1068 IonicContact NH1-OE1 3.59Å; R1066-E1068 PolarHBondContact NH1-OE1 3.45Å; R1066-E1068 IonicContact NH1-OE2 2.95Å; R1066-E1068 PolarHBondContact NH1-OE2 3.44Å; R1066-E1068 IonicContact NH2-OE1 2.67Å; R1066-E1068 PolarHBondContact NH2-OE1 3.14Å
1069	G	36.1	Very low	36.6	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	71%	0.711	S	S	*	*			cis	143.2	148.9	14.5	0	0	0	0	0	113.6
1070	E	39.7	Very low	36.1	Very low	154.6 Å²	154.6	144.3 Å²	144.3	72%	0.722	71%	0.709	S	S	*	*			cis	166.6	146	32.9	-125.6	164.4	150.7	0	0	108.5
1071	E	35.3	Very low	35.9	Very low	151.4 Å²	151.4	140.9 Å²	140.9	71%	0.707	71%	0.707	S	S	*	*			trans	-35.3	156.6	149.3	-64	162.8	167.7	0	0	115.5
1072	D	37.2	Very low	35.9	Very low	111.4 Å²	111.4	143.7 Å²	143.7	60%	0.596	71%	0.712	S	S	*	*			cis	157.8	142.7	44	-142.2	12.6	0	0	0	115.4	N1074	D1072-N1074 PolarHBondContact OD1-ND2 2.64Å
1073	Q	37.7	Very low	35.9	Very low	132.2 Å²	132.2	142.6 Å²	142.6	62%	0.618	72%	0.715	S	S	*	*			trans	-172.9	122.9	146.4	-69.6	-136.8	-7.6	0	0	118
1074	N	32.8	Very low	35.8	Very low	121.2 Å²	121.2	138.9 Å²	138.9	65%	0.648	71%	0.711	S	S	*	*			trans	-40.8	-178.1	138.6	-83.2	-66.8	0	0	0	118.3	D1072	D1072-N1074 PolarHBondContact OD1-ND2 2.64Å
1075	P	41.9	Very low	35.9	Very low	103 Å²	103	135.9 Å²	135.9	67%	0.669	71%	0.71	S	S	*	*			trans	-113.2	-164	-142.7	42.7	-27.2	0	0	0	113
1076	P	37.7	Very low	36.1	Very low	107.6 Å²	107.6	139.7 Å²	139.7	70%	0.699	72%	0.717	S	S	*	*			cis	-136.2	160.7	2.2	32.8	-12.9	0	0	0	115.6
1077	C	29.8	Very low	36.1	Very low	117.8 Å²	117.8	137.9 Å²	137.9	80%	0.796	72%	0.717	S	S	*	*			trans	-60.6	150.8	157.4	-59.9	0	0	0	0	114.9
1078	P	37.8	Very low	36.3	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	72%	0.723	S	S	*	*				-141.3	161.4	86.1	39.7	-23.6	0	0	0	114.9
1079	R	32	Very low	36.1	Very low	225.6 Å²	225.6	136.2 Å²	136.2	85%	0.851	73%	0.728	S	S	*	*			trans	116.1	128.1	154.4	-82.1	-176.7	173.2	164.1	0.5	118.4
1080	L	30.4	Very low	36.2	Very low	151 Å²	151	138.7 Å²	138.7	79%	0.791	73%	0.732	S	S	*	*			trans	60.8	142.5	144.9	-62.6	168.7	0	0	0	114.7	R1082	L1080-R1082 PolarHBondContact O-N 3.33Å
1081	S	32.1	Very low	35.9	Very low	107.8 Å²	107.8	139.6 Å²	139.6	75%	0.754	74%	0.736	S	S	*	*			cis	-164.7	158.1	28.3	3.6	0	0	0	0	110.8
1082	R	36.5	Very low	35.9	Very low	193.6 Å²	193.6	138.1 Å²	138.1	73%	0.731	74%	0.737	S	S	*	*			trans	124	119.9	152.1	-167.5	179.3	177.1	173.7	2.1	113.1	L1080 L1084 L1085 D1086 E1087	L1080-R1082 PolarHBondContact O-N 3.33Å; R1082-L1084 PolarHBondContact O-N 3Å; R1082-L1085 HydrophobicContact CB-CD2 3.6Å; R1082-L1085 HydrophobicContact CB-CG 4.13Å; R1082-L1085 HydrophobicContact CG-CD2 3.43Å; R1082-L1085 VanDerWaalsContact CG-CD2 3.43Å; R1082-L1085 HydrophobicContact CG-CG 4.28Å; R1082-D1086 IonicContact CZ-OD1 3.84Å; R1082-D1086 IonicContact NE-OD1 2.74Å; R1082-D1086 IonicContact NH1-OD1 3.78Å; R1082-D1086 PolarHBondContact NH1-OD1 3.25Å; R1082-D1086 VanDerWaalsContact NH1-OD1 3.16Å; R1082-D1086 IonicContact NH2-OD1 3.32Å; R1082-D1086 PolarHBondContact NH2-OD1 2.98Å; R1082-E1087 IonicContact CZ-OE1 3.92Å; R1082-E1087 IonicContact NH1-OE1 2.83Å; R1082-E1087 PolarHBondContact NH1-OE1 2.79Å; R1082-E1087 IonicContact NH1-OE2 2.69Å; R1082-E1087 IonicContact NH2-OE1 3.05Å; R1082-E1087 PolarHBondContact NH2-OE1 3.3Å
1083	E	35.5	Very low	35.8	Very low	171.8 Å²	171.8	138.6 Å²	138.6	80%	0.803	74%	0.739	S	S	*	*			trans	-100.6	146.3	157.8	-71.6	148.6	173.6	0	0	110
1084	L	34.7	Very low	35.8	Very low	140 Å²	140	139.6 Å²	139.6	73%	0.733	74%	0.744	S	S	*	*			cis	-148.5	146.8	13.6	-86.8	174.6	0	0	0	108.8	R1082	R1082-L1084 PolarHBondContact O-N 3Å
1085	L	38.1	Very low	35.9	Very low	137.2 Å²	137.2	139.9 Å²	139.9	72%	0.718	75%	0.746	S	S	*	*				55.9	125.3	123.1	-62.5	176.5	0	0	0	115.3	R1082	R1082-L1085 HydrophobicContact CB-CD2 3.6Å; R1082-L1085 HydrophobicContact CB-CG 4.13Å; R1082-L1085 HydrophobicContact CG-CD2 3.43Å; R1082-L1085 VanDerWaalsContact CG-CD2 3.43Å; R1082-L1085 HydrophobicContact CG-CG 4.28Å
1086	D	39.9	Very low	35.5	Very low	132.2 Å²	132.2	139.5 Å²	139.5	71%	0.707	75%	0.745	S	S	*	*				163.8	129	95.8	-87.8	-27.6	0	0	0	112.9	R1082	R1082-D1086 IonicContact CZ-OD1 3.84Å; R1082-D1086 IonicContact NE-OD1 2.74Å; R1082-D1086 IonicContact NH1-OD1 3.78Å; R1082-D1086 PolarHBondContact NH1-OD1 3.25Å; R1082-D1086 VanDerWaalsContact NH1-OD1 3.16Å; R1082-D1086 IonicContact NH2-OD1 3.32Å; R1082-D1086 PolarHBondContact NH2-OD1 2.98Å
1087	E	40.6	Very low	35.5	Very low	156 Å²	156	142.3 Å²	142.3	73%	0.729	75%	0.753	S	S	*	*				173.1	147.8	108.1	-106.3	-168.9	178.7	0	0	113	R1082	R1082-E1087 IonicContact CZ-OE1 3.92Å; R1082-E1087 IonicContact NH1-OE1 2.83Å; R1082-E1087 PolarHBondContact NH1-OE1 2.79Å; R1082-E1087 IonicContact NH1-OE2 2.69Å; R1082-E1087 IonicContact NH2-OE1 3.05Å; R1082-E1087 PolarHBondContact NH2-OE1 3.3Å
1088	K	39.4	Very low	35.7	Very low	192.6 Å²	192.6	143.1 Å²	143.1	84%	0.837	75%	0.75	S	S	*	*			trans	148.4	131.3	167.5	-78.8	-118	-173.9	176.7	0	113.1
1089	G	32.3	Very low	35.6	Very low	72.8 Å²	72.8	147.9 Å²	147.9	75%	0.751	75%	0.753	S	S	*	*			trans	172.5	131.1	151.7	0	0	0	0	0	112.6
1090	P	39.1	Very low	35.5	Very low	119.2 Å²	119.2	142 Å²	142	77%	0.774	75%	0.745	S	S	*	*			trans	-106.4	175.3	-174.1	40	-32.7	0	0	0	114.4
1091	E	33.6	Very low	35.4	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	75%	0.748	S	S	*	*			trans	123.4	136.6	162.7	-75.5	164	-165.9	0	0	116.3
1092	V	36	Very low	35.3	Very low	120 Å²	120	145.2 Å²	145.2	73%	0.727	75%	0.748	S	S	*	*			trans	-171.5	131.1	138.4	-174.4	0	0	0	0	110.7
1093	L	33.8	Very low	34.8	Very low	120 Å²	120	142.1 Å²	142.1	63%	0.628	75%	0.751	S	S	*	*				102.6	125.7	122.9	-73.1	179.8	0	0	0	114.2	V993 V994	V993-L1093 HydrophobicContact CG1-CD1 4.27Å; V993-L1093 HydrophobicContact CG1-CD2 3.9Å; V994-L1093 HydrophobicContact CG2-CD2 3.53Å
1094	Q	37.8	Very low	34.6	Very low	154.2 Å²	154.2	139.6 Å²	139.6	72%	0.721	75%	0.75	S	S	*	*				154.8	150	101	-100.3	166.6	-11.3	0	0	113.4
1095	D	35.3	Very low	34.3	Very low	128.4 Å²	128.4	138.4 Å²	138.4	69%	0.687	75%	0.753	S	S	*	*			cis	-159.9	155.4	12.2	-120.6	-24.5	0	0	0	113.2	L1097	D1095-L1097 PolarHBondContact O-N 3.36Å
1096	S	33.6	Very low	34.1	Very low	94 Å²	94	135 Å²	135	66%	0.657	75%	0.751	S	S	*	*			trans	25.9	116.7	161.1	49.7	0	0	0	0	117.8	E997 D1098	E997-S1096 PolarHBondContact OE1-OG 3.34Å; S1096-D1098 PolarHBondContact O-N 3.07Å
1097	L	37.6	Very low	33.5	Very low	166.6 Å²	166.6	134.2 Å²	134.2	87%	0.872	76%	0.755	S	S	*	*			trans	-91.4	127.6	157.1	-72.4	172.8	0	0	0	112.8	D1095	D1095-L1097 PolarHBondContact O-N 3.36Å
1098	D	34.5	Very low	33.1	Very low	134.8 Å²	134.8	133.7 Å²	133.7	72%	0.721	76%	0.756	S	S	*	*			trans	-83.7	143.2	158.4	-113.9	-13.4	0	0	0	114.2	S1096	S1096-D1098 PolarHBondContact O-N 3.07Å
1099	R	35.7	Very low	32.8	Very low	213.8 Å²	213.8	132.3 Å²	132.3	81%	0.807	75%	0.753	S	S	*	*			trans	75.1	100.9	132.6	-152.9	173.4	-88.3	-157.3	-5	117.9
1100	C	29	Very low	32.7	Very low	100.8 Å²	100.8	135.8 Å²	135.8	68%	0.681	75%	0.753	S	S	*	*			trans	20.5	126.1	143.4	-62.8	0	0	0	0	117.9	S1102	C1100-S1102 PolarHBondContact O-N 2.78Å
1101	Y	28.6	Very low	32.5	Very low	218.6 Å²	218.6	135.4 Å²	135.4	86%	0.857	75%	0.749	S	S	*	*			trans	73.6	129.1	144.4	-66.3	-74	0	0	0	115.2
1102	S	29.1	Very low	32.5	Very low	107.2 Å²	107.2	133.4 Å²	133.4	75%	0.75	74%	0.744	S	S	*	*				-147.7	140.2	123.9	-62.8	0	0	0	0	115.5	C1100	C1100-S1102 PolarHBondContact O-N 2.78Å
1103	T	26.6	Very low	32.3	Very low	129.4 Å²	129.4	132.4 Å²	132.4	79%	0.794	74%	0.742	S	S	*	*			trans	-22.1	141.8	154.9	-13.9	0	0	0	0	114.2	S1105	T1103-S1105 PolarHBondContact O-N 3.5Å; T1103-S1105 PolarHBondContact O-OG 2.79Å
1104	P	32.4	Very low	32.1	Very low	118.8 Å²	118.8	132.1 Å²	132.1	77%	0.771	75%	0.749	S	S	*	*				-114.2	156.7	124.2	37.3	-28.7	0	0	0	114.5
1105	S	28.1	Very low	31.8	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	75%	0.749	S	S	*	*			trans	103.4	137.4	166.4	68.5	0	0	0	0	115.6	T1103	T1103-S1105 PolarHBondContact O-N 3.5Å; T1103-S1105 PolarHBondContact O-OG 2.79Å
1106	G	33.2	Very low	31.9	Very low	66.2 Å²	66.2	130.7 Å²	130.7	68%	0.682	75%	0.746	S	S	*	*			trans	119.3	96.2	-165.8	0	0	0	0	0	111.1	L1108	G1106-L1108 PolarHBondContact O-N 3.17Å; G1106-L1108 VanDerWaalsContact O-N 3.13Å
1107	C	27.5	Very low	31.8	Very low	115.6 Å²	115.6	136.9 Å²	136.9	78%	0.781	76%	0.757	S	S	*	*				49.5	119	79	-51	0	0	0	0	113.1
1108	L	32.2	Very low	31.5	Very low	144.6 Å²	144.6	139.7 Å²	139.7	76%	0.757	76%	0.756	S	S	*	*			trans	163	125.9	158.1	-77.8	161.2	0	0	0	110.4	G1106 L1110	G1106-L1108 PolarHBondContact O-N 3.17Å; G1106-L1108 VanDerWaalsContact O-N 3.13Å; L1108-L1110 HydrophobicContact CD2-CD1 4.25Å; L1108-L1110 HydrophobicContact CD2-CG 4.25Å; L1108-L1110 PolarHBondContact O-N 3.11Å
1109	E	32.7	Very low	31.4	Very low	163.2 Å²	163.2	137.8 Å²	137.8	76%	0.763	75%	0.753	S	S	*	*				41.2	130.4	108.9	-75.1	153.7	-158.9	0	0	113.8
1110	L	30.9	Very low	31.2	Very low	145.6 Å²	145.6	131.5 Å²	131.5	76%	0.762	75%	0.746	S	S	*	*			trans	99.7	135.1	130	-63.8	177.2	0	0	0	112.8	L1108	L1108-L1110 HydrophobicContact CD2-CD1 4.25Å; L1108-L1110 HydrophobicContact CD2-CG 4.25Å; L1108-L1110 PolarHBondContact O-N 3.11Å
1111	T	35	Very low	31.2	Very low	111.4 Å²	111.4	134.5 Å²	134.5	68%	0.683	75%	0.748	S	S	*	*			cis	-137.7	144.4	18.6	-21.3	0	0	0	0	111.9	S1113	T1111-S1113 PolarHBondContact O-N 2.83Å
1112	D	32.2	Very low	31.3	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	75%	0.747	S	S	*	*			trans	13.6	125.6	162.2	-73.1	-42.1	0	0	0	115.5
1113	S	32.4	Very low	31.4	Very low	98.2 Å²	98.2	136.3 Å²	136.3	69%	0.687	75%	0.748	S	S	*	*				165.1	122	85.4	65	0	0	0	0	112.9	T1111 Q1115	T1111-S1113 PolarHBondContact O-N 2.83Å; S1113-Q1115 PolarHBondContact O-N 3.09Å
1114	C	29.9	Very low	31.7	Very low	113.2 Å²	113.2	137 Å²	137	77%	0.765	75%	0.746	S	S	*	*				47.9	141.4	124.7	-76.1	0	0	0	0	115.6
1115	Q	31.3	Very low	31.8	Very low	156.2 Å²	156.2	138.1 Å²	138.1	73%	0.73	74%	0.741	S	S	*	*			trans	-124.8	165	164.9	-70	-74	-35.5	0	0	111.5	S1113	S1113-Q1115 PolarHBondContact O-N 3.09Å
1116	P	37.5	Very low	32.1	Very low	97.2 Å²	97.2	139.2 Å²	139.2	63%	0.631	73%	0.734	S	S	*	*				-115	163.4	-99.5	35.7	-24	0	0	0	114	R1064	R1064-P1116 PolarHBondContact NH1-O 3.17Å; R1064-P1116 PolarHBondContact NH2-O 3.25Å
1117	Y	30.3	Very low	32.1	Very low	224.2 Å²	224.2	143.3 Å²	143.3	88%	0.879	74%	0.735	S	S	*	*			trans	-60.2	143.8	172.4	-95.5	-97.6	0	0	0	114.2	R1064	R1064-Y1117 PolarHBondContact NH1-O 3.46Å
1118	R	32.7	Very low	32.2	Very low	226.6 Å²	226.6	143.2 Å²	143.2	86%	0.855	74%	0.735	S	S	*	*			trans	-122.3	139.6	151.1	-121.6	-163.5	179	-153.3	-1.1	110.2
1119	S	32.5	Very low	32.3	Very low	94 Å²	94	142 Å²	142	66%	0.657	73%	0.733	S	S	*	*			trans	-4.4	132.5	166	54.1	0	0	0	0	114.1	F1121 V1373	S1119-F1121 PolarHBondContact O-N 3.17Å; S1119-V1373 WeakPolarHBondContact CB-O 3.21Å
1120	A	30.6	Very low	32.3	Very low	80.6 Å²	80.6	137.4 Å²	137.4	67%	0.666	73%	0.73	S	S	*	*				105.9	143.5	112.3	0	0	0	0	0	115.8	Q1371	A1120-Q1371 CarbonylContact C-O 3.52Å; A1120-Q1371 WeakPolarHBondContact CA-O 3.3Å; A1120-Q1371 WeakPolarHBondContact CB-O 3.27Å
1121	F	28.4	Very low	32.4	Very low	163.8 Å²	163.8	138.2 Å²	138.2	72%	0.718	73%	0.734	S	S	*	*			trans	-91.3	145.6	-178.7	-72	-95.6	0	0	0	113.2	S1119 I1123 E1369 Q1370 Q1371 C1372	S1119-F1121 PolarHBondContact O-N 3.17Å; F1121-I1123 PolarHBondContact O-N 3.09Å; F1121-E1369 WeakPolarHBondContact CE2-O 3.48Å; F1121-Q1370 HydrophobicContact CD1-CB 4.32Å; F1121-Q1370 HydrophobicContact CD1-CG 3.93Å; F1121-Q1370 HydrophobicContact CD2-CB 3.96Å; F1121-Q1370 HydrophobicContact CD2-CG 4.25Å; F1121-Q1370 HydrophobicContact CE1-CB 4.46Å; F1121-Q1370 HydrophobicContact CE1-CG 3.73Å; F1121-Q1370 HydrophobicContact CE2-CB 4.11Å; F1121-Q1370 HydrophobicContact CE2-CG 4.07Å; F1121-Q1370 HydrophobicContact CG-CB 4.08Å; F1121-Q1370 HydrophobicContact CG-CG 4.19Å; F1121-Q1370 HydrophobicContact CZ-CB 4.36Å; F1121-Q1370 HydrophobicContact CZ-CG 3.8Å; F1121-Q1371 WeakPolarHBondContact CB-O 3.48Å; F1121-Q1371 WeakPolarHBondContact CD2-O 3.47Å; F1121-Q1371 PolarHBondContact N-O 2.68Å; F1121-C1372 HydrophobicContact CB-CB 4.38Å; F1121-C1372 VanDerWaalsContact CB-SG 3.5Å; F1121-C1372 WeakPolarHBondContact O-CB 3.23Å
1122	Y	30.8	Very low	32.4	Very low	214.6 Å²	214.6	137.3 Å²	137.3	84%	0.842	74%	0.737	S	S	*	*				-151.1	150.6	110.8	-86	-79.9	0	0	0	113.5	L1124 C1372	Y1122-L1124 PolarHBondContact O-N 3.06Å; Y1122-C1372 HydrophobicContact CD2-CB 3.4Å; Y1122-C1372 VanDerWaalsContact CD2-SG 3.57Å; Y1122-C1372 HydrophobicContact CE2-CB 3.46Å; Y1122-C1372 VanDerWaalsContact CE2-CB 3.46Å; Y1122-C1372 WeakPolarHBondContact CE2-SG 3.37Å; Y1122-C1372 HydrophobicContact CG-CB 4.22Å; Y1122-C1372 VanDerWaalsContact CZ-SG 3.54Å
1123	I	33	Very low	32.4	Very low	150.6 Å²	150.6	136.4 Å²	136.4	77%	0.772	74%	0.736	S	S	*	*			trans	-90.6	128.3	160.3	-66.8	167.4	0	0	0	110.2	F1121 E1125	F1121-I1123 PolarHBondContact O-N 3.09Å; I1123-E1125 WeakPolarHBondContact CG2-O 3.48Å; I1123-E1125 PolarHBondContact O-N 3.02Å
1124	L	32.6	Very low	32.7	Very low	142.8 Å²	142.8	138.3 Å²	138.3	75%	0.748	74%	0.739	S	S	*	*			trans	-130.8	135.1	149.6	-144.8	79.1	0	0	0	110.7	Y1122 Q1126 T1497	Y1122-L1124 PolarHBondContact O-N 3.06Å; L1124-Q1126 PolarHBondContact O-N 2.72Å; L1124-T1497 WeakPolarHBondContact CD2-O 3.35Å
1125	E	33.8	Very low	33.1	Very low	143.2 Å²	143.2	139.5 Å²	139.5	67%	0.669	74%	0.735	S	S	*	*			trans	23.1	122.1	155.8	-97.3	-168.4	159.4	0	0	114.2	I1123 Q1127 Y1495 S1496	I1123-E1125 WeakPolarHBondContact CG2-O 3.48Å; I1123-E1125 PolarHBondContact O-N 3.02Å; E1125-Q1127 PolarHBondContact O-N 2.66Å; E1125-Y1495 PolarHBondContact OE2-N 3.3Å; E1125-Y1495 VanDerWaalsContact OE2-N 3.11Å; E1125-S1496 PolarHBondContact OE2-N 3.23Å
1126	Q	34.4	Very low	33.5	Very low	137 Å²	137	138 Å²	138	64%	0.64	73%	0.732	S	S	*	*				-164.4	143.3	110.6	-85.2	-159.4	101.3	0	0	111.6	L1124 C1128	L1124-Q1126 PolarHBondContact O-N 2.72Å; Q1126-C1128 VanDerWaalsContact C-N 3.35Å; Q1126-C1128 PolarHBondContact O-N 3.02Å
1127	Q	33.3	Very low	33.8	Very low	151.8 Å²	151.8	141.2 Å²	141.2	71%	0.709	74%	0.738	S	S	*	*			trans	56.2	119.3	147.6	-73.2	172.7	-7	0	0	114.5	E1125 V1129	E1125-Q1127 PolarHBondContact O-N 2.66Å; Q1127-V1129 VanDerWaalsContact C-N 3.32Å; Q1127-V1129 PolarHBondContact O-N 3.06Å
1128	C	30	Very low	34.5	Very low	115 Å²	115	136.5 Å²	136.5	78%	0.777	73%	0.727	S	S	*	*				-151.6	134.2	125.4	-86.2	0	0	0	0	115.2	Q1126 G1130	Q1126-C1128 VanDerWaalsContact C-N 3.35Å; Q1126-C1128 PolarHBondContact O-N 3.02Å; C1128-G1130 VanDerWaalsContact C-N 3.32Å; C1128-G1130 PolarHBondContact O-N 3.01Å
1129	V	33.3	Very low	34.9	Very low	118.8 Å²	118.8	133.1 Å²	133.1	72%	0.72	72%	0.721	S	S	*	*			trans	59.2	121.6	159.6	-173.5	0	0	0	0	113.6	Q1127 L1131 C1602 Q1603	Q1127-V1129 VanDerWaalsContact C-N 3.32Å; Q1127-V1129 PolarHBondContact O-N 3.06Å; V1129-L1131 HydrophobicContact CG1-CD1 4.14Å; V1129-L1131 PolarHBondContact O-N 3.36Å; V1129-L1131 VanDerWaalsContact O-N 3.15Å; V1129-C1602 HydrophobicContact CB-CB 4.38Å; V1129-C1602 HydrophobicContact CG1-CB 4.04Å; V1129-C1602 HydrophobicContact CG2-CB 3.41Å; V1129-C1602 VanDerWaalsContact CG2-CB 3.41Å; V1129-Q1603 HydrophobicContact CB-CB 3.75Å; V1129-Q1603 HydrophobicContact CB-CG 3.99Å; V1129-Q1603 HydrophobicContact CG1-CB 3.9Å; V1129-Q1603 HydrophobicContact CG2-CB 3.63Å; V1129-Q1603 HydrophobicContact CG2-CG 3.55Å
1130	G	33.5	Very low	35.2	Very low	67.4 Å²	67.4	135.8 Å²	135.8	70%	0.695	72%	0.721	S	S	*	*			trans	178.6	93.2	169.5	0	0	0	0	0	112.6	C1128 A1132	C1128-G1130 VanDerWaalsContact C-N 3.32Å; C1128-G1130 PolarHBondContact O-N 3.01Å; G1130-A1132 VanDerWaalsContact C-N 3.28Å; G1130-A1132 PolarHBondContact O-N 3.32Å
1131	L	32.7	Very low	35.6	Very low	162.6 Å²	162.6	141.1 Å²	141.1	85%	0.851	73%	0.725	S	S	*	*			trans	-86.1	122.8	147.4	-71.8	172.8	0	0	0	109.4	V1129 Y1605	V1129-L1131 HydrophobicContact CG1-CD1 4.14Å; V1129-L1131 PolarHBondContact O-N 3.36Å; V1129-L1131 VanDerWaalsContact O-N 3.15Å; L1131-Y1605 HydrophobicContact CD2-CD2 4.5Å; L1131-Y1605 HydrophobicContact CD2-CE2 3.93Å
1132	A	34.1	Very low	36	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	72%	0.723	S	S	*	*			trans	66.7	117.6	159.9	0	0	0	0	0	112.3	G1130	G1130-A1132 VanDerWaalsContact C-N 3.28Å; G1130-A1132 PolarHBondContact O-N 3.32Å
1133	V	33.7	Very low	36.3	Very low	114.6 Å²	114.6	138.2 Å²	138.2	70%	0.695	72%	0.721	S	S	*	*			trans	103.7	120.3	131.7	-178.1	0	0	0	0	109.7	M1135 Y1605	V1133-M1135 PolarHBondContact O-N 3.09Å; V1133-Y1605 HydrophobicContact CB-CD2 3.78Å; V1133-Y1605 HydrophobicContact CB-CE1 4.29Å; V1133-Y1605 HydrophobicContact CB-CE2 3.48Å; V1133-Y1605 VanDerWaalsContact CB-CE2 3.48Å; V1133-Y1605 HydrophobicContact CB-CG 4.27Å; V1133-Y1605 HydrophobicContact CG1-CD1 3.85Å; V1133-Y1605 HydrophobicContact CG1-CD2 4.02Å; V1133-Y1605 HydrophobicContact CG1-CE1 3.6Å; V1133-Y1605 HydrophobicContact CG1-CE2 3.76Å; V1133-Y1605 HydrophobicContact CG1-CG 4.03Å; V1133-Y1605 HydrophobicContact CG2-CD2 3.44Å; V1133-Y1605 VanDerWaalsContact CG2-CD2 3.44Å; V1133-Y1605 HydrophobicContact CG2-CE2 3.7Å; V1133-Y1605 HydrophobicContact CG2-CG 3.88Å
1134	D	37.4	Very low	36.6	Very low	139.6 Å²	139.6	136.4 Å²	136.4	75%	0.747	72%	0.717	S	S	*	*				-123.8	145.6	121.7	-82.3	-36.4	0	0	0	110.8	D1136	D1134-D1136 VanDerWaalsContact C-N 3.31Å; D1134-D1136 PolarHBondContact O-N 3.35Å
1135	M	40	Very low	36.8	Very low	138.8 Å²	138.8	138.3 Å²	138.3	68%	0.684	72%	0.722	S	S	*	*			trans	150.2	79.2	162.2	-79.5	-142.7	20.3	0	0	113.8	V1133 Y1605	V1133-M1135 PolarHBondContact O-N 3.09Å; M1135-Y1605 HydrophobicContact CB-CE1 4.46Å; M1135-Y1605 HydrophobicContact CG-CE1 3.9Å; M1135-Y1605 WeakPolarHBondContact CG-OH 3.15Å; M1135-Y1605 HydrophobicContact SD-CE1 3.95Å; M1135-Y1605 PolarHBondContact SD-OH 3.16Å
1136	D	39.8	Very low	37	Very low	123.2 Å²	123.2	138.2 Å²	138.2	66%	0.659	72%	0.722	S	S	*	*				48.4	134.7	127.3	-54.4	-46.7	0	0	0	114.9	D1134	D1134-D1136 VanDerWaalsContact C-N 3.31Å; D1134-D1136 PolarHBondContact O-N 3.35Å
1137	E	43	Very low	37	Very low	165 Å²	165	138 Å²	138	77%	0.771	73%	0.725	S	S	*	*				162.8	129.3	68	-89.3	-178.3	165.8	0	0	115.3
1138	I	44.6	Very low	37.1	Very low	125.6 Å²	125.6	138.8 Å²	138.8	64%	0.644	73%	0.729	S	S	*	*			trans	-145.8	104.9	147.5	-58.9	167.2	0	0	0	111.1	A1608	I1138-A1608 HydrophobicContact CD1-CB 3.89Å; I1138-A1608 HydrophobicContact CG2-CB 3.67Å
1139	E	40.8	Very low	37.2	Very low	154.6 Å²	154.6	139.3 Å²	139.3	72%	0.722	72%	0.724	S	S	*	*				-156	119.3	70.3	-91.5	-163.5	150.5	0	0	110.5
1140	K	40.4	Very low	37.3	Very low	151.2 Å²	151.2	138.2 Å²	138.2	66%	0.657	72%	0.719	S	S	*	*				149.1	132	75.8	-110.8	168	-171	162.2	0	114.1
1141	Y	38.6	Very low	37.5	Very low	192 Å²	192	139.4 Å²	139.4	75%	0.753	72%	0.717	S	S	*	*			trans	76.3	116.1	158.7	-58	-80.5	0	0	0	112.7	F1609	Y1141-F1609 HydrophobicContact CE2-CD1 4.18Å; Y1141-F1609 AromaticContact CE2-CD2 3.96Å; Y1141-F1609 HydrophobicContact CE2-CD2 3.96Å; Y1141-F1609 HydrophobicContact CE2-CE1 4.04Å; Y1141-F1609 AromaticContact CE2-CE2 3.82Å; Y1141-F1609 HydrophobicContact CE2-CE2 3.82Å; Y1141-F1609 HydrophobicContact CE2-CG 4.16Å; Y1141-F1609 AromaticContact CE2-CZ 3.87Å; Y1141-F1609 HydrophobicContact CE2-CZ 3.87Å; Y1141-F1609 AromaticContact CZ-CE1 3.9Å; Y1141-F1609 AromaticContact CZ-CZ 3.99Å; Y1141-F1609 WeakPolarHBondContact OH-CE1 3.38Å; Y1141-F1609 VanDerWaalsContact OH-CZ 3.27Å; Y1141-F1609 WeakPolarHBondContact OH-CZ 3.39Å
1142	Q	36.5	Very low	37.4	Very low	146.8 Å²	146.8	136.3 Å²	136.3	69%	0.686	71%	0.708	S	S	*	*			cis	117.2	110.7	25.1	-160.9	-176.5	-21.6	0	0	112.5
1143	E	36.5	Very low	37.5	Very low	170.8 Å²	170.8	136.1 Å²	136.1	80%	0.798	70%	0.698	S	S	*	*			trans	90.3	133.1	154.7	-88.7	146.4	-147.2	0	0	114
1144	V	39.7	Very low	37.3	Very low	112.2 Å²	112.2	140 Å²	140	68%	0.68	70%	0.701	S	S	*	*				-166.2	132.8	52.5	156	0	0	0	0	107.3
1145	E	37	Very low	37	Very low	183.4 Å²	183.4	140.7 Å²	140.7	86%	0.857	70%	0.704	S	S	*	*			trans	-82	144.9	162.5	-125.5	167.2	-175.6	0	0	110.3
1146	E	37	Very low	36.8	Very low	140 Å²	140	138.8 Å²	138.8	65%	0.654	70%	0.704	S	S	*	*				64.3	116.8	122.7	-89.5	-172	165.6	0	0	115	E712 Q714 Q1148	E712-E1146 WeakPolarHBondContact CB-OE1 3.34Å; Q714-E1146 HydrophobicContact CB-CB 3.97Å; Q714-E1146 HydrophobicContact CB-CG 3.83Å; Q714-E1146 WeakPolarHBondContact CB-OE1 3.47Å; Q714-E1146 HydrophobicContact CG-CB 4.19Å; Q714-E1146 VanDerWaalsContact CG-CD 3.47Å; Q714-E1146 HydrophobicContact CG-CG 4.09Å; Q714-E1146 VanDerWaalsContact CG-OE1 3.23Å; Q714-E1146 WeakPolarHBondContact CG-OE1 3.49Å; Q714-E1146 PolarHBondContact N-OE1 3.08Å; Q714-E1146 VanDerWaalsContact NE2-CD 3.29Å; Q714-E1146 PolarHBondContact NE2-OE2 2.89Å; E1146-Q1148 HydrophobicContact CG-CG 3.9Å; E1146-Q1148 PolarHBondContact O-N 3.42Å; E1146-Q1148 PolarHBondContact OE1-NE2 3.13Å
1147	D	35.7	Very low	36.6	Very low	134.4 Å²	134.4	143.4 Å²	143.4	72%	0.719	71%	0.712	S	S	*	*			trans	25.2	97.9	149.6	-87.1	-24.2	0	0	0	116.7	Q714 L716 D1149 Q1615	Q714-D1147 PolarHBondContact OE1-O 3.02Å; L716-D1147 HydrophobicContact CD2-CB 4.03Å; D1147-D1149 HydrophobicContact CB-CB 4.08Å; D1147-Q1615 PolarHBondContact O-NE2 3.05Å
1148	Q	34.5	Very low	36.3	Very low	167 Å²	167	142.2 Å²	142.2	78%	0.78	71%	0.707	S	S	*	*			trans	-135.9	136.1	148.5	-63.6	-155.1	2.5	0	0	113.5	E1146	E1146-Q1148 HydrophobicContact CG-CG 3.9Å; E1146-Q1148 PolarHBondContact O-N 3.42Å; E1146-Q1148 PolarHBondContact OE1-NE2 3.13Å
1149	D	33.1	Very low	35.8	Very low	125.6 Å²	125.6	143.1 Å²	143.1	67%	0.672	71%	0.712	S	S	*	*				-36.9	137.2	116.9	-108.9	-21.4	0	0	0	112.2	G717 L718 D1147	G717-D1149 WeakPolarHBondContact CA-OD2 3.45Å; G717-D1149 VanDerWaalsContact O-CB 3.3Å; G717-D1149 WeakPolarHBondContact O-CB 3.44Å; L718-D1149 WeakPolarHBondContact CA-OD2 3.48Å; L718-D1149 PolarHBondContact N-OD2 3.49Å; D1147-D1149 HydrophobicContact CB-CB 4.08Å
1150	P	35.3	Very low	35.8	Very low	96.2 Å²	96.2	142.1 Å²	142.1	63%	0.625	71%	0.711	S	S	*	*				-120.2	134.6	120.3	31.2	-16.3	0	0	0	114.4	P1430 D1431	P1150-P1430 HydrophobicContact CB-CG 3.39Å; P1150-P1430 HydrophobicContact CG-CG 3.54Å; P1150-P1430 WeakPolarHBondContact O-CD 3.49Å; P1150-D1431 VanDerWaalsContact CB-OD1 3.25Å; P1150-D1431 WeakPolarHBondContact CB-OD1 3.44Å; P1150-D1431 HydrophobicContact CG-CB 4.2Å; P1150-D1431 WeakPolarHBondContact CG-OD1 3.3Å; P1150-D1431 VanDerWaalsContact CG-OD2 3.26Å; P1150-D1431 WeakPolarHBondContact CG-OD2 3.31Å
1151	S	37	Very low	35.7	Very low	92.2 Å²	92.2	140.7 Å²	140.7	65%	0.645	71%	0.711	S	S	*	*			trans	64.5	122.7	138.1	69	0	0	0	0	118.6	L1429 P1430	S1151-L1429 CarbonylContact O-C 3.49Å; S1151-L1429 VanDerWaalsContact O-C 3.25Å; S1151-P1430 WeakPolarHBondContact O-CB 3.44Å; S1151-P1430 WeakPolarHBondContact O-CD 3Å; S1151-P1430 WeakPolarHBondContact O-CG 3.09Å; S1151-P1430 VanDerWaalsContact OG-CG 3.22Å; S1151-P1430 WeakPolarHBondContact OG-CG 3.39Å
1152	C	30.3	Very low	35.8	Very low	98.6 Å²	98.6	138 Å²	138	67%	0.666	71%	0.705	S	S	*	*			trans	43.9	154.8	135.6	-54.7	0	0	0	0	113.7	R1154 L1160 E1428	C1152-R1154 HydrophobicContact CB-CG 4.31Å; C1152-L1160 WeakPolarHBondContact CA-O 3.17Å; C1152-E1428 HydrophobicContact CB-CG 3.99Å; C1152-E1428 VanDerWaalsContact SG-CG 3.59Å; C1152-E1428 PolarHBondContact SG-OE1 3.15Å; C1152-E1428 VanDerWaalsContact SG-OE1 3.32Å
1153	P	36	Very low	35.9	Very low	85.4 Å²	85.4	137.8 Å²	137.8	56%	0.555	70%	0.701	S	S	*	*			cis	-137.1	145.8	33.7	29.3	-11.3	0	0	0	116.8	L1155 L1159 L1429 P1430 L1432	P1153-L1155 PolarHBondContact O-N 2.77Å; P1153-L1155 VanDerWaalsContact O-N 3.13Å; P1153-L1159 CarbonylContact C-O 3Å; P1153-L1429 WeakPolarHBondContact O-CD2 3.37Å; P1153-P1430 VanDerWaalsContact CD-CB 3.5Å; P1153-L1432 HydrophobicContact CG-CG 4.28Å
1154	R	30.4	Very low	35.9	Very low	197.6 Å²	197.6	137.5 Å²	137.5	75%	0.746	70%	0.7	S	S	*	*			trans	31.1	126	134.5	-80.5	171.7	176.5	167.8	0.6	115.3	C1152 L1159 D1161	C1152-R1154 HydrophobicContact CB-CG 4.31Å; R1154-L1159 PolarHBondContact N-O 3.45Å; R1154-D1161 IonicContact NH1-OD1 2.95Å; R1154-D1161 IonicContact NH1-OD2 2.86Å
1155	L	30.8	Very low	35.9	Very low	153.6 Å²	153.6	136.8 Å²	136.8	80%	0.804	70%	0.698	S	S	*	*				120.4	114.2	104.2	-64.6	178.6	0	0	0	116.1	P1153	P1153-L1155 PolarHBondContact O-N 2.77Å; P1153-L1155 VanDerWaalsContact O-N 3.13Å
1156	S	35	Very low	35.8	Very low	98.4 Å²	98.4	136.5 Å²	136.5	69%	0.688	70%	0.697	S	S	*	*			trans	-80.3	127.9	130.6	49.9	0	0	0	0	114.3
1157	R	37.5	Very low	35.7	Very low	220.6 Å²	220.6	135.8 Å²	135.8	83%	0.832	70%	0.702	S	S	*	*				165.9	129.2	95.9	-151.9	174	173.4	170	-6.6	110.8
1158	E	35.3	Very low	35.7	Very low	140 Å²	140	135.8 Å²	135.8	65%	0.654	70%	0.701	S	S	*	*			trans	-34.4	146.2	161.8	-84.9	138.2	172.3	0	0	114.6	L1160	E1158-L1160 PolarHBondContact O-N 3.45Å
1159	L	35.1	Very low	35.8	Very low	144.4 Å²	144.4	135.2 Å²	135.2	76%	0.756	70%	0.698	S	S	*	*			trans	61.1	135.5	142.6	-58.9	176.2	0	0	0	114.9	P1153 R1154	P1153-L1159 CarbonylContact C-O 3Å; R1154-L1159 PolarHBondContact N-O 3.45Å
1160	L	40	Very low	35.9	Very low	133.6 Å²	133.6	136.1 Å²	136.1	70%	0.699	70%	0.703	S	S	*	*			cis	-131.5	148.8	39.7	-90	164.9	0	0	0	111.9	C1152 E1158 L1656 Q1657	C1152-L1160 WeakPolarHBondContact CA-O 3.17Å; E1158-L1160 PolarHBondContact O-N 3.45Å; L1160-L1656 HydrophobicContact CD1-CD2 3.41Å; L1160-L1656 VanDerWaalsContact CD1-CD2 3.41Å; L1160-L1656 HydrophobicContact CD2-CD1 4.41Å; L1160-L1656 HydrophobicContact CD2-CD2 4.06Å; L1160-L1656 HydrophobicContact CG-CD2 4.44Å; L1160-Q1657 HydrophobicContact CD1-CB 4.38Å; L1160-Q1657 HydrophobicContact CD1-CG 3.82Å
1161	D	39.4	Very low	35.9	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	71%	0.705	S	S	*	*			trans	-105.8	158.3	179.9	-154.8	24.8	0	0	0	112.9	R1154 R1174 C1175	R1154-D1161 IonicContact NH1-OD1 2.95Å; R1154-D1161 IonicContact NH1-OD2 2.86Å; D1161-R1174 HydrophobicContact CB-CB 3.95Å; D1161-C1175 WeakPolarHBondContact OD2-CA 3.49Å; D1161-C1175 PolarHBondContact OD2-N 3.47Å
1162	E	38.9	Very low	36	Very low	134.6 Å²	134.6	138.6 Å²	138.6	63%	0.629	71%	0.711	S	S	*	*			trans	-145.7	134.4	176.9	-70.4	-154.7	114.5	0	0	114.9	R1174 C1175 Y1176 S1177	E1162-R1174 WeakPolarHBondContact O-CA 3.37Å; E1162-R1174 WeakPolarHBondContact O-CB 2.95Å; E1162-R1174 WeakPolarHBondContact O-CG 3.22Å; E1162-C1175 VanDerWaalsContact C-N 3.26Å; E1162-C1175 VanDerWaalsContact N-N 3.16Å; E1162-Y1176 VanDerWaalsContact CD-C 3.49Å; E1162-Y1176 WeakPolarHBondContact OE2-CA 3.03Å; E1162-Y1176 PolarHBondContact OE2-N 2.9Å; E1162-S1177 PolarHBondContact OE1-N 2.81Å; E1162-S1177 PolarHBondContact OE2-N 3.46Å
1163	K	38.8	Very low	36.2	Very low	142.2 Å²	142.2	139.4 Å²	139.4	62%	0.618	71%	0.709	S	S	*	*			trans	101.5	132.5	134.7	-74.4	-98.9	177.8	-176.8	0	116.9	P1165 L1172 D1173 R1174 C1175	K1163-P1165 HydrophobicContact CD-CB 4.19Å; K1163-P1165 HydrophobicContact CD-CG 3.65Å; K1163-L1172 PolarHBondContact NZ-O 2.76Å; K1163-D1173 PolarHBondContact NZ-O 3.04Å; K1163-R1174 VanDerWaalsContact NZ-N 3.17Å; K1163-R1174 PolarHBondContact NZ-O 2.85Å; K1163-C1175 WeakPolarHBondContact CA-O 3.38Å; K1163-C1175 HydrophobicContact CD-CB 4.41Å; K1163-C1175 HydrophobicContact CG-CB 3.86Å; K1163-C1175 WeakPolarHBondContact CG-O 3.26Å; K1163-C1175 VanDerWaalsContact N-C 3.35Å; K1163-C1175 VanDerWaalsContact N-N 3.13Å; K1163-C1175 PolarHBondContact N-O 3.3Å
1164	E	38.2	Very low	36.2	Very low	165 Å²	165	144.8 Å²	144.8	77%	0.771	72%	0.718	S	S	*	*				-53.4	154.4	125.5	-80.9	179.1	140.7	0	0	114.3	E1166 R1174	E1164-E1166 PolarHBondContact O-N 3.43Å; E1164-R1174 VanDerWaalsContact CD-NH1 3.31Å; E1164-R1174 IonicContact OE1-CZ 2.84Å; E1164-R1174 IonicContact OE1-NH1 3.31Å; E1164-R1174 IonicContact OE1-NH2 3.1Å; E1164-R1174 PolarHBondContact OE1-NH2 2.72Å; E1164-R1174 IonicContact OE2-CZ 3.64Å; E1164-R1174 IonicContact OE2-NH1 2.69Å; E1164-R1174 PolarHBondContact OE2-NH1 2.72Å; E1164-R1174 IonicContact OE2-NH2 3.7Å; E1164-R1174 PolarHBondContact OE2-NH2 2.8Å
1165	P	38.3	Very low	36.3	Very low	98.8 Å²	98.8	139.7 Å²	139.7	64%	0.642	71%	0.711	S	S	*	*				-131.3	148.9	116.7	37	-21.6	0	0	0	113.5	K1163	K1163-P1165 HydrophobicContact CD-CB 4.19Å; K1163-P1165 HydrophobicContact CD-CG 3.65Å
1166	E	35.6	Very low	36.4	Very low	175.8 Å²	175.8	142.3 Å²	142.3	82%	0.821	71%	0.712	S	S	*	*			trans	34.1	127.1	151.1	-61.6	-179	174	0	0	119	E1164	E1164-E1166 PolarHBondContact O-N 3.43Å
1167	V	33.8	Very low	36.4	Very low	126.8 Å²	126.8	142.9 Å²	142.9	77%	0.768	72%	0.716	S	S	*	*				163.3	128.3	106.4	-133.1	0	0	0	0	114.7
1168	L	36.2	Very low	36.3	Very low	133.8 Å²	133.8	139.3 Å²	139.3	70%	0.701	71%	0.712	S	S	*	*			trans	56.2	149.6	158.6	-70.5	171.1	0	0	0	117.2	D1905	L1168-D1905 WeakPolarHBondContact CD1-OD1 3.25Å
1169	Q	37	Very low	36.3	Very low	153.2 Å²	153.2	137.8 Å²	137.8	72%	0.716	71%	0.714	S	S	*	*			trans	118.2	139.6	162.7	-73.4	163.3	-29.4	0	0	115.4
1170	D	35	Very low	36.3	Very low	145.4 Å²	145.4	136.1 Å²	136.1	78%	0.778	72%	0.715	S	S	*	*			trans	100.6	149.6	135.3	-88.1	-24.1	0	0	0	118.3	L1172	D1170-L1172 PolarHBondContact O-N 3Å; D1170-L1172 VanDerWaalsContact O-N 3.17Å
1171	S	35.5	Very low	36.1	Very low	95.6 Å²	95.6	132.9 Å²	132.9	67%	0.669	71%	0.714	S	S	*	*			trans	161.3	144.6	158.7	63.5	0	0	0	0	115.1	D1173	S1171-D1173 PolarHBondContact O-N 3.18Å
1172	L	38	Very low	35.7	Very low	145.4 Å²	145.4	137.1 Å²	137.1	76%	0.761	72%	0.722	S	S	*	*			trans	108.1	111	145.8	-64.4	175.1	0	0	0	117.4	K1163 D1170	K1163-L1172 PolarHBondContact NZ-O 2.76Å; D1170-L1172 PolarHBondContact O-N 3Å; D1170-L1172 VanDerWaalsContact O-N 3.17Å
1173	D	35.1	Very low	35.6	Very low	115.6 Å²	115.6	137.7 Å²	137.7	62%	0.618	73%	0.729	S	S	*	*			trans	-26.2	139.9	153.3	-82.7	-42.1	0	0	0	117.2	K1163 S1171 L1656	K1163-D1173 PolarHBondContact NZ-O 3.04Å; S1171-D1173 PolarHBondContact O-N 3.18Å; D1173-L1656 HydrophobicContact CB-CB 4.02Å; D1173-L1656 HydrophobicContact CB-CD1 3.56Å; D1173-L1656 HydrophobicContact CB-CG 4.41Å; D1173-L1656 VanDerWaalsContact O-CD1 3.22Å; D1173-L1656 WeakPolarHBondContact O-CD1 3.13Å
1174	R	36.9	Very low	35.4	Very low	197.8 Å²	197.8	138.2 Å²	138.2	75%	0.746	73%	0.733	S	S	*	*			trans	152.7	134.4	136.8	-94	166.4	-163.9	-112.3	-9	116.5	D1161 E1162 K1163 E1164	D1161-R1174 HydrophobicContact CB-CB 3.95Å; E1162-R1174 WeakPolarHBondContact O-CA 3.37Å; E1162-R1174 WeakPolarHBondContact O-CB 2.95Å; E1162-R1174 WeakPolarHBondContact O-CG 3.22Å; K1163-R1174 VanDerWaalsContact NZ-N 3.17Å; K1163-R1174 PolarHBondContact NZ-O 2.85Å; E1164-R1174 VanDerWaalsContact CD-NH1 3.31Å; E1164-R1174 IonicContact OE1-CZ 2.84Å; E1164-R1174 IonicContact OE1-NH1 3.31Å; E1164-R1174 IonicContact OE1-NH2 3.1Å; E1164-R1174 PolarHBondContact OE1-NH2 2.72Å; E1164-R1174 IonicContact OE2-CZ 3.64Å; E1164-R1174 IonicContact OE2-NH1 2.69Å; E1164-R1174 PolarHBondContact OE2-NH1 2.72Å; E1164-R1174 IonicContact OE2-NH2 3.7Å; E1164-R1174 PolarHBondContact OE2-NH2 2.8Å
1175	C	32.5	Very low	35.3	Very low	90.4 Å²	90.4	137.9 Å²	137.9	61%	0.611	74%	0.736	S	S	*	*			trans	165.5	128.1	156.7	-73.7	0	0	0	0	117.3	D1161 E1162 K1163 S1177	D1161-C1175 WeakPolarHBondContact OD2-CA 3.49Å; D1161-C1175 PolarHBondContact OD2-N 3.47Å; E1162-C1175 VanDerWaalsContact C-N 3.26Å; E1162-C1175 VanDerWaalsContact N-N 3.16Å; K1163-C1175 WeakPolarHBondContact CA-O 3.38Å; K1163-C1175 HydrophobicContact CD-CB 4.41Å; K1163-C1175 HydrophobicContact CG-CB 3.86Å; K1163-C1175 WeakPolarHBondContact CG-O 3.26Å; K1163-C1175 VanDerWaalsContact N-C 3.35Å; K1163-C1175 VanDerWaalsContact N-N 3.13Å; K1163-C1175 PolarHBondContact N-O 3.3Å; C1175-S1177 VanDerWaalsContact C-N 3.35Å; C1175-S1177 PolarHBondContact O-N 3.06Å; C1175-S1177 VanDerWaalsContact O-N 3.1Å
1176	Y	32.8	Very low	35.2	Very low	209.2 Å²	209.2	137.7 Å²	137.7	82%	0.82	74%	0.735	S	S	*	*			trans	-7.1	133.8	154.8	-64.7	-73.9	0	0	0	116.2	E1162 I1178	E1162-Y1176 VanDerWaalsContact CD-C 3.49Å; E1162-Y1176 WeakPolarHBondContact OE2-CA 3.03Å; E1162-Y1176 PolarHBondContact OE2-N 2.9Å; Y1176-I1178 HydrophobicContact CD1-CD1 3.57Å; Y1176-I1178 HydrophobicContact CD1-CG1 4.18Å; Y1176-I1178 HydrophobicContact CE1-CD1 3.9Å; Y1176-I1178 PolarHBondContact O-N 2.9Å
1177	S	34.9	Very low	35.1	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	73%	0.729	S	S	*	*			trans	-142.2	119	151.4	-69.4	0	0	0	0	114.1	E1162 C1175	E1162-S1177 PolarHBondContact OE1-N 2.81Å; E1162-S1177 PolarHBondContact OE2-N 3.46Å; C1175-S1177 VanDerWaalsContact C-N 3.35Å; C1175-S1177 PolarHBondContact O-N 3.06Å; C1175-S1177 VanDerWaalsContact O-N 3.1Å
1178	I	34.9	Very low	35.1	Very low	143.8 Å²	143.8	136.8 Å²	136.8	74%	0.737	73%	0.731	S	S	*	*			trans	-83	154.4	163.7	-52.5	169.9	0	0	0	110.8	Y1176 S1180	Y1176-I1178 HydrophobicContact CD1-CD1 3.57Å; Y1176-I1178 HydrophobicContact CD1-CG1 4.18Å; Y1176-I1178 HydrophobicContact CE1-CD1 3.9Å; Y1176-I1178 PolarHBondContact O-N 2.9Å; I1178-S1180 PolarHBondContact O-N 3.47Å; I1178-S1180 VanDerWaalsContact O-N 3.15Å
1179	P	36.1	Very low	34.9	Very low	108.8 Å²	108.8	133.4 Å²	133.4	71%	0.706	73%	0.728	S	S	*	*			cis	-127.6	166	-22.2	29.2	-9.8	0	0	0	116.6	I934 G1181	I934-P1179 HydrophobicContact CD1-CB 3.47Å; I934-P1179 VanDerWaalsContact CD1-CB 3.47Å; I934-P1179 HydrophobicContact CG1-CB 3.96Å; P1179-G1181 VanDerWaalsContact C-N 3.28Å; P1179-G1181 PolarHBondContact O-N 3.25Å
1180	S	34.7	Very low	34.7	Very low	109.4 Å²	109.4	133.8 Å²	133.8	77%	0.765	73%	0.729	S	S	*	*			trans	80.7	134.9	145.5	50.7	0	0	0	0	115.7	I1178 Y1182	I1178-S1180 PolarHBondContact O-N 3.47Å; I1178-S1180 VanDerWaalsContact O-N 3.15Å; S1180-Y1182 PolarHBondContact O-N 3.43Å
1181	G	35.1	Very low	34.8	Very low	66.4 Å²	66.4	131 Å²	131	69%	0.685	72%	0.72	S	S	*	*			cis	159	125.7	34.8	0	0	0	0	0	113.3	P1179 L1183	P1179-G1181 VanDerWaalsContact C-N 3.28Å; P1179-G1181 PolarHBondContact O-N 3.25Å; G1181-L1183 PolarHBondContact O-N 3Å
1182	Y	31.9	Very low	34.6	Very low	209.6 Å²	209.6	135.4 Å²	135.4	82%	0.822	72%	0.723	S	S	*	*			trans	64.2	132.1	177.8	-78.8	-84.9	0	0	0	115	S1180 C1257	S1180-Y1182 PolarHBondContact O-N 3.43Å; Y1182-C1257 HydrophobicContact CD1-CB 4.26Å; Y1182-C1257 HydrophobicContact CE1-CB 3.61Å
1183	L	36.2	Very low	34.4	Very low	147 Å²	147	133.1 Å²	133.1	77%	0.77	72%	0.719	S	S	*	*				151.1	137.8	113.1	-134.2	77.3	0	0	0	112.1	G1181	G1181-L1183 PolarHBondContact O-N 3Å
1184	E	34.6	Very low	34.4	Very low	152.4 Å²	152.4	132.4 Å²	132.4	71%	0.712	72%	0.723	S	S	*	*				-105.1	137.1	114.8	-88.2	-178.8	134.4	0	0	116.4	P1186	E1184-P1186 VanDerWaalsContact O-CD 3.23Å; E1184-P1186 WeakPolarHBondContact O-CD 3.26Å
1185	L	36.2	Very low	34.3	Very low	159.4 Å²	159.4	126.3 Å²	126.3	84%	0.835	72%	0.715	S	S	*	*				54.1	144	127.4	-62	175.9	0	0	0	119.6
1186	P	37.1	Very low	34.4	Very low	94.4 Å²	94.4	127.6 Å²	127.6	61%	0.613	72%	0.72	S	S	*	*				-120.5	164	-61.1	35.5	-28.1	0	0	0	113.6	E1184 S1194	E1184-P1186 VanDerWaalsContact O-CD 3.23Å; E1184-P1186 WeakPolarHBondContact O-CD 3.26Å; P1186-S1194 PolarHBondContact O-OG 3.49Å
1187	D	33.6	Very low	34.8	Very low	130 Å²	130	126.8 Å²	126.8	70%	0.695	72%	0.717	S	S	*	*				57.3	139.3	108	-72	-19.2	0	0	0	117.7	G1189 S1193 S1194 A1195	D1187-G1189 PolarHBondContact O-N 2.71Å; D1187-S1193 WeakPolarHBondContact OD2-CB 3.45Å; D1187-S1193 PolarHBondContact OD2-OG 3.18Å; D1187-S1194 PolarHBondContact N-OG 2.97Å; D1187-S1194 CarbonylContact O-C 3.4Å; D1187-S1194 PolarHBondContact O-N 3.37Å; D1187-A1195 VanDerWaalsContact C-CB 3.49Å; D1187-A1195 WeakPolarHBondContact O-CB 3.24Å; D1187-A1195 PolarHBondContact O-N 2.85Å
1188	L	33	Very low	34.9	Very low	155.2 Å²	155.2	125.8 Å²	125.8	81%	0.813	71%	0.71	S	S	*	*			trans	53.2	91.2	133.4	-82.7	169.4	0	0	0	117.2	Q1190 P1191 Y1192	L1188-Q1190 VanDerWaalsContact C-C 3.44Å; L1188-Q1190 CarbonylContact C-O 3.58Å; L1188-Q1190 VanDerWaalsContact CA-O 3.25Å; L1188-Q1190 WeakPolarHBondContact CA-O 3.07Å; L1188-Q1190 VanDerWaalsContact CD2-O 3.25Å; L1188-Q1190 WeakPolarHBondContact CD2-O 3.01Å; L1188-Q1190 CarbonylContact O-C 3.17Å; L1188-Q1190 VanDerWaalsContact O-C 3.27Å; L1188-Q1190 PolarHBondContact O-N 3Å; L1188-P1191 CarbonylContact O-C 2.81Å; L1188-P1191 WeakPolarHBondContact O-CA 3.37Å; L1188-Y1192 PolarHBondContact O-N 2.64Å
1189	G	32.4	Very low	34.9	Very low	62 Å²	62	125.6 Å²	125.6	64%	0.639	71%	0.71	S	S	*	*			trans	127.6	106.4	158.3	0	0	0	0	0	116.3	D1187	D1187-G1189 PolarHBondContact O-N 2.71Å
1190	Q	33.2	Very low	35	Very low	160 Å²	160	128.1 Å²	128.1	75%	0.748	71%	0.712	S	S	*	*			trans	55.2	146	177.9	-72.7	-80.8	-13.6	0	0	112.7	G1065 L1188 Y1192	G1065-Q1190 PolarHBondContact O-NE2 3Å; L1188-Q1190 VanDerWaalsContact C-C 3.44Å; L1188-Q1190 CarbonylContact C-O 3.58Å; L1188-Q1190 VanDerWaalsContact CA-O 3.25Å; L1188-Q1190 WeakPolarHBondContact CA-O 3.07Å; L1188-Q1190 VanDerWaalsContact CD2-O 3.25Å; L1188-Q1190 WeakPolarHBondContact CD2-O 3.01Å; L1188-Q1190 CarbonylContact O-C 3.17Å; L1188-Q1190 VanDerWaalsContact O-C 3.27Å; L1188-Q1190 PolarHBondContact O-N 3Å; Q1190-Y1192 HydrophobicContact CB-CD2 3.68Å; Q1190-Y1192 HydrophobicContact CB-CE2 4.29Å; Q1190-Y1192 HydrophobicContact CG-CD2 3.78Å; Q1190-Y1192 HydrophobicContact CG-CE2 3.9Å
1191	P	36.6	Very low	35.2	Very low	88.4 Å²	88.4	130.4 Å²	130.4	57%	0.574	71%	0.71	S	S	*	*			cis	-121.3	134.3	-16.9	40.7	-27.7	0	0	0	113.2	L1188 S1193	L1188-P1191 CarbonylContact O-C 2.81Å; L1188-P1191 WeakPolarHBondContact O-CA 3.37Å; P1191-S1193 PolarHBondContact O-N 2.78Å
1192	Y	30.8	Very low	35.3	Very low	186.8 Å²	186.8	134.7 Å²	134.7	73%	0.733	71%	0.713	S	S	*	*			trans	52.2	122.2	152	-83	-86.4	0	0	0	114.4	R1062 R1064 L1188 Q1190	R1062-Y1192 PolarHBondContact NH2-OH 3.27Å; R1064-Y1192 HydrophobicContact CG-CE1 4.45Å; L1188-Y1192 PolarHBondContact O-N 2.64Å; Q1190-Y1192 HydrophobicContact CB-CD2 3.68Å; Q1190-Y1192 HydrophobicContact CB-CE2 4.29Å; Q1190-Y1192 HydrophobicContact CG-CD2 3.78Å; Q1190-Y1192 HydrophobicContact CG-CE2 3.9Å
1193	S	33.9	Very low	35.5	Very low	96.6 Å²	96.6	134 Å²	134	68%	0.676	71%	0.71	S	S	*	*			trans	-147.5	149.3	162.5	155.5	0	0	0	0	113.8	D1187 P1191	D1187-S1193 WeakPolarHBondContact OD2-CB 3.45Å; D1187-S1193 PolarHBondContact OD2-OG 3.18Å; P1191-S1193 PolarHBondContact O-N 2.78Å
1194	S	34.7	Very low	35.6	Very low	100.8 Å²	100.8	134.2 Å²	134.2	71%	0.705	71%	0.711	S	S	*	*			trans	-145.8	138.5	131.2	65.9	0	0	0	0	115.4	P1186 D1187	P1186-S1194 PolarHBondContact O-OG 3.49Å; D1187-S1194 PolarHBondContact N-OG 2.97Å; D1187-S1194 CarbonylContact O-C 3.4Å; D1187-S1194 PolarHBondContact O-N 3.37Å
1195	A	34.5	Very low	35.8	Very low	70.6 Å²	70.6	130.6 Å²	130.6	58%	0.583	71%	0.714	S	S	*	*			trans	-113.7	152.7	160.4	0	0	0	0	0	112	D1187	D1187-A1195 VanDerWaalsContact C-CB 3.49Å; D1187-A1195 WeakPolarHBondContact O-CB 3.24Å; D1187-A1195 PolarHBondContact O-N 2.85Å
1196	V	34.2	Very low	35.7	Very low	116.8 Å²	116.8	130.7 Å²	130.7	71%	0.708	72%	0.715	S	S	*	*			cis	-143.2	125.2	36	-168.5	0	0	0	0	110.9	S1198 P1254	V1196-S1198 VanDerWaalsContact CG1-OG 3.23Å; V1196-S1198 WeakPolarHBondContact CG1-OG 3.4Å; V1196-P1254 HydrophobicContact CG1-CB 3.65Å; V1196-P1254 HydrophobicContact CG1-CG 3.47Å; V1196-P1254 VanDerWaalsContact CG1-CG 3.47Å
1197	Y	41.4	Very low	35.7	Very low	193.2 Å²	193.2	130.2 Å²	130.2	76%	0.758	72%	0.719	S	S	*	*			trans	-137.8	123.2	139.6	-83.1	-78.6	0	0	0	111.9	L1199 Q1202 P1254 S1363 A1364	Y1197-L1199 HydrophobicContact CD1-CB 3.59Å; Y1197-L1199 HydrophobicContact CD1-CD1 3.78Å; Y1197-L1199 HydrophobicContact CD1-CG 3.68Å; Y1197-L1199 HydrophobicContact CD2-CD1 4.36Å; Y1197-L1199 HydrophobicContact CE1-CB 4.41Å; Y1197-L1199 HydrophobicContact CE1-CD1 4.31Å; Y1197-L1199 HydrophobicContact CE1-CG 4.11Å; Y1197-L1199 HydrophobicContact CG-CB 4.12Å; Y1197-L1199 HydrophobicContact CG-CD1 3.79Å; Y1197-L1199 HydrophobicContact CG-CG 4.2Å; Y1197-Q1202 PolarHBondContact OH-NE2 3.49Å; Y1197-P1254 WeakPolarHBondContact O-CG 3.49Å; Y1197-S1363 VanDerWaalsContact CE1-O 3.27Å; Y1197-S1363 WeakPolarHBondContact CE1-O 3.18Å; Y1197-S1363 VanDerWaalsContact OH-C 3.27Å; Y1197-S1363 PolarHBondContact OH-O 2.72Å; Y1197-S1363 VanDerWaalsContact OH-O 3.13Å; Y1197-A1364 VanDerWaalsContact OH-CA 3.28Å; Y1197-A1364 WeakPolarHBondContact OH-CA 3.23Å; Y1197-A1364 PolarHBondContact OH-N 3.37Å
1198	S	38.1	Very low	35.8	Very low	89.6 Å²	89.6	131.2 Å²	131.2	63%	0.627	72%	0.724	S	S	*	*				-171.4	112.7	128.1	-95.3	0	0	0	0	111.5	V1196 P1254 S1255	V1196-S1198 VanDerWaalsContact CG1-OG 3.23Å; V1196-S1198 WeakPolarHBondContact CG1-OG 3.4Å; S1198-P1254 WeakPolarHBondContact CB-O 3.38Å; S1198-P1254 VanDerWaalsContact OG-CG 3.31Å; S1198-P1254 WeakPolarHBondContact OG-CG 3.09Å; S1198-P1254 PolarHBondContact OG-O 3.09Å; S1198-S1255 VanDerWaalsContact CB-O 3.24Å; S1198-S1255 WeakPolarHBondContact CB-O 3.35Å; S1198-S1255 PolarHBondContact N-O 2.8Å
1199	L	34.8	Very low	36	Very low	140.4 Å²	140.4	130.8 Å²	130.8	74%	0.735	72%	0.722	S	S	*	*				90	125.8	101.5	-135.5	126.7	0	0	0	112.9	Y1197	Y1197-L1199 HydrophobicContact CD1-CB 3.59Å; Y1197-L1199 HydrophobicContact CD1-CD1 3.78Å; Y1197-L1199 HydrophobicContact CD1-CG 3.68Å; Y1197-L1199 HydrophobicContact CD2-CD1 4.36Å; Y1197-L1199 HydrophobicContact CE1-CB 4.41Å; Y1197-L1199 HydrophobicContact CE1-CD1 4.31Å; Y1197-L1199 HydrophobicContact CE1-CG 4.11Å; Y1197-L1199 HydrophobicContact CG-CB 4.12Å; Y1197-L1199 HydrophobicContact CG-CD1 3.79Å; Y1197-L1199 HydrophobicContact CG-CG 4.2Å
1200	E	37.7	Very low	36.3	Very low	161.2 Å²	161.2	133.5 Å²	133.5	75%	0.753	73%	0.726	S	S	*	*			trans	-80.5	127.6	139.7	-78	126.5	-177.1	0	0	112.7
1201	E	39.3	Very low	36.5	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	73%	0.725	S	S	*	*				45.1	121	119	-64.9	-176.3	175.6	0	0	116	Y1203	E1201-Y1203 HydrophobicContact CB-CD2 4.36Å; E1201-Y1203 HydrophobicContact CB-CE2 4.25Å; E1201-Y1203 WeakPolarHBondContact OE2-CE2 3.12Å
1202	Q	36.8	Very low	36.7	Very low	156.2 Å²	156.2	138.5 Å²	138.5	73%	0.73	74%	0.737	S	S	*	*				180	122.2	116.9	-99	-177.2	-3.7	0	0	113.2	Y1197 L1204	Y1197-Q1202 PolarHBondContact OH-NE2 3.49Å; Q1202-L1204 PolarHBondContact O-N 3.45Å
1203	Y	37.5	Very low	37.1	Very low	194 Å²	194	136.5 Å²	136.5	76%	0.761	74%	0.737	S	S	*	*				-169.3	131.4	118.7	-106.6	-110	0	0	0	113.1	E1201 G1205	E1201-Y1203 HydrophobicContact CB-CD2 4.36Å; E1201-Y1203 HydrophobicContact CB-CE2 4.25Å; E1201-Y1203 WeakPolarHBondContact OE2-CE2 3.12Å; Y1203-G1205 PolarHBondContact O-N 3.47Å; Y1203-G1205 VanDerWaalsContact O-N 3.09Å
1204	L	37.4	Very low	37.2	Very low	151.6 Å²	151.6	140.4 Å²	140.4	79%	0.794	74%	0.742	S	S	*	*			trans	-19.6	105.6	158	-96.1	135.4	0	0	0	115.9	Q1202 L1206	Q1202-L1204 PolarHBondContact O-N 3.45Å; L1204-L1206 HydrophobicContact CD1-CD1 4.45Å; L1204-L1206 HydrophobicContact CD2-CD1 3.77Å; L1204-L1206 HydrophobicContact CD2-CD2 4.47Å; L1204-L1206 HydrophobicContact CD2-CG 4.1Å; L1204-L1206 PolarHBondContact O-N 3.06Å
1205	G	37.9	Very low	37.4	Very low	76.4 Å²	76.4	143.2 Å²	143.2	79%	0.788	74%	0.741	S	S	*	*			trans	-110.1	90	157.7	0	0	0	0	0	112.7	Y1203	Y1203-G1205 PolarHBondContact O-N 3.47Å; Y1203-G1205 VanDerWaalsContact O-N 3.09Å
1206	L	35.7	Very low	37.5	Very low	162.6 Å²	162.6	145.8 Å²	145.8	85%	0.851	75%	0.745	S	S	*	*			trans	-106.5	127.6	171.8	-79.1	178.1	0	0	0	111.3	L1204 L1208	L1204-L1206 HydrophobicContact CD1-CD1 4.45Å; L1204-L1206 HydrophobicContact CD2-CD1 3.77Å; L1204-L1206 HydrophobicContact CD2-CD2 4.47Å; L1204-L1206 HydrophobicContact CD2-CG 4.1Å; L1204-L1206 PolarHBondContact O-N 3.06Å; L1206-L1208 PolarHBondContact O-N 3.28Å
1207	A	37.2	Very low	37.5	Very low	84.4 Å²	84.4	148.3 Å²	148.3	70%	0.698	75%	0.749	S	S	*	*			trans	-156.6	123.2	151.5	0	0	0	0	0	112.4	D1209	A1207-D1209 PolarHBondContact O-N 2.85Å
1208	L	34.6	Very low	37.2	Very low	151.4 Å²	151.4	146.7 Å²	146.7	79%	0.793	75%	0.749	S	S	*	*				42.8	115.7	123.8	-59.7	178.1	0	0	0	115.8	L1206 V1210	L1206-L1208 PolarHBondContact O-N 3.28Å; L1208-V1210 VanDerWaalsContact C-N 3.33Å; L1208-V1210 HydrophobicContact CB-CG2 4.49Å; L1208-V1210 PolarHBondContact O-N 3.31Å
1209	D	36.4	Very low	37.1	Very low	145.8 Å²	145.8	151.2 Å²	151.2	78%	0.78	76%	0.76	S	S	*	*				-131.4	156.5	98.5	-110.6	-31.3	0	0	0	112.5	A1207 D1211	A1207-D1209 PolarHBondContact O-N 2.85Å; D1209-D1211 PolarHBondContact O-N 2.66Å
1210	V	40.3	Very low	37.2	Very low	119.2 Å²	119.2	153.2 Å²	153.2	72%	0.722	77%	0.766	S	S	*	*			trans	-47.4	104	171.2	-174.6	0	0	0	0	114.2	L1208 R1212	L1208-V1210 VanDerWaalsContact C-N 3.33Å; L1208-V1210 HydrophobicContact CB-CG2 4.49Å; L1208-V1210 PolarHBondContact O-N 3.31Å; V1210-R1212 PolarHBondContact O-N 3.16Å
1211	D	37.6	Very low	37.2	Very low	133.4 Å²	133.4	154.2 Å²	154.2	71%	0.713	77%	0.77	S	S	*	*			trans	-55.7	118.7	149.7	-97.9	-24	0	0	0	115.4	D1209 I1213	D1209-D1211 PolarHBondContact O-N 2.66Å; D1211-I1213 HydrophobicContact CB-CD1 4.32Å; D1211-I1213 PolarHBondContact O-N 2.95Å
1212	R	38.9	Very low	36.9	Very low	220 Å²	220	153.3 Å²	153.3	83%	0.83	77%	0.771	S	S	*	*				47.8	114.3	128.2	-112.8	176.8	-173.9	-163.2	-0.6	116.4	V1210 K1214	V1210-R1212 PolarHBondContact O-N 3.16Å; R1212-K1214 PolarHBondContact O-N 3.15Å
1213	I	39.4	Very low	36.9	Very low	143.4 Å²	143.4	153.6 Å²	153.6	74%	0.735	77%	0.772	S	S	*	*			trans	-87.5	118.3	150.3	-67.6	153.3	0	0	0	110.3	D1211 K1215	D1211-I1213 HydrophobicContact CB-CD1 4.32Å; D1211-I1213 PolarHBondContact O-N 2.95Å; I1213-K1215 HydrophobicContact CG2-CB 3.88Å; I1213-K1215 HydrophobicContact CG2-CG 3.98Å; I1213-K1215 PolarHBondContact O-N 2.58Å
1214	K	36.1	Very low	36.7	Very low	179 Å²	179	150.8 Å²	150.8	78%	0.778	77%	0.77	S	S	*	*			trans	-79.3	125.7	148.5	-78.6	-179	164.1	-143	0	111.8	R1212 D1216	R1212-K1214 PolarHBondContact O-N 3.15Å; K1214-D1216 IonicContact NZ-OD1 2.72Å; K1214-D1216 PolarHBondContact NZ-OD1 3.26Å; K1214-D1216 IonicContact NZ-OD2 3.05Å; K1214-D1216 PolarHBondContact NZ-OD2 2.87Å; K1214-D1216 PolarHBondContact O-N 3.3Å
1215	K	39.2	Very low	37	Very low	159 Å²	159	147.7 Å²	147.7	69%	0.691	76%	0.759	S	S	*	*			trans	-121.4	108.5	155.7	-105.4	178.1	178.3	-172.3	0	112.5	I1213 Q1217 E1218	I1213-K1215 HydrophobicContact CG2-CB 3.88Å; I1213-K1215 HydrophobicContact CG2-CG 3.98Å; I1213-K1215 PolarHBondContact O-N 2.58Å; K1215-Q1217 PolarHBondContact O-N 2.78Å; K1215-E1218 WeakPolarHBondContact CE-OE1 3.42Å; K1215-E1218 VanDerWaalsContact CE-OE2 3.27Å; K1215-E1218 WeakPolarHBondContact CE-OE2 3.46Å; K1215-E1218 IonicContact NZ-OE1 2.69Å; K1215-E1218 PolarHBondContact NZ-OE1 2.94Å; K1215-E1218 IonicContact NZ-OE2 2.62Å; K1215-E1218 PolarHBondContact NZ-OE2 3.29Å
1216	D	37	Very low	36.9	Very low	125.2 Å²	125.2	148.8 Å²	148.8	67%	0.67	75%	0.752	S	S	*	*			trans	-94.7	105.6	147.9	-56.5	-33.4	0	0	0	111.8	K1214	K1214-D1216 IonicContact NZ-OD1 2.72Å; K1214-D1216 PolarHBondContact NZ-OD1 3.26Å; K1214-D1216 IonicContact NZ-OD2 3.05Å; K1214-D1216 PolarHBondContact NZ-OD2 2.87Å; K1214-D1216 PolarHBondContact O-N 3.3Å
1217	Q	34.3	Very low	36.7	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	74%	0.744	S	S	*	*			trans	165	140	154.2	-93.5	166.7	-25.2	0	0	114.6	K1215	K1215-Q1217 PolarHBondContact O-N 2.78Å
1218	E	35.4	Very low	36.8	Very low	160 Å²	160	147.1 Å²	147.1	75%	0.748	75%	0.745	S	S	*	*			trans	2.4	127.5	150	-83.2	162.3	168.8	0	0	114.3	K1215	K1215-E1218 WeakPolarHBondContact CE-OE1 3.42Å; K1215-E1218 VanDerWaalsContact CE-OE2 3.27Å; K1215-E1218 WeakPolarHBondContact CE-OE2 3.46Å; K1215-E1218 IonicContact NZ-OE1 2.69Å; K1215-E1218 PolarHBondContact NZ-OE1 2.94Å; K1215-E1218 IonicContact NZ-OE2 2.62Å; K1215-E1218 PolarHBondContact NZ-OE2 3.29Å
1219	E	36.4	Very low	36.7	Very low	183.6 Å²	183.6	149.7 Å²	149.7	86%	0.858	75%	0.745	S	S	*	*				54.9	133.9	121.4	-76.1	-176.8	150.6	0	0	115	E1221	E1219-E1221 PolarHBondContact O-N 3.32Å
1220	E	36.2	Very low	36.5	Very low	182.2 Å²	182.2	150.3 Å²	150.3	85%	0.851	75%	0.747	S	S	*	*			trans	-26.4	136.7	160.5	-102	173.3	161.8	0	0	112.7	D1222	E1220-D1222 PolarHBondContact O-N 3.14Å
1221	E	36.7	Very low	36.3	Very low	181.8 Å²	181.8	149.8 Å²	149.8	85%	0.85	75%	0.749	S	S	*	*				-141.2	130.1	52.6	-141.4	177.8	-166	0	0	108.9	E1219	E1219-E1221 PolarHBondContact O-N 3.32Å
1222	D	34.9	Very low	36.5	Very low	139.6 Å²	139.6	152.8 Å²	152.8	75%	0.747	75%	0.75	S	S	*	*			trans	-65.5	137.7	171.3	-138	1	0	0	0	115	E1220	E1220-D1222 PolarHBondContact O-N 3.14Å
1223	Q	36.2	Very low	36.4	Very low	162.6 Å²	162.6	149.5 Å²	149.5	76%	0.76	74%	0.744	S	S	*	*			trans	-141.8	129.7	159.5	-68.8	-76.5	-63.3	0	0	114.5
1224	D	33.8	Very low	36.2	Very low	135.8 Å²	135.8	149 Å²	149	73%	0.726	74%	0.742	S	S	*	*			trans	-126.3	156.3	149.7	-108.7	-24.1	0	0	0	112.7
1225	P	42.8	Very low	36.4	Very low	86.4 Å²	86.4	145.8 Å²	145.8	56%	0.561	74%	0.738	S	S	*	*				-114.8	-178.8	-106.6	37.7	-26	0	0	0	113.9	D1356	P1225-D1356 WeakPolarHBondContact CA-O 3.13Å
1226	P	36.7	Very low	36.4	Very low	99.4 Å²	99.4	145.6 Å²	145.6	65%	0.645	74%	0.739	S	S	*	*				-137.5	151.5	59.6	36.5	-21.3	0	0	0	115.7	T1355 D1356	P1226-T1355 CarbonylContact C-O 3.04Å; P1226-T1355 VanDerWaalsContact CA-O 3.32Å; P1226-T1355 WeakPolarHBondContact CA-O 3.25Å; P1226-D1356 VanDerWaalsContact CA-C 3.43Å; P1226-D1356 VanDerWaalsContact CA-O 3.28Å; P1226-D1356 WeakPolarHBondContact CA-O 3.31Å
1227	C	30.9	Very low	36.5	Very low	99 Å²	99	145.2 Å²	145.2	67%	0.669	74%	0.741	S	S	*	*			trans	-142.1	152.2	168.1	-64.1	0	0	0	0	113.8	R1229 L1354 T1355 D1356 S1357	C1227-R1229 VanDerWaalsContact C-N 3.3Å; C1227-R1229 PolarHBondContact O-N 3.05Å; C1227-L1354 CarbonylContact C-O 3.18Å; C1227-L1354 VanDerWaalsContact C-O 3.26Å; C1227-L1354 HydrophobicContact CB-CB 3.38Å; C1227-T1355 PolarHBondContact N-O 2.73Å; C1227-T1355 PolarHBondContact SG-N 3.31Å; C1227-T1355 PolarHBondContact SG-O 3.29Å; C1227-D1356 PolarHBondContact O-N 3.42Å; C1227-S1357 PolarHBondContact O-N 3.3Å; C1227-S1357 VanDerWaalsContact O-N 3.11Å
1228	P	38.1	Very low	36.7	Very low	112.6 Å²	112.6	142.2 Å²	142.2	73%	0.731	73%	0.734	S	S	*	*			trans	-107	132.5	-137.6	24.5	-12.7	0	0	0	113.8	L1352	P1228-L1352 VanDerWaalsContact C-CD2 3.47Å
1229	R	33	Very low	36.8	Very low	206.6 Å²	206.6	142 Å²	142	78%	0.78	73%	0.733	S	S	*	*			trans	-177.6	133.9	155.1	-87.6	174.4	177.8	162.3	0.5	116.5	C1227 C1351	C1227-R1229 VanDerWaalsContact C-N 3.3Å; C1227-R1229 PolarHBondContact O-N 3.05Å; R1229-C1351 CarbonylContact O-C 3.39Å; R1229-C1351 VanDerWaalsContact O-CB 3.3Å; R1229-C1351 WeakPolarHBondContact O-CB 3.17Å; R1229-C1351 VanDerWaalsContact O-O 3.11Å
1230	L	32.3	Very low	37	Very low	157.6 Å²	157.6	138.4 Å²	138.4	83%	0.825	73%	0.725	S	S	*	*			trans	-168.6	115.9	157.3	-68.3	177.5	0	0	0	115.1	C1351	L1230-C1351 HydrophobicContact CB-CB 3.74Å
1231	S	36.2	Very low	36.8	Very low	109.2 Å²	109.2	138 Å²	138	76%	0.764	72%	0.724	S	S	*	*			trans	-107.6	136	164.6	34.7	0	0	0	0	113.3
1232	R	41.9	Very low	36.9	Very low	196.2 Å²	196.2	134.9 Å²	134.9	74%	0.74	72%	0.717	S	S	*	*			trans	-152	135.4	137.4	-143.5	177.2	-178.9	150	-4.2	113	S912 R913 E914 L915 T1347 P1348	S912-R1232 PolarHBondContact O-NH1 3.26Å; S912-R1232 PolarHBondContact O-NH2 2.62Å; R913-R1232 PolarHBondContact O-NE 2.81Å; R913-R1232 PolarHBondContact O-NH2 2.92Å; E914-R1232 WeakPolarHBondContact O-CD 2.99Å; E914-R1232 PolarHBondContact O-NE 3.42Å; L915-R1232 WeakPolarHBondContact CD1-O 3.15Å; L915-R1232 HydrophobicContact CG-CB 4.13Å; L915-R1232 VanDerWaalsContact CG-O 3.24Å; L915-R1232 WeakPolarHBondContact CG-O 3.24Å; R1232-T1347 VanDerWaalsContact NH1-CG2 3.25Å; R1232-P1348 VanDerWaalsContact CD-O 3.25Å; R1232-P1348 WeakPolarHBondContact CD-O 3.28Å; R1232-P1348 VanDerWaalsContact NH1-C 3.35Å; R1232-P1348 PolarHBondContact NH1-O 2.75Å
1233	E	37.5	Very low	36.9	Very low	150.2 Å²	150.2	135 Å²	135	70%	0.702	72%	0.716	S	S	*	*			trans	-115.6	136.2	164.1	-129.4	-170.4	168.4	0	0	112.8	E914 L915	E914-E1233 CarbonylContact C-O 3.59Å; E914-E1233 WeakPolarHBondContact CA-O 3.28Å; L915-E1233 PolarHBondContact N-O 2.75Å
1234	L	34.2	Very low	37	Very low	133 Å²	133	134.6 Å²	134.6	70%	0.696	71%	0.714	S	S	*	*				91.9	135	113.6	-100.9	101.1	0	0	0	115.7	L916	L916-L1234 HydrophobicContact CD1-CB 3.87Å; L916-L1234 HydrophobicContact CD1-CD1 4.02Å; L916-L1234 HydrophobicContact CD1-CG 3.47Å; L916-L1234 VanDerWaalsContact CD1-CG 3.47Å; L916-L1234 HydrophobicContact CD2-CD1 4.01Å; L916-L1234 HydrophobicContact CD2-CG 4.4Å; L916-L1234 HydrophobicContact CG-CB 4.09Å; L916-L1234 HydrophobicContact CG-CD1 3.66Å; L916-L1234 HydrophobicContact CG-CG 3.67Å
1235	V	40.4	Very low	37.1	Very low	112.4 Å²	112.4	134 Å²	134	68%	0.681	71%	0.711	S	S	*	*			trans	-156.4	124.5	141.1	157.1	0	0	0	0	111.7	E914 L915 L916 V1237	E914-V1235 HydrophobicContact CG-CB 4.12Å; E914-V1235 HydrophobicContact CG-CG2 3.67Å; L915-V1235 PolarHBondContact O-N 3.45Å; L916-V1235 VanDerWaalsContact CB-O 3.28Å; L916-V1235 WeakPolarHBondContact CB-O 3.42Å; L916-V1235 PolarHBondContact N-O 3.47Å; V1235-V1237 HydrophobicContact CG1-CG2 3.93Å
1236	E	38.9	Very low	36.7	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	72%	0.719	S	S	*	*			trans	-170.2	134.8	149.2	-114.5	-172.8	172.9	0	0	112.5	E918 K919	E918-E1236 HydrophobicContact CB-CB 4.23Å; E918-E1236 HydrophobicContact CB-CG 4.19Å; E918-E1236 VanDerWaalsContact OE2-CB 3.3Å; E918-E1236 WeakPolarHBondContact OE2-CB 3.14Å; E918-E1236 VanDerWaalsContact OE2-CG 3.27Å; E918-E1236 WeakPolarHBondContact OE2-CG 3.36Å; K919-E1236 WeakPolarHBondContact CE-OE1 3.47Å; K919-E1236 HydrophobicContact CG-CG 3.99Å; K919-E1236 IonicContact NZ-OE1 2.65Å; K919-E1236 PolarHBondContact NZ-OE1 2.73Å
1237	V	40.8	Very low	36.7	Very low	115.6 Å²	115.6	137.4 Å²	137.4	70%	0.701	73%	0.727	S	S	*	*			trans	168.1	123.2	135.2	167.3	0	0	0	0	114.6	E918 V1235 K1781	E918-V1237 PolarHBondContact O-N 2.81Å; V1235-V1237 HydrophobicContact CG1-CG2 3.93Å; V1237-K1781 HydrophobicContact CG2-CD 3.93Å; V1237-K1781 HydrophobicContact CG2-CG 4.43Å
1238	V	37	Very low	37	Very low	107.4 Å²	107.4	139.4 Å²	139.4	65%	0.651	73%	0.731	S	S	*	*			trans	-96.9	125.4	148.5	177	0	0	0	0	113.6	K919 E920 P921 E922 K1781	K919-V1238 WeakPolarHBondContact CB-O 3.15Å; E920-V1238 CarbonylContact C-O 3.56Å; E920-V1238 VanDerWaalsContact O-O 3.09Å; P921-V1238 WeakPolarHBondContact CA-O 3.14Å; P921-V1238 HydrophobicContact CB-CG1 3.92Å; E922-V1238 HydrophobicContact CB-CG1 3.37Å; E922-V1238 VanDerWaalsContact N-CG1 3.34Å; V1238-K1781 WeakPolarHBondContact O-CE 2.99Å; V1238-K1781 PolarHBondContact O-NZ 3.15Å
1239	E	37.4	Very low	37.1	Very low	156.2 Å²	156.2	144.8 Å²	144.8	73%	0.73	74%	0.736	S	S	*	*			trans	-120.5	149.8	144	-85.1	171.5	152.6	0	0	113.1	E922 K1783	E922-E1239 WeakPolarHBondContact CA-O 3.47Å; E922-E1239 PolarHBondContact N-O 3.4Å; E922-E1239 VanDerWaalsContact N-O 3.13Å; E1239-K1783 WeakPolarHBondContact OE1-CE 2.92Å; E1239-K1783 IonicContact OE1-NZ 2.71Å; E1239-K1783 PolarHBondContact OE1-NZ 3.19Å
1240	P	40.6	Very low	37.1	Very low	107.6 Å²	107.6	139.4 Å²	139.4	70%	0.699	73%	0.73	S	S	*	*			trans	-115.4	168.4	-171.6	37.2	-27.7	0	0	0	114.6
1241	E	33.3	Very low	37.3	Very low	174.4 Å²	174.4	141.8 Å²	141.8	82%	0.815	73%	0.729	S	S	*	*			trans	-109.5	148	166.4	-73.9	-167.7	-174.3	0	0	112.4	V923 L924	V923-E1241 HydrophobicContact CB-CB 4.43Å; V923-E1241 HydrophobicContact CG1-CB 3.72Å; L924-E1241 PolarHBondContact N-O 3.35Å
1242	V	38.3	Very low	37.2	Very low	116.2 Å²	116.2	140.3 Å²	140.3	70%	0.704	72%	0.719	S	S	*	*				-154.7	139.5	97.5	-122.9	0	0	0	0	113.3	L924 Q925	L924-V1242 WeakPolarHBondContact CD2-O 3.3Å; Q925-V1242 HydrophobicContact CG-CB 3.54Å; Q925-V1242 HydrophobicContact CG-CG1 3.6Å
1243	L	34.8	Very low	36.8	Very low	141.2 Å²	141.2	135.4 Å²	135.4	74%	0.739	71%	0.711	S	S	*	*			trans	-100.3	139.5	147.8	-77.6	172.9	0	0	0	113.1	L924	L924-L1243 WeakPolarHBondContact CB-O 3.35Å; L924-L1243 WeakPolarHBondContact CD1-O 3.05Å; L924-L1243 HydrophobicContact CD2-CB 4.32Å; L924-L1243 VanDerWaalsContact CD2-O 3.28Å; L924-L1243 WeakPolarHBondContact CD2-O 3.32Å; L924-L1243 WeakPolarHBondContact CG-O 3.28Å
1244	Q	38.7	Very low	36.6	Very low	153.8 Å²	153.8	132.2 Å²	132.2	72%	0.719	70%	0.703	S	S	*	*				136.8	137.5	122.6	-84.1	156.5	-13.5	0	0	112.9	Q925 S927	Q925-Q1244 VanDerWaalsContact OE1-CD 3.22Å; Q925-Q1244 VanDerWaalsContact OE1-NE2 3.15Å; S927-Q1244 PolarHBondContact OG-NE2 2.92Å
1245	D	34.6	Very low	36.6	Very low	124.2 Å²	124.2	130.1 Å²	130.1	66%	0.664	70%	0.699	S	S	*	*				-60	160.7	107.6	-75.2	-44.2	0	0	0	116.5	L928 L1247	L928-D1245 HydrophobicContact CB-CB 4.15Å; L928-D1245 HydrophobicContact CD1-CB 4.11Å; L928-D1245 HydrophobicContact CG-CB 4.16Å; L928-D1245 PolarHBondContact N-OD1 3.29Å; L928-D1245 PolarHBondContact N-OD2 2.79Å; D1245-L1247 PolarHBondContact O-N 2.88Å
1246	S	35.3	Very low	36.2	Very low	102.6 Å²	102.6	129.2 Å²	129.2	72%	0.717	70%	0.698	S	S	*	*			trans	-146.5	128.8	178.2	49.5	0	0	0	0	113.1
1247	L	37	Very low	35.9	Very low	154.2 Å²	154.2	126.6 Å²	126.6	81%	0.807	70%	0.696	S	S	*	*			trans	-124.7	125	158.8	-78.5	176.6	0	0	0	112.5	L928 D1245	L928-L1247 HydrophobicContact CD1-CD2 3.83Å; D1245-L1247 PolarHBondContact O-N 2.88Å
1248	D	36.5	Very low	35.6	Very low	142 Å²	142	127.4 Å²	127.4	76%	0.759	70%	0.695	S	S	*	*			trans	-120.7	148.4	139.8	-130.2	-17.6	0	0	0	112.8
1249	R	39.7	Very low	35.5	Very low	224.4 Å²	224.4	129.3 Å²	129.3	85%	0.847	70%	0.697	S	S	*	*			trans	131.3	123.2	162	-92.8	177.4	178.9	169.8	1.9	116.6
1250	C	33.1	Very low	35.5	Very low	94.4 Å²	94.4	129.4 Å²	129.4	64%	0.638	70%	0.698	S	S	*	*			trans	-135.7	148	135.1	-79.6	0	0	0	0	111.4
1251	Y	37.6	Very low	35.2	Very low	207.4 Å²	207.4	128.8 Å²	128.8	81%	0.813	69%	0.694	S	S	*	*				-130.1	127.4	128.1	-88.9	-68.2	0	0	0	109.4
1252	S	33	Very low	35.3	Very low	77.4 Å²	77.4	127.1 Å²	127.1	54%	0.541	69%	0.691	S	S	.	*			trans	-91.4	149.8	164.1	-69.8	0	0	0	0	113.6	E1032 K1033 H1034	E1032-S1252 CarbonylContact C-O 3.22Å; E1032-S1252 VanDerWaalsContact C-O 3.3Å; E1032-S1252 VanDerWaalsContact CA-O 3.28Å; E1032-S1252 WeakPolarHBondContact CA-O 3.25Å; K1033-S1252 VanDerWaalsContact C-CB 3.46Å; K1033-S1252 PolarHBondContact N-O 3.44Å; K1033-S1252 WeakPolarHBondContact O-CB 3.48Å; H1034-S1252 PolarHBondContact CE1-OG 3.39Å; H1034-S1252 VanDerWaalsContact CE1-OG 3.23Å; H1034-S1252 VanDerWaalsContact CG-CB 3.48Å; H1034-S1252 VanDerWaalsContact ND1-CB 3.25Å; H1034-S1252 WeakPolarHBondContact ND1-CB 3.22Å; H1034-S1252 PolarHBondContact ND1-OG 2.73Å
1253	T	34	Very low	34.9	Very low	94 Å²	94	126.6 Å²	126.6	58%	0.577	69%	0.692	S	S	*	*			trans	-128.2	155.6	-176.5	1.7	0	0	0	0	110.9	L1030 E1031 E1032	L1030-T1253 HydrophobicContact CB-CG2 3.69Å; L1030-T1253 WeakPolarHBondContact CB-O 3.29Å; L1030-T1253 WeakPolarHBondContact CD2-O 3.35Å; E1031-T1253 VanDerWaalsContact CA-CG2 3.47Å; E1031-T1253 VanDerWaalsContact N-C 3.32Å; E1031-T1253 VanDerWaalsContact OE1-CG2 3.22Å; E1031-T1253 WeakPolarHBondContact OE1-CG2 3.28Å; E1032-T1253 HydrophobicContact CG-CG2 4.14Å
1254	P	33.1	Very low	34.9	Very low	82.8 Å²	82.8	125.5 Å²	125.5	54%	0.538	70%	0.695	S	S	.	*				-131.6	153.6	107.6	38.6	-23.7	0	0	0	116.1	E1031 V1196 Y1197 S1198	E1031-P1254 VanDerWaalsContact C-CD 3.41Å; E1031-P1254 VanDerWaalsContact N-C 3.3Å; E1031-P1254 VanDerWaalsContact N-N 3.14Å; E1031-P1254 CarbonylContact O-C 3.14Å; E1031-P1254 WeakPolarHBondContact O-CD 3.32Å; V1196-P1254 HydrophobicContact CG1-CB 3.65Å; V1196-P1254 HydrophobicContact CG1-CG 3.47Å; V1196-P1254 VanDerWaalsContact CG1-CG 3.47Å; Y1197-P1254 WeakPolarHBondContact O-CG 3.49Å; S1198-P1254 WeakPolarHBondContact CB-O 3.38Å; S1198-P1254 VanDerWaalsContact OG-CG 3.31Å; S1198-P1254 WeakPolarHBondContact OG-CG 3.09Å; S1198-P1254 PolarHBondContact OG-O 3.09Å
1255	S	33.9	Very low	34.5	Very low	88 Å²	88	125.9 Å²	125.9	62%	0.615	70%	0.697	S	S	*	*			trans	59.2	125.6	142.4	33.3	0	0	0	0	118.7	A1029 L1030 S1198	A1029-S1255 CarbonylContact C-O 3.59Å; L1030-S1255 VanDerWaalsContact C-N 3.32Å; L1030-S1255 VanDerWaalsContact N-C 3.3Å; L1030-S1255 PolarHBondContact N-O 3.49Å; L1030-S1255 VanDerWaalsContact N-O 3.07Å; S1198-S1255 VanDerWaalsContact CB-O 3.24Å; S1198-S1255 WeakPolarHBondContact CB-O 3.35Å; S1198-S1255 PolarHBondContact N-O 2.8Å
1256	S	33.2	Very low	34.5	Very low	94.8 Å²	94.8	124.7 Å²	124.7	66%	0.663	70%	0.696	S	S	*	*				142	154.6	81.1	62.2	0	0	0	0	115.3	Y1028 A1029	Y1028-S1256 CarbonylContact C-O 3.45Å; Y1028-S1256 CarbonylContact O-C 3.51Å; A1029-S1256 PolarHBondContact N-O 3.23Å
1257	C	31.2	Very low	34.2	Very low	100 Å²	100	129.7 Å²	129.7	68%	0.676	70%	0.701	S	S	*	*				91.4	127.5	127	18.9	0	0	0	0	118.3	Y1028 Y1182	Y1028-C1257 WeakPolarHBondContact CB-O 3.3Å; Y1028-C1257 CarbonylContact O-C 3.46Å; Y1028-C1257 VanDerWaalsContact O-C 3.31Å; Y1028-C1257 PolarHBondContact O-N 2.8Å; Y1182-C1257 HydrophobicContact CD1-CB 4.26Å; Y1182-C1257 HydrophobicContact CE1-CB 3.61Å
1258	L	35.6	Very low	34.1	Very low	132 Å²	132	125.5 Å²	125.5	69%	0.691	69%	0.694	S	S	*	*			trans	116.1	148.3	139.8	-85.3	166.3	0	0	0	116	F1027 Y1028	F1027-L1258 WeakPolarHBondContact O-CA 3.33Å; F1027-L1258 PolarHBondContact O-N 3.43Å; Y1028-L1258 VanDerWaalsContact CD2-O 3.26Å; Y1028-L1258 WeakPolarHBondContact CD2-O 3.4Å; Y1028-L1258 PolarHBondContact O-N 3.28Å
1259	E	34.5	Very low	33.8	Very low	148.6 Å²	148.6	123.5 Å²	123.5	69%	0.694	69%	0.692	S	S	*	*			trans	67.5	112.3	151	-79.5	-175.8	142.5	0	0	118	F1027	F1027-E1259 WeakPolarHBondContact CB-O 2.85Å; F1027-E1259 WeakPolarHBondContact CD2-O 2.95Å
1260	Q	36.7	Very low	33.5	Very low	157.4 Å²	157.4	117.7 Å²	117.7	74%	0.736	69%	0.685	S	S	*	*			trans	-79.3	149.2	140.3	-76.1	-170.3	-65.5	0	0	113	G1024 S1025 S1026	G1024-Q1260 PolarHBondContact O-NE2 3.06Å; S1025-Q1260 WeakPolarHBondContact O-CG 3.11Å; S1025-Q1260 PolarHBondContact O-NE2 3.24Å; S1025-Q1260 PolarHBondContact OG-NE2 2.78Å; S1026-Q1260 WeakPolarHBondContact OG-CA 3.23Å; S1026-Q1260 WeakPolarHBondContact OG-CG 3.47Å; S1026-Q1260 PolarHBondContact OG-N 2.83Å
1261	P	35.9	Very low	33.5	Very low	95.2 Å²	95.2	121.9 Å²	121.9	62%	0.618	69%	0.693	S	S	*	*				-136.7	156.3	75.5	39.5	-24.1	0	0	0	115.9
1262	D	34.6	Very low	33.3	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	69%	0.694	S	S	*	*			trans	68.5	130.2	147.2	-77.8	-30.2	0	0	0	118.5
1263	S	30.5	Very low	33.6	Very low	105.6 Å²	105.6	122.4 Å²	122.4	74%	0.738	70%	0.701	S	S	*	*				158.3	150	114.1	69.3	0	0	0	0	113.6
1264	C	33.4	Very low	33.6	Very low	118.6 Å²	118.6	125.2 Å²	125.2	80%	0.801	71%	0.712	S	S	*	*			trans	-52.9	109.3	172	-71	0	0	0	0	116.1
1265	Q	31.5	Very low	33.9	Very low	160.6 Å²	160.6	128.8 Å²	128.8	75%	0.75	72%	0.721	S	S	*	*			trans	-24.6	142	134.3	-79.1	-83	-30.3	0	0	113.1	Y1267	Q1265-Y1267 HydrophobicContact CB-CD2 4.45Å; Q1265-Y1267 HydrophobicContact CG-CD2 4.43Å; Q1265-Y1267 PolarHBondContact O-N 2.65Å
1266	P	34.9	Very low	34.1	Very low	99.6 Å²	99.6	132.5 Å²	132.5	65%	0.647	73%	0.729	S	S	*	*				-125.7	168.3	81.2	31.2	-13.8	0	0	0	114.8	G1268	P1266-G1268 VanDerWaalsContact C-N 3.3Å; P1266-G1268 PolarHBondContact O-N 2.98Å
1267	Y	28.5	Very low	34.2	Very low	208.4 Å²	208.4	135.3 Å²	135.3	82%	0.817	73%	0.729	S	S	*	*			trans	72.9	118.4	163	-101.3	-92.2	0	0	0	116.6	Q1265 S1269 Y1589	Q1265-Y1267 HydrophobicContact CB-CD2 4.45Å; Q1265-Y1267 HydrophobicContact CG-CD2 4.43Å; Q1265-Y1267 PolarHBondContact O-N 2.65Å; Y1267-S1269 PolarHBondContact O-N 3.48Å; Y1267-Y1589 HydrophobicContact CE1-CE1 4.27Å
1268	G	35	Very low	34.5	Very low	65.8 Å²	65.8	138.8 Å²	138.8	68%	0.678	74%	0.735	S	S	*	*			trans	105	106.6	169.7	0	0	0	0	0	115.1	P1266 S1270	P1266-G1268 VanDerWaalsContact C-N 3.3Å; P1266-G1268 PolarHBondContact O-N 2.98Å; G1268-S1270 PolarHBondContact O-N 3.07Å; G1268-S1270 VanDerWaalsContact O-N 3.08Å
1269	S	29.8	Very low	34.4	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	74%	0.739	S	S	*	*			trans	11.3	112.8	134.3	66.7	0	0	0	0	115.6	Y1267 Y1589	Y1267-S1269 PolarHBondContact O-N 3.48Å; S1269-Y1589 PolarHBondContact OG-OH 2.92Å; S1269-Y1589 VanDerWaalsContact OG-OH 3.08Å
1270	S	33.2	Very low	34.5	Very low	102.8 Å²	102.8	134.6 Å²	134.6	72%	0.719	74%	0.738	S	S	*	*			trans	144.4	142.1	155.3	67.4	0	0	0	0	114.5	G1268	G1268-S1270 PolarHBondContact O-N 3.07Å; G1268-S1270 VanDerWaalsContact O-N 3.08Å
1271	F	33.4	Very low	34.4	Very low	181.4 Å²	181.4	135.2 Å²	135.2	80%	0.796	74%	0.738	S	S	*	*			cis	-133.5	148.9	-18.1	-92.9	-84.1	0	0	0	112.4	A1273	F1271-A1273 PolarHBondContact O-N 3.47Å
1272	Y	34.1	Very low	34.4	Very low	212.4 Å²	212.4	135.1 Å²	135.1	83%	0.833	74%	0.74	S	S	*	*			trans	76.7	129.6	142.6	-73.2	-66	0	0	0	116.7	L1274	Y1272-L1274 PolarHBondContact O-N 3.14Å
1273	A	37.7	Very low	34.4	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	74%	0.741	S	S	*	*			trans	168.3	131.5	161.2	0	0	0	0	0	112	F1271 E1275	F1271-A1273 PolarHBondContact O-N 3.47Å; A1273-E1275 PolarHBondContact O-N 3.39Å; A1273-E1275 VanDerWaalsContact O-N 3.12Å
1274	L	35.2	Very low	34.8	Very low	152.6 Å²	152.6	137.1 Å²	137.1	80%	0.799	74%	0.742	S	S	*	*				-162.8	137.4	57	-83.8	169.9	0	0	0	112.3	Y1272 E1276	Y1272-L1274 PolarHBondContact O-N 3.14Å; L1274-E1276 PolarHBondContact O-N 3.05Å
1275	E	38.2	Very low	35.1	Very low	157.8 Å²	157.8	137.3 Å²	137.3	74%	0.737	74%	0.739	S	S	*	*			trans	154.6	131.6	157.2	-83.8	-173.8	-178	0	0	110.9	A1273 K1277	A1273-E1275 PolarHBondContact O-N 3.39Å; A1273-E1275 VanDerWaalsContact O-N 3.12Å; E1275-K1277 PolarHBondContact O-N 3.03Å; E1275-K1277 IonicContact OE1-NZ 3.87Å; E1275-K1277 PolarHBondContact OE1-NZ 3.21Å; E1275-K1277 WeakPolarHBondContact OE2-CE 3.28Å; E1275-K1277 IonicContact OE2-NZ 2.98Å; E1275-K1277 PolarHBondContact OE2-NZ 3.04Å
1276	E	38	Very low	35.4	Very low	166.4 Å²	166.4	133.1 Å²	133.1	78%	0.778	74%	0.738	S	S	*	*			cis	-131.5	130.4	43.9	-152.5	-174.9	173.5	0	0	110.2	L1274	L1274-E1276 PolarHBondContact O-N 3.05Å
1277	K	36.6	Very low	35.6	Very low	152.6 Å²	152.6	136.7 Å²	136.7	66%	0.663	75%	0.747	S	S	*	*			trans	104.1	113.7	139.4	-71.4	176.8	-179.1	160.7	0	114.2	E1275 V1279	E1275-K1277 PolarHBondContact O-N 3.03Å; E1275-K1277 IonicContact OE1-NZ 3.87Å; E1275-K1277 PolarHBondContact OE1-NZ 3.21Å; E1275-K1277 WeakPolarHBondContact OE2-CE 3.28Å; E1275-K1277 IonicContact OE2-NZ 2.98Å; E1275-K1277 PolarHBondContact OE2-NZ 3.04Å; K1277-V1279 PolarHBondContact O-N 2.83Å
1278	H	37	Very low	36.3	Very low	173.8 Å²	173.8	133.3 Å²	133.3	81%	0.805	74%	0.741	S	S	*	*			trans	-25	128.4	158.2	-72.2	-80.4	0	0	0	113.3
1279	V	34.2	Very low	36.4	Very low	126 Å²	126	136.6 Å²	136.6	76%	0.764	74%	0.739	S	S	*	*				-141.1	123.1	126.5	172.2	0	0	0	0	108.1	K1277 F1281	K1277-V1279 PolarHBondContact O-N 2.83Å; V1279-F1281 HydrophobicContact CB-CE2 4.14Å; V1279-F1281 HydrophobicContact CG1-CD2 4.36Å; V1279-F1281 HydrophobicContact CG1-CE2 3.95Å; V1279-F1281 HydrophobicContact CG1-CZ 4.18Å; V1279-F1281 PolarHBondContact O-N 3.1Å
1280	G	36	Very low	36.9	Very low	65.8 Å²	65.8	138.9 Å²	138.9	68%	0.678	74%	0.737	S	S	*	*			trans	-179.3	109.1	162.9	0	0	0	0	0	111.7
1281	F	34.2	Very low	37.2	Very low	170.4 Å²	170.4	142.8 Å²	142.8	75%	0.747	74%	0.74	S	S	*	*			trans	-29	135.9	153.7	-67.2	-92.2	0	0	0	112.5	V1279	V1279-F1281 HydrophobicContact CB-CE2 4.14Å; V1279-F1281 HydrophobicContact CG1-CD2 4.36Å; V1279-F1281 HydrophobicContact CG1-CE2 3.95Å; V1279-F1281 HydrophobicContact CG1-CZ 4.18Å; V1279-F1281 PolarHBondContact O-N 3.1Å
1282	S	35.6	Very low	37.5	Very low	92.8 Å²	92.8	137.7 Å²	137.7	65%	0.649	74%	0.739	S	S	*	*				133.9	144.6	96.2	-68.8	0	0	0	0	114.4	E974 D1284	E974-S1282 WeakPolarHBondContact CA-OG 3.44Å; E974-S1282 PolarHBondContact N-OG 3.17Å; E974-S1282 WeakPolarHBondContact O-CB 3.26Å; E974-S1282 PolarHBondContact O-OG 2.86Å; S1282-D1284 PolarHBondContact O-N 3.06Å
1283	L	35.6	Very low	37.7	Very low	147.6 Å²	147.6	137.8 Å²	137.8	77%	0.773	74%	0.744	S	S	*	*			trans	39.5	130.7	150.1	-79.8	169.1	0	0	0	118.7	V1285	L1283-V1285 HydrophobicContact CD2-CG2 3.56Å
1284	D	38.7	Very low	37.7	Very low	139.6 Å²	139.6	137.1 Å²	137.1	75%	0.747	75%	0.745	S	S	*	*			trans	102.2	139.8	130.8	-115.4	-12.5	0	0	0	120.2	S1282 G1286	S1282-D1284 PolarHBondContact O-N 3.06Å; D1284-G1286 PolarHBondContact O-N 3.29Å
1285	V	40	Very low	38	Very low	123 Å²	123	139.6 Å²	139.6	75%	0.745	75%	0.749	S	S	*	*			trans	48.1	108.7	159.3	-176.2	0	0	0	0	117.4	L1283 E1287	L1283-V1285 HydrophobicContact CD2-CG2 3.56Å; V1285-E1287 HydrophobicContact CG1-CG 4.13Å; V1285-E1287 PolarHBondContact O-N 3.18Å
1286	G	38.1	Very low	38.1	Very low	71.4 Å²	71.4	141.2 Å²	141.2	74%	0.736	75%	0.754	S	S	*	*			trans	-166.9	103.1	156.6	0	0	0	0	0	113.9	D1284 I1288	D1284-G1286 PolarHBondContact O-N 3.29Å; G1286-I1288 PolarHBondContact O-N 2.81Å
1287	E	37.7	Very low	38	Very low	176.6 Å²	176.6	144.4 Å²	144.4	83%	0.825	76%	0.759	S	S	*	*			trans	-45.1	143.6	139.5	-100.6	-162.5	176.9	0	0	114.5	V1285	V1285-E1287 HydrophobicContact CG1-CG 4.13Å; V1285-E1287 PolarHBondContact O-N 3.18Å
1288	I	43.1	Very low	38.1	Very low	137.4 Å²	137.4	148.1 Å²	148.1	71%	0.705	77%	0.769	S	S	*	*			trans	152.9	128	141.4	11.3	170.5	0	0	0	115.7	G1286 K1290	G1286-I1288 PolarHBondContact O-N 2.81Å; I1288-K1290 HydrophobicContact CD1-CD 4.16Å; I1288-K1290 VanDerWaalsContact CD1-NZ 3.3Å; I1288-K1290 PolarHBondContact O-N 3.49Å
1289	E	37.6	Very low	38.2	Very low	134.2 Å²	134.2	142.8 Å²	142.8	63%	0.627	76%	0.761	S	S	*	*			trans	56.4	116.6	130.8	-79.8	-157.4	126.2	0	0	119.2	R1552	E1289-R1552 IonicContact OE1-NH1 3.12Å; E1289-R1552 PolarHBondContact OE1-NH1 3.25Å
1290	K	39.9	Very low	38.4	Very low	148.8 Å²	148.8	147 Å²	147	65%	0.647	76%	0.763	S	S	*	*			trans	38.9	106.8	137.7	-67.6	167.7	-164.1	158.1	0	118.8	I1288 G1292	I1288-K1290 HydrophobicContact CD1-CD 4.16Å; I1288-K1290 VanDerWaalsContact CD1-NZ 3.3Å; I1288-K1290 PolarHBondContact O-N 3.49Å; K1290-G1292 PolarHBondContact O-N 3.15Å; K1290-G1292 VanDerWaalsContact O-N 3.16Å
1291	K	39.9	Very low	38.6	Very low	184 Å²	184	153.8 Å²	153.8	80%	0.8	77%	0.768	S	S	*	*			trans	131.1	118	136	-76.4	155.9	-170.4	165.9	0	114.9
1292	G	39.2	Very low	38.7	Very low	74.8 Å²	74.8	150.4 Å²	150.4	77%	0.771	77%	0.765	S	S	*	*			trans	-170.7	57.6	169.5	0	0	0	0	0	118.4	K1290 G1294	K1290-G1292 PolarHBondContact O-N 3.15Å; K1290-G1292 VanDerWaalsContact O-N 3.16Å; G1292-G1294 VanDerWaalsContact O-CA 3.31Å; G1292-G1294 WeakPolarHBondContact O-CA 3.35Å; G1292-G1294 PolarHBondContact O-N 3.15Å
1293	K	39.1	Very low	39	Very low	214.4 Å²	214.4	155.1 Å²	155.1	93%	0.932	77%	0.774	S	S	*	*			trans	-38.4	113.9	176.1	-64	175.7	-179.6	173.5	0	114.3
1294	G	37.7	Very low	39.1	Very low	69.6 Å²	69.6	156.7 Å²	156.7	72%	0.718	78%	0.775	S	S	*	*				117.7	142.2	106.7	0	0	0	0	0	116.4	G1292	G1292-G1294 VanDerWaalsContact O-CA 3.31Å; G1292-G1294 WeakPolarHBondContact O-CA 3.35Å; G1292-G1294 PolarHBondContact O-N 3.15Å
1295	K	42.3	Very low	39	Very low	205.2 Å²	205.2	157 Å²	157	89%	0.892	77%	0.772	S	S	*	*			trans	-145.8	104.5	153.6	-81	175	-179.6	176.8	0	111
1296	K	39.4	Very low	38.9	Very low	191 Å²	191	161.7 Å²	161.7	83%	0.83	78%	0.776	S	S	*	*				23.8	119.2	118.4	-73.6	172	-177.1	173.5	0	112.3
1297	R	36.3	Very low	38.9	Very low	232.8 Å²	232.8	168.8 Å²	168.8	88%	0.878	78%	0.781	S	S	*	*				-164.7	136.8	106.6	-89.7	-178.7	160.9	-173.6	-0.6	109.5
1298	R	38.7	Very low	38.8	Very low	231.6 Å²	231.6	172.2 Å²	172.2	87%	0.874	79%	0.786	S	S	*	*			trans	-71.1	132.6	170	-69.9	170.4	171.8	-179.7	-3.9	110.6
1299	G	38	Very low	38.5	Very low	61.8 Å²	61.8	169.1 Å²	169.1	64%	0.637	79%	0.788	S	S	*	*			cis	137.3	137.3	43	0	0	0	0	0	113.2	K1051	K1051-G1299 PolarHBondContact NZ-O 2.73Å
1300	R	40.4	Very low	38.6	Very low	215.2 Å²	215.2	173.6 Å²	173.6	81%	0.812	80%	0.799	S	S	*	*			trans	78	130.8	166.2	-62.9	178.2	175	-157	-3.3	111.9	K1051 E1952 E1953 D1954	K1051-R1300 PolarHBondContact NZ-O 2.74Å; R1300-E1952 CarbonylContact O-C 3.08Å; R1300-E1953 PolarHBondContact O-N 3.29Å; R1300-D1954 IonicContact CZ-OD2 2.76Å; R1300-D1954 PolarHBondContact NH1-O 3.26Å; R1300-D1954 IonicContact NH1-OD2 3.8Å; R1300-D1954 PolarHBondContact NH1-OD2 3.41Å
1301	R	38.7	Very low	38.5	Very low	207.8 Å²	207.8	175 Å²	175	78%	0.784	81%	0.805	S	S	*	*			cis	-162.5	156.2	14.3	-93.7	175.9	175.3	165.2	-2.6	109.5	E1951 E1952 E1953 D1954	R1301-E1951 WeakPolarHBondContact O-CA 3.31Å; R1301-E1952 WeakPolarHBondContact CB-O 3.06Å; R1301-E1952 WeakPolarHBondContact CD-O 3.2Å; R1301-E1952 VanDerWaalsContact CG-O 3.32Å; R1301-E1952 WeakPolarHBondContact CG-O 3.28Å; R1301-E1952 VanDerWaalsContact N-CA 3.35Å; R1301-E1952 PolarHBondContact N-O 2.65Å; R1301-E1953 WeakPolarHBondContact CD-O 3.29Å; R1301-E1953 VanDerWaalsContact CG-O 3.23Å; R1301-E1953 WeakPolarHBondContact CG-O 3.46Å; R1301-E1953 VanDerWaalsContact CZ-O 3.3Å; R1301-E1953 PolarHBondContact NE-O 3.19Å; R1301-E1953 PolarHBondContact NH1-O 3.31Å; R1301-D1954 HydrophobicContact CG-CB 4.15Å; R1301-D1954 IonicContact CZ-OD1 2.69Å; R1301-D1954 IonicContact NH1-OD1 3.67Å; R1301-D1954 PolarHBondContact NH1-OD1 2.79Å; R1301-D1954 IonicContact NH2-OD1 2.73Å; R1301-D1954 PolarHBondContact NH2-OD1 3.34Å; R1301-D1954 IonicContact NH2-OD2 3.19Å
1302	S	36.5	Very low	38.3	Very low	99 Å²	99	173.9 Å²	173.9	69%	0.692	80%	0.803	S	S	*	*				-164.7	135.3	81.8	67.5	0	0	0	0	111.6	E1950 E1951	S1302-E1950 WeakPolarHBondContact CA-O 3.32Å; S1302-E1951 CarbonylContact C-O 3.36Å; S1302-E1951 VanDerWaalsContact C-O 3.3Å; S1302-E1951 WeakPolarHBondContact CA-O 3.41Å
1303	K	42.5	Very low	38.2	Very low	191.6 Å²	191.6	173.6 Å²	173.6	83%	0.833	80%	0.8	S	S	*	*			trans	-133.6	125.2	166.7	-79.2	178.2	179.1	-179.5	0	110.2	E1951	K1303-E1951 PolarHBondContact N-O 3.28Å
1304	K	37.1	Very low	38.1	Very low	181 Å²	181	171.1 Å²	171.1	79%	0.787	79%	0.792	S	S	*	*				93.5	114.2	67.2	-134	-174.9	163.1	-154.7	0	112.1
1305	E	36.9	Very low	38.1	Very low	146 Å²	146	175.3 Å²	175.3	68%	0.682	79%	0.792	S	S	*	*			trans	105.9	137.5	147.2	-134.8	166.5	157.5	0	0	116.7
1306	R	38.2	Very low	37.8	Very low	221 Å²	221	171.8 Å²	171.8	83%	0.834	78%	0.783	S	S	*	*				-146.8	125.2	119.3	-109.7	162.1	113	171.1	3.1	109.5
1307	R	37.1	Very low	37.8	Very low	221.8 Å²	221.8	170.2 Å²	170.2	84%	0.837	78%	0.779	S	S	*	*				55.9	112	121.8	-69	-175	174.4	178.6	-2.1	115.1	G1309	R1307-G1309 PolarHBondContact O-N 2.79Å
1308	R	36.2	Very low	37.7	Very low	247.2 Å²	247.2	165 Å²	165	93%	0.933	77%	0.769	S	S	*	*				152.6	110.5	109.2	-79.3	177.9	173.2	-174.7	-2.8	112.4
1309	G	36.6	Very low	37.8	Very low	73 Å²	73	159.3 Å²	159.3	75%	0.753	76%	0.762	S	S	*	*			trans	-176.6	117.9	144.5	0	0	0	0	0	110.7	R1307	R1307-G1309 PolarHBondContact O-N 2.79Å
1310	R	40.3	Very low	37.9	Very low	228.2 Å²	228.2	162.1 Å²	162.1	86%	0.861	77%	0.768	S	S	*	*				61.6	123.7	125	-124.7	-171.8	-176.2	-170.4	2.1	112.5	E1312	R1310-E1312 VanDerWaalsContact CG-OE1 3.24Å; R1310-E1312 WeakPolarHBondContact CG-OE1 3.17Å; R1310-E1312 IonicContact CZ-OE1 3.63Å; R1310-E1312 IonicContact NE-OE1 2.86Å; R1310-E1312 PolarHBondContact NE-OE1 2.83Å; R1310-E1312 IonicContact NH1-OE1 2.64Å; R1310-E1312 IonicContact NH2-OE1 3.57Å; R1310-E1312 PolarHBondContact O-N 3.33Å
1311	K	37	Very low	37.3	Very low	177.6 Å²	177.6	156.6 Å²	156.6	77%	0.772	76%	0.762	S	S	*	*				-18.1	141.6	121.9	-70.5	-176.3	162.7	-134.4	0	113.6
1312	E	37.1	Very low	37.3	Very low	162 Å²	162	151.8 Å²	151.8	76%	0.757	76%	0.758	S	S	*	*				-147.7	141.1	99	-89.5	144.2	-154.1	0	0	107.7	R1310	R1310-E1312 VanDerWaalsContact CG-OE1 3.24Å; R1310-E1312 WeakPolarHBondContact CG-OE1 3.17Å; R1310-E1312 IonicContact CZ-OE1 3.63Å; R1310-E1312 IonicContact NE-OE1 2.86Å; R1310-E1312 PolarHBondContact NE-OE1 2.83Å; R1310-E1312 IonicContact NH1-OE1 2.64Å; R1310-E1312 IonicContact NH2-OE1 3.57Å; R1310-E1312 PolarHBondContact O-N 3.33Å
1313	G	35.3	Very low	37.2	Very low	67.2 Å²	67.2	156.9 Å²	156.9	69%	0.693	76%	0.761	S	S	*	*			trans	147.3	136.3	157.7	0	0	0	0	0	111.5	S767	S767-G1313 PolarHBondContact OG-O 2.95Å
1314	E	38.1	Very low	36.7	Very low	163.4 Å²	163.4	154.3 Å²	154.3	76%	0.764	76%	0.756	S	S	*	*			cis	169.3	121.2	22.5	-152.5	168.7	-176.4	0	0	109.3	T765 P766 S767 S768	T765-E1314 WeakPolarHBondContact CA-OE1 3.4Å; T765-E1314 WeakPolarHBondContact CG2-OE1 3.46Å; P766-E1314 WeakPolarHBondContact CA-OE1 3.43Å; S767-E1314 PolarHBondContact N-OE1 3.09Å; S768-E1314 PolarHBondContact N-OE2 3.31Å
1315	E	38.1	Very low	36.5	Very low	156.6 Å²	156.6	150.5 Å²	150.5	73%	0.732	75%	0.753	S	S	*	*				-122.9	152	117	-77.8	164.8	148.2	0	0	114.3	Y763 S764 T765 P766	Y763-E1315 VanDerWaalsContact C-CG 3.46Å; Y763-E1315 WeakPolarHBondContact CB-OE1 3.44Å; Y763-E1315 WeakPolarHBondContact O-CG 2.94Å; S764-E1315 WeakPolarHBondContact CA-OE1 3.22Å; S764-E1315 WeakPolarHBondContact CA-OE2 3.01Å; S764-E1315 PolarHBondContact N-OE1 3.46Å; S764-E1315 PolarHBondContact N-OE2 3.11Å; T765-E1315 WeakPolarHBondContact CA-OE1 3.43Å; T765-E1315 PolarHBondContact N-OE1 3.15Å; P766-E1315 WeakPolarHBondContact CD-OE1 3.25Å
1316	D	36.1	Very low	36.5	Very low	132.2 Å²	132.2	153.8 Å²	153.8	71%	0.707	76%	0.759	S	S	*	*				57.6	106.8	125.8	-112.4	-18.8	0	0	0	116.5	N1318	D1316-N1318 PolarHBondContact OD1-N 3.37Å; D1316-N1318 PolarHBondContact OD1-ND2 3.01Å
1317	Q	37.9	Very low	36.4	Very low	157.4 Å²	157.4	150.3 Å²	150.3	74%	0.736	75%	0.752	S	S	*	*			trans	98	106.7	140.9	-69.1	-122.1	35.1	0	0	114.7	P1319	Q1317-P1319 WeakPolarHBondContact O-CD 3.04Å
1318	N	34.5	Very low	36.3	Very low	123.8 Å²	123.8	146.8 Å²	146.8	66%	0.662	75%	0.749	S	S	*	*			trans	-161.5	136.8	133.6	-78.7	-78.3	0	0	0	114.3	I969 D1316 P1320	I969-N1318 WeakPolarHBondContact CD1-OD1 3.1Å; D1316-N1318 PolarHBondContact OD1-N 3.37Å; D1316-N1318 PolarHBondContact OD1-ND2 3.01Å; N1318-P1320 WeakPolarHBondContact O-CD 3.08Å
1319	P	42.3	Very low	36.4	Very low	112.2 Å²	112.2	142.6 Å²	142.6	73%	0.729	74%	0.744	S	S	*	*			trans	-92.9	155.5	179.1	36	-32	0	0	0	111.8	Q1317	Q1317-P1319 WeakPolarHBondContact O-CD 3.04Å
1320	P	38.2	Very low	36.5	Very low	119.6 Å²	119.6	145.4 Å²	145.4	78%	0.777	74%	0.742	S	S	*	*			trans	-109.4	144.9	169.3	36.6	-29.7	0	0	0	113.8	N1318 P1322	N1318-P1320 WeakPolarHBondContact O-CD 3.08Å; P1320-P1322 WeakPolarHBondContact O-CD 3.36Å
1321	C	29.2	Very low	36.3	Very low	100.2 Å²	100.2	141.4 Å²	141.4	68%	0.677	73%	0.733	S	S	*	*			trans	-74.9	165.2	170.4	-35.9	0	0	0	0	112.2	D967	D967-C1321 HydrophobicContact CB-CB 3.59Å; D967-C1321 WeakPolarHBondContact O-CB 3.48Å
1322	P	38.5	Very low	36.4	Very low	106.6 Å²	106.6	140.6 Å²	140.6	69%	0.692	73%	0.73	S	S	*	*			trans	-124.1	151.4	-159.5	37.6	-25	0	0	0	113.5	P1320	P1320-P1322 WeakPolarHBondContact O-CD 3.36Å
1323	R	33.3	Very low	36.1	Very low	205.4 Å²	205.4	136.1 Å²	136.1	78%	0.775	73%	0.726	S	S	*	*			trans	139.1	135.2	150.5	-88.3	166.6	170.3	178.5	3.5	115.2
1324	L	32.7	Very low	36.4	Very low	137.2 Å²	137.2	137.4 Å²	137.4	72%	0.718	72%	0.723	S	S	*	*				46.1	131	126.3	-63.2	171.9	0	0	0	116.5
1325	S	32.5	Very low	36.2	Very low	102.2 Å²	102.2	138.1 Å²	138.1	72%	0.715	73%	0.726	S	S	*	*				102.8	118.8	122.4	18.2	0	0	0	0	113.3	R968	R968-S1325 VanDerWaalsContact NH1-CB 3.3Å; R968-S1325 PolarHBondContact NH1-OG 3.08Å; R968-S1325 PolarHBondContact NH2-OG 2.63Å
1326	R	37.8	Very low	36.2	Very low	214 Å²	214	136.3 Å²	136.3	81%	0.808	73%	0.725	S	S	*	*			trans	-155.3	137.4	162.7	-149.1	171.7	171.8	156	6.3	111.2
1327	E	34.6	Very low	36.2	Very low	147.8 Å²	147.8	136 Å²	136	69%	0.691	72%	0.723	S	S	*	*				51.9	130.1	117	-87.8	153	-168.6	0	0	114.7
1328	L	36.3	Very low	36.2	Very low	149.4 Å²	149.4	136 Å²	136	78%	0.782	72%	0.723	S	S	*	*			trans	-158.6	126.3	148	-67.1	178.3	0	0	0	112.1	D1330	L1328-D1330 WeakPolarHBondContact CB-OD2 3.47Å; L1328-D1330 WeakPolarHBondContact CD2-OD2 3.17Å
1329	L	37.8	Very low	36.2	Very low	159.4 Å²	159.4	136.3 Å²	136.3	84%	0.835	73%	0.725	S	S	*	*				-113.8	139.8	89.6	-77	171.4	0	0	0	110.3
1330	D	38.8	Very low	35.9	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	72%	0.717	S	S	*	*			trans	-22.5	132.2	159.2	-55.1	-61.5	0	0	0	111.8	L1328	L1328-D1330 WeakPolarHBondContact CB-OD2 3.47Å; L1328-D1330 WeakPolarHBondContact CD2-OD2 3.17Å
1331	E	37.2	Very low	35.9	Very low	144.4 Å²	144.4	136.5 Å²	136.5	68%	0.675	72%	0.718	S	S	*	*				150.6	135.8	97.2	-87.1	-128.1	125.1	0	0	111.1
1332	K	38.7	Very low	36.2	Very low	161.6 Å²	161.6	137 Å²	137	70%	0.703	72%	0.715	S	S	*	*			cis	168.9	147.8	27.8	-68.9	-139.8	-177.1	-138.8	0	112.2
1333	G	30.5	Very low	36.1	Very low	66.2 Å²	66.2	141.3 Å²	141.3	68%	0.682	72%	0.717	S	S	*	*			trans	-134.8	151.4	158.8	0	0	0	0	0	112.5
1334	P	40.9	Very low	35.9	Very low	95 Å²	95	136.3 Å²	136.3	62%	0.617	71%	0.712	S	S	*	*			trans	-104.3	156	-169.2	36.3	-27.9	0	0	0	112.8	V1336	P1334-V1336 PolarHBondContact O-N 3.46Å
1335	E	34.8	Very low	35.9	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	72%	0.716	S	S	*	*			trans	-11.8	136.9	153.4	-67.5	168.9	-174.6	0	0	111.6
1336	V	37.8	Very low	35.8	Very low	118.6 Å²	118.6	139.5 Å²	139.5	72%	0.719	72%	0.716	S	S	*	*				-161.8	129.9	86.9	-176.8	0	0	0	0	110.9	P1334 G1594	P1334-V1336 PolarHBondContact O-N 3.46Å; V1336-G1594 CarbonylContact C-O 3.35Å; V1336-G1594 PolarHBondContact N-O 3.07Å
1337	L	35.3	Very low	35.4	Very low	127 Å²	127	134.8 Å²	134.8	67%	0.665	71%	0.711	S	S	*	*			trans	-49.6	139.2	152.6	-80.7	165.9	0	0	0	115.3	D1342 G1594 C1595	L1337-D1342 WeakPolarHBondContact CB-OD2 3.01Å; L1337-G1594 PolarHBondContact N-O 2.83Å; L1337-G1594 VanDerWaalsContact N-O 3.09Å; L1337-C1595 WeakPolarHBondContact O-CB 2.95Å; L1337-C1595 PolarHBondContact O-SG 3.47Å
1338	Q	38.1	Very low	35.3	Very low	156.8 Å²	156.8	133.1 Å²	133.1	73%	0.733	71%	0.713	S	S	*	*			trans	-146.7	141.4	151.4	-89.7	162.2	-18.6	0	0	111.1	D1342 C1595	Q1338-D1342 PolarHBondContact N-OD2 3.09Å; Q1338-C1595 PolarHBondContact O-SG 2.87Å
1339	D	35.8	Very low	35	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	71%	0.712	S	S	*	*			trans	175.3	136.6	134.2	-94.1	-25.6	0	0	0	112.8	Q871 R968 L1341	Q871-D1339 PolarHBondContact NE2-O 3.02Å; R968-D1339 WeakPolarHBondContact CA-O 3.32Å; R968-D1339 PolarHBondContact N-O 3.4Å; D1339-L1341 VanDerWaalsContact C-N 3.34Å; D1339-L1341 PolarHBondContact O-N 3.04Å; D1339-L1341 VanDerWaalsContact O-N 3.07Å
1340	S	35.6	Very low	34.6	Very low	81.2 Å²	81.2	126.9 Å²	126.9	57%	0.568	71%	0.707	S	S	*	*			trans	53.3	111.2	153.9	48.8	0	0	0	0	117.1	Q871 V966 D967 R968	Q871-S1340 PolarHBondContact NE2-O 2.81Å; Q871-S1340 PolarHBondContact OE1-O 3Å; Q871-S1340 PolarHBondContact OE1-OG 2.74Å; V966-S1340 VanDerWaalsContact C-CB 3.45Å; V966-S1340 WeakPolarHBondContact O-CB 3.24Å; V966-S1340 PolarHBondContact O-OG 3.37Å; D967-S1340 VanDerWaalsContact CA-OG 3.32Å; D967-S1340 WeakPolarHBondContact CA-OG 3.32Å; D967-S1340 VanDerWaalsContact N-CB 3.34Å; D967-S1340 PolarHBondContact N-OG 3.4Å; D967-S1340 VanDerWaalsContact N-OG 3.12Å; D967-S1340 PolarHBondContact O-OG 3.49Å; D967-S1340 VanDerWaalsContact O-OG 3.06Å; R968-S1340 VanDerWaalsContact CA-O 3.32Å; R968-S1340 WeakPolarHBondContact CA-O 3.47Å; R968-S1340 WeakPolarHBondContact CB-O 3.42Å; R968-S1340 PolarHBondContact N-O 2.65Å; R968-S1340 PolarHBondContact N-OG 3.22Å; R968-S1340 VanDerWaalsContact N-OG 3.16Å
1341	L	37.5	Very low	34.1	Very low	154.2 Å²	154.2	125.8 Å²	125.8	81%	0.807	71%	0.708	S	S	*	*			trans	107.1	94.8	156.5	-68.5	176.5	0	0	0	113.7	R968 D1339 R1343	R968-L1341 HydrophobicContact CG-CD2 4.49Å; D1339-L1341 VanDerWaalsContact C-N 3.34Å; D1339-L1341 PolarHBondContact O-N 3.04Å; D1339-L1341 VanDerWaalsContact O-N 3.07Å; L1341-R1343 HydrophobicContact CD2-CB 4.11Å; L1341-R1343 PolarHBondContact O-N 3.5Å
1342	D	35.5	Very low	33.9	Very low	111.2 Å²	111.2	125.5 Å²	125.5	60%	0.595	71%	0.71	S	S	*	*			trans	-103.4	121.2	149.8	-127.1	-14.1	0	0	0	113.5	C870 Q871 D967 R968 L1337 Q1338 C1344	C870-D1342 PolarHBondContact SG-OD1 2.82Å; Q871-D1342 WeakPolarHBondContact CG-OD1 3.46Å; Q871-D1342 PolarHBondContact NE2-OD1 3.19Å; D967-D1342 HydrophobicContact CB-CB 3.92Å; D967-D1342 WeakPolarHBondContact OD1-CA 3.45Å; D967-D1342 WeakPolarHBondContact OD1-CB 3.22Å; D967-D1342 PolarHBondContact OD1-N 3.38Å; R968-D1342 HydrophobicContact CB-CB 4.16Å; R968-D1342 PolarHBondContact NH1-O 2.57Å; L1337-D1342 WeakPolarHBondContact CB-OD2 3.01Å; Q1338-D1342 PolarHBondContact N-OD2 3.09Å; D1342-C1344 PolarHBondContact OD1-N 2.84Å; D1342-C1344 PolarHBondContact OD1-SG 2.69Å
1343	R	35.8	Very low	33.5	Very low	197.2 Å²	197.2	125.8 Å²	125.8	74%	0.744	71%	0.714	S	S	*	*			trans	-82.6	92.7	151.3	-136.6	178.7	-120.2	-143.8	-8.5	114.7	D967 L1341 Y1345	D967-R1343 IonicContact OD2-NH2 2.79Å; D967-R1343 PolarHBondContact OD2-NH2 2.92Å; D967-R1343 VanDerWaalsContact OD2-NH2 3.13Å; L1341-R1343 HydrophobicContact CD2-CB 4.11Å; L1341-R1343 PolarHBondContact O-N 3.5Å; R1343-Y1345 WeakPolarHBondContact O-CD2 3.01Å; R1343-Y1345 WeakPolarHBondContact O-CE2 3.38Å
1344	C	31	Very low	33.7	Very low	99.4 Å²	99.4	128.9 Å²	128.9	67%	0.672	72%	0.715	S	S	*	*				30.7	129.3	125.8	-65.1	0	0	0	0	114.5	D1342	D1342-C1344 PolarHBondContact OD1-N 2.84Å; D1342-C1344 PolarHBondContact OD1-SG 2.69Å
1345	Y	32.2	Very low	33.4	Very low	205 Å²	205	128.9 Å²	128.9	80%	0.804	71%	0.713	S	S	*	*			trans	-58.7	142.5	152	-71.6	-77.5	0	0	0	114.7	R1343	R1343-Y1345 WeakPolarHBondContact O-CD2 3.01Å; R1343-Y1345 WeakPolarHBondContact O-CE2 3.38Å
1346	S	30.3	Very low	33.3	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	70%	0.704	S	S	*	*			trans	133.4	136.7	141.7	-71.4	0	0	0	0	116
1347	T	29.7	Very low	33	Very low	114.4 Å²	114.4	124 Å²	124	70%	0.702	69%	0.694	S	S	*	*				-14.7	141.6	119.3	-23.8	0	0	0	0	112.9	R1232 S1349	R1232-T1347 VanDerWaalsContact NH1-CG2 3.25Å; T1347-S1349 PolarHBondContact O-N 3.16Å; T1347-S1349 PolarHBondContact O-OG 3.06Å
1348	P	32.9	Very low	32.8	Very low	112.8 Å²	112.8	123 Å²	123	73%	0.732	70%	0.697	S	S	*	*				-107.4	149.3	117.3	35.8	-29.1	0	0	0	113.4	R1232	R1232-P1348 VanDerWaalsContact CD-O 3.25Å; R1232-P1348 WeakPolarHBondContact CD-O 3.28Å; R1232-P1348 VanDerWaalsContact NH1-C 3.35Å; R1232-P1348 PolarHBondContact NH1-O 2.75Å
1349	S	29.5	Very low	32.5	Very low	107.8 Å²	107.8	123.1 Å²	123.1	75%	0.754	70%	0.697	S	S	*	*			trans	161.4	121.4	161.2	84.9	0	0	0	0	113.4	T1347	T1347-S1349 PolarHBondContact O-N 3.16Å; T1347-S1349 PolarHBondContact O-OG 3.06Å
1350	G	29.6	Very low	32.6	Very low	69.8 Å²	69.8	121.4 Å²	121.4	72%	0.72	69%	0.693	S	S	*	*			cis	123.8	92.5	-5.4	0	0	0	0	0	112.8	L1352	G1350-L1352 PolarHBondContact O-N 3.23Å
1351	C	28.1	Very low	32.3	Very low	108 Å²	108	126.7 Å²	126.7	73%	0.73	70%	0.702	S	S	*	*			trans	176.4	139.4	135.6	-71.8	0	0	0	0	113.2	R1229 L1230	R1229-C1351 CarbonylContact O-C 3.39Å; R1229-C1351 VanDerWaalsContact O-CB 3.3Å; R1229-C1351 WeakPolarHBondContact O-CB 3.17Å; R1229-C1351 VanDerWaalsContact O-O 3.11Å; L1230-C1351 HydrophobicContact CB-CB 3.74Å
1352	L	31.7	Very low	32.1	Very low	137.8 Å²	137.8	129.7 Å²	129.7	72%	0.721	70%	0.703	S	S	*	*			trans	71.2	131.7	166.6	-64.9	164.3	0	0	0	114.3	P1228 G1350	P1228-L1352 VanDerWaalsContact C-CD2 3.47Å; G1350-L1352 PolarHBondContact O-N 3.23Å
1353	E	31.7	Very low	31.9	Very low	167.6 Å²	167.6	129.1 Å²	129.1	78%	0.783	71%	0.707	S	S	*	*				108.1	122.2	92.1	-72.7	-173.1	175.8	0	0	110.7
1354	L	33.8	Very low	31.7	Very low	132.4 Å²	132.4	123.3 Å²	123.3	69%	0.693	70%	0.702	S	S	*	*				-153.4	166.6	97.2	-82.7	176.2	0	0	0	111.1	C1227	C1227-L1354 CarbonylContact C-O 3.18Å; C1227-L1354 VanDerWaalsContact C-O 3.26Å; C1227-L1354 HydrophobicContact CB-CB 3.38Å
1355	T	34.2	Very low	31.6	Very low	94.4 Å²	94.4	127.5 Å²	127.5	58%	0.579	71%	0.709	S	S	*	*			trans	-176.8	125.1	-164.7	-21.1	0	0	0	0	114.9	P1226 C1227	P1226-T1355 CarbonylContact C-O 3.04Å; P1226-T1355 VanDerWaalsContact CA-O 3.32Å; P1226-T1355 WeakPolarHBondContact CA-O 3.25Å; C1227-T1355 PolarHBondContact N-O 2.73Å; C1227-T1355 PolarHBondContact SG-N 3.31Å; C1227-T1355 PolarHBondContact SG-O 3.29Å
1356	D	32.3	Very low	31.5	Very low	119.6 Å²	119.6	126.7 Å²	126.7	64%	0.64	71%	0.706	S	S	*	*				159.6	139.9	107.9	-100.1	-23.6	0	0	0	117.8	P1225 P1226 C1227	P1225-D1356 WeakPolarHBondContact CA-O 3.13Å; P1226-D1356 VanDerWaalsContact CA-C 3.43Å; P1226-D1356 VanDerWaalsContact CA-O 3.28Å; P1226-D1356 WeakPolarHBondContact CA-O 3.31Å; C1227-D1356 PolarHBondContact O-N 3.42Å
1357	S	32.2	Very low	31.5	Very low	75.2 Å²	75.2	128.5 Å²	128.5	53%	0.526	71%	0.706	S	S	.	*			trans	-1.8	134.6	152.3	63.7	0	0	0	0	118.9	Q883 C1227	Q883-S1357 PolarHBondContact OE1-OG 2.72Å; Q883-S1357 VanDerWaalsContact OE1-OG 3.09Å; C1227-S1357 PolarHBondContact O-N 3.3Å; C1227-S1357 VanDerWaalsContact O-N 3.11Å
1358	C	31.9	Very low	31.6	Very low	105.8 Å²	105.8	129.3 Å²	129.3	72%	0.715	71%	0.705	S	S	*	*				111.5	133	115.4	-81.5	0	0	0	0	116
1359	Q	30.4	Very low	31.6	Very low	157.8 Å²	157.8	130.5 Å²	130.5	74%	0.737	70%	0.701	S	S	*	*			trans	-85.2	147.2	142.4	-73.5	-92.5	-23.8	0	0	113.5
1360	P	39	Very low	31.8	Very low	95.6 Å²	95.6	131.8 Å²	131.8	62%	0.621	70%	0.695	S	S	*	*				-126.9	154.8	56.2	20.3	1.3	0	0	0	116.3
1361	Y	29.8	Very low	31.9	Very low	192 Å²	192	135.8 Å²	135.8	75%	0.753	70%	0.695	S	S	*	*			trans	-45.2	131.9	152.7	-96.2	-84.6	0	0	0	115.6
1362	R	31.5	Very low	32	Very low	216.6 Å²	216.6	135 Å²	135	82%	0.817	69%	0.69	S	S	*	*			trans	-157	128.6	139.7	-89.6	-164.2	174	-162.8	-1.9	113.7	A1364	R1362-A1364 VanDerWaalsContact C-N 3.33Å; R1362-A1364 HydrophobicContact CB-CB 3.98Å; R1362-A1364 PolarHBondContact O-N 3.34Å; R1362-A1364 VanDerWaalsContact O-N 3.14Å
1363	S	32.8	Very low	32.2	Very low	98.2 Å²	98.2	134.1 Å²	134.1	69%	0.687	69%	0.689	S	S	*	*			trans	-66.2	124.1	136.5	53.9	0	0	0	0	114.1	Y1197 F1365	Y1197-S1363 VanDerWaalsContact CE1-O 3.27Å; Y1197-S1363 WeakPolarHBondContact CE1-O 3.18Å; Y1197-S1363 VanDerWaalsContact OH-C 3.27Å; Y1197-S1363 PolarHBondContact OH-O 2.72Å; Y1197-S1363 VanDerWaalsContact OH-O 3.13Å; S1363-F1365 PolarHBondContact O-N 3.42Å
1364	A	31.8	Very low	32.1	Very low	76.4 Å²	76.4	129.3 Å²	129.3	63%	0.631	69%	0.685	S	S	*	*			trans	-123	144.6	155.1	0	0	0	0	0	108.7	Y1197 R1362 Y1366	Y1197-A1364 VanDerWaalsContact OH-CA 3.28Å; Y1197-A1364 WeakPolarHBondContact OH-CA 3.23Å; Y1197-A1364 PolarHBondContact OH-N 3.37Å; R1362-A1364 VanDerWaalsContact C-N 3.33Å; R1362-A1364 HydrophobicContact CB-CB 3.98Å; R1362-A1364 PolarHBondContact O-N 3.34Å; R1362-A1364 VanDerWaalsContact O-N 3.14Å; A1364-Y1366 HydrophobicContact CB-CD2 4.47Å
1365	F	28.7	Very low	32.1	Very low	188 Å²	188	130.1 Å²	130.1	83%	0.825	69%	0.689	S	S	*	*			trans	-96.5	130.5	164.8	-77.3	-89.7	0	0	0	111.5	S1363	S1363-F1365 PolarHBondContact O-N 3.42Å
1366	Y	30	Very low	32.3	Very low	188.4 Å²	188.4	129.9 Å²	129.9	74%	0.739	70%	0.697	S	S	*	*				-161.3	134.1	129.8	-85.7	-87.7	0	0	0	112.6	P909 R910 A1364 L1368	P909-Y1366 HydrophobicContact CB-CD2 3.92Å; P909-Y1366 HydrophobicContact CB-CE1 4.26Å; P909-Y1366 HydrophobicContact CB-CE2 3.17Å; P909-Y1366 WeakPolarHBondContact CB-OH 3.23Å; P909-Y1366 HydrophobicContact CG-CD1 4.17Å; P909-Y1366 HydrophobicContact CG-CD2 3.78Å; P909-Y1366 HydrophobicContact CG-CE1 3.75Å; P909-Y1366 HydrophobicContact CG-CE2 3.41Å; P909-Y1366 VanDerWaalsContact CG-CE2 3.41Å; P909-Y1366 HydrophobicContact CG-CG 4.22Å; R910-Y1366 WeakPolarHBondContact CD-OH 3.13Å; R910-Y1366 WeakPolarHBondContact CG-OH 3.13Å; R910-Y1366 PolarHBondContact NE-OH 2.57Å; R910-Y1366 PolarHBondContact NH2-OH 3.39Å; A1364-Y1366 HydrophobicContact CB-CD2 4.47Å; Y1366-L1368 PolarHBondContact O-N 2.92Å
1367	I	30.2	Very low	32.4	Very low	140.6 Å²	140.6	129.9 Å²	129.9	72%	0.721	70%	0.701	S	S	*	*			trans	-126.9	131.4	149.7	-63.7	169	0	0	0	106.6	S907 P909 E1369	S907-I1367 VanDerWaalsContact O-CG2 3.27Å; S907-I1367 WeakPolarHBondContact O-CG2 3.48Å; P909-I1367 HydrophobicContact CG-CD1 3.63Å; P909-I1367 HydrophobicContact CG-CG1 4.03Å; I1367-E1369 HydrophobicContact CG2-CB 4.28Å
1368	L	31.8	Very low	32.9	Very low	129.6 Å²	129.6	133.2 Å²	133.2	68%	0.679	71%	0.713	S	S	*	*			trans	-116.4	128.2	148.7	-114.8	80.5	0	0	0	108.1	P906 Y1366 Q1370 C1832 Y1833	P906-L1368 VanDerWaalsContact CD-C 3.46Å; P906-L1368 PolarHBondContact O-N 3.13Å; Y1366-L1368 PolarHBondContact O-N 2.92Å; L1368-Q1370 HydrophobicContact CD2-CG 4.15Å; L1368-Q1370 HydrophobicContact CG-CG 4.42Å; L1368-Q1370 PolarHBondContact O-NE2 2.95Å; L1368-C1832 HydrophobicContact CD2-CB 4.46Å; L1368-C1832 VanDerWaalsContact CD2-SG 3.52Å; L1368-Y1833 HydrophobicContact CD2-CE1 4.06Å
1369	E	32.9	Very low	33	Very low	138.4 Å²	138.4	135.2 Å²	135.2	65%	0.647	71%	0.714	S	S	*	*				-179.6	132.6	113.1	-127.4	158.3	-160.9	0	0	110.7	P906 F1121 I1367 Y1833 S1834 T1835	P906-E1369 WeakPolarHBondContact CD-O 3.46Å; F1121-E1369 WeakPolarHBondContact CE2-O 3.48Å; I1367-E1369 HydrophobicContact CG2-CB 4.28Å; E1369-Y1833 HydrophobicContact CB-CD1 3.74Å; E1369-Y1833 HydrophobicContact CB-CE1 4.49Å; E1369-Y1833 HydrophobicContact CG-CD1 3.96Å; E1369-Y1833 PolarHBondContact OE1-N 2.75Å; E1369-Y1833 VanDerWaalsContact OE2-CA 3.26Å; E1369-Y1833 WeakPolarHBondContact OE2-CA 3.43Å; E1369-Y1833 PolarHBondContact OE2-N 3.18Å; E1369-S1834 VanDerWaalsContact OE2-CA 3.3Å; E1369-S1834 WeakPolarHBondContact OE2-CA 3.2Å; E1369-S1834 PolarHBondContact OE2-N 3.13Å; E1369-T1835 PolarHBondContact N-OG1 2.65Å; E1369-T1835 PolarHBondContact O-OG1 2.76Å
1370	Q	32.7	Very low	33.5	Very low	135.8 Å²	135.8	133.1 Å²	133.1	64%	0.635	71%	0.708	S	S	*	*			trans	-105.2	140.8	154.7	-67.2	-168.4	106	0	0	113.6	Q904 F1121 L1368 C1372 Y1833 S1834	Q904-Q1370 PolarHBondContact O-N 3.04Å; F1121-Q1370 HydrophobicContact CD1-CB 4.32Å; F1121-Q1370 HydrophobicContact CD1-CG 3.93Å; F1121-Q1370 HydrophobicContact CD2-CB 3.96Å; F1121-Q1370 HydrophobicContact CD2-CG 4.25Å; F1121-Q1370 HydrophobicContact CE1-CB 4.46Å; F1121-Q1370 HydrophobicContact CE1-CG 3.73Å; F1121-Q1370 HydrophobicContact CE2-CB 4.11Å; F1121-Q1370 HydrophobicContact CE2-CG 4.07Å; F1121-Q1370 HydrophobicContact CG-CB 4.08Å; F1121-Q1370 HydrophobicContact CG-CG 4.19Å; F1121-Q1370 HydrophobicContact CZ-CB 4.36Å; F1121-Q1370 HydrophobicContact CZ-CG 3.8Å; L1368-Q1370 HydrophobicContact CD2-CG 4.15Å; L1368-Q1370 HydrophobicContact CG-CG 4.42Å; L1368-Q1370 PolarHBondContact O-NE2 2.95Å; Q1370-C1372 PolarHBondContact O-N 3.21Å; Q1370-Y1833 HydrophobicContact CB-CD1 4.49Å; Q1370-Y1833 HydrophobicContact CB-CD2 4.39Å; Q1370-Y1833 HydrophobicContact CB-CE1 4.07Å; Q1370-Y1833 HydrophobicContact CB-CE2 3.91Å; Q1370-Y1833 HydrophobicContact CG-CE1 4.02Å; Q1370-Y1833 HydrophobicContact CG-CE2 4.27Å; Q1370-Y1833 WeakPolarHBondContact CG-OH 3.34Å; Q1370-Y1833 VanDerWaalsContact OE1-CZ 3.26Å; Q1370-Y1833 PolarHBondContact OE1-OH 2.86Å; Q1370-S1834 WeakPolarHBondContact O-CB 3.46Å; Q1370-S1834 PolarHBondContact O-OG 2.96Å
1371	Q	32.4	Very low	33.6	Very low	153.8 Å²	153.8	134.8 Å²	134.8	72%	0.719	71%	0.707	S	S	*	*			trans	-88.5	137	150.8	-69.6	-178.7	-35.5	0	0	111	A1120 F1121 V1373	A1120-Q1371 CarbonylContact C-O 3.52Å; A1120-Q1371 WeakPolarHBondContact CA-O 3.3Å; A1120-Q1371 WeakPolarHBondContact CB-O 3.27Å; F1121-Q1371 WeakPolarHBondContact CB-O 3.48Å; F1121-Q1371 WeakPolarHBondContact CD2-O 3.47Å; F1121-Q1371 PolarHBondContact N-O 2.68Å; Q1371-V1373 HydrophobicContact CB-CG2 3.82Å; Q1371-V1373 VanDerWaalsContact O-CB 3.23Å; Q1371-V1373 WeakPolarHBondContact O-CB 3.43Å; Q1371-V1373 WeakPolarHBondContact O-CG2 3.21Å
1372	C	30.2	Very low	34.3	Very low	91.4 Å²	91.4	131.6 Å²	131.6	62%	0.618	70%	0.702	S	S	*	*			trans	-109.9	126.1	156.5	-65.9	0	0	0	0	110.4	E902 F1121 Y1122 Q1370	E902-C1372 WeakPolarHBondContact OE2-CB 3.41Å; E902-C1372 PolarHBondContact OE2-SG 3.32Å; F1121-C1372 HydrophobicContact CB-CB 4.38Å; F1121-C1372 VanDerWaalsContact CB-SG 3.5Å; F1121-C1372 WeakPolarHBondContact O-CB 3.23Å; Y1122-C1372 HydrophobicContact CD2-CB 3.4Å; Y1122-C1372 VanDerWaalsContact CD2-SG 3.57Å; Y1122-C1372 HydrophobicContact CE2-CB 3.46Å; Y1122-C1372 VanDerWaalsContact CE2-CB 3.46Å; Y1122-C1372 WeakPolarHBondContact CE2-SG 3.37Å; Y1122-C1372 HydrophobicContact CG-CB 4.22Å; Y1122-C1372 VanDerWaalsContact CZ-SG 3.54Å; Q1370-C1372 PolarHBondContact O-N 3.21Å
1373	V	35	Very low	34.6	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.715	69%	0.691	S	S	*	*				-154	119.3	113.2	163.7	0	0	0	0	109	S1119 Q1371 L1375 D1600	S1119-V1373 WeakPolarHBondContact CB-O 3.21Å; Q1371-V1373 HydrophobicContact CB-CG2 3.82Å; Q1371-V1373 VanDerWaalsContact O-CB 3.23Å; Q1371-V1373 WeakPolarHBondContact O-CB 3.43Å; Q1371-V1373 WeakPolarHBondContact O-CG2 3.21Å; V1373-L1375 HydrophobicContact CG1-CD1 3.76Å; V1373-L1375 HydrophobicContact CG1-CG 4.04Å; V1373-D1600 WeakPolarHBondContact CA-OD1 3.4Å; V1373-D1600 HydrophobicContact CB-CB 4.1Å; V1373-D1600 HydrophobicContact CG1-CB 3.74Å; V1373-D1600 HydrophobicContact CG2-CB 3.79Å
1374	G	30.5	Very low	34.8	Very low	67.4 Å²	67.4	128.4 Å²	128.4	70%	0.695	68%	0.683	S	S	*	*			trans	-148.5	85.6	166.4	0	0	0	0	0	114.8	A1376 D1600	G1374-A1376 PolarHBondContact O-N 2.78Å; G1374-D1600 VanDerWaalsContact N-CG 3.34Å; G1374-D1600 PolarHBondContact N-OD1 3.19Å; G1374-D1600 PolarHBondContact N-OD2 3.39Å
1375	L	32.9	Very low	35.1	Very low	149 Å²	149	133 Å²	133	78%	0.78	69%	0.686	S	S	*	*			trans	-66.6	110.2	148.2	-74.2	-178.2	0	0	0	112.3	V1373 V1377 L1598 T1599	V1373-L1375 HydrophobicContact CG1-CD1 3.76Å; V1373-L1375 HydrophobicContact CG1-CG 4.04Å; L1375-V1377 PolarHBondContact O-N 2.85Å; L1375-V1377 VanDerWaalsContact O-N 3.09Å; L1375-L1598 VanDerWaalsContact CD1-O 3.24Å; L1375-L1598 WeakPolarHBondContact CD1-O 3.28Å; L1375-L1598 WeakPolarHBondContact CG-O 3.36Å; L1375-T1599 HydrophobicContact CB-CG2 4.41Å; L1375-T1599 HydrophobicContact CD1-CG2 3.86Å; L1375-T1599 WeakPolarHBondContact CD1-OG1 3.15Å; L1375-T1599 HydrophobicContact CG-CG2 4.39Å
1376	A	38.9	Very low	35.5	Very low	89.4 Å²	89.4	130.2 Å²	130.2	74%	0.739	68%	0.675	S	S	*	*			trans	-125.8	133.4	140.5	0	0	0	0	0	107.7	G1374 D1378	G1374-A1376 PolarHBondContact O-N 2.78Å; A1376-D1378 PolarHBondContact O-N 2.62Å
1377	V	34.9	Very low	35.7	Very low	119.6 Å²	119.6	128.2 Å²	128.2	73%	0.725	67%	0.672	S	S	*	*			trans	-49.3	108.7	135.5	-178.7	0	0	0	0	110.5	L1375 M1379	L1375-V1377 PolarHBondContact O-N 2.85Å; L1375-V1377 VanDerWaalsContact O-N 3.09Å; V1377-M1379 VanDerWaalsContact C-N 3.34Å; V1377-M1379 HydrophobicContact CG1-CB 3.97Å; V1377-M1379 HydrophobicContact CG1-CG 4.16Å; V1377-M1379 PolarHBondContact O-N 3.39Å
1378	D	41.7	Very low	36	Very low	146.4 Å²	146.4	126 Å²	126	78%	0.783	67%	0.665	S	S	*	*			trans	-122.9	118.1	139.6	-96.5	-26.7	0	0	0	107.4	A1376 D1380	A1376-D1378 PolarHBondContact O-N 2.62Å; D1378-D1380 HydrophobicContact CB-CB 4.41Å
1379	M	34.1	Very low	36.2	Very low	146.4 Å²	146.4	127.3 Å²	127.3	72%	0.721	67%	0.668	S	S	*	*			trans	-94.7	96.4	158.1	-125.5	-141	27.7	0	0	112.3	V1377 E1381 I1382	V1377-M1379 VanDerWaalsContact C-N 3.34Å; V1377-M1379 HydrophobicContact CG1-CB 3.97Å; V1377-M1379 HydrophobicContact CG1-CG 4.16Å; V1377-M1379 PolarHBondContact O-N 3.39Å; M1379-E1381 HydrophobicContact CE-CG 3.82Å; M1379-E1381 WeakPolarHBondContact CE-OE1 3.19Å; M1379-E1381 PolarHBondContact O-N 2.95Å; M1379-I1382 HydrophobicContact CE-CD1 4.49Å; M1379-I1382 HydrophobicContact CG-CG1 4.38Å; M1379-I1382 PolarHBondContact O-N 3.42Å
1380	D	40.8	Very low	36.5	Very low	114.6 Å²	114.6	128.4 Å²	128.4	61%	0.613	67%	0.673	S	S	*	*			trans	-109.6	111.8	157.9	-78.2	-23.7	0	0	0	112.5	D1378 R1795	D1378-D1380 HydrophobicContact CB-CB 4.41Å; D1380-R1795 VanDerWaalsContact OD2-CA 3.28Å; D1380-R1795 WeakPolarHBondContact OD2-CA 3.39Å; D1380-R1795 PolarHBondContact OD2-N 3.07Å
1381	E	42.4	Very low	36.5	Very low	130.6 Å²	130.6	128.1 Å²	128.1	61%	0.61	68%	0.676	S	S	*	*				104.8	104.4	117.8	-83.2	178.9	167.4	0	0	116.5	M1379 E1383 K1792 E1793 R1794 R1795	M1379-E1381 HydrophobicContact CE-CG 3.82Å; M1379-E1381 WeakPolarHBondContact CE-OE1 3.19Å; M1379-E1381 PolarHBondContact O-N 2.95Å; E1381-E1383 VanDerWaalsContact C-N 3.27Å; E1381-E1383 HydrophobicContact CB-CB 3.89Å; E1381-E1383 HydrophobicContact CG-CB 3.8Å; E1381-E1383 HydrophobicContact CG-CG 4.06Å; E1381-E1383 WeakPolarHBondContact O-CB 3.2Å; E1381-K1792 WeakPolarHBondContact CB-O 3.48Å; E1381-K1792 CarbonylContact O-C 3.25Å; E1381-E1793 VanDerWaalsContact CD-C 3.45Å; E1381-E1793 WeakPolarHBondContact OE2-CA 3.22Å; E1381-R1794 VanDerWaalsContact CD-C 3.45Å; E1381-R1794 WeakPolarHBondContact OE1-CA 3.09Å; E1381-R1794 PolarHBondContact OE1-N 3.07Å; E1381-R1794 WeakPolarHBondContact OE2-CA 3.4Å; E1381-R1794 PolarHBondContact OE2-N 3.05Å; E1381-R1794 VanDerWaalsContact OE2-N 3.14Å; E1381-R1795 PolarHBondContact OE1-N 2.92Å; E1381-R1795 PolarHBondContact OE2-N 2.68Å
1382	I	43.5	Very low	36.7	Very low	125.4 Å²	125.4	128.3 Å²	128.3	64%	0.643	68%	0.677	S	S	*	*				-79.2	93.8	124	-62.3	173.2	0	0	0	110.2	M1379 K1384 K1791	M1379-I1382 HydrophobicContact CE-CD1 4.49Å; M1379-I1382 HydrophobicContact CG-CG1 4.38Å; M1379-I1382 PolarHBondContact O-N 3.42Å; I1382-K1384 PolarHBondContact O-N 2.91Å; I1382-K1791 HydrophobicContact CG2-CG 4.04Å
1383	E	37.4	Very low	36.8	Very low	124.2 Å²	124.2	130 Å²	130	58%	0.58	68%	0.68	S	S	*	*				52.4	116.1	90.7	-118.6	-152.9	-178.9	0	0	113.8	E1381 Y1385 K1791 K1792	E1381-E1383 VanDerWaalsContact C-N 3.27Å; E1381-E1383 HydrophobicContact CB-CB 3.89Å; E1381-E1383 HydrophobicContact CG-CB 3.8Å; E1381-E1383 HydrophobicContact CG-CG 4.06Å; E1381-E1383 WeakPolarHBondContact O-CB 3.2Å; E1383-Y1385 PolarHBondContact O-N 3.37Å; E1383-K1791 VanDerWaalsContact O-CA 3.23Å; E1383-K1791 WeakPolarHBondContact O-CA 2.8Å; E1383-K1791 PolarHBondContact O-N 3.01Å; E1383-K1792 WeakPolarHBondContact CG-O 3.44Å; E1383-K1792 PolarHBondContact OE2-N 3.12Å
1384	K	38.9	Very low	37	Very low	122.4 Å²	122.4	129.8 Å²	129.8	53%	0.532	68%	0.681	S	S	.	*			trans	60	111.8	143.3	-66.3	176.6	-175.9	143.4	0	118.5	I1382 Q1386 R1789 S1790 K1791	I1382-K1384 PolarHBondContact O-N 2.91Å; K1384-Q1386 HydrophobicContact CB-CB 4.04Å; K1384-Q1386 WeakPolarHBondContact O-CB 3.47Å; K1384-R1789 WeakPolarHBondContact O-CA 3.21Å; K1384-S1790 VanDerWaalsContact CB-O 3.3Å; K1384-S1790 WeakPolarHBondContact CB-O 3.27Å; K1384-S1790 WeakPolarHBondContact CD-O 3.26Å; K1384-S1790 CarbonylContact O-C 3.26Å; K1384-S1790 WeakPolarHBondContact O-CA 3.34Å; K1384-S1790 PolarHBondContact O-N 3.23Å; K1384-S1790 VanDerWaalsContact O-N 3.15Å; K1384-K1791 PolarHBondContact O-N 2.9Å
1385	Y	36.4	Very low	37.1	Very low	174 Å²	174	132 Å²	132	68%	0.682	69%	0.685	S	S	*	*				-156.9	135.2	90	-64	-80.9	0	0	0	114	E1383 G1787 R1788 R1789	E1383-Y1385 PolarHBondContact O-N 3.37Å; Y1385-G1787 CarbonylContact C-O 3.21Å; Y1385-G1787 VanDerWaalsContact CA-O 3.29Å; Y1385-G1787 WeakPolarHBondContact CA-O 3.21Å; Y1385-G1787 VanDerWaalsContact CB-O 3.24Å; Y1385-G1787 WeakPolarHBondContact CB-O 3.18Å; Y1385-R1788 WeakPolarHBondContact CB-O 3.34Å; Y1385-R1788 WeakPolarHBondContact CD2-O 3.44Å; Y1385-R1788 WeakPolarHBondContact CE2-O 3.1Å; Y1385-R1788 VanDerWaalsContact CG-C 3.49Å; Y1385-R1789 VanDerWaalsContact C-N 3.3Å; Y1385-R1789 VanDerWaalsContact CB-N 3.28Å; Y1385-R1789 WeakPolarHBondContact O-CA 3.46Å; Y1385-R1789 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1789 PolarHBondContact O-N 3.38Å; Y1385-R1789 VanDerWaalsContact O-N 3.16Å
1386	Q	37.5	Very low	37	Very low	128.6 Å²	128.6	130.3 Å²	130.3	60%	0.601	69%	0.685	S	S	*	*				106.6	91	81.4	-152.6	142	7.7	0	0	112.5	K1384 R1786 G1787 R1789 V1865 D1866	K1384-Q1386 HydrophobicContact CB-CB 4.04Å; K1384-Q1386 WeakPolarHBondContact O-CB 3.47Å; Q1386-R1786 CarbonylContact O-C 3.09Å; Q1386-G1787 CarbonylContact C-O 3.35Å; Q1386-G1787 WeakPolarHBondContact CA-O 3.44Å; Q1386-G1787 VanDerWaalsContact N-C 3.31Å; Q1386-G1787 PolarHBondContact N-O 2.86Å; Q1386-G1787 CarbonylContact O-C 3.07Å; Q1386-G1787 WeakPolarHBondContact O-CA 3.3Å; Q1386-G1787 PolarHBondContact O-N 2.99Å; Q1386-R1789 VanDerWaalsContact OE1-CG 3.3Å; Q1386-V1865 HydrophobicContact CG-CG1 3.8Å; Q1386-D1866 HydrophobicContact CG-CB 3.96Å; Q1386-D1866 PolarHBondContact NE2-OD2 2.74Å
1387	E	34.2	Very low	36.9	Very low	145.8 Å²	145.8	131.2 Å²	131.2	68%	0.681	68%	0.683	S	S	*	*				61.3	130.7	106.1	-76.6	162.3	136	0	0	112.3	E1389 G1787 R1788 V1865	E1387-E1389 PolarHBondContact O-N 3.27Å; E1387-G1787 VanDerWaalsContact CB-C 3.46Å; E1387-G1787 VanDerWaalsContact CG-C 3.43Å; E1387-G1787 VanDerWaalsContact CG-CA 3.4Å; E1387-R1788 HydrophobicContact CB-CB 3.31Å; E1387-R1788 HydrophobicContact CB-CG 4.32Å; E1387-R1788 HydrophobicContact CG-CB 3.51Å; E1387-R1788 PolarHBondContact O-NE 3.34Å; E1387-R1788 VanDerWaalsContact O-NE 3.14Å; E1387-R1788 PolarHBondContact O-NH2 3.16Å; E1387-R1788 WeakPolarHBondContact OE1-CB 2.97Å; E1387-R1788 WeakPolarHBondContact OE2-CA 3.14Å; E1387-R1788 WeakPolarHBondContact OE2-CB 2.86Å; E1387-R1788 PolarHBondContact OE2-N 2.65Å; E1387-V1865 HydrophobicContact CB-CB 3.84Å; E1387-V1865 HydrophobicContact CB-CG1 3.54Å; E1387-V1865 HydrophobicContact CG-CB 3.91Å; E1387-V1865 HydrophobicContact CG-CG1 3.94Å
1388	V	36.4	Very low	36.6	Very low	94.2 Å²	94.2	136.1 Å²	136.1	57%	0.571	69%	0.689	S	S	*	*			trans	-48.9	127.7	164.3	-176.9	0	0	0	0	110.4	R1788 A1864 V1865	V1388-R1788 PolarHBondContact O-NH2 3.38Å; V1388-A1864 VanDerWaalsContact CG2-O 3.26Å; V1388-A1864 WeakPolarHBondContact CG2-O 3.34Å; V1388-V1865 WeakPolarHBondContact CB-O 3.01Å; V1388-V1865 WeakPolarHBondContact CG2-O 3.17Å
1389	E	37	Very low	36.1	Very low	158.8 Å²	158.8	136.8 Å²	136.8	74%	0.742	69%	0.692	S	S	*	*				-79.1	134.1	108	-83.4	132.8	169.8	0	0	110.6	E1387 R1785 R1786 R1788	E1387-E1389 PolarHBondContact O-N 3.27Å; E1389-R1785 PolarHBondContact O-NH2 3.15Å; E1389-R1786 VanDerWaalsContact CB-NH1 3.29Å; E1389-R1786 PolarHBondContact O-NH1 2.89Å; E1389-R1788 IonicContact OE1-CZ 3.58Å; E1389-R1788 IonicContact OE1-NH1 3.53Å; E1389-R1788 PolarHBondContact OE1-NH1 3.45Å; E1389-R1788 IonicContact OE1-NH2 2.73Å; E1389-R1788 PolarHBondContact OE1-NH2 2.65Å; E1389-R1788 IonicContact OE2-CZ 2.77Å; E1389-R1788 IonicContact OE2-NH1 3.29Å; E1389-R1788 IonicContact OE2-NH2 3.43Å; E1389-R1788 PolarHBondContact OE2-NH2 3.35Å
1390	E	39	Very low	36.1	Very low	161 Å²	161	134.4 Å²	134.4	75%	0.752	69%	0.689	S	S	*	*				178.9	118.1	113.8	-83.5	164.6	166.7	0	0	110.7	Q1392 R1785	E1390-Q1392 HydrophobicContact CB-CG 4.43Å; E1390-R1785 PolarHBondContact O-NE 3.37Å; E1390-R1785 PolarHBondContact O-NH2 3.31Å
1391	D	33.3	Very low	35.8	Very low	129.4 Å²	129.4	138.6 Å²	138.6	69%	0.692	70%	0.696	S	S	*	*				-73.2	155.2	127.4	-88.5	-55	0	0	0	110.9	K1784 V1861 L1863	D1391-K1784 IonicContact OD1-NZ 3.13Å; D1391-K1784 PolarHBondContact OD1-NZ 3.41Å; D1391-V1861 HydrophobicContact CB-CG2 4.3Å; D1391-L1863 WeakPolarHBondContact O-CD2 3.19Å; D1391-L1863 WeakPolarHBondContact O-CG 3.46Å
1392	Q	35.7	Very low	35.5	Very low	158.4 Å²	158.4	139.1 Å²	139.1	74%	0.74	70%	0.699	S	S	*	*			trans	-23.1	138.8	167.1	-70.2	178.5	39.1	0	0	113	E1390 V1861	E1390-Q1392 HydrophobicContact CB-CG 4.43Å; Q1392-V1861 WeakPolarHBondContact O-CG1 3.26Å; Q1392-V1861 WeakPolarHBondContact O-CG2 3.48Å
1393	D	32	Very low	34.8	Very low	127.4 Å²	127.4	139.5 Å²	139.5	68%	0.681	70%	0.701	S	S	*	*				120.3	136.2	117.8	-88.6	-10.3	0	0	0	116.2	S1395 V1861	D1393-S1395 PolarHBondContact O-N 2.89Å; D1393-S1395 VanDerWaalsContact O-N 3.1Å; D1393-V1861 WeakPolarHBondContact O-CG1 3.23Å
1394	P	38.5	Very low	34.8	Very low	113.8 Å²	113.8	139.8 Å²	139.8	74%	0.739	71%	0.707	S	S	*	*			trans	-104.4	107.2	-163	35.5	-26.8	0	0	0	113	C1396 L1863	P1394-C1396 VanDerWaalsContact CB-SG 3.58Å; P1394-L1863 HydrophobicContact CB-CD1 4.43Å; P1394-L1863 HydrophobicContact CG-CD1 4.25Å
1395	S	32.6	Very low	34.7	Very low	112.2 Å²	112.2	139.7 Å²	139.7	79%	0.785	71%	0.712	S	S	*	*			trans	-117.6	96.6	167.8	51.4	0	0	0	0	113.1	D1393	D1393-S1395 PolarHBondContact O-N 2.89Å; D1393-S1395 VanDerWaalsContact O-N 3.1Å
1396	C	31.9	Very low	34.7	Very low	112.8 Å²	112.8	139.1 Å²	139.1	76%	0.762	72%	0.715	S	S	*	*			trans	-68.4	160.5	157	-65.2	0	0	0	0	110.1	P1394 R1398	P1394-C1396 VanDerWaalsContact CB-SG 3.58Å; C1396-R1398 HydrophobicContact CB-CB 4.07Å
1397	P	36.2	Very low	34.9	Very low	109.2 Å²	109.2	140.9 Å²	140.9	71%	0.709	72%	0.721	S	S	*	*			cis	-133.4	164.5	7.8	32.2	-13.4	0	0	0	114.9
1398	R	29.7	Very low	34.8	Very low	222.2 Å²	222.2	141.7 Å²	141.7	84%	0.838	73%	0.725	S	S	*	*			trans	59.7	116.3	142	-66.2	173.7	170.2	-176.9	-3.4	116.8	C1396 S1400	C1396-R1398 HydrophobicContact CB-CB 4.07Å; R1398-S1400 PolarHBondContact O-N 2.83Å
1399	L	30.8	Very low	34.8	Very low	161.4 Å²	161.4	141.6 Å²	141.6	85%	0.845	73%	0.726	S	S	*	*				-136.2	122.2	103.5	-77.6	178.6	0	0	0	111.3
1400	S	33	Very low	34.7	Very low	96.6 Å²	96.6	142.4 Å²	142.4	68%	0.676	73%	0.73	S	S	*	*			trans	-81.4	133.7	147.1	39.7	0	0	0	0	111	R1398 E1402 L1403	R1398-S1400 PolarHBondContact O-N 2.83Å; S1400-E1402 WeakPolarHBondContact O-CA 3.41Å; S1400-L1403 PolarHBondContact O-N 2.87Å; S1400-L1403 PolarHBondContact OG-N 2.98Å
1401	R	34.9	Very low	34.5	Very low	201.8 Å²	201.8	140.5 Å²	140.5	76%	0.762	73%	0.729	S	S	*	*				146.4	136.7	81.6	-136.6	173.5	162.2	146.8	-0.8	110.4	L1403	R1401-L1403 WeakPolarHBondContact CD-O 3.11Å; R1401-L1403 PolarHBondContact NE-O 3.17Å
1402	E	36.3	Very low	34.4	Very low	142.4 Å²	142.4	140.8 Å²	140.8	67%	0.665	73%	0.73	S	S	*	*				58.6	128.2	-104.2	-73.2	172.3	161.7	0	0	113.9	S1400 L1404	S1400-E1402 WeakPolarHBondContact O-CA 3.41Å; E1402-L1404 PolarHBondContact O-N 2.91Å
1403	L	29.8	Very low	34.5	Very low	132 Å²	132	141.2 Å²	141.2	69%	0.691	73%	0.731	S	S	*	*			trans	64.5	108.7	141.9	-72.8	176.4	0	0	0	112	Q883 C884 S1400 R1401	Q883-L1403 HydrophobicContact CB-CB 4.43Å; Q883-L1403 HydrophobicContact CB-CD2 3.84Å; Q883-L1403 HydrophobicContact CG-CD2 3.64Å; Q883-L1403 VanDerWaalsContact OE1-CA 3.31Å; C884-L1403 HydrophobicContact CB-CD1 4.01Å; C884-L1403 HydrophobicContact CB-CD2 3.83Å; S1400-L1403 PolarHBondContact O-N 2.87Å; S1400-L1403 PolarHBondContact OG-N 2.98Å; R1401-L1403 WeakPolarHBondContact CD-O 3.11Å; R1401-L1403 PolarHBondContact NE-O 3.17Å
1404	L	36.7	Very low	34.5	Very low	132 Å²	132	141.1 Å²	141.1	69%	0.691	73%	0.731	S	S	*	*			trans	-130.5	114.5	131.1	-88.6	173.8	0	0	0	108.4	Q883 C884 E1402 E1406	Q883-L1404 HydrophobicContact CB-CD2 4.18Å; Q883-L1404 HydrophobicContact CB-CG 4.07Å; Q883-L1404 WeakPolarHBondContact O-CD2 3.28Å; C884-L1404 WeakPolarHBondContact O-CD1 3.49Å; C884-L1404 WeakPolarHBondContact O-CG 3.18Å; E1402-L1404 PolarHBondContact O-N 2.91Å; L1404-E1406 HydrophobicContact CB-CG 4.17Å; L1404-E1406 PolarHBondContact O-N 2.92Å
1405	D	37.2	Very low	34.5	Very low	120.2 Å²	120.2	140.3 Å²	140.3	64%	0.643	73%	0.728	S	S	*	*				8.3	123.6	109.7	-139.2	-11	0	0	0	113.8	E881 Q882 Q883 K1407	E881-D1405 HydrophobicContact CB-CB 4.08Å; Q882-D1405 PolarHBondContact N-OD2 2.94Å; Q883-D1405 PolarHBondContact N-OD2 3.2Å; D1405-K1407 HydrophobicContact CB-CG 4.4Å
1406	E	36.1	Very low	34.5	Very low	160.2 Å²	160.2	140.9 Å²	140.9	75%	0.749	72%	0.722	S	S	*	*			trans	-79.3	88	166.1	-70.6	-164.9	171.1	0	0	114.4	E881 L1404	E881-E1406 PolarHBondContact OE2-N 3.5Å; L1404-E1406 HydrophobicContact CB-CG 4.17Å; L1404-E1406 PolarHBondContact O-N 2.92Å
1407	K	41.4	Very low	34.5	Very low	166.6 Å²	166.6	140.6 Å²	140.6	72%	0.724	71%	0.713	S	S	*	*				-152.6	98.9	123.4	-90.1	-77.7	172.9	174.4	0	115.5	D1405 P1409 Y2098	D1405-K1407 HydrophobicContact CB-CG 4.4Å; K1407-P1409 WeakPolarHBondContact O-CD 3.49Å; K1407-Y2098 PolarHBondContact O-OH 3.04Å; K1407-Y2098 VanDerWaalsContact O-OH 3.1Å
1408	E	33	Very low	34.4	Very low	162.2 Å²	162.2	144.2 Å²	144.2	76%	0.758	71%	0.712	S	S	*	*			trans	2.1	151.8	135.7	-76.4	-172.5	154.3	0	0	116.6
1409	P	36.6	Very low	34.6	Very low	92.8 Å²	92.8	138.1 Å²	138.1	60%	0.603	70%	0.703	S	S	*	*			trans	-125.2	168	152.4	36.2	-21.4	0	0	0	113.9	K1407	K1407-P1409 WeakPolarHBondContact O-CD 3.49Å
1410	E	34.8	Very low	34.5	Very low	176.8 Å²	176.8	140.1 Å²	140.1	83%	0.826	70%	0.701	S	S	*	*			trans	79.7	118.3	143.8	-74.3	-175	-173.8	0	0	115.8
1411	V	34.3	Very low	34.6	Very low	119.4 Å²	119.4	140.4 Å²	140.4	72%	0.724	70%	0.703	S	S	*	*			trans	-128.6	126.3	131.1	-128.7	0	0	0	0	111.3	A2096	V1411-A2096 HydrophobicContact CG2-CB 3.72Å
1412	L	31.5	Very low	34.4	Very low	137 Å²	137	137.9 Å²	137.9	72%	0.717	70%	0.703	S	S	*	*			trans	-86.2	117.1	159.6	-79.3	168.3	0	0	0	112.3	D1414	L1412-D1414 HydrophobicContact CB-CB 4.21Å; L1412-D1414 HydrophobicContact CD2-CB 4.45Å; L1412-D1414 PolarHBondContact O-N 3.31Å
1413	Q	36.5	Very low	34.1	Very low	165.2 Å²	165.2	135.8 Å²	135.8	77%	0.772	70%	0.701	S	S	*	*			trans	-103.9	107.1	147.1	-90.5	157.7	16.1	0	0	111.1	S1415 L1416	Q1413-S1415 PolarHBondContact O-N 2.87Å; Q1413-S1415 VanDerWaalsContact O-N 3.15Å; Q1413-L1416 HydrophobicContact CB-CD1 4.13Å; Q1413-L1416 HydrophobicContact CB-CG 4.46Å; Q1413-L1416 HydrophobicContact CG-CD1 3.87Å; Q1413-L1416 HydrophobicContact CG-CG 4.26Å
1414	D	33.3	Very low	34	Very low	126.4 Å²	126.4	133.9 Å²	133.9	68%	0.676	70%	0.699	S	S	*	*			trans	156	94.3	136.7	-111.3	0.1	0	0	0	111.5	L1412 L1416	L1412-D1414 HydrophobicContact CB-CB 4.21Å; L1412-D1414 HydrophobicContact CD2-CB 4.45Å; L1412-D1414 PolarHBondContact O-N 3.31Å; D1414-L1416 PolarHBondContact O-N 3.07Å; D1414-L1416 VanDerWaalsContact O-N 3.11Å
1415	S	36.8	Very low	33.8	Very low	97.6 Å²	97.6	130.5 Å²	130.5	68%	0.683	70%	0.696	S	S	*	*			trans	-130.9	72.6	162	52.4	0	0	0	0	112.5	Q1413	Q1413-S1415 PolarHBondContact O-N 2.87Å; Q1413-S1415 VanDerWaalsContact O-N 3.15Å
1416	L	33.8	Very low	33.3	Very low	123.6 Å²	123.6	133.7 Å²	133.7	65%	0.647	70%	0.701	S	S	*	*			trans	-47.3	143	161	-74.6	159.3	0	0	0	115.1	Q1413 D1414 R1418	Q1413-L1416 HydrophobicContact CB-CD1 4.13Å; Q1413-L1416 HydrophobicContact CB-CG 4.46Å; Q1413-L1416 HydrophobicContact CG-CD1 3.87Å; Q1413-L1416 HydrophobicContact CG-CG 4.26Å; D1414-L1416 PolarHBondContact O-N 3.07Å; D1414-L1416 VanDerWaalsContact O-N 3.11Å; L1416-R1418 PolarHBondContact O-N 3Å
1417	D	32.2	Very low	33.1	Very low	107.8 Å²	107.8	131.9 Å²	131.9	58%	0.576	70%	0.696	S	S	*	*			trans	-1.7	119.2	164.4	-91.9	-40	0	0	0	115.7	C1419	D1417-C1419 PolarHBondContact O-N 3.07Å
1418	R	34	Very low	32.7	Very low	183.4 Å²	183.4	129.9 Å²	129.9	69%	0.692	69%	0.689	S	S	*	*			trans	-156.6	118.1	147.4	-120.7	179.3	-129.7	-160.2	0.5	112.8	L1416 Y1420	L1416-R1418 PolarHBondContact O-N 3Å; R1418-Y1420 VanDerWaalsContact C-N 3.31Å; R1418-Y1420 HydrophobicContact CB-CD2 4.16Å; R1418-Y1420 HydrophobicContact CB-CG 4.47Å; R1418-Y1420 HydrophobicContact CG-CD2 4.43Å; R1418-Y1420 HydrophobicContact CG-CE2 4.5Å; R1418-Y1420 PolarHBondContact O-N 2.92Å
1419	C	33.1	Very low	33	Very low	95.6 Å²	95.6	128.1 Å²	128.1	65%	0.646	68%	0.684	S	S	*	*				5.1	98.1	105.6	-66.9	0	0	0	0	114.5	D1417 S1421	D1417-C1419 PolarHBondContact O-N 3.07Å; C1419-S1421 WeakPolarHBondContact O-CB 3.42Å; C1419-S1421 PolarHBondContact O-N 3.04Å; C1419-S1421 PolarHBondContact O-OG 3.26Å
1420	Y	29.9	Very low	32.8	Very low	202.8 Å²	202.8	127.9 Å²	127.9	80%	0.795	68%	0.683	S	S	*	*			trans	-65.4	132.9	133.7	-77.6	-82.1	0	0	0	110.2	R1418 I1422	R1418-Y1420 VanDerWaalsContact C-N 3.31Å; R1418-Y1420 HydrophobicContact CB-CD2 4.16Å; R1418-Y1420 HydrophobicContact CB-CG 4.47Å; R1418-Y1420 HydrophobicContact CG-CD2 4.43Å; R1418-Y1420 HydrophobicContact CG-CE2 4.5Å; R1418-Y1420 PolarHBondContact O-N 2.92Å; Y1420-I1422 HydrophobicContact CD1-CD1 4.32Å; Y1420-I1422 HydrophobicContact CE1-CD1 4.28Å
1421	S	33.4	Very low	32.7	Very low	103 Å²	103	125 Å²	125	72%	0.72	67%	0.673	S	S	*	*			trans	-112.7	103.4	144.4	-65.5	0	0	0	0	112.1	C1419 P1423	C1419-S1421 WeakPolarHBondContact O-CB 3.42Å; C1419-S1421 PolarHBondContact O-N 3.04Å; C1419-S1421 PolarHBondContact O-OG 3.26Å; S1421-P1423 WeakPolarHBondContact O-CD 3.09Å
1422	I	30.8	Very low	32.5	Very low	149.2 Å²	149.2	126.2 Å²	126.2	77%	0.765	67%	0.674	S	S	*	*			trans	-109.4	139.6	160.5	-59.3	170.8	0	0	0	108.4	Y1420 S1424	Y1420-I1422 HydrophobicContact CD1-CD1 4.32Å; Y1420-I1422 HydrophobicContact CE1-CD1 4.28Å; I1422-S1424 PolarHBondContact O-N 3.39Å
1423	P	29.7	Very low	32.5	Very low	97.2 Å²	97.2	122.2 Å²	122.2	63%	0.631	67%	0.667	S	S	*	*				-103	147	127.4	15.9	0.1	0	0	0	113.5	S1421 G1425 K1651 E1652	S1421-P1423 WeakPolarHBondContact O-CD 3.09Å; P1423-G1425 PolarHBondContact O-N 3.14Å; P1423-K1651 CarbonylContact C-O 3.08Å; P1423-K1651 WeakPolarHBondContact CB-O 3.31Å; P1423-K1651 HydrophobicContact CG-CB 4.13Å; P1423-K1651 VanDerWaalsContact CG-O 3.29Å; P1423-K1651 WeakPolarHBondContact CG-O 3.06Å; P1423-E1652 VanDerWaalsContact CD-C 3.45Å; P1423-E1652 VanDerWaalsContact CD-O 3.31Å; P1423-E1652 WeakPolarHBondContact CD-O 3.07Å; P1423-E1652 VanDerWaalsContact O-CA 3.28Å; P1423-E1652 WeakPolarHBondContact O-CA 3.38Å
1424	S	27.7	Very low	32.5	Very low	92.4 Å²	92.4	122.4 Å²	122.4	65%	0.646	67%	0.668	S	S	*	*			trans	8.7	129.6	159.7	72.3	0	0	0	0	116.7	I1422 Y1426 E1650 K1651 E1652	I1422-S1424 PolarHBondContact O-N 3.39Å; S1424-Y1426 VanDerWaalsContact CB-CD2 3.46Å; S1424-Y1426 WeakPolarHBondContact O-CD2 3.48Å; S1424-Y1426 PolarHBondContact O-N 2.71Å; S1424-Y1426 WeakPolarHBondContact OG-CE2 3.16Å; S1424-E1650 VanDerWaalsContact OG-C 3.27Å; S1424-E1650 PolarHBondContact OG-O 2.9Å; S1424-K1651 CarbonylContact C-O 3.49Å; S1424-K1651 WeakPolarHBondContact CB-O 3.24Å; S1424-K1651 PolarHBondContact N-O 3.09Å; S1424-K1651 CarbonylContact O-C 2.91Å; S1424-K1651 VanDerWaalsContact O-C 3.25Å; S1424-K1651 PolarHBondContact OG-N 3.17Å; S1424-K1651 PolarHBondContact OG-O 2.93Å; S1424-E1652 PolarHBondContact O-N 2.73Å
1425	G	32.6	Very low	32.4	Very low	61.4 Å²	61.4	120.9 Å²	120.9	63%	0.633	67%	0.665	S	S	*	*			trans	-146.9	96.3	153.4	0	0	0	0	0	112.7	P1423 L1427	P1423-G1425 PolarHBondContact O-N 3.14Å; G1425-L1427 PolarHBondContact O-N 3.23Å; G1425-L1427 VanDerWaalsContact O-N 3.14Å
1426	Y	28.2	Very low	32.3	Very low	186.6 Å²	186.6	126.6 Å²	126.6	73%	0.732	67%	0.673	S	S	*	*			trans	-64	121.6	137.4	-85.6	-96.2	0	0	0	111.9	S1424 D1649	S1424-Y1426 VanDerWaalsContact CB-CD2 3.46Å; S1424-Y1426 WeakPolarHBondContact O-CD2 3.48Å; S1424-Y1426 PolarHBondContact O-N 2.71Å; S1424-Y1426 WeakPolarHBondContact OG-CE2 3.16Å; Y1426-D1649 HydrophobicContact CD1-CB 4.49Å; Y1426-D1649 VanDerWaalsContact CE1-CA 3.45Å; Y1426-D1649 HydrophobicContact CE1-CB 3.89Å; Y1426-D1649 WeakPolarHBondContact CE1-OD1 3.5Å; Y1426-D1649 PolarHBondContact OH-OD1 3.09Å
1427	L	32.1	Very low	32.2	Very low	123 Å²	123	125.5 Å²	125.5	64%	0.644	68%	0.675	S	S	*	*			trans	117.1	122.8	145.5	-122.3	95	0	0	0	113.2	G1425 E1646 L1647 L1648	G1425-L1427 PolarHBondContact O-N 3.23Å; G1425-L1427 VanDerWaalsContact O-N 3.14Å; L1427-E1646 HydrophobicContact CD2-CB 4.43Å; L1427-L1647 CarbonylContact C-O 3.25Å; L1427-L1647 WeakPolarHBondContact CA-O 3.4Å; L1427-L1648 PolarHBondContact N-O 3.15Å
1428	E	32.5	Very low	32.1	Very low	125.2 Å²	125.2	125.1 Å²	125.1	59%	0.585	68%	0.681	S	S	*	*			cis	-116	156.3	-18.4	-118.6	177.6	172.1	0	0	110.4	C1152 R1645 E1646 L1647	C1152-E1428 HydrophobicContact CB-CG 3.99Å; C1152-E1428 VanDerWaalsContact SG-CG 3.59Å; C1152-E1428 PolarHBondContact SG-OE1 3.15Å; C1152-E1428 VanDerWaalsContact SG-OE1 3.32Å; E1428-R1645 CarbonylContact O-C 3.22Å; E1428-R1645 VanDerWaalsContact O-C 3.24Å; E1428-R1645 WeakPolarHBondContact O-CA 2.93Å; E1428-R1645 PolarHBondContact O-N 3.08Å; E1428-E1646 CarbonylContact O-C 3.15Å; E1428-E1646 WeakPolarHBondContact O-CA 3.47Å; E1428-E1646 PolarHBondContact O-N 2.83Å; E1428-L1647 WeakPolarHBondContact CB-O 3.12Å; E1428-L1647 WeakPolarHBondContact CG-O 3.35Å; E1428-L1647 PolarHBondContact N-O 2.83Å; E1428-L1647 WeakPolarHBondContact OE2-CB 3.48Å
1429	L	38	Very low	32.1	Very low	122.8 Å²	122.8	120 Å²	120	64%	0.643	68%	0.678	S	S	*	*			trans	61	173.2	156.9	-67.9	162.9	0	0	0	113.7	S1151 P1153 S1644 R1645 E1646	S1151-L1429 CarbonylContact O-C 3.49Å; S1151-L1429 VanDerWaalsContact O-C 3.25Å; P1153-L1429 WeakPolarHBondContact O-CD2 3.37Å; L1429-S1644 CarbonylContact C-O 3.32Å; L1429-S1644 WeakPolarHBondContact CA-O 3.19Å; L1429-S1644 CarbonylContact O-C 3.59Å; L1429-R1645 CarbonylContact O-C 3.55Å; L1429-R1645 PolarHBondContact O-N 2.81Å; L1429-E1646 PolarHBondContact O-N 2.85Å
1430	P	33.5	Very low	32	Very low	89.8 Å²	89.8	120.3 Å²	120.3	58%	0.583	68%	0.677	S	S	*	*			cis	-129.7	162.8	-10.1	40.2	-23.9	0	0	0	113.7	P1150 S1151 P1153 L1432 S1644	P1150-P1430 HydrophobicContact CB-CG 3.39Å; P1150-P1430 HydrophobicContact CG-CG 3.54Å; P1150-P1430 WeakPolarHBondContact O-CD 3.49Å; S1151-P1430 WeakPolarHBondContact O-CB 3.44Å; S1151-P1430 WeakPolarHBondContact O-CD 3Å; S1151-P1430 WeakPolarHBondContact O-CG 3.09Å; S1151-P1430 VanDerWaalsContact OG-CG 3.22Å; S1151-P1430 WeakPolarHBondContact OG-CG 3.39Å; P1153-P1430 VanDerWaalsContact CD-CB 3.5Å; P1430-L1432 PolarHBondContact O-N 3.29Å; P1430-S1644 PolarHBondContact O-OG 3.2Å
1431	D	32	Very low	32.4	Very low	115.2 Å²	115.2	119.8 Å²	119.8	62%	0.616	68%	0.675	S	S	*	*				-116.8	139.2	94.4	-98.9	-25.2	0	0	0	114.9	P1150 G1433 Q1434 P1641	P1150-D1431 VanDerWaalsContact CB-OD1 3.25Å; P1150-D1431 WeakPolarHBondContact CB-OD1 3.44Å; P1150-D1431 HydrophobicContact CG-CB 4.2Å; P1150-D1431 WeakPolarHBondContact CG-OD1 3.3Å; P1150-D1431 VanDerWaalsContact CG-OD2 3.26Å; P1150-D1431 WeakPolarHBondContact CG-OD2 3.31Å; D1431-G1433 WeakPolarHBondContact OD1-CA 3.31Å; D1431-Q1434 PolarHBondContact OD1-N 3.13Å; D1431-Q1434 PolarHBondContact OD1-NE2 3.23Å; D1431-Q1434 PolarHBondContact OD2-NE2 3.4Å; D1431-P1641 WeakPolarHBondContact O-CB 3.11Å
1432	L	31.3	Very low	32.6	Very low	144.2 Å²	144.2	118.9 Å²	118.9	76%	0.755	67%	0.669	S	S	*	*				75.5	90.6	100.3	-73.9	159.5	0	0	0	115.1	P1153 P1430 Q1434	P1153-L1432 HydrophobicContact CG-CG 4.28Å; P1430-L1432 PolarHBondContact O-N 3.29Å; L1432-Q1434 HydrophobicContact CD2-CB 4.13Å; L1432-Q1434 HydrophobicContact CD2-CG 3.61Å; L1432-Q1434 PolarHBondContact O-N 2.68Å
1433	G	30.4	Very low	32.8	Very low	54.8 Å²	54.8	117.9 Å²	117.9	57%	0.565	66%	0.664	S	S	*	*				153.7	79.7	103	0	0	0	0	0	115.9	D1431	D1431-G1433 WeakPolarHBondContact OD1-CA 3.31Å
1434	Q	36.7	Very low	33.2	Very low	168.4 Å²	168.4	120.6 Å²	120.6	79%	0.787	67%	0.668	S	S	*	*			trans	-129	123.8	161.5	-73.5	-74.4	-52.7	0	0	112.3	D1431 L1432	D1431-Q1434 PolarHBondContact OD1-N 3.13Å; D1431-Q1434 PolarHBondContact OD1-NE2 3.23Å; D1431-Q1434 PolarHBondContact OD2-NE2 3.4Å; L1432-Q1434 HydrophobicContact CD2-CB 4.13Å; L1432-Q1434 HydrophobicContact CD2-CG 3.61Å; L1432-Q1434 PolarHBondContact O-N 2.68Å
1435	P	31.3	Very low	33.7	Very low	94 Å²	94	123.7 Å²	123.7	61%	0.61	67%	0.673	S	S	*	*			trans	-115.4	173.9	-164.7	38.5	-30.5	0	0	0	115.3
1436	Y	34.2	Very low	33.8	Very low	218.6 Å²	218.6	129 Å²	129	86%	0.857	68%	0.681	S	S	*	*			trans	78.7	131.9	175.6	-61.6	-79.3	0	0	0	113.8
1437	S	31.6	Very low	34	Very low	100.4 Å²	100.4	129.8 Å²	129.8	70%	0.702	68%	0.684	S	S	*	*			cis	163.4	134.6	3.3	168.3	0	0	0	0	111.6	A1439	S1437-A1439 PolarHBondContact O-N 3.31Å
1438	S	31.5	Very low	34	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	69%	0.692	S	S	*	*			trans	67.1	136.4	150.8	74.1	0	0	0	0	115.4	D760	D760-S1438 WeakPolarHBondContact OD1-CB 3.25Å
1439	A	33.4	Very low	34.3	Very low	76.2 Å²	76.2	128.8 Å²	128.8	63%	0.63	70%	0.7	S	S	*	*			trans	-146.5	127.6	163.7	0	0	0	0	0	110.9	D760 R761 Y763 S1437	D760-A1439 CarbonylContact C-O 3.58Å; D760-A1439 WeakPolarHBondContact CA-O 3.39Å; D760-A1439 WeakPolarHBondContact CB-O 3.17Å; D760-A1439 PolarHBondContact OD1-N 3.49Å; D760-A1439 VanDerWaalsContact OD1-O 3.08Å; D760-A1439 PolarHBondContact OD2-N 3.38Å; R761-A1439 WeakPolarHBondContact CB-O 3.24Å; R761-A1439 PolarHBondContact N-O 3.19Å; Y763-A1439 HydrophobicContact CE2-CB 3.97Å; S1437-A1439 PolarHBondContact O-N 3.31Å
1440	V	30.9	Very low	34.1	Very low	102.8 Å²	102.8	130.4 Å²	130.4	62%	0.623	71%	0.708	S	S	*	*				89.8	107.3	85.6	-163.1	0	0	0	0	112.6	L759 D760 R761 G804 S1442	L759-V1440 HydrophobicContact CB-CG1 4.1Å; L759-V1440 HydrophobicContact CB-CG2 4.17Å; L759-V1440 HydrophobicContact CD1-CG2 4.34Å; L759-V1440 HydrophobicContact CD2-CB 4.49Å; L759-V1440 HydrophobicContact CD2-CG1 3.72Å; L759-V1440 HydrophobicContact CD2-CG2 3.99Å; L759-V1440 HydrophobicContact CG-CG1 4.46Å; L759-V1440 HydrophobicContact CG-CG2 4.36Å; D760-V1440 VanDerWaalsContact O-CG1 3.28Å; D760-V1440 WeakPolarHBondContact O-CG1 3.21Å; R761-V1440 PolarHBondContact NE-O 2.77Å; R761-V1440 PolarHBondContact NH1-O 3.31Å; G804-V1440 WeakPolarHBondContact O-CA 3.28Å; V1440-S1442 PolarHBondContact O-OG 3.12Å
1441	Y	39.4	Very low	34.4	Very low	191 Å²	191	130.2 Å²	130.2	75%	0.749	71%	0.714	S	S	*	*			trans	-135.7	135.8	139.1	-98	-60.3	0	0	0	109.3	D760 R761 G804 K805 E1652 P1653	D760-Y1441 VanDerWaalsContact O-CD1 3.26Å; D760-Y1441 WeakPolarHBondContact O-CD1 3.23Å; R761-Y1441 VanDerWaalsContact CZ-O 3.3Å; R761-Y1441 PolarHBondContact NE-O 2.79Å; R761-Y1441 PolarHBondContact NH2-O 2.76Å; G804-Y1441 CarbonylContact C-O 3.5Å; G804-Y1441 WeakPolarHBondContact CA-O 3.47Å; G804-Y1441 PolarHBondContact N-O 3.15Å; G804-Y1441 PolarHBondContact O-N 3.42Å; K805-Y1441 PolarHBondContact N-O 3.27Å; Y1441-E1652 HydrophobicContact CD2-CG 4.31Å; Y1441-E1652 HydrophobicContact CE2-CG 3.82Å; Y1441-E1652 VanDerWaalsContact CZ-CD 3.42Å; Y1441-E1652 PolarHBondContact OH-OE1 3Å; Y1441-E1652 PolarHBondContact OH-OE2 3.37Å; Y1441-E1652 VanDerWaalsContact OH-OE2 3.12Å; Y1441-P1653 HydrophobicContact CD1-CB 4.45Å; Y1441-P1653 HydrophobicContact CD1-CG 3.98Å; Y1441-P1653 HydrophobicContact CD2-CB 4.26Å; Y1441-P1653 HydrophobicContact CG-CB 3.9Å; Y1441-P1653 HydrophobicContact CG-CG 3.92Å
1442	S	36.5	Very low	34.6	Very low	85 Å²	85	132.1 Å²	132.1	59%	0.594	72%	0.723	S	S	*	*			trans	-95.4	147.9	150.7	-98.8	0	0	0	0	112.6	C762 V1440	C762-S1442 WeakPolarHBondContact SG-CB 3.4Å; C762-S1442 PolarHBondContact SG-OG 2.74Å; C762-S1442 VanDerWaalsContact SG-OG 3.32Å; V1440-S1442 PolarHBondContact O-OG 3.12Å
1443	L	35.9	Very low	35.1	Very low	127.2 Å²	127.2	132.3 Å²	132.3	67%	0.666	73%	0.725	S	S	*	*			trans	-157.9	174.1	138.4	-152.7	84.5	0	0	0	108	E1445	L1443-E1445 WeakPolarHBondContact CD2-OE1 2.9Å
1444	E	37.7	Very low	35.7	Very low	154 Å²	154	135.4 Å²	135.4	72%	0.72	73%	0.733	S	S	*	*			trans	34.6	117.7	161.9	-70.9	131.5	-161.4	0	0	117.2
1445	E	37.6	Very low	35.7	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	73%	0.731	S	S	*	*				118.4	127	77.9	-72.6	167.7	-168.6	0	0	111.6	L1443 Y1447	L1443-E1445 WeakPolarHBondContact CD2-OE1 2.9Å; E1445-Y1447 WeakPolarHBondContact OE2-CE2 3.21Å
1446	Q	35.1	Very low	36.1	Very low	171.2 Å²	171.2	139.2 Å²	139.2	80%	0.8	74%	0.738	S	S	*	*				154	126.4	87.5	-102.2	-167.9	-22.5	0	0	113.3	L1448	Q1446-L1448 PolarHBondContact O-N 3.34Å
1447	Y	32	Very low	36.2	Very low	205 Å²	205	135 Å²	135	80%	0.804	73%	0.729	S	S	*	*			trans	174.7	135.3	151.8	-99.9	-116.2	0	0	0	115.2	E1445 G1449	E1445-Y1447 WeakPolarHBondContact OE2-CE2 3.21Å; Y1447-G1449 PolarHBondContact O-N 3.24Å
1448	L	32.9	Very low	36.4	Very low	152.4 Å²	152.4	138.1 Å²	138.1	80%	0.798	73%	0.73	S	S	*	*			trans	-117	119.8	153.9	-132.6	80.3	0	0	0	113	Q1446 L1450	Q1446-L1448 PolarHBondContact O-N 3.34Å; L1448-L1450 HydrophobicContact CD1-CG 4.26Å; L1448-L1450 HydrophobicContact CD2-CB 4.26Å; L1448-L1450 HydrophobicContact CD2-CD1 4.12Å; L1448-L1450 HydrophobicContact CD2-CD2 3.51Å; L1448-L1450 HydrophobicContact CD2-CG 3.8Å; L1448-L1450 VanDerWaalsContact CD2-CG 3.5Å; L1448-L1450 HydrophobicContact CG-CG 4.27Å; L1448-L1450 PolarHBondContact O-N 2.81Å
1449	G	38.1	Very low	36.6	Very low	73.4 Å²	73.4	140.2 Å²	140.2	76%	0.757	73%	0.727	S	S	*	*			trans	-106	109.7	168.8	0	0	0	0	0	113.6	Y1447 A1451	Y1447-G1449 PolarHBondContact O-N 3.24Å; G1449-A1451 PolarHBondContact O-N 3.11Å
1450	L	34.7	Very low	36.7	Very low	157.4 Å²	157.4	142.8 Å²	142.8	82%	0.824	73%	0.73	S	S	*	*			trans	-77.7	125.1	167.2	-76.7	171.9	0	0	0	110.1	L1448 L1452	L1448-L1450 HydrophobicContact CD1-CG 4.26Å; L1448-L1450 HydrophobicContact CD2-CB 4.26Å; L1448-L1450 HydrophobicContact CD2-CD1 4.12Å; L1448-L1450 HydrophobicContact CD2-CD2 3.51Å; L1448-L1450 HydrophobicContact CD2-CG 3.8Å; L1448-L1450 VanDerWaalsContact CD2-CG 3.5Å; L1448-L1450 HydrophobicContact CG-CG 4.27Å; L1448-L1450 PolarHBondContact O-N 2.81Å; L1450-L1452 PolarHBondContact O-N 2.93Å
1451	A	39.7	Very low	36.8	Very low	85.6 Å²	85.6	145 Å²	145	71%	0.707	73%	0.734	S	S	*	*			trans	-138.2	109.7	161.6	0	0	0	0	0	110	G1449 D1453	G1449-A1451 PolarHBondContact O-N 3.11Å; A1451-D1453 PolarHBondContact O-N 3.28Å
1452	L	36.8	Very low	36.6	Very low	154 Å²	154	143.5 Å²	143.5	81%	0.806	73%	0.733	S	S	*	*			trans	-98.4	115	167.2	-71.7	173.3	0	0	0	109.3	L1450 V1454	L1450-L1452 PolarHBondContact O-N 2.93Å; L1452-V1454 PolarHBondContact O-N 2.93Å
1453	D	41.7	Very low	36.6	Very low	148.8 Å²	148.8	147.5 Å²	147.5	80%	0.796	74%	0.743	S	S	*	*			trans	-100.1	122.2	165.3	-81.2	-35.9	0	0	0	109.2	A1451 D1455	A1451-D1453 PolarHBondContact O-N 3.28Å; D1453-D1455 PolarHBondContact O-N 3.31Å
1454	V	42	Very low	36.6	Very low	119.2 Å²	119.2	150.2 Å²	150.2	72%	0.722	75%	0.752	S	S	*	*			trans	-123.5	90.1	150.6	-176.2	0	0	0	0	112.2	L1452 R1456	L1452-V1454 PolarHBondContact O-N 2.93Å; V1454-R1456 PolarHBondContact O-N 2.87Å
1455	D	37.1	Very low	36.6	Very low	141.2 Å²	141.2	150.3 Å²	150.3	76%	0.755	75%	0.753	S	S	*	*			trans	-15.6	121.7	150.5	-73.3	-30.3	0	0	0	115.2	D1453 I1457	D1453-D1455 PolarHBondContact O-N 3.31Å; D1455-I1457 HydrophobicContact CB-CD1 4.3Å; D1455-I1457 HydrophobicContact CB-CG1 3.91Å
1456	R	40.2	Very low	36.5	Very low	201.4 Å²	201.4	149.8 Å²	149.8	76%	0.76	76%	0.755	S	S	*	*			trans	-153.7	105.9	143.4	-142.3	171.5	-161.9	-139	2.4	110.9	V1454 K1458	V1454-R1456 PolarHBondContact O-N 2.87Å; R1456-K1458 WeakPolarHBondContact O-CG 3.33Å; R1456-K1458 PolarHBondContact O-N 3.44Å
1457	I	35.9	Very low	36.5	Very low	130.6 Å²	130.6	148.5 Å²	148.5	67%	0.67	75%	0.749	S	S	*	*			trans	56.1	100.5	132	-57.4	165.5	0	0	0	113.7	D1455 K1459 E1558	D1455-I1457 HydrophobicContact CB-CD1 4.3Å; D1455-I1457 HydrophobicContact CB-CG1 3.91Å; I1457-K1459 HydrophobicContact CG2-CB 4.08Å; I1457-K1459 HydrophobicContact CG2-CD 4.43Å; I1457-E1558 WeakPolarHBondContact CA-O 3.21Å
1458	K	34.7	Very low	36.7	Very low	165.2 Å²	165.2	145.1 Å²	145.1	72%	0.718	75%	0.745	S	S	*	*				-27.3	125.3	124.4	-68.7	-166.7	-178.3	-179.8	0	111.1	R1456 E1558 E1559	R1456-K1458 WeakPolarHBondContact O-CG 3.33Å; R1456-K1458 PolarHBondContact O-N 3.44Å; K1458-E1558 HydrophobicContact CD-CB 3.78Å; K1458-E1558 HydrophobicContact CG-CB 4.21Å; K1458-E1558 PolarHBondContact N-O 3.01Å; K1458-E1558 IonicContact NZ-OE1 2.6Å; K1458-E1558 PolarHBondContact NZ-OE1 3.49Å; K1458-E1559 WeakPolarHBondContact CE-O 3.36Å; K1458-E1559 WeakPolarHBondContact CG-O 3.19Å
1459	K	36.9	Very low	37.2	Very low	143.8 Å²	143.8	142.3 Å²	142.3	63%	0.625	74%	0.736	S	S	*	*			cis	112.4	92.2	38.3	-128.2	-169.8	165.6	-158	0	112.4	I1457 D1560	I1457-K1459 HydrophobicContact CG2-CB 4.08Å; I1457-K1459 HydrophobicContact CG2-CD 4.43Å; K1459-D1560 HydrophobicContact CD-CB 4.43Å; K1459-D1560 VanDerWaalsContact CD-O 3.27Å; K1459-D1560 WeakPolarHBondContact CD-O 3.37Å; K1459-D1560 PolarHBondContact NZ-O 3.41Å; K1459-D1560 IonicContact NZ-OD2 3.22Å; K1459-D1560 PolarHBondContact NZ-OD2 3.39Å
1460	D	35.1	Very low	37	Very low	130.2 Å²	130.2	144.6 Å²	144.6	70%	0.696	74%	0.737	S	S	*	*			trans	-61.4	128.6	145.7	-41.6	-56.3	0	0	0	111.3
1461	Q	33.8	Very low	36.9	Very low	148.6 Å²	148.6	142.8 Å²	142.8	69%	0.694	74%	0.736	S	S	*	*				-178.1	121.3	109.9	-104.2	178.1	-43.2	0	0	110.7
1462	E	35.1	Very low	36.7	Very low	159.4 Å²	159.4	143.8 Å²	143.8	75%	0.745	74%	0.736	S	S	*	*				171.8	128.1	103.6	-101.1	157.5	169	0	0	111.6
1463	E	35.7	Very low	36.4	Very low	169.4 Å²	169.4	147.1 Å²	147.1	79%	0.792	74%	0.737	S	S	*	*			trans	74.6	145.3	152.8	-58.9	-176.3	134.1	0	0	113.5	E1465	E1463-E1465 PolarHBondContact O-N 3.01Å
1464	E	36.3	Very low	36	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	74%	0.737	S	S	*	*			cis	-133.1	154	32.6	-155.7	174	-174.5	0	0	113.3
1465	E	36.9	Very low	35.7	Very low	156.2 Å²	156.2	146.6 Å²	146.6	73%	0.73	74%	0.739	S	S	*	*			trans	-83.6	131.2	172.7	-102.5	168.7	153.5	0	0	115.6	E1463 Q1467	E1463-E1465 PolarHBondContact O-N 3.01Å; E1465-Q1467 HydrophobicContact CB-CG 4.01Å; E1465-Q1467 VanDerWaalsContact CD-NE2 3.29Å; E1465-Q1467 HydrophobicContact CG-CG 4.01Å; E1465-Q1467 PolarHBondContact OE1-NE2 3.41Å; E1465-Q1467 WeakPolarHBondContact OE2-CG 3.43Å; E1465-Q1467 PolarHBondContact OE2-NE2 3.1Å; E1465-Q1467 VanDerWaalsContact OE2-NE2 3.15Å
1466	D	36.3	Very low	36	Very low	148.4 Å²	148.4	149.9 Å²	149.9	79%	0.794	74%	0.741	S	S	*	*			trans	-120.8	115.1	146.4	-160.9	10.5	0	0	0	109.2	D1468	D1466-D1468 PolarHBondContact O-N 2.74Å; D1466-D1468 VanDerWaalsContact O-N 3.08Å
1467	Q	35.1	Very low	35.9	Very low	143.6 Å²	143.6	147.6 Å²	147.6	67%	0.671	74%	0.738	S	S	*	*			trans	-114.4	113.8	178.6	-77.7	-104.6	-17.1	0	0	113.4	E1465 P1469	E1465-Q1467 HydrophobicContact CB-CG 4.01Å; E1465-Q1467 VanDerWaalsContact CD-NE2 3.29Å; E1465-Q1467 HydrophobicContact CG-CG 4.01Å; E1465-Q1467 PolarHBondContact OE1-NE2 3.41Å; E1465-Q1467 WeakPolarHBondContact OE2-CG 3.43Å; E1465-Q1467 PolarHBondContact OE2-NE2 3.1Å; E1465-Q1467 VanDerWaalsContact OE2-NE2 3.15Å; Q1467-P1469 WeakPolarHBondContact O-CD 3.45Å
1468	D	35	Very low	35.8	Very low	133.4 Å²	133.4	148 Å²	148	71%	0.713	74%	0.741	S	S	*	*			trans	-53.4	140.6	158.4	-113.8	-26.5	0	0	0	113.6	D1466 P1470 R1473	D1466-D1468 PolarHBondContact O-N 2.74Å; D1466-D1468 VanDerWaalsContact O-N 3.08Å; D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.37Å; D1468-P1470 WeakPolarHBondContact O-CG 3.5Å; D1468-P1470 VanDerWaalsContact O-N 3.11Å; D1468-R1473 IonicContact OD1-CZ 2.75Å; D1468-R1473 IonicContact OD1-NH1 2.96Å; D1468-R1473 IonicContact OD1-NH2 3.75Å; D1468-R1473 PolarHBondContact OD1-NH2 2.8Å; D1468-R1473 IonicContact OD2-CZ 3.95Å; D1468-R1473 IonicContact OD2-NH1 3.88Å; D1468-R1473 PolarHBondContact OD2-NH1 3.11Å; D1468-R1473 IonicContact OD2-NH2 3.83Å; D1468-R1473 PolarHBondContact OD2-NH2 3.08Å
1469	P	43.4	Very low	35.9	Very low	93.2 Å²	93.2	146.2 Å²	146.2	61%	0.605	74%	0.744	S	S	*	*			trans	-103.4	158.1	-146	31.9	-24.1	0	0	0	113.1	Q1467 C1471	Q1467-P1469 WeakPolarHBondContact O-CD 3.45Å; P1469-C1471 VanDerWaalsContact C-N 3.28Å; P1469-C1471 PolarHBondContact O-N 2.81Å; P1469-C1471 VanDerWaalsContact O-N 3.1Å
1470	P	35.7	Very low	35.9	Very low	121 Å²	121	147.2 Å²	147.2	79%	0.786	75%	0.751	S	S	*	*			trans	-102.1	112	-172.5	23	-13.6	0	0	0	115.9	D1468 P1472	D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.37Å; D1468-P1470 WeakPolarHBondContact O-CG 3.5Å; D1468-P1470 VanDerWaalsContact O-N 3.11Å; P1470-P1472 WeakPolarHBondContact O-CD 3.18Å
1471	C	32.6	Very low	36.1	Very low	120.2 Å²	120.2	146.7 Å²	146.7	81%	0.812	75%	0.752	S	S	*	*			trans	-108.6	124.3	169.3	-80.1	0	0	0	0	112.7	P1469 R1473	P1469-C1471 VanDerWaalsContact C-N 3.28Å; P1469-C1471 PolarHBondContact O-N 2.81Å; P1469-C1471 VanDerWaalsContact O-N 3.1Å; C1471-R1473 WeakPolarHBondContact O-CB 3.22Å
1472	P	33.9	Very low	36.2	Very low	107.8 Å²	107.8	145.3 Å²	145.3	70%	0.7	75%	0.754	S	S	*	*			trans	-99.6	141.6	170.4	25.8	-19.6	0	0	0	114.2	P1470 L1474	P1470-P1472 WeakPolarHBondContact O-CD 3.18Å; P1472-L1474 HydrophobicContact CB-CB 3.87Å; P1472-L1474 HydrophobicContact CB-CD1 3.93Å; P1472-L1474 HydrophobicContact CB-CG 3.95Å; P1472-L1474 HydrophobicContact CG-CD1 4.35Å
1473	R	31.8	Very low	36.2	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.838	76%	0.756	S	S	*	*			trans	106.5	114.2	143.9	-82.8	-169.9	179.3	142.4	2	113.2	D1468 C1471	D1468-R1473 IonicContact OD1-CZ 2.75Å; D1468-R1473 IonicContact OD1-NH1 2.96Å; D1468-R1473 IonicContact OD1-NH2 3.75Å; D1468-R1473 PolarHBondContact OD1-NH2 2.8Å; D1468-R1473 IonicContact OD2-CZ 3.95Å; D1468-R1473 IonicContact OD2-NH1 3.88Å; D1468-R1473 PolarHBondContact OD2-NH1 3.11Å; D1468-R1473 IonicContact OD2-NH2 3.83Å; D1468-R1473 PolarHBondContact OD2-NH2 3.08Å; C1471-R1473 WeakPolarHBondContact O-CB 3.22Å
1474	L	33.2	Very low	36.4	Very low	150.4 Å²	150.4	143.1 Å²	143.1	79%	0.787	75%	0.753	S	S	*	*				119.9	119.8	71.5	-78.4	177.5	0	0	0	114.2	P1472	P1472-L1474 HydrophobicContact CB-CB 3.87Å; P1472-L1474 HydrophobicContact CB-CD1 3.93Å; P1472-L1474 HydrophobicContact CB-CG 3.95Å; P1472-L1474 HydrophobicContact CG-CD1 4.35Å
1475	S	34	Very low	36.2	Very low	108.6 Å²	108.6	142 Å²	142	76%	0.759	75%	0.748	S	S	*	*			trans	-114.5	136.8	154.8	56.4	0	0	0	0	112.3
1476	R	44.2	Very low	36.3	Very low	210.2 Å²	210.2	139.9 Å²	139.9	79%	0.793	75%	0.745	S	S	*	*			trans	-153.5	122.3	144	-148.2	-178.9	170.5	176.2	-7.8	110.3
1477	E	37.4	Very low	36.3	Very low	152.6 Å²	152.6	139.6 Å²	139.6	71%	0.713	74%	0.743	S	S	*	*			trans	-59.1	133.2	166.4	-89.5	173.1	165.1	0	0	113.7
1478	L	34.6	Very low	36.4	Very low	139.4 Å²	139.4	139.8 Å²	139.8	73%	0.73	74%	0.744	S	S	*	*				160.7	113.1	72.2	-140.1	108.8	0	0	0	112.1	E1480	L1478-E1480 HydrophobicContact CD1-CB 4.24Å; L1478-E1480 HydrophobicContact CD1-CG 3.83Å; L1478-E1480 HydrophobicContact CG-CB 4.23Å; L1478-E1480 HydrophobicContact CG-CG 4.37Å
1479	V	36.6	Very low	36.4	Very low	127.8 Å²	127.8	140.6 Å²	140.6	78%	0.775	75%	0.748	S	S	*	*			trans	148.4	117.1	142.5	170.9	0	0	0	0	111.1
1480	E	37.4	Very low	36	Very low	163.8 Å²	163.8	140.9 Å²	140.9	77%	0.765	75%	0.752	S	S	*	*				-176	131.3	93.9	-104.1	-169.5	149.4	0	0	111.8	L1478	L1478-E1480 HydrophobicContact CD1-CB 4.24Å; L1478-E1480 HydrophobicContact CD1-CG 3.83Å; L1478-E1480 HydrophobicContact CG-CB 4.23Å; L1478-E1480 HydrophobicContact CG-CG 4.37Å
1481	V	39.3	Very low	36.1	Very low	118.8 Å²	118.8	142.7 Å²	142.7	72%	0.72	76%	0.755	S	S	*	*			trans	88	110.4	150	-167.1	0	0	0	0	116.5
1482	V	36.6	Very low	36.3	Very low	120.6 Å²	120.6	143.4 Å²	143.4	73%	0.731	75%	0.75	S	S	*	*				85.4	109.5	125.5	-178.7	0	0	0	0	117.1
1483	E	34.3	Very low	36.5	Very low	168.6 Å²	168.6	147.4 Å²	147.4	79%	0.788	75%	0.751	S	S	*	*			trans	-24.3	154.3	152.2	-51.4	157	138	0	0	115.1
1484	P	39.6	Very low	36.6	Very low	112.6 Å²	112.6	141.7 Å²	141.7	73%	0.731	74%	0.744	S	S	*	*			cis	-126.2	145.6	39.7	38.6	-25.1	0	0	0	113.8
1485	E	33.2	Very low	36.7	Very low	162.2 Å²	162.2	144.3 Å²	144.3	76%	0.758	75%	0.745	S	S	*	*			trans	-51.2	150.3	168.4	-67.1	-157.4	146.3	0	0	116.1
1486	V	38.2	Very low	36.7	Very low	112.6 Å²	112.6	143.8 Å²	143.8	68%	0.682	74%	0.742	S	S	*	*			trans	124.2	145.3	138.8	-89.8	0	0	0	0	117.5	Q1488	V1486-Q1488 HydrophobicContact CG1-CG 4.34Å; V1486-Q1488 PolarHBondContact O-N 3.38Å
1487	L	35	Very low	36.1	Very low	142 Å²	142	139.7 Å²	139.7	74%	0.743	74%	0.74	S	S	*	*			trans	-61.1	129.4	153.2	-81.6	168.6	0	0	0	116.8
1488	Q	39.1	Very low	36	Very low	148.8 Å²	148.8	137.5 Å²	137.5	70%	0.695	74%	0.739	S	S	*	*			trans	6.3	108	146.8	-76	163.1	34.9	0	0	116.5	V1486 G1937 L1938 A1939	V1486-Q1488 HydrophobicContact CG1-CG 4.34Å; V1486-Q1488 PolarHBondContact O-N 3.38Å; Q1488-G1937 PolarHBondContact O-N 3.07Å; Q1488-L1938 HydrophobicContact CB-CD2 4.03Å; Q1488-L1938 HydrophobicContact CB-CG 4.47Å; Q1488-L1938 HydrophobicContact CG-CD2 4.48Å; Q1488-A1939 VanDerWaalsContact OE1-CB 3.3Å
1489	D	34.8	Very low	35.8	Very low	149.2 Å²	149.2	135.2 Å²	135.2	80%	0.798	74%	0.735	S	S	*	*			trans	-176.1	129	131.9	-96.9	-20.2	0	0	0	113.8	L1936 G1937	D1489-L1936 CarbonylContact O-C 3.45Å; D1489-L1936 VanDerWaalsContact O-CA 3.23Å; D1489-L1936 WeakPolarHBondContact O-CA 3.2Å; D1489-L1936 PolarHBondContact O-N 3.3Å; D1489-G1937 PolarHBondContact O-N 2.92Å
1490	S	34.9	Very low	35.5	Very low	99.4 Å²	99.4	134 Å²	134	70%	0.695	73%	0.732	S	S	*	*			trans	157.3	113.5	152.7	63.5	0	0	0	0	115.2	Y1935 L1936	S1490-Y1935 CarbonylContact C-O 3.19Å; S1490-Y1935 CarbonylContact O-C 3.01Å; S1490-Y1935 WeakPolarHBondContact O-CB 3.26Å; S1490-L1936 CarbonylContact O-C 3.48Å; S1490-L1936 PolarHBondContact O-N 3.32Å
1491	L	36.7	Very low	35.2	Very low	158.8 Å²	158.8	130.6 Å²	130.6	83%	0.831	73%	0.725	S	S	*	*			trans	-123.6	119.2	138.8	-74.9	171.4	0	0	0	112.3	R1493 Q1934 Y1935	L1491-R1493 PolarHBondContact O-N 3.28Å; L1491-Q1934 PolarHBondContact N-O 3.01Å; L1491-Y1935 PolarHBondContact N-O 3.2Å
1492	D	37.3	Very low	35	Very low	134.8 Å²	134.8	131.9 Å²	131.9	72%	0.721	73%	0.727	S	S	*	*			trans	-165.1	134.2	157.8	-110.2	-18.2	0	0	0	113.5	Q1934	D1492-Q1934 HydrophobicContact CB-CB 4.3Å; D1492-Q1934 PolarHBondContact N-O 2.82Å; D1492-Q1934 PolarHBondContact O-N 3.43Å
1493	R	38	Very low	34.9	Very low	192.4 Å²	192.4	133.8 Å²	133.8	73%	0.726	73%	0.728	S	S	*	*			trans	-150.5	132.6	138.7	-153.1	172.2	-120.8	179.2	0.8	112.5	L1491 Y1495 E1932	L1491-R1493 PolarHBondContact O-N 3.28Å; R1493-Y1495 PolarHBondContact O-N 3.35Å; R1493-E1932 WeakPolarHBondContact CB-O 3.3Å; R1493-E1932 VanDerWaalsContact CD-O 3.28Å; R1493-E1932 WeakPolarHBondContact CD-O 3.39Å; R1493-E1932 WeakPolarHBondContact CD-OE2 3.25Å; R1493-E1932 IonicContact CZ-OE2 3.03Å; R1493-E1932 IonicContact NE-OE2 3.82Å; R1493-E1932 PolarHBondContact NH1-O 3.1Å; R1493-E1932 IonicContact NH1-OE2 2.75Å; R1493-E1932 PolarHBondContact NH1-OE2 3.32Å
1494	C	34.6	Very low	35	Very low	102.2 Å²	102.2	133.7 Å²	133.7	69%	0.691	73%	0.728	S	S	*	*			trans	175.7	140	156.2	-84	0	0	0	0	114.4
1495	Y	34.9	Very low	35	Very low	205.4 Å²	205.4	133.3 Å²	133.3	81%	0.805	73%	0.725	S	S	*	*				-159.1	88.7	125.1	-78.4	-72.2	0	0	0	115.3	E1125 R1493 T1497	E1125-Y1495 PolarHBondContact OE2-N 3.3Å; E1125-Y1495 VanDerWaalsContact OE2-N 3.11Å; R1493-Y1495 PolarHBondContact O-N 3.35Å; Y1495-T1497 PolarHBondContact O-N 2.97Å
1496	S	33.8	Very low	35.2	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	73%	0.726	S	S	*	*			trans	-28.7	144.8	151.6	-69.9	0	0	0	0	115.6	E1125 P1498	E1125-S1496 PolarHBondContact OE2-N 3.23Å; S1496-P1498 WeakPolarHBondContact O-CD 3.21Å
1497	T	31.6	Very low	34.8	Very low	122.8 Å²	122.8	131.9 Å²	131.9	75%	0.753	73%	0.727	S	S	*	*			trans	-136.4	139.5	148.6	-3.1	0	0	0	0	114.8	L1124 Y1495	L1124-T1497 WeakPolarHBondContact CD2-O 3.35Å; Y1495-T1497 PolarHBondContact O-N 2.97Å
1498	P	35	Very low	34.7	Very low	107.8 Å²	107.8	131 Å²	131	70%	0.7	73%	0.731	S	S	*	*				-120.3	-174.3	-106.2	37.7	-24.4	0	0	0	114.8	S1496 S1500	S1496-P1498 WeakPolarHBondContact O-CD 3.21Å; P1498-S1500 PolarHBondContact O-N 3Å
1499	S	31	Very low	34.3	Very low	91.2 Å²	91.2	131.4 Å²	131.4	64%	0.638	73%	0.733	S	S	*	*			trans	99.1	124.3	146.2	22.3	0	0	0	0	115.5	E1533 K1534 K1535 G1536	S1499-E1533 VanDerWaalsContact CB-O 3.29Å; S1499-E1533 WeakPolarHBondContact CB-O 3.11Å; S1499-E1533 VanDerWaalsContact OG-C 3.32Å; S1499-E1533 PolarHBondContact OG-O 3.49Å; S1499-K1534 WeakPolarHBondContact OG-CA 3.14Å; S1499-K1534 PolarHBondContact OG-N 2.85Å; S1499-K1535 PolarHBondContact OG-N 3.04Å; S1499-K1535 VanDerWaalsContact OG-N 3.11Å; S1499-G1536 PolarHBondContact O-N 3.31Å
1500	S	30.4	Very low	34.4	Very low	102.6 Å²	102.6	129 Å²	129	72%	0.717	73%	0.725	S	S	*	*				-115.9	143.9	122.5	71.8	0	0	0	0	112	P1498 E1503 K1534 K1535 G1536	P1498-S1500 PolarHBondContact O-N 3Å; S1500-E1503 VanDerWaalsContact CB-OE1 3.28Å; S1500-E1503 WeakPolarHBondContact CB-OE1 3.32Å; S1500-E1503 PolarHBondContact OG-OE1 3.36Å; S1500-K1534 CarbonylContact O-C 3.55Å; S1500-K1534 WeakPolarHBondContact O-CA 3.36Å; S1500-K1534 VanDerWaalsContact O-CB 3.32Å; S1500-K1534 WeakPolarHBondContact O-CB 3.13Å; S1500-K1534 VanDerWaalsContact OG-CG 3.3Å; S1500-K1534 WeakPolarHBondContact OG-CG 3.17Å; S1500-K1535 CarbonylContact O-C 3.59Å; S1500-K1535 PolarHBondContact O-N 3.1Å; S1500-G1536 PolarHBondContact O-N 2.9Å
1501	C	31.4	Very low	34.1	Very low	91.2 Å²	91.2	135 Å²	135	62%	0.616	73%	0.734	S	S	*	*			trans	-162	130.3	162.6	55.6	0	0	0	0	113.1	G1536 K1895	C1501-G1536 VanDerWaalsContact CB-CA 3.41Å; C1501-G1536 WeakPolarHBondContact SG-CA 3.37Å; C1501-K1895 HydrophobicContact CB-CB 4Å; C1501-K1895 HydrophobicContact CB-CD 4.25Å; C1501-K1895 HydrophobicContact CB-CG 4.01Å; C1501-K1895 VanDerWaalsContact O-CB 3.27Å; C1501-K1895 WeakPolarHBondContact O-CB 3.35Å
1502	L	35.4	Very low	33.9	Very low	146 Å²	146	129.9 Å²	129.9	76%	0.764	72%	0.721	S	S	*	*			trans	85	120.1	164.5	-70.8	166.1	0	0	0	115.3	K1534 K1895 E1896	L1502-K1534 HydrophobicContact CD2-CD 4.33Å; L1502-K1895 HydrophobicContact CB-CB 4.41Å; L1502-K1895 HydrophobicContact CD1-CB 4.45Å; L1502-E1896 PolarHBondContact O-N 2.8Å
1503	E	34.6	Very low	33.5	Very low	160.8 Å²	160.8	128.9 Å²	128.9	75%	0.751	72%	0.724	S	S	*	*			cis	172.6	152.6	49.7	-122.7	163.9	169.3	0	0	113.1	S1500 K1534	S1500-E1503 VanDerWaalsContact CB-OE1 3.28Å; S1500-E1503 WeakPolarHBondContact CB-OE1 3.32Å; S1500-E1503 PolarHBondContact OG-OE1 3.36Å; E1503-K1534 WeakPolarHBondContact OE2-CD 3.4Å; E1503-K1534 WeakPolarHBondContact OE2-CE 3.41Å; E1503-K1534 WeakPolarHBondContact OE2-CG 3.21Å; E1503-K1534 IonicContact OE2-NZ 2.96Å
1504	Q	36.3	Very low	33.3	Very low	167.2 Å²	167.2	124.5 Å²	124.5	78%	0.781	72%	0.723	S	S	*	*			trans	-87	160.2	170.8	-65.5	-174	-82.5	0	0	112.3	D1506	Q1504-D1506 PolarHBondContact NE2-OD1 3.22Å; Q1504-D1506 PolarHBondContact NE2-OD2 3.29Å
1505	P	39.6	Very low	33.1	Very low	103.4 Å²	103.4	128.4 Å²	128.4	67%	0.671	73%	0.728	S	S	*	*			trans	-118.1	149.8	132	37.1	-24.3	0	0	0	113.8
1506	D	36	Very low	33.2	Very low	145.8 Å²	145.8	129 Å²	129	78%	0.78	73%	0.731	S	S	*	*			trans	177.9	142.2	133.3	-100.8	-30	0	0	0	113.2	Q1504	Q1504-D1506 PolarHBondContact NE2-OD1 3.22Å; Q1504-D1506 PolarHBondContact NE2-OD2 3.29Å
1507	S	30.8	Very low	33.3	Very low	101 Å²	101	128 Å²	128	71%	0.706	73%	0.729	S	S	*	*			trans	-139	133.9	164.5	65.2	0	0	0	0	113.3	Q1509	S1507-Q1509 PolarHBondContact O-N 3.01Å
1508	C	32.6	Very low	33.7	Very low	121.6 Å²	121.6	129.3 Å²	129.3	82%	0.822	73%	0.73	S	S	*	*			trans	-106.9	113.9	149.8	-75.3	0	0	0	0	113.4
1509	Q	31.6	Very low	34	Very low	156.8 Å²	156.8	132.4 Å²	132.4	73%	0.733	74%	0.735	S	S	*	*			trans	19.8	172.2	155.1	-69.5	-100.1	-24.3	0	0	112.1	S1507 Y1511	S1507-Q1509 PolarHBondContact O-N 3.01Å; Q1509-Y1511 HydrophobicContact CB-CD1 4.03Å; Q1509-Y1511 HydrophobicContact CB-CD2 4.41Å; Q1509-Y1511 HydrophobicContact CB-CE1 3.75Å; Q1509-Y1511 HydrophobicContact CB-CE2 4.19Å; Q1509-Y1511 HydrophobicContact CB-CG 4.34Å; Q1509-Y1511 HydrophobicContact CG-CD2 4.44Å; Q1509-Y1511 HydrophobicContact CG-CE1 4.06Å; Q1509-Y1511 HydrophobicContact CG-CE2 3.84Å; Q1509-Y1511 VanDerWaalsContact OE1-CD2 3.23Å; Q1509-Y1511 VanDerWaalsContact OE1-CE2 3.22Å
1510	P	35.8	Very low	34.4	Very low	99.2 Å²	99.2	134.9 Å²	134.9	64%	0.644	74%	0.736	S	S	*	*			cis	-120	160.9	-38.1	27.6	-13.8	0	0	0	115.1	G1512	P1510-G1512 CarbonylContact C-O 3.09Å; P1510-G1512 WeakPolarHBondContact CB-O 3.29Å
1511	Y	28.3	Very low	34.7	Very low	225.6 Å²	225.6	137.4 Å²	137.4	89%	0.885	73%	0.734	S	S	*	*			trans	93	145.3	138.3	-100.2	-115	0	0	0	115.3	Q1509	Q1509-Y1511 HydrophobicContact CB-CD1 4.03Å; Q1509-Y1511 HydrophobicContact CB-CD2 4.41Å; Q1509-Y1511 HydrophobicContact CB-CE1 3.75Å; Q1509-Y1511 HydrophobicContact CB-CE2 4.19Å; Q1509-Y1511 HydrophobicContact CB-CG 4.34Å; Q1509-Y1511 HydrophobicContact CG-CD2 4.44Å; Q1509-Y1511 HydrophobicContact CG-CE1 4.06Å; Q1509-Y1511 HydrophobicContact CG-CE2 3.84Å; Q1509-Y1511 VanDerWaalsContact OE1-CD2 3.23Å; Q1509-Y1511 VanDerWaalsContact OE1-CE2 3.22Å
1512	G	33.6	Very low	35.1	Very low	52.6 Å²	52.6	140.2 Å²	140.2	54%	0.542	74%	0.738	S	S	.	*			trans	-171.2	118.2	139.6	0	0	0	0	0	113.5	P1510	P1510-G1512 CarbonylContact C-O 3.09Å; P1510-G1512 WeakPolarHBondContact CB-O 3.29Å
1513	S	28.2	Very low	35.1	Very low	113.4 Å²	113.4	139.2 Å²	139.2	79%	0.793	74%	0.738	S	S	*	*				57.7	116.3	104.5	69.6	0	0	0	0	115.8
1514	S	34.6	Very low	35.1	Very low	99.4 Å²	99.4	134.3 Å²	134.3	70%	0.695	73%	0.731	S	S	*	*			trans	161.2	139.7	138.3	60.9	0	0	0	0	114.8
1515	F	30	Very low	34.9	Very low	185 Å²	185	135.5 Å²	135.5	81%	0.811	73%	0.734	S	S	*	*			trans	-111.7	142.5	157.4	-65.4	-85.3	0	0	0	113.9
1516	Y	37.1	Very low	34.5	Very low	218.4 Å²	218.4	135 Å²	135	86%	0.856	73%	0.732	S	S	*	*				-153.5	164	114	-78	-90.2	0	0	0	112.1	G2256	Y1516-G2256 PolarHBondContact OH-O 2.84Å
1517	A	36.3	Very low	34.3	Very low	77.2 Å²	77.2	135 Å²	135	64%	0.638	73%	0.732	S	S	*	*			cis	154.1	135.5	-20	0	0	0	0	0	112.7
1518	L	39.3	Very low	34.4	Very low	149.8 Å²	149.8	136.8 Å²	136.8	78%	0.784	73%	0.734	S	S	*	*			trans	112.6	130.6	167.5	-71.8	172	0	0	0	111
1519	E	40.5	Very low	34.5	Very low	172.6 Å²	172.6	136.7 Å²	136.7	81%	0.807	73%	0.729	S	S	*	*				98.9	134.7	84.8	-92.9	179.7	-166.3	0	0	112.8	K1521	E1519-K1521 IonicContact OE2-NZ 3.82Å
1520	E	39.2	Very low	34.6	Very low	142.6 Å²	142.6	131.8 Å²	131.8	67%	0.666	72%	0.721	S	S	*	*			trans	-163.7	0	161.5	-161.8	-174.8	164.6	0	0	112.5
1521	K	38.5	Very low	34.5	Very low	155.4 Å²	155.4	134.6 Å²	134.6	68%	0.676	73%	0.725	S	S	*	*				0	136.2	0	-61.2	169.3	172.7	178.9	0	115.8	E1519	E1519-K1521 IonicContact OE2-NZ 3.82Å
1522	H	38.6	Very low	35	Very low	150.6 Å²	150.6	130.5 Å²	130.5	70%	0.697	72%	0.717	S	S	*	*			trans	-111.3	123.5	159.4	-76.2	-63.3	0	0	0	114.1	G1524	H1522-G1524 PolarHBondContact O-N 3.26Å
1523	V	35.8	Very low	35.1	Very low	124.4 Å²	124.4	134.6 Å²	134.6	75%	0.754	72%	0.723	S	S	*	*			trans	60.1	121.3	130.2	-177.6	0	0	0	0	111.8
1524	G	34.3	Very low	35.7	Very low	59.2 Å²	59.2	135.9 Å²	135.9	61%	0.61	71%	0.714	S	S	*	*				161.4	129.7	55.9	0	0	0	0	0	112.5	H1522	H1522-G1524 PolarHBondContact O-N 3.26Å
1525	F	32.1	Very low	36	Very low	191.6 Å²	191.6	139.3 Å²	139.3	84%	0.84	72%	0.716	S	S	*	*			trans	7.9	128.5	150.4	-67.4	-88.2	0	0	0	115.7
1526	S	30.6	Very low	36.2	Very low	91.8 Å²	91.8	133.5 Å²	133.5	64%	0.642	71%	0.708	S	S	*	*				7.9	135.3	119.1	19	0	0	0	0	116
1527	L	32	Very low	36.2	Very low	146.8 Å²	146.8	132.3 Å²	132.3	77%	0.769	71%	0.707	S	S	*	*				-151.5	139.6	98.2	-112.7	167.8	0	0	0	109.5	V1529	L1527-V1529 PolarHBondContact O-N 3.04Å
1528	D	33.9	Very low	36.2	Very low	138.6 Å²	138.6	131.9 Å²	131.9	74%	0.741	71%	0.711	S	S	*	*			trans	-96.3	115.9	140.6	-130.5	6.5	0	0	0	116.4
1529	V	34.6	Very low	36.2	Very low	120 Å²	120	133.9 Å²	133.9	73%	0.727	71%	0.714	S	S	*	*			trans	152.7	115.3	134.7	166.4	0	0	0	0	112.7	L1527	L1527-V1529 PolarHBondContact O-N 3.04Å
1530	G	33	Very low	36.1	Very low	54.6 Å²	54.6	133.7 Å²	133.7	56%	0.563	71%	0.71	S	S	*	*			trans	132.1	122.1	150.6	0	0	0	0	0	115.9
1531	E	35.1	Very low	35.9	Very low	156.8 Å²	156.8	137.6 Å²	137.6	73%	0.733	72%	0.719	S	S	*	*			trans	-3.2	123.4	154.9	-63	-161.1	142.2	0	0	115.8	E1533 K1534	E1531-E1533 PolarHBondContact O-N 3.27Å; E1531-E1533 VanDerWaalsContact O-N 3.07Å; E1531-K1534 IonicContact OE2-NZ 3.5Å; E1531-K1534 PolarHBondContact OE2-NZ 3.46Å
1532	I	38.2	Very low	35.9	Very low	140.4 Å²	140.4	140.8 Å²	140.8	72%	0.72	73%	0.726	S	S	*	*				91	94.7	118.1	-3.9	172.8	0	0	0	115.2	K1534	I1532-K1534 HydrophobicContact CG2-CD 4.44Å; I1532-K1534 HydrophobicContact CG2-CG 4.39Å; I1532-K1534 WeakPolarHBondContact O-CE 3.41Å; I1532-K1534 WeakPolarHBondContact O-CG 3.43Å; I1532-K1534 PolarHBondContact O-N 3.17Å; I1532-K1534 VanDerWaalsContact O-N 3.12Å
1533	E	36.1	Very low	35.8	Very low	139 Å²	139	136.6 Å²	136.6	65%	0.65	72%	0.724	S	S	*	*			trans	-90.5	123.9	154.8	-92.7	-143.2	135.3	0	0	114.5	S1499 E1531 K1535	S1499-E1533 VanDerWaalsContact CB-O 3.29Å; S1499-E1533 WeakPolarHBondContact CB-O 3.11Å; S1499-E1533 VanDerWaalsContact OG-C 3.32Å; S1499-E1533 PolarHBondContact OG-O 3.49Å; E1531-E1533 PolarHBondContact O-N 3.27Å; E1531-E1533 VanDerWaalsContact O-N 3.07Å; E1533-K1535 VanDerWaalsContact CD-CE 3.47Å; E1533-K1535 WeakPolarHBondContact OE1-CE 2.98Å; E1533-K1535 IonicContact OE1-NZ 2.88Å; E1533-K1535 PolarHBondContact OE1-NZ 2.92Å; E1533-K1535 VanDerWaalsContact OE2-CE 3.3Å; E1533-K1535 WeakPolarHBondContact OE2-CE 3.3Å; E1533-K1535 IonicContact OE2-NZ 3.33Å; E1533-K1535 PolarHBondContact OE2-NZ 3.09Å
1534	K	40.5	Very low	36.1	Very low	140.6 Å²	140.6	141.2 Å²	141.2	61%	0.611	73%	0.728	S	S	*	*			trans	-78.1	99.3	152.2	-70	163.9	-163.1	163.2	0	115.7	S1499 S1500 L1502 E1503 E1531 I1532 G1536	S1499-K1534 WeakPolarHBondContact OG-CA 3.14Å; S1499-K1534 PolarHBondContact OG-N 2.85Å; S1500-K1534 CarbonylContact O-C 3.55Å; S1500-K1534 WeakPolarHBondContact O-CA 3.36Å; S1500-K1534 VanDerWaalsContact O-CB 3.32Å; S1500-K1534 WeakPolarHBondContact O-CB 3.13Å; S1500-K1534 VanDerWaalsContact OG-CG 3.3Å; S1500-K1534 WeakPolarHBondContact OG-CG 3.17Å; L1502-K1534 HydrophobicContact CD2-CD 4.33Å; E1503-K1534 WeakPolarHBondContact OE2-CD 3.4Å; E1503-K1534 WeakPolarHBondContact OE2-CE 3.41Å; E1503-K1534 WeakPolarHBondContact OE2-CG 3.21Å; E1503-K1534 IonicContact OE2-NZ 2.96Å; E1531-K1534 IonicContact OE2-NZ 3.5Å; E1531-K1534 PolarHBondContact OE2-NZ 3.46Å; I1532-K1534 HydrophobicContact CG2-CD 4.44Å; I1532-K1534 HydrophobicContact CG2-CG 4.39Å; I1532-K1534 WeakPolarHBondContact O-CE 3.41Å; I1532-K1534 WeakPolarHBondContact O-CG 3.43Å; I1532-K1534 PolarHBondContact O-N 3.17Å; I1532-K1534 VanDerWaalsContact O-N 3.12Å; K1534-G1536 PolarHBondContact O-N 3.38Å; K1534-G1536 VanDerWaalsContact O-N 3.07Å
1535	K	39.6	Very low	36.3	Very low	170.8 Å²	170.8	149.1 Å²	149.1	74%	0.743	74%	0.739	S	S	*	*			trans	-114.1	56.9	157.4	-85.5	175.5	-176.7	156.7	0	115.3	S1499 S1500 E1533 K1537 D1893 K1895	S1499-K1535 PolarHBondContact OG-N 3.04Å; S1499-K1535 VanDerWaalsContact OG-N 3.11Å; S1500-K1535 CarbonylContact O-C 3.59Å; S1500-K1535 PolarHBondContact O-N 3.1Å; E1533-K1535 VanDerWaalsContact CD-CE 3.47Å; E1533-K1535 WeakPolarHBondContact OE1-CE 2.98Å; E1533-K1535 IonicContact OE1-NZ 2.88Å; E1533-K1535 PolarHBondContact OE1-NZ 2.92Å; E1533-K1535 VanDerWaalsContact OE2-CE 3.3Å; E1533-K1535 WeakPolarHBondContact OE2-CE 3.3Å; E1533-K1535 IonicContact OE2-NZ 3.33Å; E1533-K1535 PolarHBondContact OE2-NZ 3.09Å; K1535-K1537 PolarHBondContact O-N 2.84Å; K1535-D1893 IonicContact NZ-OD2 2.96Å; K1535-D1893 PolarHBondContact NZ-OD2 3.08Å; K1535-K1895 PolarHBondContact O-NZ 3.21Å
1536	G	35.3	Very low	36.5	Very low	62.6 Å²	62.6	145 Å²	145	65%	0.645	73%	0.734	S	S	*	*			trans	-116.6	131.7	150.5	0	0	0	0	0	114.1	S1499 S1500 C1501 K1534 G1538	S1499-G1536 PolarHBondContact O-N 3.31Å; S1500-G1536 PolarHBondContact O-N 2.9Å; C1501-G1536 VanDerWaalsContact CB-CA 3.41Å; C1501-G1536 WeakPolarHBondContact SG-CA 3.37Å; K1534-G1536 PolarHBondContact O-N 3.38Å; K1534-G1536 VanDerWaalsContact O-N 3.07Å; G1536-G1538 VanDerWaalsContact C-N 3.3Å; G1536-G1538 PolarHBondContact O-N 3.01Å
1537	K	36.4	Very low	36.7	Very low	192 Å²	192	149.4 Å²	149.4	84%	0.835	74%	0.742	S	S	*	*			trans	-42.9	101.4	174.7	-58.7	171.5	-176.6	171.9	0	112.3	K1535 K1895 E1896	K1535-K1537 PolarHBondContact O-N 2.84Å; K1537-K1895 HydrophobicContact CD-CD 4.38Å; K1537-E1896 WeakPolarHBondContact CE-OE1 3.16Å; K1537-E1896 VanDerWaalsContact CE-OE2 3.26Å; K1537-E1896 WeakPolarHBondContact CE-OE2 3.5Å; K1537-E1896 VanDerWaalsContact NZ-CG 3.25Å; K1537-E1896 IonicContact NZ-OE1 3.92Å; K1537-E1896 PolarHBondContact NZ-OE1 2.99Å; K1537-E1896 IonicContact NZ-OE2 3.7Å
1538	G	37.7	Very low	36.9	Very low	70.2 Å²	70.2	149.7 Å²	149.7	72%	0.724	74%	0.737	S	S	*	*				91.8	104.8	71.1	0	0	0	0	0	111.8	G1536 K1540	G1536-G1538 VanDerWaalsContact C-N 3.3Å; G1536-G1538 PolarHBondContact O-N 3.01Å; G1538-K1540 PolarHBondContact O-N 2.71Å
1539	K	37.4	Very low	36.9	Very low	191.4 Å²	191.4	150 Å²	150	83%	0.832	73%	0.734	S	S	*	*			trans	149.5	118.7	156.6	-88.7	170.4	-178	174.7	0	112.3
1540	K	38.3	Very low	37	Very low	168.8 Å²	168.8	152.7 Å²	152.7	73%	0.734	73%	0.731	S	S	*	*				154.9	143.5	116.7	-66.7	169.7	-178	175.8	0	110.8	G1538 R1542	G1538-K1540 PolarHBondContact O-N 2.71Å; K1540-R1542 PolarHBondContact O-N 3.22Å
1541	R	36.3	Very low	37.2	Very low	223.6 Å²	223.6	158.4 Å²	158.4	84%	0.844	74%	0.735	S	S	*	*				-103.3	118.9	119.3	-67.1	172.4	143.7	169	-4.6	113.7	Y1924	R1541-Y1924 PolarHBondContact NH1-OH 3.03Å
1542	R	38.7	Very low	37.3	Very low	223 Å²	223	161.6 Å²	161.6	84%	0.842	74%	0.741	S	S	*	*				113.6	122.6	128.3	-75.8	173.3	-179.2	-170	-1.3	113.2	K1540	K1540-R1542 PolarHBondContact O-N 3.22Å
1543	G	37	Very low	37.3	Very low	62.4 Å²	62.4	158.1 Å²	158.1	64%	0.643	74%	0.739	S	S	*	*				172.7	116.4	108.8	0	0	0	0	0	117.2
1544	R	40.4	Very low	37.4	Very low	221 Å²	221	162.2 Å²	162.2	83%	0.834	75%	0.749	S	S	*	*			trans	-172.6	124.5	169.6	-64.3	-178.2	-178.1	-160.7	0.1	109.1
1545	R	39.8	Very low	37.3	Very low	225.4 Å²	225.4	162.2 Å²	162.2	85%	0.851	75%	0.749	S	S	*	*			cis	160.1	136.5	45	-82.7	172.5	-179	177.2	-2.2	110.6
1546	S	36.7	Very low	37.2	Very low	104.8 Å²	104.8	161.5 Å²	161.5	73%	0.733	75%	0.748	S	S	*	*				-135.7	143.2	105.5	61.5	0	0	0	0	115.8	K1548	S1546-K1548 VanDerWaalsContact C-N 3.33Å; S1546-K1548 PolarHBondContact O-N 2.9Å
1547	K	34.6	Very low	37.3	Very low	184.4 Å²	184.4	161.4 Å²	161.4	80%	0.802	75%	0.747	S	S	*	*			trans	33.2	105.4	134.8	-64.8	-177.6	173.9	-168.9	0	115.4
1548	K	35.4	Very low	37.5	Very low	153 Å²	153	159.5 Å²	159.5	67%	0.665	74%	0.741	S	S	*	*				-121.7	129	129.8	-120.7	-170.7	176.4	-162.1	0	112.7	S1546 R1550 R1551	S1546-K1548 VanDerWaalsContact C-N 3.33Å; S1546-K1548 PolarHBondContact O-N 2.9Å; K1548-R1550 PolarHBondContact O-N 2.96Å; K1548-R1551 PolarHBondContact NZ-O 2.83Å
1549	E	34.5	Very low	37.6	Very low	145.8 Å²	145.8	162.9 Å²	162.9	68%	0.681	74%	0.738	S	S	*	*				21.2	115.6	118	-167.9	-166.4	158.6	0	0	110.6
1550	R	35.8	Very low	37.6	Very low	176.8 Å²	176.8	159.5 Å²	159.5	67%	0.667	73%	0.729	S	S	*	*				147.2	110.6	111.3	-87.4	174.2	94.5	139.3	-8.5	113.6	V1041 G1042 K1548	V1041-R1550 PolarHBondContact O-NH1 2.99Å; V1041-R1550 PolarHBondContact O-NH2 2.78Å; G1042-R1550 PolarHBondContact O-NH1 2.56Å; K1548-R1550 PolarHBondContact O-N 2.96Å
1551	R	37.4	Very low	37.7	Very low	174 Å²	174	158.7 Å²	158.7	66%	0.657	73%	0.728	S	S	*	*				90.9	131.1	121.7	-71.8	168.1	179.5	-158.8	-6.6	116.3	L1039 D1040 V1041 K1548	L1039-R1551 PolarHBondContact O-NH1 2.98Å; D1040-R1551 PolarHBondContact O-NH1 2.83Å; D1040-R1551 PolarHBondContact O-NH2 2.93Å; V1041-R1551 PolarHBondContact O-NH2 2.74Å; K1548-R1551 PolarHBondContact NZ-O 2.83Å
1552	R	36.4	Very low	37.6	Very low	223 Å²	223	154.6 Å²	154.6	84%	0.842	72%	0.723	S	S	*	*				79.2	113.7	123	-74.6	178.1	178.6	-168.1	-3.2	117.1	E1289	E1289-R1552 IonicContact OE1-NH1 3.12Å; E1289-R1552 PolarHBondContact OE1-NH1 3.25Å
1553	G	38.4	Very low	37.7	Very low	66.8 Å²	66.8	149.4 Å²	149.4	69%	0.689	72%	0.718	S	S	*	*			trans	132.2	143.1	137.8	0	0	0	0	0	113.4
1554	R	38.1	Very low	37.6	Very low	225.6 Å²	225.6	152.1 Å²	152.1	85%	0.851	72%	0.724	S	S	*	*			cis	104.1	138.8	23.5	-123.2	-169.6	177.3	-170.6	-0.7	111.2
1555	K	39.1	Very low	37.1	Very low	141.6 Å²	141.6	147.3 Å²	147.3	62%	0.616	72%	0.723	S	S	*	*			trans	123.8	139.3	154.8	-81.6	-167.2	159.8	-110.3	0	111.6
1556	E	37.7	Very low	36.9	Very low	155 Å²	155	141.9 Å²	141.9	72%	0.724	72%	0.717	S	S	*	*				97.3	134.3	60.5	-77.8	154.1	-158	0	0	112.1
1557	G	37.9	Very low	36.7	Very low	61 Å²	61	147.6 Å²	147.6	63%	0.629	72%	0.723	S	S	*	*			trans	146.7	127.7	160.1	0	0	0	0	0	114.5	P1986	G1557-P1986 WeakPolarHBondContact O-CG 3.4Å
1558	E	40.7	Very low	36.4	Very low	152 Å²	152	146 Å²	146	71%	0.71	72%	0.722	S	S	*	*				-153.8	168.3	92.8	-124	144.3	169.5	0	0	112.1	I1457 K1458 P1986	I1457-E1558 WeakPolarHBondContact CA-O 3.21Å; K1458-E1558 HydrophobicContact CD-CB 3.78Å; K1458-E1558 HydrophobicContact CG-CB 4.21Å; K1458-E1558 PolarHBondContact N-O 3.01Å; K1458-E1558 IonicContact NZ-OE1 2.6Å; K1458-E1558 PolarHBondContact NZ-OE1 3.49Å; E1558-P1986 HydrophobicContact CB-CG 4.23Å; E1558-P1986 HydrophobicContact CG-CG 4.45Å
1559	E	38.3	Very low	36.4	Very low	141.2 Å²	141.2	143.5 Å²	143.5	66%	0.66	72%	0.724	S	S	*	*			trans	-142.2	151.3	-173.3	-98.9	164.6	170.1	0	0	115.4	A1029 L1030 E1031 K1458	A1029-E1559 WeakPolarHBondContact CA-OE2 3.38Å; A1029-E1559 WeakPolarHBondContact CB-OE2 3.37Å; L1030-E1559 PolarHBondContact N-OE2 3.08Å; E1031-E1559 HydrophobicContact CG-CB 4.5Å; E1031-E1559 PolarHBondContact OE1-N 3.27Å; K1458-E1559 WeakPolarHBondContact CE-O 3.36Å; K1458-E1559 WeakPolarHBondContact CG-O 3.19Å
1560	D	38.7	Very low	36.5	Very low	119.4 Å²	119.4	146.4 Å²	146.4	64%	0.639	73%	0.729	S	S	*	*				105.8	148.4	118.3	-143.6	29.2	0	0	0	117.5	K1459 N1562	K1459-D1560 HydrophobicContact CD-CB 4.43Å; K1459-D1560 VanDerWaalsContact CD-O 3.27Å; K1459-D1560 WeakPolarHBondContact CD-O 3.37Å; K1459-D1560 PolarHBondContact NZ-O 3.41Å; K1459-D1560 IonicContact NZ-OD2 3.22Å; K1459-D1560 PolarHBondContact NZ-OD2 3.39Å; D1560-N1562 PolarHBondContact OD2-ND2 2.71Å
1561	Q	38.9	Very low	36.6	Very low	152.8 Å²	152.8	144.9 Å²	144.9	71%	0.714	73%	0.729	S	S	*	*			trans	156	124.3	-163.5	-84.4	-105.2	2.4	0	0	114.1
1562	N	35.3	Very low	36.5	Very low	138.4 Å²	138.4	143.9 Å²	143.9	74%	0.74	74%	0.736	S	S	*	*			trans	-69.1	133.3	167.1	-87.1	-62.4	0	0	0	117.3	D1560	D1560-N1562 PolarHBondContact OD2-ND2 2.71Å
1563	P	39.8	Very low	36.6	Very low	112.6 Å²	112.6	140.1 Å²	140.1	73%	0.731	73%	0.732	S	S	*	*			trans	-109.8	168.9	153.3	37.5	-29.6	0	0	0	114.7
1564	P	35.8	Very low	36.7	Very low	119.2 Å²	119.2	142.7 Å²	142.7	77%	0.774	73%	0.73	S	S	*	*			trans	-111.5	157.9	-174.1	39	-30.7	0	0	0	115.7
1565	C	30	Very low	36.7	Very low	121.2 Å²	121.2	139.1 Å²	139.1	82%	0.819	72%	0.722	S	S	*	*			trans	159.3	155	145.4	-82.8	0	0	0	0	115.2
1566	P	34.9	Very low	36.7	Very low	110.4 Å²	110.4	139.4 Å²	139.4	72%	0.717	72%	0.724	S	S	*	*			trans	-127.2	153.2	160.7	38.6	-23.9	0	0	0	116
1567	R	32.2	Very low	36.5	Very low	226.2 Å²	226.2	135.5 Å²	135.5	85%	0.854	73%	0.725	S	S	*	*			trans	126.2	119.4	146.6	-75	-173.2	171.6	144.8	0.3	116.3	E975	E975-R1567 VanDerWaalsContact OE1-C 3.26Å
1568	L	28.8	Very low	36.7	Very low	149.6 Å²	149.6	137.6 Å²	137.6	78%	0.783	73%	0.727	S	S	*	*				48.9	106.5	111.7	-61.9	177.3	0	0	0	115.2	E975 E977	E975-L1568 VanDerWaalsContact CD-N 3.28Å; E975-L1568 PolarHBondContact OE1-N 3.32Å; E975-L1568 WeakPolarHBondContact OE2-CA 3.48Å; E975-L1568 PolarHBondContact OE2-N 3.24Å; E977-L1568 WeakPolarHBondContact OE1-CD2 3.26Å; E977-L1568 WeakPolarHBondContact OE2-CD2 3.42Å
1569	S	35.5	Very low	36.4	Very low	101.2 Å²	101.2	138.3 Å²	138.3	71%	0.708	73%	0.731	S	S	*	*			trans	162.6	122.4	131	44.1	0	0	0	0	111.9	E975 E977	E975-S1569 PolarHBondContact OE2-N 2.98Å; E977-S1569 WeakPolarHBondContact OE2-CB 3.22Å; E977-S1569 PolarHBondContact OE2-OG 3.33Å
1570	R	36.9	Very low	36.4	Very low	207 Å²	207	136.8 Å²	136.8	78%	0.781	73%	0.731	S	S	*	*				91.4	113.3	84.7	-157.9	-177.6	170.9	134.1	13.3	113.5	D978	D978-R1570 IonicContact OD2-CZ 2.73Å; D978-R1570 IonicContact OD2-NH1 3.08Å; D978-R1570 PolarHBondContact OD2-NH1 3.04Å; D978-R1570 IonicContact OD2-NH2 3.18Å
1571	E	37.5	Very low	36.2	Very low	144.2 Å²	144.2	137.2 Å²	137.2	67%	0.674	73%	0.732	S	S	*	*				167.7	135.2	126.3	-85.5	171.3	-172.6	0	0	114.2	K803	K803-E1571 IonicContact NZ-OE2 2.65Å; K803-E1571 PolarHBondContact NZ-OE2 3.09Å
1572	L	35.4	Very low	36.4	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	73%	0.73	S	S	*	*			trans	147.5	143.3	134.9	-87.2	174	0	0	0	113.5
1573	L	37.8	Very low	36.4	Very low	144.2 Å²	144.2	136.2 Å²	136.2	76%	0.755	73%	0.728	S	S	*	*			trans	84.3	128.2	168.3	-70.5	161.2	0	0	0	115.2
1574	D	40.7	Very low	36.1	Very low	120.4 Å²	120.4	135.6 Å²	135.6	64%	0.644	73%	0.726	S	S	*	*			cis	162	148.2	49.3	-105	-25.9	0	0	0	110.6	K1576	D1574-K1576 HydrophobicContact CB-CG 4.43Å; D1574-K1576 PolarHBondContact O-N 3.47Å; D1574-K1576 VanDerWaalsContact O-N 3.11Å; D1574-K1576 IonicContact OD1-NZ 3.38Å; D1574-K1576 PolarHBondContact OD1-NZ 2.92Å; D1574-K1576 IonicContact OD2-NZ 2.72Å
1575	E	38.3	Very low	36.1	Very low	149.6 Å²	149.6	136.8 Å²	136.8	70%	0.699	73%	0.725	S	S	*	*				-134	151.8	54.5	-104.5	-161.5	143.2	0	0	113.1	E997 V998	E997-E1575 WeakPolarHBondContact CA-OE2 3.27Å; E997-E1575 PolarHBondContact N-OE2 2.88Å; V998-E1575 HydrophobicContact CG1-CB 3.44Å; V998-E1575 VanDerWaalsContact CG1-CB 3.44Å; V998-E1575 WeakPolarHBondContact CG1-O 3.5Å; V998-E1575 PolarHBondContact N-OE2 3.35Å
1576	K	39.2	Very low	36.3	Very low	149.6 Å²	149.6	137 Å²	137	65%	0.65	72%	0.718	S	S	*	*			trans	-107.5	115.7	166.2	-60.3	-86.8	178.6	-162.9	0	115.3	V998 D1574	V998-K1576 VanDerWaalsContact CB-NZ 3.28Å; D1574-K1576 HydrophobicContact CB-CG 4.43Å; D1574-K1576 PolarHBondContact O-N 3.47Å; D1574-K1576 VanDerWaalsContact O-N 3.11Å; D1574-K1576 IonicContact OD1-NZ 3.38Å; D1574-K1576 PolarHBondContact OD1-NZ 2.92Å; D1574-K1576 IonicContact OD2-NZ 2.72Å
1577	G	34.2	Very low	36.4	Very low	71.4 Å²	71.4	142.4 Å²	142.4	74%	0.736	72%	0.724	S	S	*	*				117.5	155.4	128.2	0	0	0	0	0	114.1
1578	P	41.8	Very low	36.1	Very low	105.2 Å²	105.2	135.8 Å²	135.8	68%	0.683	71%	0.712	S	S	*	*			trans	-106.7	155.3	-179.3	38.9	-29.3	0	0	0	112.7
1579	E	34	Very low	36.3	Very low	167.2 Å²	167.2	138.4 Å²	138.4	78%	0.781	71%	0.712	S	S	*	*			trans	56.2	132.2	147.9	-65.9	177.6	-166.5	0	0	114.7	L1891 L1892 D1893	E1579-L1891 WeakPolarHBondContact CA-O 3.36Å; E1579-L1891 PolarHBondContact N-O 2.89Å; E1579-L1892 CarbonylContact C-O 3.24Å; E1579-L1892 WeakPolarHBondContact CA-O 3.39Å; E1579-L1892 WeakPolarHBondContact CB-O 3.44Å; E1579-L1892 WeakPolarHBondContact CG-O 3.18Å; E1579-D1893 CarbonylContact C-O 3.35Å; E1579-D1893 VanDerWaalsContact C-O 3.22Å; E1579-D1893 CarbonylContact O-C 3.32Å
1580	V	39.6	Very low	36.1	Very low	109.6 Å²	109.6	138.5 Å²	138.5	66%	0.664	71%	0.713	S	S	*	*				-143.7	131.8	109.7	177.2	0	0	0	0	111.2	Q1582 L1891 L1892 D1893 Y2179	V1580-Q1582 HydrophobicContact CG1-CG 4.43Å; V1580-L1891 PolarHBondContact N-O 2.89Å; V1580-L1892 VanDerWaalsContact C-C 3.45Å; V1580-L1892 PolarHBondContact N-O 3.06Å; V1580-L1892 WeakPolarHBondContact O-CA 2.99Å; V1580-L1892 PolarHBondContact O-N 2.9Å; V1580-D1893 VanDerWaalsContact CA-C 3.41Å; V1580-Y2179 HydrophobicContact CB-CD2 4.29Å; V1580-Y2179 HydrophobicContact CB-CE2 3.62Å; V1580-Y2179 HydrophobicContact CG1-CE2 3.64Å; V1580-Y2179 HydrophobicContact CG2-CD2 3.93Å; V1580-Y2179 HydrophobicContact CG2-CE2 3.71Å
1581	L	34.4	Very low	35.8	Very low	128.2 Å²	128.2	134.1 Å²	134.1	67%	0.671	71%	0.709	S	S	*	*			trans	-42.8	136.4	157.9	-87.4	172.9	0	0	0	116	D1893	L1581-D1893 WeakPolarHBondContact CD1-OD1 3.17Å; L1581-D1893 WeakPolarHBondContact CG-OD1 3.24Å
1582	Q	41.5	Very low	35.6	Very low	140 Å²	140	131.9 Å²	131.9	65%	0.654	71%	0.708	S	S	*	*			trans	176.4	132.9	150.3	-101.1	135.9	33.3	0	0	113	V1580 E1896 Y2179	V1580-Q1582 HydrophobicContact CG1-CG 4.43Å; Q1582-E1896 VanDerWaalsContact CD-CG 3.48Å; Q1582-E1896 VanDerWaalsContact CD-OE1 3.24Å; Q1582-E1896 PolarHBondContact NE2-OE1 3.16Å; Q1582-E1896 PolarHBondContact NE2-OE2 2.76Å; Q1582-E1896 VanDerWaalsContact OE1-CB 3.27Å; Q1582-Y2179 PolarHBondContact OE1-OH 2.73Å
1583	D	36.1	Very low	35.5	Very low	131.2 Å²	131.2	129.7 Å²	129.7	70%	0.702	71%	0.705	S	S	*	*			trans	-42.6	127	146.3	-77.6	-46.2	0	0	0	115.4	L1585	D1583-L1585 PolarHBondContact O-N 3.5Å; D1583-L1585 VanDerWaalsContact O-N 3.1Å
1584	S	33.9	Very low	35.3	Very low	98.2 Å²	98.2	125.4 Å²	125.4	69%	0.687	70%	0.696	S	S	*	*			trans	-178.6	114	145.3	-2.9	0	0	0	0	112.7	D1586	S1584-D1586 PolarHBondContact O-N 2.78Å
1585	L	35.7	Very low	34.7	Very low	144.6 Å²	144.6	124.1 Å²	124.1	76%	0.757	70%	0.695	S	S	*	*			trans	-66.3	132.4	170.8	-73.5	169	0	0	0	114.2	D1583 R1587	D1583-L1585 PolarHBondContact O-N 3.5Å; D1583-L1585 VanDerWaalsContact O-N 3.1Å; L1585-R1587 PolarHBondContact O-N 3.02Å
1586	D	34	Very low	34.5	Very low	125.4 Å²	125.4	122.9 Å²	122.9	67%	0.671	69%	0.692	S	S	*	*			trans	15.7	124.3	156.9	-87.6	-23.7	0	0	0	115.2	S1584	S1584-D1586 PolarHBondContact O-N 2.78Å
1587	R	36.2	Very low	34.2	Very low	224.6 Å²	224.6	121.4 Å²	121.4	85%	0.848	69%	0.688	S	S	*	*			trans	-170.4	115.1	133.7	-131.1	161.7	-134.8	-145.1	-0.8	113	L1585	L1585-R1587 PolarHBondContact O-N 3.02Å
1588	C	27.1	Very low	34.2	Very low	88 Å²	88	124.5 Å²	124.5	60%	0.595	69%	0.687	S	S	*	*			trans	-9	142	149.1	-48.1	0	0	0	0	115.7
1589	Y	31.6	Very low	33.8	Very low	203.8 Å²	203.8	124.2 Å²	124.2	80%	0.799	68%	0.683	S	S	*	*				175.1	157.7	120.9	-71.7	-82.3	0	0	0	114.4	Y1267 S1269	Y1267-Y1589 HydrophobicContact CE1-CE1 4.27Å; S1269-Y1589 PolarHBondContact OG-OH 2.92Å; S1269-Y1589 VanDerWaalsContact OG-OH 3.08Å
1590	S	31.6	Very low	33.7	Very low	103.4 Å²	103.4	121.6 Å²	121.6	72%	0.723	68%	0.675	S	S	*	*			trans	-99.7	151.3	-177.7	-57.9	0	0	0	0	113.8
1591	T	31.6	Very low	33.3	Very low	113.4 Å²	113.4	120.7 Å²	120.7	70%	0.696	67%	0.673	S	S	*	*			trans	-91.7	151.8	140.6	4.6	0	0	0	0	112.8
1592	P	33.7	Very low	33.1	Very low	99.8 Å²	99.8	119.1 Å²	119.1	65%	0.648	67%	0.672	S	S	*	*			cis	-123.7	168	-48.1	38.1	-27.2	0	0	0	115.3
1593	S	33	Very low	32.6	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	68%	0.675	S	S	*	*			trans	154.7	132.2	166.2	64.9	0	0	0	0	113.9
1594	G	32.2	Very low	32.5	Very low	54.6 Å²	54.6	118.4 Å²	118.4	56%	0.563	67%	0.673	S	S	*	*			cis	-167.8	-177.4	-17.3	0	0	0	0	0	113.8	V1336 L1337	V1336-G1594 CarbonylContact C-O 3.35Å; V1336-G1594 PolarHBondContact N-O 3.07Å; L1337-G1594 PolarHBondContact N-O 2.83Å; L1337-G1594 VanDerWaalsContact N-O 3.09Å
1595	C	29.6	Very low	32.2	Very low	92.6 Å²	92.6	122 Å²	122	63%	0.626	67%	0.673	S	S	*	*			trans	65.4	160.1	177.6	-82.9	0	0	0	0	116.6	L1337 Q1338	L1337-C1595 WeakPolarHBondContact O-CB 2.95Å; L1337-C1595 PolarHBondContact O-SG 3.47Å; Q1338-C1595 PolarHBondContact O-SG 2.87Å
1596	L	33.1	Very low	31.9	Very low	123.2 Å²	123.2	125.3 Å²	125.3	65%	0.645	68%	0.676	S	S	*	*			trans	83.8	113.8	155.6	-77.7	176.9	0	0	0	116.4	P1986	L1596-P1986 HydrophobicContact CB-CG 4.11Å; L1596-P1986 HydrophobicContact CD1-CG 3.91Å
1597	E	32.7	Very low	31.8	Very low	119.4 Å²	119.4	124 Å²	124	56%	0.558	68%	0.676	S	S	*	*			trans	78	149	141.8	-75.8	150.7	-141.2	0	0	117.4	T1599	E1597-T1599 WeakPolarHBondContact CB-OG1 3.37Å; E1597-T1599 PolarHBondContact OE1-OG1 2.77Å
1598	L	34.4	Very low	31.6	Very low	135.2 Å²	135.2	116.6 Å²	116.6	71%	0.708	66%	0.662	S	S	*	*			trans	-126.4	127.4	147.9	-69	168.4	0	0	0	112.8	L1375 D1600 R1981 Y1983	L1375-L1598 VanDerWaalsContact CD1-O 3.24Å; L1375-L1598 WeakPolarHBondContact CD1-O 3.28Å; L1375-L1598 WeakPolarHBondContact CG-O 3.36Å; L1598-D1600 PolarHBondContact O-N 3.29Å; L1598-R1981 HydrophobicContact CD2-CG 3.97Å; L1598-Y1983 WeakPolarHBondContact CD1-O 3.24Å
1599	T	33.7	Very low	31.6	Very low	99.6 Å²	99.6	120.4 Å²	120.4	61%	0.611	67%	0.669	S	S	*	*				-137.5	121.2	93.3	-18.8	0	0	0	0	112.4	L1375 E1597 R1981	L1375-T1599 HydrophobicContact CB-CG2 4.41Å; L1375-T1599 HydrophobicContact CD1-CG2 3.86Å; L1375-T1599 WeakPolarHBondContact CD1-OG1 3.15Å; L1375-T1599 HydrophobicContact CG-CG2 4.39Å; E1597-T1599 WeakPolarHBondContact CB-OG1 3.37Å; E1597-T1599 PolarHBondContact OE1-OG1 2.77Å; T1599-R1981 WeakPolarHBondContact CB-O 3.18Å; T1599-R1981 HydrophobicContact CG2-CB 3.6Å; T1599-R1981 HydrophobicContact CG2-CG 3.64Å; T1599-R1981 WeakPolarHBondContact CG2-O 3.1Å; T1599-R1981 PolarHBondContact OG1-O 3.1Å
1600	D	32.8	Very low	31.5	Very low	113 Å²	113	118.6 Å²	118.6	60%	0.604	66%	0.662	S	S	*	*			trans	48.8	126.2	141	-64.9	-49.2	0	0	0	118.3	V1373 G1374 L1598 R1981	V1373-D1600 WeakPolarHBondContact CA-OD1 3.4Å; V1373-D1600 HydrophobicContact CB-CB 4.1Å; V1373-D1600 HydrophobicContact CG1-CB 3.74Å; V1373-D1600 HydrophobicContact CG2-CB 3.79Å; G1374-D1600 VanDerWaalsContact N-CG 3.34Å; G1374-D1600 PolarHBondContact N-OD1 3.19Å; G1374-D1600 PolarHBondContact N-OD2 3.39Å; L1598-D1600 PolarHBondContact O-N 3.29Å; D1600-R1981 VanDerWaalsContact OD2-CD 3.28Å; D1600-R1981 WeakPolarHBondContact OD2-CD 3.23Å; D1600-R1981 IonicContact OD2-CZ 3.64Å; D1600-R1981 IonicContact OD2-NE 3.87Å; D1600-R1981 IonicContact OD2-NH1 2.67Å; D1600-R1981 PolarHBondContact OD2-NH1 3.23Å
1601	S	29.7	Very low	31.6	Very low	90.4 Å²	90.4	120 Å²	120	63%	0.632	66%	0.66	S	S	*	*			trans	-141.7	132.6	146.8	67	0	0	0	0	112.9
1602	C	30.3	Very low	31.7	Very low	94.2 Å²	94.2	121 Å²	121	64%	0.636	66%	0.661	S	S	*	*				-125.3	108.1	69.1	-78.1	0	0	0	0	111.9	V1129	V1129-C1602 HydrophobicContact CB-CB 4.38Å; V1129-C1602 HydrophobicContact CG1-CB 4.04Å; V1129-C1602 HydrophobicContact CG2-CB 3.41Å; V1129-C1602 VanDerWaalsContact CG2-CB 3.41Å
1603	Q	32	Very low	31.7	Very low	154.6 Å²	154.6	122.3 Å²	122.3	72%	0.722	66%	0.658	S	S	*	*			trans	-40.7	135	137.5	-67.7	-79.5	-26	0	0	116.6	V1129 Y1605	V1129-Q1603 HydrophobicContact CB-CB 3.75Å; V1129-Q1603 HydrophobicContact CB-CG 3.99Å; V1129-Q1603 HydrophobicContact CG1-CB 3.9Å; V1129-Q1603 HydrophobicContact CG2-CB 3.63Å; V1129-Q1603 HydrophobicContact CG2-CG 3.55Å; Q1603-Y1605 PolarHBondContact O-N 3.49Å
1604	P	32.9	Very low	31.7	Very low	103.4 Å²	103.4	125.2 Å²	125.2	67%	0.671	66%	0.66	S	S	*	*			trans	-106.1	130.7	-167.6	32.2	-20.5	0	0	0	113
1605	Y	29	Very low	31.9	Very low	173.8 Å²	173.8	129.2 Å²	129.2	68%	0.682	66%	0.664	S	S	*	*			trans	-126.6	126.9	157.4	-107	-95.7	0	0	0	116.1	L1131 V1133 M1135 Q1603 S1607	L1131-Y1605 HydrophobicContact CD2-CD2 4.5Å; L1131-Y1605 HydrophobicContact CD2-CE2 3.93Å; V1133-Y1605 HydrophobicContact CB-CD2 3.78Å; V1133-Y1605 HydrophobicContact CB-CE1 4.29Å; V1133-Y1605 HydrophobicContact CB-CE2 3.48Å; V1133-Y1605 VanDerWaalsContact CB-CE2 3.48Å; V1133-Y1605 HydrophobicContact CB-CG 4.27Å; V1133-Y1605 HydrophobicContact CG1-CD1 3.85Å; V1133-Y1605 HydrophobicContact CG1-CD2 4.02Å; V1133-Y1605 HydrophobicContact CG1-CE1 3.6Å; V1133-Y1605 HydrophobicContact CG1-CE2 3.76Å; V1133-Y1605 HydrophobicContact CG1-CG 4.03Å; V1133-Y1605 HydrophobicContact CG2-CD2 3.44Å; V1133-Y1605 VanDerWaalsContact CG2-CD2 3.44Å; V1133-Y1605 HydrophobicContact CG2-CE2 3.7Å; V1133-Y1605 HydrophobicContact CG2-CG 3.88Å; M1135-Y1605 HydrophobicContact CB-CE1 4.46Å; M1135-Y1605 HydrophobicContact CG-CE1 3.9Å; M1135-Y1605 WeakPolarHBondContact CG-OH 3.15Å; M1135-Y1605 HydrophobicContact SD-CE1 3.95Å; M1135-Y1605 PolarHBondContact SD-OH 3.16Å; Q1603-Y1605 PolarHBondContact O-N 3.49Å; Y1605-S1607 VanDerWaalsContact C-N 3.33Å; Y1605-S1607 PolarHBondContact O-N 3.21Å
1606	R	28.6	Very low	32	Very low	213.8 Å²	213.8	130.1 Å²	130.1	81%	0.807	67%	0.67	S	S	*	*			trans	-40	121.7	148.4	-76.6	-152.7	-178.2	-168.9	-0.8	113
1607	S	31.9	Very low	32	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	67%	0.673	S	S	*	*				-131.8	129.5	57.9	62.3	0	0	0	0	111.7	Y1605 F1609	Y1605-S1607 VanDerWaalsContact C-N 3.33Å; Y1605-S1607 PolarHBondContact O-N 3.21Å; S1607-F1609 PolarHBondContact O-N 2.7Å
1608	A	31.9	Very low	32	Very low	67.4 Å²	67.4	127.6 Å²	127.6	56%	0.557	68%	0.681	S	S	*	*			trans	-88.2	136.2	172.2	0	0	0	0	0	113	I1138 Y1610	I1138-A1608 HydrophobicContact CD1-CB 3.89Å; I1138-A1608 HydrophobicContact CG2-CB 3.67Å; A1608-Y1610 PolarHBondContact O-N 3.26Å; A1608-Y1610 VanDerWaalsContact O-N 3.17Å; A1608-Y1610 PolarHBondContact O-OH 2.81Å
1609	F	27.5	Very low	32	Very low	168.6 Å²	168.6	128.5 Å²	128.5	74%	0.739	69%	0.686	S	S	*	*			trans	1.4	105.8	147.7	-71.5	-84.7	0	0	0	114.4	Y1141 S1607 I1611	Y1141-F1609 HydrophobicContact CE2-CD1 4.18Å; Y1141-F1609 AromaticContact CE2-CD2 3.96Å; Y1141-F1609 HydrophobicContact CE2-CD2 3.96Å; Y1141-F1609 HydrophobicContact CE2-CE1 4.04Å; Y1141-F1609 AromaticContact CE2-CE2 3.82Å; Y1141-F1609 HydrophobicContact CE2-CE2 3.82Å; Y1141-F1609 HydrophobicContact CE2-CG 4.16Å; Y1141-F1609 AromaticContact CE2-CZ 3.87Å; Y1141-F1609 HydrophobicContact CE2-CZ 3.87Å; Y1141-F1609 AromaticContact CZ-CE1 3.9Å; Y1141-F1609 AromaticContact CZ-CZ 3.99Å; Y1141-F1609 WeakPolarHBondContact OH-CE1 3.38Å; Y1141-F1609 VanDerWaalsContact OH-CZ 3.27Å; Y1141-F1609 WeakPolarHBondContact OH-CZ 3.39Å; S1607-F1609 PolarHBondContact O-N 2.7Å; F1609-I1611 HydrophobicContact CD1-CD1 4.24Å; F1609-I1611 HydrophobicContact CD1-CG1 3.97Å; F1609-I1611 PolarHBondContact O-N 3.3Å
1610	Y	29.9	Very low	32.1	Very low	167 Å²	167	128.1 Å²	128.1	66%	0.655	69%	0.693	S	S	*	*				-93.6	147	122.2	-89.2	-69.6	0	0	0	110.6	A1608 L1612 L2084	A1608-Y1610 PolarHBondContact O-N 3.26Å; A1608-Y1610 VanDerWaalsContact O-N 3.17Å; A1608-Y1610 PolarHBondContact O-OH 2.81Å; Y1610-L1612 HydrophobicContact CD1-CB 4.4Å; Y1610-L1612 PolarHBondContact O-N 3.21Å; Y1610-L2084 WeakPolarHBondContact O-CB 3.19Å; Y1610-L2084 WeakPolarHBondContact O-CD1 3.48Å
1611	I	33.6	Very low	32.2	Very low	131.6 Å²	131.6	128.2 Å²	128.2	68%	0.675	70%	0.697	S	S	*	*			trans	64.6	82.3	159.2	-69.8	165.3	0	0	0	113.2	F1609 E1613 C2083 L2084	F1609-I1611 HydrophobicContact CD1-CD1 4.24Å; F1609-I1611 HydrophobicContact CD1-CG1 3.97Å; F1609-I1611 PolarHBondContact O-N 3.3Å; I1611-E1613 VanDerWaalsContact C-N 3.28Å; I1611-E1613 HydrophobicContact CG2-CB 3.71Å; I1611-C2083 CarbonylContact C-O 3.08Å; I1611-C2083 PolarHBondContact N-O 3.33Å; I1611-L2084 PolarHBondContact N-O 2.89Å
1612	L	32	Very low	32.6	Very low	134.8 Å²	134.8	130.7 Å²	130.7	71%	0.706	70%	0.704	S	S	*	*			trans	-103.1	94.6	144.2	-156.6	134.1	0	0	0	113.2	Y1610 Q1614 L1979 C2083 L2084 E2085	Y1610-L1612 HydrophobicContact CD1-CB 4.4Å; Y1610-L1612 PolarHBondContact O-N 3.21Å; L1612-Q1614 PolarHBondContact O-N 3.34Å; L1612-L1979 HydrophobicContact CD1-CD2 3.98Å; L1612-L1979 HydrophobicContact CD2-CD2 3.73Å; L1612-C2083 WeakPolarHBondContact CA-O 3.03Å; L1612-C2083 PolarHBondContact N-O 2.98Å; L1612-L2084 WeakPolarHBondContact CB-O 3.15Å; L1612-L2084 PolarHBondContact N-O 3.39Å; L1612-E2085 HydrophobicContact CD1-CG 3.91Å
1613	E	33.8	Very low	33	Very low	126.6 Å²	126.6	134.1 Å²	134.1	59%	0.592	71%	0.713	S	S	*	*			trans	-79.6	117.3	160.6	-128.8	152.8	173.7	0	0	111.6	I1611 Q1615 P2080 S2081 G2082 C2083	I1611-E1613 VanDerWaalsContact C-N 3.28Å; I1611-E1613 HydrophobicContact CG2-CB 3.71Å; E1613-Q1615 HydrophobicContact CB-CG 4.22Å; E1613-Q1615 VanDerWaalsContact CD-NE2 3.3Å; E1613-Q1615 HydrophobicContact CG-CB 4.48Å; E1613-Q1615 HydrophobicContact CG-CG 4Å; E1613-Q1615 PolarHBondContact O-N 2.88Å; E1613-Q1615 VanDerWaalsContact OE1-CG 3.28Å; E1613-Q1615 WeakPolarHBondContact OE1-CG 3.18Å; E1613-Q1615 PolarHBondContact OE1-NE2 2.96Å; E1613-Q1615 PolarHBondContact OE2-NE2 3.29Å; E1613-P2080 HydrophobicContact CB-CB 4.45Å; E1613-P2080 HydrophobicContact CG-CB 4.04Å; E1613-S2081 VanDerWaalsContact OE1-CA 3.26Å; E1613-S2081 WeakPolarHBondContact OE1-CA 3.29Å; E1613-G2082 PolarHBondContact OE1-N 3.42Å; E1613-G2082 PolarHBondContact OE2-N 3.27Å; E1613-C2083 WeakPolarHBondContact OE2-CA 2.59Å; E1613-C2083 PolarHBondContact OE2-N 2.69Å
1614	Q	34.3	Very low	33.3	Very low	168.4 Å²	168.4	133.3 Å²	133.3	79%	0.787	71%	0.713	S	S	*	*			trans	-98.4	110.9	143.3	-73.9	-139	117.6	0	0	108.6	L1612 C1616	L1612-Q1614 PolarHBondContact O-N 3.34Å; Q1614-C1616 VanDerWaalsContact C-N 3.28Å; Q1614-C1616 PolarHBondContact O-N 3.29Å; Q1614-C1616 VanDerWaalsContact O-N 3.09Å
1615	Q	36.7	Very low	33.7	Very low	138.2 Å²	138.2	136.9 Å²	136.9	65%	0.646	72%	0.721	S	S	*	*				-111	110.4	129.3	-91.8	-179.8	10.6	0	0	109.4	D1147 E1613 V1617	D1147-Q1615 PolarHBondContact O-NE2 3.05Å; E1613-Q1615 HydrophobicContact CB-CG 4.22Å; E1613-Q1615 VanDerWaalsContact CD-NE2 3.3Å; E1613-Q1615 HydrophobicContact CG-CB 4.48Å; E1613-Q1615 HydrophobicContact CG-CG 4Å; E1613-Q1615 PolarHBondContact O-N 2.88Å; E1613-Q1615 VanDerWaalsContact OE1-CG 3.28Å; E1613-Q1615 WeakPolarHBondContact OE1-CG 3.18Å; E1613-Q1615 PolarHBondContact OE1-NE2 2.96Å; E1613-Q1615 PolarHBondContact OE2-NE2 3.29Å; Q1615-V1617 HydrophobicContact CB-CG2 3.99Å; Q1615-V1617 PolarHBondContact O-N 2.86Å; Q1615-V1617 VanDerWaalsContact O-N 3.12Å
1616	C	31.9	Very low	34.4	Very low	110.4 Å²	110.4	136.4 Å²	136.4	75%	0.746	73%	0.728	S	S	*	*			trans	-103.8	119.1	139.2	-79.7	0	0	0	0	108.4	Q1614 G1618	Q1614-C1616 VanDerWaalsContact C-N 3.28Å; Q1614-C1616 PolarHBondContact O-N 3.29Å; Q1614-C1616 VanDerWaalsContact O-N 3.09Å; C1616-G1618 PolarHBondContact O-N 2.92Å
1617	V	33	Very low	34.7	Very low	119.4 Å²	119.4	133.4 Å²	133.4	72%	0.724	72%	0.724	S	S	*	*			trans	20.4	97.6	152.3	-171.5	0	0	0	0	110.3	Q1615 L1619	Q1615-V1617 HydrophobicContact CB-CG2 3.99Å; Q1615-V1617 PolarHBondContact O-N 2.86Å; Q1615-V1617 VanDerWaalsContact O-N 3.12Å; V1617-L1619 HydrophobicContact CG1-CB 4.43Å; V1617-L1619 HydrophobicContact CG1-CD1 4.12Å; V1617-L1619 HydrophobicContact CG1-CD2 3.6Å; V1617-L1619 HydrophobicContact CG1-CG 3.69Å; V1617-L1619 PolarHBondContact O-N 3.01Å
1618	G	31.6	Very low	35	Very low	70.2 Å²	70.2	136.8 Å²	136.8	72%	0.724	73%	0.726	S	S	*	*			trans	-134.5	83.6	165.3	0	0	0	0	0	110.9	C1616 A1620	C1616-G1618 PolarHBondContact O-N 2.92Å; G1618-A1620 PolarHBondContact O-N 2.89Å
1619	L	33.9	Very low	35.2	Very low	155 Å²	155	143 Å²	143	81%	0.812	74%	0.736	S	S	*	*			trans	-35.9	122.1	166.4	-71.7	175.3	0	0	0	111.4	V1617 V1621	V1617-L1619 HydrophobicContact CG1-CB 4.43Å; V1617-L1619 HydrophobicContact CG1-CD1 4.12Å; V1617-L1619 HydrophobicContact CG1-CD2 3.6Å; V1617-L1619 HydrophobicContact CG1-CG 3.69Å; V1617-L1619 PolarHBondContact O-N 3.01Å; L1619-V1621 HydrophobicContact CB-CG2 4.15Å; L1619-V1621 HydrophobicContact CD2-CG2 4.29Å; L1619-V1621 PolarHBondContact O-N 3.26Å
1620	A	35.7	Very low	35.7	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	74%	0.739	S	S	*	*			trans	-80	101.5	158.4	0	0	0	0	0	109.4	G1618 D1622	G1618-A1620 PolarHBondContact O-N 2.89Å; A1620-D1622 PolarHBondContact O-N 3.12Å
1621	V	36	Very low	35.9	Very low	115 Å²	115	143.3 Å²	143.3	70%	0.697	75%	0.746	S	S	*	*			trans	-49	101.3	131.1	-176.5	0	0	0	0	109	L1619 M1623	L1619-V1621 HydrophobicContact CB-CG2 4.15Å; L1619-V1621 HydrophobicContact CD2-CG2 4.29Å; L1619-V1621 PolarHBondContact O-N 3.26Å; V1621-M1623 VanDerWaalsContact C-N 3.32Å; V1621-M1623 HydrophobicContact CG1-CB 4.44Å; V1621-M1623 HydrophobicContact CG1-CG 3.92Å; V1621-M1623 PolarHBondContact O-N 2.69Å; V1621-M1623 VanDerWaalsContact O-N 3.08Å
1622	D	37.3	Very low	36.1	Very low	142.8 Å²	142.8	142.8 Å²	142.8	76%	0.764	75%	0.749	S	S	*	*			trans	-39	121.9	159.5	-87.3	-16	0	0	0	112.1	A1620 D1624	A1620-D1622 PolarHBondContact O-N 3.12Å; D1622-D1624 PolarHBondContact O-N 2.88Å; D1622-D1624 VanDerWaalsContact O-N 3.09Å
1623	M	38.5	Very low	36.3	Very low	166.8 Å²	166.8	144.8 Å²	144.8	82%	0.822	75%	0.754	S	S	*	*			trans	-118.9	105.1	169.3	-92.5	-139.9	24.7	0	0	110.7	V1621	V1621-M1623 VanDerWaalsContact C-N 3.32Å; V1621-M1623 HydrophobicContact CG1-CB 4.44Å; V1621-M1623 HydrophobicContact CG1-CG 3.92Å; V1621-M1623 PolarHBondContact O-N 2.69Å; V1621-M1623 VanDerWaalsContact O-N 3.08Å
1624	D	39.4	Very low	36.4	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	77%	0.765	S	S	*	*			trans	-81.1	146.7	163.1	-77.5	-44.6	0	0	0	113.4	D1622 I1626	D1622-D1624 PolarHBondContact O-N 2.88Å; D1622-D1624 VanDerWaalsContact O-N 3.09Å; D1624-I1626 PolarHBondContact O-N 3.45Å; D1624-I1626 VanDerWaalsContact O-N 3.11Å
1625	E	40.1	Very low	36.3	Very low	179.4 Å²	179.4	145.8 Å²	145.8	84%	0.838	76%	0.763	S	S	*	*			trans	48.4	79.9	162	-60	-178.6	163.9	0	0	116.8	E1627	E1625-E1627 HydrophobicContact CB-CG 4.35Å; E1625-E1627 PolarHBondContact O-N 2.94Å
1626	I	44.1	Very low	36.3	Very low	162.2 Å²	162.2	147.3 Å²	147.3	83%	0.832	77%	0.771	S	S	*	*				-105.8	111.6	129.7	-49.5	178.1	0	0	0	109.8	D1624 K1628	D1624-I1626 PolarHBondContact O-N 3.45Å; D1624-I1626 VanDerWaalsContact O-N 3.11Å; I1626-K1628 PolarHBondContact O-N 2.93Å
1627	E	36.6	Very low	36.5	Very low	152.4 Å²	152.4	149.4 Å²	149.4	71%	0.712	77%	0.774	S	S	*	*			trans	-37.5	118.6	154.9	-67.3	-165.2	135.1	0	0	113.7	E1625 Y1629	E1625-E1627 HydrophobicContact CB-CG 4.35Å; E1625-E1627 PolarHBondContact O-N 2.94Å; E1627-Y1629 HydrophobicContact CB-CD2 4.11Å; E1627-Y1629 HydrophobicContact CB-CE2 4.44Å; E1627-Y1629 HydrophobicContact CG-CE2 4.08Å; E1627-Y1629 PolarHBondContact O-N 3.42Å; E1627-Y1629 VanDerWaalsContact O-N 3.14Å; E1627-Y1629 WeakPolarHBondContact OE1-CE2 3.23Å; E1627-Y1629 PolarHBondContact OE1-OH 2.89Å
1628	K	37.9	Very low	36.7	Very low	167.8 Å²	167.8	148.7 Å²	148.7	73%	0.73	77%	0.772	S	S	*	*			trans	-95.3	114.7	149.5	-91.1	177.4	178.1	-179.3	0	113.7	I1626 Q1630 Q1955 P1957	I1626-K1628 PolarHBondContact O-N 2.93Å; K1628-Q1630 PolarHBondContact O-N 2.76Å; K1628-Q1955 VanDerWaalsContact NZ-CD 3.34Å; K1628-P1957 VanDerWaalsContact CE-O 3.28Å; K1628-P1957 WeakPolarHBondContact CE-O 3.1Å; K1628-P1957 PolarHBondContact NZ-O 3.44Å
1629	Y	36.1	Very low	36.6	Very low	199.2 Å²	199.2	150 Å²	150	78%	0.781	77%	0.77	S	S	*	*			trans	-82	124.9	146.1	-75.4	-85.7	0	0	0	110.7	E1627 E1631	E1627-Y1629 HydrophobicContact CB-CD2 4.11Å; E1627-Y1629 HydrophobicContact CB-CE2 4.44Å; E1627-Y1629 HydrophobicContact CG-CE2 4.08Å; E1627-Y1629 PolarHBondContact O-N 3.42Å; E1627-Y1629 VanDerWaalsContact O-N 3.14Å; E1627-Y1629 WeakPolarHBondContact OE1-CE2 3.23Å; E1627-Y1629 PolarHBondContact OE1-OH 2.89Å; Y1629-E1631 PolarHBondContact O-N 2.98Å
1630	Q	36.2	Very low	36.3	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	77%	0.772	S	S	*	*			trans	-46.3	83	145.1	-170.3	163.8	12.2	0	0	110.8	K1628 V1632	K1628-Q1630 PolarHBondContact O-N 2.76Å; Q1630-V1632 HydrophobicContact CG-CG2 3.98Å; Q1630-V1632 PolarHBondContact O-N 3.2Å
1631	E	34.8	Very low	36.3	Very low	168.2 Å²	168.2	149.1 Å²	149.1	79%	0.786	77%	0.768	S	S	*	*			trans	-62.4	110.8	157.7	-82.9	171.9	164.7	0	0	110.6	Y1629	Y1629-E1631 PolarHBondContact O-N 2.98Å
1632	V	38.2	Very low	36	Very low	122 Å²	122	154.5 Å²	154.5	74%	0.739	78%	0.775	S	S	*	*			trans	-119.4	123.9	145.2	179.5	0	0	0	0	106.8	Q1630	Q1630-V1632 HydrophobicContact CG-CG2 3.98Å; Q1630-V1632 PolarHBondContact O-N 3.2Å
1633	E	35.2	Very low	35.8	Very low	176.8 Å²	176.8	155.4 Å²	155.4	83%	0.826	78%	0.779	S	S	*	*			trans	-24.9	132.3	167.6	-67.9	-179.9	148.1	0	0	111.1
1634	E	36.8	Very low	35.5	Very low	175.2 Å²	175.2	151.9 Å²	151.9	82%	0.819	77%	0.772	S	S	*	*				-144.1	131.5	94.9	-125.3	175.1	171.4	0	0	110.4	Q1636	E1634-Q1636 PolarHBondContact O-N 3.47Å
1635	D	32.2	Very low	35.5	Very low	139.8 Å²	139.8	155.1 Å²	155.1	75%	0.748	77%	0.773	S	S	*	*			trans	-13.8	124.3	158.4	-67.1	-37.7	0	0	0	115.3
1636	Q	37.7	Very low	35.3	Very low	171.6 Å²	171.6	153.6 Å²	153.6	80%	0.802	77%	0.766	S	S	*	*				-152.8	140.1	111.9	-75.8	-164.5	24.5	0	0	111.5	E1634 P1638	E1634-Q1636 PolarHBondContact O-N 3.47Å; Q1636-P1638 VanDerWaalsContact CB-CD 3.44Å; Q1636-P1638 HydrophobicContact CG-CG 4.12Å; Q1636-P1638 WeakPolarHBondContact O-CD 3.4Å; Q1636-P1638 VanDerWaalsContact OE1-CD 3.29Å
1637	D	35.6	Very low	34.9	Very low	153.6 Å²	153.6	151.8 Å²	151.8	82%	0.821	76%	0.758	S	S	*	*			trans	-55.4	115.5	135.7	-90.4	-37	0	0	0	114.5	S1639	D1637-S1639 PolarHBondContact O-N 2.75Å; D1637-S1639 VanDerWaalsContact O-N 3.14Å
1638	P	35.9	Very low	34.9	Very low	103.8 Å²	103.8	150.5 Å²	150.5	67%	0.674	76%	0.755	S	S	*	*			trans	-103	110.8	143.6	35.6	-29.6	0	0	0	112.4	Q1636	Q1636-P1638 VanDerWaalsContact CB-CD 3.44Å; Q1636-P1638 HydrophobicContact CG-CG 4.12Å; Q1636-P1638 WeakPolarHBondContact O-CD 3.4Å; Q1636-P1638 VanDerWaalsContact OE1-CD 3.29Å
1639	S	31	Very low	34.9	Very low	98.6 Å²	98.6	148.1 Å²	148.1	69%	0.69	75%	0.75	S	S	*	*			trans	80.8	107.2	147.9	50.9	0	0	0	0	119.2	D1637 P1641	D1637-S1639 PolarHBondContact O-N 2.75Å; D1637-S1639 VanDerWaalsContact O-N 3.14Å; S1639-P1641 WeakPolarHBondContact O-CD 3.05Å
1640	C	27.1	Very low	35	Very low	124.2 Å²	124.2	146 Å²	146	84%	0.839	75%	0.747	S	S	*	*			trans	-97.1	147.6	134.5	-69.2	0	0	0	0	111	R1642	C1640-R1642 PolarHBondContact O-N 2.74Å
1641	P	36	Very low	35.1	Very low	102 Å²	102	145.6 Å²	145.6	66%	0.662	74%	0.743	S	S	*	*			trans	-107.2	164.3	177.9	18.9	-1.5	0	0	0	112.9	D1431 S1639 L1643	D1431-P1641 WeakPolarHBondContact O-CB 3.11Å; S1639-P1641 WeakPolarHBondContact O-CD 3.05Å; P1641-L1643 PolarHBondContact O-N 3.24Å
1642	R	30.2	Very low	35	Very low	228.2 Å²	228.2	145.2 Å²	145.2	86%	0.861	74%	0.741	S	S	*	*			trans	27.2	116.1	164.3	-65.1	174.9	163.1	166.7	-4.3	114.8	C1640 S1644	C1640-R1642 PolarHBondContact O-N 2.74Å; R1642-S1644 VanDerWaalsContact C-N 3.32Å; R1642-S1644 PolarHBondContact O-N 2.74Å
1643	L	32.4	Very low	34.9	Very low	161.6 Å²	161.6	143.6 Å²	143.6	85%	0.846	73%	0.733	S	S	*	*				-124.8	104.6	97.6	-70.3	-177.9	0	0	0	111.7	P1641 R1645	P1641-L1643 PolarHBondContact O-N 3.24Å; L1643-R1645 PolarHBondContact O-N 3.29Å
1644	S	32.1	Very low	34.9	Very low	95 Å²	95	143.3 Å²	143.3	66%	0.664	73%	0.732	S	S	*	*			trans	-70.9	132.4	133.1	23.1	0	0	0	0	110.1	L1429 P1430 R1642	L1429-S1644 CarbonylContact C-O 3.32Å; L1429-S1644 WeakPolarHBondContact CA-O 3.19Å; L1429-S1644 CarbonylContact O-C 3.59Å; P1430-S1644 PolarHBondContact O-OG 3.2Å; R1642-S1644 VanDerWaalsContact C-N 3.32Å; R1642-S1644 PolarHBondContact O-N 2.74Å
1645	R	38.3	Very low	34.8	Very low	203.2 Å²	203.2	141.3 Å²	141.3	77%	0.767	73%	0.731	S	S	*	*				88.9	117.5	127.3	-123.9	-179.2	164.6	144.5	3.8	111.8	E1428 L1429 L1643 L1647	E1428-R1645 CarbonylContact O-C 3.22Å; E1428-R1645 VanDerWaalsContact O-C 3.24Å; E1428-R1645 WeakPolarHBondContact O-CA 2.93Å; E1428-R1645 PolarHBondContact O-N 3.08Å; L1429-R1645 CarbonylContact O-C 3.55Å; L1429-R1645 PolarHBondContact O-N 2.81Å; L1643-R1645 PolarHBondContact O-N 3.29Å; R1645-L1647 PolarHBondContact O-N 3.46Å
1646	E	37.4	Very low	34.8	Very low	147.4 Å²	147.4	140.2 Å²	140.2	69%	0.689	73%	0.725	S	S	*	*				-147.4	142.8	51.7	-78.3	161.2	155.4	0	0	111.7	L1427 E1428 L1429	L1427-E1646 HydrophobicContact CD2-CB 4.43Å; E1428-E1646 CarbonylContact O-C 3.15Å; E1428-E1646 WeakPolarHBondContact O-CA 3.47Å; E1428-E1646 PolarHBondContact O-N 2.83Å; L1429-E1646 PolarHBondContact O-N 2.85Å
1647	L	34.3	Very low	34.8	Very low	125.6 Å²	125.6	139.7 Å²	139.7	66%	0.658	72%	0.722	S	S	*	*			trans	143.4	135.1	138.5	-81.7	175	0	0	0	114.8	L1427 E1428 R1645	L1427-L1647 CarbonylContact C-O 3.25Å; L1427-L1647 WeakPolarHBondContact CA-O 3.4Å; E1428-L1647 WeakPolarHBondContact CB-O 3.12Å; E1428-L1647 WeakPolarHBondContact CG-O 3.35Å; E1428-L1647 PolarHBondContact N-O 2.83Å; E1428-L1647 WeakPolarHBondContact OE2-CB 3.48Å; R1645-L1647 PolarHBondContact O-N 3.46Å
1648	L	37.6	Very low	34.7	Very low	125.6 Å²	125.6	138.9 Å²	138.9	66%	0.658	72%	0.718	S	S	*	*			trans	117.8	132.2	142.7	-79.8	171.3	0	0	0	113.5	L1427 K2435	L1427-L1648 PolarHBondContact N-O 3.15Å; L1648-K2435 HydrophobicContact CD1-CB 3.59Å; L1648-K2435 HydrophobicContact CD1-CG 4.34Å; L1648-K2435 HydrophobicContact CD2-CB 3.78Å; L1648-K2435 HydrophobicContact CD2-CG 3.94Å; L1648-K2435 HydrophobicContact CG-CB 4.36Å
1649	D	38.2	Very low	34.5	Very low	115.8 Å²	115.8	138.3 Å²	138.3	62%	0.619	72%	0.717	S	S	*	*				60.4	113.9	107.2	-77.4	-6	0	0	0	118.3	Y1426 K2435	Y1426-D1649 HydrophobicContact CD1-CB 4.49Å; Y1426-D1649 VanDerWaalsContact CE1-CA 3.45Å; Y1426-D1649 HydrophobicContact CE1-CB 3.89Å; Y1426-D1649 WeakPolarHBondContact CE1-OD1 3.5Å; Y1426-D1649 PolarHBondContact OH-OD1 3.09Å; D1649-K2435 WeakPolarHBondContact OD2-CG 3.03Å
1650	E	38	Very low	34.7	Very low	155.2 Å²	155.2	140.7 Å²	140.7	73%	0.725	72%	0.721	S	S	*	*				167.3	134.5	97.9	-90.7	-162.9	168.4	0	0	114.7	S1424	S1424-E1650 VanDerWaalsContact OG-C 3.27Å; S1424-E1650 PolarHBondContact OG-O 2.9Å
1651	K	37.8	Very low	35	Very low	163.4 Å²	163.4	141.2 Å²	141.2	71%	0.71	72%	0.716	S	S	*	*			trans	50.8	116.3	158.2	-69.5	-135.5	169.1	-164.3	0	118.7	P1423 S1424	P1423-K1651 CarbonylContact C-O 3.08Å; P1423-K1651 WeakPolarHBondContact CB-O 3.31Å; P1423-K1651 HydrophobicContact CG-CB 4.13Å; P1423-K1651 VanDerWaalsContact CG-O 3.29Å; P1423-K1651 WeakPolarHBondContact CG-O 3.06Å; S1424-K1651 CarbonylContact C-O 3.49Å; S1424-K1651 WeakPolarHBondContact CB-O 3.24Å; S1424-K1651 PolarHBondContact N-O 3.09Å; S1424-K1651 CarbonylContact O-C 2.91Å; S1424-K1651 VanDerWaalsContact O-C 3.25Å; S1424-K1651 PolarHBondContact OG-N 3.17Å; S1424-K1651 PolarHBondContact OG-O 2.93Å
1652	E	32.1	Very low	35	Very low	159.8 Å²	159.8	146.8 Å²	146.8	75%	0.747	72%	0.723	S	S	*	*			trans	-40.3	148.4	139.2	-69.2	-171.2	151.1	0	0	115.1	P1423 S1424 Y1441	P1423-E1652 VanDerWaalsContact CD-C 3.45Å; P1423-E1652 VanDerWaalsContact CD-O 3.31Å; P1423-E1652 WeakPolarHBondContact CD-O 3.07Å; P1423-E1652 VanDerWaalsContact O-CA 3.28Å; P1423-E1652 WeakPolarHBondContact O-CA 3.38Å; S1424-E1652 PolarHBondContact O-N 2.73Å; Y1441-E1652 HydrophobicContact CD2-CG 4.31Å; Y1441-E1652 HydrophobicContact CE2-CG 3.82Å; Y1441-E1652 VanDerWaalsContact CZ-CD 3.42Å; Y1441-E1652 PolarHBondContact OH-OE1 3Å; Y1441-E1652 PolarHBondContact OH-OE2 3.37Å; Y1441-E1652 VanDerWaalsContact OH-OE2 3.12Å
1653	P	37.6	Very low	35.2	Very low	89 Å²	89	140.9 Å²	140.9	58%	0.578	72%	0.716	S	S	*	*			cis	-121.4	156.2	12.6	37.3	-23.9	0	0	0	113.4	Y1441	Y1441-P1653 HydrophobicContact CD1-CB 4.45Å; Y1441-P1653 HydrophobicContact CD1-CG 3.98Å; Y1441-P1653 HydrophobicContact CD2-CB 4.26Å; Y1441-P1653 HydrophobicContact CG-CB 3.9Å; Y1441-P1653 HydrophobicContact CG-CG 3.92Å
1654	E	35	Very low	35.1	Very low	171.6 Å²	171.6	143.7 Å²	143.7	80%	0.802	72%	0.717	S	S	*	*			trans	142	112.9	153.2	-81.2	177.7	-159.7	0	0	114.6	L1656	E1654-L1656 VanDerWaalsContact C-N 3.29Å; E1654-L1656 PolarHBondContact O-N 2.7Å; E1654-L1656 VanDerWaalsContact O-N 3.13Å
1655	V	33.8	Very low	35.2	Very low	131.6 Å²	131.6	143.7 Å²	143.7	80%	0.798	72%	0.716	S	S	*	*			trans	-129.5	130.5	138.2	-147	0	0	0	0	111.5
1656	L	32	Very low	34.8	Very low	116.8 Å²	116.8	141.8 Å²	141.8	61%	0.612	72%	0.72	S	S	*	*			trans	-87.2	121.4	157	-93.2	168.3	0	0	0	115.9	L1160 D1173 E1654 E2365	L1160-L1656 HydrophobicContact CD1-CD2 3.41Å; L1160-L1656 VanDerWaalsContact CD1-CD2 3.41Å; L1160-L1656 HydrophobicContact CD2-CD1 4.41Å; L1160-L1656 HydrophobicContact CD2-CD2 4.06Å; L1160-L1656 HydrophobicContact CG-CD2 4.44Å; D1173-L1656 HydrophobicContact CB-CB 4.02Å; D1173-L1656 HydrophobicContact CB-CD1 3.56Å; D1173-L1656 HydrophobicContact CB-CG 4.41Å; D1173-L1656 VanDerWaalsContact O-CD1 3.22Å; D1173-L1656 WeakPolarHBondContact O-CD1 3.13Å; E1654-L1656 VanDerWaalsContact C-N 3.29Å; E1654-L1656 PolarHBondContact O-N 2.7Å; E1654-L1656 VanDerWaalsContact O-N 3.13Å; L1656-E2365 HydrophobicContact CD1-CG 3.71Å; L1656-E2365 HydrophobicContact CG-CG 4.47Å
1657	Q	38.2	Very low	34.5	Very low	161 Å²	161	140 Å²	140	75%	0.752	72%	0.721	S	S	*	*			trans	-146.9	118.6	133.2	-103.6	173	41.6	0	0	114.5	L1160 S1659	L1160-Q1657 HydrophobicContact CD1-CB 4.38Å; L1160-Q1657 HydrophobicContact CD1-CG 3.82Å; Q1657-S1659 VanDerWaalsContact CA-OG 3.32Å; Q1657-S1659 WeakPolarHBondContact CA-OG 3.49Å; Q1657-S1659 WeakPolarHBondContact CB-OG 3.28Å; Q1657-S1659 PolarHBondContact O-OG 3.48Å; Q1657-S1659 PolarHBondContact OE1-OG 2.68Å
1658	D	32.7	Very low	34.5	Very low	136.8 Å²	136.8	139.6 Å²	139.6	73%	0.732	73%	0.729	S	S	*	*			trans	-74.2	122.7	148.7	-92.9	-15.9	0	0	0	112.2	L1660	D1658-L1660 PolarHBondContact O-N 3.45Å; D1658-L1660 PolarHBondContact OD1-N 2.75Å
1659	S	32.4	Very low	34	Very low	92.8 Å²	92.8	136.3 Å²	136.3	65%	0.649	73%	0.725	S	S	*	*				-156.2	109.9	107.7	55.3	0	0	0	0	111.5	Q1657 D1661	Q1657-S1659 VanDerWaalsContact CA-OG 3.32Å; Q1657-S1659 WeakPolarHBondContact CA-OG 3.49Å; Q1657-S1659 WeakPolarHBondContact CB-OG 3.28Å; Q1657-S1659 PolarHBondContact O-OG 3.48Å; Q1657-S1659 PolarHBondContact OE1-OG 2.68Å; S1659-D1661 VanDerWaalsContact C-N 3.27Å; S1659-D1661 PolarHBondContact O-N 2.76Å
1660	L	35.9	Very low	33.7	Very low	148.2 Å²	148.2	140.9 Å²	140.9	78%	0.776	74%	0.735	S	S	*	*			trans	10.9	88.4	147.2	-63.3	176.4	0	0	0	114.8	D1658 R1662	D1658-L1660 PolarHBondContact O-N 3.45Å; D1658-L1660 PolarHBondContact OD1-N 2.75Å; L1660-R1662 PolarHBondContact O-N 3.22Å
1661	D	33	Very low	33.4	Very low	135.4 Å²	135.4	139.9 Å²	139.9	72%	0.724	73%	0.734	S	S	*	*				-119.8	132.5	115.8	-113.7	-31.7	0	0	0	112.1	S1659	S1659-D1661 VanDerWaalsContact C-N 3.27Å; S1659-D1661 PolarHBondContact O-N 2.76Å
1662	R	36.1	Very low	33.1	Very low	218.4 Å²	218.4	139.6 Å²	139.6	82%	0.824	74%	0.735	S	S	*	*			trans	-137.6	104.7	140.2	-108.5	159.7	-141.2	-146.6	1	112.9	L1660 Y1664	L1660-R1662 PolarHBondContact O-N 3.22Å; R1662-Y1664 PolarHBondContact O-N 3.14Å; R1662-Y1664 VanDerWaalsContact O-N 3.16Å
1663	C	33.4	Very low	33.4	Very low	104.8 Å²	104.8	139.5 Å²	139.5	71%	0.708	74%	0.739	S	S	*	*			trans	5.7	103.7	136.8	-71	0	0	0	0	113.6	S1665	C1663-S1665 PolarHBondContact O-N 3.04Å
1664	Y	30.8	Very low	33.2	Very low	221.2 Å²	221.2	140.3 Å²	140.3	87%	0.867	74%	0.744	S	S	*	*			trans	-42.4	98	140.1	-75.4	-75.4	0	0	0	112.1	R1662	R1662-Y1664 PolarHBondContact O-N 3.14Å; R1662-Y1664 VanDerWaalsContact O-N 3.16Å
1665	S	33.5	Very low	33.1	Very low	93.2 Å²	93.2	138.9 Å²	138.9	65%	0.652	74%	0.742	S	S	*	*			trans	-33.7	114.8	142.7	-61.5	0	0	0	0	112	C1663 P1667	C1663-S1665 PolarHBondContact O-N 3.04Å; S1665-P1667 WeakPolarHBondContact O-CD 3.43Å
1666	I	32	Very low	32.9	Very low	163.8 Å²	163.8	140.6 Å²	140.6	84%	0.84	75%	0.746	S	S	*	*				-126.2	122.1	120.5	-66.5	176.1	0	0	0	108.7	S1668	I1666-S1668 PolarHBondContact O-N 3.49Å; I1666-S1668 VanDerWaalsContact O-N 3.13Å
1667	P	30.8	Very low	33	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	75%	0.752	S	S	*	*			trans	-100.5	144.3	-175.1	29.2	-18.6	0	0	0	113.4	S1665 G1669	S1665-P1667 WeakPolarHBondContact O-CD 3.43Å; P1667-G1669 WeakPolarHBondContact O-CA 3.31Å; P1667-G1669 PolarHBondContact O-N 3.2Å
1668	S	32.9	Very low	32.8	Very low	116.8 Å²	116.8	139.3 Å²	139.3	82%	0.817	76%	0.756	S	S	*	*			trans	-47.9	117.3	158.7	40	0	0	0	0	113.3	I1666	I1666-S1668 PolarHBondContact O-N 3.49Å; I1666-S1668 VanDerWaalsContact O-N 3.13Å
1669	G	28.5	Very low	32.9	Very low	55.4 Å²	55.4	137.6 Å²	137.6	57%	0.571	75%	0.753	S	S	*	*			trans	-127	141	152.8	0	0	0	0	0	115.1	P1667	P1667-G1669 WeakPolarHBondContact O-CA 3.31Å; P1667-G1669 PolarHBondContact O-N 3.2Å
1670	Y	31.8	Very low	32.7	Very low	213.4 Å²	213.4	143.8 Å²	143.8	84%	0.837	76%	0.763	S	S	*	*			trans	-155.5	151	164.6	-69.3	-86.3	0	0	0	112.4	E1672	Y1670-E1672 HydrophobicContact CD1-CG 4.44Å
1671	L	31.8	Very low	32.4	Very low	133.2 Å²	133.2	141.9 Å²	141.9	70%	0.697	76%	0.762	S	S	*	*			cis	-148.6	141.6	-23.4	-162	131.3	0	0	0	108.7	L1673	L1671-L1673 HydrophobicContact CD2-CD1 4.12Å; L1671-L1673 HydrophobicContact CD2-CG 3.95Å
1672	E	30.6	Very low	32.3	Very low	157.2 Å²	157.2	140.6 Å²	140.6	74%	0.735	76%	0.764	S	S	*	*			trans	-17.9	133.6	161.6	-62.4	170.6	125.6	0	0	116.8	Y1670	Y1670-E1672 HydrophobicContact CD1-CG 4.44Å
1673	L	38	Very low	32.1	Very low	158.2 Å²	158.2	134.4 Å²	134.4	83%	0.828	76%	0.759	S	S	*	*			trans	-131.4	142.8	139.3	-86.4	169.8	0	0	0	109.8	L1671	L1671-L1673 HydrophobicContact CD2-CD1 4.12Å; L1671-L1673 HydrophobicContact CD2-CG 3.95Å
1674	P	33.3	Very low	31.8	Very low	105.8 Å²	105.8	135.1 Å²	135.1	69%	0.687	76%	0.76	S	S	*	*			trans	-97.2	156.7	-175.3	36.1	-28.9	0	0	0	112.5
1675	D	33.5	Very low	32.1	Very low	142.6 Å²	142.6	135 Å²	135	76%	0.763	76%	0.76	S	S	*	*			trans	153.5	120.7	157	-92.3	-15.4	0	0	0	114.3
1676	L	30.6	Very low	32.2	Very low	166.8 Å²	166.8	136 Å²	136	87%	0.873	77%	0.766	S	S	*	*				46.7	104.9	126.4	-77.2	136.3	0	0	0	116.7
1677	G	33.7	Very low	32.3	Very low	72.4 Å²	72.4	135.3 Å²	135.3	75%	0.746	76%	0.764	S	S	*	*			trans	147.5	130.9	139.1	0	0	0	0	0	116.5
1678	Q	32.7	Very low	32.7	Very low	177.4 Å²	177.4	138.6 Å²	138.6	83%	0.829	77%	0.77	S	S	*	*			trans	58.2	161.6	169	-65.2	-82.7	-13.3	0	0	114.2
1679	P	35.9	Very low	33	Very low	101.8 Å²	101.8	140.7 Å²	140.7	66%	0.661	77%	0.766	S	S	*	*				-134.2	164.2	-53.8	40.6	-24.5	0	0	0	115.6	S1681	P1679-S1681 PolarHBondContact O-N 2.77Å
1680	Y	27	Very low	33.3	Very low	223.2 Å²	223.2	145.4 Å²	145.4	88%	0.875	77%	0.774	S	S	*	*			trans	2.4	126.4	162.9	-75	-85.5	0	0	0	117.9
1681	S	30.6	Very low	33.4	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	77%	0.771	S	S	*	*				-164.8	143.3	103.2	173.3	0	0	0	0	112.8	P1679	P1679-S1681 PolarHBondContact O-N 2.77Å
1682	S	30.7	Very low	33.5	Very low	108 Å²	108	145.1 Å²	145.1	76%	0.755	77%	0.773	S	S	*	*			trans	-76.1	144.7	173.2	56.6	0	0	0	0	113.7
1683	A	31.8	Very low	33.7	Very low	87.8 Å²	87.8	140.7 Å²	140.7	73%	0.726	77%	0.77	S	S	*	*			cis	-163.8	139.7	46.5	0	0	0	0	0	112.9
1684	V	27.3	Very low	33.7	Very low	119.8 Å²	119.8	140.4 Å²	140.4	73%	0.726	77%	0.768	S	S	*	*			trans	43.8	111.3	138.3	-163.3	0	0	0	0	116.4
1685	Y	36.7	Very low	33.8	Very low	219.4 Å²	219.4	139.4 Å²	139.4	86%	0.86	77%	0.769	S	S	*	*			trans	-162	123.4	131.5	-87.6	-71.9	0	0	0	110.9
1686	S	35.3	Very low	34.1	Very low	113.4 Å²	113.4	139.7 Å²	139.7	79%	0.793	77%	0.77	S	S	*	*			trans	-103.1	131.2	143.7	-62.3	0	0	0	0	110.3
1687	L	35.7	Very low	34.5	Very low	148.8 Å²	148.8	138.5 Å²	138.5	78%	0.779	76%	0.764	S	S	*	*			trans	-147.9	112.4	154.9	-164.4	160.6	0	0	0	109.2	E1689	L1687-E1689 HydrophobicContact CD2-CB 4.04Å; L1687-E1689 HydrophobicContact CD2-CG 4.35Å
1688	E	38.1	Very low	34.9	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	76%	0.761	S	S	*	*			trans	-131.3	126.2	164.3	-95.8	147.8	-176.3	0	0	108.9
1689	E	38.7	Very low	35.2	Very low	159.8 Å²	159.8	138.4 Å²	138.4	75%	0.747	76%	0.756	S	S	*	*			trans	-102	124.8	150.8	-80.4	-177	-171.8	0	0	115	L1687 Y1691	L1687-E1689 HydrophobicContact CD2-CB 4.04Å; L1687-E1689 HydrophobicContact CD2-CG 4.35Å; E1689-Y1691 HydrophobicContact CB-CD2 4.45Å; E1689-Y1691 HydrophobicContact CB-CE2 4.47Å; E1689-Y1691 PolarHBondContact O-N 3.42Å
1690	Q	35	Very low	35.3	Very low	155.4 Å²	155.4	141.8 Å²	141.8	73%	0.726	76%	0.756	S	S	*	*			trans	-89.5	118.5	164.7	-102.6	169.4	-22.1	0	0	111.7	L1692	Q1690-L1692 PolarHBondContact O-N 2.69Å; Q1690-L1692 VanDerWaalsContact O-N 3.14Å
1691	Y	33.6	Very low	35.9	Very low	198.6 Å²	198.6	138 Å²	138	78%	0.779	75%	0.749	S	S	*	*			trans	-97.1	132.1	136.5	-98.6	-97.1	0	0	0	110.6	E1689	E1689-Y1691 HydrophobicContact CB-CD2 4.45Å; E1689-Y1691 HydrophobicContact CB-CE2 4.47Å; E1689-Y1691 PolarHBondContact O-N 3.42Å
1692	L	35.4	Very low	36.1	Very low	140.2 Å²	140.2	140.4 Å²	140.4	73%	0.734	75%	0.746	S	S	*	*			trans	-104.2	116.7	169.1	-84	149.9	0	0	0	111.4	Q1690 L1694 Q1705	Q1690-L1692 PolarHBondContact O-N 2.69Å; Q1690-L1692 VanDerWaalsContact O-N 3.14Å; L1692-L1694 PolarHBondContact O-N 2.78Å; L1692-L1694 VanDerWaalsContact O-N 3.11Å; L1692-Q1705 HydrophobicContact CD2-CG 3.86Å
1693	G	34.8	Very low	36.5	Very low	65 Å²	65	142.9 Å²	142.9	67%	0.67	74%	0.743	S	S	*	*			trans	-109.7	126.2	168.6	0	0	0	0	0	111.7	Q1705	G1693-Q1705 PolarHBondContact O-NE2 2.79Å
1694	L	37	Very low	36.8	Very low	153 Å²	153	144.7 Å²	144.7	80%	0.801	74%	0.741	S	S	*	*			trans	-57.2	136.1	174.1	-64	169	0	0	0	114.5	L1692 L1696 D1704 Q1705	L1692-L1694 PolarHBondContact O-N 2.78Å; L1692-L1694 VanDerWaalsContact O-N 3.11Å; L1694-L1696 PolarHBondContact O-N 2.68Å; L1694-D1704 VanDerWaalsContact CB-OD1 3.24Å; L1694-D1704 WeakPolarHBondContact CB-OD1 3.37Å; L1694-Q1705 HydrophobicContact CD1-CB 4.06Å; L1694-Q1705 HydrophobicContact CD1-CG 3.95Å; L1694-Q1705 HydrophobicContact CG-CG 4.21Å
1695	A	36.5	Very low	37.2	Very low	83.8 Å²	83.8	145.6 Å²	145.6	69%	0.693	74%	0.737	S	S	*	*			trans	-26.4	115.9	152.7	0	0	0	0	0	112.9	K1703 D1704	A1695-K1703 HydrophobicContact CB-CG 4.32Å; A1695-D1704 VanDerWaalsContact CB-OD1 3.22Å; A1695-D1704 WeakPolarHBondContact CB-OD1 3.47Å
1696	L	38.6	Very low	37.1	Very low	149.6 Å²	149.6	143.1 Å²	143.1	78%	0.783	73%	0.733	S	S	*	*			trans	-108.6	124.7	152.1	-67.7	176.1	0	0	0	109.7	L1694 V1698	L1694-L1696 PolarHBondContact O-N 2.68Å; L1696-V1698 HydrophobicContact CB-CG2 4.32Å; L1696-V1698 HydrophobicContact CD2-CG2 4.27Å; L1696-V1698 PolarHBondContact O-N 2.9Å; L1696-V1698 VanDerWaalsContact O-N 3.15Å
1697	D	38.3	Very low	37	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	73%	0.73	S	S	*	*			trans	-99.8	144.2	146.6	-85	-55.8	0	0	0	109.6	D1699 R1700 I1701 K1702	D1697-D1699 PolarHBondContact O-N 3.17Å; D1697-D1699 VanDerWaalsContact O-N 3.09Å; D1697-R1700 VanDerWaalsContact OD1-CA 3.24Å; D1697-R1700 WeakPolarHBondContact OD1-CA 3.26Å; D1697-R1700 PolarHBondContact OD1-N 3.35Å; D1697-I1701 PolarHBondContact OD1-N 2.79Å; D1697-K1702 PolarHBondContact OD2-N 2.87Å
1698	V	43.6	Very low	37	Very low	111.4 Å²	111.4	145.1 Å²	145.1	68%	0.675	73%	0.726	S	S	*	*			trans	-145.8	99.5	162.6	-165.4	0	0	0	0	111.6	L1696 R1700 L2206 S2207 R2208	L1696-V1698 HydrophobicContact CB-CG2 4.32Å; L1696-V1698 HydrophobicContact CD2-CG2 4.27Å; L1696-V1698 PolarHBondContact O-N 2.9Å; L1696-V1698 VanDerWaalsContact O-N 3.15Å; V1698-R1700 HydrophobicContact CG1-CB 4.01Å; V1698-L2206 VanDerWaalsContact CG1-C 3.43Å; V1698-S2207 WeakPolarHBondContact CB-O 3.08Å; V1698-S2207 WeakPolarHBondContact CB-OG 3.24Å; V1698-S2207 WeakPolarHBondContact CG2-OG 3.49Å; V1698-S2207 CarbonylContact O-C 3.24Å; V1698-S2207 VanDerWaalsContact O-C 3.24Å; V1698-R2208 PolarHBondContact O-N 2.78Å; V1698-R2208 VanDerWaalsContact O-N 3.15Å
1699	D	37.7	Very low	37	Very low	136 Å²	136	143.6 Å²	143.6	73%	0.727	72%	0.719	S	S	*	*			trans	-99.4	136.8	144.8	-109.7	-35.3	0	0	0	113.7	D1697 L2206 S2207	D1697-D1699 PolarHBondContact O-N 3.17Å; D1697-D1699 VanDerWaalsContact O-N 3.09Å; D1699-L2206 HydrophobicContact CB-CD2 4.42Å; D1699-L2206 WeakPolarHBondContact O-CA 3.4Å; D1699-S2207 PolarHBondContact O-N 2.76Å
1700	R	39	Very low	36.8	Very low	172.8 Å²	172.8	142.3 Å²	142.3	65%	0.652	72%	0.717	S	S	*	*			trans	101.9	117.3	171.6	-108.3	-170.1	-162.2	-159.6	2	114.6	D1697 V1698 K1702 Y1873 L2206 R2208	D1697-R1700 VanDerWaalsContact OD1-CA 3.24Å; D1697-R1700 WeakPolarHBondContact OD1-CA 3.26Å; D1697-R1700 PolarHBondContact OD1-N 3.35Å; V1698-R1700 HydrophobicContact CG1-CB 4.01Å; R1700-K1702 HydrophobicContact CG-CG 4.48Å; R1700-Y1873 VanDerWaalsContact NH1-CD1 3.33Å; R1700-L2206 HydrophobicContact CB-CD2 3.84Å; R1700-L2206 HydrophobicContact CG-CD2 3.46Å; R1700-L2206 VanDerWaalsContact CG-CD2 3.46Å; R1700-R2208 WeakPolarHBondContact O-CA 3.11Å; R1700-R2208 VanDerWaalsContact O-CB 3.29Å; R1700-R2208 WeakPolarHBondContact O-CB 3.42Å; R1700-R2208 WeakPolarHBondContact O-CG 3.36Å; R1700-R2208 PolarHBondContact O-N 3.05Å
1701	I	39.3	Very low	36.8	Very low	142.8 Å²	142.8	141.4 Å²	141.4	73%	0.732	71%	0.713	S	S	*	*			trans	-115.8	121.4	130.7	-66.9	169.9	0	0	0	109.8	D1697 K1703	D1697-I1701 PolarHBondContact OD1-N 2.79Å; I1701-K1703 HydrophobicContact CG2-CG 4.28Å; I1701-K1703 PolarHBondContact O-N 3.45Å; I1701-K1703 VanDerWaalsContact O-N 3.13Å
1702	K	34.8	Very low	36.8	Very low	159.6 Å²	159.6	139.3 Å²	139.3	69%	0.694	72%	0.715	S	S	*	*			trans	-46.4	129.2	157.4	-73	-174	169.2	-165	0	113.2	D1697 R1700	D1697-K1702 PolarHBondContact OD2-N 2.87Å; R1700-K1702 HydrophobicContact CG-CG 4.48Å
1703	K	38.7	Very low	37.1	Very low	159.2 Å²	159.2	137.6 Å²	137.6	69%	0.692	71%	0.713	S	S	*	*			trans	105	127.5	140.1	-69.6	-177	159.9	-149.3	0	111.9	A1695 I1701	A1695-K1703 HydrophobicContact CB-CG 4.32Å; I1701-K1703 HydrophobicContact CG2-CG 4.28Å; I1701-K1703 PolarHBondContact O-N 3.45Å; I1701-K1703 VanDerWaalsContact O-N 3.13Å
1704	D	38.3	Very low	37.2	Very low	126.8 Å²	126.8	140 Å²	140	68%	0.678	72%	0.716	S	S	*	*			cis	-147.5	145.1	46.5	-68.6	-45.4	0	0	0	109.4	L1694 A1695	L1694-D1704 VanDerWaalsContact CB-OD1 3.24Å; L1694-D1704 WeakPolarHBondContact CB-OD1 3.37Å; A1695-D1704 VanDerWaalsContact CB-OD1 3.22Å; A1695-D1704 WeakPolarHBondContact CB-OD1 3.47Å
1705	Q	35.5	Very low	36.8	Very low	138 Å²	138	138.6 Å²	138.6	65%	0.645	72%	0.718	S	S	*	*				161.5	119.4	130	-121.2	179.6	-26.5	0	0	111.4	L1692 G1693 L1694 E1707	L1692-Q1705 HydrophobicContact CD2-CG 3.86Å; G1693-Q1705 PolarHBondContact O-NE2 2.79Å; L1694-Q1705 HydrophobicContact CD1-CB 4.06Å; L1694-Q1705 HydrophobicContact CD1-CG 3.95Å; L1694-Q1705 HydrophobicContact CG-CG 4.21Å; Q1705-E1707 HydrophobicContact CG-CG 4.06Å; Q1705-E1707 PolarHBondContact NE2-OE1 2.76Å
1706	E	35.2	Very low	36.9	Very low	167.2 Å²	167.2	140.1 Å²	140.1	78%	0.781	72%	0.72	S	S	*	*			trans	-132.6	128.4	163.1	-105.7	164.6	176.6	0	0	106.6
1707	E	33.1	Very low	36.5	Very low	155.4 Å²	155.4	144.2 Å²	144.2	73%	0.726	73%	0.726	S	S	*	*				64.5	127.7	108.8	-69.8	-177.1	153.1	0	0	114.8	Q1705	Q1705-E1707 HydrophobicContact CG-CG 4.06Å; Q1705-E1707 PolarHBondContact NE2-OE1 2.76Å
1708	E	36.1	Very low	36.2	Very low	148 Å²	148	144.8 Å²	144.8	69%	0.692	73%	0.728	S	S	*	*			trans	88.9	154.8	140.6	-112.4	-174	161.6	0	0	116.6	C2233 L2234	E1708-C2233 VanDerWaalsContact CA-CB 3.45Å; E1708-C2233 VanDerWaalsContact CA-SG 3.55Å; E1708-C2233 HydrophobicContact CB-CB 4.49Å; E1708-C2233 PolarHBondContact O-SG 2.85Å; E1708-L2234 VanDerWaalsContact CA-N 3.3Å; E1708-L2234 HydrophobicContact CB-CB 3.68Å; E1708-L2234 HydrophobicContact CB-CD1 3.42Å; E1708-L2234 VanDerWaalsContact CB-CD1 3.42Å; E1708-L2234 HydrophobicContact CB-CD2 3.37Å; E1708-L2234 HydrophobicContact CB-CG 3.51Å; E1708-L2234 HydrophobicContact CG-CB 4.4Å; E1708-L2234 HydrophobicContact CG-CD2 3.85Å; E1708-L2234 HydrophobicContact CG-CG 4.38Å; E1708-L2234 WeakPolarHBondContact OE1-CA 3.19Å; E1708-L2234 WeakPolarHBondContact OE1-CD2 3.15Å; E1708-L2234 WeakPolarHBondContact OE2-CD2 3.14Å
1709	E	37.4	Very low	35.7	Very low	151.6 Å²	151.6	144.7 Å²	144.7	71%	0.708	73%	0.732	S	S	*	*			trans	-12.4	129.2	176.7	-92.9	178	152.9	0	0	117	Q1711 S2232 C2233 L2234	E1709-Q1711 HydrophobicContact CG-CG 3.48Å; E1709-Q1711 VanDerWaalsContact CG-CG 3.48Å; E1709-Q1711 PolarHBondContact OE1-NE2 2.89Å; E1709-S2232 WeakPolarHBondContact O-CB 3.41Å; E1709-C2233 CarbonylContact C-O 3.06Å; E1709-C2233 VanDerWaalsContact CA-C 3.49Å; E1709-C2233 WeakPolarHBondContact CA-O 3.13Å; E1709-C2233 PolarHBondContact N-O 3.24Å; E1709-C2233 PolarHBondContact O-SG 2.93Å; E1709-L2234 HydrophobicContact CB-CB 4.23Å; E1709-L2234 HydrophobicContact CB-CD1 3.65Å; E1709-L2234 HydrophobicContact CB-CG 4.45Å; E1709-L2234 HydrophobicContact CG-CB 4.05Å; E1709-L2234 HydrophobicContact CG-CD1 3.64Å; E1709-L2234 HydrophobicContact CG-CG 4.2Å; E1709-L2234 VanDerWaalsContact N-CD1 3.3Å
1710	D	34.5	Very low	35.8	Very low	132.2 Å²	132.2	148.5 Å²	148.5	71%	0.707	74%	0.736	S	S	*	*				-139.4	140.7	103.9	-162.3	13.2	0	0	0	113	S2232 C2233	D1710-S2232 VanDerWaalsContact O-CB 3.24Å; D1710-S2232 WeakPolarHBondContact O-CB 3.02Å; D1710-S2232 PolarHBondContact O-OG 2.75Å; D1710-C2233 PolarHBondContact N-O 2.69Å; D1710-C2233 VanDerWaalsContact N-O 3.13Å
1711	Q	36	Very low	35.7	Very low	135.6 Å²	135.6	147.5 Å²	147.5	63%	0.634	74%	0.739	S	S	*	*			trans	82.3	102	152.5	-65.4	-76.9	-15.9	0	0	118	E1709 P1713	E1709-Q1711 HydrophobicContact CG-CG 3.48Å; E1709-Q1711 VanDerWaalsContact CG-CG 3.48Å; E1709-Q1711 PolarHBondContact OE1-NE2 2.89Å; Q1711-P1713 VanDerWaalsContact O-CD 3.29Å; Q1711-P1713 WeakPolarHBondContact O-CD 3.25Å
1712	D	33.1	Very low	35.5	Very low	154.6 Å²	154.6	147.4 Å²	147.4	83%	0.827	74%	0.739	S	S	*	*			trans	-53.8	125.6	162	-101.4	-33.3	0	0	0	115.5
1713	P	41	Very low	35.4	Very low	105.6 Å²	105.6	145.8 Å²	145.8	69%	0.686	74%	0.737	S	S	*	*			trans	-108.6	172	149.2	29.5	-21.3	0	0	0	114.2	Q1711	Q1711-P1713 VanDerWaalsContact O-CD 3.29Å; Q1711-P1713 WeakPolarHBondContact O-CD 3.25Å
1714	P	36.9	Very low	35.3	Very low	115 Å²	115	146 Å²	146	75%	0.747	74%	0.741	S	S	*	*			trans	-105.8	155.8	-133.5	35.1	-29.3	0	0	0	116.5	P1716	P1714-P1716 WeakPolarHBondContact O-CD 3.49Å
1715	C	30.1	Very low	35.2	Very low	124.4 Å²	124.4	145.6 Å²	145.6	84%	0.841	74%	0.743	S	S	*	*			trans	-57.4	140.5	166.3	-56.5	0	0	0	0	115.7	R1717	C1715-R1717 PolarHBondContact O-N 2.94Å
1716	P	36.7	Very low	35.1	Very low	114.4 Å²	114.4	144.6 Å²	144.6	74%	0.743	75%	0.746	S	S	*	*			trans	-93.5	147.7	-177.4	17.2	-7.8	0	0	0	114.2	P1714	P1714-P1716 WeakPolarHBondContact O-CD 3.49Å
1717	R	31.5	Very low	35.1	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	75%	0.746	S	S	*	*			trans	159.3	124.7	142.4	-87.2	179.6	171	143.9	1.3	115.2	C1715	C1715-R1717 PolarHBondContact O-N 2.94Å
1718	L	31.8	Very low	35.4	Very low	154.6 Å²	154.6	142.8 Å²	142.8	81%	0.809	75%	0.747	S	S	*	*			trans	18	120.3	139.1	-61.5	-178.5	0	0	0	113.3	R1720	L1718-R1720 PolarHBondContact O-N 3.01Å
1719	S	33.6	Very low	35.2	Very low	109.4 Å²	109.4	143.4 Å²	143.4	77%	0.765	75%	0.75	S	S	*	*			trans	58.5	110.6	131.7	68.4	0	0	0	0	113.4
1720	R	39.9	Very low	35.2	Very low	214.4 Å²	214.4	141.8 Å²	141.8	81%	0.809	75%	0.751	S	S	*	*				-154	102.5	105.2	-148	176.5	173.9	175.8	3.8	109.8	L1718	L1718-R1720 PolarHBondContact O-N 3.01Å
1721	E	37.1	Very low	35.1	Very low	152.8 Å²	152.8	142.1 Å²	142.1	71%	0.714	75%	0.751	S	S	*	*				179.7	139.5	106.8	-87.2	178.8	167.7	0	0	110	L1723	E1721-L1723 HydrophobicContact CB-CD1 4.46Å; E1721-L1723 HydrophobicContact CB-CD2 4.27Å; E1721-L1723 HydrophobicContact CG-CD1 4.41Å; E1721-L1723 HydrophobicContact CG-CD2 4.08Å
1722	L	33.5	Very low	35.2	Very low	139.8 Å²	139.8	143.5 Å²	143.5	73%	0.732	76%	0.758	S	S	*	*				172.1	119.9	123.1	-104.8	166.9	0	0	0	112.1
1723	L	33.8	Very low	35.2	Very low	125.8 Å²	125.8	142.6 Å²	142.6	66%	0.659	75%	0.753	S	S	*	*				59.5	137.5	128	-113.9	68.1	0	0	0	116.3	E1721 V1725	E1721-L1723 HydrophobicContact CB-CD1 4.46Å; E1721-L1723 HydrophobicContact CB-CD2 4.27Å; E1721-L1723 HydrophobicContact CG-CD1 4.41Å; E1721-L1723 HydrophobicContact CG-CD2 4.08Å; L1723-V1725 PolarHBondContact O-N 3.18Å
1724	E	36.1	Very low	35	Very low	163.6 Å²	163.6	142.3 Å²	142.3	76%	0.764	75%	0.754	S	S	*	*				-134	147.6	51.4	-146.6	158.9	-157.2	0	0	113.7
1725	V	36.5	Very low	35	Very low	119.2 Å²	119.2	144.6 Å²	144.6	72%	0.722	76%	0.759	S	S	*	*				114.5	124.1	128.6	164.5	0	0	0	0	115	L1723	L1723-V1725 PolarHBondContact O-N 3.18Å
1726	V	33.9	Very low	35.4	Very low	117.2 Å²	117.2	144.8 Å²	144.8	71%	0.71	75%	0.752	S	S	*	*			trans	31	128.3	153.7	167.1	0	0	0	0	116
1727	E	33.7	Very low	35.4	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	76%	0.755	S	S	*	*				39.9	154.7	127.1	-85.2	-177.6	144.3	0	0	115	E1729	E1727-E1729 PolarHBondContact O-N 3.15Å
1728	P	39.3	Very low	35.5	Very low	114.6 Å²	114.6	142.5 Å²	142.5	74%	0.744	74%	0.741	S	S	*	*			trans	-110.4	154.7	152	37.5	-27.3	0	0	0	114.3	V1730	P1728-V1730 PolarHBondContact O-N 3.47Å
1729	E	33.7	Very low	35.5	Very low	160.6 Å²	160.6	144.5 Å²	144.5	75%	0.75	74%	0.739	S	S	*	*			trans	20.7	125.8	164.6	-69.4	-145.5	153.1	0	0	114.8	E1727 L1731	E1727-E1729 PolarHBondContact O-N 3.15Å; E1729-L1731 PolarHBondContact O-N 2.81Å
1730	V	35.7	Very low	35.6	Very low	119.6 Å²	119.6	144.2 Å²	144.2	73%	0.725	74%	0.737	S	S	*	*			trans	11.9	126.8	141.9	-85	0	0	0	0	116.4	P1728 Q1732	P1728-V1730 PolarHBondContact O-N 3.47Å; V1730-Q1732 PolarHBondContact O-N 3.16Å
1731	L	32.9	Very low	35.3	Very low	137.2 Å²	137.2	140.2 Å²	140.2	72%	0.718	74%	0.736	S	S	*	*				-79.4	134.5	95.8	-99.8	168.3	0	0	0	113.6	E1729	E1729-L1731 PolarHBondContact O-N 2.81Å
1732	Q	38.6	Very low	35.2	Very low	165.8 Å²	165.8	138.4 Å²	138.4	78%	0.775	74%	0.738	S	S	*	*			trans	75	126.1	131.9	-83	163.7	35.2	0	0	114.9	V1730	V1730-Q1732 PolarHBondContact O-N 3.16Å
1733	D	33	Very low	35.2	Very low	135.2 Å²	135.2	137.2 Å²	137.2	72%	0.723	74%	0.741	S	S	*	*			trans	-118.2	164.9	140.1	-116.7	-13.2	0	0	0	115.8	L1735	D1733-L1735 PolarHBondContact O-N 3.39Å; D1733-L1735 VanDerWaalsContact O-N 3.07Å
1734	S	37.1	Very low	34.9	Very low	100.4 Å²	100.4	136 Å²	136	70%	0.702	74%	0.744	S	S	*	*			trans	59.4	120	179.7	62.7	0	0	0	0	116.4
1735	L	37.2	Very low	34.5	Very low	163.4 Å²	163.4	133.4 Å²	133.4	86%	0.855	74%	0.742	S	S	*	*				107.1	93	125.1	-63	175	0	0	0	115.2	D1733 R1737	D1733-L1735 PolarHBondContact O-N 3.39Å; D1733-L1735 VanDerWaalsContact O-N 3.07Å; L1735-R1737 VanDerWaalsContact C-N 3.35Å; L1735-R1737 PolarHBondContact O-N 3.15Å
1736	D	38	Very low	34.2	Very low	128 Å²	128	135.2 Å²	135.2	68%	0.684	75%	0.747	S	S	*	*			trans	-78.4	129.4	142.7	-149.4	-7.8	0	0	0	113.5	C1738	D1736-C1738 PolarHBondContact OD1-N 2.86Å; D1736-C1738 PolarHBondContact OD1-SG 3.06Å; D1736-C1738 VanDerWaalsContact OD1-SG 3.36Å; D1736-C1738 PolarHBondContact OD2-N 3.15Å
1737	R	37.4	Very low	34.1	Very low	213.4 Å²	213.4	137.5 Å²	137.5	81%	0.805	75%	0.75	S	S	*	*			trans	-173.7	125.3	143.5	-123.7	169.9	-167.6	-158.6	0	115.8	L1735 Y1739	L1735-R1737 VanDerWaalsContact C-N 3.35Å; L1735-R1737 PolarHBondContact O-N 3.15Å; R1737-Y1739 HydrophobicContact CG-CD2 4.37Å
1738	C	32.6	Very low	34.1	Very low	88 Å²	88	137.9 Å²	137.9	60%	0.595	75%	0.752	S	S	*	*			trans	73.1	127.7	135.4	-61.8	0	0	0	0	119.2	D1736	D1736-C1738 PolarHBondContact OD1-N 2.86Å; D1736-C1738 PolarHBondContact OD1-SG 3.06Å; D1736-C1738 VanDerWaalsContact OD1-SG 3.36Å; D1736-C1738 PolarHBondContact OD2-N 3.15Å
1739	Y	31.8	Very low	33.8	Very low	197.2 Å²	197.2	137.8 Å²	137.8	77%	0.773	75%	0.751	S	S	*	*			trans	55.1	129.4	144.3	-39.4	-67	0	0	0	119	R1737 L1856 E1857	R1737-Y1739 HydrophobicContact CG-CD2 4.37Å; Y1739-L1856 HydrophobicContact CE1-CB 3.82Å; Y1739-L1856 VanDerWaalsContact OH-C 3.27Å; Y1739-L1856 PolarHBondContact OH-O 3.38Å; Y1739-E1857 PolarHBondContact OH-N 2.62Å
1740	S	35.6	Very low	33.7	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	75%	0.754	S	S	*	*				154.9	141.4	103	-80.7	0	0	0	0	116.2
1741	T	34	Very low	33.2	Very low	131 Å²	131	137 Å²	137	80%	0.804	76%	0.756	S	S	*	*			trans	118.4	153.4	153	31.5	0	0	0	0	114.7
1742	P	33.7	Very low	33.1	Very low	114.8 Å²	114.8	136.1 Å²	136.1	75%	0.745	76%	0.76	S	S	*	*			cis	-125.7	170.4	-11.3	39.4	-27	0	0	0	116	S1744	P1742-S1744 PolarHBondContact O-N 3.46Å; P1742-S1744 VanDerWaalsContact O-N 3.14Å
1743	S	33.6	Very low	32.9	Very low	114.2 Å²	114.2	137.1 Å²	137.1	80%	0.799	77%	0.765	S	S	*	*			trans	158.7	137.1	152.2	73	0	0	0	0	113.9
1744	S	27.7	Very low	32.9	Very low	101.2 Å²	101.2	135.8 Å²	135.8	71%	0.708	76%	0.764	S	S	*	*			cis	-166.4	140.3	-27.8	55.9	0	0	0	0	113.3	P1742	P1742-S1744 PolarHBondContact O-N 3.46Å; P1742-S1744 VanDerWaalsContact O-N 3.14Å
1745	C	27.8	Very low	32.4	Very low	109.2 Å²	109.2	142.3 Å²	142.3	74%	0.738	78%	0.775	S	S	*	*			trans	79.4	142.1	169.7	50.8	0	0	0	0	117.2	E1747	C1745-E1747 PolarHBondContact O-N 2.66Å
1746	L	31.7	Very low	32.1	Very low	155.6 Å²	155.6	137.7 Å²	137.7	82%	0.815	77%	0.767	S	S	*	*				-148.3	144.3	118.3	-95.4	169	0	0	0	112.8
1747	E	31.6	Very low	31.6	Very low	165.4 Å²	165.4	136.7 Å²	136.7	77%	0.773	77%	0.77	S	S	*	*			trans	36.9	129.8	157.6	-96.6	165.2	157.4	0	0	120.8	C1745	C1745-E1747 PolarHBondContact O-N 2.66Å
1748	Q	32.2	Very low	31.3	Very low	178.8 Å²	178.8	131.2 Å²	131.2	84%	0.836	76%	0.764	S	S	*	*			trans	-34.1	159.3	154.9	-66.4	-175.5	-83.5	0	0	117.5	D1750	Q1748-D1750 PolarHBondContact O-N 3.29Å
1749	P	34.4	Very low	31	Very low	111.8 Å²	111.8	135.6 Å²	135.6	73%	0.726	77%	0.773	S	S	*	*				-114	172.8	-99.6	37.9	-27.3	0	0	0	114.4
1750	D	30	Very low	31.1	Very low	153.6 Å²	153.6	135.7 Å²	135.7	82%	0.821	77%	0.774	S	S	*	*			trans	-81.7	141.6	159.3	-88.9	-30.9	0	0	0	116.8	Q1748 C1752	Q1748-D1750 PolarHBondContact O-N 3.29Å; D1750-C1752 PolarHBondContact O-N 2.75Å
1751	S	26.8	Very low	31	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	77%	0.772	S	S	*	*			trans	-137.4	141	167.7	70.1	0	0	0	0	115.8
1752	C	30.2	Very low	31.2	Very low	119.6 Å²	119.6	135.7 Å²	135.7	81%	0.808	77%	0.771	S	S	*	*			trans	-90	139.3	165.7	-69.7	0	0	0	0	115.5	D1750 P1754	D1750-C1752 PolarHBondContact O-N 2.75Å; C1752-P1754 VanDerWaalsContact O-CD 3.24Å; C1752-P1754 WeakPolarHBondContact O-CD 2.99Å
1753	Q	33.5	Very low	31.3	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	78%	0.775	S	S	*	*			trans	-79.1	145.2	146	-73.5	-123.2	-14.2	0	0	112.4
1754	P	34	Very low	31.5	Very low	108 Å²	108	139.6 Å²	139.6	70%	0.701	77%	0.767	S	S	*	*				-131.1	157.6	109.5	37.1	-24.9	0	0	0	114.8	C1752 G1756	C1752-P1754 VanDerWaalsContact O-CD 3.24Å; C1752-P1754 WeakPolarHBondContact O-CD 2.99Å; P1754-G1756 VanDerWaalsContact C-N 3.34Å; P1754-G1756 PolarHBondContact O-N 2.79Å
1755	Y	26.7	Very low	31.9	Very low	236.6 Å²	236.6	141.9 Å²	141.9	93%	0.928	76%	0.764	S	S	*	*			trans	-59.1	115.7	156.9	-149.4	-99	0	0	0	113.6
1756	G	30.3	Very low	32.4	Very low	66.2 Å²	66.2	144.6 Å²	144.6	68%	0.682	77%	0.766	S	S	*	*			trans	142.1	109	166.5	0	0	0	0	0	116.2	P1754	P1754-G1756 VanDerWaalsContact C-N 3.34Å; P1754-G1756 PolarHBondContact O-N 2.79Å
1757	S	27.8	Very low	32.5	Very low	106.8 Å²	106.8	143.5 Å²	143.5	75%	0.747	77%	0.765	S	S	*	*			trans	-123	126.9	159.1	47.3	0	0	0	0	116.4	F1759	S1757-F1759 WeakPolarHBondContact O-CD2 3.13Å
1758	S	30.4	Very low	32.6	Very low	98.8 Å²	98.8	138.6 Å²	138.6	69%	0.691	76%	0.759	S	S	*	*			trans	159.1	106.1	143.4	55	0	0	0	0	114.3	Y1760	S1758-Y1760 PolarHBondContact O-N 3.43Å
1759	F	27.8	Very low	32.7	Very low	178.8 Å²	178.8	139.1 Å²	139.1	78%	0.784	76%	0.759	S	S	*	*			trans	50.9	135	130.5	-85.9	-94.2	0	0	0	114.8	S1757 P1848	S1757-F1759 WeakPolarHBondContact O-CD2 3.13Å; F1759-P1848 VanDerWaalsContact O-CG 3.23Å; F1759-P1848 WeakPolarHBondContact O-CG 2.99Å
1760	Y	33.4	Very low	32.8	Very low	199.4 Å²	199.4	138.5 Å²	138.5	78%	0.782	76%	0.757	S	S	*	*				-140	143.3	129.1	-79.2	-79.4	0	0	0	113.9	S1758 Y1849	S1758-Y1760 PolarHBondContact O-N 3.43Å; Y1760-Y1849 HydrophobicContact CD2-CD2 4.45Å; Y1760-Y1849 AromaticContact CD2-CE2 3.64Å; Y1760-Y1849 HydrophobicContact CD2-CE2 3.64Å; Y1760-Y1849 AromaticContact CE2-CE2 3.65Å; Y1760-Y1849 HydrophobicContact CE2-CE2 3.65Å; Y1760-Y1849 HydrophobicContact CG-CE2 4.48Å
1761	A	34	Very low	32.9	Very low	82.4 Å²	82.4	138.2 Å²	138.2	68%	0.681	76%	0.755	S	S	*	*			trans	111.1	130.3	146.2	0	0	0	0	0	114.4
1762	L	36.5	Very low	33.3	Very low	152.2 Å²	152.2	139.3 Å²	139.3	80%	0.797	75%	0.752	S	S	*	*			trans	95.7	136.8	160.6	-60.3	176.3	0	0	0	114.2
1763	E	37.2	Very low	33.6	Very low	174.6 Å²	174.6	139.6 Å²	139.6	82%	0.816	75%	0.75	S	S	*	*				166	151.5	91	-101.5	173.7	-153.6	0	0	112.3
1764	E	37.9	Very low	33.6	Very low	136.4 Å²	136.4	133.8 Å²	133.8	64%	0.637	74%	0.741	S	S	*	*			trans	-159	138.1	147	-169.1	175.3	-158.5	0	0	111	P935 S936 H1766	P935-E1764 CarbonylContact C-O 3.07Å; P935-E1764 VanDerWaalsContact CA-O 3.28Å; P935-E1764 WeakPolarHBondContact CA-O 3.25Å; P935-E1764 CarbonylContact O-C 3.31Å; S936-E1764 PolarHBondContact N-O 3.14Å; E1764-H1766 IonicContact OE1-CD2 2.89Å; E1764-H1766 PolarHBondContact OE1-CD2 3.2Å; E1764-H1766 IonicContact OE1-NE2 3.21Å
1765	K	36.2	Very low	33.6	Very low	150.2 Å²	150.2	137.2 Å²	137.2	65%	0.653	75%	0.747	S	S	*	*			trans	72.7	118.1	146.4	-85.4	171.2	-162.1	146	0	115.5	S933 I934 P935	S933-K1765 WeakPolarHBondContact OG-CB 3.33Å; S933-K1765 WeakPolarHBondContact OG-CG 3.31Å; I934-K1765 CarbonylContact O-C 3.44Å; I934-K1765 WeakPolarHBondContact O-CA 3.21Å; P935-K1765 CarbonylContact O-C 3.17Å; P935-K1765 WeakPolarHBondContact O-CA 3.41Å; P935-K1765 PolarHBondContact O-N 2.88Å
1766	H	37.5	Very low	34.2	Very low	166.4 Å²	166.4	133.5 Å²	133.5	77%	0.77	74%	0.742	S	S	*	*			trans	-121	122.8	149.2	-73.5	-77.2	0	0	0	111.3	I934 P935 E1764	I934-H1766 PolarHBondContact O-N 3.27Å; P935-H1766 WeakPolarHBondContact CD-O 3.28Å; P935-H1766 PolarHBondContact O-N 3.46Å; E1764-H1766 IonicContact OE1-CD2 2.89Å; E1764-H1766 PolarHBondContact OE1-CD2 3.2Å; E1764-H1766 IonicContact OE1-NE2 3.21Å
1767	V	34.1	Very low	34.5	Very low	131.6 Å²	131.6	138.2 Å²	138.2	80%	0.798	75%	0.746	S	S	*	*				94.8	116.6	114.7	-177.6	0	0	0	0	111.8	P935	P935-V1767 WeakPolarHBondContact CD-O 3.33Å; P935-V1767 VanDerWaalsContact CG-O 3.23Å; P935-V1767 WeakPolarHBondContact CG-O 3.39Å
1768	G	33.2	Very low	35	Very low	62.4 Å²	62.4	141.6 Å²	141.6	64%	0.643	75%	0.747	S	S	*	*			trans	-172.3	114.4	172.9	0	0	0	0	0	115
1769	F	33.7	Very low	35.4	Very low	188.4 Å²	188.4	146.6 Å²	146.6	83%	0.826	76%	0.756	S	S	*	*			trans	-85.3	131.1	163.3	-69.3	-78.3	0	0	0	112.3
1770	S	37	Very low	35.7	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	76%	0.756	S	S	*	*				171.4	128.5	129	-62.5	0	0	0	0	113.4
1771	L	33.1	Very low	35.7	Very low	147.6 Å²	147.6	141.2 Å²	141.2	77%	0.773	76%	0.758	S	S	*	*			trans	166.2	134.7	141.9	-92.3	161.6	0	0	0	110.1
1772	D	34.2	Very low	35.9	Very low	132 Å²	132	140.8 Å²	140.8	71%	0.706	76%	0.762	S	S	*	*			cis	162.1	140	45.9	-142.2	5.4	0	0	0	112.9
1773	V	36	Very low	36	Very low	124.8 Å²	124.8	142.8 Å²	142.8	76%	0.756	76%	0.764	S	S	*	*			trans	106	130.2	165.3	-179.4	0	0	0	0	113.4	E1775	V1773-E1775 HydrophobicContact CG1-CG 3.9Å
1774	G	34.5	Very low	36.1	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	76%	0.761	S	S	*	*			trans	125.5	78.8	170.2	0	0	0	0	0	113.1	I1776	G1774-I1776 PolarHBondContact O-N 2.97Å
1775	E	33.9	Very low	36.2	Very low	179.8 Å²	179.8	146.9 Å²	146.9	84%	0.84	77%	0.771	S	S	*	*				20.3	131.9	105	-61.1	-164.6	133.9	0	0	113.7	V1773	V1773-E1775 HydrophobicContact CG1-CG 3.9Å
1776	I	39.9	Very low	36.3	Very low	159.4 Å²	159.4	150.3 Å²	150.3	82%	0.817	78%	0.78	S	S	*	*			trans	148.5	114.5	145.6	38.5	166	0	0	0	113.2	G1774	G1774-I1776 PolarHBondContact O-N 2.97Å
1777	E	37	Very low	36.6	Very low	163.6 Å²	163.6	145.7 Å²	145.7	76%	0.764	78%	0.777	S	S	*	*				53.1	135.3	71.8	-79.8	-161.7	119.9	0	0	115.3	K1779	E1777-K1779 PolarHBondContact O-N 3.01Å
1778	K	38.1	Very low	37	Very low	177.8 Å²	177.8	149 Å²	149	77%	0.773	78%	0.775	S	S	*	*			trans	61	89.8	142.5	-77.5	178.4	180	154.6	0	114.5	G1780	K1778-G1780 PolarHBondContact O-N 2.63Å
1779	K	37.5	Very low	37.3	Very low	204 Å²	204	156.5 Å²	156.5	89%	0.887	78%	0.784	S	S	*	*				-107.7	116.5	126.4	-73.6	-180	-178.7	172.8	0	111.5	E1777	E1777-K1779 PolarHBondContact O-N 3.01Å
1780	G	34.5	Very low	37.7	Very low	74.6 Å²	74.6	152.4 Å²	152.4	77%	0.769	78%	0.779	S	S	*	*			trans	122.1	105.6	133.6	0	0	0	0	0	115.4	K1778 G1782	K1778-G1780 PolarHBondContact O-N 2.63Å; G1780-G1782 PolarHBondContact O-N 3.31Å
1781	K	33.6	Very low	37.8	Very low	191 Å²	191	156.8 Å²	156.8	83%	0.83	79%	0.785	S	S	*	*			trans	-82.4	122.2	170.8	-68.5	-171	175.1	-178.4	0	111.9	V1237 V1238	V1237-K1781 HydrophobicContact CG2-CD 3.93Å; V1237-K1781 HydrophobicContact CG2-CG 4.43Å; V1238-K1781 WeakPolarHBondContact O-CE 2.99Å; V1238-K1781 PolarHBondContact O-NZ 3.15Å
1782	G	37.5	Very low	38.1	Very low	73.6 Å²	73.6	158.1 Å²	158.1	76%	0.759	79%	0.785	S	S	*	*			trans	-161.5	88.2	-177.5	0	0	0	0	0	114	G1780 K1784	G1780-G1782 PolarHBondContact O-N 3.31Å; G1782-K1784 PolarHBondContact O-N 3.08Å
1783	K	39.1	Very low	38.2	Very low	194 Å²	194	157.6 Å²	157.6	84%	0.843	78%	0.778	S	S	*	*			trans	-83.4	120.2	174.7	-74.8	179.4	175.4	173.6	0	113.1	E1239	E1239-K1783 WeakPolarHBondContact OE1-CE 2.92Å; E1239-K1783 IonicContact OE1-NZ 2.71Å; E1239-K1783 PolarHBondContact OE1-NZ 3.19Å
1784	K	39.3	Very low	38.3	Very low	174.8 Å²	174.8	160.9 Å²	160.9	76%	0.76	78%	0.777	S	S	*	*			trans	104.3	126.5	145.2	-70.5	175	179.5	-171.9	0	115.6	D1391 G1782 E2196 D2198	D1391-K1784 IonicContact OD1-NZ 3.13Å; D1391-K1784 PolarHBondContact OD1-NZ 3.41Å; G1782-K1784 PolarHBondContact O-N 3.08Å; K1784-E2196 IonicContact NZ-OE2 3.56Å; K1784-E2196 PolarHBondContact NZ-OE2 3.35Å; K1784-D2198 WeakPolarHBondContact CE-OD2 3.49Å; K1784-D2198 IonicContact NZ-OD2 2.71Å; K1784-D2198 PolarHBondContact NZ-OD2 3.35Å
1785	R	41.1	Very low	38.4	Very low	222.2 Å²	222.2	168.1 Å²	168.1	84%	0.838	78%	0.784	S	S	*	*			trans	-137.6	120.1	139.6	-74.6	-168.7	123.6	161	-3.4	113.7	E1389 E1390 G1787	E1389-R1785 PolarHBondContact O-NH2 3.15Å; E1390-R1785 PolarHBondContact O-NE 3.37Å; E1390-R1785 PolarHBondContact O-NH2 3.31Å; R1785-G1787 PolarHBondContact O-N 3.46Å
1786	R	38.3	Very low	38.6	Very low	222 Å²	222	171 Å²	171	84%	0.838	79%	0.787	S	S	*	*			trans	-28.9	125.3	159.5	-66.6	173.6	169.2	177.2	-6.2	114	Q1386 E1389 E2196	Q1386-R1786 CarbonylContact O-C 3.09Å; E1389-R1786 VanDerWaalsContact CB-NH1 3.29Å; E1389-R1786 PolarHBondContact O-NH1 2.89Å; R1786-E2196 IonicContact CZ-OE1 3.74Å; R1786-E2196 IonicContact NE-OE1 3.92Å; R1786-E2196 IonicContact NH2-OE1 2.74Å; R1786-E2196 PolarHBondContact NH2-OE1 2.84Å
1787	G	42.6	Very low	38.4	Very low	69.2 Å²	69.2	167 Å²	167	71%	0.713	79%	0.785	S	S	*	*			trans	-137	0	162.8	0	0	0	0	0	113.2	Y1385 Q1386 E1387 R1785 R1789	Y1385-G1787 CarbonylContact C-O 3.21Å; Y1385-G1787 VanDerWaalsContact CA-O 3.29Å; Y1385-G1787 WeakPolarHBondContact CA-O 3.21Å; Y1385-G1787 VanDerWaalsContact CB-O 3.24Å; Y1385-G1787 WeakPolarHBondContact CB-O 3.18Å; Q1386-G1787 CarbonylContact C-O 3.35Å; Q1386-G1787 WeakPolarHBondContact CA-O 3.44Å; Q1386-G1787 VanDerWaalsContact N-C 3.31Å; Q1386-G1787 PolarHBondContact N-O 2.86Å; Q1386-G1787 CarbonylContact O-C 3.07Å; Q1386-G1787 WeakPolarHBondContact O-CA 3.3Å; Q1386-G1787 PolarHBondContact O-N 2.99Å; E1387-G1787 VanDerWaalsContact CB-C 3.46Å; E1387-G1787 VanDerWaalsContact CG-C 3.43Å; E1387-G1787 VanDerWaalsContact CG-CA 3.4Å; R1785-G1787 PolarHBondContact O-N 3.46Å; G1787-R1789 PolarHBondContact O-N 2.89Å
1788	R	43.1	Very low	38.4	Very low	202.6 Å²	202.6	170.2 Å²	170.2	77%	0.765	79%	0.79	S	S	*	*				0	132.7	0	-87.1	176.3	-171.4	-172.4	-5	115.4	Y1385 E1387 V1388 E1389	Y1385-R1788 WeakPolarHBondContact CB-O 3.34Å; Y1385-R1788 WeakPolarHBondContact CD2-O 3.44Å; Y1385-R1788 WeakPolarHBondContact CE2-O 3.1Å; Y1385-R1788 VanDerWaalsContact CG-C 3.49Å; E1387-R1788 HydrophobicContact CB-CB 3.31Å; E1387-R1788 HydrophobicContact CB-CG 4.32Å; E1387-R1788 HydrophobicContact CG-CB 3.51Å; E1387-R1788 PolarHBondContact O-NE 3.34Å; E1387-R1788 VanDerWaalsContact O-NE 3.14Å; E1387-R1788 PolarHBondContact O-NH2 3.16Å; E1387-R1788 WeakPolarHBondContact OE1-CB 2.97Å; E1387-R1788 WeakPolarHBondContact OE2-CA 3.14Å; E1387-R1788 WeakPolarHBondContact OE2-CB 2.86Å; E1387-R1788 PolarHBondContact OE2-N 2.65Å; V1388-R1788 PolarHBondContact O-NH2 3.38Å; E1389-R1788 IonicContact OE1-CZ 3.58Å; E1389-R1788 IonicContact OE1-NH1 3.53Å; E1389-R1788 PolarHBondContact OE1-NH1 3.45Å; E1389-R1788 IonicContact OE1-NH2 2.73Å; E1389-R1788 PolarHBondContact OE1-NH2 2.65Å; E1389-R1788 IonicContact OE2-CZ 2.77Å; E1389-R1788 IonicContact OE2-NH1 3.29Å; E1389-R1788 IonicContact OE2-NH2 3.43Å; E1389-R1788 PolarHBondContact OE2-NH2 3.35Å
1789	R	40	Very low	38.3	Very low	218.8 Å²	218.8	169.6 Å²	169.6	83%	0.826	79%	0.788	S	S	*	*			trans	3.6	119.6	159.9	-55.7	165.8	173.1	-176.3	-3.4	115.9	K1384 Y1385 Q1386 G1787	K1384-R1789 WeakPolarHBondContact O-CA 3.21Å; Y1385-R1789 VanDerWaalsContact C-N 3.3Å; Y1385-R1789 VanDerWaalsContact CB-N 3.28Å; Y1385-R1789 WeakPolarHBondContact O-CA 3.46Å; Y1385-R1789 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1789 PolarHBondContact O-N 3.38Å; Y1385-R1789 VanDerWaalsContact O-N 3.16Å; Q1386-R1789 VanDerWaalsContact OE1-CG 3.3Å; G1787-R1789 PolarHBondContact O-N 2.89Å
1790	S	42.3	Very low	38.2	Very low	102.6 Å²	102.6	168 Å²	168	72%	0.717	78%	0.784	S	S	*	*				147.6	149.3	110.9	57.9	0	0	0	0	115.1	K1384	K1384-S1790 VanDerWaalsContact CB-O 3.3Å; K1384-S1790 WeakPolarHBondContact CB-O 3.27Å; K1384-S1790 WeakPolarHBondContact CD-O 3.26Å; K1384-S1790 CarbonylContact O-C 3.26Å; K1384-S1790 WeakPolarHBondContact O-CA 3.34Å; K1384-S1790 PolarHBondContact O-N 3.23Å; K1384-S1790 VanDerWaalsContact O-N 3.15Å
1791	K	38.1	Very low	38.2	Very low	192 Å²	192	168 Å²	168	84%	0.835	78%	0.783	S	S	*	*			cis	-143.8	139.3	34.5	-95.7	173.1	179.6	178.7	0	111.7	I1382 E1383 K1384	I1382-K1791 HydrophobicContact CG2-CG 4.04Å; E1383-K1791 VanDerWaalsContact O-CA 3.23Å; E1383-K1791 WeakPolarHBondContact O-CA 2.8Å; E1383-K1791 PolarHBondContact O-N 3.01Å; K1384-K1791 PolarHBondContact O-N 2.9Å
1792	K	39.8	Very low	38.5	Very low	175.6 Å²	175.6	168 Å²	168	76%	0.763	79%	0.786	S	S	*	*			trans	177.5	137.8	159.8	-115.6	-178	175	-143.9	0	113	E1381 E1383	E1381-K1792 WeakPolarHBondContact CB-O 3.48Å; E1381-K1792 CarbonylContact O-C 3.25Å; E1383-K1792 WeakPolarHBondContact CG-O 3.44Å; E1383-K1792 PolarHBondContact OE2-N 3.12Å
1793	E	35.8	Very low	38.4	Very low	121 Å²	121	172.9 Å²	172.9	57%	0.565	79%	0.79	S	S	*	*				92.1	139.7	70.9	-148.9	-178.9	132.1	0	0	114.4	E1381	E1381-E1793 VanDerWaalsContact CD-C 3.45Å; E1381-E1793 WeakPolarHBondContact OE2-CA 3.22Å
1794	R	37.9	Very low	38.2	Very low	194.8 Å²	194.8	170.1 Å²	170.1	74%	0.735	78%	0.784	S	S	*	*				117.9	116.5	125.9	-90.4	176.5	114.6	126.6	-1.6	118.4	E1381	E1381-R1794 VanDerWaalsContact CD-C 3.45Å; E1381-R1794 WeakPolarHBondContact OE1-CA 3.09Å; E1381-R1794 PolarHBondContact OE1-N 3.07Å; E1381-R1794 WeakPolarHBondContact OE2-CA 3.4Å; E1381-R1794 PolarHBondContact OE2-N 3.05Å; E1381-R1794 VanDerWaalsContact OE2-N 3.14Å
1795	R	36.2	Very low	38	Very low	217.6 Å²	217.6	169.3 Å²	169.3	82%	0.821	78%	0.783	S	S	*	*			trans	-15.9	139.1	142.6	-65.9	172.4	172.6	168.9	-5.1	116.2	D1380 E1381	D1380-R1795 VanDerWaalsContact OD2-CA 3.28Å; D1380-R1795 WeakPolarHBondContact OD2-CA 3.39Å; D1380-R1795 PolarHBondContact OD2-N 3.07Å; E1381-R1795 PolarHBondContact OE1-N 2.92Å; E1381-R1795 PolarHBondContact OE2-N 2.68Å
1796	R	39.8	Very low	37.6	Very low	239.6 Å²	239.6	165.4 Å²	165.4	90%	0.904	78%	0.778	S	S	*	*			trans	169.3	122.8	138.1	-88.3	168.3	176.4	-175.4	-1.7	110.8
1797	G	33.9	Very low	37.8	Very low	76.4 Å²	76.4	160.2 Å²	160.2	79%	0.788	77%	0.774	S	S	*	*				136.1	147.1	108.6	0	0	0	0	0	114.7
1798	R	38.9	Very low	37.4	Very low	230.4 Å²	230.4	162.3 Å²	162.3	87%	0.869	78%	0.775	S	S	*	*			trans	130.6	134.9	157.1	-135.6	-175.1	-169.3	-157.3	3.6	113.2
1799	K	35.5	Very low	36.8	Very low	165.2 Å²	165.2	158.5 Å²	158.5	72%	0.718	78%	0.778	S	S	*	*			trans	56.6	148.3	163.2	-74.9	-161.2	165.6	-144.2	0	113.6
1800	E	35.1	Very low	36.6	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	78%	0.775	S	S	*	*				111	131.4	105.3	-76	147.5	-151	0	0	112.1
1801	G	34.5	Very low	36.1	Very low	74 Å²	74	160.6 Å²	160.6	76%	0.763	79%	0.785	S	S	*	*			trans	156.9	151.7	162.4	0	0	0	0	0	111.8
1802	E	39.1	Very low	35.7	Very low	190 Å²	190	159.1 Å²	159.1	89%	0.888	79%	0.785	S	S	*	*			trans	-174.5	157.6	177	-129.3	164.3	-169.7	0	0	111.1
1803	E	35.7	Very low	35.4	Very low	177.8 Å²	177.8	155.8 Å²	155.8	83%	0.831	78%	0.784	S	S	*	*				-135	150.6	-126.2	-102.5	170.7	-179.3	0	0	112.6
1804	D	34.5	Very low	35.6	Very low	134.4 Å²	134.4	160 Å²	160	72%	0.719	80%	0.795	S	S	*	*			trans	113.1	146.1	148.6	-143.5	17.6	0	0	0	117.3	N1806	D1804-N1806 WeakPolarHBondContact OD1-CB 3.17Å; D1804-N1806 PolarHBondContact OD1-N 3.41Å; D1804-N1806 PolarHBondContact OD1-ND2 2.97Å; D1804-N1806 PolarHBondContact OD2-ND2 3.36Å
1805	Q	36.2	Very low	35.5	Very low	157.8 Å²	157.8	157.8 Å²	157.8	74%	0.737	79%	0.793	S	S	*	*			trans	55	117	166.2	-59	-81.1	-11.5	0	0	117.8
1806	N	33.2	Very low	35.4	Very low	139.8 Å²	139.8	153.6 Å²	153.6	75%	0.748	79%	0.786	S	S	*	*			trans	149.6	147.8	142.9	-77.2	-61.5	0	0	0	115.4	D1804	D1804-N1806 WeakPolarHBondContact OD1-CB 3.17Å; D1804-N1806 PolarHBondContact OD1-N 3.41Å; D1804-N1806 PolarHBondContact OD1-ND2 2.97Å; D1804-N1806 PolarHBondContact OD2-ND2 3.36Å
1807	P	40.8	Very low	35.2	Very low	114.4 Å²	114.4	149.1 Å²	149.1	74%	0.743	78%	0.779	S	S	*	*			trans	-116.1	169.1	-165	39.1	-25.5	0	0	0	112.9
1808	P	34.6	Very low	35.4	Very low	112.8 Å²	112.8	152.6 Å²	152.6	73%	0.732	78%	0.78	S	S	*	*				-131.1	161.4	105.6	37.4	-22.9	0	0	0	113.8
1809	C	31.7	Very low	35.3	Very low	122.8 Å²	122.8	148.8 Å²	148.8	83%	0.83	77%	0.772	S	S	*	*			trans	150.7	156.5	137.2	-75.5	0	0	0	0	113
1810	P	35	Very low	35.4	Very low	118.4 Å²	118.4	149.3 Å²	149.3	77%	0.769	77%	0.774	S	S	*	*			trans	-115.6	149.9	-164.4	35.8	-26.8	0	0	0	115.1
1811	R	31.7	Very low	35.2	Very low	247.6 Å²	247.6	144.4 Å²	144.4	93%	0.934	77%	0.77	S	S	*	*			trans	-135.1	155.3	153.9	-94.8	-178.2	174.5	138.9	0.4	111.8
1812	L	29.9	Very low	35.3	Very low	159.2 Å²	159.2	146.5 Å²	146.5	83%	0.834	77%	0.77	S	S	*	*			trans	-108.7	147.9	-175.9	-67.3	169.3	0	0	0	113.3
1813	S	34.1	Very low	35	Very low	106.6 Å²	106.6	146.3 Å²	146.3	75%	0.745	77%	0.769	S	S	*	*			trans	62.5	113.7	141.1	44.1	0	0	0	0	117.7	E1815	S1813-E1815 WeakPolarHBondContact CA-OE1 3.23Å; S1813-E1815 WeakPolarHBondContact CA-OE2 3.03Å; S1813-E1815 PolarHBondContact N-OE1 2.68Å; S1813-E1815 PolarHBondContact O-N 2.92Å
1814	R	39.4	Very low	35	Very low	209.6 Å²	209.6	143.6 Å²	143.6	79%	0.791	77%	0.765	S	S	*	*			trans	133.8	119.2	141.6	-148.9	166.3	-173.4	160.9	2.1	114	L1816	R1814-L1816 HydrophobicContact CG-CD1 4.35Å; R1814-L1816 HydrophobicContact CG-CG 4.32Å
1815	E	36.8	Very low	34.9	Very low	148.2 Å²	148.2	143.8 Å²	143.8	69%	0.693	77%	0.765	S	S	*	*			trans	-31.5	140.4	149.2	-61.8	159.7	159.1	0	0	113.5	S1813	S1813-E1815 WeakPolarHBondContact CA-OE1 3.23Å; S1813-E1815 WeakPolarHBondContact CA-OE2 3.03Å; S1813-E1815 PolarHBondContact N-OE1 2.68Å; S1813-E1815 PolarHBondContact O-N 2.92Å
1816	L	32.5	Very low	34.8	Very low	129 Å²	129	143.8 Å²	143.8	68%	0.675	77%	0.765	S	S	*	*			cis	-144.2	154.1	11.4	-104.8	175.7	0	0	0	108.7	R1814 E1819	R1814-L1816 HydrophobicContact CG-CD1 4.35Å; R1814-L1816 HydrophobicContact CG-CG 4.32Å; L1816-E1819 HydrophobicContact CD2-CG 4.11Å; L1816-E1819 WeakPolarHBondContact CD2-OE2 3.1Å
1817	L	36.8	Very low	34.9	Very low	145.6 Å²	145.6	143.7 Å²	143.7	76%	0.762	76%	0.764	S	S	*	*			trans	54	121.2	164.4	-70.4	163.8	0	0	0	113.2
1818	D	38.2	Very low	34.4	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	76%	0.76	S	S	*	*				-133.1	119.1	54.2	-134.5	-7.7	0	0	0	112.6	K1820	D1818-K1820 PolarHBondContact O-NZ 3.46Å; D1818-K1820 IonicContact OD1-NZ 3.43Å; D1818-K1820 PolarHBondContact OD1-NZ 3.26Å; D1818-K1820 IonicContact OD2-NZ 2.58Å; D1818-K1820 PolarHBondContact OD2-NZ 3.02Å
1819	E	35.3	Very low	34.4	Very low	150.6 Å²	150.6	144.3 Å²	144.3	70%	0.704	76%	0.762	S	S	*	*			trans	-106	125.3	166.5	-100.1	-166.7	167.5	0	0	110.5	L1816	L1816-E1819 HydrophobicContact CD2-CG 4.11Å; L1816-E1819 WeakPolarHBondContact CD2-OE2 3.1Å
1820	K	38.7	Very low	34.6	Very low	175.2 Å²	175.2	145.2 Å²	145.2	76%	0.762	76%	0.758	S	S	*	*			trans	165.5	122.1	132.9	-66.2	-65.5	162.9	-115.9	0	110.7	D1818	D1818-K1820 PolarHBondContact O-NZ 3.46Å; D1818-K1820 IonicContact OD1-NZ 3.43Å; D1818-K1820 PolarHBondContact OD1-NZ 3.26Å; D1818-K1820 IonicContact OD2-NZ 2.58Å; D1818-K1820 PolarHBondContact OD2-NZ 3.02Å
1821	G	30.8	Very low	34.6	Very low	68.8 Å²	68.8	150.7 Å²	150.7	71%	0.709	76%	0.764	S	S	*	*			cis	146.4	141.7	35.4	0	0	0	0	0	111.4
1822	P	36.8	Very low	34.4	Very low	118.2 Å²	118.2	142.6 Å²	142.6	77%	0.768	74%	0.744	S	S	*	*			trans	-105.7	150.9	173.6	27.8	-15.5	0	0	0	113.3
1823	E	32.2	Very low	34.4	Very low	186.2 Å²	186.2	143.5 Å²	143.5	87%	0.87	74%	0.738	S	S	*	*			trans	-78.2	137	155	-68.1	166.6	-178.4	0	0	113.3
1824	V	35.6	Very low	34.3	Very low	120.4 Å²	120.4	142.6 Å²	142.6	73%	0.73	73%	0.731	S	S	*	*				-166.8	137.7	59.8	-178.2	0	0	0	0	111.2	Q1826	V1824-Q1826 HydrophobicContact CG1-CB 4.3Å; V1824-Q1826 WeakPolarHBondContact CG1-O 3.34Å
1825	L	32.5	Very low	34	Very low	138.8 Å²	138.8	138.1 Å²	138.1	73%	0.727	73%	0.728	S	S	*	*			trans	65.5	118	155.6	-83.8	169.2	0	0	0	117.4	D1827	L1825-D1827 WeakPolarHBondContact CD2-OD1 3.44Å; L1825-D1827 WeakPolarHBondContact CD2-OD2 3.34Å; L1825-D1827 PolarHBondContact O-N 3.28Å
1826	Q	34.8	Very low	33.7	Very low	158.4 Å²	158.4	136.8 Å²	136.8	74%	0.74	73%	0.732	S	S	*	*				5.3	129.3	93.3	-73.5	168	-14.7	0	0	115.9	V1824	V1824-Q1826 HydrophobicContact CG1-CB 4.3Å; V1824-Q1826 WeakPolarHBondContact CG1-O 3.34Å
1827	D	35.1	Very low	33.6	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	74%	0.736	S	S	*	*				84.9	121.2	70.2	-80.8	-20.3	0	0	0	114.2	L1825 L1829	L1825-D1827 WeakPolarHBondContact CD2-OD1 3.44Å; L1825-D1827 WeakPolarHBondContact CD2-OD2 3.34Å; L1825-D1827 PolarHBondContact O-N 3.28Å; D1827-L1829 VanDerWaalsContact C-N 3.29Å; D1827-L1829 PolarHBondContact O-N 2.93Å
1828	S	31	Very low	33.2	Very low	92.4 Å²	92.4	132.2 Å²	132.2	65%	0.646	73%	0.733	S	S	*	*			trans	-134.9	126	149.5	46.5	0	0	0	0	114.7
1829	L	34	Very low	32.7	Very low	148.2 Å²	148.2	131 Å²	131	78%	0.776	74%	0.735	S	S	*	*			trans	85.3	121.6	151.8	-63.9	175.3	0	0	0	118.7	D1827 R1831	D1827-L1829 VanDerWaalsContact C-N 3.29Å; D1827-L1829 PolarHBondContact O-N 2.93Å; L1829-R1831 PolarHBondContact O-N 3.17Å
1830	D	34.8	Very low	32.4	Very low	140.2 Å²	140.2	130.6 Å²	130.6	75%	0.75	74%	0.737	S	S	*	*			trans	51.1	115.2	142.4	-73.3	-35.7	0	0	0	118.6	K2036	D1830-K2036 IonicContact OD1-NZ 2.76Å
1831	R	34.7	Very low	32.1	Very low	234.2 Å²	234.2	130.3 Å²	130.3	88%	0.884	74%	0.738	S	S	*	*			trans	-139.2	119.8	142.3	-140.5	147.2	-102	-133.6	-1.3	112.5	L1829	L1829-R1831 PolarHBondContact O-N 3.17Å
1832	C	28.5	Very low	32.1	Very low	78 Å²	78	134.3 Å²	134.3	53%	0.527	74%	0.743	S	S	.	*			trans	150.1	128.4	155.3	-68.9	0	0	0	0	115.4	L1368 K2036 E2037	L1368-C1832 HydrophobicContact CD2-CB 4.46Å; L1368-C1832 VanDerWaalsContact CD2-SG 3.52Å; C1832-K2036 HydrophobicContact CB-CD 4.01Å; C1832-K2036 WeakPolarHBondContact SG-CE 3.38Å; C1832-K2036 PolarHBondContact SG-NZ 2.87Å; C1832-E2037 HydrophobicContact CB-CB 4.48Å; C1832-E2037 VanDerWaalsContact CB-CD 3.42Å; C1832-E2037 WeakPolarHBondContact CB-OE1 3.06Å; C1832-E2037 VanDerWaalsContact CB-OE2 3.31Å; C1832-E2037 WeakPolarHBondContact CB-OE2 2.82Å; C1832-E2037 PolarHBondContact SG-OE2 2.91Å
1833	Y	30.4	Very low	31.9	Very low	178.2 Å²	178.2	134 Å²	134	70%	0.699	74%	0.739	S	S	*	*			trans	122	136.6	147.3	-65.4	-57.6	0	0	0	115.4	L1368 E1369 Q1370 R2039	L1368-Y1833 HydrophobicContact CD2-CE1 4.06Å; E1369-Y1833 HydrophobicContact CB-CD1 3.74Å; E1369-Y1833 HydrophobicContact CB-CE1 4.49Å; E1369-Y1833 HydrophobicContact CG-CD1 3.96Å; E1369-Y1833 PolarHBondContact OE1-N 2.75Å; E1369-Y1833 VanDerWaalsContact OE2-CA 3.26Å; E1369-Y1833 WeakPolarHBondContact OE2-CA 3.43Å; E1369-Y1833 PolarHBondContact OE2-N 3.18Å; Q1370-Y1833 HydrophobicContact CB-CD1 4.49Å; Q1370-Y1833 HydrophobicContact CB-CD2 4.39Å; Q1370-Y1833 HydrophobicContact CB-CE1 4.07Å; Q1370-Y1833 HydrophobicContact CB-CE2 3.91Å; Q1370-Y1833 HydrophobicContact CG-CE1 4.02Å; Q1370-Y1833 HydrophobicContact CG-CE2 4.27Å; Q1370-Y1833 WeakPolarHBondContact CG-OH 3.34Å; Q1370-Y1833 VanDerWaalsContact OE1-CZ 3.26Å; Q1370-Y1833 PolarHBondContact OE1-OH 2.86Å; Y1833-R2039 HydrophobicContact CD1-CG 4.11Å; Y1833-R2039 HydrophobicContact CE1-CG 4.02Å; Y1833-R2039 VanDerWaalsContact CE2-NH2 3.25Å; Y1833-R2039 PolarHBondContact OH-NH2 3.27Å; Y1833-R2039 VanDerWaalsContact OH-NH2 3.09Å
1834	S	31.2	Very low	31.8	Very low	87.8 Å²	87.8	131.6 Å²	131.6	61%	0.614	73%	0.732	S	S	*	*				-167.8	128.6	108.4	-59.7	0	0	0	0	114	E1369 Q1370 K2036	E1369-S1834 VanDerWaalsContact OE2-CA 3.3Å; E1369-S1834 WeakPolarHBondContact OE2-CA 3.2Å; E1369-S1834 PolarHBondContact OE2-N 3.13Å; Q1370-S1834 WeakPolarHBondContact O-CB 3.46Å; Q1370-S1834 PolarHBondContact O-OG 2.96Å; S1834-K2036 VanDerWaalsContact CB-O 3.24Å; S1834-K2036 WeakPolarHBondContact CB-O 3.19Å; S1834-K2036 PolarHBondContact OG-O 3.47Å
1835	T	33.8	Very low	31.5	Very low	115.6 Å²	115.6	131.1 Å²	131.1	71%	0.709	73%	0.734	S	S	*	*				-84.4	130.8	126.2	-29.8	0	0	0	0	112.2	E1369 S1837	E1369-T1835 PolarHBondContact N-OG1 2.65Å; E1369-T1835 PolarHBondContact O-OG1 2.76Å; T1835-S1837 PolarHBondContact O-N 2.97Å
1836	P	30.6	Very low	31.5	Very low	119.6 Å²	119.6	130.1 Å²	130.1	78%	0.777	74%	0.737	S	S	*	*			trans	-111	132	130.8	24.8	-13.5	0	0	0	112.4
1837	S	29	Very low	31.4	Very low	109.6 Å²	109.6	130.2 Å²	130.2	77%	0.766	74%	0.738	S	S	*	*			trans	-144.8	136.8	159.9	57.9	0	0	0	0	112.2	T1835	T1835-S1837 PolarHBondContact O-N 2.97Å
1838	G	29	Very low	31.3	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	73%	0.733	S	S	*	*			cis	122.3	142.7	15.3	0	0	0	0	0	111.8
1839	C	28.3	Very low	31.1	Very low	123.6 Å²	123.6	132.9 Å²	132.9	84%	0.835	74%	0.737	S	S	*	*			trans	-114.4	140.1	164.1	-61.3	0	0	0	0	111.8
1840	L	29.2	Very low	31	Very low	143.4 Å²	143.4	135.6 Å²	135.6	75%	0.751	74%	0.737	S	S	*	*			trans	99	122	131.9	-93.5	167.2	0	0	0	113.5	L1842	L1840-L1842 HydrophobicContact CD2-CD2 4.01Å; L1840-L1842 HydrophobicContact CD2-CG 4.02Å
1841	E	31.4	Very low	30.9	Very low	168.4 Å²	168.4	133.9 Å²	133.9	79%	0.787	74%	0.736	S	S	*	*			trans	15.2	126.8	139.9	-82.5	171.4	174.2	0	0	115.8	T1843	E1841-T1843 PolarHBondContact O-N 3.22Å
1842	L	31.9	Very low	30.8	Very low	152.2 Å²	152.2	126.5 Å²	126.5	80%	0.797	73%	0.725	S	S	*	*			trans	-86.7	135.4	153.7	-66.1	172.4	0	0	0	110.5	L1840	L1840-L1842 HydrophobicContact CD2-CD2 4.01Å; L1840-L1842 HydrophobicContact CD2-CG 4.02Å
1843	T	32.5	Very low	30.8	Very low	113.2 Å²	113.2	131.4 Å²	131.4	69%	0.694	74%	0.738	S	S	*	*				160.7	127.8	108.5	-49.2	0	0	0	0	112	E1841 S1845	E1841-T1843 PolarHBondContact O-N 3.22Å; T1843-S1845 PolarHBondContact O-N 2.7Å
1844	D	30	Very low	30.8	Very low	135.2 Å²	135.2	132.5 Å²	132.5	72%	0.723	74%	0.742	S	S	*	*			trans	21.7	118.9	161.1	-56.8	-45.5	0	0	0	118.9	C1846	D1844-C1846 VanDerWaalsContact C-N 3.3Å; D1844-C1846 WeakPolarHBondContact O-CA 3.44Å; D1844-C1846 PolarHBondContact O-N 2.77Å; D1844-C1846 PolarHBondContact O-SG 3.36Å
1845	S	29.3	Very low	30.8	Very low	109.8 Å²	109.8	135.1 Å²	135.1	77%	0.768	75%	0.748	S	S	*	*				-140.5	127.9	122.8	57.4	0	0	0	0	114.9	T1843 Q1847	T1843-S1845 PolarHBondContact O-N 2.7Å; S1845-Q1847 VanDerWaalsContact C-N 3.28Å; S1845-Q1847 WeakPolarHBondContact O-CG 3.46Å; S1845-Q1847 PolarHBondContact O-N 3.14Å
1846	C	32.3	Very low	30.7	Very low	117.8 Å²	117.8	136.5 Å²	136.5	80%	0.796	75%	0.75	S	S	*	*			trans	11.4	85.2	163.9	-59.5	0	0	0	0	116.8	D1844	D1844-C1846 VanDerWaalsContact C-N 3.3Å; D1844-C1846 WeakPolarHBondContact O-CA 3.44Å; D1844-C1846 PolarHBondContact O-N 2.77Å; D1844-C1846 PolarHBondContact O-SG 3.36Å
1847	Q	31.7	Very low	30.9	Very low	161.4 Å²	161.4	138.3 Å²	138.3	75%	0.754	75%	0.748	S	S	*	*			trans	-68.7	166.6	141.6	-65	-67.6	-26.3	0	0	112.6	S1845	S1845-Q1847 VanDerWaalsContact C-N 3.28Å; S1845-Q1847 WeakPolarHBondContact O-CG 3.46Å; S1845-Q1847 PolarHBondContact O-N 3.14Å
1848	P	34.5	Very low	31.1	Very low	96.2 Å²	96.2	140.6 Å²	140.6	63%	0.625	75%	0.747	S	S	*	*				-123.8	-157.5	-59.2	24.1	-4.3	0	0	0	113.6	F1759	F1759-P1848 VanDerWaalsContact O-CG 3.23Å; F1759-P1848 WeakPolarHBondContact O-CG 2.99Å
1849	Y	27	Very low	31.4	Very low	188.8 Å²	188.8	145.1 Å²	145.1	74%	0.74	75%	0.749	S	S	*	*			trans	-75.8	128.3	147.4	-119.6	-113.9	0	0	0	112.9	Y1760	Y1760-Y1849 HydrophobicContact CD2-CD2 4.45Å; Y1760-Y1849 AromaticContact CD2-CE2 3.64Å; Y1760-Y1849 HydrophobicContact CD2-CE2 3.64Å; Y1760-Y1849 AromaticContact CE2-CE2 3.65Å; Y1760-Y1849 HydrophobicContact CE2-CE2 3.65Å; Y1760-Y1849 HydrophobicContact CG-CE2 4.48Å
1850	R	31.1	Very low	31.5	Very low	206 Å²	206	144.5 Å²	144.5	78%	0.777	75%	0.745	S	S	*	*			cis	-152.3	154.4	43.7	-113.7	-167.2	-176.4	-153	1.5	110.4
1851	S	32.4	Very low	31.7	Very low	103.2 Å²	103.2	143.5 Å²	143.5	72%	0.722	75%	0.745	S	S	*	*				-74.4	145.5	123.7	62.6	0	0	0	0	114.8
1852	A	31.7	Very low	31.7	Very low	78.8 Å²	78.8	138.4 Å²	138.4	65%	0.651	74%	0.737	S	S	*	*				104.1	122.1	128.1	0	0	0	0	0	114.9
1853	F	29.3	Very low	31.9	Very low	181.2 Å²	181.2	138.1 Å²	138.1	80%	0.795	74%	0.736	S	S	*	*				101.9	118.6	128.1	-81.4	-68.6	0	0	0	114.8
1854	Y	30.7	Very low	32	Very low	202 Å²	202	136.7 Å²	136.7	79%	0.792	74%	0.736	S	S	*	*				-155.6	140.3	108.4	-90.8	-65.5	0	0	0	110.5	L1856	Y1854-L1856 VanDerWaalsContact C-N 3.34Å; Y1854-L1856 PolarHBondContact O-N 3.23Å
1855	I	31.2	Very low	32.3	Very low	142.6 Å²	142.6	135.3 Å²	135.3	73%	0.731	73%	0.732	S	S	*	*				-71	124.9	97.3	-76	168.7	0	0	0	112
1856	L	31.8	Very low	32.6	Very low	144.4 Å²	144.4	136.6 Å²	136.6	76%	0.756	73%	0.73	S	S	*	*			trans	107.9	124	134.9	-126.5	105.5	0	0	0	115.3	Y1739 Y1854	Y1739-L1856 HydrophobicContact CE1-CB 3.82Å; Y1739-L1856 VanDerWaalsContact OH-C 3.27Å; Y1739-L1856 PolarHBondContact OH-O 3.38Å; Y1854-L1856 VanDerWaalsContact C-N 3.34Å; Y1854-L1856 PolarHBondContact O-N 3.23Å
1857	E	34.6	Very low	32.7	Very low	156.6 Å²	156.6	137.8 Å²	137.8	73%	0.732	73%	0.726	S	S	*	*			trans	-148.5	122.8	157.6	-147	-171.2	177.6	0	0	110.7	Y1739 Q1859	Y1739-E1857 PolarHBondContact OH-N 2.62Å; E1857-Q1859 HydrophobicContact CG-CG 4.15Å; E1857-Q1859 PolarHBondContact OE1-N 3.47Å; E1857-Q1859 PolarHBondContact OE1-NE2 3.21Å
1858	Q	33.4	Very low	33.1	Very low	158.2 Å²	158.2	136.5 Å²	136.5	74%	0.739	72%	0.724	S	S	*	*			trans	144.2	108.3	145.5	-77.6	-85	74.3	0	0	111.8	C1860	Q1858-C1860 PolarHBondContact O-N 3.05Å; Q1858-C1860 VanDerWaalsContact O-N 3.16Å
1859	Q	34.1	Very low	33.4	Very low	163.6 Å²	163.6	139.9 Å²	139.9	76%	0.764	73%	0.731	S	S	*	*			trans	54.5	108.1	132.8	-71.9	179.6	-24.2	0	0	114.4	E1857 V1861	E1857-Q1859 HydrophobicContact CG-CG 4.15Å; E1857-Q1859 PolarHBondContact OE1-N 3.47Å; E1857-Q1859 PolarHBondContact OE1-NE2 3.21Å; Q1859-V1861 PolarHBondContact O-N 3.31Å
1860	C	31.9	Very low	34	Very low	110.8 Å²	110.8	137.8 Å²	137.8	75%	0.749	73%	0.732	S	S	*	*				-142.3	131.2	128.1	-80.6	0	0	0	0	114	Q1858 G1862	Q1858-C1860 PolarHBondContact O-N 3.05Å; Q1858-C1860 VanDerWaalsContact O-N 3.16Å; C1860-G1862 PolarHBondContact O-N 3.47Å
1861	V	32.7	Very low	34.2	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	73%	0.727	S	S	*	*			trans	47.7	118	141.7	-172	0	0	0	0	115.7	D1391 Q1392 D1393 Q1859 L1863	D1391-V1861 HydrophobicContact CB-CG2 4.3Å; Q1392-V1861 WeakPolarHBondContact O-CG1 3.26Å; Q1392-V1861 WeakPolarHBondContact O-CG2 3.48Å; D1393-V1861 WeakPolarHBondContact O-CG1 3.23Å; Q1859-V1861 PolarHBondContact O-N 3.31Å; V1861-L1863 VanDerWaalsContact C-N 3.35Å; V1861-L1863 HydrophobicContact CG1-CG 4.45Å; V1861-L1863 PolarHBondContact O-N 3.18Å
1862	G	31.8	Very low	34.4	Very low	61.6 Å²	61.6	136.8 Å²	136.8	64%	0.635	72%	0.722	S	S	*	*			trans	-125.9	116.5	168.7	0	0	0	0	0	114	C1860 A1864	C1860-G1862 PolarHBondContact O-N 3.47Å; G1862-A1864 PolarHBondContact O-N 2.99Å
1863	L	36.1	Very low	34.4	Very low	146.6 Å²	146.6	142.1 Å²	142.1	77%	0.768	73%	0.727	S	S	*	*			trans	-96.6	150.6	163.7	-83.3	175.7	0	0	0	111.7	D1391 P1394 V1861 V1865	D1391-L1863 WeakPolarHBondContact O-CD2 3.19Å; D1391-L1863 WeakPolarHBondContact O-CG 3.46Å; P1394-L1863 HydrophobicContact CB-CD1 4.43Å; P1394-L1863 HydrophobicContact CG-CD1 4.25Å; V1861-L1863 VanDerWaalsContact C-N 3.35Å; V1861-L1863 HydrophobicContact CG1-CG 4.45Å; V1861-L1863 PolarHBondContact O-N 3.18Å; L1863-V1865 HydrophobicContact CB-CG2 4.17Å; L1863-V1865 HydrophobicContact CD2-CG2 4.25Å; L1863-V1865 PolarHBondContact O-N 3.03Å
1864	A	34.9	Very low	34.7	Very low	82.8 Å²	82.8	141.1 Å²	141.1	68%	0.684	72%	0.724	S	S	*	*			trans	-119.5	151.2	151.7	0	0	0	0	0	111	V1388 G1862 D1866	V1388-A1864 VanDerWaalsContact CG2-O 3.26Å; V1388-A1864 WeakPolarHBondContact CG2-O 3.34Å; G1862-A1864 PolarHBondContact O-N 2.99Å; A1864-D1866 PolarHBondContact O-N 3.06Å
1865	V	35.2	Very low	34.8	Very low	106.6 Å²	106.6	138.6 Å²	138.6	65%	0.646	72%	0.72	S	S	*	*			trans	56.2	127	173.6	177	0	0	0	0	110.5	Q1386 E1387 V1388 L1863 M1867	Q1386-V1865 HydrophobicContact CG-CG1 3.8Å; E1387-V1865 HydrophobicContact CB-CB 3.84Å; E1387-V1865 HydrophobicContact CB-CG1 3.54Å; E1387-V1865 HydrophobicContact CG-CB 3.91Å; E1387-V1865 HydrophobicContact CG-CG1 3.94Å; V1388-V1865 WeakPolarHBondContact CB-O 3.01Å; V1388-V1865 WeakPolarHBondContact CG2-O 3.17Å; L1863-V1865 HydrophobicContact CB-CG2 4.17Å; L1863-V1865 HydrophobicContact CD2-CG2 4.25Å; L1863-V1865 PolarHBondContact O-N 3.03Å; V1865-M1867 HydrophobicContact CG1-CB 3.82Å; V1865-M1867 HydrophobicContact CG1-CG 3.63Å; V1865-M1867 HydrophobicContact CG1-SD 3.9Å
1866	D	37.1	Very low	35	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	72%	0.722	S	S	*	*				-125.2	157	59.1	-125.9	-22.7	0	0	0	113.9	Q1386 A1864	Q1386-D1866 HydrophobicContact CG-CB 3.96Å; Q1386-D1866 PolarHBondContact NE2-OD2 2.74Å; A1864-D1866 PolarHBondContact O-N 3.06Å
1867	M	33.3	Very low	35.2	Very low	143.4 Å²	143.4	138.7 Å²	138.7	71%	0.706	72%	0.722	S	S	*	*			trans	-124	130.5	166.8	-78.2	178.7	45.2	0	0	116.1	V1865 E1869	V1865-M1867 HydrophobicContact CG1-CB 3.82Å; V1865-M1867 HydrophobicContact CG1-CG 3.63Å; V1865-M1867 HydrophobicContact CG1-SD 3.9Å; M1867-E1869 WeakPolarHBondContact O-CG 3.18Å; M1867-E1869 PolarHBondContact O-N 3.09Å
1868	D	41.2	Very low	35.3	Very low	134.4 Å²	134.4	139 Å²	139	72%	0.719	72%	0.723	S	S	*	*			trans	86	113.1	138.7	-67.9	-15.8	0	0	0	117.1
1869	E	39.5	Very low	35.3	Very low	166.6 Å²	166.6	138.1 Å²	138.1	78%	0.779	72%	0.723	S	S	*	*				78.8	125.2	119.6	-78	-146.2	138.8	0	0	117.3	M1867	M1867-E1869 WeakPolarHBondContact O-CG 3.18Å; M1867-E1869 PolarHBondContact O-N 3.09Å
1870	I	40.3	Very low	35.5	Very low	145.2 Å²	145.2	138.2 Å²	138.2	75%	0.745	72%	0.724	S	S	*	*			trans	152.8	119.1	133.1	-30.3	155.5	0	0	0	112.8
1871	E	35.8	Very low	35.5	Very low	145.6 Å²	145.6	139.2 Å²	139.2	68%	0.68	72%	0.722	S	S	*	*				72	148.3	120.4	-98.5	-154.8	155.2	0	0	117.5
1872	K	35.2	Very low	35.6	Very low	143 Å²	143	138.5 Å²	138.5	62%	0.622	72%	0.72	S	S	*	*			trans	102.7	113.5	151.3	-81.3	-174.3	-174	122.4	0	118.7
1873	Y	32.8	Very low	35.7	Very low	189.8 Å²	189.8	140.6 Å²	140.6	74%	0.744	73%	0.725	S	S	*	*			trans	56.5	131.8	133.1	-61.6	-68.4	0	0	0	118.7	R1700	R1700-Y1873 VanDerWaalsContact NH1-CD1 3.33Å
1874	Q	34.7	Very low	35.3	Very low	160.6 Å²	160.6	138.6 Å²	138.6	75%	0.75	72%	0.722	S	S	*	*				-150.5	135.6	91	-159.8	171.8	-3.1	0	0	109.7
1875	E	33.2	Very low	35.3	Very low	149 Å²	149	140.2 Å²	140.2	70%	0.696	73%	0.726	S	S	*	*			trans	103.3	151.6	141.7	-97.8	151.2	-146.6	0	0	114.3
1876	V	36.1	Very low	35.1	Very low	126.2 Å²	126.2	144.6 Å²	144.6	77%	0.765	73%	0.731	S	S	*	*			trans	141	120.3	136.4	-176.2	0	0	0	0	112.6
1877	E	36.3	Very low	34.7	Very low	162.4 Å²	162.4	144.6 Å²	144.6	76%	0.759	73%	0.73	S	S	*	*				-169.4	150.1	89.9	-94.3	174.4	154.6	0	0	114.9
1878	E	35.9	Very low	34.6	Very low	163.6 Å²	163.6	142.4 Å²	142.4	76%	0.764	73%	0.728	S	S	*	*			trans	74.9	108.5	134.9	-77	-177.7	152.5	0	0	117.7
1879	D	33.5	Very low	34.6	Very low	138.4 Å²	138.4	144.2 Å²	144.2	74%	0.74	73%	0.725	S	S	*	*				70.7	133.8	106.3	-82.5	0.1	0	0	0	119.9
1880	Q	37	Very low	34.4	Very low	166.4 Å²	166.4	142.6 Å²	142.6	78%	0.778	72%	0.718	S	S	*	*			trans	119.1	122.4	139.7	-68.7	-102.6	19.4	0	0	115.2
1881	D	33.1	Very low	34.2	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	72%	0.716	S	S	*	*			trans	-57.7	155.1	148.8	-116.4	-10.4	0	0	0	115.6	S1883 C1884	D1881-S1883 PolarHBondContact O-N 3.2Å; D1881-S1883 WeakPolarHBondContact OD1-CA 3.42Å; D1881-S1883 PolarHBondContact OD1-N 2.71Å; D1881-S1883 WeakPolarHBondContact OD2-CA 3.42Å; D1881-S1883 WeakPolarHBondContact OD2-CB 3.5Å; D1881-S1883 PolarHBondContact OD2-N 3.23Å; D1881-C1884 PolarHBondContact OD1-SG 2.94Å
1882	P	34	Very low	34.1	Very low	108.4 Å²	108.4	140.6 Å²	140.6	70%	0.704	71%	0.712	S	S	*	*			trans	-103.3	113.2	172.9	22.2	-14	0	0	0	115.9	R1886	P1882-R1886 PolarHBondContact O-NH2 3.22Å
1883	S	34.2	Very low	34.3	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	71%	0.708	S	S	*	*			trans	-169.7	124.6	147	13.1	0	0	0	0	113.6	D1881 R1886	D1881-S1883 PolarHBondContact O-N 3.2Å; D1881-S1883 WeakPolarHBondContact OD1-CA 3.42Å; D1881-S1883 PolarHBondContact OD1-N 2.71Å; D1881-S1883 WeakPolarHBondContact OD2-CA 3.42Å; D1881-S1883 WeakPolarHBondContact OD2-CB 3.5Å; D1881-S1883 PolarHBondContact OD2-N 3.23Å; S1883-R1886 PolarHBondContact O-NE 3.16Å; S1883-R1886 PolarHBondContact O-NH2 2.99Å
1884	C	27.2	Very low	34.5	Very low	105.4 Å²	105.4	136.2 Å²	136.2	71%	0.712	70%	0.703	S	S	*	*			trans	32.3	146	166.6	-55.9	0	0	0	0	116.3	D1881 R1886	D1881-C1884 PolarHBondContact OD1-SG 2.94Å; C1884-R1886 WeakPolarHBondContact O-CD 3.46Å; C1884-R1886 VanDerWaalsContact O-CG 3.26Å; C1884-R1886 WeakPolarHBondContact O-CG 3.23Å; C1884-R1886 PolarHBondContact O-N 3.4Å; C1884-R1886 VanDerWaalsContact O-N 3.11Å; C1884-R1886 PolarHBondContact O-NE 3.31Å
1885	P	35.7	Very low	34.7	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	70%	0.695	S	S	*	*			trans	-102.5	152.3	-136.4	24.5	-13.8	0	0	0	113	L1887	P1885-L1887 PolarHBondContact O-N 3.29Å
1886	R	30.8	Very low	34.6	Very low	198.6 Å²	198.6	134.7 Å²	134.7	75%	0.749	69%	0.694	S	S	*	*			trans	-75.1	113.1	171.1	-74.6	166.7	170.6	170.3	-1.9	114.9	P1882 S1883 C1884 S2301	P1882-R1886 PolarHBondContact O-NH2 3.22Å; S1883-R1886 PolarHBondContact O-NE 3.16Å; S1883-R1886 PolarHBondContact O-NH2 2.99Å; C1884-R1886 WeakPolarHBondContact O-CD 3.46Å; C1884-R1886 VanDerWaalsContact O-CG 3.26Å; C1884-R1886 WeakPolarHBondContact O-CG 3.23Å; C1884-R1886 PolarHBondContact O-N 3.4Å; C1884-R1886 VanDerWaalsContact O-N 3.11Å; C1884-R1886 PolarHBondContact O-NE 3.31Å; R1886-S2301 PolarHBondContact N-OG 2.8Å
1887	L	28.4	Very low	34.7	Very low	135.2 Å²	135.2	132.9 Å²	132.9	71%	0.708	69%	0.686	S	S	*	*			trans	24.5	145.7	148.6	-59.4	173.2	0	0	0	117.9	P1885 S2301	P1885-L1887 PolarHBondContact O-N 3.29Å; L1887-S2301 PolarHBondContact N-OG 3.49Å
1888	S	31.9	Very low	34.6	Very low	97.2 Å²	97.2	133 Å²	133	68%	0.68	69%	0.686	S	S	*	*			trans	33.6	133.2	159.3	63.8	0	0	0	0	116.6	F2013	S1888-F2013 WeakPolarHBondContact O-CD1 3.11Å; S1888-F2013 WeakPolarHBondContact O-CE1 3.4Å
1889	R	40.3	Very low	34.5	Very low	172.8 Å²	172.8	130.9 Å²	130.9	65%	0.652	68%	0.684	S	S	*	*				-145.1	131.7	125.3	-159.9	161.3	-176.2	153.7	1	111.3	L1891 F2013	R1889-L1891 PolarHBondContact O-N 2.68Å; R1889-F2013 HydrophobicContact CB-CB 4.35Å; R1889-F2013 HydrophobicContact CB-CD1 3.62Å; R1889-F2013 HydrophobicContact CB-CD2 3.9Å; R1889-F2013 HydrophobicContact CB-CE1 3.66Å; R1889-F2013 HydrophobicContact CB-CE2 3.97Å; R1889-F2013 HydrophobicContact CB-CG 3.72Å; R1889-F2013 HydrophobicContact CB-CZ 3.84Å; R1889-F2013 VanDerWaalsContact CD-CD2 3.47Å; R1889-F2013 HydrophobicContact CG-CB 4.36Å; R1889-F2013 HydrophobicContact CG-CD1 4.27Å; R1889-F2013 HydrophobicContact CG-CD2 3.61Å; R1889-F2013 HydrophobicContact CG-CE1 4.42Å; R1889-F2013 HydrophobicContact CG-CE2 3.83Å; R1889-F2013 HydrophobicContact CG-CG 3.84Å; R1889-F2013 HydrophobicContact CG-CZ 4.22Å
1890	E	35.5	Very low	34.5	Very low	133.6 Å²	133.6	131.1 Å²	131.1	62%	0.624	68%	0.684	S	S	*	*			trans	-47.8	131.5	148.9	-55.7	156.2	131.7	0	0	113.9	L1892 S2014 L2015	E1890-L1892 HydrophobicContact CB-CB 4.22Å; E1890-S2014 VanDerWaalsContact OE2-CA 3.23Å; E1890-S2014 WeakPolarHBondContact OE2-CA 3.04Å; E1890-S2014 PolarHBondContact OE2-N 3.11Å; E1890-L2015 HydrophobicContact CG-CG 4.24Å; E1890-L2015 WeakPolarHBondContact OE1-CA 3.22Å; E1890-L2015 WeakPolarHBondContact OE1-CG 3.31Å; E1890-L2015 PolarHBondContact OE1-N 2.89Å
1891	L	35.6	Very low	34.6	Very low	136 Å²	136	130.9 Å²	130.9	71%	0.712	68%	0.683	S	S	*	*				-133.6	127.2	115.1	-72.1	175.3	0	0	0	107.2	E1579 V1580 R1889 D1893	E1579-L1891 WeakPolarHBondContact CA-O 3.36Å; E1579-L1891 PolarHBondContact N-O 2.89Å; V1580-L1891 PolarHBondContact N-O 2.89Å; R1889-L1891 PolarHBondContact O-N 2.68Å; L1891-D1893 VanDerWaalsContact C-N 3.33Å
1892	L	35.8	Very low	34.6	Very low	112.6 Å²	112.6	131.2 Å²	131.2	59%	0.59	69%	0.685	S	S	*	*				65.3	89.2	73.1	-128.8	177.7	0	0	0	116.3	E1579 V1580 E1890 E1894	E1579-L1892 CarbonylContact C-O 3.24Å; E1579-L1892 WeakPolarHBondContact CA-O 3.39Å; E1579-L1892 WeakPolarHBondContact CB-O 3.44Å; E1579-L1892 WeakPolarHBondContact CG-O 3.18Å; V1580-L1892 VanDerWaalsContact C-C 3.45Å; V1580-L1892 PolarHBondContact N-O 3.06Å; V1580-L1892 WeakPolarHBondContact O-CA 2.99Å; V1580-L1892 PolarHBondContact O-N 2.9Å; E1890-L1892 HydrophobicContact CB-CB 4.22Å; L1892-E1894 VanDerWaalsContact CD2-CD 3.48Å; L1892-E1894 HydrophobicContact CD2-CG 4.07Å; L1892-E1894 WeakPolarHBondContact CD2-OE1 3.35Å; L1892-E1894 HydrophobicContact CG-CG 4.42Å
1893	D	39.3	Very low	34.6	Very low	99.4 Å²	99.4	130.4 Å²	130.4	53%	0.532	68%	0.682	S	S	.	*			trans	-163.4	121.3	146.5	-111.1	0.9	0	0	0	113.7	K1535 E1579 V1580 L1581 L1891 K1895 I2264 K2266	K1535-D1893 IonicContact NZ-OD2 2.96Å; K1535-D1893 PolarHBondContact NZ-OD2 3.08Å; E1579-D1893 CarbonylContact C-O 3.35Å; E1579-D1893 VanDerWaalsContact C-O 3.22Å; E1579-D1893 CarbonylContact O-C 3.32Å; V1580-D1893 VanDerWaalsContact CA-C 3.41Å; L1581-D1893 WeakPolarHBondContact CD1-OD1 3.17Å; L1581-D1893 WeakPolarHBondContact CG-OD1 3.24Å; L1891-D1893 VanDerWaalsContact C-N 3.33Å; D1893-K1895 PolarHBondContact O-N 2.85Å; D1893-K1895 WeakPolarHBondContact OD1-CE 3.33Å; D1893-K1895 IonicContact OD1-NZ 2.73Å; D1893-K1895 PolarHBondContact OD1-NZ 3.28Å; D1893-K1895 VanDerWaalsContact OD1-NZ 3.13Å; D1893-K1895 IonicContact OD2-NZ 2.76Å; D1893-K1895 PolarHBondContact OD2-NZ 2.87Å; D1893-I2264 HydrophobicContact CB-CD1 4.41Å; D1893-K2266 HydrophobicContact CB-CB 4.41Å; D1893-K2266 HydrophobicContact CB-CG 4.22Å; D1893-K2266 VanDerWaalsContact CG-CE 3.46Å; D1893-K2266 WeakPolarHBondContact OD1-CE 3.4Å; D1893-K2266 IonicContact OD1-NZ 2.76Å; D1893-K2266 PolarHBondContact OD1-NZ 2.61Å; D1893-K2266 WeakPolarHBondContact OD2-CD 3.06Å; D1893-K2266 WeakPolarHBondContact OD2-CE 3.17Å; D1893-K2266 WeakPolarHBondContact OD2-CG 3.45Å; D1893-K2266 IonicContact OD2-NZ 3.24Å; D1893-K2266 PolarHBondContact OD2-NZ 3.06Å
1894	E	37.1	Very low	34.8	Very low	139.6 Å²	139.6	132.1 Å²	132.1	65%	0.652	68%	0.682	S	S	*	*			trans	-110.6	141.5	159.7	-83.2	-171.2	153.8	0	0	112.9	L1892 K2266	L1892-E1894 VanDerWaalsContact CD2-CD 3.48Å; L1892-E1894 HydrophobicContact CD2-CG 4.07Å; L1892-E1894 WeakPolarHBondContact CD2-OE1 3.35Å; L1892-E1894 HydrophobicContact CG-CG 4.42Å; E1894-K2266 WeakPolarHBondContact O-CE 3.19Å; E1894-K2266 WeakPolarHBondContact O-CG 3.16Å
1895	K	37.4	Very low	35.2	Very low	134.4 Å²	134.4	133.5 Å²	133.5	58%	0.584	68%	0.682	S	S	*	*			trans	123.4	118	133.5	-57.6	-103.4	176.2	-117.3	0	114.6	C1501 L1502 K1535 K1537 D1893	C1501-K1895 HydrophobicContact CB-CB 4Å; C1501-K1895 HydrophobicContact CB-CD 4.25Å; C1501-K1895 HydrophobicContact CB-CG 4.01Å; C1501-K1895 VanDerWaalsContact O-CB 3.27Å; C1501-K1895 WeakPolarHBondContact O-CB 3.35Å; L1502-K1895 HydrophobicContact CB-CB 4.41Å; L1502-K1895 HydrophobicContact CD1-CB 4.45Å; K1535-K1895 PolarHBondContact O-NZ 3.21Å; K1537-K1895 HydrophobicContact CD-CD 4.38Å; D1893-K1895 PolarHBondContact O-N 2.85Å; D1893-K1895 WeakPolarHBondContact OD1-CE 3.33Å; D1893-K1895 IonicContact OD1-NZ 2.73Å; D1893-K1895 PolarHBondContact OD1-NZ 3.28Å; D1893-K1895 VanDerWaalsContact OD1-NZ 3.13Å; D1893-K1895 IonicContact OD2-NZ 2.76Å; D1893-K1895 PolarHBondContact OD2-NZ 2.87Å
1896	E	30.7	Very low	35.2	Very low	144.6 Å²	144.6	137.2 Å²	137.2	68%	0.676	68%	0.681	S	S	*	*			trans	-28.9	150.5	131.4	-94.3	178.5	164.3	0	0	114.5	L1502 K1537 Q1582	L1502-E1896 PolarHBondContact O-N 2.8Å; K1537-E1896 WeakPolarHBondContact CE-OE1 3.16Å; K1537-E1896 VanDerWaalsContact CE-OE2 3.26Å; K1537-E1896 WeakPolarHBondContact CE-OE2 3.5Å; K1537-E1896 VanDerWaalsContact NZ-CG 3.25Å; K1537-E1896 IonicContact NZ-OE1 3.92Å; K1537-E1896 PolarHBondContact NZ-OE1 2.99Å; K1537-E1896 IonicContact NZ-OE2 3.7Å; Q1582-E1896 VanDerWaalsContact CD-CG 3.48Å; Q1582-E1896 VanDerWaalsContact CD-OE1 3.24Å; Q1582-E1896 PolarHBondContact NE2-OE1 3.16Å; Q1582-E1896 PolarHBondContact NE2-OE2 2.76Å; Q1582-E1896 VanDerWaalsContact OE1-CB 3.27Å
1897	P	38.5	Very low	35.1	Very low	89.2 Å²	89.2	132.4 Å²	132.4	58%	0.579	68%	0.677	S	S	*	*				-131.3	167	60	35.2	-19.2	0	0	0	116.1	V1899	P1897-V1899 PolarHBondContact O-N 3.49Å
1898	E	34.8	Very low	35.4	Very low	162.8 Å²	162.8	135.5 Å²	135.5	76%	0.761	68%	0.681	S	S	*	*			trans	41.7	114.1	151.3	-62.8	177.9	163	0	0	119.7
1899	V	34.4	Very low	35.4	Very low	120.2 Å²	120.2	136.2 Å²	136.2	73%	0.728	69%	0.685	S	S	*	*			trans	-169.9	134.1	139.4	-125.4	0	0	0	0	114.4	P1897 Q1901	P1897-V1899 PolarHBondContact O-N 3.49Å; V1899-Q1901 PolarHBondContact O-N 2.76Å
1900	L	33.4	Very low	35	Very low	142.4 Å²	142.4	134.2 Å²	134.2	75%	0.746	69%	0.692	S	S	*	*			trans	-128.5	118	130.2	-115	172.8	0	0	0	111	D1902 K2271	L1900-D1902 VanDerWaalsContact C-N 3.31Å; L1900-D1902 PolarHBondContact O-N 2.89Å; L1900-K2271 VanDerWaalsContact C-NZ 3.31Å; L1900-K2271 HydrophobicContact CB-CD 4.29Å; L1900-K2271 VanDerWaalsContact CB-NZ 3.29Å; L1900-K2271 VanDerWaalsContact O-CD 3.29Å; L1900-K2271 WeakPolarHBondContact O-CD 3.36Å; L1900-K2271 WeakPolarHBondContact O-CE 3.35Å; L1900-K2271 PolarHBondContact O-NZ 2.62Å
1901	Q	38.5	Very low	34.8	Very low	162.2 Å²	162.2	133.4 Å²	133.4	76%	0.758	70%	0.699	S	S	*	*			trans	-67.3	124.3	159.7	-66.8	171.6	-8.4	0	0	111.8	V1899 S1903 K2271	V1899-Q1901 PolarHBondContact O-N 2.76Å; Q1901-S1903 VanDerWaalsContact C-N 3.3Å; Q1901-S1903 PolarHBondContact O-N 3.2Å; Q1901-K2271 WeakPolarHBondContact O-CE 3.38Å; Q1901-K2271 PolarHBondContact O-NZ 3Å
1902	D	32.4	Very low	34.5	Very low	138.4 Å²	138.4	132.2 Å²	132.2	74%	0.74	70%	0.702	S	S	*	*			trans	-100.7	118	142	-111	-12.3	0	0	0	110.3	L1900	L1900-D1902 VanDerWaalsContact C-N 3.31Å; L1900-D1902 PolarHBondContact O-N 2.89Å
1903	S	35.6	Very low	34.2	Very low	90 Å²	90	130 Å²	130	63%	0.629	71%	0.706	S	S	*	*			trans	-118.5	118.4	150.7	49	0	0	0	0	111.5	Q1901	Q1901-S1903 VanDerWaalsContact C-N 3.3Å; Q1901-S1903 PolarHBondContact O-N 3.2Å
1904	L	37.2	Very low	33.7	Very low	143 Å²	143	135.4 Å²	135.4	75%	0.749	72%	0.721	S	S	*	*				142.3	127.3	112.6	-78.6	172.9	0	0	0	110.8	R1906	L1904-R1906 PolarHBondContact O-N 2.93Å; L1904-R1906 VanDerWaalsContact O-N 3.15Å
1905	D	36.1	Very low	33.3	Very low	134.2 Å²	134.2	135.5 Å²	135.5	72%	0.718	73%	0.725	S	S	*	*			trans	-9.9	124.3	152.9	-125	-15.1	0	0	0	115.9	L1168 C1907	L1168-D1905 WeakPolarHBondContact CD1-OD1 3.25Å; D1905-C1907 PolarHBondContact O-N 3.42Å
1906	R	35.8	Very low	33.2	Very low	194.4 Å²	194.4	136.2 Å²	136.2	73%	0.734	73%	0.73	S	S	*	*			trans	-154.7	120.2	160.9	-150.6	172.8	-142.1	-141.8	-3.4	112.9	L1904 Y1908	L1904-R1906 PolarHBondContact O-N 2.93Å; L1904-R1906 VanDerWaalsContact O-N 3.15Å; R1906-Y1908 HydrophobicContact CG-CD2 4.45Å; R1906-Y1908 HydrophobicContact CG-CE2 4.38Å; R1906-Y1908 PolarHBondContact O-N 2.84Å
1907	C	29.3	Very low	33.5	Very low	98 Å²	98	136.4 Å²	136.4	66%	0.662	74%	0.735	S	S	*	*			trans	-60.5	141.2	171.8	-52.2	0	0	0	0	114.4	D1905	D1905-C1907 PolarHBondContact O-N 3.42Å
1908	Y	33.1	Very low	33.5	Very low	200.8 Å²	200.8	136.9 Å²	136.9	79%	0.787	74%	0.739	S	S	*	*			trans	163.1	122.1	138.2	-78.7	-71	0	0	0	112.9	R1906	R1906-Y1908 HydrophobicContact CG-CD2 4.45Å; R1906-Y1908 HydrophobicContact CG-CE2 4.38Å; R1906-Y1908 PolarHBondContact O-N 2.84Å
1909	S	32.2	Very low	33.4	Very low	111.8 Å²	111.8	136 Å²	136	78%	0.782	74%	0.739	S	S	*	*			trans	-92.2	144.6	166.9	-39.2	0	0	0	0	113.7
1910	T	32.4	Very low	33.3	Very low	129.8 Å²	129.8	137.5 Å²	137.5	80%	0.796	74%	0.742	S	S	*	*			trans	-139.4	127.7	144.5	-15	0	0	0	0	109.7	S1912	T1910-S1912 PolarHBondContact O-N 3.2Å; T1910-S1912 VanDerWaalsContact O-N 3.17Å
1911	P	30.9	Very low	33.3	Very low	118.2 Å²	118.2	134 Å²	134	77%	0.768	74%	0.74	S	S	*	*			trans	-104.3	138.1	172.8	38.1	-31.9	0	0	0	113.8
1912	S	29.6	Very low	33.2	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	74%	0.741	S	S	*	*			trans	154.1	146.3	171.5	66.4	0	0	0	0	114.2	T1910	T1910-S1912 PolarHBondContact O-N 3.2Å; T1910-S1912 VanDerWaalsContact O-N 3.17Å
1913	G	29.1	Very low	33.2	Very low	64.8 Å²	64.8	132.4 Å²	132.4	67%	0.668	74%	0.737	S	S	*	*			cis	-168.8	140.8	-5.3	0	0	0	0	0	113.3
1914	Y	29.1	Very low	32.9	Very low	214.4 Å²	214.4	138.1 Å²	138.1	84%	0.841	75%	0.746	S	S	*	*			trans	112.5	147.4	174.2	-79.4	-74.7	0	0	0	115.1
1915	L	30.1	Very low	32.7	Very low	141.6 Å²	141.6	135.7 Å²	135.7	74%	0.741	74%	0.742	S	S	*	*			trans	111.2	143.3	164.2	-118.3	100.1	0	0	0	115.2
1916	E	35.1	Very low	32.6	Very low	148.2 Å²	148.2	133.9 Å²	133.9	69%	0.693	74%	0.739	S	S	*	*			trans	-117.5	142.8	163.7	-97.6	158.5	146.5	0	0	115.1
1917	L	35.8	Very low	32.2	Very low	148.2 Å²	148.2	128.4 Å²	128.4	78%	0.776	74%	0.735	S	S	*	*			trans	-93.4	161.1	143.2	-82.8	170.2	0	0	0	114.7	L1920	L1917-L1920 HydrophobicContact CD1-CB 4.14Å; L1917-L1920 HydrophobicContact CD1-CD1 4.37Å; L1917-L1920 HydrophobicContact CD2-CB 4.23Å; L1917-L1920 HydrophobicContact CD2-CD1 3.95Å
1918	P	38	Very low	32.3	Very low	101.2 Å²	101.2	128.8 Å²	128.8	66%	0.657	74%	0.735	S	S	*	*				-112	-173.9	-75.3	29.1	-12.4	0	0	0	112	L1920	P1918-L1920 VanDerWaalsContact C-N 3.32Å; P1918-L1920 PolarHBondContact O-N 3.04Å
1919	D	32.9	Very low	32.2	Very low	143.4 Å²	143.4	127.1 Å²	127.1	77%	0.767	73%	0.728	S	S	*	*				152.9	148.2	115.3	-118.8	-9.3	0	0	0	115.9
1920	L	32.4	Very low	32.4	Very low	151.4 Å²	151.4	125.8 Å²	125.8	79%	0.793	72%	0.719	S	S	*	*			trans	-86.9	119.3	154.8	-87.2	153.5	0	0	0	114.7	L1917 P1918	L1917-L1920 HydrophobicContact CD1-CB 4.14Å; L1917-L1920 HydrophobicContact CD1-CD1 4.37Å; L1917-L1920 HydrophobicContact CD2-CB 4.23Å; L1917-L1920 HydrophobicContact CD2-CD1 3.95Å; P1918-L1920 VanDerWaalsContact C-N 3.32Å; P1918-L1920 PolarHBondContact O-N 3.04Å
1921	G	33	Very low	32.5	Very low	69.2 Å²	69.2	125.4 Å²	125.4	71%	0.713	71%	0.711	S	S	*	*			trans	133.9	91.8	153.2	0	0	0	0	0	118.4
1922	Q	37.3	Very low	32.8	Very low	165.8 Å²	165.8	127 Å²	127	78%	0.775	71%	0.709	S	S	*	*			trans	42.7	121.2	150.9	-62.3	-86	-15.2	0	0	115.9
1923	P	32.9	Very low	33.2	Very low	100.6 Å²	100.6	129.1 Å²	129.1	65%	0.653	71%	0.706	S	S	*	*			cis	-125.6	161.1	4.8	32.5	-16.7	0	0	0	113.2	S1925	P1923-S1925 WeakPolarHBondContact O-CB 3.28Å
1924	Y	28.7	Very low	33.2	Very low	210.4 Å²	210.4	132.4 Å²	132.4	83%	0.825	70%	0.704	S	S	*	*			trans	-163.4	108.1	159.1	-99.1	-88.2	0	0	0	111.9	R1541	R1541-Y1924 PolarHBondContact NH1-OH 3.03Å
1925	S	33.1	Very low	33.5	Very low	93.2 Å²	93.2	130.7 Å²	130.7	65%	0.652	70%	0.698	S	S	*	*			trans	147.6	138.8	131.7	-168.2	0	0	0	0	114.9	P1923	P1923-S1925 WeakPolarHBondContact O-CB 3.28Å
1926	S	34.2	Very low	33.7	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	70%	0.7	S	S	*	*			trans	3.7	139.7	153.6	50.5	0	0	0	0	116.2
1927	A	28	Very low	33.7	Very low	79.2 Å²	79.2	127.4 Å²	127.4	66%	0.655	70%	0.701	S	S	*	*			cis	152.2	130.3	5	0	0	0	0	0	111.3
1928	V	29.4	Very low	33.7	Very low	107.4 Å²	107.4	126.4 Å²	126.4	65%	0.651	70%	0.696	S	S	*	*				102.9	113.4	128.7	-155	0	0	0	0	112.2	S1930	V1928-S1930 WeakPolarHBondContact CG1-OG 3.33Å
1929	Y	32.5	Very low	33.5	Very low	163.6 Å²	163.6	125.4 Å²	125.4	64%	0.642	70%	0.696	S	S	*	*			trans	-168.7	132.2	139.4	-75.8	-81.9	0	0	0	111.5	L1931	Y1929-L1931 WeakPolarHBondContact CB-O 3.08Å; Y1929-L1931 HydrophobicContact CD1-CB 4.2Å
1930	S	35.8	Very low	33.6	Very low	85.4 Å²	85.4	125.2 Å²	125.2	60%	0.597	69%	0.694	S	S	*	*				36.9	125.4	108.7	-57.7	0	0	0	0	114.5	V1928 E1932 D1941	V1928-S1930 WeakPolarHBondContact CG1-OG 3.33Å; S1930-E1932 VanDerWaalsContact CA-OE2 3.26Å; S1930-E1932 WeakPolarHBondContact CA-OE2 3.29Å; S1930-E1932 WeakPolarHBondContact CB-OE2 3.36Å; S1930-E1932 PolarHBondContact OG-OE2 2.77Å; S1930-D1941 VanDerWaalsContact C-OD2 3.31Å; S1930-D1941 WeakPolarHBondContact CA-OD2 3.19Å; S1930-D1941 PolarHBondContact N-OD2 2.59Å
1931	L	35.4	Very low	33.8	Very low	120.8 Å²	120.8	124.4 Å²	124.4	63%	0.632	69%	0.69	S	S	*	*				174.4	124.5	51.7	-141.5	147	0	0	0	110.1	Y1929 E1933 L1940 D1941	Y1929-L1931 WeakPolarHBondContact CB-O 3.08Å; Y1929-L1931 HydrophobicContact CD1-CB 4.2Å; L1931-E1933 WeakPolarHBondContact CA-OE1 3.25Å; L1931-E1933 WeakPolarHBondContact CA-OE2 3.34Å; L1931-E1933 HydrophobicContact CD2-CG 4.3Å; L1931-E1933 PolarHBondContact N-OE1 3.33Å; L1931-L1940 HydrophobicContact CB-CD1 4.07Å; L1931-L1940 WeakPolarHBondContact O-CB 3.06Å; L1931-L1940 WeakPolarHBondContact O-CD1 3.11Å; L1931-L1940 WeakPolarHBondContact O-CD2 3.45Å; L1931-L1940 WeakPolarHBondContact O-CG 3.26Å; L1931-D1941 VanDerWaalsContact C-CB 3.44Å; L1931-D1941 VanDerWaalsContact C-OD2 3.26Å; L1931-D1941 WeakPolarHBondContact CA-OD2 3.2Å; L1931-D1941 PolarHBondContact N-OD2 3.37Å; L1931-D1941 WeakPolarHBondContact O-CB 3.5Å; L1931-D1941 PolarHBondContact O-N 2.92Å
1932	E	36.5	Very low	34	Very low	152.6 Å²	152.6	126.6 Å²	126.6	71%	0.713	69%	0.69	S	S	*	*				-128	109.8	106.8	-77.4	155.8	165.4	0	0	112.1	R1493 S1930 Q1934 L1940	R1493-E1932 WeakPolarHBondContact CB-O 3.3Å; R1493-E1932 VanDerWaalsContact CD-O 3.28Å; R1493-E1932 WeakPolarHBondContact CD-O 3.39Å; R1493-E1932 WeakPolarHBondContact CD-OE2 3.25Å; R1493-E1932 IonicContact CZ-OE2 3.03Å; R1493-E1932 IonicContact NE-OE2 3.82Å; R1493-E1932 PolarHBondContact NH1-O 3.1Å; R1493-E1932 IonicContact NH1-OE2 2.75Å; R1493-E1932 PolarHBondContact NH1-OE2 3.32Å; S1930-E1932 VanDerWaalsContact CA-OE2 3.26Å; S1930-E1932 WeakPolarHBondContact CA-OE2 3.29Å; S1930-E1932 WeakPolarHBondContact CB-OE2 3.36Å; S1930-E1932 PolarHBondContact OG-OE2 2.77Å; E1932-Q1934 VanDerWaalsContact C-N 3.27Å; E1932-Q1934 PolarHBondContact O-N 3.31Å; E1932-L1940 WeakPolarHBondContact O-CB 3.46Å
1933	E	37	Very low	34	Very low	154.8 Å²	154.8	125.1 Å²	125.1	72%	0.723	69%	0.687	S	S	*	*			trans	-88.6	125.4	169.8	-74	175.8	176	0	0	109.6	L1931 Y1935 A1939	L1931-E1933 WeakPolarHBondContact CA-OE1 3.25Å; L1931-E1933 WeakPolarHBondContact CA-OE2 3.34Å; L1931-E1933 HydrophobicContact CD2-CG 4.3Å; L1931-E1933 PolarHBondContact N-OE1 3.33Å; E1933-Y1935 PolarHBondContact O-N 3.14Å; E1933-A1939 VanDerWaalsContact CG-O 3.28Å; E1933-A1939 WeakPolarHBondContact CG-O 3.33Å
1934	Q	30.8	Very low	34.3	Very low	134 Å²	134	130.8 Å²	130.8	63%	0.626	70%	0.696	S	S	*	*			trans	-153.3	146.3	167.2	-110.6	174.8	-8.3	0	0	113.7	L1491 D1492 E1932 L1938	L1491-Q1934 PolarHBondContact N-O 3.01Å; D1492-Q1934 HydrophobicContact CB-CB 4.3Å; D1492-Q1934 PolarHBondContact N-O 2.82Å; D1492-Q1934 PolarHBondContact O-N 3.43Å; E1932-Q1934 VanDerWaalsContact C-N 3.27Å; E1932-Q1934 PolarHBondContact O-N 3.31Å; Q1934-L1938 WeakPolarHBondContact CA-O 3.44Å
1935	Y	34.1	Very low	34.9	Very low	179.2 Å²	179.2	127.3 Å²	127.3	70%	0.703	69%	0.69	S	S	*	*			trans	-176.3	143.2	162.8	-84	-66.5	0	0	0	113.2	S1490 L1491 E1933 L1938 P2310	S1490-Y1935 CarbonylContact C-O 3.19Å; S1490-Y1935 CarbonylContact O-C 3.01Å; S1490-Y1935 WeakPolarHBondContact O-CB 3.26Å; L1491-Y1935 PolarHBondContact N-O 3.2Å; E1933-Y1935 PolarHBondContact O-N 3.14Å; Y1935-L1938 HydrophobicContact CD1-CB 3.44Å; Y1935-L1938 VanDerWaalsContact CD1-CB 3.44Å; Y1935-L1938 HydrophobicContact CD1-CD1 4.32Å; Y1935-L1938 HydrophobicContact CD1-CD2 3.16Å; Y1935-L1938 HydrophobicContact CD1-CG 3.72Å; Y1935-L1938 VanDerWaalsContact CD1-O 3.3Å; Y1935-L1938 WeakPolarHBondContact CD1-O 3.48Å; Y1935-L1938 HydrophobicContact CD2-CD2 3.73Å; Y1935-L1938 HydrophobicContact CE1-CB 3.61Å; Y1935-L1938 HydrophobicContact CE1-CD1 3.98Å; Y1935-L1938 HydrophobicContact CE1-CD2 3.63Å; Y1935-L1938 HydrophobicContact CE1-CG 3.88Å; Y1935-L1938 HydrophobicContact CE2-CD2 4.13Å; Y1935-L1938 HydrophobicContact CG-CB 4.38Å; Y1935-L1938 HydrophobicContact CG-CD2 3.21Å; Y1935-L1938 HydrophobicContact CG-CG 4.26Å; Y1935-P2310 HydrophobicContact CE1-CG 4.39Å
1936	L	34.1	Very low	35.1	Very low	151.4 Å²	151.4	131.3 Å²	131.3	79%	0.793	70%	0.695	S	S	*	*			trans	63.1	79.2	134.6	-92.7	101.7	0	0	0	115.3	D1489 S1490 L1938	D1489-L1936 CarbonylContact O-C 3.45Å; D1489-L1936 VanDerWaalsContact O-CA 3.23Å; D1489-L1936 WeakPolarHBondContact O-CA 3.2Å; D1489-L1936 PolarHBondContact O-N 3.3Å; S1490-L1936 CarbonylContact O-C 3.48Å; S1490-L1936 PolarHBondContact O-N 3.32Å; L1936-L1938 HydrophobicContact CB-CD2 4.33Å; L1936-L1938 HydrophobicContact CB-CG 4.06Å; L1936-L1938 HydrophobicContact CD1-CD2 4.47Å; L1936-L1938 HydrophobicContact CG-CD1 4.16Å; L1936-L1938 HydrophobicContact CG-CD2 3.9Å; L1936-L1938 HydrophobicContact CG-CG 3.94Å; L1936-L1938 PolarHBondContact O-N 3.09Å
1937	G	35	Very low	35.3	Very low	68.2 Å²	68.2	134.5 Å²	134.5	70%	0.703	70%	0.697	S	S	*	*			trans	-97	90.2	148.7	0	0	0	0	0	114.2	Q1488 D1489 A1939	Q1488-G1937 PolarHBondContact O-N 3.07Å; D1489-G1937 PolarHBondContact O-N 2.92Å; G1937-A1939 PolarHBondContact O-N 3.44Å; G1937-A1939 VanDerWaalsContact O-N 3.14Å
1938	L	37	Very low	35.7	Very low	128.6 Å²	128.6	135.7 Å²	135.7	67%	0.673	69%	0.693	S	S	*	*			trans	-92.9	117	158.9	-64.6	173	0	0	0	113.8	Q1488 Q1934 Y1935 L1936 L1940 E2311	Q1488-L1938 HydrophobicContact CB-CD2 4.03Å; Q1488-L1938 HydrophobicContact CB-CG 4.47Å; Q1488-L1938 HydrophobicContact CG-CD2 4.48Å; Q1934-L1938 WeakPolarHBondContact CA-O 3.44Å; Y1935-L1938 HydrophobicContact CD1-CB 3.44Å; Y1935-L1938 VanDerWaalsContact CD1-CB 3.44Å; Y1935-L1938 HydrophobicContact CD1-CD1 4.32Å; Y1935-L1938 HydrophobicContact CD1-CD2 3.16Å; Y1935-L1938 HydrophobicContact CD1-CG 3.72Å; Y1935-L1938 VanDerWaalsContact CD1-O 3.3Å; Y1935-L1938 WeakPolarHBondContact CD1-O 3.48Å; Y1935-L1938 HydrophobicContact CD2-CD2 3.73Å; Y1935-L1938 HydrophobicContact CE1-CB 3.61Å; Y1935-L1938 HydrophobicContact CE1-CD1 3.98Å; Y1935-L1938 HydrophobicContact CE1-CD2 3.63Å; Y1935-L1938 HydrophobicContact CE1-CG 3.88Å; Y1935-L1938 HydrophobicContact CE2-CD2 4.13Å; Y1935-L1938 HydrophobicContact CG-CB 4.38Å; Y1935-L1938 HydrophobicContact CG-CD2 3.21Å; Y1935-L1938 HydrophobicContact CG-CG 4.26Å; L1936-L1938 HydrophobicContact CB-CD2 4.33Å; L1936-L1938 HydrophobicContact CB-CG 4.06Å; L1936-L1938 HydrophobicContact CD1-CD2 4.47Å; L1936-L1938 HydrophobicContact CG-CD1 4.16Å; L1936-L1938 HydrophobicContact CG-CD2 3.9Å; L1936-L1938 HydrophobicContact CG-CG 3.94Å; L1936-L1938 PolarHBondContact O-N 3.09Å; L1938-L1940 PolarHBondContact O-N 2.8Å; L1938-E2311 VanDerWaalsContact CA-OE1 3.25Å; L1938-E2311 WeakPolarHBondContact CA-OE1 3.47Å; L1938-E2311 VanDerWaalsContact CB-OE1 3.29Å; L1938-E2311 WeakPolarHBondContact CB-OE1 3.38Å; L1938-E2311 VanDerWaalsContact CD2-CD 3.48Å; L1938-E2311 HydrophobicContact CD2-CG 3.84Å
1939	A	33.7	Very low	36.2	Very low	79.4 Å²	79.4	137.9 Å²	137.9	66%	0.656	70%	0.696	S	S	*	*			trans	-71.3	105.9	153	0	0	0	0	0	113.9	Q1488 E1933 G1937 D1941 E2311	Q1488-A1939 VanDerWaalsContact OE1-CB 3.3Å; E1933-A1939 VanDerWaalsContact CG-O 3.28Å; E1933-A1939 WeakPolarHBondContact CG-O 3.33Å; G1937-A1939 PolarHBondContact O-N 3.44Å; G1937-A1939 VanDerWaalsContact O-N 3.14Å; A1939-D1941 PolarHBondContact O-N 2.87Å; A1939-E2311 VanDerWaalsContact C-OE1 3.3Å; A1939-E2311 PolarHBondContact N-OE1 3.15Å
1940	L	33.8	Very low	36.5	Very low	138.4 Å²	138.4	136.9 Å²	136.9	73%	0.725	70%	0.697	S	S	*	*			trans	-119.3	124.9	158	-81.2	177.3	0	0	0	112.7	L1931 E1932 L1938 V1942 E2311 L2313	L1931-L1940 HydrophobicContact CB-CD1 4.07Å; L1931-L1940 WeakPolarHBondContact O-CB 3.06Å; L1931-L1940 WeakPolarHBondContact O-CD1 3.11Å; L1931-L1940 WeakPolarHBondContact O-CD2 3.45Å; L1931-L1940 WeakPolarHBondContact O-CG 3.26Å; E1932-L1940 WeakPolarHBondContact O-CB 3.46Å; L1938-L1940 PolarHBondContact O-N 2.8Å; L1940-V1942 HydrophobicContact CB-CG2 4.04Å; L1940-V1942 HydrophobicContact CD2-CG2 3.68Å; L1940-V1942 HydrophobicContact CG-CG2 4.41Å; L1940-E2311 HydrophobicContact CD2-CB 4.38Å; L1940-E2311 HydrophobicContact CD2-CG 4.45Å; L1940-E2311 WeakPolarHBondContact CD2-OE2 3.22Å; L1940-E2311 VanDerWaalsContact CG-OE2 3.3Å; L1940-E2311 WeakPolarHBondContact CG-OE2 3.22Å; L1940-E2311 PolarHBondContact N-OE1 2.9Å; L1940-L2313 HydrophobicContact CD2-CD1 4.22Å
1941	D	38.2	Very low	36.7	Very low	134.6 Å²	134.6	140.2 Å²	140.2	72%	0.72	70%	0.703	S	S	*	*			trans	-99.5	136.2	144.4	-102.3	-13.1	0	0	0	113.9	S1930 L1931 A1939 D1943	S1930-D1941 VanDerWaalsContact C-OD2 3.31Å; S1930-D1941 WeakPolarHBondContact CA-OD2 3.19Å; S1930-D1941 PolarHBondContact N-OD2 2.59Å; L1931-D1941 VanDerWaalsContact C-CB 3.44Å; L1931-D1941 VanDerWaalsContact C-OD2 3.26Å; L1931-D1941 WeakPolarHBondContact CA-OD2 3.2Å; L1931-D1941 PolarHBondContact N-OD2 3.37Å; L1931-D1941 WeakPolarHBondContact O-CB 3.5Å; L1931-D1941 PolarHBondContact O-N 2.92Å; A1939-D1941 PolarHBondContact O-N 2.87Å; D1941-D1943 PolarHBondContact O-N 2.89Å; D1941-D1943 VanDerWaalsContact O-N 3.15Å
1942	V	37.1	Very low	36.9	Very low	116.6 Å²	116.6	141.6 Å²	141.6	71%	0.707	71%	0.706	S	S	*	*			trans	-21.1	115.9	145	-178.4	0	0	0	0	114.5	L1940	L1940-V1942 HydrophobicContact CB-CG2 4.04Å; L1940-V1942 HydrophobicContact CD2-CG2 3.68Å; L1940-V1942 HydrophobicContact CG-CG2 4.41Å
1943	D	37.5	Very low	37.1	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	71%	0.705	S	S	*	*				-155.2	133.3	124.6	-92.5	-28.2	0	0	0	113.8	D1941 I1945	D1941-D1943 PolarHBondContact O-N 2.89Å; D1941-D1943 VanDerWaalsContact O-N 3.15Å; D1943-I1945 WeakPolarHBondContact OD1-CG1 3.23Å
1944	R	38.9	Very low	37.1	Very low	220 Å²	220	139.4 Å²	139.4	83%	0.83	70%	0.7	S	S	*	*				157.5	109.9	109.4	-129.4	-178.1	-158.4	-171.7	4.3	114.8	D2315	R1944-D2315 IonicContact NH2-OD2 2.71Å; R1944-D2315 PolarHBondContact NH2-OD2 2.77Å
1945	I	39.7	Very low	37.4	Very low	136.2 Å²	136.2	139.8 Å²	139.8	70%	0.698	70%	0.701	S	S	*	*				43.1	119.3	128.4	-55.6	169.9	0	0	0	115	D1943 E2288	D1943-I1945 WeakPolarHBondContact OD1-CG1 3.23Å; I1945-E2288 WeakPolarHBondContact CG2-OE1 3.06Å
1946	K	37.4	Very low	37.6	Very low	177 Å²	177	134.3 Å²	134.3	77%	0.77	70%	0.699	S	S	*	*			trans	85.3	121.6	153.7	-71.9	179.6	-176.4	177.6	0	117
1947	K	39.2	Very low	37.9	Very low	162.6 Å²	162.6	132.2 Å²	132.2	71%	0.707	70%	0.695	S	S	*	*				79.9	140.7	93.4	-88.4	180	152.4	-90.2	0	112
1948	D	36.9	Very low	38.1	Very low	104.2 Å²	104.2	134.3 Å²	134.3	56%	0.557	70%	0.696	S	S	*	*				163.9	159.5	112.6	-68.9	-39.2	0	0	0	111.8	S2132 R2133	D1948-S2132 PolarHBondContact O-OG 3.11Å; D1948-R2133 IonicContact OD1-CZ 3.22Å; D1948-R2133 IonicContact OD1-NE 2.68Å; D1948-R2133 IonicContact OD1-NH1 2.74Å; D1948-R2133 PolarHBondContact OD1-NH1 3.33Å
1949	Q	39.5	Very low	38	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	70%	0.698	S	S	*	*			trans	86.6	135.4	171	-73	-176.8	-57.4	0	0	115	S2132 R2133	Q1949-S2132 CarbonylContact O-C 2.87Å; Q1949-S2132 VanDerWaalsContact O-CA 3.31Å; Q1949-S2132 WeakPolarHBondContact O-CA 3.46Å; Q1949-S2132 PolarHBondContact O-N 3.03Å; Q1949-S2132 PolarHBondContact O-OG 3.29Å; Q1949-S2132 VanDerWaalsContact O-OG 3.09Å; Q1949-R2133 PolarHBondContact O-N 3.25Å
1950	E	39	Very low	38.2	Very low	142.8 Å²	142.8	134.4 Å²	134.4	67%	0.667	70%	0.699	S	S	*	*				118.9	142.6	52	-111.4	164.9	-170.9	0	0	112.2	S1302	S1302-E1950 WeakPolarHBondContact CA-O 3.32Å
1951	E	39	Very low	38.4	Very low	155.8 Å²	155.8	138.4 Å²	138.4	73%	0.728	71%	0.705	S	S	*	*				-159.8	165.1	56.3	-102.8	178.4	167.1	0	0	111.4	R1301 S1302 K1303	R1301-E1951 WeakPolarHBondContact O-CA 3.31Å; S1302-E1951 CarbonylContact C-O 3.36Å; S1302-E1951 VanDerWaalsContact C-O 3.3Å; S1302-E1951 WeakPolarHBondContact CA-O 3.41Å; K1303-E1951 PolarHBondContact N-O 3.28Å
1952	E	40.6	Very low	38.1	Very low	149.6 Å²	149.6	139.1 Å²	139.1	70%	0.699	71%	0.707	S	S	*	*				-88.8	162.7	123.6	-100.8	-167.2	158.2	0	0	116.8	R1300 R1301	R1300-E1952 CarbonylContact O-C 3.08Å; R1301-E1952 WeakPolarHBondContact CB-O 3.06Å; R1301-E1952 WeakPolarHBondContact CD-O 3.2Å; R1301-E1952 VanDerWaalsContact CG-O 3.32Å; R1301-E1952 WeakPolarHBondContact CG-O 3.28Å; R1301-E1952 VanDerWaalsContact N-CA 3.35Å; R1301-E1952 PolarHBondContact N-O 2.65Å
1953	E	40.5	Very low	38.2	Very low	147 Å²	147	138.6 Å²	138.6	69%	0.687	71%	0.709	S	S	*	*			cis	153.5	145	47.1	-89.6	-157.6	144.9	0	0	113.7	R1300 R1301 Q1955	R1300-E1953 PolarHBondContact O-N 3.29Å; R1301-E1953 WeakPolarHBondContact CD-O 3.29Å; R1301-E1953 VanDerWaalsContact CG-O 3.23Å; R1301-E1953 WeakPolarHBondContact CG-O 3.46Å; R1301-E1953 VanDerWaalsContact CZ-O 3.3Å; R1301-E1953 PolarHBondContact NE-O 3.19Å; R1301-E1953 PolarHBondContact NH1-O 3.31Å; E1953-Q1955 VanDerWaalsContact C-N 3.27Å; E1953-Q1955 HydrophobicContact CB-CB 3.89Å; E1953-Q1955 HydrophobicContact CB-CG 3.86Å; E1953-Q1955 HydrophobicContact CG-CB 4.13Å; E1953-Q1955 HydrophobicContact CG-CG 3.86Å; E1953-Q1955 WeakPolarHBondContact OE1-CB 3.39Å; E1953-Q1955 WeakPolarHBondContact OE1-CG 3.14Å; E1953-Q1955 PolarHBondContact OE1-NE2 3.32Å
1954	D	37.1	Very low	38.5	Very low	114.2 Å²	114.2	142.7 Å²	142.7	61%	0.611	71%	0.714	S	S	*	*				-161.7	125.6	111.1	-169.2	32.5	0	0	0	112.1	R1300 R1301	R1300-D1954 IonicContact CZ-OD2 2.76Å; R1300-D1954 PolarHBondContact NH1-O 3.26Å; R1300-D1954 IonicContact NH1-OD2 3.8Å; R1300-D1954 PolarHBondContact NH1-OD2 3.41Å; R1301-D1954 HydrophobicContact CG-CB 4.15Å; R1301-D1954 IonicContact CZ-OD1 2.69Å; R1301-D1954 IonicContact NH1-OD1 3.67Å; R1301-D1954 PolarHBondContact NH1-OD1 2.79Å; R1301-D1954 IonicContact NH2-OD1 2.73Å; R1301-D1954 PolarHBondContact NH2-OD1 3.34Å; R1301-D1954 IonicContact NH2-OD2 3.19Å
1955	Q	38	Very low	38.3	Very low	141.2 Å²	141.2	139.3 Å²	139.3	66%	0.66	71%	0.708	S	S	*	*			trans	68.9	107.5	158.8	-56.3	-82.6	-3.3	0	0	115.3	K1628 E1953 P1957	K1628-Q1955 VanDerWaalsContact NZ-CD 3.34Å; E1953-Q1955 VanDerWaalsContact C-N 3.27Å; E1953-Q1955 HydrophobicContact CB-CB 3.89Å; E1953-Q1955 HydrophobicContact CB-CG 3.86Å; E1953-Q1955 HydrophobicContact CG-CB 4.13Å; E1953-Q1955 HydrophobicContact CG-CG 3.86Å; E1953-Q1955 WeakPolarHBondContact OE1-CB 3.39Å; E1953-Q1955 WeakPolarHBondContact OE1-CG 3.14Å; E1953-Q1955 PolarHBondContact OE1-NE2 3.32Å; Q1955-P1957 VanDerWaalsContact C-CD 3.45Å; Q1955-P1957 CarbonylContact O-C 3.46Å; Q1955-P1957 WeakPolarHBondContact O-CA 3.27Å
1956	G	36.8	Very low	38.1	Very low	64.2 Å²	64.2	139.9 Å²	139.9	66%	0.662	71%	0.712	S	S	*	*			trans	155.3	125.5	162.2	0	0	0	0	0	114.9	P1958	G1956-P1958 WeakPolarHBondContact O-CD 3.17Å
1957	P	40	Very low	38.2	Very low	107.6 Å²	107.6	138.3 Å²	138.3	70%	0.699	71%	0.711	S	S	*	*			trans	-95.8	165.1	-169.2	20.7	-7.8	0	0	0	113.3	K1628 Q1955 C1959	K1628-P1957 VanDerWaalsContact CE-O 3.28Å; K1628-P1957 WeakPolarHBondContact CE-O 3.1Å; K1628-P1957 PolarHBondContact NZ-O 3.44Å; Q1955-P1957 VanDerWaalsContact C-CD 3.45Å; Q1955-P1957 CarbonylContact O-C 3.46Å; Q1955-P1957 WeakPolarHBondContact O-CA 3.27Å; P1957-C1959 VanDerWaalsContact C-N 3.31Å; P1957-C1959 PolarHBondContact O-N 2.91Å
1958	P	39.2	Very low	38.2	Very low	112.2 Å²	112.2	138.2 Å²	138.2	73%	0.729	71%	0.713	S	S	*	*			trans	-104.2	135.5	-159.7	37.2	-30.7	0	0	0	115.1	G1956 P1960	G1956-P1958 WeakPolarHBondContact O-CD 3.17Å; P1958-P1960 WeakPolarHBondContact O-CD 3.25Å; P1958-P1960 VanDerWaalsContact O-CG 3.29Å; P1958-P1960 WeakPolarHBondContact O-CG 3.33Å
1959	C	36.2	Very low	38.3	Very low	104.4 Å²	104.4	139.1 Å²	139.1	71%	0.705	72%	0.722	S	S	*	*			trans	-80.4	142.7	173.5	-59.3	0	0	0	0	113.8	P1957 R1961	P1957-C1959 VanDerWaalsContact C-N 3.31Å; P1957-C1959 PolarHBondContact O-N 2.91Å; C1959-R1961 VanDerWaalsContact C-N 3.31Å; C1959-R1961 PolarHBondContact O-N 3.14Å
1960	P	38.4	Very low	38.2	Very low	105 Å²	105	137.3 Å²	137.3	68%	0.682	72%	0.722	S	S	*	*			trans	-98.3	137	-165.4	30	-22.6	0	0	0	114.2	P1958 L1962 D1977	P1958-P1960 WeakPolarHBondContact O-CD 3.25Å; P1958-P1960 VanDerWaalsContact O-CG 3.29Å; P1958-P1960 WeakPolarHBondContact O-CG 3.33Å; P1960-L1962 VanDerWaalsContact C-N 3.34Å; P1960-L1962 PolarHBondContact O-N 3.26Å; P1960-D1977 HydrophobicContact CB-CB 3.93Å; P1960-D1977 VanDerWaalsContact CB-OD2 3.3Å; P1960-D1977 WeakPolarHBondContact CB-OD2 3.41Å; P1960-D1977 HydrophobicContact CG-CB 3.62Å; P1960-D1977 VanDerWaalsContact CG-OD2 3.27Å; P1960-D1977 WeakPolarHBondContact CG-OD2 3.28Å
1961	R	37	Very low	38	Very low	224.2 Å²	224.2	138.4 Å²	138.4	85%	0.846	73%	0.727	S	S	*	*			trans	-161.6	118	161	-78.4	-166.7	162.8	129.5	0.7	115.9	C1959	C1959-R1961 VanDerWaalsContact C-N 3.31Å; C1959-R1961 PolarHBondContact O-N 3.14Å
1962	L	33	Very low	37.9	Very low	147.4 Å²	147.4	136.2 Å²	136.2	77%	0.772	73%	0.725	S	S	*	*				-173.5	129.8	104.7	-70.4	176.1	0	0	0	115.1	P1960	P1960-L1962 VanDerWaalsContact C-N 3.34Å; P1960-L1962 PolarHBondContact O-N 3.26Å
1963	S	37.5	Very low	37.8	Very low	106.2 Å²	106.2	137.6 Å²	137.6	74%	0.743	73%	0.732	S	S	*	*			trans	84.2	123.6	135.9	65.5	0	0	0	0	118.2
1964	R	44.1	Very low	37.9	Very low	220.2 Å²	220.2	136.4 Å²	136.4	83%	0.831	74%	0.735	S	S	*	*				164.9	122.4	112.2	-131.3	172.5	174.6	160.6	7.6	115.9	L1966	R1964-L1966 PolarHBondContact O-N 3.06Å
1965	E	35.8	Very low	37.9	Very low	148.8 Å²	148.8	138.8 Å²	138.8	70%	0.695	75%	0.746	S	S	*	*				47.1	103.5	125.6	-72.7	169.4	151.1	0	0	113.8
1966	L	35.6	Very low	38.1	Very low	149.6 Å²	149.6	140.1 Å²	140.1	78%	0.783	75%	0.753	S	S	*	*			trans	141.9	124.8	131.6	-95.6	161.2	0	0	0	112.2	R1964 E1968	R1964-L1966 PolarHBondContact O-N 3.06Å; L1966-E1968 HydrophobicContact CB-CB 4.33Å; L1966-E1968 HydrophobicContact CD2-CB 3.89Å
1967	L	38.2	Very low	38.2	Very low	144 Å²	144	143.9 Å²	143.9	75%	0.754	76%	0.758	S	S	*	*			cis	177.5	124.6	26.8	-109.1	108.4	0	0	0	111.1	V1969	L1967-V1969 HydrophobicContact CD2-CG2 3.84Å
1968	E	39.2	Very low	37.9	Very low	159.8 Å²	159.8	143.1 Å²	143.1	75%	0.747	76%	0.755	S	S	*	*				85	110.9	105.9	-133.8	174.7	-171.4	0	0	116.3	L1966 V1970	L1966-E1968 HydrophobicContact CB-CB 4.33Å; L1966-E1968 HydrophobicContact CD2-CB 3.89Å; E1968-V1970 HydrophobicContact CG-CG2 4.09Å
1969	V	39.9	Very low	37.9	Very low	122.4 Å²	122.4	144.3 Å²	144.3	74%	0.742	75%	0.754	S	S	*	*			trans	-178.8	98.7	160.6	-175.8	0	0	0	0	111.8	L1967	L1967-V1969 HydrophobicContact CD2-CG2 3.84Å
1970	V	37.7	Very low	38	Very low	117.4 Å²	117.4	146.2 Å²	146.2	71%	0.712	76%	0.758	S	S	*	*				58.8	116.2	108.3	170.7	0	0	0	0	114.1	E1968	E1968-V1970 HydrophobicContact CG-CG2 4.09Å
1971	E	34.9	Very low	38.2	Very low	165.8 Å²	165.8	150.6 Å²	150.6	78%	0.775	76%	0.76	S	S	*	*			cis	-144.9	160.8	-5.3	-126.4	168.7	173.7	0	0	108.9
1972	P	37.2	Very low	38.1	Very low	108.2 Å²	108.2	144.8 Å²	144.8	70%	0.703	75%	0.753	S	S	*	*			trans	-108.7	147.4	-165.6	36.4	-29.2	0	0	0	114.1	V1974	P1972-V1974 PolarHBondContact O-N 2.88Å
1973	E	38.2	Very low	38.3	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	76%	0.757	S	S	*	*			trans	-133.9	123.1	146.2	-85.5	-151.1	147	0	0	111.9
1974	V	41.6	Very low	38.1	Very low	121.8 Å²	121.8	147.6 Å²	147.6	74%	0.738	75%	0.753	S	S	*	*			trans	47.1	126.2	167.3	-100.5	0	0	0	0	118.8	P1972	P1972-V1974 PolarHBondContact O-N 2.88Å
1975	L	37.6	Very low	37.7	Very low	163.6 Å²	163.6	143.4 Å²	143.4	86%	0.857	75%	0.752	S	S	*	*			trans	122	117.1	132.4	-76.1	175	0	0	0	113.9	D1977	L1975-D1977 PolarHBondContact O-N 3.18Å
1976	Q	42.7	Very low	37.8	Very low	170.2 Å²	170.2	141.1 Å²	141.1	80%	0.795	75%	0.75	S	S	*	*			trans	-103.1	125.2	135.1	-70.6	-176	-0.9	0	0	110	S1978	Q1976-S1978 PolarHBondContact O-N 2.93Å
1977	D	38.9	Very low	37.7	Very low	142.4 Å²	142.4	138.9 Å²	138.9	76%	0.761	75%	0.747	S	S	*	*			trans	165.7	126.3	136.9	-101.3	-14.5	0	0	0	112.9	P1960 L1975 L1979	P1960-D1977 HydrophobicContact CB-CB 3.93Å; P1960-D1977 VanDerWaalsContact CB-OD2 3.3Å; P1960-D1977 WeakPolarHBondContact CB-OD2 3.41Å; P1960-D1977 HydrophobicContact CG-CB 3.62Å; P1960-D1977 VanDerWaalsContact CG-OD2 3.27Å; P1960-D1977 WeakPolarHBondContact CG-OD2 3.28Å; L1975-D1977 PolarHBondContact O-N 3.18Å; D1977-L1979 PolarHBondContact O-N 3.25Å
1978	S	33.7	Very low	37.4	Very low	90.8 Å²	90.8	137.2 Å²	137.2	64%	0.635	75%	0.747	S	S	*	*			trans	-22.6	98.8	158.8	15.8	0	0	0	0	112.9	Q1976	Q1976-S1978 PolarHBondContact O-N 2.93Å
1979	L	39.1	Very low	37	Very low	137.6 Å²	137.6	135.2 Å²	135.2	72%	0.72	75%	0.75	S	S	*	*				-122.2	105.6	75.6	-78.2	177.9	0	0	0	113	L1612 D1977 R1981	L1612-L1979 HydrophobicContact CD1-CD2 3.98Å; L1612-L1979 HydrophobicContact CD2-CD2 3.73Å; D1977-L1979 PolarHBondContact O-N 3.25Å; L1979-R1981 VanDerWaalsContact C-N 3.29Å; L1979-R1981 HydrophobicContact CD2-CB 3.92Å; L1979-R1981 HydrophobicContact CD2-CG 3.84Å; L1979-R1981 PolarHBondContact O-N 2.84Å
1980	D	38.6	Very low	36.6	Very low	145.4 Å²	145.4	136.5 Å²	136.5	78%	0.778	75%	0.752	S	S	*	*			trans	-67.5	115.9	158	-121.8	-30.5	0	0	0	113	C1982	D1980-C1982 PolarHBondContact O-N 2.89Å; D1980-C1982 VanDerWaalsContact O-N 3.11Å; D1980-C1982 PolarHBondContact OD1-N 3.35Å; D1980-C1982 PolarHBondContact OD1-SG 2.83Å
1981	R	41.4	Very low	36.3	Very low	195.8 Å²	195.8	138.2 Å²	138.2	74%	0.739	75%	0.752	S	S	*	*			trans	-133.5	114	-178.4	-155.9	166.3	-137.2	-162.2	0.8	111.1	L1598 T1599 D1600 L1979 Y1983	L1598-R1981 HydrophobicContact CD2-CG 3.97Å; T1599-R1981 WeakPolarHBondContact CB-O 3.18Å; T1599-R1981 HydrophobicContact CG2-CB 3.6Å; T1599-R1981 HydrophobicContact CG2-CG 3.64Å; T1599-R1981 WeakPolarHBondContact CG2-O 3.1Å; T1599-R1981 PolarHBondContact OG1-O 3.1Å; D1600-R1981 VanDerWaalsContact OD2-CD 3.28Å; D1600-R1981 WeakPolarHBondContact OD2-CD 3.23Å; D1600-R1981 IonicContact OD2-CZ 3.64Å; D1600-R1981 IonicContact OD2-NE 3.87Å; D1600-R1981 IonicContact OD2-NH1 2.67Å; D1600-R1981 PolarHBondContact OD2-NH1 3.23Å; L1979-R1981 VanDerWaalsContact C-N 3.29Å; L1979-R1981 HydrophobicContact CD2-CB 3.92Å; L1979-R1981 HydrophobicContact CD2-CG 3.84Å; L1979-R1981 PolarHBondContact O-N 2.84Å; R1981-Y1983 PolarHBondContact O-N 3.08Å
1982	C	35.4	Very low	36.3	Very low	103.2 Å²	103.2	137.2 Å²	137.2	70%	0.697	75%	0.747	S	S	*	*			trans	-11.1	118	168	-66.9	0	0	0	0	115.5	D1980	D1980-C1982 PolarHBondContact O-N 2.89Å; D1980-C1982 VanDerWaalsContact O-N 3.11Å; D1980-C1982 PolarHBondContact OD1-N 3.35Å; D1980-C1982 PolarHBondContact OD1-SG 2.83Å
1983	Y	37.3	Very low	36.4	Very low	219.2 Å²	219.2	136.7 Å²	136.7	86%	0.86	74%	0.744	S	S	*	*				-161.7	125.4	120.4	-75.3	-80	0	0	0	112.9	L1598 R1981 T1985	L1598-Y1983 WeakPolarHBondContact CD1-O 3.24Å; R1981-Y1983 PolarHBondContact O-N 3.08Å; Y1983-T1985 PolarHBondContact O-N 3.08Å
1984	S	34.1	Very low	36.2	Very low	93.4 Å²	93.4	135.4 Å²	135.4	65%	0.653	74%	0.743	S	S	*	*				-149.8	152	126.6	-67.6	0	0	0	0	113.5
1985	T	34.4	Very low	35.7	Very low	131.6 Å²	131.6	134.6 Å²	134.6	81%	0.807	74%	0.743	S	S	*	*				171.5	159.5	122.5	12.7	0	0	0	0	113.6	Y1983	Y1983-T1985 PolarHBondContact O-N 3.08Å
1986	P	39	Very low	35.3	Very low	101 Å²	101	132.5 Å²	132.5	66%	0.656	74%	0.74	S	S	*	*			trans	-121.5	170	-171.9	39.5	-26.8	0	0	0	116.2	G1557 E1558 L1596	G1557-P1986 WeakPolarHBondContact O-CG 3.4Å; E1558-P1986 HydrophobicContact CB-CG 4.23Å; E1558-P1986 HydrophobicContact CG-CG 4.45Å; L1596-P1986 HydrophobicContact CB-CG 4.11Å; L1596-P1986 HydrophobicContact CD1-CG 3.91Å
1987	S	33.4	Very low	34.8	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	74%	0.74	S	S	*	*			trans	81.1	146.3	160.5	50.7	0	0	0	0	117.6
1988	S	30.6	Very low	34.5	Very low	108.6 Å²	108.6	131 Å²	131	76%	0.759	74%	0.738	S	S	*	*			trans	-175.2	122.5	138.7	50.9	0	0	0	0	116.2
1989	C	30.3	Very low	34.3	Very low	118 Å²	118	137 Å²	137	80%	0.797	75%	0.749	S	S	*	*			trans	169.6	140.2	131.5	64.6	0	0	0	0	113.9
1990	L	31.6	Very low	34	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	74%	0.743	S	S	*	*			trans	87.7	132.5	143.5	-68.1	167.8	0	0	0	112.9	F2501	L1990-F2501 HydrophobicContact CB-CE2 3.73Å; L1990-F2501 HydrophobicContact CB-CZ 4.16Å; L1990-F2501 HydrophobicContact CD2-CD2 4.34Å; L1990-F2501 HydrophobicContact CD2-CE2 4.31Å; L1990-F2501 HydrophobicContact CG-CE2 4.41Å; L1990-F2501 WeakPolarHBondContact O-CZ 3.25Å
1991	E	31.7	Very low	33.5	Very low	151.8 Å²	151.8	131.2 Å²	131.2	71%	0.709	74%	0.74	S	S	*	*				-159.2	177.9	60.3	-148.8	152	141.5	0	0	114.6	D2390 S2391 F2501 L2503	E1991-D2390 WeakPolarHBondContact CA-OD2 3.31Å; E1991-D2390 HydrophobicContact CG-CB 4.44Å; E1991-D2390 VanDerWaalsContact OE2-CB 3.23Å; E1991-D2390 WeakPolarHBondContact OE2-CB 3.49Å; E1991-S2391 WeakPolarHBondContact OE1-CB 3.44Å; E1991-S2391 PolarHBondContact OE1-N 3.28Å; E1991-S2391 PolarHBondContact OE1-OG 3.08Å; E1991-S2391 WeakPolarHBondContact OE2-CA 3.21Å; E1991-S2391 WeakPolarHBondContact OE2-CB 3.33Å; E1991-S2391 PolarHBondContact OE2-N 2.76Å; E1991-S2391 PolarHBondContact OE2-OG 3.03Å; E1991-F2501 VanDerWaalsContact C-CE1 3.4Å; E1991-F2501 HydrophobicContact CB-CD1 3.5Å; E1991-F2501 VanDerWaalsContact CB-CD1 3.5Å; E1991-F2501 HydrophobicContact CB-CD2 3.99Å; E1991-F2501 HydrophobicContact CB-CE1 3.52Å; E1991-F2501 HydrophobicContact CB-CE2 4Å; E1991-F2501 HydrophobicContact CB-CG 3.77Å; E1991-F2501 HydrophobicContact CB-CZ 3.77Å; E1991-F2501 HydrophobicContact CG-CB 4.44Å; E1991-F2501 HydrophobicContact CG-CD1 3.57Å; E1991-F2501 HydrophobicContact CG-CE1 4.08Å; E1991-F2501 HydrophobicContact CG-CG 3.84Å; E1991-L2503 WeakPolarHBondContact OE1-CD1 3.37Å
1992	Q	35.3	Very low	33	Very low	144.8 Å²	144.8	126.3 Å²	126.3	68%	0.677	74%	0.736	S	S	*	*			trans	-104	-174.1	-171.4	-64	179.4	-16.5	0	0	113.3	D2390 F2501	Q1992-D2390 HydrophobicContact CB-CB 3.92Å; Q1992-D2390 VanDerWaalsContact CB-OD2 3.29Å; Q1992-D2390 WeakPolarHBondContact CB-OD2 3.47Å; Q1992-D2390 HydrophobicContact CG-CB 4.36Å; Q1992-D2390 VanDerWaalsContact CG-OD2 3.27Å; Q1992-D2390 WeakPolarHBondContact CG-OD2 3.11Å; Q1992-D2390 PolarHBondContact N-OD2 2.84Å; Q1992-F2501 HydrophobicContact CB-CD1 4.09Å; Q1992-F2501 HydrophobicContact CB-CE1 4.38Å; Q1992-F2501 WeakPolarHBondContact O-CE1 3.35Å
1993	P	39.6	Very low	32.8	Very low	98 Å²	98	129.7 Å²	129.7	64%	0.636	74%	0.739	S	S	*	*			cis	-135.3	-178.2	-26.2	38.1	-19.6	0	0	0	114.7	L2388 Q2389	P1993-L2388 HydrophobicContact CG-CD2 4.11Å; P1993-Q2389 HydrophobicContact CG-CG 3.81Å
1994	D	32.9	Very low	32.6	Very low	152.4 Å²	152.4	129 Å²	129	82%	0.815	74%	0.737	S	S	*	*			trans	-10	146	153.5	-76.6	-43.2	0	0	0	116.9
1995	S	31.4	Very low	32.6	Very low	105.2 Å²	105.2	128.8 Å²	128.8	74%	0.736	74%	0.741	S	S	*	*			trans	171.1	118.4	136.3	68.8	0	0	0	0	116.6
1996	C	30.4	Very low	32.7	Very low	119.8 Å²	119.8	130 Å²	130	81%	0.809	74%	0.741	S	S	*	*			trans	90.7	121.1	137.5	-71.1	0	0	0	0	115.8
1997	Q	30.9	Very low	32.5	Very low	169.8 Å²	169.8	132.1 Å²	132.1	79%	0.793	74%	0.742	S	S	*	*			trans	-90.6	134.2	131	-87.2	-82.5	-41.6	0	0	114.1	Y1999	Q1997-Y1999 VanDerWaalsContact C-N 3.3Å; Q1997-Y1999 PolarHBondContact O-N 2.99Å; Q1997-Y1999 VanDerWaalsContact O-N 3.08Å
1998	P	34	Very low	32.7	Very low	111 Å²	111	134.5 Å²	134.5	72%	0.721	74%	0.742	S	S	*	*			trans	-105.7	151.3	178	38.4	-30.8	0	0	0	112.8
1999	Y	29.3	Very low	33	Very low	217.2 Å²	217.2	136.1 Å²	136.1	85%	0.852	74%	0.735	S	S	*	*			trans	88	147.9	173.2	-122.8	-106.8	0	0	0	114.3	Q1997 S2001 F2003	Q1997-Y1999 VanDerWaalsContact C-N 3.3Å; Q1997-Y1999 PolarHBondContact O-N 2.99Å; Q1997-Y1999 VanDerWaalsContact O-N 3.08Å; Y1999-S2001 WeakPolarHBondContact OH-CB 3.29Å; Y1999-F2003 WeakPolarHBondContact OH-CZ 3.27Å
2000	G	31.4	Very low	33.3	Very low	58.6 Å²	58.6	138 Å²	138	60%	0.604	73%	0.732	S	S	*	*			cis	-177.9	158.2	1.6	0	0	0	0	0	113.2
2001	S	29.1	Very low	33.4	Very low	102.2 Å²	102.2	136.1 Å²	136.1	72%	0.715	73%	0.727	S	S	*	*			trans	101.3	118.1	-152.6	55.5	0	0	0	0	114	Y1999	Y1999-S2001 WeakPolarHBondContact OH-CB 3.29Å
2002	S	31.1	Very low	33.6	Very low	93.8 Å²	93.8	131.8 Å²	131.8	66%	0.656	72%	0.723	S	S	*	*			trans	-33	140.2	149.5	53.8	0	0	0	0	115.4	Y2004	S2002-Y2004 WeakPolarHBondContact O-CE2 3.29Å
2003	F	31.1	Very low	33.6	Very low	174 Å²	174	132.1 Å²	132.1	76%	0.763	72%	0.722	S	S	*	*			trans	162.7	135.5	136.7	-81	-65.1	0	0	0	112.4	Y1999	Y1999-F2003 WeakPolarHBondContact OH-CZ 3.27Å
2004	Y	33.4	Very low	33.3	Very low	205.6 Å²	205.6	132.5 Å²	132.5	81%	0.806	73%	0.728	S	S	*	*			trans	-111.2	147.8	168.5	-63.3	-81.6	0	0	0	114.1	S2002	S2002-Y2004 WeakPolarHBondContact O-CE2 3.29Å
2005	A	32.9	Very low	33.4	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	72%	0.722	S	S	*	*			trans	160.2	135.6	134.7	0	0	0	0	0	112.5
2006	L	37.8	Very low	33.7	Very low	156.2 Å²	156.2	132.8 Å²	132.8	82%	0.818	72%	0.72	S	S	*	*				-141.8	146.7	118.9	-73.5	174	0	0	0	111.4
2007	E	35.1	Very low	34.1	Very low	145.4 Å²	145.4	132 Å²	132	68%	0.679	71%	0.712	S	S	*	*				107.9	120.2	79.8	-68.6	-175.7	-153.8	0	0	114.8	K2009	E2007-K2009 PolarHBondContact O-N 2.86Å; E2007-K2009 WeakPolarHBondContact OE1-CE 3.27Å; E2007-K2009 IonicContact OE1-NZ 2.78Å; E2007-K2009 PolarHBondContact OE1-NZ 2.94Å; E2007-K2009 VanDerWaalsContact OE2-CE 3.28Å; E2007-K2009 WeakPolarHBondContact OE2-CE 3.26Å; E2007-K2009 IonicContact OE2-NZ 3.05Å; E2007-K2009 PolarHBondContact OE2-NZ 2.89Å
2008	E	37	Very low	34.3	Very low	153.4 Å²	153.4	127.5 Å²	127.5	72%	0.717	71%	0.71	S	S	*	*			trans	-172.6	111.4	136.3	-153.5	179.3	-162.4	0	0	112.7	H2010 E2113	E2008-H2010 IonicContact OE1-CE1 2.78Å; E2008-H2010 PolarHBondContact OE1-CE1 3.38Å; E2008-H2010 VanDerWaalsContact OE1-CE1 3.25Å; E2008-H2010 PolarHBondContact OE1-N 2.73Å; E2008-H2010 IonicContact OE1-NE2 3.47Å; E2008-E2113 VanDerWaalsContact CA-OE1 3.29Å; E2008-E2113 WeakPolarHBondContact CA-OE1 3.13Å; E2008-E2113 PolarHBondContact N-OE1 3.3Å; E2008-E2113 PolarHBondContact N-OE2 3.33Å; E2008-E2113 VanDerWaalsContact N-OE2 3.16Å
2009	K	36.9	Very low	34.6	Very low	141.4 Å²	141.4	129.8 Å²	129.8	62%	0.615	71%	0.712	S	S	*	*			trans	-177.4	78.6	141.2	-68.5	-176.3	177	153.8	0	115.7	E2007 E2113 E2115 K2116	E2007-K2009 PolarHBondContact O-N 2.86Å; E2007-K2009 WeakPolarHBondContact OE1-CE 3.27Å; E2007-K2009 IonicContact OE1-NZ 2.78Å; E2007-K2009 PolarHBondContact OE1-NZ 2.94Å; E2007-K2009 VanDerWaalsContact OE2-CE 3.28Å; E2007-K2009 WeakPolarHBondContact OE2-CE 3.26Å; E2007-K2009 IonicContact OE2-NZ 3.05Å; E2007-K2009 PolarHBondContact OE2-NZ 2.89Å; K2009-E2113 WeakPolarHBondContact CE-OE1 3.27Å; K2009-E2115 HydrophobicContact CB-CB 4.09Å; K2009-E2115 HydrophobicContact CD-CB 3.31Å; K2009-E2115 VanDerWaalsContact CD-CD 3.46Å; K2009-E2115 HydrophobicContact CD-CG 4Å; K2009-E2115 WeakPolarHBondContact CD-OE1 3.41Å; K2009-E2115 VanDerWaalsContact CE-OE1 3.29Å; K2009-E2115 WeakPolarHBondContact CE-OE1 3.29Å; K2009-E2115 HydrophobicContact CG-CB 3.5Å; K2009-E2115 VanDerWaalsContact CG-CB 3.5Å; K2009-E2115 IonicContact NZ-OE1 2.65Å; K2009-E2115 PolarHBondContact NZ-OE1 2.96Å; K2009-K2116 WeakPolarHBondContact O-CE 3.29Å; K2009-K2116 PolarHBondContact O-NZ 3.44Å; K2009-K2116 VanDerWaalsContact O-NZ 3.13Å
2010	H	36.1	Very low	35.2	Very low	159.2 Å²	159.2	124.9 Å²	124.9	74%	0.737	70%	0.699	S	S	*	*			trans	-62.1	155.3	155.1	-62.5	-70.6	0	0	0	113.9	E2008 E2115 K2116	E2008-H2010 IonicContact OE1-CE1 2.78Å; E2008-H2010 PolarHBondContact OE1-CE1 3.38Å; E2008-H2010 VanDerWaalsContact OE1-CE1 3.25Å; E2008-H2010 PolarHBondContact OE1-N 2.73Å; E2008-H2010 IonicContact OE1-NE2 3.47Å; H2010-E2115 PolarHBondContact CD2-O 3.46Å; H2010-K2116 HydrophobicContact CB-CB 4.2Å; H2010-K2116 HydrophobicContact CB-CD 4.43Å; H2010-K2116 WeakPolarHBondContact O-CD 3.22Å; H2010-K2116 PolarHBondContact O-NZ 2.83Å
2011	V	34.8	Very low	35.5	Very low	109.4 Å²	109.4	128.7 Å²	128.7	66%	0.663	70%	0.701	S	S	*	*				-155.1	134.3	121.9	-174.7	0	0	0	0	112.9	F2013 K2116 Q2118	V2011-F2013 HydrophobicContact CB-CD2 4.04Å; V2011-F2013 HydrophobicContact CB-CE2 4Å; V2011-F2013 HydrophobicContact CG1-CD2 3.84Å; V2011-F2013 HydrophobicContact CG1-CE2 3.71Å; V2011-F2013 VanDerWaalsContact O-CD2 3.28Å; V2011-F2013 WeakPolarHBondContact O-CD2 3.27Å; V2011-F2013 VanDerWaalsContact O-CE2 3.31Å; V2011-F2013 WeakPolarHBondContact O-CE2 3.44Å; V2011-K2116 HydrophobicContact CB-CB 3.63Å; V2011-K2116 HydrophobicContact CB-CD 3.84Å; V2011-K2116 HydrophobicContact CB-CG 4.43Å; V2011-K2116 HydrophobicContact CG1-CB 4.49Å; V2011-K2116 HydrophobicContact CG2-CB 3.83Å; V2011-K2116 VanDerWaalsContact O-CD 3.25Å; V2011-K2116 WeakPolarHBondContact O-CD 3.21Å; V2011-K2116 PolarHBondContact O-NZ 3.15Å; V2011-Q2118 HydrophobicContact CG1-CB 3.96Å
2012	G	34.8	Very low	36.1	Very low	62.4 Å²	62.4	131.2 Å²	131.2	64%	0.643	70%	0.699	S	S	*	*			trans	-128	140.9	167.2	0	0	0	0	0	112.1
2013	F	34.7	Very low	36.5	Very low	150 Å²	150	135.4 Å²	135.4	66%	0.658	71%	0.705	S	S	*	*			trans	-130.1	136.3	155.5	-69.9	-109.6	0	0	0	113.4	S1888 R1889 V2011 Q2118 V2120	S1888-F2013 WeakPolarHBondContact O-CD1 3.11Å; S1888-F2013 WeakPolarHBondContact O-CE1 3.4Å; R1889-F2013 HydrophobicContact CB-CB 4.35Å; R1889-F2013 HydrophobicContact CB-CD1 3.62Å; R1889-F2013 HydrophobicContact CB-CD2 3.9Å; R1889-F2013 HydrophobicContact CB-CE1 3.66Å; R1889-F2013 HydrophobicContact CB-CE2 3.97Å; R1889-F2013 HydrophobicContact CB-CG 3.72Å; R1889-F2013 HydrophobicContact CB-CZ 3.84Å; R1889-F2013 VanDerWaalsContact CD-CD2 3.47Å; R1889-F2013 HydrophobicContact CG-CB 4.36Å; R1889-F2013 HydrophobicContact CG-CD1 4.27Å; R1889-F2013 HydrophobicContact CG-CD2 3.61Å; R1889-F2013 HydrophobicContact CG-CE1 4.42Å; R1889-F2013 HydrophobicContact CG-CE2 3.83Å; R1889-F2013 HydrophobicContact CG-CG 3.84Å; R1889-F2013 HydrophobicContact CG-CZ 4.22Å; V2011-F2013 HydrophobicContact CB-CD2 4.04Å; V2011-F2013 HydrophobicContact CB-CE2 4Å; V2011-F2013 HydrophobicContact CG1-CD2 3.84Å; V2011-F2013 HydrophobicContact CG1-CE2 3.71Å; V2011-F2013 VanDerWaalsContact O-CD2 3.28Å; V2011-F2013 WeakPolarHBondContact O-CD2 3.27Å; V2011-F2013 VanDerWaalsContact O-CE2 3.31Å; V2011-F2013 WeakPolarHBondContact O-CE2 3.44Å; F2013-Q2118 HydrophobicContact CD2-CB 3.68Å; F2013-Q2118 HydrophobicContact CD2-CG 4.07Å; F2013-Q2118 HydrophobicContact CE2-CB 3.63Å; F2013-Q2118 HydrophobicContact CE2-CG 4.31Å; F2013-Q2118 WeakPolarHBondContact CE2-O 3.05Å; F2013-Q2118 WeakPolarHBondContact CZ-O 3.38Å; F2013-V2120 HydrophobicContact CB-CG2 3.66Å; F2013-V2120 HydrophobicContact CD1-CB 3.64Å; F2013-V2120 HydrophobicContact CD1-CG2 3.26Å; F2013-V2120 HydrophobicContact CD2-CG2 4.04Å; F2013-V2120 HydrophobicContact CE1-CB 3.84Å; F2013-V2120 HydrophobicContact CE1-CG2 3.81Å; F2013-V2120 HydrophobicContact CG-CB 4.28Å; F2013-V2120 HydrophobicContact CG-CG2 3.38Å; F2013-V2120 HydrophobicContact CZ-CG2 4.41Å
2014	S	34.9	Very low	36.9	Very low	106.8 Å²	106.8	130.7 Å²	130.7	75%	0.747	71%	0.706	S	S	*	*			trans	-135.6	132.9	138.5	-10.8	0	0	0	0	112	E1890	E1890-S2014 VanDerWaalsContact OE2-CA 3.23Å; E1890-S2014 WeakPolarHBondContact OE2-CA 3.04Å; E1890-S2014 PolarHBondContact OE2-N 3.11Å
2015	L	35.1	Very low	37.2	Very low	134.2 Å²	134.2	130.2 Å²	130.2	70%	0.703	71%	0.708	S	S	*	*				23.3	124.3	108.8	-84	167	0	0	0	112.1	E1890	E1890-L2015 HydrophobicContact CG-CG 4.24Å; E1890-L2015 WeakPolarHBondContact OE1-CA 3.22Å; E1890-L2015 WeakPolarHBondContact OE1-CG 3.31Å; E1890-L2015 PolarHBondContact OE1-N 2.89Å
2016	D	35.9	Very low	37.5	Very low	129.8 Å²	129.8	129.4 Å²	129.4	69%	0.694	71%	0.709	S	S	*	*				-145.5	165.1	106.8	-149.4	0.3	0	0	0	112
2017	V	39.7	Very low	37.6	Very low	103.4 Å²	103.4	131.4 Å²	131.4	63%	0.627	71%	0.711	S	S	*	*			trans	69	98.7	151.1	-173.6	0	0	0	0	114.9	E2019	V2017-E2019 HydrophobicContact CG1-CB 3.69Å; V2017-E2019 HydrophobicContact CG1-CG 4.18Å; V2017-E2019 PolarHBondContact O-N 3.36Å; V2017-E2019 VanDerWaalsContact O-N 3.12Å
2018	G	35.2	Very low	37.9	Very low	74.2 Å²	74.2	133.1 Å²	133.1	77%	0.765	72%	0.716	S	S	*	*			trans	-168.9	75.3	151.6	0	0	0	0	0	115.4	I2020	G2018-I2020 PolarHBondContact O-N 3.09Å; G2018-I2020 VanDerWaalsContact O-N 3.08Å
2019	E	39.9	Very low	37.9	Very low	159.6 Å²	159.6	136.7 Å²	136.7	75%	0.746	72%	0.723	S	S	*	*			trans	-105.8	120.1	174.7	-86.3	-157.5	170.1	0	0	113.6	V2017 K2022	V2017-E2019 HydrophobicContact CG1-CB 3.69Å; V2017-E2019 HydrophobicContact CG1-CG 4.18Å; V2017-E2019 PolarHBondContact O-N 3.36Å; V2017-E2019 VanDerWaalsContact O-N 3.12Å; E2019-K2022 IonicContact OE2-NZ 2.67Å
2020	I	41.3	Very low	38	Very low	115 Å²	115	140.8 Å²	140.8	59%	0.59	73%	0.734	S	S	*	*			trans	102.7	109.1	133.7	50.2	149.9	0	0	0	116.8	G2018 K2022	G2018-I2020 PolarHBondContact O-N 3.09Å; G2018-I2020 VanDerWaalsContact O-N 3.08Å; I2020-K2022 HydrophobicContact CB-CD 3.74Å; I2020-K2022 HydrophobicContact CB-CG 3.92Å; I2020-K2022 VanDerWaalsContact CB-NZ 3.35Å; I2020-K2022 HydrophobicContact CD1-CD 4.1Å; I2020-K2022 HydrophobicContact CG1-CD 4.33Å; I2020-K2022 HydrophobicContact CG2-CD 3.97Å; I2020-K2022 HydrophobicContact CG2-CG 4.01Å; I2020-K2022 VanDerWaalsContact CG2-NZ 3.32Å; I2020-K2022 PolarHBondContact O-N 2.86Å; I2020-K2022 PolarHBondContact O-NZ 2.62Å
2021	E	37.7	Very low	38.1	Very low	138.4 Å²	138.4	136.7 Å²	136.7	65%	0.647	74%	0.736	S	S	*	*				-32.5	120	127.8	-80.9	-140.1	121.1	0	0	114.8	K2023	E2021-K2023 PolarHBondContact O-N 2.85Å; E2021-K2023 IonicContact OE1-NZ 3.17Å; E2021-K2023 PolarHBondContact OE1-NZ 3.17Å; E2021-K2023 IonicContact OE2-NZ 3.05Å; E2021-K2023 PolarHBondContact OE2-NZ 2.88Å
2022	K	43.1	Very low	38.4	Very low	154 Å²	154	141.6 Å²	141.6	67%	0.67	74%	0.742	S	S	*	*				-177	92.6	118.4	-76.8	162.8	-170.6	146.5	0	114.8	E2019 I2020	E2019-K2022 IonicContact OE2-NZ 2.67Å; I2020-K2022 HydrophobicContact CB-CD 3.74Å; I2020-K2022 HydrophobicContact CB-CG 3.92Å; I2020-K2022 VanDerWaalsContact CB-NZ 3.35Å; I2020-K2022 HydrophobicContact CD1-CD 4.1Å; I2020-K2022 HydrophobicContact CG1-CD 4.33Å; I2020-K2022 HydrophobicContact CG2-CD 3.97Å; I2020-K2022 HydrophobicContact CG2-CG 4.01Å; I2020-K2022 VanDerWaalsContact CG2-NZ 3.32Å; I2020-K2022 PolarHBondContact O-N 2.86Å; I2020-K2022 PolarHBondContact O-NZ 2.62Å
2023	K	39.2	Very low	38.6	Very low	181.8 Å²	181.8	149.9 Å²	149.9	79%	0.79	75%	0.754	S	S	*	*			trans	-158.5	90.4	136.6	-73.6	175.1	-168.7	152.2	0	115.4	E2021 K2025	E2021-K2023 PolarHBondContact O-N 2.85Å; E2021-K2023 IonicContact OE1-NZ 3.17Å; E2021-K2023 PolarHBondContact OE1-NZ 3.17Å; E2021-K2023 IonicContact OE2-NZ 3.05Å; E2021-K2023 PolarHBondContact OE2-NZ 2.88Å; K2023-K2025 PolarHBondContact O-N 3.12Å
2024	G	39.6	Very low	38.9	Very low	75.2 Å²	75.2	147.8 Å²	147.8	78%	0.775	76%	0.758	S	S	*	*			trans	-64	108.8	136.7	0	0	0	0	0	114.3	G2026	G2024-G2026 VanDerWaalsContact C-N 3.32Å; G2024-G2026 PolarHBondContact O-N 3.01Å
2025	K	38.6	Very low	39.1	Very low	194.8 Å²	194.8	152.6 Å²	152.6	85%	0.847	77%	0.766	S	S	*	*			trans	-101.3	127.7	161.8	-66.4	166.6	-177.8	168.3	0	110.6	K2023 K2027 R2276	K2023-K2025 PolarHBondContact O-N 3.12Å; K2025-K2027 VanDerWaalsContact C-N 3.34Å; K2025-K2027 PolarHBondContact O-N 3.39Å; K2025-R2276 PolarHBondContact NZ-O 3.15Å
2026	G	40.1	Very low	39.3	Very low	73.6 Å²	73.6	154.8 Å²	154.8	76%	0.759	77%	0.77	S	S	*	*				-136.7	105	128.9	0	0	0	0	0	111.3	G2024 K2028	G2024-G2026 VanDerWaalsContact C-N 3.32Å; G2024-G2026 PolarHBondContact O-N 3.01Å; G2026-K2028 PolarHBondContact O-N 3.14Å
2027	K	40.4	Very low	39.3	Very low	197.4 Å²	197.4	155.2 Å²	155.2	86%	0.858	77%	0.767	S	S	*	*				-63.1	135	118.3	-76.7	178.1	-179.5	174.4	0	113.9	K2025	K2025-K2027 VanDerWaalsContact C-N 3.34Å; K2025-K2027 PolarHBondContact O-N 3.39Å
2028	K	40	Very low	39.1	Very low	181.4 Å²	181.4	160.6 Å²	160.6	79%	0.789	78%	0.776	S	S	*	*			trans	169.2	114	163.1	-82	169.1	-175.4	-178.8	0	113.1	G2026	G2026-K2028 PolarHBondContact O-N 3.14Å
2029	R	38.3	Very low	39.3	Very low	228 Å²	228	166.8 Å²	166.8	86%	0.86	78%	0.777	S	S	*	*				101.2	127.6	108	-77.3	-177.1	165.6	-177.1	-4.1	113.9
2030	R	39	Very low	39.2	Very low	227.2 Å²	227.2	170.4 Å²	170.4	86%	0.857	78%	0.784	S	S	*	*			trans	23.3	130.7	136.8	-64.8	172.7	170.8	-179	-4.5	111.7	R2032	R2030-R2032 HydrophobicContact CB-CG 4.36Å
2031	G	37.8	Very low	39	Very low	74.2 Å²	74.2	168.6 Å²	168.6	77%	0.765	79%	0.793	S	S	*	*			cis	159.6	95.4	35.1	0	0	0	0	0	112.1	R2033	G2031-R2033 PolarHBondContact O-N 3.02Å
2032	R	41.2	Very low	38.9	Very low	211.4 Å²	211.4	172.5 Å²	172.5	80%	0.798	80%	0.802	S	S	*	*			trans	-84.3	124.8	169	-53.4	174.9	175.2	-176.5	-4.7	111.1	R2030	R2030-R2032 HydrophobicContact CB-CG 4.36Å
2033	R	38.5	Very low	38.6	Very low	237.8 Å²	237.8	173.6 Å²	173.6	90%	0.897	81%	0.807	S	S	*	*			trans	-52.3	100.4	133.6	-71.6	-174.9	174.4	-179.2	-2.9	111.8	G2031	G2031-R2033 PolarHBondContact O-N 3.02Å
2034	S	40.4	Very low	38.6	Very low	106.2 Å²	106.2	172 Å²	172	74%	0.743	80%	0.802	S	S	*	*			trans	-85.6	148.1	154	53.9	0	0	0	0	109.1	K2036	S2034-K2036 VanDerWaalsContact CB-N 3.34Å; S2034-K2036 PolarHBondContact OG-N 3.19Å
2035	K	39.9	Very low	38.4	Very low	206.6 Å²	206.6	171.8 Å²	171.8	90%	0.898	80%	0.8	S	S	*	*			trans	15.3	105.4	139	-75.1	-170.6	175.1	-175.2	0	114.2
2036	K	40	Very low	38.2	Very low	180.8 Å²	180.8	171.3 Å²	171.3	79%	0.786	80%	0.801	S	S	*	*			trans	-125.3	110.3	151.1	-114.6	179.9	177.5	-177.2	0	107.6	D1830 C1832 S1834 S2034	D1830-K2036 IonicContact OD1-NZ 2.76Å; C1832-K2036 HydrophobicContact CB-CD 4.01Å; C1832-K2036 WeakPolarHBondContact SG-CE 3.38Å; C1832-K2036 PolarHBondContact SG-NZ 2.87Å; S1834-K2036 VanDerWaalsContact CB-O 3.24Å; S1834-K2036 WeakPolarHBondContact CB-O 3.19Å; S1834-K2036 PolarHBondContact OG-O 3.47Å; S2034-K2036 VanDerWaalsContact CB-N 3.34Å; S2034-K2036 PolarHBondContact OG-N 3.19Å
2037	E	35	Very low	38	Very low	138.2 Å²	138.2	176.5 Å²	176.5	65%	0.646	81%	0.806	S	S	*	*				60.5	115.3	71	-167.8	174.5	144.3	0	0	111.3	C1832 R2039	C1832-E2037 HydrophobicContact CB-CB 4.48Å; C1832-E2037 VanDerWaalsContact CB-CD 3.42Å; C1832-E2037 WeakPolarHBondContact CB-OE1 3.06Å; C1832-E2037 VanDerWaalsContact CB-OE2 3.31Å; C1832-E2037 WeakPolarHBondContact CB-OE2 2.82Å; C1832-E2037 PolarHBondContact SG-OE2 2.91Å; E2037-R2039 PolarHBondContact O-N 3.12Å; E2037-R2039 WeakPolarHBondContact OE1-CG 3.07Å; E2037-R2039 IonicContact OE1-CZ 3.06Å; E2037-R2039 IonicContact OE1-NE 2.73Å; E2037-R2039 PolarHBondContact OE1-NE 2.72Å; E2037-R2039 IonicContact OE1-NH2 3.38Å; E2037-R2039 PolarHBondContact OE1-NH2 2.8Å
2038	R	36.7	Very low	37.8	Very low	215.8 Å²	215.8	173.5 Å²	173.5	81%	0.814	80%	0.799	S	S	*	*			trans	-39.1	120.7	159.5	-84.7	174	72.5	162.2	1.4	111.8
2039	R	39.1	Very low	37.7	Very low	205.4 Å²	205.4	171.8 Å²	171.8	78%	0.775	79%	0.793	S	S	*	*				-124.6	126.7	122.6	-76.6	174.8	175.4	-178.7	-3.3	108.3	Y1833 E2037 G2041	Y1833-R2039 HydrophobicContact CD1-CG 4.11Å; Y1833-R2039 HydrophobicContact CE1-CG 4.02Å; Y1833-R2039 VanDerWaalsContact CE2-NH2 3.25Å; Y1833-R2039 PolarHBondContact OH-NH2 3.27Å; Y1833-R2039 VanDerWaalsContact OH-NH2 3.09Å; E2037-R2039 PolarHBondContact O-N 3.12Å; E2037-R2039 WeakPolarHBondContact OE1-CG 3.07Å; E2037-R2039 IonicContact OE1-CZ 3.06Å; E2037-R2039 IonicContact OE1-NE 2.73Å; E2037-R2039 PolarHBondContact OE1-NE 2.72Å; E2037-R2039 IonicContact OE1-NH2 3.38Å; E2037-R2039 PolarHBondContact OE1-NH2 2.8Å; R2039-G2041 VanDerWaalsContact C-N 3.26Å; R2039-G2041 PolarHBondContact O-N 2.84Å; R2039-G2041 VanDerWaalsContact O-N 3.08Å
2040	R	36.4	Very low	37.4	Very low	235.8 Å²	235.8	167.5 Å²	167.5	89%	0.89	79%	0.788	S	S	*	*				15.8	120.1	115.2	-74.9	-176.3	169.3	-179.6	-4.3	110.7	R2042	R2040-R2042 PolarHBondContact O-N 2.92Å; R2040-R2042 VanDerWaalsContact O-N 3.11Å
2041	G	37.5	Very low	37.4	Very low	76.6 Å²	76.6	161.7 Å²	161.7	79%	0.79	78%	0.78	S	S	*	*			trans	130.1	85.6	156.4	0	0	0	0	0	114.1	R2039 K2043	R2039-G2041 VanDerWaalsContact C-N 3.26Å; R2039-G2041 PolarHBondContact O-N 2.84Å; R2039-G2041 VanDerWaalsContact O-N 3.08Å; G2041-K2043 VanDerWaalsContact C-N 3.31Å; G2041-K2043 PolarHBondContact O-N 3.39Å
2042	R	36.6	Very low	37.4	Very low	220 Å²	220	164 Å²	164	83%	0.83	78%	0.781	S	S	*	*			trans	-126.1	132.8	140.7	-127.5	-172.2	-179.5	-179.9	-0.7	108.8	R2040 E2044	R2040-R2042 PolarHBondContact O-N 2.92Å; R2040-R2042 VanDerWaalsContact O-N 3.11Å; R2042-E2044 WeakPolarHBondContact CD-OE1 3.42Å; R2042-E2044 HydrophobicContact CG-CG 4.02Å; R2042-E2044 IonicContact CZ-OE1 2.72Å; R2042-E2044 IonicContact CZ-OE2 2.76Å; R2042-E2044 VanDerWaalsContact CZ-OE2 3.3Å; R2042-E2044 VanDerWaalsContact NE-CD 3.31Å; R2042-E2044 IonicContact NE-OE1 3.48Å; R2042-E2044 PolarHBondContact NE-OE1 3.21Å; R2042-E2044 VanDerWaalsContact NE-OE1 3.14Å; R2042-E2044 IonicContact NE-OE2 2.75Å; R2042-E2044 PolarHBondContact NE-OE2 3.11Å; R2042-E2044 VanDerWaalsContact NE-OE2 3.16Å; R2042-E2044 IonicContact NH1-OE1 2.91Å; R2042-E2044 PolarHBondContact NH1-OE1 3.17Å; R2042-E2044 VanDerWaalsContact NH2-CD 3.33Å; R2042-E2044 IonicContact NH2-OE1 3.3Å; R2042-E2044 PolarHBondContact NH2-OE1 3.47Å; R2042-E2044 IonicContact NH2-OE2 2.85Å; R2042-E2044 PolarHBondContact NH2-OE2 2.75Å
2043	K	37.3	Very low	36.9	Very low	178.4 Å²	178.4	159.4 Å²	159.4	78%	0.776	78%	0.78	S	S	*	*			trans	-134.1	142.1	150.7	-84.1	-176.5	155.6	-142.5	0	107.5	G2041	G2041-K2043 VanDerWaalsContact C-N 3.31Å; G2041-K2043 PolarHBondContact O-N 3.39Å
2044	E	39.2	Very low	36.8	Very low	147.2 Å²	147.2	153.4 Å²	153.4	69%	0.688	77%	0.772	S	S	*	*			trans	174.7	145.5	162.3	-77.4	126.9	-144.9	0	0	110.8	R2042	R2042-E2044 WeakPolarHBondContact CD-OE1 3.42Å; R2042-E2044 HydrophobicContact CG-CG 4.02Å; R2042-E2044 IonicContact CZ-OE1 2.72Å; R2042-E2044 IonicContact CZ-OE2 2.76Å; R2042-E2044 VanDerWaalsContact CZ-OE2 3.3Å; R2042-E2044 VanDerWaalsContact NE-CD 3.31Å; R2042-E2044 IonicContact NE-OE1 3.48Å; R2042-E2044 PolarHBondContact NE-OE1 3.21Å; R2042-E2044 VanDerWaalsContact NE-OE1 3.14Å; R2042-E2044 IonicContact NE-OE2 2.75Å; R2042-E2044 PolarHBondContact NE-OE2 3.11Å; R2042-E2044 VanDerWaalsContact NE-OE2 3.16Å; R2042-E2044 IonicContact NH1-OE1 2.91Å; R2042-E2044 PolarHBondContact NH1-OE1 3.17Å; R2042-E2044 VanDerWaalsContact NH2-CD 3.33Å; R2042-E2044 IonicContact NH2-OE1 3.3Å; R2042-E2044 PolarHBondContact NH2-OE1 3.47Å; R2042-E2044 IonicContact NH2-OE2 2.85Å; R2042-E2044 PolarHBondContact NH2-OE2 2.75Å
2045	G	34.7	Very low	36.4	Very low	72 Å²	72	159.5 Å²	159.5	74%	0.742	78%	0.779	S	S	*	*			trans	85	127.6	179.2	0	0	0	0	0	112.4
2046	E	35	Very low	36.2	Very low	183.8 Å²	183.8	157.3 Å²	157.3	86%	0.859	78%	0.776	S	S	*	*			cis	94.7	123.6	23.6	-158.8	170.3	-165.4	0	0	108.8
2047	E	35.8	Very low	35.8	Very low	182.8 Å²	182.8	153.6 Å²	153.6	85%	0.854	77%	0.773	S	S	*	*				-123.9	150.6	119.3	-71.1	170.2	145.1	0	0	111.6
2048	D	34.9	Very low	36	Very low	134 Å²	134	157 Å²	157	72%	0.717	78%	0.78	S	S	*	*				-160.6	148.4	100.4	-130.7	6	0	0	0	112.9
2049	Q	37.7	Very low	36	Very low	145 Å²	145	153.8 Å²	153.8	68%	0.678	77%	0.774	S	S	*	*				107.1	123.3	88.4	-62.9	-78.6	-17.3	0	0	115
2050	N	32	Very low	35.9	Very low	138.6 Å²	138.6	151.1 Å²	151.1	74%	0.741	77%	0.774	S	S	*	*			trans	156.5	135.5	141.3	-87.1	-59.3	0	0	0	114.8
2051	P	39.5	Very low	35.9	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	77%	0.768	S	S	*	*			trans	-94.6	166.5	167.6	36	-32.5	0	0	0	111.8
2052	P	38.9	Very low	36.1	Very low	120.8 Å²	120.8	150 Å²	150	78%	0.784	77%	0.767	S	S	*	*				-120.1	152	80.3	34.3	-21.6	0	0	0	114.6
2053	C	29.9	Very low	36.2	Very low	115.2 Å²	115.2	146.9 Å²	146.9	78%	0.778	76%	0.762	S	S	*	*			trans	-51.8	148.6	157.9	-54.6	0	0	0	0	114.3
2054	P	36.2	Very low	36.2	Very low	113.2 Å²	113.2	146.9 Å²	146.9	74%	0.735	76%	0.762	S	S	*	*			trans	-112.9	154.2	151.1	27	-14.7	0	0	0	115.3
2055	R	32.4	Very low	35.8	Very low	233.2 Å²	233.2	143.3 Å²	143.3	88%	0.88	76%	0.764	S	S	*	*			trans	-104.5	131	148.2	-74	-178.1	170.4	144.1	-2.7	113
2056	L	34.3	Very low	35.8	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	77%	0.765	S	S	*	*				113.1	135.6	98.2	-66.6	-178.2	0	0	0	112.4
2057	S	32.7	Very low	35.8	Very low	104.2 Å²	104.2	145.2 Å²	145.2	73%	0.729	76%	0.764	S	S	*	*			trans	97.3	117.5	156.1	63.2	0	0	0	0	114.6
2058	R	39.1	Very low	35.8	Very low	209.4 Å²	209.4	142.9 Å²	142.9	79%	0.79	76%	0.762	S	S	*	*				118.4	120	99.4	-158.7	176.7	177	145.4	10	113.2
2059	E	37.1	Very low	35.7	Very low	148.6 Å²	148.6	143.2 Å²	143.2	69%	0.694	76%	0.763	S	S	*	*				74.8	111.7	120.2	-86.4	174.7	-166.6	0	0	113.1
2060	L	35.7	Very low	35.7	Very low	147.4 Å²	147.4	144.4 Å²	144.4	77%	0.772	77%	0.768	S	S	*	*				-162.3	124.7	72.7	-79.6	173.9	0	0	0	111
2061	L	38.3	Very low	35.7	Very low	145.6 Å²	145.6	144.8 Å²	144.8	76%	0.762	77%	0.771	S	S	*	*			trans	50.7	132.7	135	-74.7	168.7	0	0	0	115.3
2062	D	40.2	Very low	35.3	Very low	143.8 Å²	143.8	144.6 Å²	144.6	77%	0.769	77%	0.771	S	S	*	*			trans	78.6	106.6	131.5	-81.2	-10.6	0	0	0	115.3
2063	E	38.4	Very low	35.1	Very low	155.8 Å²	155.8	146.5 Å²	146.5	73%	0.728	77%	0.774	S	S	*	*				-142.5	129	78.1	-104.4	-130	133.4	0	0	113.3
2064	K	38.2	Very low	35.3	Very low	179.2 Å²	179.2	148.2 Å²	148.2	78%	0.779	78%	0.776	S	S	*	*			trans	35.3	121.3	154.5	-50.5	-60.3	177.4	-163.2	0	116.1
2065	G	29.8	Very low	35.2	Very low	71 Å²	71	153.4 Å²	153.4	73%	0.732	78%	0.781	S	S	*	*				-171.4	137.9	128.3	0	0	0	0	0	112.6	E2067	G2065-E2067 PolarHBondContact O-N 3.4Å
2066	P	36.6	Very low	35	Very low	115.8 Å²	115.8	147 Å²	147	75%	0.752	77%	0.77	S	S	*	*			trans	-114.1	148.4	146.8	37.4	-26.1	0	0	0	113.9	V2068	P2066-V2068 VanDerWaalsContact C-N 3.29Å; P2066-V2068 PolarHBondContact O-N 2.95Å
2067	E	33.7	Very low	34.8	Very low	180.6 Å²	180.6	149.2 Å²	149.2	84%	0.844	77%	0.769	S	S	*	*			trans	45.4	98.9	148.3	-68.7	179.9	-170.4	0	0	115.1	G2065	G2065-E2067 PolarHBondContact O-N 3.4Å
2068	V	36.6	Very low	34.7	Very low	133.4 Å²	133.4	149.9 Å²	149.9	81%	0.808	77%	0.774	S	S	*	*				-130.2	128.1	127.5	-135.5	0	0	0	0	111.6	P2066	P2066-V2068 VanDerWaalsContact C-N 3.29Å; P2066-V2068 PolarHBondContact O-N 2.95Å
2069	L	32.7	Very low	34.3	Very low	141.4 Å²	141.4	145.6 Å²	145.6	74%	0.74	77%	0.771	S	S	*	*			trans	99.7	112.8	146	-78.3	169.1	0	0	0	114.8
2070	Q	37.5	Very low	34.1	Very low	168.4 Å²	168.4	143.8 Å²	143.8	79%	0.787	77%	0.772	S	S	*	*			trans	75.1	113.4	133.2	-74	169.1	-0.6	0	0	114.6	S2072	Q2070-S2072 PolarHBondContact O-N 2.62Å
2071	D	32.9	Very low	33.7	Very low	148.2 Å²	148.2	142 Å²	142	79%	0.793	77%	0.772	S	S	*	*				-76.3	126.2	85.2	-81.2	-41.6	0	0	0	114.2
2072	S	30.7	Very low	33.3	Very low	101 Å²	101	137.9 Å²	137.9	71%	0.706	77%	0.765	S	S	*	*			trans	-152.3	99.6	135.4	19.1	0	0	0	0	113.9	Q2070 D2074	Q2070-S2072 PolarHBondContact O-N 2.62Å; S2072-D2074 VanDerWaalsContact C-N 3.27Å; S2072-D2074 PolarHBondContact O-N 3.21Å
2073	L	34.6	Very low	32.6	Very low	160.6 Å²	160.6	136.2 Å²	136.2	84%	0.841	76%	0.763	S	S	*	*			trans	-59.5	91	166.7	-65.8	177.2	0	0	0	112.6	R2075	L2073-R2075 VanDerWaalsContact C-N 3.33Å; L2073-R2075 PolarHBondContact O-N 3.12Å
2074	D	33.6	Very low	32.3	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	76%	0.76	S	S	*	*			trans	-74.6	111.2	145	-94.9	-44.9	0	0	0	111.6	S2072 C2076	S2072-D2074 VanDerWaalsContact C-N 3.27Å; S2072-D2074 PolarHBondContact O-N 3.21Å; D2074-C2076 VanDerWaalsContact C-N 3.32Å; D2074-C2076 PolarHBondContact O-N 3.39Å; D2074-C2076 PolarHBondContact OD1-SG 3.23Å; D2074-C2076 VanDerWaalsContact OD1-SG 3.37Å
2075	R	35.3	Very low	31.9	Very low	222.6 Å²	222.6	134 Å²	134	84%	0.84	76%	0.759	S	S	*	*			trans	-121.1	95.5	163.2	-155.7	175.5	-127.9	-138.7	0.6	111	L2073	L2073-R2075 VanDerWaalsContact C-N 3.33Å; L2073-R2075 PolarHBondContact O-N 3.12Å
2076	C	27.7	Very low	32	Very low	97.2 Å²	97.2	138.1 Å²	138.1	66%	0.657	76%	0.763	S	S	*	*			trans	-41.6	134	165.2	-60.5	0	0	0	0	113.5	D2074 S2078	D2074-C2076 VanDerWaalsContact C-N 3.32Å; D2074-C2076 PolarHBondContact O-N 3.39Å; D2074-C2076 PolarHBondContact OD1-SG 3.23Å; D2074-C2076 VanDerWaalsContact OD1-SG 3.37Å; C2076-S2078 PolarHBondContact O-N 2.84Å
2077	Y	29.6	Very low	31.7	Very low	207 Å²	207	138.2 Å²	138.2	81%	0.812	76%	0.762	S	S	*	*			trans	-94.1	126.8	153.6	-70.7	-88.3	0	0	0	112.2	T2079	Y2077-T2079 PolarHBondContact O-N 3.36Å
2078	S	30.4	Very low	31.5	Very low	118.6 Å²	118.6	136.5 Å²	136.5	83%	0.829	76%	0.759	S	S	*	*			trans	-139.5	93.2	166.3	-66.5	0	0	0	0	110.5	C2076	C2076-S2078 PolarHBondContact O-N 2.84Å
2079	T	31.7	Very low	31	Very low	118.8 Å²	118.8	134.9 Å²	134.9	73%	0.729	75%	0.753	S	S	*	*			trans	-122.3	144.5	139.8	-3.8	0	0	0	0	109.5	Y2077 S2081	Y2077-T2079 PolarHBondContact O-N 3.36Å; T2079-S2081 PolarHBondContact O-N 3.15Å
2080	P	32.4	Very low	30.9	Very low	111.2 Å²	111.2	133.5 Å²	133.5	72%	0.722	75%	0.754	S	S	*	*			trans	-104.7	148.3	-160.6	30.3	-20.1	0	0	0	113.3	E1613	E1613-P2080 HydrophobicContact CB-CB 4.45Å; E1613-P2080 HydrophobicContact CG-CB 4.04Å
2081	S	26.8	Very low	30.4	Very low	110.4 Å²	110.4	132.2 Å²	132.2	77%	0.772	75%	0.748	S	S	*	*			trans	157.6	127	160	64.5	0	0	0	0	114.3	E1613 T2079	E1613-S2081 VanDerWaalsContact OE1-CA 3.26Å; E1613-S2081 WeakPolarHBondContact OE1-CA 3.29Å; T2079-S2081 PolarHBondContact O-N 3.15Å
2082	G	29.9	Very low	30.3	Very low	59.6 Å²	59.6	130.5 Å²	130.5	61%	0.614	75%	0.745	S	S	*	*			trans	156.2	113	168.5	0	0	0	0	0	114.5	E1613 P2894 D2895	E1613-G2082 PolarHBondContact OE1-N 3.42Å; E1613-G2082 PolarHBondContact OE2-N 3.27Å; G2082-P2894 WeakPolarHBondContact O-CG 3.01Å; G2082-D2895 WeakPolarHBondContact CA-OD2 3.2Å
2083	C	26.3	Very low	30.2	Very low	106.4 Å²	106.4	134.8 Å²	134.8	72%	0.719	75%	0.747	S	S	*	*			trans	-99.5	160.8	139.7	-54.7	0	0	0	0	114.7	I1611 L1612 E1613 P2894 D2895	I1611-C2083 CarbonylContact C-O 3.08Å; I1611-C2083 PolarHBondContact N-O 3.33Å; L1612-C2083 WeakPolarHBondContact CA-O 3.03Å; L1612-C2083 PolarHBondContact N-O 2.98Å; E1613-C2083 WeakPolarHBondContact OE2-CA 2.59Å; E1613-C2083 PolarHBondContact OE2-N 2.69Å; C2083-P2894 VanDerWaalsContact O-CB 3.24Å; C2083-P2894 WeakPolarHBondContact O-CB 3.22Å; C2083-D2895 WeakPolarHBondContact CA-OD1 3.42Å; C2083-D2895 VanDerWaalsContact N-CB 3.25Å; C2083-D2895 PolarHBondContact N-OD1 2.64Å; C2083-D2895 VanDerWaalsContact N-OD1 3.13Å; C2083-D2895 PolarHBondContact N-OD2 2.7Å
2084	L	30.8	Very low	29.9	Very low	127.2 Å²	127.2	137 Å²	137	67%	0.666	74%	0.744	S	S	*	*			trans	133.5	127	165.5	-72.1	169.2	0	0	0	113	Y1610 I1611 L1612 D2895 L2896	Y1610-L2084 WeakPolarHBondContact O-CB 3.19Å; Y1610-L2084 WeakPolarHBondContact O-CD1 3.48Å; I1611-L2084 PolarHBondContact N-O 2.89Å; L1612-L2084 WeakPolarHBondContact CB-O 3.15Å; L1612-L2084 PolarHBondContact N-O 3.39Å; L2084-D2895 PolarHBondContact N-OD1 3.3Å; L2084-D2895 WeakPolarHBondContact O-CA 3.26Å; L2084-D2895 PolarHBondContact O-N 3.06Å; L2084-L2896 HydrophobicContact CB-CG 4.25Å; L2084-L2896 HydrophobicContact CD1-CD1 4.17Å; L2084-L2896 HydrophobicContact CD1-CD2 3.68Å; L2084-L2896 HydrophobicContact CD1-CG 3.7Å; L2084-L2896 HydrophobicContact CG-CD1 4.31Å; L2084-L2896 HydrophobicContact CG-CD2 4.47Å; L2084-L2896 HydrophobicContact CG-CG 3.95Å
2085	E	30.7	Very low	29.6	Very low	162.4 Å²	162.4	134.8 Å²	134.8	76%	0.759	74%	0.741	S	S	*	*				46.3	107.6	68.4	-81.5	171.7	-171.1	0	0	116	L1612	L1612-E2085 HydrophobicContact CD1-CG 3.91Å
2086	L	31.9	Very low	29.4	Very low	156.6 Å²	156.6	126.9 Å²	126.9	82%	0.82	72%	0.723	S	S	*	*				-142.2	112.9	128.1	-78.6	-174.5	0	0	0	111.9
2087	T	30.3	Very low	29.4	Very low	117.8 Å²	117.8	130.5 Å²	130.5	72%	0.723	73%	0.728	S	S	*	*			trans	-2.6	110.3	141.4	-29.9	0	0	0	0	114.2	S2089	T2087-S2089 VanDerWaalsContact CG2-CB 3.5Å; T2087-S2089 WeakPolarHBondContact CG2-OG 3.3Å; T2087-S2089 PolarHBondContact O-N 3.02Å
2088	D	29	Very low	29.3	Very low	146.6 Å²	146.6	128.9 Å²	128.9	78%	0.784	72%	0.722	S	S	*	*			trans	50.2	108.1	144.7	-81.3	-20.9	0	0	0	114.6	C2090	D2088-C2090 PolarHBondContact O-N 3.46Å
2089	S	27.3	Very low	29.4	Very low	99.2 Å²	99.2	129.8 Å²	129.8	69%	0.694	72%	0.716	S	S	*	*			trans	-136.9	126.7	130.9	63.1	0	0	0	0	111.4	T2087 Q2091	T2087-S2089 VanDerWaalsContact CG2-CB 3.5Å; T2087-S2089 WeakPolarHBondContact CG2-OG 3.3Å; T2087-S2089 PolarHBondContact O-N 3.02Å; S2089-Q2091 PolarHBondContact O-N 3.29Å
2090	C	30	Very low	29.3	Very low	112 Å²	112	130.3 Å²	130.3	76%	0.757	71%	0.713	S	S	*	*			trans	-67.5	105.6	153.8	-64.8	0	0	0	0	114.5	D2088	D2088-C2090 PolarHBondContact O-N 3.46Å
2091	Q	27.6	Very low	29.4	Very low	141.4 Å²	141.4	132.2 Å²	132.2	66%	0.661	71%	0.712	S	S	*	*			trans	-98	122.9	135.5	-70.7	-67.1	-28	0	0	112	S2089 Y2093 E2535 D2536	S2089-Q2091 PolarHBondContact O-N 3.29Å; Q2091-Y2093 PolarHBondContact O-N 3.39Å; Q2091-Y2093 VanDerWaalsContact O-N 3.15Å; Q2091-Y2093 VanDerWaalsContact OE1-CB 3.3Å; Q2091-E2535 HydrophobicContact CB-CB 4.38Å; Q2091-E2535 HydrophobicContact CB-CG 4.04Å; Q2091-E2535 HydrophobicContact CG-CB 4.22Å; Q2091-E2535 HydrophobicContact CG-CG 4Å; Q2091-D2536 PolarHBondContact NE2-OD2 2.84Å; Q2091-D2536 VanDerWaalsContact OE1-C 3.25Å; Q2091-D2536 VanDerWaalsContact OE1-CA 3.25Å; Q2091-D2536 VanDerWaalsContact OE1-CB 3.31Å; Q2091-D2536 PolarHBondContact OE1-O 2.88Å
2092	P	30.8	Very low	29.6	Very low	112.8 Å²	112.8	134.1 Å²	134.1	73%	0.732	71%	0.709	S	S	*	*				-119.9	116.2	123	22	-11.2	0	0	0	114.3	R2094 D2536	P2092-R2094 PolarHBondContact O-N 3.16Å; P2092-R2094 VanDerWaalsContact O-N 3.15Å; P2092-D2536 HydrophobicContact CB-CB 4.05Å; P2092-D2536 VanDerWaalsContact CD-CB 3.47Å; P2092-D2536 HydrophobicContact CG-CB 4.03Å
2093	Y	27.3	Very low	29.9	Very low	189.6 Å²	189.6	139.1 Å²	139.1	74%	0.744	72%	0.716	S	S	*	*			trans	-56	117.6	151.9	-118.8	-104.4	0	0	0	111.2	Q2091 S2095 E2532	Q2091-Y2093 PolarHBondContact O-N 3.39Å; Q2091-Y2093 VanDerWaalsContact O-N 3.15Å; Q2091-Y2093 VanDerWaalsContact OE1-CB 3.3Å; Y2093-S2095 PolarHBondContact O-N 2.72Å; Y2093-E2532 HydrophobicContact CE1-CB 4.1Å; Y2093-E2532 HydrophobicContact CE1-CG 4.2Å
2094	R	27.7	Very low	30	Very low	207.6 Å²	207.6	139 Å²	139	78%	0.783	72%	0.716	S	S	*	*			trans	156.6	82.6	145.1	-97.6	-133.5	174	177.1	1.4	115.5	P2092 A2096 E2534	P2092-R2094 PolarHBondContact O-N 3.16Å; P2092-R2094 VanDerWaalsContact O-N 3.15Å; R2094-A2096 PolarHBondContact O-N 3.46Å; R2094-A2096 VanDerWaalsContact O-N 3.08Å; R2094-E2534 PolarHBondContact N-O 3.43Å
2095	S	28.6	Very low	30.3	Very low	106.6 Å²	106.6	139.2 Å²	139.2	75%	0.745	72%	0.722	S	S	*	*			trans	-83.9	99.9	144.7	55.5	0	0	0	0	110.7	Y2093	Y2093-S2095 PolarHBondContact O-N 2.72Å
2096	A	30.3	Very low	30.3	Very low	55.2 Å²	55.2	134.8 Å²	134.8	46%	0.456	72%	0.72	S	S	.	*				-137.4	103.1	122.6	0	0	0	0	0	108.2	V1411 R2094 K2531 G2533	V1411-A2096 HydrophobicContact CG2-CB 3.72Å; R2094-A2096 PolarHBondContact O-N 3.46Å; R2094-A2096 VanDerWaalsContact O-N 3.08Å; A2096-K2531 WeakPolarHBondContact CB-O 2.97Å; A2096-G2533 WeakPolarHBondContact CB-O 3.28Å; A2096-G2533 PolarHBondContact N-O 2.84Å; A2096-G2533 VanDerWaalsContact N-O 3.16Å
2097	F	27.6	Very low	30.6	Very low	173 Å²	173	134.9 Å²	134.9	76%	0.759	72%	0.721	S	S	*	*				-179.4	136.7	124.3	-91.7	-79.8	0	0	0	110.4	I2099 R2530 K2531 E2532	F2097-I2099 HydrophobicContact CD1-CD1 4.49Å; F2097-R2530 VanDerWaalsContact CB-CA 3.5Å; F2097-K2531 VanDerWaalsContact C-C 3.43Å; F2097-K2531 VanDerWaalsContact CB-O 3.26Å; F2097-K2531 WeakPolarHBondContact CB-O 3.41Å; F2097-K2531 CarbonylContact O-C 3.22Å; F2097-K2531 WeakPolarHBondContact O-CA 3.4Å; F2097-K2531 PolarHBondContact O-N 2.78Å; F2097-E2532 WeakPolarHBondContact O-CA 3.28Å; F2097-E2532 VanDerWaalsContact O-CG 3.32Å; F2097-E2532 WeakPolarHBondContact O-CG 3.25Å; F2097-E2532 PolarHBondContact O-N 3.16Å
2098	Y	27.4	Very low	30.9	Very low	174.8 Å²	174.8	133.7 Å²	133.7	69%	0.685	72%	0.722	S	S	*	*			trans	-111.6	143.6	176.4	-72	-109.6	0	0	0	112.8	K1407 L2100 R2530 K2531 E2532	K1407-Y2098 PolarHBondContact O-OH 3.04Å; K1407-Y2098 VanDerWaalsContact O-OH 3.1Å; Y2098-L2100 CarbonylContact C-O 3.12Å; Y2098-L2100 WeakPolarHBondContact CB-O 3.38Å; Y2098-L2100 VanDerWaalsContact O-CB 3.29Å; Y2098-L2100 WeakPolarHBondContact O-CB 2.99Å; Y2098-R2530 CarbonylContact C-O 3.06Å; Y2098-R2530 VanDerWaalsContact C-O 3.31Å; Y2098-R2530 VanDerWaalsContact N-CG 3.25Å; Y2098-R2530 WeakPolarHBondContact O-CB 3.44Å; Y2098-R2530 WeakPolarHBondContact O-CD 3.11Å; Y2098-R2530 WeakPolarHBondContact O-CG 3.36Å; Y2098-R2530 PolarHBondContact O-NH1 3.49Å; Y2098-K2531 VanDerWaalsContact N-CA 3.34Å; Y2098-E2532 WeakPolarHBondContact CA-OE1 2.97Å; Y2098-E2532 WeakPolarHBondContact CB-OE1 3.04Å; Y2098-E2532 WeakPolarHBondContact CD1-OE1 3.29Å
2099	I	33.2	Very low	31.2	Very low	136.8 Å²	136.8	132.5 Å²	132.5	70%	0.702	72%	0.72	S	S	*	*			trans	-128.2	123.2	166.8	-69.2	161.5	0	0	0	107.1	F2097 Q2102 R2530 K2531	F2097-I2099 HydrophobicContact CD1-CD1 4.49Å; I2099-Q2102 HydrophobicContact CG2-CG 3.76Å; I2099-R2530 VanDerWaalsContact CA-O 3.28Å; I2099-R2530 WeakPolarHBondContact CA-O 3.29Å; I2099-R2530 WeakPolarHBondContact CB-O 2.94Å; I2099-R2530 WeakPolarHBondContact CD1-O 3.32Å; I2099-R2530 HydrophobicContact CG1-CB 4.14Å; I2099-R2530 WeakPolarHBondContact CG1-O 3.12Å; I2099-R2530 PolarHBondContact N-O 3.21Å; I2099-K2531 PolarHBondContact O-NZ 3.42Å
2100	L	29.6	Very low	31.7	Very low	128.2 Å²	128.2	134.7 Å²	134.7	67%	0.671	72%	0.724	S	S	*	*				68.9	112.3	76.7	-140.4	90	0	0	0	113.9	Y2098 Q2102	Y2098-L2100 CarbonylContact C-O 3.12Å; Y2098-L2100 WeakPolarHBondContact CB-O 3.38Å; Y2098-L2100 VanDerWaalsContact O-CB 3.29Å; Y2098-L2100 WeakPolarHBondContact O-CB 2.99Å; L2100-Q2102 HydrophobicContact CD1-CB 4.38Å; L2100-Q2102 HydrophobicContact CD1-CG 4.4Å; L2100-Q2102 HydrophobicContact CD2-CG 3.87Å
2101	E	34.9	Very low	32.1	Very low	151.2 Å²	151.2	136.5 Å²	136.5	71%	0.707	72%	0.723	S	S	*	*				-152.5	122	112.7	-149.3	164.2	-134	0	0	113.1	Q2103	E2101-Q2103 PolarHBondContact O-N 3.17Å
2102	Q	30.8	Very low	32.7	Very low	151.2 Å²	151.2	136.4 Å²	136.4	71%	0.707	73%	0.727	S	S	*	*			trans	-78.4	93.9	149.2	-68.6	-104.3	94.3	0	0	111.4	I2099 L2100 C2104	I2099-Q2102 HydrophobicContact CG2-CG 3.76Å; L2100-Q2102 HydrophobicContact CD1-CB 4.38Å; L2100-Q2102 HydrophobicContact CD1-CG 4.4Å; L2100-Q2102 HydrophobicContact CD2-CG 3.87Å; Q2102-C2104 PolarHBondContact O-N 2.55Å
2103	Q	35.5	Very low	33.4	Very low	165.2 Å²	165.2	139 Å²	139	77%	0.772	73%	0.73	S	S	*	*			trans	-119.8	112	148.3	-97.8	-179.7	-10.6	0	0	109.7	E2101 V2105	E2101-Q2103 PolarHBondContact O-N 3.17Å; Q2103-V2105 PolarHBondContact O-N 2.67Å
2104	C	28.8	Very low	34.3	Very low	104.6 Å²	104.6	137.2 Å²	137.2	71%	0.707	73%	0.731	S	S	*	*			trans	28.9	110.3	138.5	-60.9	0	0	0	0	113.4	Q2102	Q2102-C2104 PolarHBondContact O-N 2.55Å
2105	V	38	Very low	34.9	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	73%	0.725	S	S	*	*			trans	-104.9	114.7	141.5	-171.2	0	0	0	0	109.2	Q2103 L2107	Q2103-V2105 PolarHBondContact O-N 2.67Å; V2105-L2107 HydrophobicContact CG1-CB 4.17Å; V2105-L2107 HydrophobicContact CG1-CD1 3.5Å; V2105-L2107 HydrophobicContact CG1-CG 3.55Å
2106	G	30.6	Very low	35.5	Very low	69.8 Å²	69.8	135.8 Å²	135.8	72%	0.72	72%	0.719	S	S	*	*			trans	-71.9	127.3	149.4	0	0	0	0	0	112.5
2107	L	36.6	Very low	35.8	Very low	159.6 Å²	159.6	142.8 Å²	142.8	84%	0.836	74%	0.736	S	S	*	*			trans	-127.4	137	145.4	-78.9	175.3	0	0	0	109.8	V2105	V2105-L2107 HydrophobicContact CG1-CB 4.17Å; V2105-L2107 HydrophobicContact CG1-CD1 3.5Å; V2105-L2107 HydrophobicContact CG1-CG 3.55Å
2108	A	36.8	Very low	36.4	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	74%	0.735	S	S	*	*			trans	-42.4	118.7	160.6	0	0	0	0	0	111.9
2109	V	35.4	Very low	36.8	Very low	122.6 Å²	122.6	141.4 Å²	141.4	74%	0.743	74%	0.738	S	S	*	*			trans	-98.3	117.7	146.6	178.5	0	0	0	0	109.3	M2111	V2109-M2111 HydrophobicContact CG1-CB 4.15Å; V2109-M2111 HydrophobicContact CG1-CG 4.07Å; V2109-M2111 PolarHBondContact O-N 2.88Å
2110	D	37.6	Very low	37.3	Very low	143.8 Å²	143.8	139.8 Å²	139.8	77%	0.769	73%	0.734	S	S	*	*			trans	-104.2	130.5	142.4	-104.4	-25	0	0	0	109.3
2111	M	38.4	Very low	37.8	Very low	149.6 Å²	149.6	141.8 Å²	141.8	74%	0.737	74%	0.74	S	S	*	*			trans	-160.3	75	164.7	-89.2	-173.6	62.5	0	0	114	V2109 I2114	V2109-M2111 HydrophobicContact CG1-CB 4.15Å; V2109-M2111 HydrophobicContact CG1-CG 4.07Å; V2109-M2111 PolarHBondContact O-N 2.88Å; M2111-I2114 HydrophobicContact CE-CD1 3.79Å; M2111-I2114 HydrophobicContact CG-CD1 3.99Å
2112	D	41.8	Very low	37.9	Very low	140.4 Å²	140.4	142.4 Å²	142.4	75%	0.751	74%	0.743	S	S	*	*			trans	-79.8	140.8	149.4	-70.4	-43.1	0	0	0	112.4	I2114	D2112-I2114 PolarHBondContact O-N 3.32Å
2113	E	44.4	Very low	38.2	Very low	168 Å²	168	141.9 Å²	141.9	79%	0.785	75%	0.745	S	S	*	*			trans	47.2	81.7	170.4	-58.4	-167.8	157.7	0	0	116.7	E2008 K2009 E2115	E2008-E2113 VanDerWaalsContact CA-OE1 3.29Å; E2008-E2113 WeakPolarHBondContact CA-OE1 3.13Å; E2008-E2113 PolarHBondContact N-OE1 3.3Å; E2008-E2113 PolarHBondContact N-OE2 3.33Å; E2008-E2113 VanDerWaalsContact N-OE2 3.16Å; K2009-E2113 WeakPolarHBondContact CE-OE1 3.27Å; E2113-E2115 VanDerWaalsContact C-N 3.26Å; E2113-E2115 PolarHBondContact O-N 3.16Å
2114	I	47.1	Very low	38.4	Very low	150.2 Å²	150.2	140.5 Å²	140.5	77%	0.77	74%	0.738	S	S	*	*			trans	-109.2	103.6	130.4	-39.6	178.7	0	0	0	110.1	M2111 D2112 K2116	M2111-I2114 HydrophobicContact CE-CD1 3.79Å; M2111-I2114 HydrophobicContact CG-CD1 3.99Å; D2112-I2114 PolarHBondContact O-N 3.32Å; I2114-K2116 PolarHBondContact O-N 3.12Å
2115	E	40.4	Very low	38.7	Very low	138.4 Å²	138.4	142.3 Å²	142.3	65%	0.647	74%	0.741	S	S	*	*			trans	-79.1	141.3	170.4	-73	-174.9	153.6	0	0	112	K2009 H2010 E2113 Y2117 Q2898	K2009-E2115 HydrophobicContact CB-CB 4.09Å; K2009-E2115 HydrophobicContact CD-CB 3.31Å; K2009-E2115 VanDerWaalsContact CD-CD 3.46Å; K2009-E2115 HydrophobicContact CD-CG 4Å; K2009-E2115 WeakPolarHBondContact CD-OE1 3.41Å; K2009-E2115 VanDerWaalsContact CE-OE1 3.29Å; K2009-E2115 WeakPolarHBondContact CE-OE1 3.29Å; K2009-E2115 HydrophobicContact CG-CB 3.5Å; K2009-E2115 VanDerWaalsContact CG-CB 3.5Å; K2009-E2115 IonicContact NZ-OE1 2.65Å; K2009-E2115 PolarHBondContact NZ-OE1 2.96Å; H2010-E2115 PolarHBondContact CD2-O 3.46Å; E2113-E2115 VanDerWaalsContact C-N 3.26Å; E2113-E2115 PolarHBondContact O-N 3.16Å; E2115-Y2117 HydrophobicContact CG-CD2 3.84Å; E2115-Q2898 VanDerWaalsContact OE1-CD 3.31Å; E2115-Q2898 PolarHBondContact OE1-NE2 2.87Å; E2115-Q2898 PolarHBondContact OE1-OE1 3.38Å
2116	K	41.3	Very low	38.6	Very low	146.8 Å²	146.8	141.6 Å²	141.6	64%	0.638	74%	0.739	S	S	*	*			trans	55.6	114.7	142.5	-82.2	168.6	-174.4	152.5	0	115	K2009 H2010 V2011 I2114 Q2118	K2009-K2116 WeakPolarHBondContact O-CE 3.29Å; K2009-K2116 PolarHBondContact O-NZ 3.44Å; K2009-K2116 VanDerWaalsContact O-NZ 3.13Å; H2010-K2116 HydrophobicContact CB-CB 4.2Å; H2010-K2116 HydrophobicContact CB-CD 4.43Å; H2010-K2116 WeakPolarHBondContact O-CD 3.22Å; H2010-K2116 PolarHBondContact O-NZ 2.83Å; V2011-K2116 HydrophobicContact CB-CB 3.63Å; V2011-K2116 HydrophobicContact CB-CD 3.84Å; V2011-K2116 HydrophobicContact CB-CG 4.43Å; V2011-K2116 HydrophobicContact CG1-CB 4.49Å; V2011-K2116 HydrophobicContact CG2-CB 3.83Å; V2011-K2116 VanDerWaalsContact O-CD 3.25Å; V2011-K2116 WeakPolarHBondContact O-CD 3.21Å; V2011-K2116 PolarHBondContact O-NZ 3.15Å; I2114-K2116 PolarHBondContact O-N 3.12Å; K2116-Q2118 PolarHBondContact O-N 2.98Å
2117	Y	35.9	Very low	38.8	Very low	203.4 Å²	203.4	143.3 Å²	143.3	80%	0.798	74%	0.74	S	S	*	*				-69.9	106.6	108.3	-78.1	-79	0	0	0	111.6	E2115 K2754 K2757	E2115-Y2117 HydrophobicContact CG-CD2 3.84Å; Y2117-K2754 WeakPolarHBondContact OH-CE 3.24Å; Y2117-K2757 PolarHBondContact O-NZ 2.83Å
2118	Q	39.7	Very low	38.5	Very low	158.6 Å²	158.6	141.5 Å²	141.5	74%	0.741	74%	0.739	S	S	*	*			trans	-142.9	110	137.8	-173.5	173.8	-4.6	0	0	109.2	V2011 F2013 K2116 V2120	V2011-Q2118 HydrophobicContact CG1-CB 3.96Å; F2013-Q2118 HydrophobicContact CD2-CB 3.68Å; F2013-Q2118 HydrophobicContact CD2-CG 4.07Å; F2013-Q2118 HydrophobicContact CE2-CB 3.63Å; F2013-Q2118 HydrophobicContact CE2-CG 4.31Å; F2013-Q2118 WeakPolarHBondContact CE2-O 3.05Å; F2013-Q2118 WeakPolarHBondContact CZ-O 3.38Å; K2116-Q2118 PolarHBondContact O-N 2.98Å; Q2118-V2120 HydrophobicContact CG-CG2 3.81Å; Q2118-V2120 PolarHBondContact O-N 3.38Å; Q2118-V2120 VanDerWaalsContact O-N 3.08Å
2119	E	36.8	Very low	38.5	Very low	158.8 Å²	158.8	142.2 Å²	142.2	74%	0.742	74%	0.736	S	S	*	*			trans	-62.9	120.5	149.7	-71.3	172.5	155.8	0	0	107.8	K2757 V2904	E2119-K2757 HydrophobicContact CG-CB 3.85Å; E2119-K2757 HydrophobicContact CG-CD 3.58Å; E2119-K2757 VanDerWaalsContact CG-CE 3.44Å; E2119-K2757 HydrophobicContact CG-CG 3.82Å; E2119-K2757 VanDerWaalsContact N-NZ 3.14Å; E2119-V2904 WeakPolarHBondContact OE2-CG1 3.48Å
2120	V	43.1	Very low	38.4	Very low	103 Å²	103	147.2 Å²	147.2	62%	0.624	74%	0.741	S	S	*	*				-149	125.4	119.1	162.4	0	0	0	0	107.4	F2013 Q2118	F2013-V2120 HydrophobicContact CB-CG2 3.66Å; F2013-V2120 HydrophobicContact CD1-CB 3.64Å; F2013-V2120 HydrophobicContact CD1-CG2 3.26Å; F2013-V2120 HydrophobicContact CD2-CG2 4.04Å; F2013-V2120 HydrophobicContact CE1-CB 3.84Å; F2013-V2120 HydrophobicContact CE1-CG2 3.81Å; F2013-V2120 HydrophobicContact CG-CB 4.28Å; F2013-V2120 HydrophobicContact CG-CG2 3.38Å; F2013-V2120 HydrophobicContact CZ-CG2 4.41Å; Q2118-V2120 HydrophobicContact CG-CG2 3.81Å; Q2118-V2120 PolarHBondContact O-N 3.38Å; Q2118-V2120 VanDerWaalsContact O-N 3.08Å
2121	E	39.6	Very low	38.3	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	74%	0.742	S	S	*	*			trans	-42.5	132.9	162.7	-85.2	166.5	139.6	0	0	113.6	D2123	E2121-D2123 VanDerWaalsContact C-N 3.3Å; E2121-D2123 PolarHBondContact O-N 3.04Å; E2121-D2123 VanDerWaalsContact O-N 3.15Å
2122	E	38.4	Very low	38.1	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	74%	0.737	S	S	*	*			trans	-54.6	108.2	150.2	-132	171.1	-178.5	0	0	112.2	K2755	E2122-K2755 IonicContact OE1-NZ 3.91Å; E2122-K2755 PolarHBondContact OE1-NZ 2.92Å
2123	D	36.9	Very low	38	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	74%	0.737	S	S	*	*			trans	-120.3	147.3	148.4	-144.2	-2.4	0	0	0	112	E2121	E2121-D2123 VanDerWaalsContact C-N 3.3Å; E2121-D2123 PolarHBondContact O-N 3.04Å; E2121-D2123 VanDerWaalsContact O-N 3.15Å
2124	Q	38.4	Very low	37.7	Very low	135.2 Å²	135.2	146.4 Å²	146.4	63%	0.632	73%	0.733	S	S	*	*			trans	-102.9	122	-176.8	-60.9	-144.7	2.7	0	0	114.8
2125	D	35	Very low	37.2	Very low	142.6 Å²	142.6	146.2 Å²	146.2	76%	0.763	73%	0.732	S	S	*	*				-101.7	141.7	128.4	-116.3	-11.7	0	0	0	111.7	S2127	D2125-S2127 PolarHBondContact O-N 3.06Å
2126	P	36.8	Very low	37.2	Very low	114.4 Å²	114.4	146.7 Å²	146.7	74%	0.743	74%	0.738	S	S	*	*			trans	-98.7	123.2	-173.6	34.1	-30.4	0	0	0	114.5
2127	S	34.3	Very low	37.2	Very low	105.6 Å²	105.6	146 Å²	146	74%	0.738	74%	0.742	S	S	*	*			trans	-158.4	122	151.2	60.8	0	0	0	0	116.1	D2125	D2125-S2127 PolarHBondContact O-N 3.06Å
2128	C	31.4	Very low	37.3	Very low	122.2 Å²	122.2	143.3 Å²	143.3	83%	0.826	74%	0.736	S	S	*	*			trans	-5.9	153.6	161.7	-66.1	0	0	0	0	116
2129	P	35.3	Very low	37.2	Very low	106.6 Å²	106.6	143.8 Å²	143.8	69%	0.692	74%	0.736	S	S	*	*			trans	-128.7	158.2	-134.2	29.8	-10.8	0	0	0	115.6
2130	R	34.3	Very low	37.2	Very low	226.6 Å²	226.6	144.7 Å²	144.7	86%	0.855	74%	0.74	S	S	*	*			trans	145.6	143.2	140.6	-80.2	-177.9	164.1	141.8	-0.9	113.9
2131	L	34.2	Very low	37	Very low	147.8 Å²	147.8	145.1 Å²	145.1	77%	0.774	75%	0.745	S	S	*	*				48.9	125.5	124.1	-60.9	177.4	0	0	0	114.8
2132	S	34.2	Very low	36.7	Very low	91 Å²	91	145 Å²	145	64%	0.636	74%	0.744	S	S	*	*				41.2	146.2	84.9	70.1	0	0	0	0	115.2	D1948 Q1949	D1948-S2132 PolarHBondContact O-OG 3.11Å; Q1949-S2132 CarbonylContact O-C 2.87Å; Q1949-S2132 VanDerWaalsContact O-CA 3.31Å; Q1949-S2132 WeakPolarHBondContact O-CA 3.46Å; Q1949-S2132 PolarHBondContact O-N 3.03Å; Q1949-S2132 PolarHBondContact O-OG 3.29Å; Q1949-S2132 VanDerWaalsContact O-OG 3.09Å
2133	R	41.4	Very low	36.6	Very low	201.8 Å²	201.8	142.6 Å²	142.6	76%	0.762	74%	0.741	S	S	*	*				-164.9	126.9	89.2	-163.5	171.3	-176.1	156.3	2.6	112.7	D1948 Q1949	D1948-R2133 IonicContact OD1-CZ 3.22Å; D1948-R2133 IonicContact OD1-NE 2.68Å; D1948-R2133 IonicContact OD1-NH1 2.74Å; D1948-R2133 PolarHBondContact OD1-NH1 3.33Å; Q1949-R2133 PolarHBondContact O-N 3.25Å
2134	E	37.3	Very low	36.4	Very low	146.4 Å²	146.4	143.4 Å²	143.4	68%	0.684	74%	0.744	S	S	*	*			trans	5.4	135.4	150.3	-66.3	178.8	145.3	0	0	113.8
2135	L	36.9	Very low	36.4	Very low	146 Å²	146	145 Å²	145	76%	0.764	75%	0.752	S	S	*	*				125.3	139.1	116.2	-62.8	175.9	0	0	0	114.8
2136	L	40.1	Very low	36.2	Very low	147 Å²	147	144.7 Å²	144.7	77%	0.77	75%	0.75	S	S	*	*				108	125.8	114.2	-75.1	154.1	0	0	0	114.3	K2287	L2136-K2287 HydrophobicContact CD1-CD 4.42Å; L2136-K2287 HydrophobicContact CD1-CG 3.56Å
2137	D	40.5	Very low	36.2	Very low	133.4 Å²	133.4	143.9 Å²	143.9	71%	0.713	75%	0.747	S	S	*	*				172	140	68.5	-163.3	13.4	0	0	0	111.3	K2139 K2287	D2137-K2139 IonicContact OD1-NZ 2.69Å; D2137-K2139 PolarHBondContact OD1-NZ 2.81Å; D2137-K2139 IonicContact OD2-NZ 2.55Å; D2137-K2139 PolarHBondContact OD2-NZ 2.82Å; D2137-K2287 PolarHBondContact O-NZ 3.38Å
2138	E	37.7	Very low	36.2	Very low	146.6 Å²	146.6	145.2 Å²	145.2	69%	0.685	75%	0.745	S	S	*	*			trans	154.4	114.8	160.8	-79.3	-163.8	147.1	0	0	115	K2287	E2138-K2287 IonicContact OE1-NZ 3.44Å; E2138-K2287 PolarHBondContact OE1-NZ 3.44Å
2139	K	39.6	Very low	36.3	Very low	169.4 Å²	169.4	145.3 Å²	145.3	74%	0.737	74%	0.738	S	S	*	*				153.9	116.1	126.2	-72.5	-60.4	164.9	-152.5	0	116.2	D2137	D2137-K2139 IonicContact OD1-NZ 2.69Å; D2137-K2139 PolarHBondContact OD1-NZ 2.81Å; D2137-K2139 IonicContact OD2-NZ 2.55Å; D2137-K2139 PolarHBondContact OD2-NZ 2.82Å
2140	E	36.6	Very low	36.4	Very low	178 Å²	178	149.5 Å²	149.5	83%	0.832	74%	0.739	S	S	*	*			trans	-63.6	154.6	145.4	-68.3	179.4	135.7	0	0	110.9	E2142	E2140-E2142 HydrophobicContact CB-CG 4.48Å
2141	P	37.2	Very low	36.1	Very low	109.6 Å²	109.6	143.3 Å²	143.3	71%	0.712	73%	0.73	S	S	*	*			cis	-129	168.9	44.4	27.8	-12.7	0	0	0	113.1	V2143	P2141-V2143 PolarHBondContact O-N 2.84Å
2142	E	35.1	Very low	36.1	Very low	168.2 Å²	168.2	145.8 Å²	145.8	79%	0.786	73%	0.73	S	S	*	*				170.3	144.9	99.7	-82.7	-177.8	160.7	0	0	112.3	E2140	E2140-E2142 HydrophobicContact CB-CG 4.48Å
2143	V	34.8	Very low	36.1	Very low	115 Å²	115	145.9 Å²	145.9	70%	0.697	73%	0.731	S	S	*	*			trans	40.2	102	154.1	-70.3	0	0	0	0	119.6	P2141 Q2145	P2141-V2143 PolarHBondContact O-N 2.84Å; V2143-Q2145 HydrophobicContact CB-CG 4.42Å; V2143-Q2145 HydrophobicContact CG1-CG 3.87Å; V2143-Q2145 PolarHBondContact O-N 2.73Å
2144	L	33.5	Very low	35.7	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	73%	0.733	S	S	*	*				14.2	92.3	123.1	-95.4	172.7	0	0	0	114.7	D2146	L2144-D2146 VanDerWaalsContact C-N 3.3Å; L2144-D2146 PolarHBondContact O-N 2.7Å; L2144-D2146 VanDerWaalsContact O-N 3.13Å
2145	Q	37.4	Very low	35.5	Very low	168.4 Å²	168.4	141 Å²	141	79%	0.787	74%	0.736	S	S	*	*				-134	97	126.6	-89.3	177.3	37	0	0	109.9	V2143 S2147	V2143-Q2145 HydrophobicContact CB-CG 4.42Å; V2143-Q2145 HydrophobicContact CG1-CG 3.87Å; V2143-Q2145 PolarHBondContact O-N 2.73Å; Q2145-S2147 PolarHBondContact O-N 2.77Å
2146	D	32.1	Very low	35.1	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	74%	0.737	S	S	*	*			trans	-56.2	83.2	147.1	-118.3	0.1	0	0	0	110.7	L2144 L2148	L2144-D2146 VanDerWaalsContact C-N 3.3Å; L2144-D2146 PolarHBondContact O-N 2.7Å; L2144-D2146 VanDerWaalsContact O-N 3.13Å; D2146-L2148 HydrophobicContact CB-CD2 4.42Å; D2146-L2148 HydrophobicContact CB-CG 3.89Å; D2146-L2148 WeakPolarHBondContact O-CG 3.43Å
2147	S	35.9	Very low	34.7	Very low	96.8 Å²	96.8	135.7 Å²	135.7	68%	0.677	73%	0.734	S	S	*	*			trans	-127.8	83.2	155.1	-2	0	0	0	0	108.2	Q2145 D2149 K2511	Q2145-S2147 PolarHBondContact O-N 2.77Å; S2147-D2149 PolarHBondContact O-N 2.59Å; S2147-K2511 CarbonylContact C-O 3.43Å
2148	L	34.8	Very low	34.1	Very low	134 Å²	134	139.7 Å²	139.7	70%	0.702	74%	0.741	S	S	*	*			trans	-19.1	133	133.5	-67.1	170.5	0	0	0	111.4	D2146 R2150 K2511	D2146-L2148 HydrophobicContact CB-CD2 4.42Å; D2146-L2148 HydrophobicContact CB-CG 3.89Å; D2146-L2148 WeakPolarHBondContact O-CG 3.43Å; L2148-R2150 PolarHBondContact O-N 2.7Å; L2148-K2511 WeakPolarHBondContact CA-O 3.37Å; L2148-K2511 PolarHBondContact N-O 3.15Å
2149	D	34.4	Very low	33.8	Very low	124.4 Å²	124.4	139.1 Å²	139.1	67%	0.665	74%	0.742	S	S	*	*			trans	85.8	120.9	134.8	-94.8	-15.5	0	0	0	115.1	S2147 C2151 K2511	S2147-D2149 PolarHBondContact O-N 2.59Å; D2149-C2151 PolarHBondContact O-N 3.4Å; D2149-K2511 WeakPolarHBondContact O-CD 3.49Å
2150	R	36	Very low	33.4	Very low	193.8 Å²	193.8	137.8 Å²	137.8	73%	0.731	74%	0.738	S	S	*	*				-155.4	98	117.6	-139.1	169.2	-147	-153.5	-1.9	113.4	L2148 Y2152 K2511	L2148-R2150 PolarHBondContact O-N 2.7Å; R2150-Y2152 HydrophobicContact CB-CE2 4.42Å; R2150-Y2152 WeakPolarHBondContact CD-OH 3.05Å; R2150-Y2152 HydrophobicContact CG-CD2 4.23Å; R2150-Y2152 HydrophobicContact CG-CE2 4.01Å; R2150-Y2152 VanDerWaalsContact CZ-OH 3.31Å; R2150-Y2152 PolarHBondContact NH1-OH 3.02Å; R2150-Y2152 PolarHBondContact O-N 3.3Å; R2150-K2511 VanDerWaalsContact C-CE 3.46Å; R2150-K2511 VanDerWaalsContact C-NZ 3.29Å; R2150-K2511 WeakPolarHBondContact O-CD 3.31Å; R2150-K2511 VanDerWaalsContact O-CE 3.29Å; R2150-K2511 WeakPolarHBondContact O-CE 3.25Å; R2150-K2511 PolarHBondContact O-NZ 2.81Å
2151	C	29.2	Very low	33.4	Very low	95.8 Å²	95.8	136.5 Å²	136.5	65%	0.647	74%	0.736	S	S	*	*			trans	-33.4	125.3	154.5	-53	0	0	0	0	111.5	D2149 S2153 E2509	D2149-C2151 PolarHBondContact O-N 3.4Å; C2151-S2153 PolarHBondContact O-N 3.44Å; C2151-S2153 VanDerWaalsContact O-N 3.16Å; C2151-E2509 PolarHBondContact SG-OE2 2.65Å
2152	Y	33.8	Very low	33.2	Very low	200.2 Å²	200.2	136.3 Å²	136.3	79%	0.785	74%	0.735	S	S	*	*			trans	-118.8	115.4	149.4	-72.3	-72.2	0	0	0	110.8	R2150 T2154	R2150-Y2152 HydrophobicContact CB-CE2 4.42Å; R2150-Y2152 WeakPolarHBondContact CD-OH 3.05Å; R2150-Y2152 HydrophobicContact CG-CD2 4.23Å; R2150-Y2152 HydrophobicContact CG-CE2 4.01Å; R2150-Y2152 VanDerWaalsContact CZ-OH 3.31Å; R2150-Y2152 PolarHBondContact NH1-OH 3.02Å; R2150-Y2152 PolarHBondContact O-N 3.3Å; Y2152-T2154 WeakPolarHBondContact CB-OG1 3.23Å
2153	S	33.8	Very low	33	Very low	93.4 Å²	93.4	134.9 Å²	134.9	65%	0.653	73%	0.733	S	S	*	*			trans	-114.5	105.3	130.7	-62.7	0	0	0	0	110.7	C2151 P2155	C2151-S2153 PolarHBondContact O-N 3.44Å; C2151-S2153 VanDerWaalsContact O-N 3.16Å; S2153-P2155 WeakPolarHBondContact O-CD 3.41Å
2154	T	32.9	Very low	33	Very low	130.4 Å²	130.4	137.6 Å²	137.6	80%	0.8	74%	0.742	S	S	*	*			trans	177.5	112.2	131.5	-39.4	0	0	0	0	112.6	Y2152	Y2152-T2154 WeakPolarHBondContact CB-OG1 3.23Å
2155	P	32.4	Very low	33	Very low	115.6 Å²	115.6	133.6 Å²	133.6	75%	0.751	74%	0.739	S	S	*	*			trans	-105.4	152	167.6	33.8	-25.3	0	0	0	111.8	S2153	S2153-P2155 WeakPolarHBondContact O-CD 3.41Å
2156	S	29.3	Very low	32.9	Very low	113.4 Å²	113.4	134.1 Å²	134.1	79%	0.793	74%	0.741	S	S	*	*			trans	170.7	125.4	158.9	62.4	0	0	0	0	113.5
2157	G	31.9	Very low	33	Very low	67.6 Å²	67.6	132.4 Å²	132.4	70%	0.697	74%	0.738	S	S	*	*			trans	125	78.2	171.8	0	0	0	0	0	113.4
2158	Y	27.9	Very low	32.8	Very low	218.2 Å²	218.2	138.2 Å²	138.2	86%	0.856	75%	0.747	S	S	*	*				112.6	130	98.2	-85	-83.8	0	0	0	112.4
2159	L	30.7	Very low	32.7	Very low	134.8 Å²	134.8	136.4 Å²	136.4	71%	0.706	75%	0.745	S	S	*	*				88.5	133.4	123.6	-134.9	98.1	0	0	0	112.2
2160	E	31.8	Very low	32.7	Very low	141.2 Å²	141.2	135.1 Å²	135.1	66%	0.66	75%	0.746	S	S	*	*			cis	179.7	115.5	-12.3	-150	157.3	-143.7	0	0	111.6	P2162	E2160-P2162 HydrophobicContact CB-CG 4.5Å; E2160-P2162 HydrophobicContact CG-CG 4.48Å
2161	L	36.9	Very low	32.5	Very low	150.8 Å²	150.8	129.3 Å²	129.3	79%	0.79	74%	0.739	S	S	*	*			trans	-160.2	137.1	160	-76.9	166.3	0	0	0	113.2
2162	P	32.9	Very low	32.5	Very low	105.6 Å²	105.6	130.1 Å²	130.1	69%	0.686	74%	0.741	S	S	*	*			trans	-113.1	138	130.5	32.8	-20.3	0	0	0	113.4	E2160	E2160-P2162 HydrophobicContact CB-CG 4.5Å; E2160-P2162 HydrophobicContact CG-CG 4.48Å
2163	D	31.4	Very low	32.5	Very low	138.6 Å²	138.6	130.6 Å²	130.6	74%	0.741	74%	0.743	S	S	*	*				92.4	128.8	121.4	-87.2	-24.4	0	0	0	117.1
2164	L	33.6	Very low	32.5	Very low	171.6 Å²	171.6	130.7 Å²	130.7	90%	0.898	74%	0.743	S	S	*	*			trans	94.9	107.4	148	-69.5	166.6	0	0	0	116.7
2165	G	34.2	Very low	32.4	Very low	74.2 Å²	74.2	131.1 Å²	131.1	77%	0.765	74%	0.74	S	S	*	*			trans	113.1	101.6	130.4	0	0	0	0	0	117
2166	Q	35.9	Very low	32.6	Very low	177.8 Å²	177.8	133.1 Å²	133.1	83%	0.831	74%	0.739	S	S	*	*				-87	156.7	120.1	-65.9	-69.8	-3.4	0	0	113
2167	P	33.3	Very low	33	Very low	102.6 Å²	102.6	136.3 Å²	136.3	67%	0.666	74%	0.742	S	S	*	*			cis	-133.2	167.8	-28	37.9	-20.1	0	0	0	115.7
2168	Y	30.8	Very low	33	Very low	218.6 Å²	218.6	141 Å²	141	86%	0.857	75%	0.745	S	S	*	*			trans	-130.5	158.1	149.1	-94.6	-103.4	0	0	0	116.6
2169	S	34.6	Very low	33.2	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	74%	0.74	S	S	*	*			trans	114.7	137.6	158.5	-160.5	0	0	0	0	115.8
2170	S	33.1	Very low	33.3	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	75%	0.745	S	S	*	*				72.3	131.8	119.2	60.5	0	0	0	0	118.4
2171	A	31.2	Very low	33.4	Very low	71.4 Å²	71.4	137 Å²	137	59%	0.59	75%	0.746	S	S	*	*				116	139.9	105.3	0	0	0	0	0	114
2172	V	29.3	Very low	33.3	Very low	113.4 Å²	113.4	137.5 Å²	137.5	69%	0.687	75%	0.749	S	S	*	*				85.5	126.4	110.8	-160.7	0	0	0	0	114.8	S2174	V2172-S2174 WeakPolarHBondContact CG1-OG 3.44Å
2173	Y	34.6	Very low	33.5	Very low	211.2 Å²	211.2	136.8 Å²	136.8	83%	0.828	75%	0.752	S	S	*	*			trans	154.9	121	135.2	-63.9	-73.9	0	0	0	112.9
2174	S	32.9	Very low	33.6	Very low	94.4 Å²	94.4	137.4 Å²	137.4	66%	0.66	75%	0.754	S	S	*	*				64.3	119.8	113.2	-53.2	0	0	0	0	115	V2172	V2172-S2174 WeakPolarHBondContact CG1-OG 3.44Å
2175	L	31.6	Very low	33.8	Very low	139 Å²	139	135.5 Å²	135.5	73%	0.728	75%	0.745	S	S	*	*				71.4	121.6	121.8	-136.8	132.4	0	0	0	115.8	E2177	L2175-E2177 HydrophobicContact CD2-CG 4.26Å
2176	E	36.3	Very low	34	Very low	157.8 Å²	157.8	136.7 Å²	136.7	74%	0.737	74%	0.738	S	S	*	*			trans	81.5	131.1	151.4	-74.3	143.7	-175.1	0	0	116.1	Q2178	E2176-Q2178 HydrophobicContact CG-CG 4.3Å
2177	E	37.9	Very low	34.2	Very low	181.4 Å²	181.4	134 Å²	134	85%	0.848	73%	0.728	S	S	*	*				31.2	117.7	122.3	-60.9	-170.2	-174.8	0	0	113.6	L2175	L2175-E2177 HydrophobicContact CD2-CG 4.26Å
2178	Q	32.7	Very low	34.4	Very low	164.8 Å²	164.8	137.9 Å²	137.9	77%	0.77	73%	0.73	S	S	*	*			trans	-136.1	136.6	171.9	-134.6	177.3	-36.9	0	0	111.1	E2176 L2180	E2176-Q2178 HydrophobicContact CG-CG 4.3Å; Q2178-L2180 HydrophobicContact CG-CD1 4.41Å
2179	Y	31.4	Very low	34.9	Very low	187 Å²	187	134.3 Å²	134.3	73%	0.733	72%	0.724	S	S	*	*			trans	40.2	146.1	154.1	-90.3	-100.8	0	0	0	113.1	V1580 Q1582	V1580-Y2179 HydrophobicContact CB-CD2 4.29Å; V1580-Y2179 HydrophobicContact CB-CE2 3.62Å; V1580-Y2179 HydrophobicContact CG1-CE2 3.64Å; V1580-Y2179 HydrophobicContact CG2-CD2 3.93Å; V1580-Y2179 HydrophobicContact CG2-CE2 3.71Å; Q1582-Y2179 PolarHBondContact OE1-OH 2.73Å
2180	L	33.5	Very low	35	Very low	158 Å²	158	137.8 Å²	137.8	83%	0.827	73%	0.727	S	S	*	*				79.5	101.8	116.8	-117.4	86.8	0	0	0	115.2	Q2178	Q2178-L2180 HydrophobicContact CG-CD1 4.41Å
2181	G	32.9	Very low	35	Very low	65.6 Å²	65.6	140.8 Å²	140.8	68%	0.676	73%	0.728	S	S	*	*			trans	-169.9	121.7	152.8	0	0	0	0	0	115.3
2182	L	35.1	Very low	35.2	Very low	161.6 Å²	161.6	143.8 Å²	143.8	85%	0.846	73%	0.734	S	S	*	*				50.9	101.7	118.7	-57.4	178	0	0	0	114.1	L2184	L2182-L2184 HydrophobicContact CD2-CD1 4.36Å
2183	A	37.8	Very low	35.4	Very low	90.8 Å²	90.8	145.3 Å²	145.3	75%	0.75	73%	0.734	S	S	*	*				102.6	80.1	97.5	0	0	0	0	0	113.1
2184	L	33.4	Very low	35.3	Very low	150.4 Å²	150.4	142.7 Å²	142.7	79%	0.787	73%	0.729	S	S	*	*				-125.6	125.8	125.6	-73.5	177.5	0	0	0	109	L2182 V2186	L2182-L2184 HydrophobicContact CD2-CD1 4.36Å; L2184-V2186 HydrophobicContact CB-CG2 4.24Å; L2184-V2186 HydrophobicContact CD2-CG2 3.9Å
2185	D	37.2	Very low	35.4	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	74%	0.735	S	S	*	*				104	101.3	102.5	-87.9	-19	0	0	0	113	D2187 Q2681 E2682	D2185-D2187 PolarHBondContact O-N 2.73Å; D2185-Q2681 PolarHBondContact OD1-NE2 3.32Å; D2185-Q2681 PolarHBondContact OD2-NE2 3.22Å; D2185-E2682 VanDerWaalsContact CA-OE1 3.29Å; D2185-E2682 WeakPolarHBondContact CA-OE1 3.32Å; D2185-E2682 PolarHBondContact N-OE1 3.44Å
2186	V	38	Very low	35.6	Very low	100.8 Å²	100.8	147 Å²	147	61%	0.611	74%	0.735	S	S	*	*				71.1	107	99.5	-176	0	0	0	0	112.4	L2184 R2188 E2682 E2683	L2184-V2186 HydrophobicContact CB-CG2 4.24Å; L2184-V2186 HydrophobicContact CD2-CG2 3.9Å; V2186-R2188 HydrophobicContact CG1-CB 4.32Å; V2186-E2682 HydrophobicContact CG2-CG 3.68Å; V2186-E2682 PolarHBondContact N-OE1 2.86Å; V2186-E2683 HydrophobicContact CB-CG 4.39Å; V2186-E2683 HydrophobicContact CG1-CG 4.39Å; V2186-E2683 HydrophobicContact CG2-CG 4.32Å
2187	D	40.1	Very low	35.7	Very low	119.2 Å²	119.2	147.8 Å²	147.8	64%	0.637	74%	0.739	S	S	*	*				-168	138	117	-101	-30.7	0	0	0	114.5	D2185 I2189 E2683 E2685	D2185-D2187 PolarHBondContact O-N 2.73Å; D2187-I2189 HydrophobicContact CB-CD1 4.34Å; D2187-E2683 VanDerWaalsContact C-CD 3.47Å; D2187-E2683 WeakPolarHBondContact CA-OE1 3.33Å; D2187-E2683 PolarHBondContact N-OE1 3.41Å; D2187-E2683 VanDerWaalsContact N-OE1 3.12Å; D2187-E2685 WeakPolarHBondContact OD1-CG 3.29Å; D2187-E2685 PolarHBondContact OD1-N 2.76Å; D2187-E2685 WeakPolarHBondContact OD2-CG 3.23Å
2188	R	37	Very low	35.6	Very low	185.8 Å²	185.8	145.7 Å²	145.7	70%	0.701	73%	0.734	S	S	*	*				-116.6	135.1	109.2	-132.3	-173.5	-169.9	178.2	5	112.6	V2186 E2683 E2684 E2685	V2186-R2188 HydrophobicContact CG1-CB 4.32Å; R2188-E2683 HydrophobicContact CG-CB 4.02Å; R2188-E2683 HydrophobicContact CG-CG 4.27Å; R2188-E2683 VanDerWaalsContact CG-OE2 3.27Å; R2188-E2683 WeakPolarHBondContact CG-OE2 3.06Å; R2188-E2683 VanDerWaalsContact N-CD 3.27Å; R2188-E2683 PolarHBondContact N-OE2 3.44Å; R2188-E2683 VanDerWaalsContact N-OE2 3.14Å; R2188-E2683 PolarHBondContact NE-O 2.84Å; R2188-E2683 PolarHBondContact NH1-O 2.93Å; R2188-E2684 WeakPolarHBondContact CD-O 3.38Å; R2188-E2684 VanDerWaalsContact CG-O 3.25Å; R2188-E2684 WeakPolarHBondContact CG-O 3.34Å; R2188-E2684 VanDerWaalsContact NE-C 3.29Å; R2188-E2684 PolarHBondContact NE-O 2.83Å; R2188-E2685 WeakPolarHBondContact CD-O 3.13Å; R2188-E2685 PolarHBondContact NE-O 3.23Å; R2188-E2685 PolarHBondContact NH2-O 3.37Å
2189	I	41.2	Very low	35.8	Very low	142.8 Å²	142.8	146.2 Å²	146.2	73%	0.732	74%	0.736	S	S	*	*			trans	165	122.1	151.9	-69.1	157.7	0	0	0	111	D2187 K2191	D2187-I2189 HydrophobicContact CB-CD1 4.34Å; I2189-K2191 HydrophobicContact CG2-CB 4.15Å
2190	K	36.8	Very low	35.9	Very low	169 Å²	169	140.5 Å²	140.5	74%	0.735	73%	0.734	S	S	*	*				-145.3	122	113	-84.3	175.3	-175.3	173	0	107.8	E2685	K2190-E2685 PolarHBondContact NZ-O 3.18Å
2191	K	34.8	Very low	36.2	Very low	161.2 Å²	161.2	138.8 Å²	138.8	70%	0.701	73%	0.733	S	S	*	*				60.4	107.3	93.5	-92.1	-164.4	172.5	-131.9	0	113.9	I2189 Q2193	I2189-K2191 HydrophobicContact CG2-CB 4.15Å; K2191-Q2193 VanDerWaalsContact CE-OE1 3.29Å
2192	D	35.1	Very low	36.3	Very low	134.6 Å²	134.6	141.3 Å²	141.3	72%	0.72	74%	0.737	S	S	*	*				174.1	143.9	119.5	-55.1	-42.4	0	0	0	111.1
2193	Q	33.2	Very low	36.1	Very low	143.6 Å²	143.6	139.3 Å²	139.3	67%	0.671	74%	0.735	S	S	*	*				168.5	149.3	102.6	-79.9	179.9	-69	0	0	110.6	K2191	K2191-Q2193 VanDerWaalsContact CE-OE1 3.29Å
2194	E	32.5	Very low	36.1	Very low	157.8 Å²	157.8	140.3 Å²	140.3	74%	0.737	73%	0.734	S	S	*	*				81.2	140.3	93.9	-95.4	165.5	-164.6	0	0	111.6
2195	E	35.3	Very low	36.2	Very low	166.4 Å²	166.4	143.6 Å²	143.6	78%	0.778	74%	0.736	S	S	*	*			cis	166	144.5	14.9	-89.5	171.6	169.8	0	0	110.6	E2197	E2195-E2197 PolarHBondContact O-N 3.05Å
2196	E	35.5	Very low	36	Very low	156.2 Å²	156.2	143.7 Å²	143.7	73%	0.73	74%	0.736	S	S	*	*				21.6	114	119.3	-136.8	176.2	-161.1	0	0	114.7	K1784 R1786 D2198	K1784-E2196 IonicContact NZ-OE2 3.56Å; K1784-E2196 PolarHBondContact NZ-OE2 3.35Å; R1786-E2196 IonicContact CZ-OE1 3.74Å; R1786-E2196 IonicContact NE-OE1 3.92Å; R1786-E2196 IonicContact NH2-OE1 2.74Å; R1786-E2196 PolarHBondContact NH2-OE1 2.84Å; E2196-D2198 PolarHBondContact O-N 2.88Å
2197	E	39	Very low	36	Very low	174.2 Å²	174.2	143.5 Å²	143.5	81%	0.814	74%	0.739	S	S	*	*			trans	-33	118.2	145.9	-74.1	-165.2	132.2	0	0	113.4	E2195 Q2199	E2195-E2197 PolarHBondContact O-N 3.05Å; E2197-Q2199 PolarHBondContact O-N 2.82Å
2198	D	35.5	Very low	36.1	Very low	138.4 Å²	138.4	147.1 Å²	147.1	74%	0.74	74%	0.743	S	S	*	*			trans	-27.2	134.9	146.2	-164.5	18.2	0	0	0	113.5	K1784 E2196 G2200	K1784-D2198 WeakPolarHBondContact CE-OD2 3.49Å; K1784-D2198 IonicContact NZ-OD2 2.71Å; K1784-D2198 PolarHBondContact NZ-OD2 3.35Å; E2196-D2198 PolarHBondContact O-N 2.88Å; D2198-G2200 PolarHBondContact O-N 2.92Å
2199	Q	36.9	Very low	36.1	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	74%	0.742	S	S	*	*			trans	-104.5	103.1	175.6	-62.5	-161.1	10	0	0	114.3	E2197	E2197-Q2199 PolarHBondContact O-N 2.82Å
2200	G	32.1	Very low	35.8	Very low	68.6 Å²	68.6	145.5 Å²	145.5	71%	0.707	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-20.1	173.3	162.6	0	0	0	0	0	115.3	D2198	D2198-G2200 PolarHBondContact O-N 2.92Å
2201	P	41.3	Very low	35.9	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	75%	0.745	S	S	*	*			trans	-93.5	168.5	-143.5	36.2	-33.7	0	0	0	112.9	C2203	P2201-C2203 PolarHBondContact O-N 3.06Å
2202	P	35.3	Very low	36	Very low	117.8 Å²	117.8	144.1 Å²	144.1	77%	0.765	75%	0.747	S	S	*	*				-100.3	155	-128.7	33.9	-29.6	0	0	0	114.3	P2204	P2202-P2204 WeakPolarHBondContact O-CD 3.21Å
2203	C	30.8	Very low	36.2	Very low	120 Å²	120	143.6 Å²	143.6	81%	0.811	75%	0.749	S	S	*	*			trans	-45.8	142.1	173.6	-56.4	0	0	0	0	114.4	P2201 R2205	P2201-C2203 PolarHBondContact O-N 3.06Å; C2203-R2205 PolarHBondContact O-N 2.59Å; C2203-R2205 VanDerWaalsContact O-N 3.16Å
2204	P	36.4	Very low	36.4	Very low	111.6 Å²	111.6	142.5 Å²	142.5	73%	0.725	75%	0.752	S	S	*	*			trans	-117.8	127.4	140.1	25.9	-11.8	0	0	0	115.5	P2202 L2206	P2202-P2204 WeakPolarHBondContact O-CD 3.21Å; P2204-L2206 WeakPolarHBondContact O-CD1 3.34Å; P2204-L2206 WeakPolarHBondContact O-CG 3.31Å
2205	R	35.8	Very low	36.4	Very low	219.4 Å²	219.4	143 Å²	143	83%	0.828	75%	0.754	S	S	*	*			trans	57.4	119	148.6	-72.9	-177.7	171.6	141.3	1.9	116.1	C2203	C2203-R2205 PolarHBondContact O-N 2.59Å; C2203-R2205 VanDerWaalsContact O-N 3.16Å
2206	L	34	Very low	36.5	Very low	133.8 Å²	133.8	140.4 Å²	140.4	70%	0.701	75%	0.752	S	S	*	*				98.3	108.9	66.7	-66.9	176.3	0	0	0	115.9	V1698 D1699 R1700 P2204 R2208	V1698-L2206 VanDerWaalsContact CG1-C 3.43Å; D1699-L2206 HydrophobicContact CB-CD2 4.42Å; D1699-L2206 WeakPolarHBondContact O-CA 3.4Å; R1700-L2206 HydrophobicContact CB-CD2 3.84Å; R1700-L2206 HydrophobicContact CG-CD2 3.46Å; R1700-L2206 VanDerWaalsContact CG-CD2 3.46Å; P2204-L2206 WeakPolarHBondContact O-CD1 3.34Å; P2204-L2206 WeakPolarHBondContact O-CG 3.31Å; L2206-R2208 PolarHBondContact O-N 3.14Å
2207	S	37	Very low	36.4	Very low	96.4 Å²	96.4	140.9 Å²	140.9	67%	0.674	75%	0.754	S	S	*	*			trans	-104.1	97.9	137.7	50.2	0	0	0	0	110.8	V1698 D1699 E2209	V1698-S2207 WeakPolarHBondContact CB-O 3.08Å; V1698-S2207 WeakPolarHBondContact CB-OG 3.24Å; V1698-S2207 WeakPolarHBondContact CG2-OG 3.49Å; V1698-S2207 CarbonylContact O-C 3.24Å; V1698-S2207 VanDerWaalsContact O-C 3.24Å; D1699-S2207 PolarHBondContact O-N 2.76Å; S2207-E2209 WeakPolarHBondContact CB-OE1 3.44Å
2208	R	43.3	Very low	36.2	Very low	194.8 Å²	194.8	138.3 Å²	138.3	74%	0.735	75%	0.75	S	S	*	*				108.4	109.5	90	-155	172.5	-170.5	-176.2	2.7	110.4	V1698 R1700 L2206	V1698-R2208 PolarHBondContact O-N 2.78Å; V1698-R2208 VanDerWaalsContact O-N 3.15Å; R1700-R2208 WeakPolarHBondContact O-CA 3.11Å; R1700-R2208 VanDerWaalsContact O-CB 3.29Å; R1700-R2208 WeakPolarHBondContact O-CB 3.42Å; R1700-R2208 WeakPolarHBondContact O-CG 3.36Å; R1700-R2208 PolarHBondContact O-N 3.05Å; L2206-R2208 PolarHBondContact O-N 3.14Å
2209	E	37.2	Very low	36	Very low	143.8 Å²	143.8	138.7 Å²	138.7	67%	0.672	75%	0.751	S	S	*	*				57.9	116.4	125.3	-62.4	162.3	-170.8	0	0	113.4	S2207	S2207-E2209 WeakPolarHBondContact CB-OE1 3.44Å
2210	L	35	Very low	36	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	75%	0.747	S	S	*	*				-155.3	157.2	51.6	-123.7	155	0	0	0	109.7	E2212	L2210-E2212 HydrophobicContact CD2-CB 4.18Å
2211	L	37.4	Very low	36.2	Very low	140.4 Å²	140.4	141.1 Å²	141.1	74%	0.735	75%	0.748	S	S	*	*			trans	65.7	130	174.7	-113.7	108.2	0	0	0	114.4
2212	E	38.1	Very low	35.6	Very low	161.4 Å²	161.4	139.8 Å²	139.8	75%	0.754	74%	0.742	S	S	*	*				76.2	115.7	126	-135.3	173.4	-171.9	0	0	113.8	L2210 V2214	L2210-E2212 HydrophobicContact CD2-CB 4.18Å; E2212-V2214 HydrophobicContact CG-CG2 4.31Å
2213	V	38.2	Very low	35.5	Very low	123.6 Å²	123.6	141.2 Å²	141.2	75%	0.749	74%	0.742	S	S	*	*				171	133.9	70.6	178.5	0	0	0	0	110.5
2214	V	38.3	Very low	35.6	Very low	121.2 Å²	121.2	140.8 Å²	140.8	74%	0.735	73%	0.732	S	S	*	*			trans	69.8	102.1	144.3	-166.9	0	0	0	0	114.2	E2212 P2216	E2212-V2214 HydrophobicContact CG-CG2 4.31Å; V2214-P2216 WeakPolarHBondContact O-CD 3.27Å
2215	E	31.7	Very low	35.6	Very low	169 Å²	169	144 Å²	144	79%	0.79	73%	0.73	S	S	*	*			trans	-73.5	151.4	137.2	-76.5	178.6	132.9	0	0	111.8	E2217 V2218	E2215-E2217 VanDerWaalsContact C-N 3.28Å; E2215-E2217 PolarHBondContact O-N 2.91Å; E2215-E2217 VanDerWaalsContact O-N 3.12Å; E2215-V2218 WeakPolarHBondContact OE1-CG2 3.47Å; E2215-V2218 WeakPolarHBondContact OE2-CG2 3.48Å
2216	P	36.7	Very low	35.6	Very low	111.2 Å²	111.2	138 Å²	138	72%	0.722	72%	0.72	S	S	*	*			trans	-113.9	129.7	166	32.4	-19.6	0	0	0	112.8	V2214 V2218	V2214-P2216 WeakPolarHBondContact O-CD 3.27Å; P2216-V2218 PolarHBondContact O-N 2.76Å
2217	E	33.6	Very low	35.7	Very low	166.6 Å²	166.6	140.5 Å²	140.5	78%	0.779	72%	0.722	S	S	*	*			trans	-52	123.5	163	-58.1	-154.3	144.4	0	0	114.8	E2215 L2219	E2215-E2217 VanDerWaalsContact C-N 3.28Å; E2215-E2217 PolarHBondContact O-N 2.91Å; E2215-E2217 VanDerWaalsContact O-N 3.12Å; E2217-L2219 VanDerWaalsContact C-N 3.26Å; E2217-L2219 PolarHBondContact O-N 3.23Å
2218	V	35.5	Very low	35.4	Very low	119.8 Å²	119.8	140.8 Å²	140.8	73%	0.726	72%	0.723	S	S	*	*				-109.7	96.7	125.7	-90.8	0	0	0	0	114.8	E2215 P2216 Q2220	E2215-V2218 WeakPolarHBondContact OE1-CG2 3.47Å; E2215-V2218 WeakPolarHBondContact OE2-CG2 3.48Å; P2216-V2218 PolarHBondContact O-N 2.76Å; V2218-Q2220 WeakPolarHBondContact O-CB 3.49Å; V2218-Q2220 WeakPolarHBondContact O-CG 3.44Å; V2218-Q2220 PolarHBondContact O-NE2 2.71Å
2219	L	30.7	Very low	35	Very low	146 Å²	146	137.6 Å²	137.6	76%	0.764	73%	0.726	S	S	*	*			trans	-89.6	110.6	166.7	-74.3	175.3	0	0	0	114.4	E2217 D2221	E2217-L2219 VanDerWaalsContact C-N 3.26Å; E2217-L2219 PolarHBondContact O-N 3.23Å; L2219-D2221 PolarHBondContact O-N 3.46Å
2220	Q	37.8	Very low	34.7	Very low	154.8 Å²	154.8	135.6 Å²	135.6	72%	0.723	73%	0.725	S	S	*	*				99.8	82.1	90	-76.4	175.1	44.4	0	0	115.2	V2218 S2222 L2223	V2218-Q2220 WeakPolarHBondContact O-CB 3.49Å; V2218-Q2220 WeakPolarHBondContact O-CG 3.44Å; V2218-Q2220 PolarHBondContact O-NE2 2.71Å; Q2220-S2222 VanDerWaalsContact C-CB 3.44Å; Q2220-S2222 WeakPolarHBondContact CA-OG 2.8Å; Q2220-S2222 VanDerWaalsContact CB-OG 3.25Å; Q2220-S2222 WeakPolarHBondContact CB-OG 2.88Å; Q2220-S2222 WeakPolarHBondContact O-CB 3.49Å; Q2220-S2222 PolarHBondContact O-OG 2.97Å; Q2220-L2223 HydrophobicContact CB-CG 4.38Å; Q2220-L2223 HydrophobicContact CG-CG 4.29Å
2221	D	36	Very low	34.4	Very low	139.4 Å²	139.4	133 Å²	133	75%	0.745	72%	0.72	S	S	*	*				-93.7	115.2	129.1	-98.1	-13.7	0	0	0	110.3	L2219 D2224 R2225	L2219-D2221 PolarHBondContact O-N 3.46Å; D2221-D2224 HydrophobicContact CB-CB 4.34Å; D2221-R2225 VanDerWaalsContact CG-NH1 3.33Å; D2221-R2225 IonicContact OD1-CZ 3.58Å; D2221-R2225 IonicContact OD1-NH1 3.15Å; D2221-R2225 PolarHBondContact OD1-NH1 2.97Å; D2221-R2225 IonicContact OD1-NH2 3.67Å; D2221-R2225 PolarHBondContact OD1-NH2 3.49Å; D2221-R2225 IonicContact OD2-CZ 3.13Å; D2221-R2225 IonicContact OD2-NH1 2.83Å; D2221-R2225 PolarHBondContact OD2-NH1 3.43Å; D2221-R2225 IonicContact OD2-NH2 2.67Å; D2221-R2225 PolarHBondContact OD2-NH2 3.33Å
2222	S	28.8	Very low	34	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	72%	0.716	S	S	*	*				33.4	106	104.6	90.4	0	0	0	0	115.4	Q2220	Q2220-S2222 VanDerWaalsContact C-CB 3.44Å; Q2220-S2222 WeakPolarHBondContact CA-OG 2.8Å; Q2220-S2222 VanDerWaalsContact CB-OG 3.25Å; Q2220-S2222 WeakPolarHBondContact CB-OG 2.88Å; Q2220-S2222 WeakPolarHBondContact O-CB 3.49Å; Q2220-S2222 PolarHBondContact O-OG 2.97Å
2223	L	32.7	Very low	33.5	Very low	147 Å²	147	127.9 Å²	127.9	77%	0.77	71%	0.712	S	S	*	*			trans	60.2	126.5	161.7	-75.9	175.5	0	0	0	114.1	Q2220 R2225	Q2220-L2223 HydrophobicContact CB-CG 4.38Å; Q2220-L2223 HydrophobicContact CG-CG 4.29Å; L2223-R2225 PolarHBondContact O-N 3.08Å
2224	D	33.8	Very low	33.3	Very low	111.8 Å²	111.8	128.3 Å²	128.3	60%	0.598	71%	0.71	S	S	*	*			trans	-78.7	119.4	143.5	-131.1	7.3	0	0	0	112.1	D2221 C2226	D2221-D2224 HydrophobicContact CB-CB 4.34Å; D2224-C2226 PolarHBondContact OD1-N 2.78Å; D2224-C2226 PolarHBondContact OD2-SG 3.13Å; D2224-C2226 VanDerWaalsContact OD2-SG 3.4Å
2225	R	36.3	Very low	33	Very low	179.6 Å²	179.6	130.1 Å²	130.1	68%	0.678	71%	0.71	S	S	*	*				110.6	100.2	119.7	-132.2	153.8	-105	-177.1	3.6	113.1	D2221 L2223 Y2227	D2221-R2225 VanDerWaalsContact CG-NH1 3.33Å; D2221-R2225 IonicContact OD1-CZ 3.58Å; D2221-R2225 IonicContact OD1-NH1 3.15Å; D2221-R2225 PolarHBondContact OD1-NH1 2.97Å; D2221-R2225 IonicContact OD1-NH2 3.67Å; D2221-R2225 PolarHBondContact OD1-NH2 3.49Å; D2221-R2225 IonicContact OD2-CZ 3.13Å; D2221-R2225 IonicContact OD2-NH1 2.83Å; D2221-R2225 PolarHBondContact OD2-NH1 3.43Å; D2221-R2225 IonicContact OD2-NH2 2.67Å; D2221-R2225 PolarHBondContact OD2-NH2 3.33Å; L2223-R2225 PolarHBondContact O-N 3.08Å; R2225-Y2227 HydrophobicContact CB-CE2 4.35Å; R2225-Y2227 HydrophobicContact CG-CE2 3.91Å
2226	C	34.6	Very low	33.2	Very low	93.4 Å²	93.4	130 Å²	130	63%	0.631	71%	0.709	S	S	*	*				-169.3	137	52.4	-91	0	0	0	0	114.1	D2224 S2228	D2224-C2226 PolarHBondContact OD1-N 2.78Å; D2224-C2226 PolarHBondContact OD2-SG 3.13Å; D2224-C2226 VanDerWaalsContact OD2-SG 3.4Å; C2226-S2228 PolarHBondContact O-N 2.82Å
2227	Y	36.3	Very low	33.2	Very low	186.2 Å²	186.2	129.3 Å²	129.3	73%	0.73	71%	0.705	S	S	*	*				35.3	125.1	124.3	-60.9	-69.7	0	0	0	113.8	R2225	R2225-Y2227 HydrophobicContact CB-CE2 4.35Å; R2225-Y2227 HydrophobicContact CG-CE2 3.91Å
2228	S	31.1	Very low	33.2	Very low	101.4 Å²	101.4	128.1 Å²	128.1	71%	0.709	70%	0.704	S	S	*	*			cis	107.5	127.5	38.6	-65	0	0	0	0	113.5	C2226 P2230	C2226-S2228 PolarHBondContact O-N 2.82Å; S2228-P2230 WeakPolarHBondContact O-CD 3.49Å
2229	T	35	Very low	33	Very low	127.2 Å²	127.2	127.6 Å²	127.6	78%	0.78	71%	0.706	S	S	*	*			trans	-160.6	130.2	159.5	-21.7	0	0	0	0	111.7	L2259	T2229-L2259 HydrophobicContact CG2-CD1 4.12Å
2230	P	30.4	Very low	33	Very low	103 Å²	103	126 Å²	126	67%	0.669	71%	0.705	S	S	*	*				-129.9	174.3	128.7	40.3	-29	0	0	0	114	S2228 S2258	S2228-P2230 WeakPolarHBondContact O-CD 3.49Å; P2230-S2258 PolarHBondContact O-OG 3.31Å
2231	S	29.1	Very low	32.7	Very low	95.4 Å²	95.4	126.6 Å²	126.6	67%	0.667	71%	0.708	S	S	*	*			trans	56.2	123.9	143.5	18.7	0	0	0	0	117.1	S2258	S2231-S2258 CarbonylContact C-O 2.92Å; S2231-S2258 VanDerWaalsContact C-O 3.27Å; S2231-S2258 WeakPolarHBondContact O-CA 3.42Å; S2231-S2258 WeakPolarHBondContact O-CB 3.28Å; S2231-S2258 PolarHBondContact O-N 2.85Å; S2231-S2258 PolarHBondContact O-OG 2.9Å
2232	S	29.7	Very low	32.7	Very low	93.4 Å²	93.4	124.5 Å²	124.5	65%	0.653	70%	0.703	S	S	*	*			cis	-176.1	140.4	40.5	52.8	0	0	0	0	112.5	E1709 D1710 L2234 S2258	E1709-S2232 WeakPolarHBondContact O-CB 3.41Å; D1710-S2232 VanDerWaalsContact O-CB 3.24Å; D1710-S2232 WeakPolarHBondContact O-CB 3.02Å; D1710-S2232 PolarHBondContact O-OG 2.75Å; S2232-L2234 PolarHBondContact O-N 3.27Å; S2232-S2258 VanDerWaalsContact CA-O 3.22Å; S2232-S2258 WeakPolarHBondContact CA-O 3.19Å; S2232-S2258 PolarHBondContact N-O 2.8Å
2233	C	27.6	Very low	32.8	Very low	101 Å²	101	130.5 Å²	130.5	68%	0.682	71%	0.712	S	S	*	*			trans	37.2	145.7	134	45	0	0	0	0	116.8	E1708 E1709 D1710	E1708-C2233 VanDerWaalsContact CA-CB 3.45Å; E1708-C2233 VanDerWaalsContact CA-SG 3.55Å; E1708-C2233 HydrophobicContact CB-CB 4.49Å; E1708-C2233 PolarHBondContact O-SG 2.85Å; E1709-C2233 CarbonylContact C-O 3.06Å; E1709-C2233 VanDerWaalsContact CA-C 3.49Å; E1709-C2233 WeakPolarHBondContact CA-O 3.13Å; E1709-C2233 PolarHBondContact N-O 3.24Å; E1709-C2233 PolarHBondContact O-SG 2.93Å; D1710-C2233 PolarHBondContact N-O 2.69Å; D1710-C2233 VanDerWaalsContact N-O 3.13Å
2234	L	33.1	Very low	32.9	Very low	133.6 Å²	133.6	126.2 Å²	126.2	70%	0.699	70%	0.703	S	S	*	*			trans	109.4	140.8	140.6	-83.7	164.4	0	0	0	115	E1708 E1709 S2232	E1708-L2234 VanDerWaalsContact CA-N 3.3Å; E1708-L2234 HydrophobicContact CB-CB 3.68Å; E1708-L2234 HydrophobicContact CB-CD1 3.42Å; E1708-L2234 VanDerWaalsContact CB-CD1 3.42Å; E1708-L2234 HydrophobicContact CB-CD2 3.37Å; E1708-L2234 HydrophobicContact CB-CG 3.51Å; E1708-L2234 HydrophobicContact CG-CB 4.4Å; E1708-L2234 HydrophobicContact CG-CD2 3.85Å; E1708-L2234 HydrophobicContact CG-CG 4.38Å; E1708-L2234 WeakPolarHBondContact OE1-CA 3.19Å; E1708-L2234 WeakPolarHBondContact OE1-CD2 3.15Å; E1708-L2234 WeakPolarHBondContact OE2-CD2 3.14Å; E1709-L2234 HydrophobicContact CB-CB 4.23Å; E1709-L2234 HydrophobicContact CB-CD1 3.65Å; E1709-L2234 HydrophobicContact CB-CG 4.45Å; E1709-L2234 HydrophobicContact CG-CB 4.05Å; E1709-L2234 HydrophobicContact CG-CD1 3.64Å; E1709-L2234 HydrophobicContact CG-CG 4.2Å; E1709-L2234 VanDerWaalsContact N-CD1 3.3Å; S2232-L2234 PolarHBondContact O-N 3.27Å
2235	E	32.2	Very low	32.7	Very low	158 Å²	158	125.8 Å²	125.8	74%	0.738	71%	0.709	S	S	*	*				99.9	134.2	101.2	-112.3	-176.2	133.9	0	0	117.5
2236	Q	36.7	Very low	32.4	Very low	166.2 Å²	166.2	122 Å²	122	78%	0.777	71%	0.71	S	S	*	*			trans	-109.5	161.3	142.3	-71.8	-134.7	-38.2	0	0	112.7
2237	P	36.1	Very low	32.2	Very low	96.6 Å²	96.6	125.6 Å²	125.6	63%	0.627	72%	0.715	S	S	*	*			trans	-115.1	174.2	172.7	38.5	-28.4	0	0	0	112.3
2238	D	34	Very low	32.2	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	72%	0.72	S	S	*	*				160.9	115.6	68.6	-83.9	-31.3	0	0	0	114.1
2239	S	31.1	Very low	32.5	Very low	109.6 Å²	109.6	126.2 Å²	126.2	77%	0.766	72%	0.722	S	S	*	*				152.9	129.2	115.9	69.2	0	0	0	0	114.5
2240	C	30.8	Very low	32.7	Very low	110.4 Å²	110.4	128 Å²	128	75%	0.746	73%	0.726	S	S	*	*			trans	18.3	114.9	163	-63.4	0	0	0	0	117.2
2241	Q	32.2	Very low	33.1	Very low	167.4 Å²	167.4	131.7 Å²	131.7	78%	0.782	74%	0.735	S	S	*	*			trans	-21	139.3	132.8	-79.7	-72.6	-43.2	0	0	112.7
2242	P	36.3	Very low	33.6	Very low	96.8 Å²	96.8	134.4 Å²	134.4	63%	0.629	74%	0.737	S	S	*	*				-134.9	159.1	126.2	38.6	-24.8	0	0	0	115.4
2243	Y	30.9	Very low	34	Very low	220.4 Å²	220.4	137.3 Å²	137.3	86%	0.864	74%	0.737	S	S	*	*			trans	122.4	142.3	148.4	-135.9	-100.9	0	0	0	116.5	S2245	Y2243-S2245 WeakPolarHBondContact CE1-OG 3.41Å; Y2243-S2245 VanDerWaalsContact CZ-OG 3.3Å; Y2243-S2245 WeakPolarHBondContact OH-CB 3.45Å; Y2243-S2245 PolarHBondContact OH-OG 3.46Å
2244	G	33.4	Very low	34.3	Very low	56.4 Å²	56.4	138.9 Å²	138.9	58%	0.581	73%	0.734	S	S	*	*			trans	130	75.5	133.5	0	0	0	0	0	117.4
2245	S	29	Very low	34.4	Very low	102.2 Å²	102.2	138.1 Å²	138.1	72%	0.715	74%	0.735	S	S	*	*			trans	29	119.3	145.5	60.3	0	0	0	0	118.7	Y2243	Y2243-S2245 WeakPolarHBondContact CE1-OG 3.41Å; Y2243-S2245 VanDerWaalsContact CZ-OG 3.3Å; Y2243-S2245 WeakPolarHBondContact OH-CB 3.45Å; Y2243-S2245 PolarHBondContact OH-OG 3.46Å
2246	S	31.6	Very low	34.5	Very low	100.6 Å²	100.6	132.9 Å²	132.9	70%	0.703	72%	0.724	S	S	*	*			trans	87.3	139.8	136.1	73.4	0	0	0	0	115.5
2247	F	30.4	Very low	34.3	Very low	167.8 Å²	167.8	132.3 Å²	132.3	74%	0.736	72%	0.719	S	S	*	*				142.3	140.1	71.1	-101.2	-69.7	0	0	0	112.2
2248	Y	34.7	Very low	34.2	Very low	209.2 Å²	209.2	132.1 Å²	132.1	82%	0.82	72%	0.72	S	S	*	*			trans	75.6	141.6	161.5	-60.7	-70.8	0	0	0	116.1
2249	A	37.8	Very low	34.1	Very low	92.6 Å²	92.6	132.3 Å²	132.3	77%	0.765	72%	0.72	S	S	*	*			trans	-137	144.5	156.2	0	0	0	0	0	113.1
2250	L	39.9	Very low	34.5	Very low	164.4 Å²	164.4	133.6 Å²	133.6	86%	0.861	72%	0.718	S	S	*	*			trans	-148.1	152.7	157.8	-72.2	176.7	0	0	0	111.7
2251	E	38.8	Very low	35	Very low	181.4 Å²	181.4	134 Å²	134	85%	0.848	72%	0.717	S	S	*	*			trans	-102.5	159.6	-171.9	-75	164.3	170.7	0	0	112.3
2252	E	39	Very low	35.1	Very low	151.8 Å²	151.8	129.1 Å²	129.1	71%	0.709	71%	0.712	S	S	*	*			trans	-168.8	120.2	140.1	-168	163.6	-165	0	0	115.7	H2254	E2252-H2254 IonicContact OE1-CE1 3.99Å; E2252-H2254 PolarHBondContact OE1-CE1 2.69Å; E2252-H2254 VanDerWaalsContact OE1-CE1 3.23Å; E2252-H2254 IonicContact OE1-ND1 3.85Å
2253	K	37.4	Very low	35.2	Very low	153.8 Å²	153.8	132 Å²	132	67%	0.669	72%	0.717	S	S	*	*			trans	71.8	146.1	151.7	-70.5	-178.6	-177.3	154.3	0	116.3	E2311	K2253-E2311 VanDerWaalsContact NZ-CG 3.32Å
2254	H	35.2	Very low	35.7	Very low	133.8 Å²	133.8	127.6 Å²	127.6	62%	0.619	71%	0.707	S	S	*	*			cis	152.8	132.6	4.2	-91.9	-45	0	0	0	113.1	E2252	E2252-H2254 IonicContact OE1-CE1 3.99Å; E2252-H2254 PolarHBondContact OE1-CE1 2.69Å; E2252-H2254 VanDerWaalsContact OE1-CE1 3.23Å; E2252-H2254 IonicContact OE1-ND1 3.85Å
2255	V	35.1	Very low	35.9	Very low	117.2 Å²	117.2	132.1 Å²	132.1	71%	0.71	71%	0.713	S	S	*	*			trans	160.8	114.4	133.6	169.9	0	0	0	0	113.7	F2257	V2255-F2257 HydrophobicContact CG1-CE2 4.41Å
2256	G	33.2	Very low	36.5	Very low	49 Å²	49	134.4 Å²	134.4	51%	0.505	71%	0.71	S	S	.	*			trans	149.9	119.2	155.6	0	0	0	0	0	117.3	Y1516	Y1516-G2256 PolarHBondContact OH-O 2.84Å
2257	F	32.2	Very low	36.9	Very low	153.2 Å²	153.2	138.9 Å²	138.9	67%	0.672	72%	0.717	S	S	*	*			trans	43.9	137.5	155.7	-69.3	-84.3	0	0	0	115	V2255	V2255-F2257 HydrophobicContact CG1-CE2 4.41Å
2258	S	35.1	Very low	37.2	Very low	93.6 Å²	93.6	134.3 Å²	134.3	66%	0.655	72%	0.716	S	S	*	*			trans	-130.4	140.5	145	-68.3	0	0	0	0	112.9	P2230 S2231 S2232	P2230-S2258 PolarHBondContact O-OG 3.31Å; S2231-S2258 CarbonylContact C-O 2.92Å; S2231-S2258 VanDerWaalsContact C-O 3.27Å; S2231-S2258 WeakPolarHBondContact O-CA 3.42Å; S2231-S2258 WeakPolarHBondContact O-CB 3.28Å; S2231-S2258 PolarHBondContact O-N 2.85Å; S2231-S2258 PolarHBondContact O-OG 2.9Å; S2232-S2258 VanDerWaalsContact CA-O 3.22Å; S2232-S2258 WeakPolarHBondContact CA-O 3.19Å; S2232-S2258 PolarHBondContact N-O 2.8Å
2259	L	32.9	Very low	37.2	Very low	147.2 Å²	147.2	134.3 Å²	134.3	77%	0.771	72%	0.721	S	S	*	*			trans	26.1	123.7	140.3	-77.7	162.4	0	0	0	114.6	T2229 V2261	T2229-L2259 HydrophobicContact CG2-CD1 4.12Å; L2259-V2261 HydrophobicContact CD2-CG2 4.4Å
2260	D	38.4	Very low	37.2	Very low	135.6 Å²	135.6	133.5 Å²	133.5	73%	0.725	72%	0.722	S	S	*	*				-154.7	151.4	95	-156.5	2.5	0	0	0	112.1	G2262	D2260-G2262 PolarHBondContact OD1-N 3.29Å
2261	V	40.4	Very low	37.2	Very low	120 Å²	120	134.5 Å²	134.5	73%	0.727	72%	0.719	S	S	*	*			trans	-108.1	119.2	-179.5	179.9	0	0	0	0	113.2	L2259 E2263	L2259-V2261 HydrophobicContact CD2-CG2 4.4Å; V2261-E2263 HydrophobicContact CG1-CB 4.08Å; V2261-E2263 HydrophobicContact CG1-CG 4.3Å; V2261-E2263 PolarHBondContact O-N 2.82Å
2262	G	34.3	Very low	37.1	Very low	64 Å²	64	135.1 Å²	135.1	66%	0.66	72%	0.719	S	S	*	*			trans	-144.2	99.1	162	0	0	0	0	0	114.3	D2260 I2264 Q2708	D2260-G2262 PolarHBondContact OD1-N 3.29Å; G2262-I2264 PolarHBondContact O-N 2.82Å; G2262-Q2708 CarbonylContact O-C 3.44Å; G2262-Q2708 VanDerWaalsContact O-CB 3.32Å; G2262-Q2708 WeakPolarHBondContact O-CB 3.11Å
2263	E	38.8	Very low	37	Very low	157 Å²	157	138.7 Å²	138.7	73%	0.734	73%	0.726	S	S	*	*			trans	-87.5	141	165.6	-71.3	-155.3	133.2	0	0	112.7	V2261 K2266 Q2708	V2261-E2263 HydrophobicContact CG1-CB 4.08Å; V2261-E2263 HydrophobicContact CG1-CG 4.3Å; V2261-E2263 PolarHBondContact O-N 2.82Å; E2263-K2266 IonicContact OE1-NZ 3.81Å; E2263-K2266 PolarHBondContact OE1-NZ 3.41Å; E2263-Q2708 PolarHBondContact OE1-NE2 3.46Å
2264	I	42.2	Very low	37.1	Very low	129 Å²	129	142.9 Å²	142.9	66%	0.662	74%	0.738	S	S	*	*				-146.2	120.7	113.5	21.1	177.2	0	0	0	113.3	D1893 G2262 K2266 S2710	D1893-I2264 HydrophobicContact CB-CD1 4.41Å; G2262-I2264 PolarHBondContact O-N 2.82Å; I2264-K2266 VanDerWaalsContact C-N 3.29Å; I2264-K2266 PolarHBondContact O-N 3.09Å; I2264-S2710 PolarHBondContact N-O 3.19Å; I2264-S2710 WeakPolarHBondContact O-CB 3.46Å; I2264-S2710 PolarHBondContact O-OG 3.17Å
2265	E	38.2	Very low	37.1	Very low	149.8 Å²	149.8	140 Å²	140	70%	0.7	74%	0.743	S	S	*	*			trans	41.7	110.7	153.1	-69	-166.4	124.6	0	0	119.9	K2267 D2709 S2710	E2265-K2267 VanDerWaalsContact C-N 3.33Å; E2265-K2267 HydrophobicContact CB-CG 4.47Å; E2265-K2267 PolarHBondContact O-N 3.22Å; E2265-K2267 WeakPolarHBondContact OE1-CE 3.19Å; E2265-K2267 IonicContact OE1-NZ 2.75Å; E2265-K2267 PolarHBondContact OE1-NZ 2.7Å; E2265-K2267 IonicContact OE2-NZ 2.78Å; E2265-K2267 PolarHBondContact OE2-NZ 3.13Å; E2265-D2709 WeakPolarHBondContact CA-OD1 3.5Å; E2265-D2709 PolarHBondContact N-OD1 3.41Å; E2265-D2709 PolarHBondContact N-OD2 3.34Å; E2265-S2710 VanDerWaalsContact C-N 3.3Å; E2265-S2710 WeakPolarHBondContact O-CB 3.2Å; E2265-S2710 PolarHBondContact O-N 3.08Å
2266	K	41	Very low	37.5	Very low	152.2 Å²	152.2	144.8 Å²	144.8	66%	0.662	75%	0.748	S	S	*	*				-90	126	129.3	-103.5	158.7	-165.6	150	0	113.1	D1893 E1894 E2263 I2264 G2268 D2709	D1893-K2266 HydrophobicContact CB-CB 4.41Å; D1893-K2266 HydrophobicContact CB-CG 4.22Å; D1893-K2266 VanDerWaalsContact CG-CE 3.46Å; D1893-K2266 WeakPolarHBondContact OD1-CE 3.4Å; D1893-K2266 IonicContact OD1-NZ 2.76Å; D1893-K2266 PolarHBondContact OD1-NZ 2.61Å; D1893-K2266 WeakPolarHBondContact OD2-CD 3.06Å; D1893-K2266 WeakPolarHBondContact OD2-CE 3.17Å; D1893-K2266 WeakPolarHBondContact OD2-CG 3.45Å; D1893-K2266 IonicContact OD2-NZ 3.24Å; D1893-K2266 PolarHBondContact OD2-NZ 3.06Å; E1894-K2266 WeakPolarHBondContact O-CE 3.19Å; E1894-K2266 WeakPolarHBondContact O-CG 3.16Å; E2263-K2266 IonicContact OE1-NZ 3.81Å; E2263-K2266 PolarHBondContact OE1-NZ 3.41Å; I2264-K2266 VanDerWaalsContact C-N 3.29Å; I2264-K2266 PolarHBondContact O-N 3.09Å; K2266-G2268 VanDerWaalsContact C-N 3.26Å; K2266-G2268 PolarHBondContact O-N 3.27Å; K2266-D2709 PolarHBondContact N-OD1 2.71Å
2267	K	40.7	Very low	37.9	Very low	194.6 Å²	194.6	153.3 Å²	153.3	85%	0.846	77%	0.765	S	S	*	*			trans	-80.5	102.3	169.9	-69.8	-179	-179.4	153.3	0	113	E2265 K2269 D2712	E2265-K2267 VanDerWaalsContact C-N 3.33Å; E2265-K2267 HydrophobicContact CB-CG 4.47Å; E2265-K2267 PolarHBondContact O-N 3.22Å; E2265-K2267 WeakPolarHBondContact OE1-CE 3.19Å; E2265-K2267 IonicContact OE1-NZ 2.75Å; E2265-K2267 PolarHBondContact OE1-NZ 2.7Å; E2265-K2267 IonicContact OE2-NZ 2.78Å; E2265-K2267 PolarHBondContact OE2-NZ 3.13Å; K2267-K2269 PolarHBondContact O-N 2.98Å; K2267-D2712 IonicContact NZ-OD2 3.23Å; K2267-D2712 PolarHBondContact NZ-OD2 3.5Å
2268	G	35.5	Very low	38.2	Very low	70.2 Å²	70.2	151.2 Å²	151.2	72%	0.724	77%	0.77	S	S	*	*			trans	-111.1	122.9	177.5	0	0	0	0	0	113.2	K2266 G2270	K2266-G2268 VanDerWaalsContact C-N 3.26Å; K2266-G2268 PolarHBondContact O-N 3.27Å; G2268-G2270 PolarHBondContact O-N 3.33Å; G2268-G2270 VanDerWaalsContact O-N 3.12Å
2269	K	35.5	Very low	38.4	Very low	210.4 Å²	210.4	154.7 Å²	154.7	92%	0.915	77%	0.773	S	S	*	*			trans	-102.2	110.5	149.7	-66.3	179.7	-179.4	174.1	0	110.8	K2267 K2271	K2267-K2269 PolarHBondContact O-N 2.98Å; K2269-K2271 PolarHBondContact O-N 3.37Å
2270	G	37.4	Very low	38.7	Very low	76 Å²	76	157.3 Å²	157.3	78%	0.784	78%	0.778	S	S	*	*			trans	-117.9	89	178.4	0	0	0	0	0	115.8	G2268	G2268-G2270 PolarHBondContact O-N 3.33Å; G2268-G2270 VanDerWaalsContact O-N 3.12Å
2271	K	39.3	Very low	38.5	Very low	184 Å²	184	157.8 Å²	157.8	80%	0.8	78%	0.777	S	S	*	*			trans	-47.2	119.2	174.2	-85.3	-179.1	-179.5	176.6	0	115.6	L1900 Q1901 K2269 R2273	L1900-K2271 VanDerWaalsContact C-NZ 3.31Å; L1900-K2271 HydrophobicContact CB-CD 4.29Å; L1900-K2271 VanDerWaalsContact CB-NZ 3.29Å; L1900-K2271 VanDerWaalsContact O-CD 3.29Å; L1900-K2271 WeakPolarHBondContact O-CD 3.36Å; L1900-K2271 WeakPolarHBondContact O-CE 3.35Å; L1900-K2271 PolarHBondContact O-NZ 2.62Å; Q1901-K2271 WeakPolarHBondContact O-CE 3.38Å; Q1901-K2271 PolarHBondContact O-NZ 3Å; K2269-K2271 PolarHBondContact O-N 3.37Å; K2271-R2273 PolarHBondContact O-N 3.01Å
2272	K	37.5	Very low	38.3	Very low	195.6 Å²	195.6	161 Å²	161	85%	0.85	78%	0.776	S	S	*	*			trans	-142	121.8	148.7	-81.9	162.8	-177.5	176.3	0	113.9
2273	R	36.5	Very low	38.5	Very low	227 Å²	227	167.8 Å²	167.8	86%	0.857	78%	0.781	S	S	*	*			trans	55.1	130	135.1	-74.9	175.2	170.7	-175.2	-3.6	118.2	K2271	K2271-R2273 PolarHBondContact O-N 3.01Å
2274	R	39.9	Very low	38.5	Very low	242.4 Å²	242.4	171.4 Å²	171.4	92%	0.915	79%	0.788	S	S	*	*				173.3	121.1	112.9	-102.2	169.8	-176.2	-167.9	0.9	112.6
2275	G	36.1	Very low	38.2	Very low	71.2 Å²	71.2	168.8 Å²	168.8	73%	0.734	79%	0.793	S	S	*	*			trans	-178.5	97.4	147.1	0	0	0	0	0	111.9
2276	R	41.6	Very low	38.2	Very low	217.8 Å²	217.8	171.7 Å²	171.7	82%	0.822	80%	0.798	S	S	*	*			trans	-121.5	117.4	157.2	-75.8	-172.9	-173.7	-166.7	2.2	110.2	K2025 Y2417	K2025-R2276 PolarHBondContact NZ-O 3.15Å; R2276-Y2417 VanDerWaalsContact NH2-CD1 3.34Å
2277	R	41.8	Very low	38	Very low	227.8 Å²	227.8	171.9 Å²	171.9	86%	0.86	80%	0.799	S	S	*	*				-172.4	108.7	102.8	-83.7	178.2	177.7	179.7	-1.6	112.4
2278	S	39.4	Very low	37.9	Very low	110.8 Å²	110.8	168.9 Å²	168.9	78%	0.775	79%	0.788	S	S	*	*			trans	-68.1	136.9	138.4	54.9	0	0	0	0	111
2279	K	39.4	Very low	37.9	Very low	166.4 Å²	166.4	168.4 Å²	168.4	72%	0.723	78%	0.783	S	S	*	*			trans	-79.5	132.8	134.4	-93.5	176.8	178.1	175.1	0	110.9	E2281 E2421 Q2422	K2279-E2281 PolarHBondContact O-N 3.44Å; K2279-E2281 VanDerWaalsContact O-N 3.13Å; K2279-E2421 WeakPolarHBondContact CD-OE2 3.22Å; K2279-E2421 WeakPolarHBondContact CE-OE2 3.2Å; K2279-E2421 VanDerWaalsContact CG-OE2 3.3Å; K2279-E2421 WeakPolarHBondContact CG-OE2 3.38Å; K2279-E2421 VanDerWaalsContact NZ-CD 3.33Å; K2279-E2421 IonicContact NZ-OE2 3.36Å; K2279-E2421 PolarHBondContact NZ-OE2 2.8Å; K2279-Q2422 PolarHBondContact NZ-O 2.69Å
2280	K	38.2	Very low	38	Very low	201 Å²	201	166.5 Å²	166.5	87%	0.874	78%	0.777	S	S	*	*			trans	-72.4	124.3	155.6	-113.7	176.2	179.9	-179.7	0	111.7	R2282	K2280-R2282 HydrophobicContact CB-CB 4.48Å
2281	E	35.3	Very low	38	Very low	147.6 Å²	147.6	171.2 Å²	171.2	69%	0.69	78%	0.779	S	S	*	*			trans	-101.2	143	170.4	-168.8	177.7	154.8	0	0	109.6	K2279 R2283	K2279-E2281 PolarHBondContact O-N 3.44Å; K2279-E2281 VanDerWaalsContact O-N 3.13Å; E2281-R2283 WeakPolarHBondContact OE1-CD 3.5Å
2282	R	36.8	Very low	38	Very low	187.2 Å²	187.2	169.2 Å²	169.2	71%	0.706	78%	0.777	S	S	*	*			trans	104.6	109.3	154.2	-89.4	170.7	95.3	119.5	-5.6	113.7	K2280 R2284	K2280-R2282 HydrophobicContact CB-CB 4.48Å; R2282-R2284 PolarHBondContact O-N 3.29Å
2283	R	37.9	Very low	38	Very low	205.2 Å²	205.2	166.7 Å²	166.7	77%	0.774	77%	0.768	S	S	*	*				-39	124.7	111.1	-81.4	178.1	176.3	-177.3	-3.7	111.4	E2281 G2285	E2281-R2283 WeakPolarHBondContact OE1-CD 3.5Å; R2283-G2285 PolarHBondContact O-N 2.91Å; R2283-G2285 VanDerWaalsContact O-N 3.12Å
2284	R	38.2	Very low	38	Very low	233.2 Å²	233.2	162.9 Å²	162.9	88%	0.88	77%	0.765	S	S	*	*			trans	44.6	107.9	138.8	-76.5	177.5	177.9	-174	-2.3	112.3	R2282	R2282-R2284 PolarHBondContact O-N 3.29Å
2285	G	35.5	Very low	38.2	Very low	74.6 Å²	74.6	156.6 Å²	156.6	77%	0.769	76%	0.755	S	S	*	*				-136.7	118.8	119.3	0	0	0	0	0	111	R2283	R2283-G2285 PolarHBondContact O-N 2.91Å; R2283-G2285 VanDerWaalsContact O-N 3.12Å
2286	R	39.5	Very low	38.3	Very low	210.8 Å²	210.8	159 Å²	159	80%	0.795	76%	0.758	S	S	*	*			trans	-142.1	132.7	158.1	-116.4	175	176.8	177.7	-3.6	107
2287	K	36.9	Very low	37.8	Very low	155.8 Å²	155.8	154.3 Å²	154.3	68%	0.677	76%	0.757	S	S	*	*				-96.5	119.8	71	-102.5	-171.5	173.5	-139.6	0	110	L2136 D2137 E2138 G2289	L2136-K2287 HydrophobicContact CD1-CD 4.42Å; L2136-K2287 HydrophobicContact CD1-CG 3.56Å; D2137-K2287 PolarHBondContact O-NZ 3.38Å; E2138-K2287 IonicContact OE1-NZ 3.44Å; E2138-K2287 PolarHBondContact OE1-NZ 3.44Å; K2287-G2289 PolarHBondContact O-N 2.79Å
2288	E	37.9	Very low	37.7	Very low	131.4 Å²	131.4	148.9 Å²	148.9	61%	0.614	75%	0.751	S	S	*	*			trans	-42.5	140.2	147.5	-69	142.8	-153.9	0	0	111.7	I1945	I1945-E2288 WeakPolarHBondContact CG2-OE1 3.06Å
2289	G	34.9	Very low	37.5	Very low	60.8 Å²	60.8	154.8 Å²	154.8	63%	0.627	76%	0.757	S	S	*	*			trans	-173.7	130.1	169.1	0	0	0	0	0	111.7	K2287	K2287-G2289 PolarHBondContact O-N 2.79Å
2290	E	38.3	Very low	37.2	Very low	169.4 Å²	169.4	154.7 Å²	154.7	79%	0.792	76%	0.763	S	S	*	*				-72.1	130.8	78.4	-125.9	162.2	164.7	0	0	110.8
2291	E	37.7	Very low	37.2	Very low	174.8 Å²	174.8	149.9 Å²	149.9	82%	0.817	76%	0.755	S	S	*	*			trans	-133.4	134.6	140.5	-93	173.1	159.8	0	0	110
2292	D	38.6	Very low	37.5	Very low	141.8 Å²	141.8	153.3 Å²	153.3	76%	0.758	76%	0.761	S	S	*	*			trans	-144.7	177.4	134.1	-138.7	6.3	0	0	0	111.4
2293	Q	37.7	Very low	37.5	Very low	144 Å²	144	152.4 Å²	152.4	67%	0.673	77%	0.765	S	S	*	*				-113.6	140.3	-129.1	-74.6	-90.8	-1.5	0	0	112.5	P2295	Q2293-P2295 WeakPolarHBondContact O-CD 2.95Å
2294	N	36.1	Very low	37.4	Very low	146.4 Å²	146.4	149.3 Å²	149.3	78%	0.783	76%	0.763	S	S	*	*				-101.4	137.3	129.9	-73.8	-85	0	0	0	115.1
2295	P	43.4	Very low	37.3	Very low	109.8 Å²	109.8	145.1 Å²	145.1	71%	0.713	76%	0.758	S	S	*	*			trans	-98.7	170.3	161.3	36.3	-32.9	0	0	0	114.4	Q2293 C2297	Q2293-P2295 WeakPolarHBondContact O-CD 2.95Å; P2295-C2297 PolarHBondContact O-N 2.93Å; P2295-C2297 PolarHBondContact O-SG 2.94Å
2296	P	38.3	Very low	37.5	Very low	122.2 Å²	122.2	148.2 Å²	148.2	79%	0.794	76%	0.756	S	S	*	*			trans	-104.3	147.8	-156.7	36.1	-30.5	0	0	0	115.1
2297	C	31.7	Very low	37.3	Very low	118.8 Å²	118.8	145.3 Å²	145.3	80%	0.803	75%	0.752	S	S	*	*			trans	-111.8	174.9	161.2	-64.9	0	0	0	0	114.3	P2295	P2295-C2297 PolarHBondContact O-N 2.93Å; P2295-C2297 PolarHBondContact O-SG 2.94Å
2298	P	41.1	Very low	37.5	Very low	114.4 Å²	114.4	146.6 Å²	146.6	74%	0.743	76%	0.758	S	S	*	*				-134.3	153	-92.1	32.7	-11.4	0	0	0	116.3
2299	R	34.3	Very low	37.2	Very low	235.6 Å²	235.6	143.3 Å²	143.3	89%	0.889	76%	0.759	S	S	*	*			trans	-165.2	137.6	161.3	-84.7	-173.3	168	146.8	-0.2	117.1
2300	L	33.9	Very low	37.2	Very low	164.2 Å²	164.2	145.2 Å²	145.2	86%	0.86	76%	0.76	S	S	*	*			trans	26.8	126.3	161.5	-57.9	176.1	0	0	0	115.2
2301	S	37.9	Very low	37	Very low	100.2 Å²	100.2	144 Å²	144	70%	0.701	76%	0.755	S	S	*	*				162.4	141.1	117.8	60.6	0	0	0	0	110.9	R1886 L1887	R1886-S2301 PolarHBondContact N-OG 2.8Å; L1887-S2301 PolarHBondContact N-OG 3.49Å
2302	R	41.8	Very low	37	Very low	218.2 Å²	218.2	141 Å²	141	82%	0.823	75%	0.748	S	S	*	*				162.4	112.6	106.9	-167.7	177.4	-176.7	163.3	2.3	110.4	L2304	R2302-L2304 HydrophobicContact CG-CD2 4.25Å
2303	E	37	Very low	36.7	Very low	169.2 Å²	169.2	140.9 Å²	140.9	79%	0.791	75%	0.747	S	S	*	*			trans	-35.6	146.1	144.2	-60.1	163.6	154.8	0	0	112.6
2304	L	34.1	Very low	36.6	Very low	139.2 Å²	139.2	141.9 Å²	141.9	73%	0.729	75%	0.752	S	S	*	*			trans	-153.2	131.2	131.8	-86.3	176.8	0	0	0	109.2	R2302	R2302-L2304 HydrophobicContact CG-CD2 4.25Å
2305	L	36.4	Very low	36.5	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	75%	0.748	S	S	*	*			trans	68.5	126.6	141.9	-65.4	170.9	0	0	0	113.9	E2307	L2305-E2307 HydrophobicContact CD2-CG 3.9Å
2306	D	39.6	Very low	35.9	Very low	138.6 Å²	138.6	140.8 Å²	140.8	74%	0.741	75%	0.748	S	S	*	*			cis	-161.2	147.2	33.8	-110.2	-26.6	0	0	0	111.1
2307	E	36.1	Very low	35.6	Very low	151.2 Å²	151.2	142.3 Å²	142.3	71%	0.707	75%	0.748	S	S	*	*			trans	75	110.7	149.8	-73.6	-154.3	146.7	0	0	115.5	L2305	L2305-E2307 HydrophobicContact CD2-CG 3.9Å
2308	K	40.3	Very low	35.7	Very low	182.6 Å²	182.6	142.6 Å²	142.6	79%	0.794	74%	0.742	S	S	*	*				-132.1	144.9	112.5	-61.8	-60.8	173.1	-162.9	0	109.8
2309	G	31.2	Very low	35.3	Very low	62.2 Å²	62.2	146.9 Å²	146.9	64%	0.641	74%	0.743	S	S	*	*			cis	150.1	155.7	20	0	0	0	0	0	108.6
2310	P	36.2	Very low	35	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	74%	0.736	S	S	*	*			cis	-98.8	-170.2	-47.8	20.1	-5.2	0	0	0	112.4	Y1935 V2312	Y1935-P2310 HydrophobicContact CE1-CG 4.39Å; P2310-V2312 HydrophobicContact CB-CG2 4.34Å
2311	E	33.3	Very low	34.9	Very low	143.6 Å²	143.6	142.6 Å²	142.6	67%	0.671	73%	0.732	S	S	*	*				61.8	144	119.5	-62.4	179	-143.9	0	0	115	L1938 A1939 L1940 K2253	L1938-E2311 VanDerWaalsContact CA-OE1 3.25Å; L1938-E2311 WeakPolarHBondContact CA-OE1 3.47Å; L1938-E2311 VanDerWaalsContact CB-OE1 3.29Å; L1938-E2311 WeakPolarHBondContact CB-OE1 3.38Å; L1938-E2311 VanDerWaalsContact CD2-CD 3.48Å; L1938-E2311 HydrophobicContact CD2-CG 3.84Å; A1939-E2311 VanDerWaalsContact C-OE1 3.3Å; A1939-E2311 PolarHBondContact N-OE1 3.15Å; L1940-E2311 HydrophobicContact CD2-CB 4.38Å; L1940-E2311 HydrophobicContact CD2-CG 4.45Å; L1940-E2311 WeakPolarHBondContact CD2-OE2 3.22Å; L1940-E2311 VanDerWaalsContact CG-OE2 3.3Å; L1940-E2311 WeakPolarHBondContact CG-OE2 3.22Å; L1940-E2311 PolarHBondContact N-OE1 2.9Å; K2253-E2311 VanDerWaalsContact NZ-CG 3.32Å
2312	V	37.3	Very low	34.5	Very low	111.2 Å²	111.2	142.5 Å²	142.5	67%	0.674	73%	0.732	S	S	*	*			cis	-149.4	155.1	22.5	-143.8	0	0	0	0	109.7	P2310 Q2314	P2310-V2312 HydrophobicContact CB-CG2 4.34Å; V2312-Q2314 HydrophobicContact CG1-CG 4.18Å
2313	L	33.4	Very low	34	Very low	139.8 Å²	139.8	137.9 Å²	137.9	73%	0.732	73%	0.728	S	S	*	*			trans	35.8	119	155.8	-77.2	153.6	0	0	0	114.7	L1940 D2315	L1940-L2313 HydrophobicContact CD2-CD1 4.22Å; L2313-D2315 PolarHBondContact O-N 2.89Å
2314	Q	34.6	Very low	33.8	Very low	166.2 Å²	166.2	135.6 Å²	135.6	78%	0.777	73%	0.728	S	S	*	*				25.9	110.3	99.5	-72.1	-177.6	-13.1	0	0	113.1	V2312 S2316	V2312-Q2314 HydrophobicContact CG1-CG 4.18Å; Q2314-S2316 WeakPolarHBondContact O-CB 3.29Å
2315	D	35	Very low	33.5	Very low	130.8 Å²	130.8	133.9 Å²	133.9	70%	0.699	73%	0.728	S	S	*	*			trans	-124.4	98.7	141	-73.6	-23.1	0	0	0	111	R1944 L2313 L2317	R1944-D2315 IonicContact NH2-OD2 2.71Å; R1944-D2315 PolarHBondContact NH2-OD2 2.77Å; L2313-D2315 PolarHBondContact O-N 2.89Å; D2315-L2317 HydrophobicContact CB-CD2 4.46Å; D2315-L2317 HydrophobicContact CB-CG 4.43Å
2316	S	30.9	Very low	33.1	Very low	101.8 Å²	101.8	129.5 Å²	129.5	71%	0.712	72%	0.718	S	S	*	*				50.6	108.1	92.5	82.5	0	0	0	0	111.6	Q2314	Q2314-S2316 WeakPolarHBondContact O-CB 3.29Å
2317	L	31	Very low	32.5	Very low	153.6 Å²	153.6	127.9 Å²	127.9	80%	0.804	72%	0.716	S	S	*	*			trans	45.5	115.3	146.9	-64.7	173.5	0	0	0	114.2	D2315 R2319	D2315-L2317 HydrophobicContact CB-CD2 4.46Å; D2315-L2317 HydrophobicContact CB-CG 4.43Å; L2317-R2319 VanDerWaalsContact C-N 3.31Å; L2317-R2319 PolarHBondContact O-N 2.69Å
2318	D	34.2	Very low	32.1	Very low	125.4 Å²	125.4	127.1 Å²	127.1	67%	0.671	72%	0.716	S	S	*	*			trans	-118	108.6	153.7	-83.3	-18.1	0	0	0	112.2
2319	R	32.9	Very low	31.7	Very low	204.8 Å²	204.8	126.3 Å²	126.3	77%	0.773	72%	0.715	S	S	*	*			cis	-153.9	115.5	37.6	-149	168.7	-106.9	-151.7	-6.4	113.2	L2317 Y2321	L2317-R2319 VanDerWaalsContact C-N 3.31Å; L2317-R2319 PolarHBondContact O-N 2.69Å; R2319-Y2321 HydrophobicContact CG-CD2 4.08Å; R2319-Y2321 HydrophobicContact CG-CE2 4.18Å; R2319-Y2321 PolarHBondContact O-N 2.92Å
2320	C	27.9	Very low	31.6	Very low	109 Å²	109	130.6 Å²	130.6	74%	0.736	72%	0.723	S	S	*	*			trans	-59.6	100	171	-70.4	0	0	0	0	114.6	S2322	C2320-S2322 VanDerWaalsContact C-N 3.25Å; C2320-S2322 WeakPolarHBondContact CB-OG 3.3Å; C2320-S2322 PolarHBondContact O-N 2.81Å; C2320-S2322 PolarHBondContact SG-OG 3.19Å; C2320-S2322 VanDerWaalsContact SG-OG 3.35Å
2321	Y	31	Very low	31.3	Very low	199 Å²	199	131.4 Å²	131.4	78%	0.78	73%	0.725	S	S	*	*			trans	-103.7	115.6	145.1	-78.8	-79	0	0	0	108.8	R2319	R2319-Y2321 HydrophobicContact CG-CD2 4.08Å; R2319-Y2321 HydrophobicContact CG-CE2 4.18Å; R2319-Y2321 PolarHBondContact O-N 2.92Å
2322	S	30.7	Very low	31.2	Very low	98.6 Å²	98.6	130.7 Å²	130.7	69%	0.69	73%	0.726	S	S	*	*			trans	161.9	101.3	139	-60.5	0	0	0	0	112.8	C2320 P2324	C2320-S2322 VanDerWaalsContact C-N 3.25Å; C2320-S2322 WeakPolarHBondContact CB-OG 3.3Å; C2320-S2322 PolarHBondContact O-N 2.81Å; C2320-S2322 PolarHBondContact SG-OG 3.19Å; C2320-S2322 VanDerWaalsContact SG-OG 3.35Å; S2322-P2324 WeakPolarHBondContact O-CD 3.12Å
2323	T	31.6	Very low	30.8	Very low	122.6 Å²	122.6	130.1 Å²	130.1	75%	0.752	73%	0.728	S	S	*	*			trans	-85.2	149.4	134.6	-34.6	0	0	0	0	110.7	S2325	T2323-S2325 PolarHBondContact O-N 3.44Å
2324	P	30.9	Very low	30.7	Very low	120.6 Å²	120.6	128.6 Å²	128.6	78%	0.783	73%	0.727	S	S	*	*				-112.4	132.6	117.5	26.3	-16.8	0	0	0	113.7	S2322 G2326	S2322-P2324 WeakPolarHBondContact O-CD 3.12Å; P2324-G2326 PolarHBondContact O-N 2.63Å
2325	S	28.2	Very low	30.5	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	73%	0.725	S	S	*	*			trans	-152.5	117.7	146.4	56.5	0	0	0	0	112.2	T2323 D2381	T2323-S2325 PolarHBondContact O-N 3.44Å; S2325-D2381 WeakPolarHBondContact CA-OD1 3.17Å; S2325-D2381 WeakPolarHBondContact CB-OD1 3.06Å
2326	G	28.6	Very low	30.4	Very low	54.8 Å²	54.8	126.9 Å²	126.9	57%	0.565	72%	0.724	S	S	*	*			trans	126	100.7	142.9	0	0	0	0	0	113.3	P2324 L2380 D2381 L2403	P2324-G2326 PolarHBondContact O-N 2.63Å; G2326-L2380 VanDerWaalsContact C-C 3.48Å; G2326-L2380 CarbonylContact C-O 3.3Å; G2326-L2380 PolarHBondContact N-O 3.18Å; G2326-L2380 CarbonylContact O-C 3.23Å; G2326-L2380 PolarHBondContact O-N 2.63Å; G2326-D2381 PolarHBondContact N-OD1 2.9Å; G2326-D2381 PolarHBondContact N-OD2 3.49Å; G2326-L2403 WeakPolarHBondContact O-CD1 3.41Å
2327	C	26.9	Very low	30.3	Very low	104 Å²	104	132.5 Å²	132.5	70%	0.703	73%	0.731	S	S	*	*			trans	59.9	112.1	136.3	-61.1	0	0	0	0	116.6	D2381	C2327-D2381 HydrophobicContact CB-CB 3.15Å; C2327-D2381 WeakPolarHBondContact SG-CB 3.31Å; C2327-D2381 PolarHBondContact SG-N 3.02Å
2328	L	27.9	Very low	30.2	Very low	134 Å²	134	135.7 Å²	135.7	70%	0.702	73%	0.733	S	S	*	*				97.8	139.7	56.6	-88.2	154.3	0	0	0	112.6	L2330 L2379	L2328-L2330 VanDerWaalsContact C-N 3.32Å; L2328-L2330 PolarHBondContact O-N 2.87Å; L2328-L2379 WeakPolarHBondContact O-CD1 3.12Å
2329	E	31.1	Very low	30.1	Very low	165.8 Å²	165.8	133.9 Å²	133.9	78%	0.775	73%	0.73	S	S	*	*			trans	54.6	103.4	141.2	-82.4	171.9	-157	0	0	114.9	T2331	E2329-T2331 PolarHBondContact O-N 3.07Å; E2329-T2331 PolarHBondContact O-OG1 2.95Å
2330	L	29.7	Very low	30	Very low	154 Å²	154	127.3 Å²	127.3	81%	0.806	72%	0.719	S	S	*	*				-64.6	137.9	120.8	-83.5	176.7	0	0	0	110.6	L2328	L2328-L2330 VanDerWaalsContact C-N 3.32Å; L2328-L2330 PolarHBondContact O-N 2.87Å
2331	T	31.2	Very low	29.9	Very low	115.8 Å²	115.8	129.8 Å²	129.8	71%	0.71	72%	0.717	S	S	*	*			trans	86.3	92.3	151.3	-38.7	0	0	0	0	113.6	E2329	E2329-T2331 PolarHBondContact O-N 3.07Å; E2329-T2331 PolarHBondContact O-OG1 2.95Å
2332	D	30.6	Very low	29.9	Very low	129.2 Å²	129.2	130.2 Å²	130.2	69%	0.691	72%	0.719	S	S	*	*				76.6	106.7	124.1	-80.3	-21.4	0	0	0	114.8	R2530	D2332-R2530 PolarHBondContact O-NH1 3.25Å; D2332-R2530 PolarHBondContact O-NH2 3.3Å
2333	S	27.5	Very low	29.8	Very low	100 Å²	100	132 Å²	132	70%	0.699	72%	0.72	S	S	*	*				100.8	118.8	109.2	74	0	0	0	0	115.7	Q2335 R2530	S2333-Q2335 PolarHBondContact O-N 3.38Å; S2333-R2530 PolarHBondContact O-NH1 3.38Å
2334	C	31.6	Very low	29.7	Very low	107 Å²	107	133.2 Å²	133.2	72%	0.723	72%	0.721	S	S	*	*			trans	31.2	110.5	140	-65.9	0	0	0	0	116.3	P2336	C2334-P2336 WeakPolarHBondContact O-CD 3.35Å
2335	Q	30.3	Very low	29.7	Very low	157.4 Å²	157.4	135.1 Å²	135.1	74%	0.736	72%	0.719	S	S	*	*			trans	-42.1	109.7	146.7	-72.1	-65.4	-30.6	0	0	114.7	S2333 Y2337	S2333-Q2335 PolarHBondContact O-N 3.38Å; Q2335-Y2337 PolarHBondContact O-N 2.82Å; Q2335-Y2337 VanDerWaalsContact O-N 3.14Å
2336	P	33.2	Very low	29.9	Very low	105.2 Å²	105.2	137.5 Å²	137.5	68%	0.683	72%	0.719	S	S	*	*			trans	-84.7	118.7	162.2	26.3	-21.4	0	0	0	110.9	C2334 R2338	C2334-P2336 WeakPolarHBondContact O-CD 3.35Å; P2336-R2338 PolarHBondContact O-N 2.9Å; P2336-R2338 VanDerWaalsContact O-N 3.09Å
2337	Y	29.2	Very low	30.1	Very low	218.4 Å²	218.4	143.1 Å²	143.1	86%	0.856	73%	0.73	S	S	*	*			trans	-80.4	123	152.7	-117.4	-98.9	0	0	0	111.4	Q2335 S2339	Q2335-Y2337 PolarHBondContact O-N 2.82Å; Q2335-Y2337 VanDerWaalsContact O-N 3.14Å; Y2337-S2339 PolarHBondContact O-N 3.38Å
2338	R	29.2	Very low	30.3	Very low	222 Å²	222	143.4 Å²	143.4	84%	0.838	73%	0.732	S	S	*	*			trans	-109.8	108.5	172.8	-122.5	-141.6	-176.1	-164.5	2.3	109.8	P2336 A2340 Q2654	P2336-R2338 PolarHBondContact O-N 2.9Å; P2336-R2338 VanDerWaalsContact O-N 3.09Å; R2338-A2340 HydrophobicContact CG-CB 4.07Å; R2338-A2340 PolarHBondContact O-N 2.84Å; R2338-Q2654 VanDerWaalsContact C-NE2 3.31Å; R2338-Q2654 PolarHBondContact O-NE2 3.35Å
2339	S	31.3	Very low	30.5	Very low	87.2 Å²	87.2	143.3 Å²	143.3	61%	0.61	74%	0.737	S	S	*	*			trans	-98.6	121.8	156.4	66.3	0	0	0	0	111.5	Y2337 F2341 L2652 G2653	Y2337-S2339 PolarHBondContact O-N 3.38Å; S2339-F2341 PolarHBondContact O-N 2.84Å; S2339-L2652 VanDerWaalsContact OG-C 3.24Å; S2339-L2652 WeakPolarHBondContact OG-CA 3.5Å; S2339-L2652 PolarHBondContact OG-N 2.8Å; S2339-L2652 VanDerWaalsContact OG-N 3.16Å; S2339-G2653 PolarHBondContact OG-N 3.03Å
2340	A	30.5	Very low	30.5	Very low	64.8 Å²	64.8	138.8 Å²	138.8	54%	0.536	74%	0.735	S	S	.	*			trans	-31.8	125.4	173.1	0	0	0	0	0	111.4	R2338 G2653	R2338-A2340 HydrophobicContact CG-CB 4.07Å; R2338-A2340 PolarHBondContact O-N 2.84Å; A2340-G2653 CarbonylContact C-O 3.18Å; A2340-G2653 WeakPolarHBondContact CA-O 3Å; A2340-G2653 PolarHBondContact N-O 2.78Å
2341	F	26.2	Very low	30.7	Very low	161.8 Å²	161.8	139.3 Å²	139.3	71%	0.71	74%	0.738	S	S	*	*				79.8	125.8	122.4	-74.8	-84.3	0	0	0	114.1	S2339 I2343 Q2654 P2655 S2954	S2339-F2341 PolarHBondContact O-N 2.84Å; F2341-I2343 HydrophobicContact CD1-CD1 3.52Å; F2341-I2343 HydrophobicContact CD1-CG1 4.1Å; F2341-I2343 HydrophobicContact CE1-CD1 3.86Å; F2341-I2343 HydrophobicContact CE1-CG1 4.36Å; F2341-Q2654 VanDerWaalsContact C-C 3.41Å; F2341-P2655 VanDerWaalsContact C-CD 3.48Å; F2341-P2655 PolarHBondContact N-O 3.36Å; F2341-P2655 CarbonylContact O-C 3.57Å; F2341-P2655 WeakPolarHBondContact O-CD 3.22Å; F2341-S2954 VanDerWaalsContact CB-OG 3.25Å; F2341-S2954 WeakPolarHBondContact CB-OG 2.95Å; F2341-S2954 WeakPolarHBondContact CD2-OG 3.39Å
2342	Y	30.8	Very low	30.9	Very low	207.4 Å²	207.4	138.3 Å²	138.3	81%	0.813	74%	0.741	S	S	*	*			trans	-97.5	133.6	131	-77.2	-73.2	0	0	0	111.4	G2653 Q2654 P2655	Y2342-G2653 PolarHBondContact N-O 3.35Å; Y2342-Q2654 WeakPolarHBondContact CB-O 3.26Å; Y2342-Q2654 WeakPolarHBondContact CD2-O 3.35Å; Y2342-Q2654 VanDerWaalsContact CG-O 3.26Å; Y2342-Q2654 VanDerWaalsContact N-C 3.32Å; Y2342-Q2654 PolarHBondContact N-O 3.1Å; Y2342-Q2654 VanDerWaalsContact N-O 3.11Å; Y2342-P2655 HydrophobicContact CD1-CG 4.39Å; Y2342-P2655 HydrophobicContact CE1-CG 4.16Å; Y2342-P2655 HydrophobicContact CE2-CG 4.3Å
2343	I	29.6	Very low	31.1	Very low	138 Å²	138	138.4 Å²	138.4	71%	0.708	75%	0.746	S	S	*	*			trans	7.5	128.4	149.3	-58.8	172.4	0	0	0	110.5	F2341 E2345	F2341-I2343 HydrophobicContact CD1-CD1 3.52Å; F2341-I2343 HydrophobicContact CD1-CG1 4.1Å; F2341-I2343 HydrophobicContact CE1-CD1 3.86Å; F2341-I2343 HydrophobicContact CE1-CG1 4.36Å; I2343-E2345 WeakPolarHBondContact CB-OE1 3.29Å; I2343-E2345 HydrophobicContact CG2-CG 4.34Å; I2343-E2345 VanDerWaalsContact CG2-OE1 3.25Å; I2343-E2345 WeakPolarHBondContact CG2-OE1 3.5Å
2344	L	29.4	Very low	31.7	Very low	147.4 Å²	147.4	140.7 Å²	140.7	77%	0.772	75%	0.751	S	S	*	*			trans	-127.9	122.5	148	-144.1	88.1	0	0	0	110.6	Q2346	L2344-Q2346 HydrophobicContact CD1-CG 3.93Å; L2344-Q2346 HydrophobicContact CD2-CB 4.01Å; L2344-Q2346 HydrophobicContact CD2-CG 4.08Å; L2344-Q2346 HydrophobicContact CG-CB 4.11Å; L2344-Q2346 HydrophobicContact CG-CG 3.88Å; L2344-Q2346 PolarHBondContact O-N 2.95Å
2345	E	30.6	Very low	32	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.743	76%	0.756	S	S	*	*			trans	-90.9	128.6	170.2	-152.7	160.3	-156.5	0	0	111.7	I2343 C2348	I2343-E2345 WeakPolarHBondContact CB-OE1 3.29Å; I2343-E2345 HydrophobicContact CG2-CG 4.34Å; I2343-E2345 VanDerWaalsContact CG2-OE1 3.25Å; I2343-E2345 WeakPolarHBondContact CG2-OE1 3.5Å; E2345-C2348 PolarHBondContact OE1-SG 3.04Å
2346	Q	32.2	Very low	32.6	Very low	154.2 Å²	154.2	142.7 Å²	142.7	72%	0.721	76%	0.756	S	S	*	*			trans	-98	115.1	162.5	-70.5	-118.4	105.7	0	0	110.9	L2344	L2344-Q2346 HydrophobicContact CD1-CG 3.93Å; L2344-Q2346 HydrophobicContact CD2-CB 4.01Å; L2344-Q2346 HydrophobicContact CD2-CG 4.08Å; L2344-Q2346 HydrophobicContact CG-CB 4.11Å; L2344-Q2346 HydrophobicContact CG-CG 3.88Å; L2344-Q2346 PolarHBondContact O-N 2.95Å
2347	Q	33.2	Very low	33.2	Very low	172.2 Å²	172.2	146.3 Å²	146.3	81%	0.805	76%	0.763	S	S	*	*			trans	-22.4	109.5	149.3	-80.5	176.7	-28.9	0	0	113.7	V2349	Q2347-V2349 PolarHBondContact O-N 2.73Å
2348	C	30.9	Very low	34.1	Very low	110.4 Å²	110.4	143 Å²	143	75%	0.746	76%	0.759	S	S	*	*			trans	-99.1	120.7	140.2	-78.5	0	0	0	0	110	E2345 G2350	E2345-C2348 PolarHBondContact OE1-SG 3.04Å; C2348-G2350 VanDerWaalsContact C-N 3.28Å; C2348-G2350 PolarHBondContact O-N 2.93Å; C2348-G2350 VanDerWaalsContact O-N 3.15Å
2349	V	32.8	Very low	34.5	Very low	132 Å²	132	140.2 Å²	140.2	80%	0.8	76%	0.756	S	S	*	*			trans	-55.2	97.8	143.8	-177.2	0	0	0	0	109.6	Q2347 L2351	Q2347-V2349 PolarHBondContact O-N 2.73Å; V2349-L2351 HydrophobicContact CG1-CG 4.38Å
2350	G	31.1	Very low	35	Very low	70.6 Å²	70.6	143.1 Å²	143.1	73%	0.728	76%	0.757	S	S	*	*			trans	-104.2	108.4	164.7	0	0	0	0	0	110.6	C2348	C2348-G2350 VanDerWaalsContact C-N 3.28Å; C2348-G2350 PolarHBondContact O-N 2.93Å; C2348-G2350 VanDerWaalsContact O-N 3.15Å
2351	L	33.8	Very low	35.3	Very low	165.8 Å²	165.8	149.2 Å²	149.2	87%	0.868	77%	0.768	S	S	*	*			trans	-90.7	135.5	176.9	-76.5	171.1	0	0	0	110.5	V2349 V2353	V2349-L2351 HydrophobicContact CG1-CG 4.38Å; L2351-V2353 PolarHBondContact O-N 2.99Å; L2351-V2353 VanDerWaalsContact O-N 3.09Å
2352	A	35.7	Very low	35.8	Very low	95 Å²	95	149.3 Å²	149.3	79%	0.785	77%	0.77	S	S	*	*			trans	-103.5	132.7	170.7	0	0	0	0	0	111.9
2353	V	34.1	Very low	36.1	Very low	130.8 Å²	130.8	147.5 Å²	147.5	79%	0.793	77%	0.769	S	S	*	*			trans	-114.9	126.4	169.4	-176.1	0	0	0	0	109	L2351 M2355	L2351-V2353 PolarHBondContact O-N 2.99Å; L2351-V2353 VanDerWaalsContact O-N 3.09Å; V2353-M2355 PolarHBondContact O-N 3.04Å
2354	D	40.4	Very low	36.7	Very low	148.2 Å²	148.2	146.7 Å²	146.7	79%	0.793	77%	0.77	S	S	*	*			trans	-105.7	141.6	156.8	-102	-41.3	0	0	0	111.6	D2356	D2354-D2356 PolarHBondContact O-N 3.4Å
2355	M	38.4	Very low	37.1	Very low	170.8 Å²	170.8	147.7 Å²	147.7	84%	0.841	77%	0.771	S	S	*	*			trans	-96.6	91.9	174.7	-94.5	-179.6	57.3	0	0	112.2	V2353 I2358	V2353-M2355 PolarHBondContact O-N 3.04Å; M2355-I2358 HydrophobicContact CG-CD1 3.88Å; M2355-I2358 HydrophobicContact CG-CG1 4.46Å
2356	D	42.3	Very low	37.5	Very low	134.6 Å²	134.6	148.1 Å²	148.1	72%	0.72	77%	0.773	S	S	*	*			trans	-103.9	151.8	160.2	-102.4	-30.5	0	0	0	111.4	D2354 I2358	D2354-D2356 PolarHBondContact O-N 3.4Å; D2356-I2358 WeakPolarHBondContact OD2-CG1 3.32Å
2357	E	44.9	Very low	37.5	Very low	181.2 Å²	181.2	147.6 Å²	147.6	85%	0.847	78%	0.775	S	S	*	*			trans	-70.1	77.9	177	-62.8	-174.9	163.4	0	0	114.2	E2359	E2357-E2359 PolarHBondContact O-N 3Å
2358	I	48.1	Very low	37.7	Very low	150.2 Å²	150.2	147 Å²	147	77%	0.77	77%	0.773	S	S	*	*			trans	-113	78.8	141.1	-39.7	177.6	0	0	0	110.8	M2355 D2356 K2360	M2355-I2358 HydrophobicContact CG-CD1 3.88Å; M2355-I2358 HydrophobicContact CG-CG1 4.46Å; D2356-I2358 WeakPolarHBondContact OD2-CG1 3.32Å; I2358-K2360 HydrophobicContact CG2-CB 4.37Å; I2358-K2360 WeakPolarHBondContact CG2-O 3.3Å; I2358-K2360 PolarHBondContact O-N 3.3Å
2359	E	38.5	Very low	37.7	Very low	162.8 Å²	162.8	148.5 Å²	148.5	76%	0.761	77%	0.773	S	S	*	*			trans	-88.9	143.1	162.3	-71	-166.8	145.5	0	0	110.9	E2357	E2357-E2359 PolarHBondContact O-N 3Å
2360	K	41	Very low	38	Very low	147.8 Å²	147.8	147.1 Å²	147.1	64%	0.643	77%	0.767	S	S	*	*			trans	145.9	125.8	-172.1	-95.3	171.8	-177.4	171.4	0	113.6	I2358 E2573 L2574	I2358-K2360 HydrophobicContact CG2-CB 4.37Å; I2358-K2360 WeakPolarHBondContact CG2-O 3.3Å; I2358-K2360 PolarHBondContact O-N 3.3Å; K2360-E2573 WeakPolarHBondContact CE-OE1 3.26Å; K2360-E2573 WeakPolarHBondContact CE-OE2 3.29Å; K2360-E2573 IonicContact NZ-OE1 2.7Å; K2360-E2573 PolarHBondContact NZ-OE1 3.27Å; K2360-E2573 IonicContact NZ-OE2 2.76Å; K2360-E2573 PolarHBondContact NZ-OE2 2.94Å; K2360-L2574 HydrophobicContact CD-CD1 4.07Å; K2360-L2574 HydrophobicContact CG-CD1 4.27Å
2361	Y	36.4	Very low	38.1	Very low	193.2 Å²	193.2	148.9 Å²	148.9	76%	0.758	77%	0.768	S	S	*	*				20.3	123.1	128.4	-66.7	-85.5	0	0	0	114.8	E2363 L2572	Y2361-E2363 HydrophobicContact CD1-CG 4.45Å; Y2361-L2572 HydrophobicContact CD2-CD2 3.64Å; Y2361-L2572 HydrophobicContact CE1-CD2 4.19Å; Y2361-L2572 HydrophobicContact CE2-CD2 3.21Å; Y2361-L2572 HydrophobicContact CE2-CG 3.65Å; Y2361-L2572 HydrophobicContact CG-CD2 4.33Å; Y2361-L2572 WeakPolarHBondContact OH-CG 3.2Å
2362	Q	38	Very low	38	Very low	162.8 Å²	162.8	146.8 Å²	146.8	76%	0.761	77%	0.766	S	S	*	*			trans	-119.9	112.3	145.6	178.9	173.7	7.1	0	0	110	V2364	Q2362-V2364 HydrophobicContact CG-CG2 3.88Å; Q2362-V2364 PolarHBondContact O-N 3.2Å
2363	E	36.8	Very low	38	Very low	170.6 Å²	170.6	147.4 Å²	147.4	80%	0.797	76%	0.762	S	S	*	*			trans	-76	121.4	161.3	-70.1	168.6	154.7	0	0	110.9	Y2361	Y2361-E2363 HydrophobicContact CD1-CG 4.45Å
2364	V	42.2	Very low	37.9	Very low	120.6 Å²	120.6	152 Å²	152	73%	0.731	77%	0.765	S	S	*	*			trans	-145.3	112.2	151	175	0	0	0	0	106.5	Q2362 E2366	Q2362-V2364 HydrophobicContact CG-CG2 3.88Å; Q2362-V2364 PolarHBondContact O-N 3.2Å; V2364-E2366 WeakPolarHBondContact O-CB 3.27Å
2365	E	37.8	Very low	37.5	Very low	169.4 Å²	169.4	152.4 Å²	152.4	79%	0.792	77%	0.766	S	S	*	*			trans	-92.2	153.9	158.2	-124.5	172	172.3	0	0	108.8	L1656	L1656-E2365 HydrophobicContact CD1-CG 3.71Å; L1656-E2365 HydrophobicContact CG-CG 4.47Å
2366	E	37.9	Very low	37.2	Very low	167.2 Å²	167.2	149 Å²	149	78%	0.781	76%	0.759	S	S	*	*			trans	76.8	110.8	142.6	-126	-178.6	163.5	0	0	113.3	V2364 Q2368	V2364-E2366 WeakPolarHBondContact O-CB 3.27Å; E2366-Q2368 PolarHBondContact O-N 2.79Å
2367	D	34	Very low	37.2	Very low	143.4 Å²	143.4	151.7 Å²	151.7	77%	0.767	76%	0.759	S	S	*	*			trans	-90.6	134.7	137.8	-104.4	-26	0	0	0	112.2
2368	Q	35.9	Very low	36.9	Very low	160.4 Å²	160.4	149.6 Å²	149.6	75%	0.75	75%	0.75	S	S	*	*			trans	-172.5	107.8	138.6	-70.6	-119.1	25.3	0	0	111.8	E2366 P2370	E2366-Q2368 PolarHBondContact O-N 2.79Å; Q2368-P2370 VanDerWaalsContact O-CD 3.31Å; Q2368-P2370 WeakPolarHBondContact O-CD 3.15Å
2369	D	32.4	Very low	36.4	Very low	141.6 Å²	141.6	148.6 Å²	148.6	76%	0.757	75%	0.745	S	S	*	*			trans	-85.9	126.1	133.5	-131.3	-6.6	0	0	0	114.1	S2371	D2369-S2371 PolarHBondContact O-N 3.16Å
2370	P	37.5	Very low	36.4	Very low	102.6 Å²	102.6	147.5 Å²	147.5	67%	0.666	74%	0.744	S	S	*	*			trans	-97.7	125.5	-176.2	34.7	-29.8	0	0	0	111.7	Q2368 C2372	Q2368-P2370 VanDerWaalsContact O-CD 3.31Å; Q2368-P2370 WeakPolarHBondContact O-CD 3.15Å; P2370-C2372 PolarHBondContact O-N 3.24Å; P2370-C2372 PolarHBondContact O-SG 2.78Å
2371	S	35	Very low	36.3	Very low	108.2 Å²	108.2	146 Å²	146	76%	0.757	74%	0.743	S	S	*	*			trans	-109.4	114.2	163.6	17.3	0	0	0	0	113.5	D2369 P2373	D2369-S2371 PolarHBondContact O-N 3.16Å; S2371-P2373 WeakPolarHBondContact O-CD 3.21Å
2372	C	30.5	Very low	36.4	Very low	121.6 Å²	121.6	143.5 Å²	143.5	82%	0.822	74%	0.738	S	S	*	*			trans	-70.1	145.8	153.7	-71.8	0	0	0	0	112.6	P2370 R2374	P2370-C2372 PolarHBondContact O-N 3.24Å; P2370-C2372 PolarHBondContact O-SG 2.78Å; C2372-R2374 PolarHBondContact O-N 3.47Å
2373	P	35.4	Very low	36.5	Very low	106.6 Å²	106.6	142.7 Å²	142.7	69%	0.692	73%	0.732	S	S	*	*			trans	-109.7	145.5	-165.6	18.2	-3.3	0	0	0	113.3	S2371 L2375	S2371-P2373 WeakPolarHBondContact O-CD 3.21Å; P2373-L2375 PolarHBondContact O-N 3.02Å
2374	R	32.1	Very low	36.3	Very low	229 Å²	229	142.3 Å²	142.3	86%	0.864	73%	0.73	S	S	*	*			trans	-113.8	121.7	150.1	-75.7	178.3	160.1	150	-2.1	112.2	C2372	C2372-R2374 PolarHBondContact O-N 3.47Å
2375	L	32.4	Very low	36.1	Very low	155.4 Å²	155.4	140.7 Å²	140.7	81%	0.814	72%	0.722	S	S	*	*			trans	-81.5	92	148.7	-63.9	179.8	0	0	0	113.5	P2373 R2377	P2373-L2375 PolarHBondContact O-N 3.02Å; L2375-R2377 PolarHBondContact O-N 2.67Å
2376	S	33.1	Very low	36	Very low	99.4 Å²	99.4	140.4 Å²	140.4	70%	0.695	72%	0.721	S	S	*	*				-48.1	115.3	110.2	59.7	0	0	0	0	112.1
2377	R	42.5	Very low	36	Very low	191.4 Å²	191.4	138.5 Å²	138.5	72%	0.722	72%	0.72	S	S	*	*			trans	-147	116.7	132.3	-163.9	179.2	178.4	158.8	4.2	110.4	L2375 L2379 G2401 Y2402 L2403 E2404 L2405	L2375-R2377 PolarHBondContact O-N 2.67Å; R2377-L2379 PolarHBondContact NH2-O 3.07Å; R2377-L2379 PolarHBondContact O-N 2.58Å; R2377-G2401 WeakPolarHBondContact CG-O 2.93Å; R2377-G2401 PolarHBondContact NE-O 2.96Å; R2377-Y2402 VanDerWaalsContact CG-C 3.47Å; R2377-Y2402 VanDerWaalsContact CZ-C 3.49Å; R2377-Y2402 PolarHBondContact NH1-O 3.14Å; R2377-Y2402 PolarHBondContact NH2-O 2.82Å; R2377-L2403 VanDerWaalsContact C-CA 3.48Å; R2377-L2403 VanDerWaalsContact CB-O 3.23Å; R2377-L2403 WeakPolarHBondContact CB-O 2.96Å; R2377-L2403 WeakPolarHBondContact CD-O 3.48Å; R2377-L2403 WeakPolarHBondContact CG-O 3.33Å; R2377-L2403 PolarHBondContact NH1-O 3.15Å; R2377-L2403 CarbonylContact O-C 3.27Å; R2377-L2403 VanDerWaalsContact O-C 3.24Å; R2377-L2403 WeakPolarHBondContact O-CA 3.5Å; R2377-E2404 CarbonylContact O-C 3.26Å; R2377-E2404 VanDerWaalsContact O-C 3.23Å; R2377-E2404 WeakPolarHBondContact O-CA 3.45Å; R2377-E2404 PolarHBondContact O-N 2.78Å; R2377-L2405 PolarHBondContact O-N 3.11Å
2378	E	38.1	Very low	36	Very low	137.2 Å²	137.2	138.3 Å²	138.3	64%	0.641	72%	0.719	S	S	*	*			trans	-98.3	165.2	168.7	-46.9	109.2	-178.7	0	0	111.2	Y2402 L2403 L2405	E2378-Y2402 HydrophobicContact CB-CD1 4.31Å; E2378-Y2402 HydrophobicContact CB-CD2 3.87Å; E2378-Y2402 HydrophobicContact CB-CE1 4.01Å; E2378-Y2402 HydrophobicContact CB-CE2 3.57Å; E2378-Y2402 HydrophobicContact CB-CG 4.23Å; E2378-Y2402 HydrophobicContact CG-CE2 4.01Å; E2378-Y2402 CarbonylContact O-C 3.24Å; E2378-Y2402 WeakPolarHBondContact O-CA 3.45Å; E2378-Y2402 WeakPolarHBondContact O-CB 2.43Å; E2378-Y2402 VanDerWaalsContact O-CG 3.3Å; E2378-Y2402 WeakPolarHBondContact OE2-CE2 3.45Å; E2378-Y2402 VanDerWaalsContact OE2-CZ 3.26Å; E2378-Y2402 PolarHBondContact OE2-OH 2.89Å; E2378-L2403 WeakPolarHBondContact O-CA 3.06Å; E2378-L2403 WeakPolarHBondContact O-CB 3.16Å; E2378-L2403 WeakPolarHBondContact O-CG 3.11Å; E2378-L2403 PolarHBondContact O-N 3.16Å; E2378-L2405 HydrophobicContact CG-CB 4.48Å
2379	L	37	Very low	35.9	Very low	128.4 Å²	128.4	138.7 Å²	138.7	67%	0.672	72%	0.721	S	S	*	*			trans	-122.1	115.6	158.1	-75	168.5	0	0	0	112	L2328 R2377 Y2402 L2403	L2328-L2379 WeakPolarHBondContact O-CD1 3.12Å; R2377-L2379 PolarHBondContact NH2-O 3.07Å; R2377-L2379 PolarHBondContact O-N 2.58Å; L2379-Y2402 VanDerWaalsContact O-CD1 3.29Å; L2379-Y2402 WeakPolarHBondContact O-CD1 2.99Å; L2379-L2403 HydrophobicContact CD2-CD2 3.79Å; L2379-L2403 HydrophobicContact CD2-CG 4.04Å; L2379-L2403 HydrophobicContact CG-CG 4.4Å
2380	L	38	Very low	36.1	Very low	140.6 Å²	140.6	138.1 Å²	138.1	74%	0.736	72%	0.717	S	S	*	*				127.5	131.9	120	-85.4	171.3	0	0	0	114.1	G2326 Y2402	G2326-L2380 VanDerWaalsContact C-C 3.48Å; G2326-L2380 CarbonylContact C-O 3.3Å; G2326-L2380 PolarHBondContact N-O 3.18Å; G2326-L2380 CarbonylContact O-C 3.23Å; G2326-L2380 PolarHBondContact O-N 2.63Å; L2380-Y2402 HydrophobicContact CB-CD1 4.37Å
2381	D	39.8	Very low	36	Very low	116.8 Å²	116.8	137.8 Å²	137.8	63%	0.625	72%	0.717	S	S	*	*			trans	157	146.5	157.1	-109.6	-5.1	0	0	0	114.9	S2325 G2326 C2327	S2325-D2381 WeakPolarHBondContact CA-OD1 3.17Å; S2325-D2381 WeakPolarHBondContact CB-OD1 3.06Å; G2326-D2381 PolarHBondContact N-OD1 2.9Å; G2326-D2381 PolarHBondContact N-OD2 3.49Å; C2327-D2381 HydrophobicContact CB-CB 3.15Å; C2327-D2381 WeakPolarHBondContact SG-CB 3.31Å; C2327-D2381 PolarHBondContact SG-N 3.02Å
2382	E	37.4	Very low	36.1	Very low	140 Å²	140	140.4 Å²	140.4	65%	0.654	72%	0.722	S	S	*	*				58.6	122.6	108.3	-82.5	-163.4	166.9	0	0	115.7
2383	K	40.4	Very low	36.4	Very low	145.4 Å²	145.4	141 Å²	141	63%	0.632	72%	0.717	S	S	*	*				117	103	128.5	-68.2	-62.5	175.6	-158.2	0	116.6
2384	E	32.6	Very low	36.6	Very low	163 Å²	163	146.4 Å²	146.4	76%	0.762	72%	0.724	S	S	*	*				62.7	167.5	124.9	-107.1	-179.1	-158.2	0	0	113.4
2385	P	38.2	Very low	36.4	Very low	87.4 Å²	87.4	139.9 Å²	139.9	57%	0.568	71%	0.712	S	S	*	*				-122.6	-173.3	-75.4	33.3	-17.6	0	0	0	114.3
2386	E	35.4	Very low	36.4	Very low	162.2 Å²	162.2	142.2 Å²	142.2	76%	0.758	71%	0.712	S	S	*	*			trans	66	120.5	152.7	-75.9	176.2	178.6	0	0	117.9
2387	V	38.4	Very low	36.4	Very low	128 Å²	128	142.6 Å²	142.6	78%	0.776	71%	0.714	S	S	*	*			trans	156.3	137.9	151.3	-95.1	0	0	0	0	114.1
2388	L	33.1	Very low	35.9	Very low	139.4 Å²	139.4	139.8 Å²	139.8	73%	0.73	72%	0.719	S	S	*	*			trans	95.3	133.5	137.4	-95.5	166.4	0	0	0	113.5	P1993 D2390	P1993-L2388 HydrophobicContact CG-CD2 4.11Å; L2388-D2390 PolarHBondContact O-N 3.23Å
2389	Q	35.6	Very low	35.7	Very low	169.2 Å²	169.2	138.4 Å²	138.4	79%	0.791	72%	0.722	S	S	*	*			trans	26.4	101.2	169.4	-59.2	171	14.2	0	0	112.8	P1993	P1993-Q2389 HydrophobicContact CG-CG 3.81Å
2390	D	35.8	Very low	35.4	Very low	128 Å²	128	137.2 Å²	137.2	68%	0.684	72%	0.724	S	S	*	*			trans	51.3	153.7	133	-103.5	-22.7	0	0	0	114	E1991 Q1992 L2388 L2392	E1991-D2390 WeakPolarHBondContact CA-OD2 3.31Å; E1991-D2390 HydrophobicContact CG-CB 4.44Å; E1991-D2390 VanDerWaalsContact OE2-CB 3.23Å; E1991-D2390 WeakPolarHBondContact OE2-CB 3.49Å; Q1992-D2390 HydrophobicContact CB-CB 3.92Å; Q1992-D2390 VanDerWaalsContact CB-OD2 3.29Å; Q1992-D2390 WeakPolarHBondContact CB-OD2 3.47Å; Q1992-D2390 HydrophobicContact CG-CB 4.36Å; Q1992-D2390 VanDerWaalsContact CG-OD2 3.27Å; Q1992-D2390 WeakPolarHBondContact CG-OD2 3.11Å; Q1992-D2390 PolarHBondContact N-OD2 2.84Å; L2388-D2390 PolarHBondContact O-N 3.23Å; D2390-L2392 PolarHBondContact O-N 2.64Å
2391	S	35.3	Very low	35.2	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	72%	0.72	S	S	*	*			trans	-85.4	128.7	-160.1	57.9	0	0	0	0	114	E1991 D2393	E1991-S2391 WeakPolarHBondContact OE1-CB 3.44Å; E1991-S2391 PolarHBondContact OE1-N 3.28Å; E1991-S2391 PolarHBondContact OE1-OG 3.08Å; E1991-S2391 WeakPolarHBondContact OE2-CA 3.21Å; E1991-S2391 WeakPolarHBondContact OE2-CB 3.33Å; E1991-S2391 PolarHBondContact OE2-N 2.76Å; E1991-S2391 PolarHBondContact OE2-OG 3.03Å; S2391-D2393 PolarHBondContact O-N 2.96Å
2392	L	37.6	Very low	34.8	Very low	163.4 Å²	163.4	136.2 Å²	136.2	86%	0.855	72%	0.722	S	S	*	*			trans	-128.8	106.1	164.1	-74.7	176.8	0	0	0	112.3	D2390 R2394	D2390-L2392 PolarHBondContact O-N 2.64Å; L2392-R2394 PolarHBondContact O-N 3.29Å
2393	D	36.8	Very low	34.6	Very low	135.2 Å²	135.2	134.9 Å²	134.9	72%	0.723	72%	0.719	S	S	*	*			trans	-86.7	107.8	162.4	-128.2	-16.9	0	0	0	112.5	S2391 C2395	S2391-D2393 PolarHBondContact O-N 2.96Å; D2393-C2395 PolarHBondContact O-N 3.17Å; D2393-C2395 PolarHBondContact O-SG 3.32Å
2394	R	38.4	Very low	34.5	Very low	219.2 Å²	219.2	134.5 Å²	134.5	83%	0.827	72%	0.72	S	S	*	*			trans	-157.4	91.3	159.5	-144.1	161	-114.9	-134.2	-3.2	115.6	L2392	L2392-R2394 PolarHBondContact O-N 3.29Å
2395	C	29.2	Very low	34.7	Very low	92.2 Å²	92.2	133 Å²	133	62%	0.623	72%	0.716	S	S	*	*			trans	-25.3	129.2	150.9	-52.5	0	0	0	0	115.6	D2393	D2393-C2395 PolarHBondContact O-N 3.17Å; D2393-C2395 PolarHBondContact O-SG 3.32Å
2396	Y	31.5	Very low	34.8	Very low	204.8 Å²	204.8	133 Å²	133	80%	0.803	72%	0.717	S	S	*	*			trans	99.8	113.9	159.1	-61.9	-69.1	0	0	0	114.5	T2398 E2603	Y2396-T2398 PolarHBondContact O-N 2.75Å; Y2396-T2398 VanDerWaalsContact O-N 3.13Å; Y2396-E2603 PolarHBondContact N-OE1 2.8Å
2397	S	32.4	Very low	34.6	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	71%	0.713	S	S	*	*				-126.9	133.8	129.1	-77.9	0	0	0	0	111.6
2398	T	33.9	Very low	34.6	Very low	132.4 Å²	132.4	132.4 Å²	132.4	81%	0.812	71%	0.713	S	S	*	*				-109.5	151.3	110.5	-7.9	0	0	0	0	112.1	Y2396 S2400	Y2396-T2398 PolarHBondContact O-N 2.75Å; Y2396-T2398 VanDerWaalsContact O-N 3.13Å; T2398-S2400 PolarHBondContact O-N 3.02Å
2399	P	33.2	Very low	34.6	Very low	108 Å²	108	128.4 Å²	128.4	70%	0.701	71%	0.705	S	S	*	*			trans	-118.4	162.2	-171.8	27	-13.2	0	0	0	116.5
2400	S	30.8	Very low	34.5	Very low	103.4 Å²	103.4	127.1 Å²	127.1	72%	0.723	70%	0.699	S	S	*	*			trans	59.7	121.9	141.1	61.7	0	0	0	0	117.8	T2398	T2398-S2400 PolarHBondContact O-N 3.02Å
2401	G	34.3	Very low	34.6	Very low	62.8 Å²	62.8	125.9 Å²	125.9	65%	0.647	70%	0.698	S	S	*	*			trans	-151.4	144.3	156.3	0	0	0	0	0	112.9	R2377	R2377-G2401 WeakPolarHBondContact CG-O 2.93Å; R2377-G2401 PolarHBondContact NE-O 2.96Å
2402	Y	30.2	Very low	34.3	Very low	172.8 Å²	172.8	130.7 Å²	130.7	68%	0.678	70%	0.703	S	S	*	*			trans	158.3	135.6	149.5	-84.3	-110.2	0	0	0	113.2	R2377 E2378 L2379 L2380 D2895	R2377-Y2402 VanDerWaalsContact CG-C 3.47Å; R2377-Y2402 VanDerWaalsContact CZ-C 3.49Å; R2377-Y2402 PolarHBondContact NH1-O 3.14Å; R2377-Y2402 PolarHBondContact NH2-O 2.82Å; E2378-Y2402 HydrophobicContact CB-CD1 4.31Å; E2378-Y2402 HydrophobicContact CB-CD2 3.87Å; E2378-Y2402 HydrophobicContact CB-CE1 4.01Å; E2378-Y2402 HydrophobicContact CB-CE2 3.57Å; E2378-Y2402 HydrophobicContact CB-CG 4.23Å; E2378-Y2402 HydrophobicContact CG-CE2 4.01Å; E2378-Y2402 CarbonylContact O-C 3.24Å; E2378-Y2402 WeakPolarHBondContact O-CA 3.45Å; E2378-Y2402 WeakPolarHBondContact O-CB 2.43Å; E2378-Y2402 VanDerWaalsContact O-CG 3.3Å; E2378-Y2402 WeakPolarHBondContact OE2-CE2 3.45Å; E2378-Y2402 VanDerWaalsContact OE2-CZ 3.26Å; E2378-Y2402 PolarHBondContact OE2-OH 2.89Å; L2379-Y2402 VanDerWaalsContact O-CD1 3.29Å; L2379-Y2402 WeakPolarHBondContact O-CD1 2.99Å; L2380-Y2402 HydrophobicContact CB-CD1 4.37Å; Y2402-D2895 PolarHBondContact OH-O 3.43Å
2403	L	34.5	Very low	33.9	Very low	112.2 Å²	112.2	127.2 Å²	127.2	59%	0.587	69%	0.692	S	S	*	*				-156.7	162.8	123.1	-104.7	76.5	0	0	0	115	G2326 R2377 E2378 L2379 L2896 Q2898	G2326-L2403 WeakPolarHBondContact O-CD1 3.41Å; R2377-L2403 VanDerWaalsContact C-CA 3.48Å; R2377-L2403 VanDerWaalsContact CB-O 3.23Å; R2377-L2403 WeakPolarHBondContact CB-O 2.96Å; R2377-L2403 WeakPolarHBondContact CD-O 3.48Å; R2377-L2403 WeakPolarHBondContact CG-O 3.33Å; R2377-L2403 PolarHBondContact NH1-O 3.15Å; R2377-L2403 CarbonylContact O-C 3.27Å; R2377-L2403 VanDerWaalsContact O-C 3.24Å; R2377-L2403 WeakPolarHBondContact O-CA 3.5Å; E2378-L2403 WeakPolarHBondContact O-CA 3.06Å; E2378-L2403 WeakPolarHBondContact O-CB 3.16Å; E2378-L2403 WeakPolarHBondContact O-CG 3.11Å; E2378-L2403 PolarHBondContact O-N 3.16Å; L2379-L2403 HydrophobicContact CD2-CD2 3.79Å; L2379-L2403 HydrophobicContact CD2-CG 4.04Å; L2379-L2403 HydrophobicContact CG-CG 4.4Å; L2403-L2896 HydrophobicContact CD1-CD2 4.1Å; L2403-Q2898 HydrophobicContact CD1-CG 4.03Å; L2403-Q2898 HydrophobicContact CD2-CB 3.99Å; L2403-Q2898 HydrophobicContact CD2-CG 3.56Å; L2403-Q2898 HydrophobicContact CG-CG 4.45Å
2404	E	36.3	Very low	33.7	Very low	138 Å²	138	125.7 Å²	125.7	65%	0.645	69%	0.693	S	S	*	*			trans	-115.3	141.4	-173.7	-121.7	160.8	156	0	0	116.7	R2377 Y3144	R2377-E2404 CarbonylContact O-C 3.26Å; R2377-E2404 VanDerWaalsContact O-C 3.23Å; R2377-E2404 WeakPolarHBondContact O-CA 3.45Å; R2377-E2404 PolarHBondContact O-N 2.78Å; E2404-Y3144 HydrophobicContact CG-CE1 4.38Å
2405	L	38.8	Very low	33.3	Very low	131 Å²	131	119.5 Å²	119.5	69%	0.686	69%	0.688	S	S	*	*			trans	-93.8	163	150.6	-78.6	169.1	0	0	0	112.6	R2377 E2378 Y3144	R2377-L2405 PolarHBondContact O-N 3.11Å; E2378-L2405 HydrophobicContact CG-CB 4.48Å; L2405-Y3144 HydrophobicContact CD2-CD1 3.41Å; L2405-Y3144 VanDerWaalsContact CD2-CD1 3.41Å; L2405-Y3144 HydrophobicContact CD2-CE1 3.77Å; L2405-Y3144 HydrophobicContact CD2-CG 4.46Å; L2405-Y3144 HydrophobicContact CG-CD1 4.08Å; L2405-Y3144 HydrophobicContact CG-CE1 3.9Å
2406	P	38.3	Very low	33.4	Very low	88.8 Å²	88.8	120.8 Å²	120.8	58%	0.577	69%	0.693	S	S	*	*			cis	-126.2	165.9	-41.9	27.5	-11.9	0	0	0	115.5	A3147 V3148	P2406-A3147 WeakPolarHBondContact CG-O 3.5Å; P2406-V3148 HydrophobicContact CB-CG2 4.01Å; P2406-V3148 HydrophobicContact CG-CB 3.92Å; P2406-V3148 HydrophobicContact CG-CG1 3.54Å; P2406-V3148 HydrophobicContact CG-CG2 3.5Å
2407	D	32.2	Very low	33.6	Very low	129 Å²	129	120.9 Å²	120.9	69%	0.69	69%	0.693	S	S	*	*			trans	45.4	135	143.4	-94.2	-3.4	0	0	0	120.1	G2409 S3146 V3148	D2407-G2409 PolarHBondContact OD1-N 3.49Å; D2407-S3146 WeakPolarHBondContact CA-OG 3.17Å; D2407-S3146 VanDerWaalsContact OD1-CB 3.31Å; D2407-S3146 WeakPolarHBondContact OD1-CB 3.25Å; D2407-S3146 PolarHBondContact OD1-OG 2.79Å; D2407-V3148 HydrophobicContact CB-CG2 4Å
2408	L	37.5	Very low	33.8	Very low	148.4 Å²	148.4	120.3 Å²	120.3	78%	0.777	69%	0.689	S	S	*	*			trans	-168.4	142.9	145.4	-92.9	166	0	0	0	111.7	E2908	L2408-E2908 HydrophobicContact CD2-CB 4.42Å; L2408-E2908 HydrophobicContact CD2-CG 4.38Å
2409	G	34.6	Very low	33.8	Very low	54.6 Å²	54.6	120.8 Å²	120.8	56%	0.563	69%	0.686	S	S	*	*			trans	145.1	127.6	168.7	0	0	0	0	0	113.4	D2407 S2906 L2907 E2908	D2407-G2409 PolarHBondContact OD1-N 3.49Å; G2409-S2906 CarbonylContact O-C 3.06Å; G2409-L2907 CarbonylContact O-C 3.52Å; G2409-L2907 WeakPolarHBondContact O-CA 3.12Å; G2409-L2907 PolarHBondContact O-N 2.87Å; G2409-L2907 VanDerWaalsContact O-N 3.14Å; G2409-E2908 WeakPolarHBondContact O-CG 3.06Å; G2409-E2908 PolarHBondContact O-N 3.28Å
2410	Q	33.1	Very low	34	Very low	141.8 Å²	141.8	122.9 Å²	122.9	66%	0.663	69%	0.686	S	S	*	*				71.6	144.1	118.9	-64.9	-109.1	3.5	0	0	111.9	Y2412 S2413 S2906 L2907 E2908	Q2410-Y2412 HydrophobicContact CB-CD1 4.35Å; Q2410-Y2412 HydrophobicContact CB-CD2 3.35Å; Q2410-Y2412 HydrophobicContact CB-CE1 4.39Å; Q2410-Y2412 HydrophobicContact CB-CE2 3.4Å; Q2410-Y2412 HydrophobicContact CB-CG 3.77Å; Q2410-Y2412 HydrophobicContact CG-CD2 4.41Å; Q2410-Y2412 HydrophobicContact CG-CE2 4.28Å; Q2410-Y2412 PolarHBondContact O-N 3.02Å; Q2410-Y2412 VanDerWaalsContact OE1-CD1 3.29Å; Q2410-S2413 VanDerWaalsContact OE1-N 3.15Å; Q2410-S2906 VanDerWaalsContact C-OG 3.3Å; Q2410-S2906 PolarHBondContact O-OG 3.17Å; Q2410-L2907 HydrophobicContact CB-CD1 3.97Å; Q2410-L2907 HydrophobicContact CG-CD1 3.66Å; Q2410-L2907 HydrophobicContact CG-CG 3.92Å; Q2410-E2908 HydrophobicContact CG-CB 3.72Å; Q2410-E2908 HydrophobicContact CG-CG 3.72Å; Q2410-E2908 WeakPolarHBondContact CG-OE2 3.49Å
2411	P	37.3	Very low	34.3	Very low	102.4 Å²	102.4	125.3 Å²	125.3	67%	0.665	69%	0.686	S	S	*	*			cis	-127.3	146.3	48.5	30.4	-12	0	0	0	115.4	S2906	P2411-S2906 WeakPolarHBondContact CD-OG 3.19Å
2412	Y	29.8	Very low	34.2	Very low	197.8 Å²	197.8	129.7 Å²	129.7	78%	0.776	69%	0.69	S	S	*	*			trans	38.2	134.5	139.7	-94.2	-94.7	0	0	0	112.9	Q2410	Q2410-Y2412 HydrophobicContact CB-CD1 4.35Å; Q2410-Y2412 HydrophobicContact CB-CD2 3.35Å; Q2410-Y2412 HydrophobicContact CB-CE1 4.39Å; Q2410-Y2412 HydrophobicContact CB-CE2 3.4Å; Q2410-Y2412 HydrophobicContact CB-CG 3.77Å; Q2410-Y2412 HydrophobicContact CG-CD2 4.41Å; Q2410-Y2412 HydrophobicContact CG-CE2 4.28Å; Q2410-Y2412 PolarHBondContact O-N 3.02Å; Q2410-Y2412 VanDerWaalsContact OE1-CD1 3.29Å
2413	S	28.8	Very low	34.4	Very low	89.8 Å²	89.8	131.2 Å²	131.2	63%	0.628	70%	0.696	S	S	*	*				56.6	124.4	94.9	-144.7	0	0	0	0	116.8	Q2410 A2415	Q2410-S2413 VanDerWaalsContact OE1-N 3.15Å; S2413-A2415 PolarHBondContact O-N 3.04Å
2414	S	32.1	Very low	34.3	Very low	104 Å²	104	133 Å²	133	73%	0.727	71%	0.705	S	S	*	*				5.1	116.1	116.1	59.5	0	0	0	0	114.1
2415	A	31.6	Very low	34.3	Very low	88.2 Å²	88.2	129.9 Å²	129.9	73%	0.729	71%	0.711	S	S	*	*			trans	-148.8	114.5	135.7	0	0	0	0	0	108.2	S2413 Y2417	S2413-A2415 PolarHBondContact O-N 3.04Å; A2415-Y2417 HydrophobicContact CB-CD2 4.25Å; A2415-Y2417 PolarHBondContact O-N 3.39Å; A2415-Y2417 VanDerWaalsContact O-N 3.17Å
2416	V	30.3	Very low	34.3	Very low	119.6 Å²	119.6	131.6 Å²	131.6	73%	0.725	72%	0.719	S	S	*	*				49	96.9	98.1	-162.2	0	0	0	0	111.5	S2418	V2416-S2418 PolarHBondContact O-N 3.14Å
2417	Y	36.7	Very low	34.5	Very low	207 Å²	207	131.4 Å²	131.4	81%	0.812	73%	0.726	S	S	*	*			trans	-117	119.1	150.5	-81	-78	0	0	0	112.7	R2276 A2415 L2419	R2276-Y2417 VanDerWaalsContact NH2-CD1 3.34Å; A2415-Y2417 HydrophobicContact CB-CD2 4.25Å; A2415-Y2417 PolarHBondContact O-N 3.39Å; A2415-Y2417 VanDerWaalsContact O-N 3.17Å; Y2417-L2419 PolarHBondContact O-N 2.66Å
2418	S	35.1	Very low	34.9	Very low	95 Å²	95	132 Å²	132	66%	0.664	73%	0.728	S	S	*	*			trans	-123.8	133	141	-70.4	0	0	0	0	110.8	V2416 E2420	V2416-S2418 PolarHBondContact O-N 3.14Å; S2418-E2420 PolarHBondContact O-N 3.37Å
2419	L	34.1	Very low	35	Very low	142.8 Å²	142.8	131.5 Å²	131.5	75%	0.748	73%	0.726	S	S	*	*				51.8	117.6	125.9	-137.5	150.5	0	0	0	113.4	Y2417 E2421	Y2417-L2419 PolarHBondContact O-N 2.66Å; L2419-E2421 VanDerWaalsContact C-N 3.3Å; L2419-E2421 HydrophobicContact CD2-CG 4.45Å; L2419-E2421 PolarHBondContact O-N 2.78Å
2420	E	37.4	Very low	35.4	Very low	151.4 Å²	151.4	134.1 Å²	134.1	71%	0.707	73%	0.731	S	S	*	*			trans	42.9	108.8	157.9	-71.8	137.2	-159.5	0	0	115.5	S2418 Q2422	S2418-E2420 PolarHBondContact O-N 3.37Å; E2420-Q2422 VanDerWaalsContact C-CB 3.48Å; E2420-Q2422 VanDerWaalsContact C-N 3.31Å; E2420-Q2422 HydrophobicContact CB-CG 4.23Å; E2420-Q2422 HydrophobicContact CG-CG 4.43Å; E2420-Q2422 WeakPolarHBondContact O-CB 3.06Å; E2420-Q2422 PolarHBondContact O-N 2.58Å; E2420-Q2422 WeakPolarHBondContact OE1-CG 3.2Å; E2420-Q2422 PolarHBondContact OE1-NE2 3.43Å
2421	E	36.6	Very low	35.5	Very low	154.2 Å²	154.2	133.6 Å²	133.6	72%	0.721	73%	0.733	S	S	*	*			trans	-113	120.1	147.7	-80	-168.7	172.4	0	0	111.5	K2279 L2419 Y2423	K2279-E2421 WeakPolarHBondContact CD-OE2 3.22Å; K2279-E2421 WeakPolarHBondContact CE-OE2 3.2Å; K2279-E2421 VanDerWaalsContact CG-OE2 3.3Å; K2279-E2421 WeakPolarHBondContact CG-OE2 3.38Å; K2279-E2421 VanDerWaalsContact NZ-CD 3.33Å; K2279-E2421 IonicContact NZ-OE2 3.36Å; K2279-E2421 PolarHBondContact NZ-OE2 2.8Å; L2419-E2421 VanDerWaalsContact C-N 3.3Å; L2419-E2421 HydrophobicContact CD2-CG 4.45Å; L2419-E2421 PolarHBondContact O-N 2.78Å; E2421-Y2423 VanDerWaalsContact C-N 3.3Å; E2421-Y2423 PolarHBondContact O-N 3.09Å
2422	Q	34.3	Very low	35.6	Very low	155.6 Å²	155.6	137.2 Å²	137.2	73%	0.727	73%	0.733	S	S	*	*			trans	77	114.2	140.9	-95.5	-173.1	0.1	0	0	115.8	K2279 E2420 L2424	K2279-Q2422 PolarHBondContact NZ-O 2.69Å; E2420-Q2422 VanDerWaalsContact C-CB 3.48Å; E2420-Q2422 VanDerWaalsContact C-N 3.31Å; E2420-Q2422 HydrophobicContact CB-CG 4.23Å; E2420-Q2422 HydrophobicContact CG-CG 4.43Å; E2420-Q2422 WeakPolarHBondContact O-CB 3.06Å; E2420-Q2422 PolarHBondContact O-N 2.58Å; E2420-Q2422 WeakPolarHBondContact OE1-CG 3.2Å; E2420-Q2422 PolarHBondContact OE1-NE2 3.43Å; Q2422-L2424 PolarHBondContact O-N 3.13Å; Q2422-L2424 VanDerWaalsContact O-N 3.13Å
2423	Y	33.1	Very low	36.2	Very low	202.6 Å²	202.6	134.3 Å²	134.3	80%	0.795	73%	0.73	S	S	*	*			trans	-38.2	108	139.1	-90.8	-110.5	0	0	0	114.9	E2421	E2421-Y2423 VanDerWaalsContact C-N 3.3Å; E2421-Y2423 PolarHBondContact O-N 3.09Å
2424	L	33.6	Very low	36.4	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	74%	0.735	S	S	*	*				78.3	98.2	129.2	-148.7	88.2	0	0	0	114.3	Q2422 L2426	Q2422-L2424 PolarHBondContact O-N 3.13Å; Q2422-L2424 VanDerWaalsContact O-N 3.13Å; L2424-L2426 HydrophobicContact CD2-CD1 3.83Å; L2424-L2426 HydrophobicContact CD2-CG 4.13Å; L2424-L2426 HydrophobicContact CG-CD1 4.32Å; L2424-L2426 HydrophobicContact CG-CG 4.07Å; L2424-L2426 PolarHBondContact O-N 3.14Å
2425	G	35.7	Very low	36.7	Very low	74.4 Å²	74.4	139.6 Å²	139.6	77%	0.767	73%	0.728	S	S	*	*			trans	-156	118.3	164.2	0	0	0	0	0	115.1	A2427	G2425-A2427 VanDerWaalsContact C-N 3.3Å; G2425-A2427 PolarHBondContact O-N 2.77Å
2426	L	38.9	Very low	36.8	Very low	165.2 Å²	165.2	140.4 Å²	140.4	87%	0.865	72%	0.721	S	S	*	*			trans	-94.1	120	155.9	-80.7	168.2	0	0	0	111.8	L2424 L2428	L2424-L2426 HydrophobicContact CD2-CD1 3.83Å; L2424-L2426 HydrophobicContact CD2-CG 4.13Å; L2424-L2426 HydrophobicContact CG-CD1 4.32Å; L2424-L2426 HydrophobicContact CG-CG 4.07Å; L2424-L2426 PolarHBondContact O-N 3.14Å; L2426-L2428 HydrophobicContact CB-CD1 4.36Å; L2426-L2428 HydrophobicContact CB-CG 4.22Å; L2426-L2428 HydrophobicContact CD1-CD1 4.45Å; L2426-L2428 HydrophobicContact CD2-CD2 4.36Å; L2426-L2428 HydrophobicContact CD2-CG 4.33Å; L2426-L2428 PolarHBondContact O-N 3.09Å
2427	A	41.1	Very low	37	Very low	86.4 Å²	86.4	141.8 Å²	141.8	71%	0.714	72%	0.719	S	S	*	*			trans	-168.8	127	163.7	0	0	0	0	0	113.7	G2425	G2425-A2427 VanDerWaalsContact C-N 3.3Å; G2425-A2427 PolarHBondContact O-N 2.77Å
2428	L	41.5	Very low	37	Very low	141.4 Å²	141.4	139.4 Å²	139.4	74%	0.74	72%	0.715	S	S	*	*			trans	162.4	137.5	162.1	-76.5	174.4	0	0	0	116.6	L2426 V2430 E2439 E2440	L2426-L2428 HydrophobicContact CB-CD1 4.36Å; L2426-L2428 HydrophobicContact CB-CG 4.22Å; L2426-L2428 HydrophobicContact CD1-CD1 4.45Å; L2426-L2428 HydrophobicContact CD2-CD2 4.36Å; L2426-L2428 HydrophobicContact CD2-CG 4.33Å; L2426-L2428 PolarHBondContact O-N 3.09Å; L2428-V2430 PolarHBondContact O-N 2.74Å; L2428-E2439 WeakPolarHBondContact CA-OE1 3.37Å; L2428-E2439 VanDerWaalsContact CA-OE2 3.24Å; L2428-E2439 WeakPolarHBondContact CA-OE2 3.28Å; L2428-E2439 PolarHBondContact N-OE1 3Å; L2428-E2439 PolarHBondContact N-OE2 3.44Å; L2428-E2440 VanDerWaalsContact CA-OE1 3.29Å; L2428-E2440 WeakPolarHBondContact CA-OE1 3.33Å; L2428-E2440 PolarHBondContact N-OE1 2.97Å
2429	D	39.9	Very low	37.2	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	72%	0.719	S	S	*	*			trans	65.5	113.7	149.6	-67.6	-35.2	0	0	0	117.9	E2439 E2440	D2429-E2439 VanDerWaalsContact N-CD 3.27Å; D2429-E2439 PolarHBondContact N-OE1 3.23Å; D2429-E2439 WeakPolarHBondContact O-CB 3.45Å; D2429-E2440 PolarHBondContact N-OE1 3.35Å; D2429-E2440 PolarHBondContact N-OE2 2.75Å
2430	V	42.8	Very low	37.5	Very low	110.4 Å²	110.4	143 Å²	143	67%	0.669	72%	0.718	S	S	*	*			trans	29	116.4	143.5	176.9	0	0	0	0	114	L2428 R2432 I2433 E2440	L2428-V2430 PolarHBondContact O-N 2.74Å; V2430-R2432 PolarHBondContact O-N 2.84Å; V2430-I2433 HydrophobicContact CG1-CD1 3.7Å; V2430-E2440 HydrophobicContact CG2-CB 4.1Å; V2430-E2440 WeakPolarHBondContact CG2-OE2 2.88Å; V2430-E2440 WeakPolarHBondContact O-CA 3.46Å; V2430-E2440 WeakPolarHBondContact O-CB 3.2Å
2431	D	35.9	Very low	37.7	Very low	130 Å²	130	144.2 Å²	144.2	70%	0.695	72%	0.724	S	S	*	*			trans	13.1	121.3	135.6	-134.1	-4.1	0	0	0	116.8
2432	R	39.1	Very low	37.9	Very low	178.2 Å²	178.2	143.1 Å²	143.1	67%	0.672	72%	0.723	S	S	*	*			trans	67.3	131.6	156.9	-78.3	171.8	-177.4	-146.3	-0.5	116.2	V2430 D2436 Q2437 E2438	V2430-R2432 PolarHBondContact O-N 2.84Å; R2432-D2436 IonicContact CZ-OD1 2.66Å; R2432-D2436 VanDerWaalsContact CZ-OD1 3.24Å; R2432-D2436 IonicContact NH1-OD1 2.78Å; R2432-D2436 PolarHBondContact NH1-OD1 2.9Å; R2432-D2436 IonicContact NH2-OD1 2.63Å; R2432-D2436 PolarHBondContact NH2-OD1 2.75Å; R2432-Q2437 HydrophobicContact CB-CB 4.44Å; R2432-Q2437 HydrophobicContact CB-CG 4.4Å; R2432-Q2437 HydrophobicContact CG-CB 3.87Å; R2432-Q2437 HydrophobicContact CG-CG 4.26Å; R2432-Q2437 VanDerWaalsContact CG-OE1 3.24Å; R2432-Q2437 PolarHBondContact O-NE2 2.7Å; R2432-E2438 PolarHBondContact N-OE2 2.95Å
2433	I	41.6	Very low	38.1	Very low	137.2 Å²	137.2	143.5 Å²	143.5	70%	0.704	72%	0.724	S	S	*	*				-162.7	147.7	118	-73.1	143.4	0	0	0	109.7	V2430 K2435 Q2437 E2438	V2430-I2433 HydrophobicContact CG1-CD1 3.7Å; I2433-K2435 HydrophobicContact CG2-CB 4.3Å; I2433-K2435 PolarHBondContact O-NZ 3.46Å; I2433-Q2437 PolarHBondContact O-NE2 2.77Å; I2433-E2438 WeakPolarHBondContact CA-OE1 3.2Å; I2433-E2438 WeakPolarHBondContact CB-OE1 3.35Å; I2433-E2438 WeakPolarHBondContact CB-OE2 3.32Å; I2433-E2438 PolarHBondContact N-OE1 3.46Å; I2433-E2438 PolarHBondContact N-OE2 2.84Å
2434	K	33.9	Very low	38.1	Very low	169.4 Å²	169.4	136.8 Å²	136.8	74%	0.737	72%	0.717	S	S	*	*				-165.5	106.1	122.3	-88.2	-154.5	176.9	-171.4	0	114.9	D2436 Q2437 E2438 P2933	K2434-D2436 WeakPolarHBondContact CA-OD2 3.49Å; K2434-D2436 WeakPolarHBondContact CD-OD2 3.4Å; K2434-D2436 IonicContact NZ-OD1 3.59Å; K2434-Q2437 VanDerWaalsContact CA-NE2 3.29Å; K2434-E2438 PolarHBondContact N-OE1 2.66Å; K2434-P2933 HydrophobicContact CB-CB 3.87Å; K2434-P2933 HydrophobicContact CB-CG 4.43Å
2435	K	37.8	Very low	38.4	Very low	134.8 Å²	134.8	134.8 Å²	134.8	59%	0.586	71%	0.713	S	S	*	*			trans	-137.8	117.8	174.2	-90.1	170.7	-175.2	-171.7	0	109.3	L1648 D1649 I2433 Q2437 E2929 D2930 G2932 P2933	L1648-K2435 HydrophobicContact CD1-CB 3.59Å; L1648-K2435 HydrophobicContact CD1-CG 4.34Å; L1648-K2435 HydrophobicContact CD2-CB 3.78Å; L1648-K2435 HydrophobicContact CD2-CG 3.94Å; L1648-K2435 HydrophobicContact CG-CB 4.36Å; D1649-K2435 WeakPolarHBondContact OD2-CG 3.03Å; I2433-K2435 HydrophobicContact CG2-CB 4.3Å; I2433-K2435 PolarHBondContact O-NZ 3.46Å; K2435-Q2437 VanDerWaalsContact CA-CG 3.46Å; K2435-Q2437 VanDerWaalsContact CE-NE2 3.3Å; K2435-Q2437 PolarHBondContact O-N 2.62Å; K2435-E2929 IonicContact NZ-OE1 2.63Å; K2435-E2929 PolarHBondContact NZ-OE1 2.95Å; K2435-D2930 VanDerWaalsContact CD-OD1 3.24Å; K2435-D2930 WeakPolarHBondContact CD-OD1 3.12Å; K2435-D2930 WeakPolarHBondContact CE-OD1 3.21Å; K2435-D2930 IonicContact NZ-OD1 2.69Å; K2435-D2930 PolarHBondContact NZ-OD1 3.16Å; K2435-G2932 CarbonylContact O-C 3.14Å; K2435-G2932 WeakPolarHBondContact O-CA 3.42Å; K2435-G2932 PolarHBondContact O-N 3.25Å; K2435-P2933 WeakPolarHBondContact O-CD 3.46Å; K2435-P2933 VanDerWaalsContact O-CG 3.23Å; K2435-P2933 WeakPolarHBondContact O-CG 3.44Å
2436	D	33.1	Very low	38.4	Very low	106.4 Å²	106.4	135.7 Å²	135.7	57%	0.569	71%	0.705	S	S	*	*			trans	66.6	101	152.8	-50	-36.8	0	0	0	114.7	R2432 K2434 Q2931 G2932 P2933	R2432-D2436 IonicContact CZ-OD1 2.66Å; R2432-D2436 VanDerWaalsContact CZ-OD1 3.24Å; R2432-D2436 IonicContact NH1-OD1 2.78Å; R2432-D2436 PolarHBondContact NH1-OD1 2.9Å; R2432-D2436 IonicContact NH2-OD1 2.63Å; R2432-D2436 PolarHBondContact NH2-OD1 2.75Å; K2434-D2436 WeakPolarHBondContact CA-OD2 3.49Å; K2434-D2436 WeakPolarHBondContact CD-OD2 3.4Å; K2434-D2436 IonicContact NZ-OD1 3.59Å; D2436-Q2931 VanDerWaalsContact OD2-CB 3.31Å; D2436-Q2931 WeakPolarHBondContact OD2-CB 3.46Å; D2436-G2932 VanDerWaalsContact OD2-CA 3.26Å; D2436-G2932 WeakPolarHBondContact OD2-CA 3.35Å; D2436-G2932 PolarHBondContact OD2-N 3.19Å; D2436-P2933 WeakPolarHBondContact O-CG 3.21Å
2437	Q	34.5	Very low	38	Very low	147.4 Å²	147.4	132.9 Å²	132.9	69%	0.689	70%	0.698	S	S	*	*				172.7	150.3	105	-109.5	159.1	-2.3	0	0	115.8	R2432 I2433 K2434 K2435	R2432-Q2437 HydrophobicContact CB-CB 4.44Å; R2432-Q2437 HydrophobicContact CB-CG 4.4Å; R2432-Q2437 HydrophobicContact CG-CB 3.87Å; R2432-Q2437 HydrophobicContact CG-CG 4.26Å; R2432-Q2437 VanDerWaalsContact CG-OE1 3.24Å; R2432-Q2437 PolarHBondContact O-NE2 2.7Å; I2433-Q2437 PolarHBondContact O-NE2 2.77Å; K2434-Q2437 VanDerWaalsContact CA-NE2 3.29Å; K2435-Q2437 VanDerWaalsContact CA-CG 3.46Å; K2435-Q2437 VanDerWaalsContact CE-NE2 3.3Å; K2435-Q2437 PolarHBondContact O-N 2.62Å
2438	E	36.8	Very low	37.7	Very low	157.8 Å²	157.8	133.9 Å²	133.9	74%	0.737	70%	0.697	S	S	*	*			trans	-70	131.6	161.2	-84.9	160.6	172.8	0	0	114.4	R2432 I2433 K2434	R2432-E2438 PolarHBondContact N-OE2 2.95Å; I2433-E2438 WeakPolarHBondContact CA-OE1 3.2Å; I2433-E2438 WeakPolarHBondContact CB-OE1 3.35Å; I2433-E2438 WeakPolarHBondContact CB-OE2 3.32Å; I2433-E2438 PolarHBondContact N-OE1 3.46Å; I2433-E2438 PolarHBondContact N-OE2 2.84Å; K2434-E2438 PolarHBondContact N-OE1 2.66Å
2439	E	38.6	Very low	37.4	Very low	159 Å²	159	138.2 Å²	138.2	74%	0.743	70%	0.704	S	S	*	*				109.3	118.6	114.6	-92.5	-178.6	154.2	0	0	114.8	L2428 D2429	L2428-E2439 WeakPolarHBondContact CA-OE1 3.37Å; L2428-E2439 VanDerWaalsContact CA-OE2 3.24Å; L2428-E2439 WeakPolarHBondContact CA-OE2 3.28Å; L2428-E2439 PolarHBondContact N-OE1 3Å; L2428-E2439 PolarHBondContact N-OE2 3.44Å; D2429-E2439 VanDerWaalsContact N-CD 3.27Å; D2429-E2439 PolarHBondContact N-OE1 3.23Å; D2429-E2439 WeakPolarHBondContact O-CB 3.45Å
2440	E	41.4	Very low	37.1	Very low	153.8 Å²	153.8	138.8 Å²	138.8	72%	0.719	71%	0.706	S	S	*	*			trans	175.8	126.2	143	-136.2	-174.1	172.9	0	0	112	L2428 D2429 V2430	L2428-E2440 VanDerWaalsContact CA-OE1 3.29Å; L2428-E2440 WeakPolarHBondContact CA-OE1 3.33Å; L2428-E2440 PolarHBondContact N-OE1 2.97Å; D2429-E2440 PolarHBondContact N-OE1 3.35Å; D2429-E2440 PolarHBondContact N-OE2 2.75Å; V2430-E2440 HydrophobicContact CG2-CB 4.1Å; V2430-E2440 WeakPolarHBondContact CG2-OE2 2.88Å; V2430-E2440 WeakPolarHBondContact O-CA 3.46Å; V2430-E2440 WeakPolarHBondContact O-CB 3.2Å
2441	E	42.1	Very low	36.7	Very low	177.4 Å²	177.4	138.5 Å²	138.5	83%	0.829	71%	0.709	S	S	*	*			trans	-114.8	135.9	166.2	-102.6	-171.2	171.8	0	0	113.6	Q2443	E2441-Q2443 PolarHBondContact OE2-NE2 3.15Å
2442	D	39.3	Very low	37.2	Very low	131.4 Å²	131.4	142.1 Å²	142.1	70%	0.703	71%	0.713	S	S	*	*			trans	-170.4	142.2	146.9	-168.8	28.1	0	0	0	113.5	G2444	D2442-G2444 PolarHBondContact O-N 2.77Å; D2442-G2444 PolarHBondContact OD1-N 3.03Å; D2442-G2444 WeakPolarHBondContact OD2-CA 3.49Å
2443	Q	39.3	Very low	37.3	Very low	163.2 Å²	163.2	141 Å²	141	76%	0.763	72%	0.715	S	S	*	*			trans	27	75.8	168.1	-56.8	-127.6	-17.3	0	0	114.9	E2441 P2445	E2441-Q2443 PolarHBondContact OE2-NE2 3.15Å; Q2443-P2445 WeakPolarHBondContact O-CD 3.44Å
2444	G	33.6	Very low	37.1	Very low	61 Å²	61	141 Å²	141	63%	0.629	72%	0.716	S	S	*	*			trans	-81.6	155.7	153.4	0	0	0	0	0	113.2	D2442	D2442-G2444 PolarHBondContact O-N 2.77Å; D2442-G2444 PolarHBondContact OD1-N 3.03Å; D2442-G2444 WeakPolarHBondContact OD2-CA 3.49Å
2445	P	40.3	Very low	37.3	Very low	108.4 Å²	108.4	138 Å²	138	70%	0.704	71%	0.708	S	S	*	*				-100.1	174.5	85.5	37.7	-30.9	0	0	0	111.1	Q2443	Q2443-P2445 WeakPolarHBondContact O-CD 3.44Å
2446	P	35.9	Very low	37.2	Very low	93.8 Å²	93.8	137.7 Å²	137.7	61%	0.609	71%	0.708	S	S	*	*			cis	-127.1	146.6	-41.5	34.5	-18.2	0	0	0	114.5	P2448 L2942 E2944 V2945	P2446-P2448 WeakPolarHBondContact O-CD 3.47Å; P2446-L2942 HydrophobicContact CG-CD1 4.26Å; P2446-L2942 HydrophobicContact CG-CD2 3.84Å; P2446-E2944 WeakPolarHBondContact CG-O 3.49Å; P2446-V2945 HydrophobicContact CB-CB 4.23Å; P2446-V2945 HydrophobicContact CB-CG2 3.68Å; P2446-V2945 HydrophobicContact CG-CB 4.06Å; P2446-V2945 HydrophobicContact CG-CG2 3.94Å
2447	C	30.1	Very low	37.5	Very low	106.2 Å²	106.2	137.9 Å²	137.9	72%	0.718	71%	0.713	S	S	*	*				3.3	124.5	130	-67.3	0	0	0	0	115.6	R2449 E2944	C2447-R2449 PolarHBondContact O-N 2.7Å; C2447-E2944 WeakPolarHBondContact CB-OE1 3.41Å
2448	P	34.7	Very low	37.7	Very low	106.8 Å²	106.8	136.1 Å²	136.1	69%	0.694	71%	0.712	S	S	*	*			trans	-103.7	121.4	145.6	14.4	-1.9	0	0	0	114.3	P2446 L2450	P2446-P2448 WeakPolarHBondContact O-CD 3.47Å; P2448-L2450 VanDerWaalsContact C-N 3.29Å; P2448-L2450 HydrophobicContact CB-CB 4.49Å; P2448-L2450 HydrophobicContact CB-CD2 3.62Å; P2448-L2450 HydrophobicContact CB-CG 3.66Å; P2448-L2450 HydrophobicContact CG-CD1 4.43Å; P2448-L2450 HydrophobicContact CG-CD2 3.79Å; P2448-L2450 HydrophobicContact CG-CG 3.77Å; P2448-L2450 PolarHBondContact O-N 3.09Å
2449	R	34.4	Very low	37.6	Very low	231.6 Å²	231.6	135.8 Å²	135.8	87%	0.874	71%	0.71	S	S	*	*			trans	-102.2	106.9	164.4	-94.7	-171.9	164	124.6	1.7	110.3	C2447 S2451	C2447-R2449 PolarHBondContact O-N 2.7Å; R2449-S2451 PolarHBondContact O-N 2.67Å; R2449-S2451 VanDerWaalsContact O-N 3.15Å
2450	L	34.3	Very low	37.5	Very low	151.4 Å²	151.4	132.9 Å²	132.9	79%	0.793	71%	0.705	S	S	*	*				53.6	115.9	128.5	-58.9	-178.6	0	0	0	112.2	P2448 R2452	P2448-L2450 VanDerWaalsContact C-N 3.29Å; P2448-L2450 HydrophobicContact CB-CB 4.49Å; P2448-L2450 HydrophobicContact CB-CD2 3.62Å; P2448-L2450 HydrophobicContact CB-CG 3.66Å; P2448-L2450 HydrophobicContact CG-CD1 4.43Å; P2448-L2450 HydrophobicContact CG-CD2 3.79Å; P2448-L2450 HydrophobicContact CG-CG 3.77Å; P2448-L2450 PolarHBondContact O-N 3.09Å; L2450-R2452 PolarHBondContact O-N 3.2Å
2451	S	34.9	Very low	37.2	Very low	104.2 Å²	104.2	133.1 Å²	133.1	73%	0.729	71%	0.706	S	S	*	*				146.3	143.9	109.4	64.6	0	0	0	0	113.2	R2449	R2449-S2451 PolarHBondContact O-N 2.67Å; R2449-S2451 VanDerWaalsContact O-N 3.15Å
2452	R	46.5	Very low	37	Very low	205 Å²	205	129.7 Å²	129.7	77%	0.774	70%	0.697	S	S	*	*			trans	97.1	100.3	158.8	-113.5	165.6	173.5	167	-3.2	115.6	L2450 L2454	L2450-R2452 PolarHBondContact O-N 3.2Å; R2452-L2454 VanDerWaalsContact CA-N 3.25Å; R2452-L2454 HydrophobicContact CB-CB 4.38Å; R2452-L2454 HydrophobicContact CB-CD1 4.31Å; R2452-L2454 HydrophobicContact CB-CG 3.91Å; R2452-L2454 HydrophobicContact CG-CD1 4.41Å; R2452-L2454 HydrophobicContact CG-CD2 4.43Å; R2452-L2454 HydrophobicContact CG-CG 3.74Å; R2452-L2454 PolarHBondContact O-N 3.26Å
2453	E	39.5	Very low	36.9	Very low	155.4 Å²	155.4	129.8 Å²	129.8	73%	0.726	70%	0.697	S	S	*	*				50	93.1	99.9	-63	174.6	147.5	0	0	115.4	L2455	E2453-L2455 WeakPolarHBondContact O-CD1 3.5Å
2454	L	37.3	Very low	36.9	Very low	135.6 Å²	135.6	129.9 Å²	129.9	71%	0.71	70%	0.698	S	S	*	*			trans	-148.9	135	132.8	-94.1	166.6	0	0	0	110.8	R2452 K2497	R2452-L2454 VanDerWaalsContact CA-N 3.25Å; R2452-L2454 HydrophobicContact CB-CB 4.38Å; R2452-L2454 HydrophobicContact CB-CD1 4.31Å; R2452-L2454 HydrophobicContact CB-CG 3.91Å; R2452-L2454 HydrophobicContact CG-CD1 4.41Å; R2452-L2454 HydrophobicContact CG-CD2 4.43Å; R2452-L2454 HydrophobicContact CG-CG 3.74Å; R2452-L2454 PolarHBondContact O-N 3.26Å; L2454-K2497 HydrophobicContact CB-CD 4.45Å; L2454-K2497 HydrophobicContact CD2-CB 4.47Å
2455	L	38.2	Very low	37	Very low	108.4 Å²	108.4	132.8 Å²	132.8	57%	0.568	70%	0.699	S	S	*	*			trans	40.5	139.2	134.6	-110.8	69.2	0	0	0	115.6	E2453 K2497 H2498 V2499	E2453-L2455 WeakPolarHBondContact O-CD1 3.5Å; L2455-K2497 HydrophobicContact CB-CB 3.32Å; L2455-K2497 HydrophobicContact CB-CG 4.48Å; L2455-K2497 WeakPolarHBondContact O-CB 3.45Å; L2455-K2497 WeakPolarHBondContact O-CD 3.43Å; L2455-K2497 WeakPolarHBondContact O-CE 3.06Å; L2455-K2497 WeakPolarHBondContact O-CG 3.04Å; L2455-K2497 PolarHBondContact O-NZ 3.47Å; L2455-H2498 VanDerWaalsContact C-CG 3.43Å; L2455-H2498 VanDerWaalsContact C-N 3.32Å; L2455-H2498 WeakPolarHBondContact CA-CD2 3.33Å; L2455-H2498 HydrophobicContact CB-CB 4.28Å; L2455-H2498 WeakPolarHBondContact CD2-O 3.16Å; L2455-H2498 HydrophobicContact CG-CB 4.09Å; L2455-H2498 VanDerWaalsContact CG-N 3.29Å; L2455-H2498 WeakPolarHBondContact CG-O 3.47Å; L2455-H2498 PolarHBondContact N-CD2 3.45Å; L2455-H2498 PolarHBondContact N-NE2 3.44Å; L2455-V2499 HydrophobicContact CD1-CB 4.22Å
2456	E	36	Very low	36.7	Very low	127 Å²	127	131.8 Å²	131.8	59%	0.593	70%	0.695	S	S	*	*			trans	52.7	114.9	139.2	-107	170.6	173	0	0	119.2	K2497 H2498	E2456-K2497 HydrophobicContact CB-CB 4.26Å; E2456-K2497 HydrophobicContact CB-CG 4.01Å; E2456-K2497 VanDerWaalsContact N-CA 3.35Å; E2456-K2497 WeakPolarHBondContact O-CE 3.24Å; E2456-K2497 WeakPolarHBondContact O-CG 3.34Å; E2456-K2497 PolarHBondContact O-NZ 3.02Å; E2456-K2497 WeakPolarHBondContact OE1-CA 3.21Å; E2456-K2497 PolarHBondContact OE1-N 3.03Å; E2456-H2498 WeakPolarHBondContact CA-ND1 3.26Å; E2456-H2498 HydrophobicContact CG-CB 4.27Å; E2456-H2498 VanDerWaalsContact CG-N 3.27Å; E2456-H2498 PolarHBondContact N-CE1 3.34Å; E2456-H2498 VanDerWaalsContact N-CE1 3.34Å; E2456-H2498 PolarHBondContact N-ND1 2.95Å
2457	V	39.3	Very low	36.7	Very low	112 Å²	112	133.7 Å²	133.7	68%	0.679	70%	0.699	S	S	*	*				162	123.7	104.9	166.7	0	0	0	0	112.3	K2497	V2457-K2497 HydrophobicContact CB-CG 4.32Å
2458	V	38.6	Very low	37.1	Very low	108.4 Å²	108.4	135.2 Å²	135.2	66%	0.657	70%	0.7	S	S	*	*				47.3	126.3	118.3	178.4	0	0	0	0	115.2	P2460	V2458-P2460 VanDerWaalsContact C-CD 3.45Å; V2458-P2460 HydrophobicContact CG1-CB 3.95Å; V2458-P2460 HydrophobicContact CG1-CG 4.08Å; V2458-P2460 WeakPolarHBondContact O-CD 3.22Å
2459	E	35.8	Very low	37.2	Very low	151.8 Å²	151.8	139.7 Å²	139.7	71%	0.709	70%	0.703	S	S	*	*			trans	-89.4	153.3	138.1	-110.1	-166.1	159.5	0	0	112.9	E2461	E2459-E2461 VanDerWaalsContact CD-N 3.26Å; E2459-E2461 PolarHBondContact OE2-N 2.86Å
2460	P	36.9	Very low	37	Very low	98.2 Å²	98.2	133.6 Å²	133.6	64%	0.638	70%	0.695	S	S	*	*			trans	-123.2	169.1	-138.8	31.8	-16.3	0	0	0	112.6	V2458 V2462	V2458-P2460 VanDerWaalsContact C-CD 3.45Å; V2458-P2460 HydrophobicContact CG1-CB 3.95Å; V2458-P2460 HydrophobicContact CG1-CG 4.08Å; V2458-P2460 WeakPolarHBondContact O-CD 3.22Å; P2460-V2462 PolarHBondContact O-N 2.97Å
2461	E	34.2	Very low	37	Very low	157.8 Å²	157.8	135.7 Å²	135.7	74%	0.737	69%	0.694	S	S	*	*			trans	21.8	149.4	157.9	-68.2	-166.4	-179.4	0	0	115.5	E2459 Q2558	E2459-E2461 VanDerWaalsContact CD-N 3.26Å; E2459-E2461 PolarHBondContact OE2-N 2.86Å; E2461-Q2558 HydrophobicContact CG-CG 4.42Å; E2461-Q2558 VanDerWaalsContact CG-NE2 3.34Å
2462	V	38.9	Very low	36.9	Very low	105.4 Å²	105.4	135.6 Å²	135.6	64%	0.639	69%	0.692	S	S	*	*				-145.8	129	119.4	-140.6	0	0	0	0	114.4	P2460 Q2464 L2557	P2460-V2462 PolarHBondContact O-N 2.97Å; V2462-Q2464 HydrophobicContact CB-CG 4.11Å; V2462-Q2464 HydrophobicContact CG1-CG 3.97Å; V2462-L2557 CarbonylContact C-O 3.21Å
2463	L	35.5	Very low	36.1	Very low	134.2 Å²	134.2	131 Å²	131	70%	0.703	69%	0.687	S	S	*	*			trans	-178.6	122.2	144.2	-91.2	177.4	0	0	0	111.8	D2465 L2557 Q2558	L2463-D2465 PolarHBondContact O-N 2.93Å; L2463-L2557 PolarHBondContact N-O 3.36Å; L2463-Q2558 WeakPolarHBondContact O-CB 3.39Å
2464	Q	39.8	Very low	35.8	Very low	165.8 Å²	165.8	128.4 Å²	128.4	78%	0.775	68%	0.684	S	S	*	*			trans	-121.3	108.2	166.1	-78.6	-177.2	-8.8	0	0	110.8	V2462 S2466	V2462-Q2464 HydrophobicContact CB-CG 4.11Å; V2462-Q2464 HydrophobicContact CG1-CG 3.97Å; Q2464-S2466 PolarHBondContact O-N 3.41Å
2465	D	35	Very low	35.4	Very low	120.8 Å²	120.8	126.7 Å²	126.7	65%	0.646	68%	0.684	S	S	*	*			trans	-95.1	138	153.8	-116.3	-24.3	0	0	0	112.2	L2463	L2463-D2465 PolarHBondContact O-N 2.93Å
2466	S	35.3	Very low	35	Very low	88.8 Å²	88.8	126.5 Å²	126.5	62%	0.621	69%	0.691	S	S	*	*				98.7	128.9	127.6	53.7	0	0	0	0	114.6	Q2464 D2468	Q2464-S2466 PolarHBondContact O-N 3.41Å; S2466-D2468 PolarHBondContact O-N 3.44Å
2467	L	35.3	Very low	34.7	Very low	132.2 Å²	132.2	125.5 Å²	125.5	69%	0.692	70%	0.697	S	S	*	*			trans	-10.7	118.4	152.4	-67.7	174.6	0	0	0	114.6	R2469	L2467-R2469 HydrophobicContact CB-CB 4.44Å; L2467-R2469 HydrophobicContact CD2-CG 4.19Å
2468	D	37.8	Very low	34.3	Very low	139.2 Å²	139.2	127.3 Å²	127.3	74%	0.744	70%	0.702	S	S	*	*			trans	26.9	114.9	132.1	-95.8	-17.9	0	0	0	115.5	S2466 Y2471 P2474	S2466-D2468 PolarHBondContact O-N 3.44Å; D2468-Y2471 CarbonylContact C-O 3.43Å; D2468-Y2471 VanDerWaalsContact O-O 3.08Å; D2468-P2474 WeakPolarHBondContact O-CD 3.5Å
2469	R	36.7	Very low	34.1	Very low	200.6 Å²	200.6	129.7 Å²	129.7	76%	0.757	71%	0.706	S	S	*	*				157.8	100.7	52.8	-133.1	177.3	-153.6	-161.4	4.7	113.3	L2467 Y2471	L2467-R2469 HydrophobicContact CB-CB 4.44Å; L2467-R2469 HydrophobicContact CD2-CG 4.19Å; R2469-Y2471 CarbonylContact C-O 3.12Å; R2469-Y2471 PolarHBondContact N-O 3.12Å
2470	C	31.5	Very low	34.2	Very low	103.4 Å²	103.4	130.2 Å²	130.2	70%	0.699	71%	0.708	S	S	*	*			trans	55.7	129.9	140.1	-84.2	0	0	0	0	116.3	S2472 T2473	C2470-S2472 VanDerWaalsContact CA-N 3.32Å; C2470-S2472 PolarHBondContact O-N 3.33Å; C2470-T2473 HydrophobicContact CB-CG2 3.95Å; C2470-T2473 PolarHBondContact N-O 2.99Å; C2470-T2473 PolarHBondContact SG-OG1 3.48Å
2471	Y	33.4	Very low	34.1	Very low	196.4 Å²	196.4	130.6 Å²	130.6	77%	0.77	71%	0.711	S	S	*	*			trans	-93.9	123.5	172.8	-67.4	-90.1	0	0	0	112.5	D2468 R2469 P2474	D2468-Y2471 CarbonylContact C-O 3.43Å; D2468-Y2471 VanDerWaalsContact O-O 3.08Å; R2469-Y2471 CarbonylContact C-O 3.12Å; R2469-Y2471 PolarHBondContact N-O 3.12Å; Y2471-P2474 WeakPolarHBondContact O-CD 3.46Å
2472	S	33.6	Very low	34.1	Very low	100.8 Å²	100.8	130.2 Å²	130.2	71%	0.705	71%	0.714	S	S	*	*			cis	162.7	100.3	43.2	-75.9	0	0	0	0	113.1	C2470	C2470-S2472 VanDerWaalsContact CA-N 3.32Å; C2470-S2472 PolarHBondContact O-N 3.33Å
2473	T	29.6	Very low	33.8	Very low	108.8 Å²	108.8	130.3 Å²	130.3	67%	0.667	72%	0.719	S	S	*	*			trans	-98.9	162.8	148.1	6	0	0	0	0	113.3	C2470	C2470-T2473 HydrophobicContact CB-CG2 3.95Å; C2470-T2473 PolarHBondContact N-O 2.99Å; C2470-T2473 PolarHBondContact SG-OG1 3.48Å
2474	P	32.3	Very low	33.6	Very low	101.4 Å²	101.4	129.3 Å²	129.3	66%	0.658	72%	0.722	S	S	*	*			cis	-119.2	169.7	-38.1	24.4	-8.6	0	0	0	114.2	D2468 Y2471	D2468-P2474 WeakPolarHBondContact O-CD 3.5Å; Y2471-P2474 WeakPolarHBondContact O-CD 3.46Å
2475	S	30.4	Very low	33.2	Very low	99.6 Å²	99.6	129.8 Å²	129.8	70%	0.697	73%	0.725	S	S	*	*			trans	122.9	106.8	131.2	24.7	0	0	0	0	115.6	C2477	S2475-C2477 PolarHBondContact O-N 2.83Å; S2475-C2477 PolarHBondContact O-SG 3.17Å
2476	S	28.5	Very low	33.2	Very low	103.2 Å²	103.2	129.2 Å²	129.2	72%	0.722	73%	0.728	S	S	*	*				72.4	113.9	126.9	66.9	0	0	0	0	113.6
2477	C	30.6	Very low	32.9	Very low	106.8 Å²	106.8	136.1 Å²	136.1	72%	0.722	74%	0.741	S	S	*	*				162.4	131.8	86	44.4	0	0	0	0	114.9	S2475	S2475-C2477 PolarHBondContact O-N 2.83Å; S2475-C2477 PolarHBondContact O-SG 3.17Å
2478	L	31.1	Very low	33	Very low	150.6 Å²	150.6	132.5 Å²	132.5	79%	0.788	74%	0.737	S	S	*	*			trans	85.8	118.4	153.1	-70.2	170.1	0	0	0	113.7
2479	E	34.7	Very low	32.7	Very low	158.6 Å²	158.6	131.2 Å²	131.2	74%	0.741	74%	0.738	S	S	*	*				-163	136.1	68.2	-98.6	-177.8	133.4	0	0	112
2480	Q	37.2	Very low	32.7	Very low	161.2 Å²	161.2	126.4 Å²	126.4	75%	0.753	74%	0.736	S	S	*	*				179.2	161.2	85.6	-88	-177.3	-24.2	0	0	111.1	D2482	Q2480-D2482 PolarHBondContact O-N 3.17Å
2481	P	34.5	Very low	32.8	Very low	107.2 Å²	107.2	129.9 Å²	129.9	70%	0.696	74%	0.739	S	S	*	*			cis	-113.2	158.9	-13.9	37.3	-26.7	0	0	0	113.5
2482	D	33.7	Very low	33	Very low	148.2 Å²	148.2	131.2 Å²	131.2	79%	0.793	74%	0.744	S	S	*	*			trans	91	123.4	147.5	-83.1	-19.5	0	0	0	117.1	Q2480	Q2480-D2482 PolarHBondContact O-N 3.17Å
2483	S	32.7	Very low	33.2	Very low	107.8 Å²	107.8	130.6 Å²	130.6	75%	0.754	75%	0.745	S	S	*	*				-146.4	133.9	125.7	65.4	0	0	0	0	113.2	Q2485	S2483-Q2485 PolarHBondContact O-N 3.22Å
2484	C	30.8	Very low	33.5	Very low	113 Å²	113	133.4 Å²	133.4	76%	0.764	76%	0.755	S	S	*	*			trans	-121.8	139.5	135.3	-91.1	0	0	0	0	110.3
2485	Q	32	Very low	33.9	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	76%	0.76	S	S	*	*			trans	18.8	132.6	143.5	-68.5	-82.8	-22.1	0	0	113.9	S2483	S2483-Q2485 PolarHBondContact O-N 3.22Å
2486	P	34.9	Very low	34.3	Very low	109.2 Å²	109.2	139 Å²	139	71%	0.709	76%	0.762	S	S	*	*			trans	-119.4	123.9	176	34.6	-26.2	0	0	0	114.4
2487	Y	29	Very low	34.5	Very low	232.2 Å²	232.2	140.6 Å²	140.6	91%	0.911	76%	0.756	S	S	*	*			trans	-157.7	141.6	159.7	-125	-92.6	0	0	0	112.4
2488	G	38.2	Very low	34.7	Very low	57.4 Å²	57.4	143 Å²	143	59%	0.592	76%	0.756	S	S	*	*				108	74.9	125.8	0	0	0	0	0	115	S2490	G2488-S2490 PolarHBondContact O-N 3.11Å; G2488-S2490 PolarHBondContact O-OG 2.79Å
2489	S	31.6	Very low	34.9	Very low	110.8 Å²	110.8	142.1 Å²	142.1	78%	0.775	76%	0.756	S	S	*	*			trans	16.1	125.6	163.7	61.1	0	0	0	0	117.7
2490	S	36.1	Very low	34.7	Very low	100.8 Å²	100.8	137.5 Å²	137.5	71%	0.705	75%	0.751	S	S	*	*			trans	103.2	119	147.4	60.2	0	0	0	0	117.3	G2488	G2488-S2490 PolarHBondContact O-N 3.11Å; G2488-S2490 PolarHBondContact O-OG 2.79Å
2491	F	33.5	Very low	34.4	Very low	176.6 Å²	176.6	138.1 Å²	138.1	78%	0.775	75%	0.751	S	S	*	*			trans	81.1	129.2	142.6	-78.2	-76.4	0	0	0	117.8
2492	Y	37.6	Very low	34.2	Very low	224.8 Å²	224.8	137.9 Å²	137.9	88%	0.882	75%	0.753	S	S	*	*			trans	174.9	139.7	155.8	-75.5	-67.9	0	0	0	114.9
2493	A	38.2	Very low	34.1	Very low	86.4 Å²	86.4	138.1 Å²	138.1	71%	0.714	75%	0.753	S	S	*	*			trans	-137.9	116.9	179.5	0	0	0	0	0	114.9
2494	L	35.9	Very low	34.1	Very low	168.4 Å²	168.4	139.6 Å²	139.6	88%	0.882	75%	0.753	S	S	*	*			trans	-161.4	127.2	141.1	-72.6	178.1	0	0	0	111.7
2495	E	40.1	Very low	34.5	Very low	164.8 Å²	164.8	140.2 Å²	140.2	77%	0.77	75%	0.752	S	S	*	*			trans	-144.6	130.4	144.6	-80.7	-172.7	172.8	0	0	111.4	K2497	E2495-K2497 WeakPolarHBondContact OE2-CE 3.1Å; E2495-K2497 IonicContact OE2-NZ 3.23Å; E2495-K2497 PolarHBondContact OE2-NZ 2.66Å
2496	E	39.2	Very low	34.6	Very low	154.6 Å²	154.6	134.9 Å²	134.9	72%	0.722	75%	0.745	S	S	*	*			trans	-142.6	143.2	159.9	-127.5	-158.5	136.7	0	0	111.7
2497	K	33.7	Very low	34.6	Very low	136.8 Å²	136.8	137.6 Å²	137.6	60%	0.595	75%	0.748	S	S	*	*				61.7	116.9	115.7	-65.7	174.6	174.4	176	0	115.2	L2454 L2455 E2456 V2457 E2495 V2499	L2454-K2497 HydrophobicContact CB-CD 4.45Å; L2454-K2497 HydrophobicContact CD2-CB 4.47Å; L2455-K2497 HydrophobicContact CB-CB 3.32Å; L2455-K2497 HydrophobicContact CB-CG 4.48Å; L2455-K2497 WeakPolarHBondContact O-CB 3.45Å; L2455-K2497 WeakPolarHBondContact O-CD 3.43Å; L2455-K2497 WeakPolarHBondContact O-CE 3.06Å; L2455-K2497 WeakPolarHBondContact O-CG 3.04Å; L2455-K2497 PolarHBondContact O-NZ 3.47Å; E2456-K2497 HydrophobicContact CB-CB 4.26Å; E2456-K2497 HydrophobicContact CB-CG 4.01Å; E2456-K2497 VanDerWaalsContact N-CA 3.35Å; E2456-K2497 WeakPolarHBondContact O-CE 3.24Å; E2456-K2497 WeakPolarHBondContact O-CG 3.34Å; E2456-K2497 PolarHBondContact O-NZ 3.02Å; E2456-K2497 WeakPolarHBondContact OE1-CA 3.21Å; E2456-K2497 PolarHBondContact OE1-N 3.03Å; V2457-K2497 HydrophobicContact CB-CG 4.32Å; E2495-K2497 WeakPolarHBondContact OE2-CE 3.1Å; E2495-K2497 IonicContact OE2-NZ 3.23Å; E2495-K2497 PolarHBondContact OE2-NZ 2.66Å; K2497-V2499 PolarHBondContact O-N 2.96Å
2498	H	34.7	Very low	35	Very low	157 Å²	157	133.4 Å²	133.4	73%	0.727	74%	0.74	S	S	*	*				-91.6	162.9	126.3	-73.8	-52	0	0	0	114.8	L2455 E2456	L2455-H2498 VanDerWaalsContact C-CG 3.43Å; L2455-H2498 VanDerWaalsContact C-N 3.32Å; L2455-H2498 WeakPolarHBondContact CA-CD2 3.33Å; L2455-H2498 HydrophobicContact CB-CB 4.28Å; L2455-H2498 WeakPolarHBondContact CD2-O 3.16Å; L2455-H2498 HydrophobicContact CG-CB 4.09Å; L2455-H2498 VanDerWaalsContact CG-N 3.29Å; L2455-H2498 WeakPolarHBondContact CG-O 3.47Å; L2455-H2498 PolarHBondContact N-CD2 3.45Å; L2455-H2498 PolarHBondContact N-NE2 3.44Å; E2456-H2498 WeakPolarHBondContact CA-ND1 3.26Å; E2456-H2498 HydrophobicContact CG-CB 4.27Å; E2456-H2498 VanDerWaalsContact CG-N 3.27Å; E2456-H2498 PolarHBondContact N-CE1 3.34Å; E2456-H2498 VanDerWaalsContact N-CE1 3.34Å; E2456-H2498 PolarHBondContact N-ND1 2.95Å
2499	V	33.6	Very low	34.9	Very low	132.2 Å²	132.2	137 Å²	137	80%	0.801	74%	0.741	S	S	*	*			trans	98.9	121	134.9	175.1	0	0	0	0	113.9	L2455 K2497 F2501	L2455-V2499 HydrophobicContact CD1-CB 4.22Å; K2497-V2499 PolarHBondContact O-N 2.96Å; V2499-F2501 HydrophobicContact CG1-CD2 4.01Å; V2499-F2501 HydrophobicContact CG1-CE1 4.28Å; V2499-F2501 HydrophobicContact CG1-CE2 4.02Å; V2499-F2501 HydrophobicContact CG1-CZ 3.49Å; V2499-F2501 VanDerWaalsContact CG1-CZ 3.49Å
2500	G	31.2	Very low	35.2	Very low	60.2 Å²	60.2	140.1 Å²	140.1	62%	0.621	74%	0.741	S	S	*	*			trans	-168.3	118.6	173.7	0	0	0	0	0	114.9	S2502	G2500-S2502 PolarHBondContact O-N 3.05Å
2501	F	31	Very low	35.4	Very low	175.4 Å²	175.4	142.4 Å²	142.4	77%	0.769	74%	0.738	S	S	*	*			trans	20.8	114.4	167.6	-68.2	-73.4	0	0	0	114.8	L1990 E1991 Q1992 V2499	L1990-F2501 HydrophobicContact CB-CE2 3.73Å; L1990-F2501 HydrophobicContact CB-CZ 4.16Å; L1990-F2501 HydrophobicContact CD2-CD2 4.34Å; L1990-F2501 HydrophobicContact CD2-CE2 4.31Å; L1990-F2501 HydrophobicContact CG-CE2 4.41Å; L1990-F2501 WeakPolarHBondContact O-CZ 3.25Å; E1991-F2501 VanDerWaalsContact C-CE1 3.4Å; E1991-F2501 HydrophobicContact CB-CD1 3.5Å; E1991-F2501 VanDerWaalsContact CB-CD1 3.5Å; E1991-F2501 HydrophobicContact CB-CD2 3.99Å; E1991-F2501 HydrophobicContact CB-CE1 3.52Å; E1991-F2501 HydrophobicContact CB-CE2 4Å; E1991-F2501 HydrophobicContact CB-CG 3.77Å; E1991-F2501 HydrophobicContact CB-CZ 3.77Å; E1991-F2501 HydrophobicContact CG-CB 4.44Å; E1991-F2501 HydrophobicContact CG-CD1 3.57Å; E1991-F2501 HydrophobicContact CG-CE1 4.08Å; E1991-F2501 HydrophobicContact CG-CG 3.84Å; Q1992-F2501 HydrophobicContact CB-CD1 4.09Å; Q1992-F2501 HydrophobicContact CB-CE1 4.38Å; Q1992-F2501 WeakPolarHBondContact O-CE1 3.35Å; V2499-F2501 HydrophobicContact CG1-CD2 4.01Å; V2499-F2501 HydrophobicContact CG1-CE1 4.28Å; V2499-F2501 HydrophobicContact CG1-CE2 4.02Å; V2499-F2501 HydrophobicContact CG1-CZ 3.49Å; V2499-F2501 VanDerWaalsContact CG1-CZ 3.49Å
2502	S	30.4	Very low	35.4	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	73%	0.733	S	S	*	*				174.7	127.8	127	-58.8	0	0	0	0	113.7	G2500	G2500-S2502 PolarHBondContact O-N 3.05Å
2503	L	31.4	Very low	35.4	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	73%	0.734	S	S	*	*			trans	22	113.7	150.4	-76.8	164.8	0	0	0	114.9	E1991 V2505 K3004	E1991-L2503 WeakPolarHBondContact OE1-CD1 3.37Å; L2503-V2505 HydrophobicContact CD2-CG2 3.8Å; L2503-V2505 PolarHBondContact O-N 3.48Å; L2503-K3004 PolarHBondContact O-NZ 2.92Å
2504	D	33.5	Very low	35.3	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	74%	0.735	S	S	*	*			trans	-9	122.8	140.9	-155.8	16.1	0	0	0	113.1	K3004	D2504-K3004 HydrophobicContact CB-CD 3.75Å; D2504-K3004 HydrophobicContact CB-CG 4.04Å
2505	V	37.9	Very low	35.5	Very low	124.2 Å²	124.2	137 Å²	137	75%	0.753	73%	0.734	S	S	*	*			trans	-160.9	119.8	165	174.9	0	0	0	0	108.2	L2503	L2503-V2505 HydrophobicContact CD2-CG2 3.8Å; L2503-V2505 PolarHBondContact O-N 3.48Å
2506	G	34.8	Very low	35.4	Very low	65.6 Å²	65.6	138.4 Å²	138.4	68%	0.676	74%	0.738	S	S	*	*			trans	-129.3	128.6	153.5	0	0	0	0	0	112.4	I2508	G2506-I2508 PolarHBondContact O-N 3.2Å
2507	E	34	Very low	35.3	Very low	166.8 Å²	166.8	141.4 Å²	141.4	78%	0.779	74%	0.743	S	S	*	*			trans	16.5	99.5	146.5	-75.7	-134.7	130.2	0	0	116.2	K2510	E2507-K2510 WeakPolarHBondContact OE1-CE 3.38Å; E2507-K2510 IonicContact OE1-NZ 2.63Å; E2507-K2510 PolarHBondContact OE1-NZ 2.98Å; E2507-K2510 IonicContact OE2-NZ 2.59Å; E2507-K2510 PolarHBondContact OE2-NZ 3Å
2508	I	38.8	Very low	35.5	Very low	144.2 Å²	144.2	145.3 Å²	145.3	74%	0.739	75%	0.754	S	S	*	*			trans	-163.5	126.9	136.7	13.8	169	0	0	0	114	G2506 K2510	G2506-I2508 PolarHBondContact O-N 3.2Å; I2508-K2510 PolarHBondContact O-N 3.15Å; I2508-K2510 VanDerWaalsContact O-N 3.09Å
2509	E	36.2	Very low	35.8	Very low	131.6 Å²	131.6	141.2 Å²	141.2	62%	0.615	75%	0.754	S	S	*	*			trans	-47.7	128.3	151.8	-68.2	-156.9	111.7	0	0	113.9	C2151 K2511	C2151-E2509 PolarHBondContact SG-OE2 2.65Å; E2509-K2511 HydrophobicContact CB-CD 4.08Å; E2509-K2511 HydrophobicContact CB-CG 4.2Å; E2509-K2511 VanDerWaalsContact CD-CE 3.46Å; E2509-K2511 VanDerWaalsContact CD-NZ 3.28Å; E2509-K2511 WeakPolarHBondContact OE1-CE 3.01Å; E2509-K2511 IonicContact OE1-NZ 2.91Å; E2509-K2511 PolarHBondContact OE1-NZ 2.8Å; E2509-K2511 VanDerWaalsContact OE2-CE 3.31Å; E2509-K2511 WeakPolarHBondContact OE2-CE 3.28Å; E2509-K2511 IonicContact OE2-NZ 2.62Å; E2509-K2511 PolarHBondContact OE2-NZ 3.06Å
2510	K	38	Very low	36.2	Very low	176 Å²	176	144.5 Å²	144.5	77%	0.765	75%	0.752	S	S	*	*				-169.3	85.3	109.3	-74	169.3	-174.5	161.7	0	114.3	E2507 I2508	E2507-K2510 WeakPolarHBondContact OE1-CE 3.38Å; E2507-K2510 IonicContact OE1-NZ 2.63Å; E2507-K2510 PolarHBondContact OE1-NZ 2.98Å; E2507-K2510 IonicContact OE2-NZ 2.59Å; E2507-K2510 PolarHBondContact OE2-NZ 3Å; I2508-K2510 PolarHBondContact O-N 3.15Å; I2508-K2510 VanDerWaalsContact O-N 3.09Å
2511	K	39.5	Very low	36.6	Very low	150.6 Å²	150.6	152.3 Å²	152.3	66%	0.655	76%	0.763	S	S	*	*			trans	61	111.3	134.9	-61.9	179	-177	172.2	0	114.8	S2147 L2148 D2149 R2150 E2509	S2147-K2511 CarbonylContact C-O 3.43Å; L2148-K2511 WeakPolarHBondContact CA-O 3.37Å; L2148-K2511 PolarHBondContact N-O 3.15Å; D2149-K2511 WeakPolarHBondContact O-CD 3.49Å; R2150-K2511 VanDerWaalsContact C-CE 3.46Å; R2150-K2511 VanDerWaalsContact C-NZ 3.29Å; R2150-K2511 WeakPolarHBondContact O-CD 3.31Å; R2150-K2511 VanDerWaalsContact O-CE 3.29Å; R2150-K2511 WeakPolarHBondContact O-CE 3.25Å; R2150-K2511 PolarHBondContact O-NZ 2.81Å; E2509-K2511 HydrophobicContact CB-CD 4.08Å; E2509-K2511 HydrophobicContact CB-CG 4.2Å; E2509-K2511 VanDerWaalsContact CD-CE 3.46Å; E2509-K2511 VanDerWaalsContact CD-NZ 3.28Å; E2509-K2511 WeakPolarHBondContact OE1-CE 3.01Å; E2509-K2511 IonicContact OE1-NZ 2.91Å; E2509-K2511 PolarHBondContact OE1-NZ 2.8Å; E2509-K2511 VanDerWaalsContact OE2-CE 3.31Å; E2509-K2511 WeakPolarHBondContact OE2-CE 3.28Å; E2509-K2511 IonicContact OE2-NZ 2.62Å; E2509-K2511 PolarHBondContact OE2-NZ 3.06Å
2512	G	34.3	Very low	37	Very low	64.4 Å²	64.4	148.7 Å²	148.7	66%	0.664	76%	0.759	S	S	*	*			trans	-154.2	169.4	161.6	0	0	0	0	0	115.3	G2514	G2512-G2514 PolarHBondContact O-N 3.26Å
2513	K	36.1	Very low	37.4	Very low	207.2 Å²	207.2	153.5 Å²	153.5	90%	0.901	77%	0.767	S	S	*	*			trans	-161	87.4	-172.5	-70.4	168	-175.9	171	0	115	K2515	K2513-K2515 PolarHBondContact O-N 3.06Å
2514	G	37.9	Very low	37.8	Very low	72 Å²	72	155.3 Å²	155.3	74%	0.742	77%	0.769	S	S	*	*			trans	-119.8	100.2	172.5	0	0	0	0	0	115.4	G2512	G2512-G2514 PolarHBondContact O-N 3.26Å
2515	K	39.9	Very low	37.9	Very low	198.8 Å²	198.8	156.5 Å²	156.5	86%	0.864	77%	0.77	S	S	*	*				-164.4	130.6	129.4	-74.4	169.6	179.7	172	0	113.7	K2513	K2513-K2515 PolarHBondContact O-N 3.06Å
2516	K	36.5	Very low	37.7	Very low	193 Å²	193	160.4 Å²	160.4	84%	0.839	77%	0.771	S	S	*	*			trans	13	125.7	146.7	-57.3	169.9	-178.8	177.4	0	114.6
2517	R	37.8	Very low	37.9	Very low	218.8 Å²	218.8	168 Å²	168	83%	0.826	78%	0.779	S	S	*	*				173.3	132.3	101.7	-92	174	172.1	-173.8	-1.4	111.5
2518	R	37.5	Very low	38	Very low	218.2 Å²	218.2	171.3 Å²	171.3	82%	0.823	78%	0.784	S	S	*	*				104.3	114.6	121.9	-90.4	-175.7	178.7	-167.7	-1.2	114.2
2519	G	41.5	Very low	37.8	Very low	71.6 Å²	71.6	167.7 Å²	167.7	74%	0.738	78%	0.783	S	S	*	*			trans	-165.8	115.8	166.7	0	0	0	0	0	114.2
2520	R	41.3	Very low	37.9	Very low	201 Å²	201	169.4 Å²	169.4	76%	0.758	78%	0.784	S	S	*	*			trans	-70	114.8	130.1	-76	-176.6	169	-171.5	-2.2	115.6
2521	R	40.7	Very low	37.9	Very low	224.6 Å²	224.6	168.7 Å²	168.7	85%	0.848	78%	0.781	S	S	*	*			trans	13.9	127.3	144.3	-64.4	173.7	174.8	177.9	-3.9	116.9	K2757	R2521-K2757 PolarHBondContact O-NZ 3.44Å
2522	S	38.6	Very low	37.7	Very low	99.2 Å²	99.2	168.1 Å²	168.1	69%	0.694	78%	0.78	S	S	*	*			trans	-143.2	101.4	130.6	53.9	0	0	0	0	115.2
2523	K	39.3	Very low	37.8	Very low	202.8 Å²	202.8	167.8 Å²	167.8	88%	0.882	78%	0.777	S	S	*	*				103.1	116.8	120.8	-81.4	-174	177	-172.6	0	113.9	E2525	K2523-E2525 VanDerWaalsContact C-N 3.33Å; K2523-E2525 PolarHBondContact O-N 3.09Å
2524	K	38.9	Very low	38	Very low	191.4 Å²	191.4	166 Å²	166	83%	0.832	77%	0.772	S	S	*	*			trans	44.4	116.7	133.7	-129	-178.9	178.5	-164.3	0	113.4
2525	E	36.5	Very low	37.9	Very low	165 Å²	165	170.1 Å²	170.1	77%	0.771	77%	0.772	S	S	*	*				-154.3	152.4	95.3	-162.7	157.4	173.7	0	0	111.5	K2523 R2527	K2523-E2525 VanDerWaalsContact C-N 3.33Å; K2523-E2525 PolarHBondContact O-N 3.09Å; E2525-R2527 PolarHBondContact O-N 3.38Å
2526	R	33.5	Very low	37.8	Very low	205.4 Å²	205.4	166.6 Å²	166.6	78%	0.775	76%	0.762	S	S	*	*			trans	-103.8	124.2	163.7	-95.8	177.9	84.5	161.4	-1	113
2527	R	38.7	Very low	37.9	Very low	224.4 Å²	224.4	164.3 Å²	164.3	85%	0.847	76%	0.755	S	S	*	*			trans	-166.1	130.7	135	-62.1	178.9	174.5	-174.5	-3.7	111.7	E2525	E2525-R2527 PolarHBondContact O-N 3.38Å
2528	R	35.7	Very low	37.7	Very low	237.2 Å²	237.2	160.4 Å²	160.4	90%	0.895	75%	0.75	S	S	*	*				54.7	123.2	94.1	-75.8	178.3	172	-179.3	-4.7	112.9
2529	G	36.2	Very low	37.8	Very low	68.4 Å²	68.4	154.9 Å²	154.9	71%	0.705	74%	0.743	S	S	*	*			cis	150.8	107.3	16.4	0	0	0	0	0	112.4	K2531	G2529-K2531 PolarHBondContact O-N 2.63Å
2530	R	38.3	Very low	37.6	Very low	166.8 Å²	166.8	156.2 Å²	156.2	63%	0.629	74%	0.738	S	S	*	*			trans	82.9	127.9	158.1	-117.8	-176	178.6	-165.3	4.8	110.5	F2097 Y2098 I2099 D2332 S2333 E2532	F2097-R2530 VanDerWaalsContact CB-CA 3.5Å; Y2098-R2530 CarbonylContact C-O 3.06Å; Y2098-R2530 VanDerWaalsContact C-O 3.31Å; Y2098-R2530 VanDerWaalsContact N-CG 3.25Å; Y2098-R2530 WeakPolarHBondContact O-CB 3.44Å; Y2098-R2530 WeakPolarHBondContact O-CD 3.11Å; Y2098-R2530 WeakPolarHBondContact O-CG 3.36Å; Y2098-R2530 PolarHBondContact O-NH1 3.49Å; I2099-R2530 VanDerWaalsContact CA-O 3.28Å; I2099-R2530 WeakPolarHBondContact CA-O 3.29Å; I2099-R2530 WeakPolarHBondContact CB-O 2.94Å; I2099-R2530 WeakPolarHBondContact CD1-O 3.32Å; I2099-R2530 HydrophobicContact CG1-CB 4.14Å; I2099-R2530 WeakPolarHBondContact CG1-O 3.12Å; I2099-R2530 PolarHBondContact N-O 3.21Å; D2332-R2530 PolarHBondContact O-NH1 3.25Å; D2332-R2530 PolarHBondContact O-NH2 3.3Å; S2333-R2530 PolarHBondContact O-NH1 3.38Å; R2530-E2532 WeakPolarHBondContact CG-OE2 3.47Å; R2530-E2532 IonicContact CZ-OE1 3.87Å; R2530-E2532 VanDerWaalsContact NE-CD 3.31Å; R2530-E2532 IonicContact NE-OE1 3.06Å; R2530-E2532 PolarHBondContact NE-OE1 2.8Å; R2530-E2532 IonicContact NE-OE2 2.69Å; R2530-E2532 PolarHBondContact NE-OE2 3.45Å; R2530-E2532 IonicContact NH2-OE1 2.61Å; R2530-E2532 PolarHBondContact NH2-OE1 2.86Å
2531	K	36.5	Very low	37.1	Very low	161.4 Å²	161.4	152.7 Å²	152.7	70%	0.702	74%	0.743	S	S	*	*				-152	148.4	118.3	-98.4	-175.9	172.9	-161.2	0	110.9	A2096 F2097 Y2098 I2099 G2529	A2096-K2531 WeakPolarHBondContact CB-O 2.97Å; F2097-K2531 VanDerWaalsContact C-C 3.43Å; F2097-K2531 VanDerWaalsContact CB-O 3.26Å; F2097-K2531 WeakPolarHBondContact CB-O 3.41Å; F2097-K2531 CarbonylContact O-C 3.22Å; F2097-K2531 WeakPolarHBondContact O-CA 3.4Å; F2097-K2531 PolarHBondContact O-N 2.78Å; Y2098-K2531 VanDerWaalsContact N-CA 3.34Å; I2099-K2531 PolarHBondContact O-NZ 3.42Å; G2529-K2531 PolarHBondContact O-N 2.63Å
2532	E	35.9	Very low	36.9	Very low	138.8 Å²	138.8	147.2 Å²	147.2	65%	0.649	74%	0.736	S	S	*	*			trans	-64.6	157.8	163.5	-78.4	91.2	-164.1	0	0	113.3	Y2093 F2097 Y2098 R2530	Y2093-E2532 HydrophobicContact CE1-CB 4.1Å; Y2093-E2532 HydrophobicContact CE1-CG 4.2Å; F2097-E2532 WeakPolarHBondContact O-CA 3.28Å; F2097-E2532 VanDerWaalsContact O-CG 3.32Å; F2097-E2532 WeakPolarHBondContact O-CG 3.25Å; F2097-E2532 PolarHBondContact O-N 3.16Å; Y2098-E2532 WeakPolarHBondContact CA-OE1 2.97Å; Y2098-E2532 WeakPolarHBondContact CB-OE1 3.04Å; Y2098-E2532 WeakPolarHBondContact CD1-OE1 3.29Å; R2530-E2532 WeakPolarHBondContact CG-OE2 3.47Å; R2530-E2532 IonicContact CZ-OE1 3.87Å; R2530-E2532 VanDerWaalsContact NE-CD 3.31Å; R2530-E2532 IonicContact NE-OE1 3.06Å; R2530-E2532 PolarHBondContact NE-OE1 2.8Å; R2530-E2532 IonicContact NE-OE2 2.69Å; R2530-E2532 PolarHBondContact NE-OE2 3.45Å; R2530-E2532 IonicContact NH2-OE1 2.61Å; R2530-E2532 PolarHBondContact NH2-OE1 2.86Å
2533	G	36.8	Very low	36.6	Very low	58.4 Å²	58.4	153.7 Å²	153.7	60%	0.602	75%	0.746	S	S	*	*			trans	125	119.5	161.9	0	0	0	0	0	109.8	A2096	A2096-G2533 WeakPolarHBondContact CB-O 3.28Å; A2096-G2533 PolarHBondContact N-O 2.84Å; A2096-G2533 VanDerWaalsContact N-O 3.16Å
2534	E	39.2	Very low	36.1	Very low	169.2 Å²	169.2	151.6 Å²	151.6	79%	0.791	74%	0.743	S	S	*	*			cis	-163.9	146	34	-138.9	165	-165.3	0	0	109.6	R2094	R2094-E2534 PolarHBondContact N-O 3.43Å
2535	E	37.2	Very low	35.9	Very low	157.2 Å²	157.2	147.5 Å²	147.5	74%	0.735	74%	0.739	S	S	*	*			trans	-53.4	144.8	163.2	-75.3	175.7	153.1	0	0	114.8	Q2091 Q2537	Q2091-E2535 HydrophobicContact CB-CB 4.38Å; Q2091-E2535 HydrophobicContact CB-CG 4.04Å; Q2091-E2535 HydrophobicContact CG-CB 4.22Å; Q2091-E2535 HydrophobicContact CG-CG 4Å; E2535-Q2537 HydrophobicContact CG-CG 4.35Å; E2535-Q2537 PolarHBondContact OE1-NE2 2.89Å
2536	D	37.6	Very low	36	Very low	125.4 Å²	125.4	149.3 Å²	149.3	67%	0.671	74%	0.739	S	S	*	*				-131.4	163.3	126.7	-170.6	18	0	0	0	111	Q2091 P2092	Q2091-D2536 PolarHBondContact NE2-OD2 2.84Å; Q2091-D2536 VanDerWaalsContact OE1-C 3.25Å; Q2091-D2536 VanDerWaalsContact OE1-CA 3.25Å; Q2091-D2536 VanDerWaalsContact OE1-CB 3.31Å; Q2091-D2536 PolarHBondContact OE1-O 2.88Å; P2092-D2536 HydrophobicContact CB-CB 4.05Å; P2092-D2536 VanDerWaalsContact CD-CB 3.47Å; P2092-D2536 HydrophobicContact CG-CB 4.03Å
2537	Q	37.5	Very low	36	Very low	144.8 Å²	144.8	145.7 Å²	145.7	68%	0.677	73%	0.731	S	S	*	*			trans	-122.1	131.3	178.6	-70.4	-121.9	2.6	0	0	114.2	E2535	E2535-Q2537 HydrophobicContact CG-CG 4.35Å; E2535-Q2537 PolarHBondContact OE1-NE2 2.89Å
2538	N	34.2	Very low	35.7	Very low	136.6 Å²	136.6	142 Å²	142	73%	0.73	73%	0.727	S	S	*	*			trans	141.7	161.2	155.9	-77.8	-76.5	0	0	0	113.5
2539	P	39.8	Very low	35.7	Very low	103.4 Å²	103.4	137 Å²	137	67%	0.671	72%	0.717	S	S	*	*				-112.1	-163.4	-122.1	33.4	-17.6	0	0	0	112.8
2540	P	36.4	Very low	35.8	Very low	99.4 Å²	99.4	140.3 Å²	140.3	65%	0.645	72%	0.718	S	S	*	*				-123.1	178.9	-97.7	38.5	-25.9	0	0	0	114.1	P2542	P2540-P2542 HydrophobicContact CG-CB 4.18Å; P2540-P2542 HydrophobicContact CG-CG 3.91Å
2541	C	32.6	Very low	35.6	Very low	126.4 Å²	126.4	139.6 Å²	139.6	85%	0.854	72%	0.722	S	S	*	*			trans	170	135.3	150.4	-75.9	0	0	0	0	113.2
2542	P	35	Very low	35.7	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	73%	0.725	S	S	*	*			trans	-111.8	139.5	-162	37.1	-28.6	0	0	0	113.5	P2540	P2540-P2542 HydrophobicContact CG-CB 4.18Å; P2540-P2542 HydrophobicContact CG-CG 3.91Å
2543	R	33	Very low	35.6	Very low	236.4 Å²	236.4	137.2 Å²	137.2	89%	0.892	73%	0.731	S	S	*	*			trans	-149.3	141	152.5	-79.3	-176.4	170.1	148.1	-0.2	111.7
2544	L	29.2	Very low	35.4	Very low	157.6 Å²	157.6	139.8 Å²	139.8	83%	0.825	74%	0.737	S	S	*	*				170.8	128.2	128	-76	177.8	0	0	0	112.4
2545	S	34.1	Very low	35.2	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	74%	0.74	S	S	*	*			trans	-178.6	158.8	157.2	43.6	0	0	0	0	112.4
2546	R	38.6	Very low	35.1	Very low	202.6 Å²	202.6	138.6 Å²	138.6	77%	0.765	74%	0.739	S	S	*	*				112.8	129.3	129	-161.6	169.6	175.5	148.4	16.5	111.8
2547	E	33.9	Very low	34.9	Very low	131 Å²	131	139.4 Å²	139.4	61%	0.612	74%	0.743	S	S	*	*				108.1	152.2	95.2	-95.5	149.4	-161.8	0	0	113.5	L2549	E2547-L2549 HydrophobicContact CG-CD1 3.99Å; E2547-L2549 HydrophobicContact CG-CD2 4.35Å; E2547-L2549 HydrophobicContact CG-CG 4.04Å
2548	L	32.2	Very low	34.9	Very low	145 Å²	145	140.2 Å²	140.2	76%	0.759	75%	0.747	S	S	*	*			trans	117.3	130.7	140	-78.3	177.5	0	0	0	114.7
2549	L	35.4	Very low	34.9	Very low	132.6 Å²	132.6	140.7 Å²	140.7	69%	0.694	75%	0.75	S	S	*	*				74.2	124.8	121.6	-60.1	171.6	0	0	0	116.1	E2547 E2551	E2547-L2549 HydrophobicContact CG-CD1 3.99Å; E2547-L2549 HydrophobicContact CG-CD2 4.35Å; E2547-L2549 HydrophobicContact CG-CG 4.04Å; L2549-E2551 WeakPolarHBondContact CD2-O 3.45Å
2550	D	37.7	Very low	34.6	Very low	137.6 Å²	137.6	140.5 Å²	140.5	74%	0.736	75%	0.751	S	S	*	*			cis	90.3	143.9	49.1	-86.8	-16.6	0	0	0	115.9
2551	E	35.7	Very low	34.6	Very low	152.6 Å²	152.6	143.3 Å²	143.3	71%	0.713	76%	0.759	S	S	*	*			cis	168.6	158.8	-47.9	-108.1	-147.1	134.9	0	0	114	L2549 G2553	L2549-E2551 WeakPolarHBondContact CD2-O 3.45Å; E2551-G2553 PolarHBondContact O-N 2.89Å
2552	K	38.6	Very low	34.6	Very low	175.4 Å²	175.4	143.9 Å²	143.9	76%	0.763	75%	0.754	S	S	*	*			trans	-8.7	136.2	165.6	-57.7	-77.9	-171.4	-173.3	0	113.6
2553	G	32.2	Very low	34.6	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	76%	0.757	S	S	*	*			trans	162	106.9	149.6	0	0	0	0	0	113.3	E2551	E2551-G2553 PolarHBondContact O-N 2.89Å
2554	P	34.3	Very low	34.4	Very low	112.6 Å²	112.6	141.9 Å²	141.9	73%	0.731	75%	0.746	S	S	*	*			trans	-105.6	151	169.8	37.6	-28.2	0	0	0	112.3	V2556	P2554-V2556 HydrophobicContact CG-CG2 4.02Å; P2554-V2556 PolarHBondContact O-N 2.81Å
2555	E	33.9	Very low	34.5	Very low	183 Å²	183	144.6 Å²	144.6	86%	0.855	75%	0.747	S	S	*	*			trans	-77.5	139.1	153	-72.2	176.1	173.1	0	0	114.3
2556	V	35.7	Very low	34.4	Very low	119 Å²	119	144.2 Å²	144.2	72%	0.721	74%	0.744	S	S	*	*				-141.3	136	124.8	-142.3	0	0	0	0	113.4	P2554	P2554-V2556 HydrophobicContact CG-CG2 4.02Å; P2554-V2556 PolarHBondContact O-N 2.81Å
2557	L	33.5	Very low	34.1	Very low	141.8 Å²	141.8	140.7 Å²	140.7	74%	0.742	75%	0.745	S	S	*	*			trans	49.6	123.4	145	-79.5	165.4	0	0	0	117.9	V2462 L2463 D2559	V2462-L2557 CarbonylContact C-O 3.21Å; L2463-L2557 PolarHBondContact N-O 3.36Å; L2557-D2559 HydrophobicContact CD2-CB 4.06Å; L2557-D2559 WeakPolarHBondContact CD2-OD1 3Å; L2557-D2559 VanDerWaalsContact CD2-OD2 3.28Å; L2557-D2559 WeakPolarHBondContact CD2-OD2 3.13Å; L2557-D2559 PolarHBondContact O-N 2.7Å
2558	Q	36.6	Very low	33.8	Very low	161.8 Å²	161.8	139.6 Å²	139.6	76%	0.756	75%	0.749	S	S	*	*			trans	-90	116.3	142.4	-79.5	174.2	-16.7	0	0	111.1	E2461 L2463 S2560	E2461-Q2558 HydrophobicContact CG-CG 4.42Å; E2461-Q2558 VanDerWaalsContact CG-NE2 3.34Å; L2463-Q2558 WeakPolarHBondContact O-CB 3.39Å; Q2558-S2560 PolarHBondContact O-N 2.94Å
2559	D	34.5	Very low	33.5	Very low	148.4 Å²	148.4	138 Å²	138	79%	0.794	75%	0.75	S	S	*	*			trans	-125.2	113	152.9	-118.1	-20.2	0	0	0	107.7	L2557	L2557-D2559 HydrophobicContact CD2-CB 4.06Å; L2557-D2559 WeakPolarHBondContact CD2-OD1 3Å; L2557-D2559 VanDerWaalsContact CD2-OD2 3.28Å; L2557-D2559 WeakPolarHBondContact CD2-OD2 3.13Å; L2557-D2559 PolarHBondContact O-N 2.7Å
2560	S	33.9	Very low	33.2	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	75%	0.749	S	S	*	*			trans	-163.2	117.7	144.9	49.3	0	0	0	0	111.4	Q2558	Q2558-S2560 PolarHBondContact O-N 2.94Å
2561	L	35	Very low	32.7	Very low	157.6 Å²	157.6	133.5 Å²	133.5	83%	0.825	75%	0.75	S	S	*	*				-168.1	115	119.4	-79	175.1	0	0	0	111.7	R2563	L2561-R2563 PolarHBondContact O-N 3.45Å
2562	D	34.1	Very low	32.4	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	74%	0.743	S	S	*	*			trans	-108.3	133.4	149.4	-113.7	-23.3	0	0	0	111.4
2563	R	34.4	Very low	32.1	Very low	207.4 Å²	207.4	129 Å²	129	78%	0.783	73%	0.734	S	S	*	*				87.4	101.1	92.9	-146.5	174.5	-135	-130.6	-4.8	112.9	L2561 Y2565	L2561-R2563 PolarHBondContact O-N 3.45Å; R2563-Y2565 HydrophobicContact CG-CD2 4.4Å; R2563-Y2565 PolarHBondContact O-N 3.3Å
2564	C	28.6	Very low	32	Very low	96 Å²	96	132.2 Å²	132.2	65%	0.649	73%	0.733	S	S	*	*			trans	-36	121.6	140.3	-60.3	0	0	0	0	113.7	S2566	C2564-S2566 VanDerWaalsContact C-N 3.29Å; C2564-S2566 PolarHBondContact O-N 3.34Å
2565	Y	31.9	Very low	31.9	Very low	215.4 Å²	215.4	131.6 Å²	131.6	85%	0.845	73%	0.728	S	S	*	*				-120.1	100.5	127.1	-75.3	-74.6	0	0	0	111.4	R2563 T2567	R2563-Y2565 HydrophobicContact CG-CD2 4.4Å; R2563-Y2565 PolarHBondContact O-N 3.3Å; Y2565-T2567 PolarHBondContact O-N 3.09Å
2566	S	30.8	Very low	31.7	Very low	97.6 Å²	97.6	129.8 Å²	129.8	68%	0.683	72%	0.724	S	S	*	*			trans	-126.8	130.1	151.4	-74.5	0	0	0	0	109.3	C2564 P2568	C2564-S2566 VanDerWaalsContact C-N 3.29Å; C2564-S2566 PolarHBondContact O-N 3.34Å; S2566-P2568 VanDerWaalsContact C-CD 3.42Å; S2566-P2568 WeakPolarHBondContact O-CD 3.47Å
2567	T	33.6	Very low	31.3	Very low	129.2 Å²	129.2	128.9 Å²	128.9	79%	0.793	72%	0.723	S	S	*	*			trans	-134.5	124	145.4	-45.9	0	0	0	0	109.8	Y2565 S2569	Y2565-T2567 PolarHBondContact O-N 3.09Å; T2567-S2569 PolarHBondContact O-N 3.01Å; T2567-S2569 VanDerWaalsContact O-N 3.16Å
2568	P	27	Very low	31.2	Very low	106.6 Å²	106.6	127.4 Å²	127.4	69%	0.692	72%	0.723	S	S	*	*			trans	-106.4	140.9	167.7	17.9	-2.7	0	0	0	111	S2566 G2570	S2566-P2568 VanDerWaalsContact C-CD 3.42Å; S2566-P2568 WeakPolarHBondContact O-CD 3.47Å; P2568-G2570 PolarHBondContact O-N 3.41Å
2569	S	26.4	Very low	30.9	Very low	112.4 Å²	112.4	127.5 Å²	127.5	79%	0.786	72%	0.724	S	S	*	*				44.9	107.4	112.4	63.9	0	0	0	0	114	T2567	T2567-S2569 PolarHBondContact O-N 3.01Å; T2567-S2569 VanDerWaalsContact O-N 3.16Å
2570	G	29.8	Very low	30.8	Very low	65 Å²	65	125.3 Å²	125.3	67%	0.67	72%	0.717	S	S	*	*			trans	141.8	129.6	153.9	0	0	0	0	0	113.7	P2568	P2568-G2570 PolarHBondContact O-N 3.41Å
2571	C	27.3	Very low	30.6	Very low	111 Å²	111	130.1 Å²	130.1	75%	0.75	72%	0.722	S	S	*	*			trans	-106.6	149.8	164.7	-59.3	0	0	0	0	108.2
2572	L	29.3	Very low	30.3	Very low	109.8 Å²	109.8	133.6 Å²	133.6	58%	0.575	72%	0.724	S	S	*	*				112	128.6	86.5	-63.9	168.8	0	0	0	111.7	Y2361 E2872 P2873 L3060	Y2361-L2572 HydrophobicContact CD2-CD2 3.64Å; Y2361-L2572 HydrophobicContact CE1-CD2 4.19Å; Y2361-L2572 HydrophobicContact CE2-CD2 3.21Å; Y2361-L2572 HydrophobicContact CE2-CG 3.65Å; Y2361-L2572 HydrophobicContact CG-CD2 4.33Å; Y2361-L2572 WeakPolarHBondContact OH-CG 3.2Å; L2572-E2872 WeakPolarHBondContact CA-OE2 3.01Å; L2572-E2872 HydrophobicContact CD2-CB 4.22Å; L2572-E2872 HydrophobicContact CD2-CG 3.81Å; L2572-P2873 HydrophobicContact CB-CB 3.53Å; L2572-P2873 HydrophobicContact CD2-CB 4.44Å; L2572-P2873 HydrophobicContact CG-CB 4.42Å; L2572-L3060 HydrophobicContact CD1-CD2 3.84Å; L2572-L3060 HydrophobicContact CD1-CG 4.23Å
2573	E	31.9	Very low	30.1	Very low	123.4 Å²	123.4	131.7 Å²	131.7	58%	0.577	72%	0.721	S	S	*	*				115.8	113.1	106.7	-95.7	155.3	-160.7	0	0	114.1	K2360 T2575 E2872 P2873 E2874 V2875	K2360-E2573 WeakPolarHBondContact CE-OE1 3.26Å; K2360-E2573 WeakPolarHBondContact CE-OE2 3.29Å; K2360-E2573 IonicContact NZ-OE1 2.7Å; K2360-E2573 PolarHBondContact NZ-OE1 3.27Å; K2360-E2573 IonicContact NZ-OE2 2.76Å; K2360-E2573 PolarHBondContact NZ-OE2 2.94Å; E2573-T2575 PolarHBondContact O-N 2.63Å; E2573-T2575 VanDerWaalsContact O-N 3.17Å; E2573-E2872 PolarHBondContact N-OE2 3.14Å; E2573-P2873 VanDerWaalsContact CA-CB 3.45Å; E2573-P2873 HydrophobicContact CB-CB 3.58Å; E2573-P2873 HydrophobicContact CB-CG 3.85Å; E2573-P2873 HydrophobicContact CG-CB 4.07Å; E2573-P2873 HydrophobicContact CG-CG 3.79Å; E2573-P2873 WeakPolarHBondContact OE1-CA 3.23Å; E2573-P2873 WeakPolarHBondContact OE1-CB 3.09Å; E2573-P2873 WeakPolarHBondContact OE1-CD 3.09Å; E2573-P2873 WeakPolarHBondContact OE1-CG 3.31Å; E2573-P2873 VanDerWaalsContact OE1-O 3.06Å; E2573-E2874 WeakPolarHBondContact OE1-CA 2.93Å; E2573-E2874 WeakPolarHBondContact OE1-CG 2.89Å; E2573-E2874 PolarHBondContact OE1-N 3.4Å; E2573-V2875 HydrophobicContact CB-CB 4.45Å; E2573-V2875 HydrophobicContact CB-CG1 4.01Å; E2573-V2875 HydrophobicContact CB-CG2 4.26Å
2574	L	30.4	Very low	30	Very low	140.4 Å²	140.4	125.5 Å²	125.5	74%	0.735	71%	0.714	S	S	*	*			trans	-143.9	128.1	144.1	-70.8	174.9	0	0	0	113.7	K2360 D2576	K2360-L2574 HydrophobicContact CD-CD1 4.07Å; K2360-L2574 HydrophobicContact CG-CD1 4.27Å; L2574-D2576 PolarHBondContact O-N 3.13Å; L2574-D2576 VanDerWaalsContact O-N 3.09Å
2575	T	32.2	Very low	30	Very low	101.8 Å²	101.8	130 Å²	130	63%	0.625	72%	0.723	S	S	*	*			trans	25.7	120.5	158.2	-40.5	0	0	0	0	116.2	E2573	E2573-T2575 PolarHBondContact O-N 2.63Å; E2573-T2575 VanDerWaalsContact O-N 3.17Å
2576	D	29	Very low	29.9	Very low	144 Å²	144	128.4 Å²	128.4	77%	0.77	72%	0.717	S	S	*	*				58.9	124.4	125.3	-78.4	-32	0	0	0	117.1	L2574	L2574-D2576 PolarHBondContact O-N 3.13Å; L2574-D2576 VanDerWaalsContact O-N 3.09Å
2577	S	27.6	Very low	29.8	Very low	100.6 Å²	100.6	130.7 Å²	130.7	70%	0.703	72%	0.72	S	S	*	*			trans	118.2	127.9	141.8	74	0	0	0	0	116.9
2578	C	31.9	Very low	29.6	Very low	111 Å²	111	131.4 Å²	131.4	75%	0.75	72%	0.718	S	S	*	*			trans	54	110.8	152.1	-73.3	0	0	0	0	117.2
2579	Q	29.3	Very low	30	Very low	163.8 Å²	163.8	134.1 Å²	134.1	77%	0.765	72%	0.722	S	S	*	*				-160.6	140.3	111.2	-65.6	-70.9	-45.9	0	0	113.1
2580	P	32.4	Very low	30.4	Very low	100.6 Å²	100.6	136.6 Å²	136.6	65%	0.653	72%	0.721	S	S	*	*			cis	-120.8	162.2	-7.4	26.3	-7.5	0	0	0	114.2
2581	Y	30.5	Very low	30.6	Very low	200.6 Å²	200.6	141.6 Å²	141.6	79%	0.787	73%	0.727	S	S	*	*			trans	100.8	125.5	151.1	-105.5	-104.2	0	0	0	117	A2584 Y2586 D2881	Y2581-A2584 HydrophobicContact CD1-CB 4.39Å; Y2581-A2584 HydrophobicContact CE1-CB 3.8Å; Y2581-A2584 HydrophobicContact CE2-CB 4.28Å; Y2581-Y2586 HydrophobicContact CD2-CE2 4.33Å; Y2581-Y2586 HydrophobicContact CE2-CE2 4.07Å; Y2581-D2881 WeakPolarHBondContact CE2-OD2 3.4Å; Y2581-D2881 PolarHBondContact OH-OD2 3.13Å
2582	R	28.5	Very low	30.8	Very low	231 Å²	231	142.1 Å²	142.1	87%	0.872	73%	0.73	S	S	*	*			trans	-131.4	131.6	158.6	-113.7	-163.5	-171.5	-158.2	2.3	111.9	A2584	R2582-A2584 PolarHBondContact O-N 3.24Å
2583	S	29.9	Very low	31	Very low	97.2 Å²	97.2	143.4 Å²	143.4	68%	0.68	74%	0.742	S	S	*	*			trans	-101.6	138.9	138.8	50.7	0	0	0	0	112.4	F2585	S2583-F2585 PolarHBondContact O-N 3.33Å
2584	A	32.1	Very low	30.9	Very low	77.8 Å²	77.8	140.7 Å²	140.7	64%	0.643	75%	0.747	S	S	*	*			trans	-75	136.3	164.3	0	0	0	0	0	113.7	Y2581 R2582 Y2586	Y2581-A2584 HydrophobicContact CD1-CB 4.39Å; Y2581-A2584 HydrophobicContact CE1-CB 3.8Å; Y2581-A2584 HydrophobicContact CE2-CB 4.28Å; R2582-A2584 PolarHBondContact O-N 3.24Å; A2584-Y2586 HydrophobicContact CB-CD2 3.99Å; A2584-Y2586 HydrophobicContact CB-CE2 4.13Å
2585	F	28.7	Very low	30.9	Very low	190.4 Å²	190.4	142.1 Å²	142.1	84%	0.835	76%	0.755	S	S	*	*			trans	-104.8	138.2	132	-80.8	-87.3	0	0	0	112.6	S2583 I2587	S2583-F2585 PolarHBondContact O-N 3.33Å; F2585-I2587 PolarHBondContact O-N 2.78Å
2586	Y	28.6	Very low	31	Very low	183.2 Å²	183.2	141.4 Å²	141.4	72%	0.718	76%	0.76	S	S	*	*			trans	-118	119.1	166	-87.4	-90.5	0	0	0	110.7	Y2581 A2584 D2881 Y2884	Y2581-Y2586 HydrophobicContact CD2-CE2 4.33Å; Y2581-Y2586 HydrophobicContact CE2-CE2 4.07Å; A2584-Y2586 HydrophobicContact CB-CD2 3.99Å; A2584-Y2586 HydrophobicContact CB-CE2 4.13Å; Y2586-D2881 WeakPolarHBondContact CE1-OD1 3.23Å; Y2586-D2881 VanDerWaalsContact CE2-OD2 3.23Å; Y2586-D2881 WeakPolarHBondContact CE2-OD2 3.37Å; Y2586-D2881 PolarHBondContact OH-O 3.22Å; Y2586-D2881 PolarHBondContact OH-OD1 2.77Å; Y2586-D2881 PolarHBondContact OH-OD2 3.34Å; Y2586-Y2884 AromaticContact CD1-CD2 3.21Å; Y2586-Y2884 HydrophobicContact CD1-CD2 3.21Å; Y2586-Y2884 AromaticContact CD1-CE2 3.67Å; Y2586-Y2884 HydrophobicContact CD1-CE2 3.67Å; Y2586-Y2884 AromaticContact CD1-CG 3.88Å; Y2586-Y2884 HydrophobicContact CD1-CG 3.88Å; Y2586-Y2884 AromaticContact CD2-CD2 3.71Å; Y2586-Y2884 HydrophobicContact CD2-CD2 3.71Å; Y2586-Y2884 HydrophobicContact CD2-CE1 4.4Å; Y2586-Y2884 AromaticContact CD2-CE2 3.26Å; Y2586-Y2884 HydrophobicContact CD2-CE2 3.26Å; Y2586-Y2884 HydrophobicContact CD2-CG 4.41Å; Y2586-Y2884 AromaticContact CD2-CZ 3.6Å; Y2586-Y2884 AromaticContact CE1-CD2 3.35Å; Y2586-Y2884 HydrophobicContact CE1-CD2 3.35Å; Y2586-Y2884 AromaticContact CE1-CE2 3.57Å; Y2586-Y2884 HydrophobicContact CE1-CE2 3.57Å; Y2586-Y2884 HydrophobicContact CE1-CG 4.41Å; Y2586-Y2884 AromaticContact CE2-CD2 3.89Å; Y2586-Y2884 HydrophobicContact CE2-CD2 3.89Å; Y2586-Y2884 AromaticContact CE2-CE2 3.23Å; Y2586-Y2884 HydrophobicContact CE2-CE2 3.23Å; Y2586-Y2884 AromaticContact CE2-CZ 3.84Å; Y2586-Y2884 HydrophobicContact CG-CD1 4.4Å; Y2586-Y2884 AromaticContact CG-CD2 3.32Å; Y2586-Y2884 HydrophobicContact CG-CD2 3.32Å; Y2586-Y2884 HydrophobicContact CG-CE1 4.46Å; Y2586-Y2884 AromaticContact CG-CE2 3.45Å; Y2586-Y2884 HydrophobicContact CG-CE2 3.45Å; Y2586-Y2884 VanDerWaalsContact CG-CE2 3.45Å; Y2586-Y2884 AromaticContact CG-CG 3.79Å; Y2586-Y2884 HydrophobicContact CG-CG 3.79Å; Y2586-Y2884 AromaticContact CG-CZ 3.98Å; Y2586-Y2884 AromaticContact CZ-CD2 3.66Å; Y2586-Y2884 AromaticContact CZ-CE2 3.33Å
2587	I	29.6	Very low	31.1	Very low	144.4 Å²	144.4	140 Å²	140	74%	0.741	76%	0.756	S	S	*	*			trans	-146.5	117.7	142.6	-67.9	173.1	0	0	0	109.2	F2585 T2886	F2585-I2587 PolarHBondContact O-N 2.78Å; I2587-T2886 HydrophobicContact CG1-CG2 4.05Å; I2587-T2886 WeakPolarHBondContact CG2-OG1 3.34Å
2588	L	30.1	Very low	31.6	Very low	145.4 Å²	145.4	141.9 Å²	141.9	76%	0.761	76%	0.758	S	S	*	*			trans	179.7	136.7	166.3	-154.9	89.9	0	0	0	111.6	S2885 T2886	L2588-S2885 WeakPolarHBondContact CA-OG 3.38Å; L2588-S2885 VanDerWaalsContact CB-CB 3.42Å; L2588-S2885 WeakPolarHBondContact CB-OG 3.46Å; L2588-S2885 VanDerWaalsContact CD1-CB 3.45Å; L2588-S2885 PolarHBondContact N-OG 3.37Å; L2588-S2885 VanDerWaalsContact N-OG 3.12Å; L2588-T2886 VanDerWaalsContact CA-OG1 3.25Å; L2588-T2886 WeakPolarHBondContact CA-OG1 3.23Å; L2588-T2886 WeakPolarHBondContact CB-OG1 3.44Å; L2588-T2886 VanDerWaalsContact CD2-CB 3.43Å; L2588-T2886 HydrophobicContact CD2-CG2 4.36Å; L2588-T2886 WeakPolarHBondContact CD2-OG1 3.16Å; L2588-T2886 WeakPolarHBondContact CG-OG1 3.38Å; L2588-T2886 VanDerWaalsContact N-N 3.14Å; L2588-T2886 PolarHBondContact N-OG1 3.48Å
2589	E	35.8	Very low	31.7	Very low	162.4 Å²	162.4	143 Å²	143	76%	0.759	75%	0.754	S	S	*	*			trans	53.4	127.5	165	-103.2	166.2	163.8	0	0	115.5	S2885	E2589-S2885 PolarHBondContact N-OG 2.91Å
2590	Q	33.1	Very low	32.2	Very low	165 Å²	165	141.4 Å²	141.4	77%	0.771	75%	0.751	S	S	*	*			trans	70.5	136.6	144.4	-57.9	-135.1	95.6	0	0	116.5
2591	Q	35.1	Very low	32.6	Very low	170.2 Å²	170.2	144.6 Å²	144.6	80%	0.795	76%	0.757	S	S	*	*			trans	51.4	128.5	140	-78.2	171.6	-23.9	0	0	115.3	V2593	Q2591-V2593 HydrophobicContact CG-CG2 4.49Å; Q2591-V2593 PolarHBondContact O-N 2.65Å
2592	C	31.7	Very low	33	Very low	120.2 Å²	120.2	141.3 Å²	141.3	81%	0.812	75%	0.752	S	S	*	*			trans	-122.4	132.3	136.1	-74.9	0	0	0	0	110.4
2593	V	33.1	Very low	33.3	Very low	137.6 Å²	137.6	137 Å²	137	83%	0.834	74%	0.741	S	S	*	*				164.8	134.1	116.3	175.8	0	0	0	0	109.6	Q2591	Q2591-V2593 HydrophobicContact CG-CG2 4.49Å; Q2591-V2593 PolarHBondContact O-N 2.65Å
2594	G	29.6	Very low	33.7	Very low	66.6 Å²	66.6	138.4 Å²	138.4	69%	0.687	74%	0.735	S	S	*	*				152.5	81.3	71.8	0	0	0	0	0	115	A2596	G2594-A2596 PolarHBondContact O-N 2.89Å
2595	L	30.6	Very low	33.7	Very low	170 Å²	170	142.7 Å²	142.7	89%	0.89	74%	0.736	S	S	*	*			trans	-68.4	131.5	154.9	-68.1	171.6	0	0	0	115.4
2596	A	33.4	Very low	34	Very low	88 Å²	88	140.5 Å²	140.5	73%	0.727	73%	0.728	S	S	*	*				52.7	120.3	124.5	0	0	0	0	0	117.4	G2594 E2739	G2594-A2596 PolarHBondContact O-N 2.89Å; A2596-E2739 WeakPolarHBondContact CB-OE1 3.02Å
2597	V	32.6	Very low	34.3	Very low	114.6 Å²	114.6	138.6 Å²	138.6	70%	0.695	73%	0.726	S	S	*	*			trans	-145.6	123.2	156.8	157.5	0	0	0	0	109.3	M2599 L2738 E2739	V2597-M2599 HydrophobicContact CG1-CG 4.36Å; V2597-M2599 PolarHBondContact O-N 3.43Å; V2597-L2738 HydrophobicContact CB-CD2 3.9Å; V2597-L2738 HydrophobicContact CG1-CD2 3.51Å; V2597-E2739 HydrophobicContact CB-CG 4.42Å; V2597-E2739 HydrophobicContact CG2-CG 4.47Å
2598	D	36.4	Very low	34.7	Very low	139.6 Å²	139.6	137.7 Å²	137.7	75%	0.747	73%	0.727	S	S	*	*			trans	-80.1	124.5	153.1	-75.3	-29.8	0	0	0	112.8	D2600	D2598-D2600 PolarHBondContact O-N 3.14Å
2599	M	34.5	Very low	35	Very low	133.8 Å²	133.8	137.9 Å²	137.9	66%	0.659	72%	0.724	S	S	*	*			trans	59.3	101.6	134.3	-75.4	-169.7	68	0	0	114.9	V2597 E2601 I2602 L2738	V2597-M2599 HydrophobicContact CG1-CG 4.36Å; V2597-M2599 PolarHBondContact O-N 3.43Å; M2599-E2601 VanDerWaalsContact C-N 3.29Å; M2599-E2601 HydrophobicContact CE-CB 4.07Å; M2599-E2601 WeakPolarHBondContact CE-OE2 3.35Å; M2599-E2601 PolarHBondContact O-N 3.4Å; M2599-I2602 HydrophobicContact CB-CD1 4.3Å; M2599-I2602 HydrophobicContact CE-CD1 3.91Å; M2599-L2738 HydrophobicContact CB-CD2 4.29Å; M2599-L2738 HydrophobicContact CG-CD2 4.14Å; M2599-L2738 VanDerWaalsContact SD-CA 3.57Å; M2599-L2738 HydrophobicContact SD-CD2 4.29Å; M2599-L2738 HydrophobicContact SD-CG 4.44Å
2600	D	39.2	Very low	35.2	Very low	131.6 Å²	131.6	138.3 Å²	138.3	70%	0.704	73%	0.726	S	S	*	*			trans	-66.4	137.3	145.6	-75.7	-43.2	0	0	0	113.4	D2598	D2598-D2600 PolarHBondContact O-N 3.14Å
2601	E	41.7	Very low	35.2	Very low	166.6 Å²	166.6	136.5 Å²	136.5	78%	0.779	72%	0.722	S	S	*	*			trans	-179.4	101.1	136.4	-103.7	-175.1	-174.8	0	0	115.7	M2599 F2735	M2599-E2601 VanDerWaalsContact C-N 3.29Å; M2599-E2601 HydrophobicContact CE-CB 4.07Å; M2599-E2601 WeakPolarHBondContact CE-OE2 3.35Å; M2599-E2601 PolarHBondContact O-N 3.4Å; E2601-F2735 WeakPolarHBondContact O-CD1 3.17Å; E2601-F2735 WeakPolarHBondContact O-CE1 3.39Å
2602	I	38.1	Very low	35.2	Very low	132.6 Å²	132.6	135.2 Å²	135.2	68%	0.68	72%	0.715	S	S	*	*			trans	-87.2	95.2	146.8	-13.3	-178.7	0	0	0	113.9	M2599 F2735 Y2736	M2599-I2602 HydrophobicContact CB-CD1 4.3Å; M2599-I2602 HydrophobicContact CE-CD1 3.91Å; I2602-F2735 HydrophobicContact CB-CB 3.77Å; I2602-F2735 HydrophobicContact CB-CD1 3.93Å; I2602-F2735 HydrophobicContact CB-CD2 4.3Å; I2602-F2735 HydrophobicContact CB-CG 3.73Å; I2602-F2735 HydrophobicContact CD1-CB 3.96Å; I2602-F2735 HydrophobicContact CG1-CB 3.62Å; I2602-F2735 HydrophobicContact CG1-CD1 3.61Å; I2602-F2735 HydrophobicContact CG1-CE1 4.49Å; I2602-F2735 HydrophobicContact CG1-CG 3.76Å; I2602-F2735 HydrophobicContact CG2-CB 3.14Å; I2602-F2735 HydrophobicContact CG2-CD1 4.17Å; I2602-F2735 HydrophobicContact CG2-CD2 3.78Å; I2602-F2735 HydrophobicContact CG2-CG 3.43Å; I2602-F2735 VanDerWaalsContact CG2-CG 3.43Å; I2602-Y2736 HydrophobicContact CB-CD1 4.19Å; I2602-Y2736 HydrophobicContact CD1-CD1 4.23Å; I2602-Y2736 HydrophobicContact CG2-CD1 3.23Å; I2602-Y2736 HydrophobicContact CG2-CE1 4Å; I2602-Y2736 HydrophobicContact CG2-CG 3.78Å
2603	E	35.9	Very low	35.3	Very low	139.2 Å²	139.2	135.4 Å²	135.4	65%	0.65	71%	0.709	S	S	*	*			trans	-116.5	154.8	134.9	-87.5	-161.2	150.7	0	0	110.9	Y2396 F2735	Y2396-E2603 PolarHBondContact N-OE1 2.8Å; E2603-F2735 VanDerWaalsContact O-CD2 3.29Å; E2603-F2735 WeakPolarHBondContact O-CD2 3.26Å; E2603-F2735 WeakPolarHBondContact O-CE2 3.16Å
2604	K	37	Very low	35.4	Very low	127 Å²	127	133.7 Å²	133.7	55%	0.552	70%	0.7	S	S	*	*			trans	70.4	131.4	158.7	-114.2	-172	-170.6	146.4	0	115.4
2605	Y	32.8	Very low	35.5	Very low	168.6 Å²	168.6	135.1 Å²	135.1	66%	0.661	70%	0.7	S	S	*	*				-165.5	129	114.7	-75.8	-66.8	0	0	0	112.3	E2607 R3106	Y2605-E2607 VanDerWaalsContact C-N 3.27Å; Y2605-E2607 HydrophobicContact CD1-CB 4.29Å; Y2605-E2607 HydrophobicContact CD1-CG 3.92Å; Y2605-E2607 VanDerWaalsContact CD1-CG 3.48Å; Y2605-E2607 WeakPolarHBondContact CD1-OE1 3.29Å; Y2605-E2607 WeakPolarHBondContact CD1-OE2 3.29Å; Y2605-E2607 VanDerWaalsContact CE1-CD 3.45Å; Y2605-E2607 HydrophobicContact CE1-CG 4.28Å; Y2605-E2607 WeakPolarHBondContact CE1-OE1 3.49Å; Y2605-E2607 HydrophobicContact CG-CG 4.11Å; Y2605-R3106 PolarHBondContact OH-NH1 3.05Å; Y2605-R3106 PolarHBondContact OH-NH2 2.78Å
2606	Q	34.7	Very low	35.4	Very low	144.4 Å²	144.4	132.8 Å²	132.8	68%	0.675	70%	0.696	S	S	*	*				-107.8	122.6	117.9	-167	173.8	11.6	0	0	111.4	Y3093	Q2606-Y3093 VanDerWaalsContact C-CE1 3.41Å; Q2606-Y3093 WeakPolarHBondContact CA-OH 3.15Å; Q2606-Y3093 HydrophobicContact CB-CE1 3.84Å; Q2606-Y3093 HydrophobicContact CB-CE2 3.81Å; Q2606-Y3093 VanDerWaalsContact CB-CZ 3.44Å; Q2606-Y3093 HydrophobicContact CG-CD2 4.4Å; Q2606-Y3093 HydrophobicContact CG-CE1 4.4Å; Q2606-Y3093 HydrophobicContact CG-CE2 3.48Å; Q2606-Y3093 VanDerWaalsContact CG-CE2 3.48Å; Q2606-Y3093 WeakPolarHBondContact CG-OH 3.05Å
2607	E	34.6	Very low	35.6	Very low	142.4 Å²	142.4	133.8 Å²	133.8	67%	0.665	70%	0.695	S	S	*	*			trans	35.1	131.2	149.3	-75.7	159.9	-179.7	0	0	115.1	Y2605 Y3093	Y2605-E2607 VanDerWaalsContact C-N 3.27Å; Y2605-E2607 HydrophobicContact CD1-CB 4.29Å; Y2605-E2607 HydrophobicContact CD1-CG 3.92Å; Y2605-E2607 VanDerWaalsContact CD1-CG 3.48Å; Y2605-E2607 WeakPolarHBondContact CD1-OE1 3.29Å; Y2605-E2607 WeakPolarHBondContact CD1-OE2 3.29Å; Y2605-E2607 VanDerWaalsContact CE1-CD 3.45Å; Y2605-E2607 HydrophobicContact CE1-CG 4.28Å; Y2605-E2607 WeakPolarHBondContact CE1-OE1 3.49Å; Y2605-E2607 HydrophobicContact CG-CG 4.11Å; E2607-Y3093 WeakPolarHBondContact O-CE1 3.41Å; E2607-Y3093 PolarHBondContact O-OH 2.83Å
2608	V	38.1	Very low	35.5	Very low	125.6 Å²	125.6	139.1 Å²	139.1	76%	0.761	70%	0.703	S	S	*	*			trans	-147.5	126.1	145.8	-179.7	0	0	0	0	110.8	E2610 E3095	V2608-E2610 PolarHBondContact O-N 3.13Å; V2608-E3095 WeakPolarHBondContact CA-OE1 3.49Å; V2608-E3095 PolarHBondContact N-OE1 3.48Å
2609	E	37.4	Very low	35.3	Very low	150.6 Å²	150.6	139.5 Å²	139.5	70%	0.704	70%	0.704	S	S	*	*			trans	-62.8	138.2	143.9	-113	173	165.9	0	0	111.2	D2611 Q3094 E3095	E2609-D2611 HydrophobicContact CB-CB 4Å; E2609-D2611 PolarHBondContact O-N 3.05Å; E2609-Q3094 PolarHBondContact OE2-NE2 2.94Å; E2609-E3095 HydrophobicContact CB-CB 4.36Å; E2609-E3095 PolarHBondContact N-OE1 2.67Å; E2609-E3095 WeakPolarHBondContact O-CB 3.45Å
2610	E	39.6	Very low	35.2	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	71%	0.708	S	S	*	*			trans	-94.1	101.3	158.4	-123.4	176.6	-169.3	0	0	113	V2608 Q2612	V2608-E2610 PolarHBondContact O-N 3.13Å; E2610-Q2612 PolarHBondContact O-N 3.16Å
2611	D	33.8	Very low	35.2	Very low	126.8 Å²	126.8	142 Å²	142	68%	0.678	71%	0.713	S	S	*	*				-149.5	122.5	125.5	-145.3	18.9	0	0	0	108.9	E2609	E2609-D2611 HydrophobicContact CB-CB 4Å; E2609-D2611 PolarHBondContact O-N 3.05Å
2612	Q	34.8	Very low	34.9	Very low	142.2 Å²	142.2	141.3 Å²	141.3	66%	0.664	71%	0.709	S	S	*	*			trans	-170	124.7	154.4	-63.1	-157.5	7.3	0	0	113.2	E2610	E2610-Q2612 PolarHBondContact O-N 3.16Å
2613	D	32.6	Very low	34.7	Very low	125.2 Å²	125.2	142.9 Å²	142.9	67%	0.67	72%	0.718	S	S	*	*			trans	-29.7	143.6	133.1	-126.6	-1	0	0	0	113.9	S2615	D2613-S2615 PolarHBondContact O-N 2.88Å; D2613-S2615 PolarHBondContact OD1-N 2.72Å; D2613-S2615 WeakPolarHBondContact OD2-CB 3.2Å; D2613-S2615 PolarHBondContact OD2-OG 3.18Å
2614	P	35.4	Very low	34.8	Very low	100.4 Å²	100.4	143.4 Å²	143.4	65%	0.652	73%	0.725	S	S	*	*			trans	-107.6	134.5	-176.7	32	-25.1	0	0	0	113.6
2615	S	32.6	Very low	34.8	Very low	97.2 Å²	97.2	143.8 Å²	143.8	68%	0.68	73%	0.733	S	S	*	*			trans	-166.5	103.2	153.7	6.3	0	0	0	0	113.7	D2613 P2617	D2613-S2615 PolarHBondContact O-N 2.88Å; D2613-S2615 PolarHBondContact OD1-N 2.72Å; D2613-S2615 WeakPolarHBondContact OD2-CB 3.2Å; D2613-S2615 PolarHBondContact OD2-OG 3.18Å; S2615-P2617 WeakPolarHBondContact O-CA 3.49Å
2616	C	27.7	Very low	35	Very low	120.8 Å²	120.8	143.6 Å²	143.6	82%	0.816	74%	0.738	S	S	*	*			trans	-19.4	148.5	147.3	-79.2	0	0	0	0	114.8
2617	P	37.4	Very low	35.2	Very low	109.4 Å²	109.4	143.7 Å²	143.7	71%	0.71	74%	0.736	S	S	*	*				-123.4	151.6	-126.4	26.6	-14.5	0	0	0	116.1	S2615	S2615-P2617 WeakPolarHBondContact O-CA 3.49Å
2618	R	31.6	Very low	35.1	Very low	225.6 Å²	225.6	144.5 Å²	144.5	85%	0.851	74%	0.74	S	S	*	*			trans	-172.8	122.1	152.5	-74.9	-177.2	167.1	176	-3.2	113.2
2619	L	31.5	Very low	35	Very low	148.4 Å²	148.4	143 Å²	143	78%	0.777	73%	0.733	S	S	*	*			trans	62.6	110.3	131.8	-60.1	-176.3	0	0	0	114.4
2620	S	32.7	Very low	35	Very low	106.2 Å²	106.2	144.5 Å²	144.5	74%	0.743	74%	0.74	S	S	*	*			trans	57.2	117.2	134.3	70.2	0	0	0	0	117.2
2621	R	38.6	Very low	34.9	Very low	211.8 Å²	211.8	142.3 Å²	142.3	80%	0.799	74%	0.738	S	S	*	*				-177.5	114.9	104.4	-172	175.4	178.6	161.5	3	112.7
2622	E	36.4	Very low	34.8	Very low	152 Å²	152	143 Å²	143	71%	0.71	74%	0.741	S	S	*	*				64.1	128.4	124.6	-81.2	160.3	175.8	0	0	117.2
2623	L	33.2	Very low	34.9	Very low	165.8 Å²	165.8	143.8 Å²	143.8	87%	0.868	75%	0.745	S	S	*	*			trans	138	142.3	169.6	-62	178.4	0	0	0	113.6
2624	L	37.5	Very low	34.9	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	74%	0.739	S	S	*	*			trans	-155.6	147.9	-176	-99.3	168.9	0	0	0	110.7	E2626	L2624-E2626 PolarHBondContact O-N 3.1Å
2625	D	36.9	Very low	34.9	Very low	135.2 Å²	135.2	141.6 Å²	141.6	72%	0.723	73%	0.733	S	S	*	*			trans	-113.7	155.5	164.9	-129.5	-1	0	0	0	114.3	K2627	D2625-K2627 VanDerWaalsContact OD1-CE 3.3Å; D2625-K2627 WeakPolarHBondContact OD1-CE 3.45Å; D2625-K2627 IonicContact OD1-NZ 2.84Å; D2625-K2627 PolarHBondContact OD1-NZ 3.2Å; D2625-K2627 WeakPolarHBondContact OD2-CE 3.34Å; D2625-K2627 IonicContact OD2-NZ 3.28Å
2626	E	37.9	Very low	35.1	Very low	164.4 Å²	164.4	142.1 Å²	142.1	77%	0.768	73%	0.728	S	S	*	*			trans	-84.6	131.5	171.6	-74.9	-164.6	159.5	0	0	113.3	L2624	L2624-E2626 PolarHBondContact O-N 3.1Å
2627	K	38	Very low	35.5	Very low	147.4 Å²	147.4	140.8 Å²	140.8	64%	0.641	71%	0.713	S	S	*	*				96.4	109.2	115.6	-85.7	-72.8	-175.9	-153.6	0	115.4	D2625	D2625-K2627 VanDerWaalsContact OD1-CE 3.3Å; D2625-K2627 WeakPolarHBondContact OD1-CE 3.45Å; D2625-K2627 IonicContact OD1-NZ 2.84Å; D2625-K2627 PolarHBondContact OD1-NZ 3.2Å; D2625-K2627 WeakPolarHBondContact OD2-CE 3.34Å; D2625-K2627 IonicContact OD2-NZ 3.28Å
2628	E	32.7	Very low	35.5	Very low	158.2 Å²	158.2	144.4 Å²	144.4	74%	0.739	71%	0.713	S	S	*	*				71.4	157.9	116.4	-85.1	177.6	171.4	0	0	117.4
2629	P	37.4	Very low	35.5	Very low	95.4 Å²	95.4	138.9 Å²	138.9	62%	0.619	71%	0.707	S	S	*	*				-128.4	-171	-70.1	37.2	-20.2	0	0	0	113.4	V2631 L2632 Q2633	P2629-V2631 HydrophobicContact CG-CG1 3.99Å; P2629-V2631 HydrophobicContact CG-CG2 4.12Å; P2629-V2631 PolarHBondContact O-N 3.12Å; P2629-L2632 VanDerWaalsContact CB-O 3.3Å; P2629-L2632 WeakPolarHBondContact CB-O 3.2Å; P2629-L2632 WeakPolarHBondContact CG-O 3.12Å; P2629-Q2633 WeakPolarHBondContact CG-O 3.13Å
2630	E	36	Very low	35.6	Very low	180.2 Å²	180.2	141.9 Å²	141.9	84%	0.842	71%	0.71	S	S	*	*			trans	-161.5	94.4	154.2	-79.1	-172.4	-174.7	0	0	114.7
2631	V	37	Very low	35.7	Very low	126.2 Å²	126.2	141.6 Å²	141.6	77%	0.765	71%	0.708	S	S	*	*			trans	-110	116.5	142.3	-103	0	0	0	0	111.9	P2629 Q2633	P2629-V2631 HydrophobicContact CG-CG1 3.99Å; P2629-V2631 HydrophobicContact CG-CG2 4.12Å; P2629-V2631 PolarHBondContact O-N 3.12Å; V2631-Q2633 PolarHBondContact O-N 3.05Å
2632	L	32.3	Very low	35.5	Very low	141.6 Å²	141.6	137.3 Å²	137.3	74%	0.741	71%	0.705	S	S	*	*				-58.5	106	124.4	-128.4	168.1	0	0	0	111.5	P2629 D2634	P2629-L2632 VanDerWaalsContact CB-O 3.3Å; P2629-L2632 WeakPolarHBondContact CB-O 3.2Å; P2629-L2632 WeakPolarHBondContact CG-O 3.12Å; L2632-D2634 HydrophobicContact CD2-CB 3.91Å
2633	Q	37.7	Very low	35.4	Very low	158.2 Å²	158.2	135.1 Å²	135.1	74%	0.739	70%	0.704	S	S	*	*			trans	-147	107	153.7	-86.6	169.9	34.9	0	0	116.3	P2629 V2631 S2635	P2629-Q2633 WeakPolarHBondContact CG-O 3.13Å; V2631-Q2633 PolarHBondContact O-N 3.05Å; Q2633-S2635 PolarHBondContact O-N 3.24Å
2634	D	33.2	Very low	35.4	Very low	102.8 Å²	102.8	132.3 Å²	132.3	55%	0.55	70%	0.698	S	S	.	*				-105.1	112.1	123.3	-115.6	-16.9	0	0	0	113.5	L2632 L2636 S3132 G3133 Y3134	L2632-D2634 HydrophobicContact CD2-CB 3.91Å; D2634-L2636 VanDerWaalsContact CA-N 3.34Å; D2634-L2636 VanDerWaalsContact OD1-CB 3.26Å; D2634-L2636 WeakPolarHBondContact OD1-CB 2.84Å; D2634-L2636 WeakPolarHBondContact OD1-CD1 2.97Å; D2634-L2636 WeakPolarHBondContact OD1-CG 3.44Å; D2634-L2636 PolarHBondContact OD1-N 3.4Å; D2634-S3132 CarbonylContact O-C 2.71Å; D2634-S3132 VanDerWaalsContact O-C 3.25Å; D2634-S3132 WeakPolarHBondContact O-CB 2.8Å; D2634-S3132 PolarHBondContact O-OG 3.09Å; D2634-S3132 VanDerWaalsContact O-OG 3.07Å; D2634-G3133 CarbonylContact O-C 3.55Å; D2634-G3133 WeakPolarHBondContact O-CA 3.09Å; D2634-G3133 PolarHBondContact O-N 3.02Å; D2634-Y3134 HydrophobicContact CB-CD2 3.54Å; D2634-Y3134 HydrophobicContact CB-CE2 4.1Å; D2634-Y3134 HydrophobicContact CB-CG 4.09Å; D2634-Y3134 WeakPolarHBondContact OD2-CE2 3.38Å
2635	S	34.4	Very low	35	Very low	76.2 Å²	76.2	128.1 Å²	128.1	53%	0.533	69%	0.691	S	S	.	*			trans	-87.3	131.2	145.6	51.1	0	0	0	0	116.2	Q2633 G3133 Y3134	Q2633-S2635 PolarHBondContact O-N 3.24Å; S2635-G3133 VanDerWaalsContact O-CA 3.24Å; S2635-G3133 WeakPolarHBondContact O-CA 3.12Å; S2635-G3133 PolarHBondContact O-N 3.36Å; S2635-Y3134 WeakPolarHBondContact O-CA 3.47Å; S2635-Y3134 WeakPolarHBondContact O-CB 3.15Å; S2635-Y3134 WeakPolarHBondContact O-CD1 3.38Å
2636	L	36.3	Very low	34.7	Very low	107.4 Å²	107.4	131.8 Å²	131.8	56%	0.562	70%	0.696	S	S	*	*			trans	25.2	131.9	141.5	-44.7	164.8	0	0	0	115.9	D2634 R2638 Y3134	D2634-L2636 VanDerWaalsContact CA-N 3.34Å; D2634-L2636 VanDerWaalsContact OD1-CB 3.26Å; D2634-L2636 WeakPolarHBondContact OD1-CB 2.84Å; D2634-L2636 WeakPolarHBondContact OD1-CD1 2.97Å; D2634-L2636 WeakPolarHBondContact OD1-CG 3.44Å; D2634-L2636 PolarHBondContact OD1-N 3.4Å; L2636-R2638 PolarHBondContact O-N 3.5Å; L2636-Y3134 HydrophobicContact CB-CD1 4.2Å; L2636-Y3134 HydrophobicContact CB-CE1 4.2Å; L2636-Y3134 HydrophobicContact CD1-CE1 4.44Å; L2636-Y3134 WeakPolarHBondContact O-CA 3.41Å
2637	D	36	Very low	34.4	Very low	95.4 Å²	95.4	130 Å²	130	51%	0.51	69%	0.692	S	S	.	*				72.8	126.3	56.3	-136.1	-0.6	0	0	0	115.2	C2639	D2637-C2639 PolarHBondContact OD1-N 2.95Å; D2637-C2639 PolarHBondContact OD1-SG 3.22Å
2638	R	38	Very low	34.1	Very low	184.6 Å²	184.6	130.4 Å²	130.4	70%	0.697	70%	0.696	S	S	*	*			trans	-28.7	110	149.6	-127.2	165.7	-127.7	-156.5	-9.5	115.5	L2636 Y2640	L2636-R2638 PolarHBondContact O-N 3.5Å; R2638-Y2640 HydrophobicContact CG-CD2 3.95Å; R2638-Y2640 HydrophobicContact CG-CE2 4.16Å; R2638-Y2640 PolarHBondContact NH1-OH 3.04Å; R2638-Y2640 PolarHBondContact O-N 3.13Å
2639	C	31.1	Very low	34.4	Very low	109.6 Å²	109.6	130.2 Å²	130.2	74%	0.741	70%	0.699	S	S	*	*			trans	-76.5	119.8	138.6	-56.5	0	0	0	0	113.4	D2637	D2637-C2639 PolarHBondContact OD1-N 2.95Å; D2637-C2639 PolarHBondContact OD1-SG 3.22Å
2640	Y	34.5	Very low	34.3	Very low	210.8 Å²	210.8	131.1 Å²	131.1	83%	0.827	71%	0.705	S	S	*	*			trans	-119.4	126.6	153.4	-79.3	-75.1	0	0	0	110	R2638	R2638-Y2640 HydrophobicContact CG-CD2 3.95Å; R2638-Y2640 HydrophobicContact CG-CE2 4.16Å; R2638-Y2640 PolarHBondContact NH1-OH 3.04Å; R2638-Y2640 PolarHBondContact O-N 3.13Å
2641	S	34	Very low	34.2	Very low	101.2 Å²	101.2	129.7 Å²	129.7	71%	0.708	70%	0.703	S	S	*	*			trans	-110.5	128.9	158.7	-61.5	0	0	0	0	114.3	P2643	S2641-P2643 WeakPolarHBondContact O-CD 3.21Å
2642	T	35.4	Very low	33.9	Very low	119.8 Å²	119.8	131.6 Å²	131.6	74%	0.735	71%	0.708	S	S	*	*			trans	-12.7	146.1	138.9	27.1	0	0	0	0	114.6	S2644 L3356	T2642-S2644 VanDerWaalsContact C-N 3.34Å; T2642-S2644 PolarHBondContact O-N 2.75Å; T2642-L3356 HydrophobicContact CG2-CD2 3.47Å; T2642-L3356 VanDerWaalsContact CG2-CD2 3.47Å; T2642-L3356 HydrophobicContact CG2-CG 4.01Å
2643	P	33.6	Very low	34	Very low	107.2 Å²	107.2	128 Å²	128	70%	0.696	71%	0.705	S	S	*	*				-126	151.6	105.2	22.7	-4.3	0	0	0	115.2	S2641 G2645 E3354 L3355	S2641-P2643 WeakPolarHBondContact O-CD 3.21Å; P2643-G2645 PolarHBondContact O-N 3.14Å; P2643-G2645 VanDerWaalsContact O-N 3.12Å; P2643-E3354 HydrophobicContact CB-CB 4.2Å; P2643-E3354 HydrophobicContact CB-CG 3.88Å; P2643-E3354 HydrophobicContact CG-CB 3.85Å; P2643-E3354 HydrophobicContact CG-CG 3.56Å; P2643-L3355 HydrophobicContact CB-CB 4.4Å; P2643-L3355 HydrophobicContact CB-CD1 3.83Å
2644	S	32.5	Very low	33.7	Very low	106.2 Å²	106.2	128.2 Å²	128.2	74%	0.743	71%	0.706	S	S	*	*			trans	125.6	132.4	156.4	63	0	0	0	0	112.8	T2642 Y2646 L3355	T2642-S2644 VanDerWaalsContact C-N 3.34Å; T2642-S2644 PolarHBondContact O-N 2.75Å; S2644-Y2646 WeakPolarHBondContact O-CD2 3.2Å; S2644-L3355 VanDerWaalsContact CB-CD1 3.42Å
2645	G	29.3	Very low	33.8	Very low	61.4 Å²	61.4	127.3 Å²	127.3	63%	0.633	71%	0.706	S	S	*	*			cis	119	118.7	-4.2	0	0	0	0	0	112.6	P2643	P2643-G2645 PolarHBondContact O-N 3.14Å; P2643-G2645 VanDerWaalsContact O-N 3.12Å
2646	Y	30.8	Very low	33.6	Very low	213.2 Å²	213.2	133.2 Å²	133.2	84%	0.836	72%	0.718	S	S	*	*				112.6	153.5	94.4	-85.5	-92.3	0	0	0	114.3	S2644	S2644-Y2646 WeakPolarHBondContact O-CD2 3.2Å
2647	L	31.3	Very low	33.4	Very low	127.6 Å²	127.6	132.8 Å²	132.8	67%	0.668	72%	0.724	S	S	*	*				79	131.8	129.1	-88.4	126.8	0	0	0	114.4
2648	E	31.7	Very low	33.2	Very low	154.6 Å²	154.6	132.8 Å²	132.8	72%	0.722	73%	0.731	S	S	*	*				-163.2	138.9	98	-96.9	165.5	156.2	0	0	114.9
2649	L	40.4	Very low	32.7	Very low	155.2 Å²	155.2	127.9 Å²	127.9	81%	0.813	73%	0.73	S	S	*	*			trans	-42.5	151.2	153.7	-72.1	165.5	0	0	0	114.5
2650	P	35.9	Very low	32.6	Very low	113.8 Å²	113.8	128.4 Å²	128.4	74%	0.739	73%	0.73	S	S	*	*			trans	-116.6	163.8	144.8	28	-16.3	0	0	0	114.3
2651	D	32	Very low	32.6	Very low	150.2 Å²	150.2	127.8 Å²	127.8	80%	0.803	73%	0.727	S	S	*	*			trans	-97.9	152.7	165.4	-105.4	-37.8	0	0	0	116
2652	L	31.9	Very low	32.6	Very low	167.6 Å²	167.6	127.9 Å²	127.9	88%	0.877	73%	0.728	S	S	*	*			trans	-164.1	113.4	169.4	-88.5	162.6	0	0	0	112.8	S2339	S2339-L2652 VanDerWaalsContact OG-C 3.24Å; S2339-L2652 WeakPolarHBondContact OG-CA 3.5Å; S2339-L2652 PolarHBondContact OG-N 2.8Å; S2339-L2652 VanDerWaalsContact OG-N 3.16Å
2653	G	33.3	Very low	32.5	Very low	65.4 Å²	65.4	128.9 Å²	128.9	67%	0.674	73%	0.728	S	S	*	*			trans	139.1	91.4	158.7	0	0	0	0	0	119.2	S2339 A2340 Y2342	S2339-G2653 PolarHBondContact OG-N 3.03Å; A2340-G2653 CarbonylContact C-O 3.18Å; A2340-G2653 WeakPolarHBondContact CA-O 3Å; A2340-G2653 PolarHBondContact N-O 2.78Å; Y2342-G2653 PolarHBondContact N-O 3.35Å
2654	Q	32.6	Very low	32.6	Very low	162.2 Å²	162.2	132 Å²	132	76%	0.758	73%	0.734	S	S	*	*			trans	-45.4	167.6	156.2	-71.4	-74.8	-2.8	0	0	112.4	R2338 F2341 Y2342	R2338-Q2654 VanDerWaalsContact C-NE2 3.31Å; R2338-Q2654 PolarHBondContact O-NE2 3.35Å; F2341-Q2654 VanDerWaalsContact C-C 3.41Å; Y2342-Q2654 WeakPolarHBondContact CB-O 3.26Å; Y2342-Q2654 WeakPolarHBondContact CD2-O 3.35Å; Y2342-Q2654 VanDerWaalsContact CG-O 3.26Å; Y2342-Q2654 VanDerWaalsContact N-C 3.32Å; Y2342-Q2654 PolarHBondContact N-O 3.1Å; Y2342-Q2654 VanDerWaalsContact N-O 3.11Å
2655	P	35.8	Very low	32.8	Very low	84.4 Å²	84.4	134.3 Å²	134.3	55%	0.548	73%	0.733	S	S	.	*			cis	-137.3	167.5	-5.5	36.2	-17.4	0	0	0	115.6	F2341 Y2342 Q2877	F2341-P2655 VanDerWaalsContact C-CD 3.48Å; F2341-P2655 PolarHBondContact N-O 3.36Å; F2341-P2655 CarbonylContact O-C 3.57Å; F2341-P2655 WeakPolarHBondContact O-CD 3.22Å; Y2342-P2655 HydrophobicContact CD1-CG 4.39Å; Y2342-P2655 HydrophobicContact CE1-CG 4.16Å; Y2342-P2655 HydrophobicContact CE2-CG 4.3Å; P2655-Q2877 WeakPolarHBondContact O-CA 3.26Å; P2655-Q2877 PolarHBondContact O-N 3.02Å
2656	Y	30.1	Very low	32.9	Very low	200 Å²	200	138.1 Å²	138.1	78%	0.784	73%	0.734	S	S	*	*			trans	-115.9	136.1	159.9	-90.8	-116.9	0	0	0	114	V2875 L2876 Q2877	Y2656-V2875 WeakPolarHBondContact OH-CA 3.39Å; Y2656-V2875 WeakPolarHBondContact OH-CG2 3.21Å; Y2656-L2876 HydrophobicContact CD1-CD2 3.53Å; Y2656-L2876 HydrophobicContact CD1-CG 4.07Å; Y2656-L2876 HydrophobicContact CE1-CD2 3.62Å; Y2656-L2876 HydrophobicContact CE1-CG 3.69Å; Y2656-L2876 HydrophobicContact CG-CD2 4.31Å; Y2656-Q2877 HydrophobicContact CD1-CB 4.17Å; Y2656-Q2877 HydrophobicContact CG-CB 3.84Å; Y2656-Q2877 HydrophobicContact CG-CG 4.32Å
2657	S	31.6	Very low	33	Very low	97.8 Å²	97.8	137.4 Å²	137.4	68%	0.684	73%	0.731	S	S	*	*				175	114	104.9	179.6	0	0	0	0	112.5
2658	S	30.8	Very low	33	Very low	95.6 Å²	95.6	137.9 Å²	137.9	67%	0.669	73%	0.733	S	S	*	*			trans	50.3	117.4	135.8	56.9	0	0	0	0	117
2659	A	28.9	Very low	33	Very low	82.2 Å²	82.2	133.2 Å²	133.2	68%	0.679	73%	0.726	S	S	*	*			trans	-128.3	135.3	163.8	0	0	0	0	0	109.9
2660	V	29	Very low	32.8	Very low	120.6 Å²	120.6	133.6 Å²	133.6	73%	0.731	73%	0.729	S	S	*	*			trans	53.2	111.5	156	-155.8	0	0	0	0	116.2
2661	Y	33.8	Very low	32.6	Very low	197.2 Å²	197.2	132 Å²	132	77%	0.773	73%	0.725	S	S	*	*				-144.1	142.4	127.7	-93.9	-74.1	0	0	0	111.5	L2663	Y2661-L2663 HydrophobicContact CD1-CD1 4.04Å; Y2661-L2663 HydrophobicContact CE1-CD1 4.15Å
2662	S	35.1	Very low	32.7	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	72%	0.724	S	S	*	*			trans	-167.1	127.2	149.9	-57.4	0	0	0	0	115
2663	L	32.3	Very low	32.9	Very low	140.4 Å²	140.4	131.1 Å²	131.1	74%	0.735	72%	0.72	S	S	*	*				107.3	114.1	120.3	-120.2	112	0	0	0	112.9	Y2661 E2665	Y2661-L2663 HydrophobicContact CD1-CD1 4.04Å; Y2661-L2663 HydrophobicContact CE1-CD1 4.15Å; L2663-E2665 VanDerWaalsContact CD2-CD 3.5Å; L2663-E2665 HydrophobicContact CD2-CG 3.89Å; L2663-E2665 HydrophobicContact CG-CG 4.35Å
2664	E	36.1	Very low	33.1	Very low	172.6 Å²	172.6	133.5 Å²	133.5	81%	0.807	72%	0.722	S	S	*	*				159.5	131.8	112.8	-89.6	169.7	-174.8	0	0	111.4
2665	E	37.1	Very low	33.2	Very low	154.6 Å²	154.6	131.4 Å²	131.4	72%	0.722	72%	0.716	S	S	*	*				178.8	145.1	106.8	-85.1	-171.9	177.9	0	0	115.7	L2663 Y3155	L2663-E2665 VanDerWaalsContact CD2-CD 3.5Å; L2663-E2665 HydrophobicContact CD2-CG 3.89Å; L2663-E2665 HydrophobicContact CG-CG 4.35Å; E2665-Y3155 VanDerWaalsContact C-OH 3.31Å; E2665-Y3155 PolarHBondContact O-OH 2.84Å
2666	Q	29.6	Very low	33.2	Very low	140.4 Å²	140.4	137.6 Å²	137.6	66%	0.656	73%	0.728	S	S	*	*			trans	97.3	112.1	169.2	-116.5	-175.8	5	0	0	116.9	L2668 Y3155	Q2666-L2668 HydrophobicContact CB-CD1 4Å; Q2666-L2668 HydrophobicContact CG-CD1 4.45Å; Q2666-L2668 VanDerWaalsContact NE2-CD1 3.28Å; Q2666-Y3155 VanDerWaalsContact N-CZ 3.28Å; Q2666-Y3155 PolarHBondContact N-OH 2.98Å; Q2666-Y3155 WeakPolarHBondContact O-CD1 3.31Å; Q2666-Y3155 WeakPolarHBondContact O-CE1 3.46Å
2667	Y	33.5	Very low	33.5	Very low	199.2 Å²	199.2	134.6 Å²	134.6	78%	0.781	72%	0.724	S	S	*	*			trans	-140.7	110.6	135.2	-94.6	-88.5	0	0	0	113.9	L3156	Y2667-L3156 WeakPolarHBondContact O-CD1 3.45Å; Y2667-L3156 VanDerWaalsContact O-CD2 3.3Å; Y2667-L3156 WeakPolarHBondContact O-CD2 3.14Å
2668	L	31	Very low	33.6	Very low	137.4 Å²	137.4	138 Å²	138	72%	0.719	73%	0.726	S	S	*	*				71.6	122.4	114.9	-104.1	99	0	0	0	113	Q2666 L3156	Q2666-L2668 HydrophobicContact CB-CD1 4Å; Q2666-L2668 HydrophobicContact CG-CD1 4.45Å; Q2666-L2668 VanDerWaalsContact NE2-CD1 3.28Å; L2668-L3156 VanDerWaalsContact O-CD2 3.23Å; L2668-L3156 WeakPolarHBondContact O-CD2 3.47Å
2669	G	32.1	Very low	33.9	Very low	55.4 Å²	55.4	140.4 Å²	140.4	57%	0.571	73%	0.725	S	S	*	*			cis	152.9	137.3	19.9	0	0	0	0	0	114.2	L3158 A3159	G2669-L3158 PolarHBondContact N-O 2.6Å; G2669-L3158 CarbonylContact O-C 3.34Å; G2669-L3158 VanDerWaalsContact O-O 3.09Å; G2669-A3159 WeakPolarHBondContact O-CB 3.48Å; G2669-A3159 PolarHBondContact O-N 2.73Å
2670	L	36.1	Very low	34.2	Very low	165 Å²	165	142.5 Å²	142.5	86%	0.864	73%	0.725	S	S	*	*			trans	71.8	124.6	151.5	-60.7	178.2	0	0	0	112.4
2671	A	31.8	Very low	34.5	Very low	79 Å²	79	143 Å²	143	65%	0.653	72%	0.719	S	S	*	*			cis	165.1	131.6	45.9	0	0	0	0	0	111.6	D3161	A2671-D3161 WeakPolarHBondContact O-CB 2.87Å
2672	L	34.4	Very low	34.6	Very low	152.2 Å²	152.2	140.9 Å²	140.9	80%	0.797	72%	0.716	S	S	*	*			trans	17.9	126.5	148.8	-57.6	175.5	0	0	0	113.6	V2674	L2672-V2674 HydrophobicContact CB-CG2 4.3Å; L2672-V2674 PolarHBondContact O-N 3.2Å
2673	D	35.9	Very low	34.7	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	72%	0.716	S	S	*	*				-125.5	156.3	84	-122.2	-33.9	0	0	0	112.8	D2675	D2673-D2675 HydrophobicContact CB-CB 4.28Å; D2673-D2675 PolarHBondContact O-N 3.29Å
2674	V	38.1	Very low	34.9	Very low	116.6 Å²	116.6	145.1 Å²	145.1	71%	0.707	72%	0.721	S	S	*	*			trans	-121.7	112.5	170.3	175.2	0	0	0	0	113	L2672 R2676	L2672-V2674 HydrophobicContact CB-CG2 4.3Å; L2672-V2674 PolarHBondContact O-N 3.2Å; V2674-R2676 PolarHBondContact O-N 2.84Å
2675	D	34.1	Very low	35.1	Very low	118.8 Å²	118.8	145.1 Å²	145.1	64%	0.635	72%	0.72	S	S	*	*			trans	-21.8	127.3	156.9	-73.6	-43.1	0	0	0	116.4	D2673 I2677 K2678 R3164	D2673-D2675 HydrophobicContact CB-CB 4.28Å; D2673-D2675 PolarHBondContact O-N 3.29Å; D2675-I2677 PolarHBondContact O-N 3.13Å; D2675-K2678 IonicContact OD2-NZ 3.44Å; D2675-K2678 PolarHBondContact OD2-NZ 3.37Å; D2675-R3164 IonicContact OD1-CZ 2.56Å; D2675-R3164 IonicContact OD1-NH1 2.92Å; D2675-R3164 PolarHBondContact OD1-NH1 2.9Å; D2675-R3164 IonicContact OD2-CZ 2.7Å; D2675-R3164 VanDerWaalsContact OD2-CZ 3.25Å; D2675-R3164 IonicContact OD2-NH1 2.61Å; D2675-R3164 PolarHBondContact OD2-NH1 3.42Å; D2675-R3164 IonicContact OD2-NH2 3.73Å; D2675-R3164 PolarHBondContact OD2-NH2 2.76Å
2676	R	36	Very low	35.1	Very low	214.2 Å²	214.2	143.6 Å²	143.6	81%	0.808	72%	0.718	S	S	*	*				147	128.6	112.7	-125.3	-179.9	-174	-172.1	0.2	113.4	V2674 K2678	V2674-R2676 PolarHBondContact O-N 2.84Å; R2676-K2678 VanDerWaalsContact O-CD 3.32Å; R2676-K2678 WeakPolarHBondContact O-CD 3.41Å; R2676-K2678 WeakPolarHBondContact O-CE 3.17Å; R2676-K2678 WeakPolarHBondContact O-CG 3.43Å; R2676-K2678 PolarHBondContact O-N 2.94Å; R2676-K2678 VanDerWaalsContact O-N 3.12Å; R2676-K2678 PolarHBondContact O-NZ 2.73Å
2677	I	36.1	Very low	35.4	Very low	136 Å²	136	144.9 Å²	144.9	70%	0.697	72%	0.724	S	S	*	*			trans	-130.4	105.1	143.9	-65.7	171	0	0	0	112.4	D2675 K3167	D2675-I2677 PolarHBondContact O-N 3.13Å; I2677-K3167 HydrophobicContact CG2-CD 3.97Å
2678	K	34.5	Very low	35.4	Very low	169.4 Å²	169.4	138.2 Å²	138.2	74%	0.737	72%	0.715	S	S	*	*				66.8	129.8	115.2	-73	174.3	-177.8	171.1	0	114.3	D2675 R2676 K3167	D2675-K2678 IonicContact OD2-NZ 3.44Å; D2675-K2678 PolarHBondContact OD2-NZ 3.37Å; R2676-K2678 VanDerWaalsContact O-CD 3.32Å; R2676-K2678 WeakPolarHBondContact O-CD 3.41Å; R2676-K2678 WeakPolarHBondContact O-CE 3.17Å; R2676-K2678 WeakPolarHBondContact O-CG 3.43Å; R2676-K2678 PolarHBondContact O-N 2.94Å; R2676-K2678 VanDerWaalsContact O-N 3.12Å; R2676-K2678 PolarHBondContact O-NZ 2.73Å; K2678-K3167 PolarHBondContact O-NZ 3.15Å
2679	K	36.2	Very low	35.8	Very low	146.6 Å²	146.6	137.1 Å²	137.1	64%	0.637	72%	0.717	S	S	*	*				96.6	156.8	126.8	-78.4	-173.4	152.7	-126.6	0	112.1	K3167	K2679-K3167 PolarHBondContact O-NZ 3.49Å
2680	D	35.1	Very low	36.1	Very low	126.8 Å²	126.8	139.4 Å²	139.4	68%	0.678	72%	0.721	S	S	*	*				85.3	115	58.7	-54.3	-49.7	0	0	0	113.4
2681	Q	36.3	Very low	35.8	Very low	130.2 Å²	130.2	136.4 Å²	136.4	61%	0.608	71%	0.713	S	S	*	*				92.8	130.2	92.1	-82.7	179.4	-28.2	0	0	111.7	D2185	D2185-Q2681 PolarHBondContact OD1-NE2 3.32Å; D2185-Q2681 PolarHBondContact OD2-NE2 3.22Å
2682	E	34.7	Very low	36	Very low	153.4 Å²	153.4	138 Å²	138	72%	0.717	72%	0.717	S	S	*	*				167.5	158.8	82.8	-101	166.7	172.5	0	0	114.9	D2185 V2186	D2185-E2682 VanDerWaalsContact CA-OE1 3.29Å; D2185-E2682 WeakPolarHBondContact CA-OE1 3.32Å; D2185-E2682 PolarHBondContact N-OE1 3.44Å; V2186-E2682 HydrophobicContact CG2-CG 3.68Å; V2186-E2682 PolarHBondContact N-OE1 2.86Å
2683	E	38	Very low	36	Very low	155.8 Å²	155.8	140.3 Å²	140.3	73%	0.728	72%	0.715	S	S	*	*			trans	173.7	152.7	163.4	-90.8	174.7	169.7	0	0	114.8	V2186 D2187 R2188	V2186-E2683 HydrophobicContact CB-CG 4.39Å; V2186-E2683 HydrophobicContact CG1-CG 4.39Å; V2186-E2683 HydrophobicContact CG2-CG 4.32Å; D2187-E2683 VanDerWaalsContact C-CD 3.47Å; D2187-E2683 WeakPolarHBondContact CA-OE1 3.33Å; D2187-E2683 PolarHBondContact N-OE1 3.41Å; D2187-E2683 VanDerWaalsContact N-OE1 3.12Å; R2188-E2683 HydrophobicContact CG-CB 4.02Å; R2188-E2683 HydrophobicContact CG-CG 4.27Å; R2188-E2683 VanDerWaalsContact CG-OE2 3.27Å; R2188-E2683 WeakPolarHBondContact CG-OE2 3.06Å; R2188-E2683 VanDerWaalsContact N-CD 3.27Å; R2188-E2683 PolarHBondContact N-OE2 3.44Å; R2188-E2683 VanDerWaalsContact N-OE2 3.14Å; R2188-E2683 PolarHBondContact NE-O 2.84Å; R2188-E2683 PolarHBondContact NH1-O 2.93Å
2684	E	36.4	Very low	35.9	Very low	177.4 Å²	177.4	139.8 Å²	139.8	83%	0.829	71%	0.711	S	S	*	*			trans	12.1	143.7	140.8	-85.7	-174.7	137.8	0	0	117.7	R2188	R2188-E2684 WeakPolarHBondContact CD-O 3.38Å; R2188-E2684 VanDerWaalsContact CG-O 3.25Å; R2188-E2684 WeakPolarHBondContact CG-O 3.34Å; R2188-E2684 VanDerWaalsContact NE-C 3.29Å; R2188-E2684 PolarHBondContact NE-O 2.83Å
2685	E	40.3	Very low	35.8	Very low	170.8 Å²	170.8	139.2 Å²	139.2	80%	0.798	71%	0.712	S	S	*	*				-128.3	143.3	104.5	-71.6	-180	126.2	0	0	111.8	D2187 R2188 K2190	D2187-E2685 WeakPolarHBondContact OD1-CG 3.29Å; D2187-E2685 PolarHBondContact OD1-N 2.76Å; D2187-E2685 WeakPolarHBondContact OD2-CG 3.23Å; R2188-E2685 WeakPolarHBondContact CD-O 3.13Å; R2188-E2685 PolarHBondContact NE-O 3.23Å; R2188-E2685 PolarHBondContact NH2-O 3.37Å; K2190-E2685 PolarHBondContact NZ-O 3.18Å
2686	D	36.1	Very low	36.2	Very low	124.8 Å²	124.8	143.6 Å²	143.6	67%	0.667	72%	0.72	S	S	*	*				165.7	154.4	114.8	-159.5	23.2	0	0	0	115.4	G2688	D2686-G2688 PolarHBondContact O-N 3.42Å
2687	Q	36.9	Very low	36.4	Very low	167.6 Å²	167.6	141.2 Å²	141.2	78%	0.783	72%	0.718	S	S	*	*			trans	41.4	118.6	171	-53.3	-136	1.5	0	0	117.7
2688	G	33.9	Very low	36.4	Very low	58.6 Å²	58.6	141.5 Å²	141.5	60%	0.604	72%	0.72	S	S	*	*			trans	-158.1	141.7	146.1	0	0	0	0	0	116	D2686 P2690	D2686-G2688 PolarHBondContact O-N 3.42Å; G2688-P2690 VanDerWaalsContact O-CD 3.26Å; G2688-P2690 WeakPolarHBondContact O-CD 3.25Å
2689	P	39.6	Very low	36.7	Very low	114.4 Å²	114.4	140.2 Å²	140.2	74%	0.743	72%	0.72	S	S	*	*			trans	-93.7	150.4	-167.6	27.3	-21.2	0	0	0	112.6	C2691	P2689-C2691 PolarHBondContact O-N 2.61Å
2690	P	37	Very low	36.8	Very low	102.8 Å²	102.8	140.9 Å²	140.9	67%	0.668	73%	0.726	S	S	*	*			trans	-124.2	112.1	152.2	36.3	-23.1	0	0	0	113.7	G2688 P2692	G2688-P2690 VanDerWaalsContact O-CD 3.26Å; G2688-P2690 WeakPolarHBondContact O-CD 3.25Å; P2690-P2692 WeakPolarHBondContact O-CD 3.49Å; P2690-P2692 WeakPolarHBondContact O-CG 3.4Å
2691	C	29.7	Very low	37.1	Very low	102.2 Å²	102.2	140.2 Å²	140.2	69%	0.691	73%	0.726	S	S	*	*			trans	22.9	136.5	165.6	-59.3	0	0	0	0	115.5	P2689 R2693	P2689-C2691 PolarHBondContact O-N 2.61Å; C2691-R2693 VanDerWaalsContact C-N 3.31Å; C2691-R2693 HydrophobicContact CB-CG 4.07Å; C2691-R2693 PolarHBondContact O-N 2.73Å
2692	P	36.7	Very low	37.4	Very low	112.2 Å²	112.2	140.2 Å²	140.2	73%	0.729	74%	0.735	S	S	*	*				-94.8	100.2	115.2	16	-9.1	0	0	0	113.3	P2690 L2694	P2690-P2692 WeakPolarHBondContact O-CD 3.49Å; P2690-P2692 WeakPolarHBondContact O-CG 3.4Å; P2692-L2694 PolarHBondContact O-N 3.45Å; P2692-L2694 VanDerWaalsContact O-N 3.09Å
2693	R	34	Very low	37.3	Very low	201.4 Å²	201.4	140.6 Å²	140.6	76%	0.76	74%	0.737	S	S	*	*			trans	-69.8	132.7	165	-79.4	-174.4	165.5	136.1	-1.8	111.8	C2691 E3172	C2691-R2693 VanDerWaalsContact C-N 3.31Å; C2691-R2693 HydrophobicContact CB-CG 4.07Å; C2691-R2693 PolarHBondContact O-N 2.73Å; R2693-E3172 PolarHBondContact NH1-O 3.49Å
2694	L	33.8	Very low	37.4	Very low	136.4 Å²	136.4	138 Å²	138	71%	0.714	73%	0.733	S	S	*	*				148.6	116.3	121.7	-67.7	-178.4	0	0	0	111	P2692 Q3169 E3170 E3171	P2692-L2694 PolarHBondContact O-N 3.45Å; P2692-L2694 VanDerWaalsContact O-N 3.09Å; L2694-Q3169 VanDerWaalsContact CD1-C 3.45Å; L2694-Q3169 VanDerWaalsContact CD1-O 3.25Å; L2694-Q3169 WeakPolarHBondContact CD1-O 3.11Å; L2694-E3170 WeakPolarHBondContact CB-O 3.22Å; L2694-E3170 VanDerWaalsContact CD1-O 3.32Å; L2694-E3170 WeakPolarHBondContact CD1-O 3.45Å; L2694-E3171 VanDerWaalsContact C-CB 3.49Å; L2694-E3171 CarbonylContact C-O 3.45Å; L2694-E3171 WeakPolarHBondContact CA-O 3.01Å; L2694-E3171 HydrophobicContact CB-CB 3.77Å; L2694-E3171 WeakPolarHBondContact CB-O 3.49Å; L2694-E3171 WeakPolarHBondContact CD2-O 2.95Å; L2694-E3171 WeakPolarHBondContact CG-O 3.44Å
2695	S	37.2	Very low	37.4	Very low	104.4 Å²	104.4	137.3 Å²	137.3	73%	0.73	73%	0.73	S	S	*	*				108.5	129.3	129.2	76.4	0	0	0	0	113	E3171	S2695-E3171 WeakPolarHBondContact CA-OE2 2.98Å; S2695-E3171 WeakPolarHBondContact CB-OE2 3.43Å; S2695-E3171 PolarHBondContact N-O 3.47Å; S2695-E3171 PolarHBondContact OG-OE2 2.88Å
2696	R	41.5	Very low	37.1	Very low	210.8 Å²	210.8	134.8 Å²	134.8	80%	0.795	73%	0.726	S	S	*	*			trans	-150.5	105.9	153.6	-142	-163.2	163.3	143.9	1.2	110.9	E2703 E3172	R2696-E2703 IonicContact NH2-OE1 2.83Å; R2696-E3172 HydrophobicContact CB-CG 4.26Å; R2696-E3172 WeakPolarHBondContact CD-OE1 3.41Å; R2696-E3172 WeakPolarHBondContact CG-OE1 3.3Å; R2696-E3172 IonicContact CZ-OE1 2.92Å; R2696-E3172 IonicContact NE-OE1 2.63Å; R2696-E3172 IonicContact NH1-OE1 3.93Å; R2696-E3172 PolarHBondContact NH1-OE1 2.92Å
2697	E	41.1	Very low	37.1	Very low	162.4 Å²	162.4	135.7 Å²	135.7	76%	0.759	73%	0.73	S	S	*	*			trans	-85.4	118.9	133.6	-108.1	169.8	-163.7	0	0	111.3
2698	L	36	Very low	37.2	Very low	143.4 Å²	143.4	135.2 Å²	135.2	75%	0.751	73%	0.728	S	S	*	*				90.8	146.5	67.5	-96.6	153.9	0	0	0	114.8	E2700	L2698-E2700 HydrophobicContact CD2-CB 4.43Å
2699	L	39.9	Very low	37.1	Very low	141 Å²	141	137.5 Å²	137.5	74%	0.738	73%	0.726	S	S	*	*			trans	77.1	131.9	161	-86.5	121.1	0	0	0	113.1	V2701	L2699-V2701 HydrophobicContact CD2-CB 3.75Å; L2699-V2701 HydrophobicContact CD2-CG2 3.93Å; L2699-V2701 HydrophobicContact CG-CG2 4.48Å
2700	E	39.5	Very low	36.8	Very low	161.6 Å²	161.6	135.4 Å²	135.4	76%	0.755	71%	0.714	S	S	*	*			cis	128.2	120.4	14	-148.8	169.5	-175.2	0	0	112.9	L2698	L2698-E2700 HydrophobicContact CD2-CB 4.43Å
2701	V	40.9	Very low	36.8	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.685	72%	0.715	S	S	*	*			trans	116.3	128.4	141.1	-180	0	0	0	0	112.5	L2699 E2703	L2699-V2701 HydrophobicContact CD2-CB 3.75Å; L2699-V2701 HydrophobicContact CD2-CG2 3.93Å; L2699-V2701 HydrophobicContact CG-CG2 4.48Å; V2701-E2703 PolarHBondContact O-N 3.49Å
2702	V	42	Very low	37	Very low	129.8 Å²	129.8	137.9 Å²	137.9	79%	0.787	72%	0.715	S	S	*	*			trans	67.8	84.6	138.4	-174.3	0	0	0	0	116.8
2703	E	33.3	Very low	37.1	Very low	162 Å²	162	142.2 Å²	142.2	76%	0.757	72%	0.716	S	S	*	*				-53.9	163.9	126.5	-92	-168.5	140.9	0	0	114.3	R2696 V2701 E2705	R2696-E2703 IonicContact NH2-OE1 2.83Å; V2701-E2703 PolarHBondContact O-N 3.49Å; E2703-E2705 HydrophobicContact CB-CB 4.45Å; E2703-E2705 HydrophobicContact CB-CG 3.77Å; E2703-E2705 VanDerWaalsContact CB-N 3.29Å; E2703-E2705 PolarHBondContact OE1-N 3.15Å
2704	P	40.1	Very low	36.9	Very low	101.4 Å²	101.4	136.9 Å²	136.9	66%	0.658	71%	0.709	S	S	*	*			cis	-128.7	-173.6	-24	25.1	-5.1	0	0	0	114.1	V2706	P2704-V2706 HydrophobicContact CB-CG2 4.46Å
2705	E	35.7	Very low	37	Very low	161.6 Å²	161.6	140 Å²	140	76%	0.755	71%	0.712	S	S	*	*			trans	71.7	146.6	134.8	-68.1	-165.4	-179	0	0	120.1	E2703 L2707	E2703-E2705 HydrophobicContact CB-CB 4.45Å; E2703-E2705 HydrophobicContact CB-CG 3.77Å; E2703-E2705 VanDerWaalsContact CB-N 3.29Å; E2703-E2705 PolarHBondContact OE1-N 3.15Å; E2705-L2707 PolarHBondContact O-N 3.21Å
2706	V	34.9	Very low	36.8	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.715	71%	0.713	S	S	*	*			trans	76.9	121.4	136	-76.8	0	0	0	0	116.2	P2704	P2704-V2706 HydrophobicContact CB-CG2 4.46Å
2707	L	35.6	Very low	36.3	Very low	144.4 Å²	144.4	136.2 Å²	136.2	76%	0.756	71%	0.713	S	S	*	*				-160	114.5	127.9	-86.7	168.9	0	0	0	112.7	E2705 D2709	E2705-L2707 PolarHBondContact O-N 3.21Å; L2707-D2709 PolarHBondContact O-N 2.84Å
2708	Q	38.7	Very low	36	Very low	158.2 Å²	158.2	133.4 Å²	133.4	74%	0.739	71%	0.709	S	S	*	*				-82.1	116.9	124.4	-82.6	-174.6	-28.5	0	0	113.4	G2262 E2263	G2262-Q2708 CarbonylContact O-C 3.44Å; G2262-Q2708 VanDerWaalsContact O-CB 3.32Å; G2262-Q2708 WeakPolarHBondContact O-CB 3.11Å; E2263-Q2708 PolarHBondContact OE1-NE2 3.46Å
2709	D	32.1	Very low	35.8	Very low	106 Å²	106	131.5 Å²	131.5	57%	0.567	71%	0.708	S	S	*	*				-130.4	146	110.1	-102.9	-24.4	0	0	0	112.8	E2265 K2266 L2707 L2711	E2265-D2709 WeakPolarHBondContact CA-OD1 3.5Å; E2265-D2709 PolarHBondContact N-OD1 3.41Å; E2265-D2709 PolarHBondContact N-OD2 3.34Å; K2266-D2709 PolarHBondContact N-OD1 2.71Å; L2707-D2709 PolarHBondContact O-N 2.84Å; D2709-L2711 PolarHBondContact O-N 2.8Å
2710	S	33.1	Very low	35.3	Very low	69.8 Å²	69.8	129.8 Å²	129.8	49%	0.488	71%	0.708	S	S	.	*			trans	-147.7	122.3	137.5	47.8	0	0	0	0	113.9	I2264 E2265 R3181 L3182 S3183	I2264-S2710 PolarHBondContact N-O 3.19Å; I2264-S2710 WeakPolarHBondContact O-CB 3.46Å; I2264-S2710 PolarHBondContact O-OG 3.17Å; E2265-S2710 VanDerWaalsContact C-N 3.3Å; E2265-S2710 WeakPolarHBondContact O-CB 3.2Å; E2265-S2710 PolarHBondContact O-N 3.08Å; S2710-R3181 VanDerWaalsContact CB-C 3.44Å; S2710-R3181 VanDerWaalsContact CB-O 3.22Å; S2710-R3181 WeakPolarHBondContact CB-O 3.34Å; S2710-R3181 PolarHBondContact OG-O 3.47Å; S2710-L3182 WeakPolarHBondContact O-CA 3.41Å; S2710-L3182 WeakPolarHBondContact O-CD2 2.9Å; S2710-L3182 WeakPolarHBondContact O-CG 3.34Å; S2710-L3182 WeakPolarHBondContact OG-CA 3.37Å; S2710-S3183 PolarHBondContact OG-N 2.8Å; S2710-S3183 VanDerWaalsContact OG-N 3.1Å
2711	L	36.9	Very low	34.9	Very low	131.6 Å²	131.6	127.2 Å²	127.2	69%	0.689	71%	0.706	S	S	*	*				-144.8	130	120.4	-63.8	172.1	0	0	0	115.1	D2709 R2713 P3180	D2709-L2711 PolarHBondContact O-N 2.8Å; L2711-R2713 HydrophobicContact CB-CB 4.43Å; L2711-R2713 HydrophobicContact CB-CG 3.83Å; L2711-R2713 VanDerWaalsContact CB-N 3.33Å; L2711-R2713 HydrophobicContact CD1-CG 4.15Å; L2711-R2713 PolarHBondContact O-N 2.79Å; L2711-R2713 VanDerWaalsContact O-N 3.17Å; L2711-P3180 VanDerWaalsContact CB-CA 3.43Å; L2711-P3180 HydrophobicContact CB-CB 3.65Å; L2711-P3180 HydrophobicContact CB-CG 4Å; L2711-P3180 HydrophobicContact CD2-CG 4.06Å; L2711-P3180 HydrophobicContact CG-CB 4.46Å; L2711-P3180 HydrophobicContact CG-CG 4.48Å
2712	D	34.8	Very low	34.4	Very low	126.6 Å²	126.6	129.5 Å²	129.5	68%	0.677	71%	0.714	S	S	*	*				-20.1	136.3	128.2	-83.4	-45.1	0	0	0	114.4	K2267 C2714 P3180	K2267-D2712 IonicContact NZ-OD2 3.23Å; K2267-D2712 PolarHBondContact NZ-OD2 3.5Å; D2712-C2714 WeakPolarHBondContact O-CB 3.36Å; D2712-C2714 PolarHBondContact O-N 2.85Å; D2712-C2714 PolarHBondContact O-SG 2.73Å; D2712-P3180 WeakPolarHBondContact O-CB 3.4Å
2713	R	37.4	Very low	33.9	Very low	203.4 Å²	203.4	131 Å²	131	77%	0.768	71%	0.712	S	S	*	*				-150.4	119.8	119	-128	178.2	-162.5	-166.9	-0.7	111.7	L2711 Y2715	L2711-R2713 HydrophobicContact CB-CB 4.43Å; L2711-R2713 HydrophobicContact CB-CG 3.83Å; L2711-R2713 VanDerWaalsContact CB-N 3.33Å; L2711-R2713 HydrophobicContact CD1-CG 4.15Å; L2711-R2713 PolarHBondContact O-N 2.79Å; L2711-R2713 VanDerWaalsContact O-N 3.17Å; R2713-Y2715 HydrophobicContact CG-CD2 4.16Å; R2713-Y2715 HydrophobicContact CG-CE2 3.67Å; R2713-Y2715 PolarHBondContact NH1-OH 3.46Å
2714	C	31.3	Very low	34	Very low	89.2 Å²	89.2	131.2 Å²	131.2	60%	0.603	71%	0.713	S	S	*	*			trans	-2.7	135.7	150.8	-58.2	0	0	0	0	115.8	D2712	D2712-C2714 WeakPolarHBondContact O-CB 3.36Å; D2712-C2714 PolarHBondContact O-N 2.85Å; D2712-C2714 PolarHBondContact O-SG 2.73Å
2715	Y	34.8	Very low	33.8	Very low	201.2 Å²	201.2	131.8 Å²	131.8	79%	0.789	72%	0.717	S	S	*	*			trans	99.5	137	140.6	-59.3	-69.3	0	0	0	113.9	R2713 T2717 E2845	R2713-Y2715 HydrophobicContact CG-CD2 4.16Å; R2713-Y2715 HydrophobicContact CG-CE2 3.67Å; R2713-Y2715 PolarHBondContact NH1-OH 3.46Å; Y2715-T2717 PolarHBondContact O-N 3.28Å; Y2715-E2845 PolarHBondContact OH-OE1 2.89Å
2716	S	32.7	Very low	33.7	Very low	106.2 Å²	106.2	130.2 Å²	130.2	74%	0.743	71%	0.713	S	S	*	*				-159.2	142.9	123	-71.8	0	0	0	0	112.8	P2718	S2716-P2718 WeakPolarHBondContact O-CD 3.49Å
2717	T	31	Very low	33.5	Very low	128.6 Å²	128.6	129.4 Å²	129.4	79%	0.789	71%	0.713	S	S	*	*			trans	-79.8	158.8	158.6	15.3	0	0	0	0	112.6	Y2715 S2719	Y2715-T2717 PolarHBondContact O-N 3.28Å; T2717-S2719 PolarHBondContact O-N 3.16Å; T2717-S2719 VanDerWaalsContact O-N 3.15Å
2718	P	35.1	Very low	33.3	Very low	104.2 Å²	104.2	128 Å²	128	68%	0.677	71%	0.714	S	S	*	*			cis	-114.2	169.9	-25.8	37.9	-27.9	0	0	0	114.6	S2716	S2716-P2718 WeakPolarHBondContact O-CD 3.49Å
2719	S	31.9	Very low	33	Very low	104.2 Å²	104.2	128.7 Å²	128.7	73%	0.729	72%	0.717	S	S	*	*			trans	75.6	125.1	144.4	68.3	0	0	0	0	118.1	T2717	T2717-S2719 PolarHBondContact O-N 3.16Å; T2717-S2719 VanDerWaalsContact O-N 3.15Å
2720	S	30.3	Very low	33.1	Very low	104.8 Å²	104.8	128.6 Å²	128.6	73%	0.733	72%	0.723	S	S	*	*			cis	-166.9	131.5	-2.1	54	0	0	0	0	112.3
2721	C	29.6	Very low	32.9	Very low	107.2 Å²	107.2	135.5 Å²	135.5	72%	0.724	74%	0.739	S	S	*	*			trans	64.4	124.7	140.9	76.4	0	0	0	0	120.9
2722	L	31.1	Very low	32.7	Very low	161 Å²	161	131.8 Å²	131.8	84%	0.843	73%	0.733	S	S	*	*			trans	112	114.2	145.3	-78.8	170.9	0	0	0	116.5
2723	E	31.6	Very low	32.5	Very low	160.6 Å²	160.6	129.9 Å²	129.9	75%	0.75	73%	0.73	S	S	*	*				121.9	127.3	83	-144.4	170.7	178.1	0	0	114.4
2724	Q	35.6	Very low	32.4	Very low	167.6 Å²	167.6	124.6 Å²	124.6	78%	0.783	72%	0.724	S	S	*	*			trans	-139.9	149.4	145.9	-78.6	175.7	3.1	0	0	112.1	D2726	Q2724-D2726 PolarHBondContact O-N 3.39Å
2725	P	34.8	Very low	32.4	Very low	112.8 Å²	112.8	127 Å²	127	73%	0.732	72%	0.724	S	S	*	*			cis	-110.9	-177	-2.3	32.6	-20	0	0	0	112.6	L2816	P2725-L2816 HydrophobicContact CB-CD2 4.06Å
2726	D	34.2	Very low	32.4	Very low	127.8 Å²	127.8	126.8 Å²	126.8	68%	0.683	72%	0.724	S	S	*	*			trans	-143.5	140.4	177.3	-94	-43.5	0	0	0	116.5	Q2724 L2816 E2817 L2818	Q2724-D2726 PolarHBondContact O-N 3.39Å; D2726-L2816 VanDerWaalsContact OD2-CB 3.29Å; D2726-L2816 WeakPolarHBondContact OD2-CB 3.39Å; D2726-L2816 WeakPolarHBondContact OD2-CD2 3.38Å; D2726-E2817 HydrophobicContact CB-CB 3.86Å; D2726-E2817 WeakPolarHBondContact CB-O 3.26Å; D2726-E2817 VanDerWaalsContact CG-O 3.31Å; D2726-E2817 PolarHBondContact OD2-N 3.15Å; D2726-L2818 HydrophobicContact CB-CB 4.32Å; D2726-L2818 HydrophobicContact CB-CD2 3.95Å; D2726-L2818 HydrophobicContact CB-CG 3.85Å
2727	S	30.5	Very low	32.5	Very low	101.2 Å²	101.2	125.5 Å²	125.5	71%	0.708	72%	0.719	S	S	*	*			trans	104	117.4	147.9	76.5	0	0	0	0	118	E2817 L2818	S2727-E2817 VanDerWaalsContact CA-CB 3.41Å; S2727-L2818 CarbonylContact O-C 2.93Å; S2727-L2818 WeakPolarHBondContact O-CA 3.11Å; S2727-L2818 PolarHBondContact O-N 2.83Å
2728	C	31.9	Very low	33.1	Very low	116.6 Å²	116.6	126.2 Å²	126.2	79%	0.788	72%	0.717	S	S	*	*			trans	-104.1	120.5	167.6	-82.5	0	0	0	0	115.8	E2817	C2728-E2817 HydrophobicContact CB-CB 3.66Å; C2728-E2817 HydrophobicContact CB-CG 3.7Å
2729	Q	31.4	Very low	33.3	Very low	172 Å²	172	128.2 Å²	128.2	80%	0.804	72%	0.718	S	S	*	*			trans	0.8	151.5	133.3	-74.1	-85	-14.6	0	0	115.7
2730	P	34.6	Very low	33.5	Very low	103.8 Å²	103.8	129.9 Å²	129.9	67%	0.674	71%	0.714	S	S	*	*			cis	-125.3	167.9	4.9	37.7	-25	0	0	0	114.1
2731	Y	29.5	Very low	33.8	Very low	214 Å²	214	132 Å²	132	84%	0.839	71%	0.71	S	S	*	*			trans	161.7	137.3	161.8	-129	-102.8	0	0	0	114
2732	G	33	Very low	34	Very low	53.8 Å²	53.8	134.7 Å²	134.7	56%	0.555	71%	0.711	S	S	*	*			cis	166.9	136.5	7.6	0	0	0	0	0	114.1
2733	S	29.9	Very low	34.1	Very low	88.2 Å²	88.2	133.7 Å²	133.7	62%	0.617	71%	0.712	S	S	*	*			trans	-161.3	120	164.1	64.7	0	0	0	0	113.6	F2735	S2733-F2735 WeakPolarHBondContact O-CD2 3.19Å; S2733-F2735 VanDerWaalsContact O-CE2 3.25Å; S2733-F2735 WeakPolarHBondContact O-CE2 3Å
2734	S	36.2	Very low	34.2	Very low	90.6 Å²	90.6	129.2 Å²	129.2	63%	0.634	71%	0.708	S	S	*	*			trans	157.5	147	152.6	53	0	0	0	0	112.4
2735	F	30.9	Very low	34	Very low	140.6 Å²	140.6	130.4 Å²	130.4	62%	0.617	71%	0.712	S	S	*	*			cis	157.7	176.3	36.4	-90.9	-81.1	0	0	0	112.1	E2601 I2602 E2603 S2733 D3308 S3309	E2601-F2735 WeakPolarHBondContact O-CD1 3.17Å; E2601-F2735 WeakPolarHBondContact O-CE1 3.39Å; I2602-F2735 HydrophobicContact CB-CB 3.77Å; I2602-F2735 HydrophobicContact CB-CD1 3.93Å; I2602-F2735 HydrophobicContact CB-CD2 4.3Å; I2602-F2735 HydrophobicContact CB-CG 3.73Å; I2602-F2735 HydrophobicContact CD1-CB 3.96Å; I2602-F2735 HydrophobicContact CG1-CB 3.62Å; I2602-F2735 HydrophobicContact CG1-CD1 3.61Å; I2602-F2735 HydrophobicContact CG1-CE1 4.49Å; I2602-F2735 HydrophobicContact CG1-CG 3.76Å; I2602-F2735 HydrophobicContact CG2-CB 3.14Å; I2602-F2735 HydrophobicContact CG2-CD1 4.17Å; I2602-F2735 HydrophobicContact CG2-CD2 3.78Å; I2602-F2735 HydrophobicContact CG2-CG 3.43Å; I2602-F2735 VanDerWaalsContact CG2-CG 3.43Å; E2603-F2735 VanDerWaalsContact O-CD2 3.29Å; E2603-F2735 WeakPolarHBondContact O-CD2 3.26Å; E2603-F2735 WeakPolarHBondContact O-CE2 3.16Å; S2733-F2735 WeakPolarHBondContact O-CD2 3.19Å; S2733-F2735 VanDerWaalsContact O-CE2 3.25Å; S2733-F2735 WeakPolarHBondContact O-CE2 3Å; F2735-D3308 HydrophobicContact CE2-CB 4.24Å; F2735-D3308 HydrophobicContact CZ-CB 4.1Å; F2735-S3309 WeakPolarHBondContact CD2-O 3.38Å; F2735-S3309 WeakPolarHBondContact CE2-O 3.23Å; F2735-S3309 VanDerWaalsContact CZ-N 3.32Å
2736	Y	35.2	Very low	34	Very low	198 Å²	198	130 Å²	130	78%	0.776	71%	0.711	S	S	*	*			trans	171	142.8	-161.9	-84.8	-55.2	0	0	0	113.6	I2602 C3310	I2602-Y2736 HydrophobicContact CB-CD1 4.19Å; I2602-Y2736 HydrophobicContact CD1-CD1 4.23Å; I2602-Y2736 HydrophobicContact CG2-CD1 3.23Å; I2602-Y2736 HydrophobicContact CG2-CE1 4Å; I2602-Y2736 HydrophobicContact CG2-CG 3.78Å; Y2736-C3310 PolarHBondContact OH-N 2.89Å; Y2736-C3310 VanDerWaalsContact OH-N 3.14Å
2737	A	35.1	Very low	34	Very low	78.4 Å²	78.4	131.3 Å²	131.3	65%	0.648	72%	0.718	S	S	*	*			trans	97.4	137.9	132.6	0	0	0	0	0	115.4
2738	L	41.9	Very low	34.3	Very low	142.6 Å²	142.6	133.1 Å²	133.1	75%	0.747	72%	0.719	S	S	*	*				-148.8	149	118.4	-86.7	173.6	0	0	0	110.6	V2597 M2599	V2597-L2738 HydrophobicContact CB-CD2 3.9Å; V2597-L2738 HydrophobicContact CG1-CD2 3.51Å; M2599-L2738 HydrophobicContact CB-CD2 4.29Å; M2599-L2738 HydrophobicContact CG-CD2 4.14Å; M2599-L2738 VanDerWaalsContact SD-CA 3.57Å; M2599-L2738 HydrophobicContact SD-CD2 4.29Å; M2599-L2738 HydrophobicContact SD-CG 4.44Å
2739	E	39.9	Very low	34.6	Very low	147 Å²	147	133.2 Å²	133.2	69%	0.687	72%	0.716	S	S	*	*			trans	26.2	125.5	138.3	-76	170.4	-177.7	0	0	114.9	A2596 V2597 K2741	A2596-E2739 WeakPolarHBondContact CB-OE1 3.02Å; V2597-E2739 HydrophobicContact CB-CG 4.42Å; V2597-E2739 HydrophobicContact CG2-CG 4.47Å; E2739-K2741 IonicContact OE1-NZ 2.82Å; E2739-K2741 PolarHBondContact OE1-NZ 3.16Å; E2739-K2741 WeakPolarHBondContact OE2-CE 3.43Å; E2739-K2741 IonicContact OE2-NZ 2.75Å; E2739-K2741 PolarHBondContact OE2-NZ 3.35Å
2740	E	36.3	Very low	34.9	Very low	138.4 Å²	138.4	128.2 Å²	128.2	65%	0.647	71%	0.711	S	S	*	*			cis	-174.3	115.4	31.3	-175.3	177.1	-169.6	0	0	113.4	G3377	E2740-G3377 WeakPolarHBondContact OE2-CA 3.46Å
2741	K	36.8	Very low	35.1	Very low	150 Å²	150	131.5 Å²	131.5	65%	0.652	72%	0.717	S	S	*	*			trans	168.6	122.6	153.1	-78.1	172.4	-175.9	137.3	0	115.6	E2739 G3377	E2739-K2741 IonicContact OE1-NZ 2.82Å; E2739-K2741 PolarHBondContact OE1-NZ 3.16Å; E2739-K2741 WeakPolarHBondContact OE2-CE 3.43Å; E2739-K2741 IonicContact OE2-NZ 2.75Å; E2739-K2741 PolarHBondContact OE2-NZ 3.35Å; K2741-G3377 PolarHBondContact NZ-O 3.32Å
2742	H	34.5	Very low	35.6	Very low	162.8 Å²	162.8	128.7 Å²	128.7	75%	0.754	72%	0.715	S	S	*	*			trans	158.9	123.4	144.3	-82.2	-53.6	0	0	0	114
2743	V	32.4	Very low	35.8	Very low	141.4 Å²	141.4	132.9 Å²	132.9	86%	0.857	72%	0.72	S	S	*	*				89.3	131	127.3	-176.4	0	0	0	0	114.8
2744	G	33.6	Very low	36.4	Very low	65.4 Å²	65.4	136.5 Å²	136.5	67%	0.674	73%	0.725	S	S	*	*			trans	116.2	111.7	168.9	0	0	0	0	0	113.9	S2746	G2744-S2746 PolarHBondContact O-N 3.41Å
2745	F	31.6	Very low	36.6	Very low	193.8 Å²	193.8	140.8 Å²	140.8	85%	0.85	73%	0.732	S	S	*	*			trans	-88	131.3	130.3	-78.3	-90.2	0	0	0	111.8	Q3386	F2745-Q3386 PolarHBondContact O-NE2 2.74Å
2746	S	33.6	Very low	37	Very low	104.6 Å²	104.6	137.5 Å²	137.5	73%	0.731	74%	0.738	S	S	*	*				-128.5	133.5	126.6	-16.7	0	0	0	0	111.4	G2744 Q3386	G2744-S2746 PolarHBondContact O-N 3.41Å; S2746-Q3386 PolarHBondContact O-NE2 2.86Å
2747	L	35.5	Very low	36.9	Very low	154.8 Å²	154.8	136.5 Å²	136.5	81%	0.81	74%	0.737	S	S	*	*				152.9	112.6	91.8	-106.2	172.4	0	0	0	111.4	V2749	L2747-V2749 HydrophobicContact CD2-CG2 3.91Å
2748	D	35.9	Very low	37.2	Very low	137.6 Å²	137.6	136.3 Å²	136.3	74%	0.736	74%	0.743	S	S	*	*			trans	-126.6	160.5	153.9	-166.3	15.9	0	0	0	108
2749	V	39.2	Very low	36.9	Very low	119.4 Å²	119.4	138 Å²	138	72%	0.724	75%	0.745	S	S	*	*			trans	-168	88	154.3	-172.1	0	0	0	0	112.4	L2747 E2751	L2747-V2749 HydrophobicContact CD2-CG2 3.91Å; V2749-E2751 HydrophobicContact CG1-CG 4.3Å
2750	G	36.8	Very low	36.9	Very low	67.4 Å²	67.4	140.4 Å²	140.4	70%	0.695	75%	0.753	S	S	*	*			trans	-103.9	69.6	164.4	0	0	0	0	0	116.5	I2752	G2750-I2752 PolarHBondContact O-N 2.72Å; G2750-I2752 VanDerWaalsContact O-N 3.07Å
2751	E	39	Very low	36.9	Very low	172.8 Å²	172.8	145.2 Å²	145.2	81%	0.807	77%	0.765	S	S	*	*			trans	-37.2	123.1	167.3	-68.7	-158.6	127.3	0	0	115.8	V2749	V2749-E2751 HydrophobicContact CG1-CG 4.3Å
2752	I	40.7	Very low	36.8	Very low	155.4 Å²	155.4	149.8 Å²	149.8	80%	0.797	78%	0.778	S	S	*	*			trans	-111.5	115.9	155.7	28.3	172.4	0	0	0	115.4	G2750 K2754	G2750-I2752 PolarHBondContact O-N 2.72Å; G2750-I2752 VanDerWaalsContact O-N 3.07Å; I2752-K2754 PolarHBondContact O-N 3.13Å
2753	E	37	Very low	37	Very low	141.8 Å²	141.8	145.6 Å²	145.6	66%	0.663	78%	0.778	S	S	*	*			trans	-85.6	131.1	148.6	-83.3	-146.4	109.1	0	0	114	K2755	E2753-K2755 PolarHBondContact O-N 3.05Å; E2753-K2755 WeakPolarHBondContact OE1-CE 3.35Å; E2753-K2755 IonicContact OE1-NZ 3.65Å; E2753-K2755 PolarHBondContact OE1-NZ 2.97Å; E2753-K2755 WeakPolarHBondContact OE2-CE 3.45Å; E2753-K2755 IonicContact OE2-NZ 2.79Å; E2753-K2755 PolarHBondContact OE2-NZ 3.42Å
2754	K	42	Very low	37.2	Very low	163.2 Å²	163.2	150.4 Å²	150.4	71%	0.71	78%	0.781	S	S	*	*			trans	-50.9	107	146.4	-81.8	161.7	-169.5	126.3	0	115.1	Y2117 I2752 G2756	Y2117-K2754 WeakPolarHBondContact OH-CE 3.24Å; I2752-K2754 PolarHBondContact O-N 3.13Å; K2754-G2756 PolarHBondContact O-N 3.23Å
2755	K	40.3	Very low	37.4	Very low	181.4 Å²	181.4	158.8 Å²	158.8	79%	0.789	79%	0.793	S	S	*	*			trans	-78	124.7	154.6	-68.8	-172.2	179.6	-167.7	0	114	E2122 E2753	E2122-K2755 IonicContact OE1-NZ 3.91Å; E2122-K2755 PolarHBondContact OE1-NZ 2.92Å; E2753-K2755 PolarHBondContact O-N 3.05Å; E2753-K2755 WeakPolarHBondContact OE1-CE 3.35Å; E2753-K2755 IonicContact OE1-NZ 3.65Å; E2753-K2755 PolarHBondContact OE1-NZ 2.97Å; E2753-K2755 WeakPolarHBondContact OE2-CE 3.45Å; E2753-K2755 IonicContact OE2-NZ 2.79Å; E2753-K2755 PolarHBondContact OE2-NZ 3.42Å
2756	G	39.3	Very low	37.8	Very low	71.4 Å²	71.4	154.5 Å²	154.5	74%	0.736	79%	0.787	S	S	*	*			trans	-127.5	123.4	170.2	0	0	0	0	0	115.5	K2754 G2758	K2754-G2756 PolarHBondContact O-N 3.23Å; G2756-G2758 VanDerWaalsContact C-N 3.28Å; G2756-G2758 PolarHBondContact O-N 3.11Å
2757	K	33.2	Very low	38	Very low	176.6 Å²	176.6	159.5 Å²	159.5	77%	0.768	80%	0.795	S	S	*	*			trans	-75.8	116.1	164.1	-72.9	173.8	167	-174	0	111.4	Y2117 E2119 R2521	Y2117-K2757 PolarHBondContact O-NZ 2.83Å; E2119-K2757 HydrophobicContact CG-CB 3.85Å; E2119-K2757 HydrophobicContact CG-CD 3.58Å; E2119-K2757 VanDerWaalsContact CG-CE 3.44Å; E2119-K2757 HydrophobicContact CG-CG 3.82Å; E2119-K2757 VanDerWaalsContact N-NZ 3.14Å; R2521-K2757 PolarHBondContact O-NZ 3.44Å
2758	G	41.2	Very low	38.1	Very low	75.4 Å²	75.4	160.1 Å²	160.1	78%	0.777	79%	0.791	S	S	*	*			trans	-144.1	108.3	-179.3	0	0	0	0	0	114	G2756 K2760	G2756-G2758 VanDerWaalsContact C-N 3.28Å; G2756-G2758 PolarHBondContact O-N 3.11Å; G2758-K2760 PolarHBondContact O-N 3.33Å
2759	K	35.5	Very low	38.1	Very low	177.8 Å²	177.8	160.5 Å²	160.5	77%	0.773	79%	0.789	S	S	*	*			trans	-75.5	119.4	168.2	-69.1	-178.6	176.9	-177.8	0	111.7	V2904 S2906	K2759-V2904 WeakPolarHBondContact CE-O 3.25Å; K2759-V2904 PolarHBondContact NZ-O 3.28Å; K2759-S2906 PolarHBondContact NZ-OG 3.38Å
2760	K	40.5	Very low	37.9	Very low	198 Å²	198	163.4 Å²	163.4	86%	0.861	79%	0.787	S	S	*	*			trans	-168.1	116.3	139.2	-94.7	157.6	-173.2	174.2	0	112.8	G2758	G2758-K2760 PolarHBondContact O-N 3.33Å
2761	R	35.2	Very low	38	Very low	238.4 Å²	238.4	169.8 Å²	169.8	90%	0.9	79%	0.79	S	S	*	*				48.4	131.1	125.9	-78.5	179.6	166	-174.2	-4.5	116.4
2762	R	34.5	Very low	37.8	Very low	246.2 Å²	246.2	172.9 Å²	172.9	93%	0.929	79%	0.794	S	S	*	*			trans	-16.2	121	150.5	-76.4	177.3	171.3	175.3	-3.9	113.7
2763	G	39.2	Very low	37.6	Very low	73.8 Å²	73.8	168.8 Å²	168.8	76%	0.761	79%	0.79	S	S	*	*			trans	-110.7	97.6	166.7	0	0	0	0	0	114.2
2764	R	37.3	Very low	37.7	Very low	244 Å²	244	171.4 Å²	171.4	92%	0.921	79%	0.794	S	S	*	*				-122.7	123.2	128.3	-73.7	-168.3	177.1	-163.2	0.6	111.4
2765	R	37.3	Very low	37.5	Very low	242 Å²	242	169.7 Å²	169.7	91%	0.913	79%	0.787	S	S	*	*			trans	172.6	116.3	149.8	-84.8	-178.8	176.4	178.2	-0.9	110.7	K2767	R2765-K2767 PolarHBondContact O-N 3.24Å
2766	S	39.8	Very low	37.4	Very low	102.8 Å²	102.8	166.5 Å²	166.5	72%	0.719	77%	0.774	S	S	*	*			trans	-148.4	105.1	159.2	50.7	0	0	0	0	112.6	K2768	S2766-K2768 PolarHBondContact O-N 3.26Å; S2766-K2768 VanDerWaalsContact O-N 3.16Å
2767	K	38.5	Very low	37.3	Very low	208.6 Å²	208.6	165.6 Å²	165.6	91%	0.907	77%	0.765	S	S	*	*			trans	-59.9	114.2	156.8	-80.2	-178.1	175	-176.7	0	110.2	R2765	R2765-K2767 PolarHBondContact O-N 3.24Å
2768	K	38.2	Very low	37.6	Very low	167.8 Å²	167.8	164.8 Å²	164.8	73%	0.73	76%	0.764	S	S	*	*			trans	-153.7	138.5	137.6	-117.9	176.6	-179.4	-176.9	0	109.8	S2766	S2766-K2768 PolarHBondContact O-N 3.26Å; S2766-K2768 VanDerWaalsContact O-N 3.16Å
2769	E	34.4	Very low	37.4	Very low	146.4 Å²	146.4	168.8 Å²	168.8	68%	0.684	76%	0.763	S	S	*	*			trans	-116	146.3	169.9	-175	-173.4	151.2	0	0	110.5
2770	R	36	Very low	37.5	Very low	181.2 Å²	181.2	166.1 Å²	166.1	68%	0.684	76%	0.756	S	S	*	*			trans	49.2	138.3	161.6	-77.7	154.4	87.9	154.3	-1.3	116.8
2771	R	37.9	Very low	37.4	Very low	200.8 Å²	200.8	164.1 Å²	164.1	76%	0.758	75%	0.751	S	S	*	*				161.1	118	73.6	-90.5	174.5	178.8	-172.4	-0.6	113.8
2772	R	35.9	Very low	37.3	Very low	238 Å²	238	159.1 Å²	159.1	90%	0.898	74%	0.742	S	S	*	*			trans	-13	129	147.1	-75.1	173.7	175.6	-176.4	-3.6	112.3
2773	G	36.8	Very low	37.7	Very low	69.4 Å²	69.4	152.9 Å²	152.9	72%	0.715	73%	0.733	S	S	*	*				147.9	122.7	123.6	0	0	0	0	0	111.9
2774	R	38.9	Very low	37.5	Very low	195.4 Å²	195.4	155 Å²	155	74%	0.737	73%	0.733	S	S	*	*				74.4	125.6	82.8	-103.5	-157.2	172.8	-152	-2.9	115.5	E2776	R2774-E2776 HydrophobicContact CG-CG 4.24Å; R2774-E2776 VanDerWaalsContact CZ-CD 3.47Å; R2774-E2776 IonicContact CZ-OE1 2.87Å; R2774-E2776 IonicContact CZ-OE2 3.07Å; R2774-E2776 IonicContact NE-OE1 3.75Å; R2774-E2776 PolarHBondContact NE-OE1 3.01Å; R2774-E2776 IonicContact NE-OE2 2.99Å; R2774-E2776 PolarHBondContact NE-OE2 3.26Å; R2774-E2776 IonicContact NH1-OE2 2.74Å; R2774-E2776 VanDerWaalsContact NH2-CD 3.25Å; R2774-E2776 IonicContact NH2-OE1 3.15Å; R2774-E2776 PolarHBondContact NH2-OE1 3.39Å; R2774-E2776 IonicContact NH2-OE2 2.94Å; R2774-E2776 PolarHBondContact NH2-OE2 2.94Å
2775	K	38.1	Very low	37.1	Very low	128.4 Å²	128.4	148.9 Å²	148.9	56%	0.558	73%	0.727	S	S	*	*			cis	-172.1	152.4	8.4	-106.2	-177.9	149.1	-112.6	0	108.3	G3261	K2775-G3261 WeakPolarHBondContact CE-O 3.25Å
2776	E	37.6	Very low	37.2	Very low	114 Å²	114	142.2 Å²	142.2	53%	0.533	72%	0.715	S	S	.	*				64.1	120.5	122.6	-75.2	167.8	-171.6	0	0	117.6	R2774 R3262 K3263 E3264	R2774-E2776 HydrophobicContact CG-CG 4.24Å; R2774-E2776 VanDerWaalsContact CZ-CD 3.47Å; R2774-E2776 IonicContact CZ-OE1 2.87Å; R2774-E2776 IonicContact CZ-OE2 3.07Å; R2774-E2776 IonicContact NE-OE1 3.75Å; R2774-E2776 PolarHBondContact NE-OE1 3.01Å; R2774-E2776 IonicContact NE-OE2 2.99Å; R2774-E2776 PolarHBondContact NE-OE2 3.26Å; R2774-E2776 IonicContact NH1-OE2 2.74Å; R2774-E2776 VanDerWaalsContact NH2-CD 3.25Å; R2774-E2776 IonicContact NH2-OE1 3.15Å; R2774-E2776 PolarHBondContact NH2-OE1 3.39Å; R2774-E2776 IonicContact NH2-OE2 2.94Å; R2774-E2776 PolarHBondContact NH2-OE2 2.94Å; E2776-R3262 VanDerWaalsContact OE1-CB 3.25Å; E2776-R3262 WeakPolarHBondContact OE1-CB 3.23Å; E2776-K3263 VanDerWaalsContact CG-O 3.3Å; E2776-K3263 WeakPolarHBondContact CG-O 3.44Å; E2776-E3264 VanDerWaalsContact CG-OE2 3.23Å; E2776-E3264 WeakPolarHBondContact CG-OE2 3.32Å
2777	G	36.5	Very low	36.9	Very low	52.6 Å²	52.6	148.8 Å²	148.8	54%	0.542	72%	0.724	S	S	.	*				-179.9	132.2	119.1	0	0	0	0	0	113.2	L2818 E3264	G2777-L2818 CarbonylContact C-O 3.29Å; G2777-L2818 VanDerWaalsContact C-O 3.29Å; G2777-L2818 PolarHBondContact O-N 2.62Å; G2777-E3264 CarbonylContact C-O 3.54Å; G2777-E3264 WeakPolarHBondContact CA-O 3.3Å
2778	E	40.2	Very low	36.4	Very low	159.6 Å²	159.6	145.2 Å²	145.2	75%	0.746	71%	0.714	S	S	*	*				91.1	120.4	91.8	-126.9	170	161.2	0	0	112.4	L2818 T2819 K3263 E3264 G3265	E2778-L2818 PolarHBondContact N-O 3.36Å; E2778-T2819 WeakPolarHBondContact CA-OG1 2.97Å; E2778-T2819 PolarHBondContact N-OG1 2.76Å; E2778-K3263 IonicContact OE1-NZ 2.69Å; E2778-K3263 PolarHBondContact OE1-NZ 2.77Å; E2778-K3263 IonicContact OE2-NZ 3.55Å; E2778-E3264 HydrophobicContact CB-CB 3.33Å; E2778-E3264 HydrophobicContact CB-CG 3.59Å; E2778-E3264 HydrophobicContact CG-CB 4.11Å; E2778-E3264 HydrophobicContact CG-CG 3.99Å; E2778-E3264 PolarHBondContact N-O 3.01Å; E2778-E3264 WeakPolarHBondContact OE1-CG 3.03Å; E2778-E3264 WeakPolarHBondContact OE2-CA 2.93Å; E2778-E3264 WeakPolarHBondContact OE2-CB 3.06Å; E2778-E3264 WeakPolarHBondContact OE2-CG 2.98Å; E2778-G3265 WeakPolarHBondContact OE2-CA 3.38Å; E2778-G3265 PolarHBondContact OE2-N 3.24Å
2779	E	37.5	Very low	36.2	Very low	159.4 Å²	159.4	142.5 Å²	142.5	75%	0.745	72%	0.716	S	S	*	*			cis	163.2	134.3	5.2	-100	-173.6	169.8	0	0	113.7	T2819 G3265 E3266	E2779-T2819 WeakPolarHBondContact CA-OG1 3.03Å; E2779-T2819 PolarHBondContact N-OG1 3.06Å; E2779-G3265 VanDerWaalsContact OE1-CA 3.31Å; E2779-G3265 WeakPolarHBondContact OE1-CA 3.34Å; E2779-E3266 PolarHBondContact OE1-N 3.28Å
2780	D	36.2	Very low	36.3	Very low	120.6 Å²	120.6	145.5 Å²	145.5	65%	0.645	72%	0.721	S	S	*	*			trans	97.1	146.6	135.7	-145.3	24.2	0	0	0	117.4	N2782	D2780-N2782 PolarHBondContact OD1-ND2 3.33Å
2781	Q	40.2	Very low	36.2	Very low	157.6 Å²	157.6	144.5 Å²	144.5	74%	0.736	72%	0.724	S	S	*	*			trans	111.8	129.7	155.5	-67.3	-57.7	-37.8	0	0	117.6
2782	N	32.8	Very low	36	Very low	133.4 Å²	133.4	141.9 Å²	141.9	71%	0.713	72%	0.724	S	S	*	*			trans	-53.4	140.6	158.1	-75.8	-76.1	0	0	0	117.1	D2780	D2780-N2782 PolarHBondContact OD1-ND2 3.33Å
2783	P	42.5	Very low	36	Very low	114.6 Å²	114.6	137.4 Å²	137.4	74%	0.744	72%	0.717	S	S	*	*			trans	-91.6	172	164.6	34.5	-28.3	0	0	0	112.1
2784	P	35	Very low	36	Very low	118.4 Å²	118.4	140 Å²	140	77%	0.769	72%	0.715	S	S	*	*			trans	-128.2	169.7	172.2	40	-28.4	0	0	0	116.6
2785	C	29.5	Very low	35.9	Very low	115.6 Å²	115.6	138.4 Å²	138.4	78%	0.781	72%	0.716	S	S	*	*			trans	-119.9	176	154.9	-63.1	0	0	0	0	113.1
2786	P	38.7	Very low	35.9	Very low	102 Å²	102	141.2 Å²	141.2	66%	0.662	73%	0.728	S	S	*	*				-124.1	164.8	-102.5	37.6	-24.1	0	0	0	115.1	P3274	P2786-P3274 HydrophobicContact CB-CG 4.11Å; P2786-P3274 HydrophobicContact CG-CG 4.27Å
2787	R	33.2	Very low	35.6	Very low	241 Å²	241	139.1 Å²	139.1	91%	0.909	74%	0.737	S	S	*	*			trans	-154.1	142.4	155.5	-77.4	-165.7	168.2	137.2	1.5	113.2
2788	L	29.2	Very low	35.4	Very low	134 Å²	134	142.3 Å²	142.3	70%	0.702	75%	0.748	S	S	*	*			trans	-105.4	135.8	154.6	-61.8	168.6	0	0	0	114.2	E3239 I3240 P3274 L3276	L2788-E3239 VanDerWaalsContact CB-CD 3.48Å; L2788-E3239 HydrophobicContact CB-CG 4.47Å; L2788-E3239 VanDerWaalsContact CB-OE1 3.3Å; L2788-E3239 WeakPolarHBondContact CB-OE1 3.48Å; L2788-E3239 WeakPolarHBondContact CB-OE2 3.46Å; L2788-E3239 HydrophobicContact CD1-CG 4.04Å; L2788-E3239 VanDerWaalsContact CD1-OE2 3.26Å; L2788-E3239 WeakPolarHBondContact CD1-OE2 3.24Å; L2788-I3240 HydrophobicContact CD1-CB 4.36Å; L2788-I3240 HydrophobicContact CD1-CD1 3.66Å; L2788-I3240 HydrophobicContact CD1-CG1 3.8Å; L2788-I3240 HydrophobicContact CD1-CG2 3.62Å; L2788-P3274 HydrophobicContact CD1-CB 4.11Å; L2788-P3274 HydrophobicContact CD1-CG 4.33Å; L2788-L3276 HydrophobicContact CD2-CD1 3.6Å; L2788-L3276 HydrophobicContact CD2-CG 4.15Å
2789	S	32.7	Very low	35	Very low	109.4 Å²	109.4	143.7 Å²	143.7	77%	0.765	76%	0.755	S	S	*	*			trans	106.9	135.5	148.2	53.4	0	0	0	0	115.5	E3239	S2789-E3239 VanDerWaalsContact CB-OE1 3.24Å; S2789-E3239 WeakPolarHBondContact CB-OE1 3.25Å; S2789-E3239 PolarHBondContact OG-OE1 3.31Å
2790	R	36.7	Very low	34.9	Very low	209.4 Å²	209.4	142.4 Å²	142.4	79%	0.79	76%	0.757	S	S	*	*				113.8	114.7	101.7	-154.5	170.2	-173.5	155.9	3.5	112.8	L2792	R2790-L2792 HydrophobicContact CG-CD1 4.07Å
2791	E	35	Very low	34.7	Very low	160.6 Å²	160.6	143.7 Å²	143.7	75%	0.75	76%	0.763	S	S	*	*			trans	72.5	118.1	136.5	-64.5	169.5	169.2	0	0	111.2
2792	L	32.4	Very low	34.6	Very low	145.6 Å²	145.6	145.1 Å²	145.1	76%	0.762	77%	0.77	S	S	*	*				100.4	119.5	80.3	-79	177.4	0	0	0	113.1	R2790	R2790-L2792 HydrophobicContact CG-CD1 4.07Å
2793	L	36.2	Very low	34.7	Very low	144.4 Å²	144.4	145.4 Å²	145.4	76%	0.756	77%	0.772	S	S	*	*			trans	-156	137.1	148.3	-77.9	168.7	0	0	0	112
2794	D	37.7	Very low	34.2	Very low	124.2 Å²	124.2	144.6 Å²	144.6	66%	0.664	77%	0.769	S	S	*	*				119.7	139.9	127.2	-109	-13.2	0	0	0	114.8	K2796	D2794-K2796 IonicContact OD1-NZ 2.85Å
2795	E	36.6	Very low	34.1	Very low	161 Å²	161	146.4 Å²	146.4	75%	0.752	77%	0.771	S	S	*	*			trans	85	117.1	132.7	-85	-161.4	133.8	0	0	118.1	G2797	E2795-G2797 PolarHBondContact O-N 3.26Å
2796	K	37.8	Very low	34.4	Very low	187 Å²	187	147.6 Å²	147.6	81%	0.813	77%	0.77	S	S	*	*			trans	26.1	100.8	142	-63.5	-77.4	-175.5	179.5	0	116.4	D2794	D2794-K2796 IonicContact OD1-NZ 2.85Å
2797	G	30.1	Very low	34.3	Very low	71.2 Å²	71.2	152.6 Å²	152.6	73%	0.734	78%	0.776	S	S	*	*			trans	-99.3	137.7	152.9	0	0	0	0	0	112.2	E2795	E2795-G2797 PolarHBondContact O-N 3.26Å
2798	P	33.7	Very low	34.1	Very low	118.6 Å²	118.6	145.9 Å²	145.9	77%	0.77	76%	0.764	S	S	*	*			trans	-108.9	138.1	152.5	36.9	-30	0	0	0	113.7
2799	E	31.9	Very low	34.1	Very low	189 Å²	189	149.9 Å²	149.9	88%	0.883	77%	0.772	S	S	*	*			trans	-67.8	141.4	155	-65.8	-177.3	154.7	0	0	113.2
2800	V	35.5	Very low	34.1	Very low	131.8 Å²	131.8	149.6 Å²	149.6	80%	0.799	77%	0.77	S	S	*	*			trans	-124.3	111.4	174.2	-169.1	0	0	0	0	110.4
2801	L	31.4	Very low	33.8	Very low	148 Å²	148	145.6 Å²	145.6	78%	0.775	77%	0.768	S	S	*	*			trans	17.5	114.2	145	-77.7	167.2	0	0	0	115	D2803	L2801-D2803 HydrophobicContact CB-CB 4.45Å; L2801-D2803 HydrophobicContact CD2-CB 3.94Å
2802	Q	38.9	Very low	33.5	Very low	188.4 Å²	188.4	143.4 Å²	143.4	88%	0.88	77%	0.768	S	S	*	*				-131.5	117.9	117.2	-79.5	179.9	-2	0	0	111.8
2803	D	33.2	Very low	33.3	Very low	138.6 Å²	138.6	141.9 Å²	141.9	74%	0.741	77%	0.77	S	S	*	*			trans	-57	142.6	150	-117.4	-19.2	0	0	0	113.6	L2801 L2805	L2801-D2803 HydrophobicContact CB-CB 4.45Å; L2801-D2803 HydrophobicContact CD2-CB 3.94Å; D2803-L2805 PolarHBondContact O-N 3.19Å
2804	S	32.2	Very low	32.9	Very low	97.8 Å²	97.8	138.4 Å²	138.4	68%	0.684	77%	0.769	S	S	*	*			trans	50.9	105.5	155.1	55.2	0	0	0	0	119
2805	L	34.3	Very low	32.4	Very low	156.2 Å²	156.2	137.8 Å²	137.8	82%	0.818	77%	0.773	S	S	*	*				-166.5	102.7	124.4	-78.1	178.3	0	0	0	112.6	D2803 R2807	D2803-L2805 PolarHBondContact O-N 3.19Å; L2805-R2807 HydrophobicContact CB-CB 4Å; L2805-R2807 HydrophobicContact CD2-CB 4.2Å; L2805-R2807 HydrophobicContact CD2-CG 4.44Å; L2805-R2807 PolarHBondContact O-N 3.11Å
2806	D	35.8	Very low	32.1	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	77%	0.774	S	S	*	*			trans	-141.2	122.9	135.7	-108.2	-21.1	0	0	0	111.1	C2808 R3295	D2806-C2808 PolarHBondContact O-N 2.84Å; D2806-R3295 WeakPolarHBondContact O-CD 3.4Å; D2806-R3295 PolarHBondContact O-NH1 2.69Å
2807	R	36.7	Very low	31.9	Very low	207.6 Å²	207.6	134.6 Å²	134.6	78%	0.783	77%	0.765	S	S	*	*			trans	-144.1	105.9	178.6	-148.2	172.4	-150.7	-144.2	0.5	113.5	L2805	L2805-R2807 HydrophobicContact CB-CB 4Å; L2805-R2807 HydrophobicContact CD2-CB 4.2Å; L2805-R2807 HydrophobicContact CD2-CG 4.44Å; L2805-R2807 PolarHBondContact O-N 3.11Å
2808	C	27.2	Very low	32	Very low	100.2 Å²	100.2	137.5 Å²	137.5	68%	0.677	76%	0.763	S	S	*	*			trans	5.1	145	159.3	-64.8	0	0	0	0	114.7	D2806	D2806-C2808 PolarHBondContact O-N 2.84Å
2809	Y	31	Very low	32	Very low	217.6 Å²	217.6	136.2 Å²	136.2	85%	0.853	75%	0.753	S	S	*	*			trans	39.2	121.4	156.6	-61.7	-69.3	0	0	0	118.1
2810	S	31.1	Very low	32	Very low	104.2 Å²	104.2	133.1 Å²	133.1	73%	0.729	74%	0.743	S	S	*	*				69.1	104.5	123.1	-64.1	0	0	0	0	117.8
2811	T	30.3	Very low	31.8	Very low	123.6 Å²	123.6	131 Å²	131	76%	0.758	73%	0.734	S	S	*	*				-92.9	152.1	126	-17	0	0	0	0	113
2812	P	30.5	Very low	31.9	Very low	115.2 Å²	115.2	128.7 Å²	128.7	75%	0.748	73%	0.729	S	S	*	*				-117.8	158.5	113.6	37.1	-26.8	0	0	0	114.4
2813	S	27.2	Very low	31.5	Very low	114.4 Å²	114.4	126.3 Å²	126.3	80%	0.8	72%	0.718	S	S	*	*			trans	50	127.4	163.2	60.9	0	0	0	0	116.7
2814	G	28.7	Very low	31.6	Very low	71.4 Å²	71.4	124.1 Å²	124.1	74%	0.736	71%	0.711	S	S	*	*				97.7	88.2	79.2	0	0	0	0	0	113.1
2815	C	26.1	Very low	31.6	Very low	111.4 Å²	111.4	128.6 Å²	128.6	75%	0.753	72%	0.715	S	S	*	*			trans	88.9	117.2	130.6	-67.2	0	0	0	0	112.4	E2817	C2815-E2817 WeakPolarHBondContact CA-OE1 2.96Å
2816	L	31.2	Very low	31.5	Very low	147.4 Å²	147.4	131.5 Å²	131.5	77%	0.772	72%	0.715	S	S	*	*				-178.3	132.7	121	-68.2	167.4	0	0	0	113	P2725 D2726	P2725-L2816 HydrophobicContact CB-CD2 4.06Å; D2726-L2816 VanDerWaalsContact OD2-CB 3.29Å; D2726-L2816 WeakPolarHBondContact OD2-CB 3.39Å; D2726-L2816 WeakPolarHBondContact OD2-CD2 3.38Å
2817	E	32.2	Very low	31.2	Very low	133.6 Å²	133.6	130.2 Å²	130.2	62%	0.624	72%	0.717	S	S	*	*			trans	151.6	136.3	132.6	-69.6	152	166.2	0	0	113.1	D2726 S2727 C2728 C2815 T2819	D2726-E2817 HydrophobicContact CB-CB 3.86Å; D2726-E2817 WeakPolarHBondContact CB-O 3.26Å; D2726-E2817 VanDerWaalsContact CG-O 3.31Å; D2726-E2817 PolarHBondContact OD2-N 3.15Å; S2727-E2817 VanDerWaalsContact CA-CB 3.41Å; C2728-E2817 HydrophobicContact CB-CB 3.66Å; C2728-E2817 HydrophobicContact CB-CG 3.7Å; C2815-E2817 WeakPolarHBondContact CA-OE1 2.96Å; E2817-T2819 PolarHBondContact O-OG1 3.18Å
2818	L	33.8	Very low	31	Very low	131.2 Å²	131.2	124.3 Å²	124.3	69%	0.687	71%	0.712	S	S	*	*			trans	-154.5	137.2	160.4	-82.9	-179	0	0	0	111.2	D2726 S2727 G2777 E2778	D2726-L2818 HydrophobicContact CB-CB 4.32Å; D2726-L2818 HydrophobicContact CB-CD2 3.95Å; D2726-L2818 HydrophobicContact CB-CG 3.85Å; S2727-L2818 CarbonylContact O-C 2.93Å; S2727-L2818 WeakPolarHBondContact O-CA 3.11Å; S2727-L2818 PolarHBondContact O-N 2.83Å; G2777-L2818 CarbonylContact C-O 3.29Å; G2777-L2818 VanDerWaalsContact C-O 3.29Å; G2777-L2818 PolarHBondContact O-N 2.62Å; E2778-L2818 PolarHBondContact N-O 3.36Å
2819	T	33.7	Very low	30.9	Very low	92.4 Å²	92.4	128 Å²	128	57%	0.567	72%	0.717	S	S	*	*			trans	-140.5	116.4	159.2	-39.3	0	0	0	0	114.8	E2778 E2779 E2817 S2821	E2778-T2819 WeakPolarHBondContact CA-OG1 2.97Å; E2778-T2819 PolarHBondContact N-OG1 2.76Å; E2779-T2819 WeakPolarHBondContact CA-OG1 3.03Å; E2779-T2819 PolarHBondContact N-OG1 3.06Å; E2817-T2819 PolarHBondContact O-OG1 3.18Å; T2819-S2821 VanDerWaalsContact C-N 3.34Å; T2819-S2821 PolarHBondContact O-N 2.75Å
2820	D	31.8	Very low	30.9	Very low	122.6 Å²	122.6	126.5 Å²	126.5	66%	0.656	71%	0.711	S	S	*	*			trans	40.3	111.3	132.6	-82.8	-26.1	0	0	0	118.2	R3031	D2820-R3031 WeakPolarHBondContact O-CD 3.4Å; D2820-R3031 PolarHBondContact O-NH1 3.23Å
2821	S	31.2	Very low	30.9	Very low	88 Å²	88	127.4 Å²	127.4	62%	0.615	71%	0.707	S	S	*	*			trans	169.9	122.8	139.8	64.9	0	0	0	0	116.4	T2819 R3350	T2819-S2821 VanDerWaalsContact C-N 3.34Å; T2819-S2821 PolarHBondContact O-N 2.75Å; S2821-R3350 PolarHBondContact OG-N 3.37Å; S2821-R3350 VanDerWaalsContact OG-N 3.14Å
2822	C	32.6	Very low	30.9	Very low	100.4 Å²	100.4	128.5 Å²	128.5	68%	0.678	71%	0.707	S	S	*	*			trans	69.6	115.2	164	-80.8	0	0	0	0	117.1	L3351 S3352	C2822-L3351 CarbonylContact O-C 3.45Å; C2822-L3351 VanDerWaalsContact O-C 3.3Å; C2822-S3352 WeakPolarHBondContact O-CA 3.46Å; C2822-S3352 PolarHBondContact O-N 3.28Å; C2822-S3352 VanDerWaalsContact O-N 3.1Å
2823	Q	31.2	Very low	31.1	Very low	136.6 Å²	136.6	130.5 Å²	130.5	64%	0.638	71%	0.707	S	S	*	*			trans	39.2	161.3	136.8	-59.8	-61	-27.7	0	0	118.1	Q3344 D3345	Q2823-Q3344 VanDerWaalsContact CG-OE1 3.25Å; Q2823-D3345 PolarHBondContact NE2-O 2.97Å
2824	P	35.6	Very low	31.4	Very low	93.6 Å²	93.6	132.3 Å²	132.3	61%	0.608	70%	0.702	S	S	*	*			cis	-133	174.3	-5.2	29.5	-9.2	0	0	0	117.7	R2826 R3353 E3354	P2824-R2826 PolarHBondContact O-N 3.41Å; P2824-R3353 VanDerWaalsContact CD-O 3.25Å; P2824-R3353 WeakPolarHBondContact CD-O 3.06Å; P2824-R3353 CarbonylContact O-C 3.36Å; P2824-R3353 WeakPolarHBondContact O-CA 3.43Å; P2824-R3353 WeakPolarHBondContact O-CB 3.43Å; P2824-R3353 PolarHBondContact O-N 3.49Å; P2824-E3354 VanDerWaalsContact C-N 3.25Å; P2824-E3354 PolarHBondContact O-N 3.44Å
2825	Y	32.2	Very low	31.6	Very low	191.4 Å²	191.4	136.3 Å²	136.3	75%	0.751	70%	0.702	S	S	*	*			trans	62.4	124	162	-105.5	-101.4	0	0	0	119.5	R3353 E3354	Y2825-R3353 VanDerWaalsContact O-CB 3.3Å; Y2825-R3353 WeakPolarHBondContact O-CB 3.3Å; Y2825-E3354 VanDerWaalsContact CB-O 3.25Å; Y2825-E3354 WeakPolarHBondContact CB-O 3.44Å; Y2825-E3354 WeakPolarHBondContact CD2-O 2.97Å
2826	R	30.6	Very low	31.9	Very low	217 Å²	217	136.1 Å²	136.1	82%	0.819	70%	0.701	S	S	*	*				103.2	108	111.5	-88.1	-161.4	177.1	-148.5	0.2	118.3	P2824	P2824-R2826 PolarHBondContact O-N 3.41Å
2827	S	30	Very low	32	Very low	114.6 Å²	114.6	135 Å²	135	80%	0.801	70%	0.699	S	S	*	*				-170.9	135.2	121.8	57.7	0	0	0	0	113
2828	A	32.4	Very low	32	Very low	82.6 Å²	82.6	131.7 Å²	131.7	68%	0.683	70%	0.701	S	S	*	*				-177.5	141.7	109.6	0	0	0	0	0	114.1
2829	F	26	Very low	32	Very low	178 Å²	178	133.2 Å²	133.2	78%	0.781	71%	0.71	S	S	*	*			trans	50	137.4	152.6	-67.1	-83.4	0	0	0	118.3
2830	Y	31.1	Very low	32.1	Very low	186.2 Å²	186.2	133.3 Å²	133.3	73%	0.73	72%	0.719	S	S	*	*				170.2	140.5	120.9	-80.6	-75.3	0	0	0	115.5
2831	I	29.5	Very low	32.3	Very low	123.8 Å²	123.8	133.4 Å²	133.4	64%	0.635	72%	0.724	S	S	*	*				48.2	131.5	106.5	-59.1	170.6	0	0	0	113.5
2832	L	32	Very low	32.6	Very low	146.4 Å²	146.4	136.2 Å²	136.2	77%	0.766	73%	0.732	S	S	*	*			trans	-168.1	127.2	156	-140.4	66.9	0	0	0	110.8	Q2834	L2832-Q2834 HydrophobicContact CD1-CG 3.99Å; L2832-Q2834 HydrophobicContact CD2-CG 4.48Å; L2832-Q2834 HydrophobicContact CG-CG 4.05Å; L2832-Q2834 PolarHBondContact O-N 3.17Å
2833	E	33.5	Very low	33	Very low	157.8 Å²	157.8	139.2 Å²	139.2	74%	0.737	74%	0.738	S	S	*	*				-68	124.4	112.9	-127.9	-173	172.4	0	0	111.1	Q2835	E2833-Q2835 WeakPolarHBondContact OE1-CG 3.26Å; E2833-Q2835 PolarHBondContact OE1-NE2 3.19Å
2834	Q	35	Very low	33.4	Very low	152.4 Å²	152.4	139.1 Å²	139.1	71%	0.712	74%	0.742	S	S	*	*			trans	73.2	124.2	138.7	-65.2	-121.2	95.5	0	0	116.4	L2832	L2832-Q2834 HydrophobicContact CD1-CG 3.99Å; L2832-Q2834 HydrophobicContact CD2-CG 4.48Å; L2832-Q2834 HydrophobicContact CG-CG 4.05Å; L2832-Q2834 PolarHBondContact O-N 3.17Å
2835	Q	32.5	Very low	33.6	Very low	155.4 Å²	155.4	142.6 Å²	142.6	73%	0.726	75%	0.75	S	S	*	*				-159.6	137.7	108.8	-94.1	-175.6	-2.1	0	0	112.9	E2833 V2837	E2833-Q2835 WeakPolarHBondContact OE1-CG 3.26Å; E2833-Q2835 PolarHBondContact OE1-NE2 3.19Å; Q2835-V2837 PolarHBondContact O-N 3.25Å
2836	C	30.7	Very low	34.2	Very low	107.4 Å²	107.4	141.2 Å²	141.2	73%	0.726	75%	0.754	S	S	*	*			trans	-163.8	150.3	146.7	-76.9	0	0	0	0	114.8
2837	V	34	Very low	34.5	Very low	122.8 Å²	122.8	138.4 Å²	138.4	74%	0.744	75%	0.75	S	S	*	*			trans	97.8	131.4	138.7	-174.1	0	0	0	0	112.5	Q2835	Q2835-V2837 PolarHBondContact O-N 3.25Å
2838	G	32.7	Very low	34.9	Very low	65 Å²	65	141.1 Å²	141.1	67%	0.67	75%	0.748	S	S	*	*			cis	165.6	123.1	42.9	0	0	0	0	0	111.4
2839	L	33.6	Very low	35	Very low	163.6 Å²	163.6	146.7 Å²	146.7	86%	0.857	75%	0.752	S	S	*	*			trans	-166.3	128.2	131	-69.4	172.4	0	0	0	112.2	V2841	L2839-V2841 HydrophobicContact CB-CG2 4.39Å; L2839-V2841 HydrophobicContact CD1-CG2 4.5Å
2840	A	35.2	Very low	35.4	Very low	92.8 Å²	92.8	145.3 Å²	145.3	77%	0.767	75%	0.748	S	S	*	*			trans	-142.2	126.4	137.3	0	0	0	0	0	109.8
2841	V	36.1	Very low	35.5	Very low	126.4 Å²	126.4	144.2 Å²	144.2	77%	0.766	75%	0.75	S	S	*	*			trans	-152.9	122.9	144.9	163.8	0	0	0	0	107.9	L2839 M2843	L2839-V2841 HydrophobicContact CB-CG2 4.39Å; L2839-V2841 HydrophobicContact CD1-CG2 4.5Å; V2841-M2843 HydrophobicContact CG1-CB 4.38Å
2842	D	39	Very low	35.8	Very low	145.6 Å²	145.6	144.5 Å²	144.5	78%	0.779	76%	0.757	S	S	*	*			trans	-90.3	131.5	165.4	-100.5	-19.5	0	0	0	110.8
2843	M	39	Very low	35.9	Very low	162.8 Å²	162.8	146.1 Å²	146.1	80%	0.802	76%	0.761	S	S	*	*			trans	-156.7	107	166.6	-108.9	-165.9	66.4	0	0	111.3	V2841	V2841-M2843 HydrophobicContact CG1-CB 4.38Å
2844	D	39.9	Very low	36.1	Very low	135 Å²	135	146.4 Å²	146.4	72%	0.722	76%	0.762	S	S	*	*			trans	-76.4	156.9	170.3	-65.3	-56.2	0	0	0	115.5
2845	E	40.7	Very low	36	Very low	168 Å²	168	146.2 Å²	146.2	79%	0.785	77%	0.766	S	S	*	*			trans	65	89.2	152.7	-65.7	-171.1	169.8	0	0	119.4	Y2715 E2847	Y2715-E2845 PolarHBondContact OH-OE1 2.89Å; E2845-E2847 VanDerWaalsContact C-N 3.27Å; E2845-E2847 PolarHBondContact O-N 3.14Å
2846	I	44.6	Very low	36.2	Very low	162.6 Å²	162.6	146.4 Å²	146.4	83%	0.834	77%	0.767	S	S	*	*			trans	-113.9	90.3	140.1	-39.9	175.4	0	0	0	111.9
2847	E	36.5	Very low	36.3	Very low	157.4 Å²	157.4	148.6 Å²	148.6	74%	0.736	77%	0.771	S	S	*	*			trans	-96.7	142.7	151.2	-86.1	-161.3	145.6	0	0	112.3	E2845	E2845-E2847 VanDerWaalsContact C-N 3.27Å; E2845-E2847 PolarHBondContact O-N 3.14Å
2848	K	39.2	Very low	36.4	Very low	171.2 Å²	171.2	147.7 Å²	147.7	74%	0.744	77%	0.768	S	S	*	*			trans	115.9	119.6	161	-99.5	166.4	-176.1	168	0	117.5
2849	Y	35.1	Very low	36.5	Very low	199.4 Å²	199.4	149.7 Å²	149.7	78%	0.782	77%	0.772	S	S	*	*			trans	-18.4	129.8	144.1	-63.4	-77.8	0	0	0	114.9
2850	Q	33.1	Very low	36.2	Very low	149 Å²	149	147.8 Å²	147.8	70%	0.696	77%	0.771	S	S	*	*				116.6	122.9	83.6	-172.4	175.1	-3.7	0	0	112.2
2851	E	34	Very low	36.3	Very low	163 Å²	163	148.6 Å²	148.6	76%	0.762	77%	0.768	S	S	*	*			trans	73.5	151	148.3	-79.9	157	-163.6	0	0	117.2
2852	V	36.2	Very low	36.2	Very low	129.8 Å²	129.8	153.3 Å²	153.3	79%	0.787	77%	0.772	S	S	*	*				164.4	134.7	91.3	166.5	0	0	0	0	113.9	E2854	V2852-E2854 HydrophobicContact CG1-CB 4.29Å
2853	E	34.1	Very low	35.7	Very low	181.2 Å²	181.2	154.2 Å²	154.2	85%	0.847	78%	0.776	S	S	*	*			trans	-94.5	135.2	155.3	-91	177.8	155.5	0	0	112.5
2854	E	37.8	Very low	35.4	Very low	163.8 Å²	163.8	151.8 Å²	151.8	77%	0.765	78%	0.775	S	S	*	*			trans	-173.7	119.6	147.3	-134.9	178.3	175.1	0	0	110.9	V2852 Q2856	V2852-E2854 HydrophobicContact CG1-CB 4.29Å; E2854-Q2856 PolarHBondContact O-N 2.95Å; E2854-Q2856 PolarHBondContact OE1-NE2 3.26Å
2855	D	32.7	Very low	35.4	Very low	149 Å²	149	155.4 Å²	155.4	80%	0.797	78%	0.779	S	S	*	*			trans	-8.9	130.7	148.6	-106.7	-17.1	0	0	0	113.9
2856	Q	36.5	Very low	35.2	Very low	158.4 Å²	158.4	154.2 Å²	154.2	74%	0.74	77%	0.773	S	S	*	*			trans	172.7	106.3	174.5	-61.7	-104.3	-14.7	0	0	114.7	E2854	E2854-Q2856 PolarHBondContact O-N 2.95Å; E2854-Q2856 PolarHBondContact OE1-NE2 3.26Å
2857	D	33.2	Very low	34.7	Very low	153.2 Å²	153.2	153.7 Å²	153.7	82%	0.819	77%	0.771	S	S	*	*			trans	-116.2	131.7	145.8	-132.1	-8.5	0	0	0	111.8
2858	P	35.7	Very low	34.8	Very low	104 Å²	104	153.6 Å²	153.6	68%	0.675	78%	0.775	S	S	*	*				-120.1	150.3	106	37.2	-26.8	0	0	0	115
2859	S	34.6	Very low	34.6	Very low	108 Å²	108	152 Å²	152	76%	0.755	77%	0.774	S	S	*	*			trans	149.8	114.6	135.3	-41.2	0	0	0	0	116.3
2860	C	28	Very low	34.6	Very low	123.6 Å²	123.6	150.6 Å²	150.6	84%	0.835	78%	0.775	S	S	*	*			trans	-78.8	160.4	154.3	-63.5	0	0	0	0	114.5
2861	P	37.1	Very low	34.8	Very low	108.4 Å²	108.4	151.7 Å²	151.7	70%	0.704	78%	0.778	S	S	*	*				-127	159.3	-82.8	32.1	-15.4	0	0	0	114.1
2862	R	32.4	Very low	34.6	Very low	226.6 Å²	226.6	150.3 Å²	150.3	86%	0.855	77%	0.771	S	S	*	*			trans	158.2	150.5	151.5	-75.6	-177.6	169.9	165.5	-2	114.3
2863	L	28.9	Very low	34.7	Very low	162.8 Å²	162.8	148.7 Å²	148.7	85%	0.852	76%	0.764	S	S	*	*			trans	-148.4	141.6	167.4	-72.7	176.1	0	0	0	112.5
2864	S	33.9	Very low	34.8	Very low	112.4 Å²	112.4	148.4 Å²	148.4	79%	0.786	76%	0.762	S	S	*	*			trans	174.1	132.6	158.2	46.5	0	0	0	0	114.4
2865	R	39.5	Very low	34.7	Very low	212.6 Å²	212.6	145.9 Å²	145.9	80%	0.802	76%	0.758	S	S	*	*				159.3	125.3	86	-150	-176.3	167.8	149.8	3.8	112.9
2866	E	36.9	Very low	34.8	Very low	142.2 Å²	142.2	145.3 Å²	145.3	66%	0.664	75%	0.754	S	S	*	*			trans	56.9	139	143.2	-59.7	159.6	-162.8	0	0	114.2
2867	L	33.8	Very low	34.8	Very low	151.6 Å²	151.6	145.4 Å²	145.4	79%	0.794	75%	0.754	S	S	*	*				171.6	128.6	58.5	-91.4	179.6	0	0	0	110.3
2868	L	38.1	Very low	34.8	Very low	156.2 Å²	156.2	144.6 Å²	144.6	82%	0.818	75%	0.75	S	S	*	*			trans	97.7	127.5	158.2	-73.9	167.8	0	0	0	112.3
2869	D	35.6	Very low	34.7	Very low	136 Å²	136	144 Å²	144	73%	0.727	75%	0.749	S	S	*	*			cis	84.4	118.8	36.6	-142.3	11.4	0	0	0	115.1
2870	E	34.7	Very low	34.7	Very low	170.4 Å²	170.4	146.8 Å²	146.8	80%	0.796	75%	0.754	S	S	*	*			trans	113.6	114.9	151.9	-79.5	-175.1	-179.6	0	0	115.9
2871	K	37.9	Very low	35.1	Very low	172.8 Å²	172.8	146.8 Å²	146.8	75%	0.751	75%	0.746	S	S	*	*			trans	91.7	108.1	136.3	-78.6	-80.3	169.1	-159.7	0	119.1
2872	E	29.7	Very low	35.1	Very low	132.6 Å²	132.6	152.1 Å²	152.1	62%	0.62	75%	0.752	S	S	*	*			trans	-16.8	157.8	141.9	-75.1	-167.7	133.7	0	0	116.3	L2572 E2573	L2572-E2872 WeakPolarHBondContact CA-OE2 3.01Å; L2572-E2872 HydrophobicContact CD2-CB 4.22Å; L2572-E2872 HydrophobicContact CD2-CG 3.81Å; E2573-E2872 PolarHBondContact N-OE2 3.14Å
2873	P	38.4	Very low	35.1	Very low	97 Å²	97	145.3 Å²	145.3	63%	0.63	74%	0.738	S	S	*	*				-127.3	171.3	-62.6	33.6	-18.6	0	0	0	115.6	L2572 E2573	L2572-P2873 HydrophobicContact CB-CB 3.53Å; L2572-P2873 HydrophobicContact CD2-CB 4.44Å; L2572-P2873 HydrophobicContact CG-CB 4.42Å; E2573-P2873 VanDerWaalsContact CA-CB 3.45Å; E2573-P2873 HydrophobicContact CB-CB 3.58Å; E2573-P2873 HydrophobicContact CB-CG 3.85Å; E2573-P2873 HydrophobicContact CG-CB 4.07Å; E2573-P2873 HydrophobicContact CG-CG 3.79Å; E2573-P2873 WeakPolarHBondContact OE1-CA 3.23Å; E2573-P2873 WeakPolarHBondContact OE1-CB 3.09Å; E2573-P2873 WeakPolarHBondContact OE1-CD 3.09Å; E2573-P2873 WeakPolarHBondContact OE1-CG 3.31Å; E2573-P2873 VanDerWaalsContact OE1-O 3.06Å
2874	E	35.1	Very low	35.2	Very low	175.4 Å²	175.4	146 Å²	146	82%	0.82	73%	0.731	S	S	*	*			trans	-150.5	141.5	145.8	-91.9	-171.1	179.7	0	0	114.9	E2573	E2573-E2874 WeakPolarHBondContact OE1-CA 2.93Å; E2573-E2874 WeakPolarHBondContact OE1-CG 2.89Å; E2573-E2874 PolarHBondContact OE1-N 3.4Å
2875	V	35.1	Very low	35.3	Very low	111.6 Å²	111.6	144.9 Å²	144.9	68%	0.676	72%	0.723	S	S	*	*			trans	-13	134.3	170.2	-106.8	0	0	0	0	120.1	E2573 Y2656 Q2877	E2573-V2875 HydrophobicContact CB-CB 4.45Å; E2573-V2875 HydrophobicContact CB-CG1 4.01Å; E2573-V2875 HydrophobicContact CB-CG2 4.26Å; Y2656-V2875 WeakPolarHBondContact OH-CA 3.39Å; Y2656-V2875 WeakPolarHBondContact OH-CG2 3.21Å; V2875-Q2877 PolarHBondContact O-N 3.37Å
2876	L	34.9	Very low	34.9	Very low	134.6 Å²	134.6	140.2 Å²	140.2	71%	0.705	72%	0.718	S	S	*	*				52.4	103.2	124.9	-109.9	165.9	0	0	0	114.8	Y2656 D2878	Y2656-L2876 HydrophobicContact CD1-CD2 3.53Å; Y2656-L2876 HydrophobicContact CD1-CG 4.07Å; Y2656-L2876 HydrophobicContact CE1-CD2 3.62Å; Y2656-L2876 HydrophobicContact CE1-CG 3.69Å; Y2656-L2876 HydrophobicContact CG-CD2 4.31Å; L2876-D2878 HydrophobicContact CD2-CB 4.01Å
2877	Q	38.1	Very low	34.5	Very low	161 Å²	161	139 Å²	139	75%	0.752	72%	0.723	S	S	*	*				-87.4	136.4	122.2	-96.3	174.9	21.3	0	0	112.9	P2655 Y2656 V2875 S2879	P2655-Q2877 WeakPolarHBondContact O-CA 3.26Å; P2655-Q2877 PolarHBondContact O-N 3.02Å; Y2656-Q2877 HydrophobicContact CD1-CB 4.17Å; Y2656-Q2877 HydrophobicContact CG-CB 3.84Å; Y2656-Q2877 HydrophobicContact CG-CG 4.32Å; V2875-Q2877 PolarHBondContact O-N 3.37Å; Q2877-S2879 PolarHBondContact O-N 2.92Å
2878	D	31.6	Very low	34.4	Very low	136 Å²	136	137.5 Å²	137.5	73%	0.727	73%	0.725	S	S	*	*				19.1	124	127.6	-89.8	-19.1	0	0	0	115.8	L2876 L2880	L2876-D2878 HydrophobicContact CD2-CB 4.01Å; D2878-L2880 PolarHBondContact O-N 2.99Å
2879	S	33.3	Very low	34	Very low	93.2 Å²	93.2	133.2 Å²	133.2	65%	0.652	72%	0.718	S	S	*	*				-116.2	131.8	117.6	32	0	0	0	0	112.8	Q2877 D2881	Q2877-S2879 PolarHBondContact O-N 2.92Å; S2879-D2881 VanDerWaalsContact C-N 3.28Å; S2879-D2881 PolarHBondContact O-N 3.26Å
2880	L	36.1	Very low	33.6	Very low	165.6 Å²	165.6	137.3 Å²	137.3	87%	0.867	73%	0.725	S	S	*	*			trans	-78.3	82.7	151.8	-78.5	174.2	0	0	0	113.7	D2878 R2882	D2878-L2880 PolarHBondContact O-N 2.99Å; L2880-R2882 WeakPolarHBondContact O-CB 3.2Å; L2880-R2882 PolarHBondContact O-N 3.36Å
2881	D	35.8	Very low	33.3	Very low	123.6 Å²	123.6	135.9 Å²	135.9	66%	0.661	72%	0.722	S	S	*	*			trans	-40.2	116.3	152.7	-110.2	-5.6	0	0	0	113.4	Y2581 Y2586 S2879 C2883	Y2581-D2881 WeakPolarHBondContact CE2-OD2 3.4Å; Y2581-D2881 PolarHBondContact OH-OD2 3.13Å; Y2586-D2881 WeakPolarHBondContact CE1-OD1 3.23Å; Y2586-D2881 VanDerWaalsContact CE2-OD2 3.23Å; Y2586-D2881 WeakPolarHBondContact CE2-OD2 3.37Å; Y2586-D2881 PolarHBondContact OH-O 3.22Å; Y2586-D2881 PolarHBondContact OH-OD1 2.77Å; Y2586-D2881 PolarHBondContact OH-OD2 3.34Å; S2879-D2881 VanDerWaalsContact C-N 3.28Å; S2879-D2881 PolarHBondContact O-N 3.26Å; D2881-C2883 PolarHBondContact O-N 3.12Å; D2881-C2883 VanDerWaalsContact O-N 3.14Å
2882	R	37.4	Very low	33	Very low	220.8 Å²	220.8	135.9 Å²	135.9	83%	0.833	73%	0.725	S	S	*	*				175.8	87.8	114.6	-153.9	178.5	-126.7	-133.7	-0.2	113.2	L2880	L2880-R2882 WeakPolarHBondContact O-CB 3.2Å; L2880-R2882 PolarHBondContact O-N 3.36Å
2883	C	31.1	Very low	33.4	Very low	83.6 Å²	83.6	136.7 Å²	136.7	57%	0.565	73%	0.733	S	S	*	*				82.6	0	97.1	-69.3	0	0	0	0	118.1	D2881	D2881-C2883 PolarHBondContact O-N 3.12Å; D2881-C2883 VanDerWaalsContact O-N 3.14Å
2884	Y	32.5	Very low	33.1	Very low	177.2 Å²	177.2	137.1 Å²	137.1	70%	0.695	74%	0.735	S	S	*	*				0	114.9	0	-63.2	-71.5	0	0	0	113.7	Y2586	Y2586-Y2884 AromaticContact CD1-CD2 3.21Å; Y2586-Y2884 HydrophobicContact CD1-CD2 3.21Å; Y2586-Y2884 AromaticContact CD1-CE2 3.67Å; Y2586-Y2884 HydrophobicContact CD1-CE2 3.67Å; Y2586-Y2884 AromaticContact CD1-CG 3.88Å; Y2586-Y2884 HydrophobicContact CD1-CG 3.88Å; Y2586-Y2884 AromaticContact CD2-CD2 3.71Å; Y2586-Y2884 HydrophobicContact CD2-CD2 3.71Å; Y2586-Y2884 HydrophobicContact CD2-CE1 4.4Å; Y2586-Y2884 AromaticContact CD2-CE2 3.26Å; Y2586-Y2884 HydrophobicContact CD2-CE2 3.26Å; Y2586-Y2884 HydrophobicContact CD2-CG 4.41Å; Y2586-Y2884 AromaticContact CD2-CZ 3.6Å; Y2586-Y2884 AromaticContact CE1-CD2 3.35Å; Y2586-Y2884 HydrophobicContact CE1-CD2 3.35Å; Y2586-Y2884 AromaticContact CE1-CE2 3.57Å; Y2586-Y2884 HydrophobicContact CE1-CE2 3.57Å; Y2586-Y2884 HydrophobicContact CE1-CG 4.41Å; Y2586-Y2884 AromaticContact CE2-CD2 3.89Å; Y2586-Y2884 HydrophobicContact CE2-CD2 3.89Å; Y2586-Y2884 AromaticContact CE2-CE2 3.23Å; Y2586-Y2884 HydrophobicContact CE2-CE2 3.23Å; Y2586-Y2884 AromaticContact CE2-CZ 3.84Å; Y2586-Y2884 HydrophobicContact CG-CD1 4.4Å; Y2586-Y2884 AromaticContact CG-CD2 3.32Å; Y2586-Y2884 HydrophobicContact CG-CD2 3.32Å; Y2586-Y2884 HydrophobicContact CG-CE1 4.46Å; Y2586-Y2884 AromaticContact CG-CE2 3.45Å; Y2586-Y2884 HydrophobicContact CG-CE2 3.45Å; Y2586-Y2884 VanDerWaalsContact CG-CE2 3.45Å; Y2586-Y2884 AromaticContact CG-CG 3.79Å; Y2586-Y2884 HydrophobicContact CG-CG 3.79Å; Y2586-Y2884 AromaticContact CG-CZ 3.98Å; Y2586-Y2884 AromaticContact CZ-CD2 3.66Å; Y2586-Y2884 AromaticContact CZ-CE2 3.33Å
2885	S	34.7	Very low	32.9	Very low	88.6 Å²	88.6	134.7 Å²	134.7	62%	0.62	73%	0.728	S	S	*	*				121.1	125.5	77.1	-68.5	0	0	0	0	116.6	L2588 E2589	L2588-S2885 WeakPolarHBondContact CA-OG 3.38Å; L2588-S2885 VanDerWaalsContact CB-CB 3.42Å; L2588-S2885 WeakPolarHBondContact CB-OG 3.46Å; L2588-S2885 VanDerWaalsContact CD1-CB 3.45Å; L2588-S2885 PolarHBondContact N-OG 3.37Å; L2588-S2885 VanDerWaalsContact N-OG 3.12Å; E2589-S2885 PolarHBondContact N-OG 2.91Å
2886	T	32.9	Very low	32.7	Very low	113.6 Å²	113.6	136.3 Å²	136.3	70%	0.697	73%	0.732	S	S	*	*			trans	-86.9	145.1	131.8	-35.6	0	0	0	0	114.9	I2587 L2588	I2587-T2886 HydrophobicContact CG1-CG2 4.05Å; I2587-T2886 WeakPolarHBondContact CG2-OG1 3.34Å; L2588-T2886 VanDerWaalsContact CA-OG1 3.25Å; L2588-T2886 WeakPolarHBondContact CA-OG1 3.23Å; L2588-T2886 WeakPolarHBondContact CB-OG1 3.44Å; L2588-T2886 VanDerWaalsContact CD2-CB 3.43Å; L2588-T2886 HydrophobicContact CD2-CG2 4.36Å; L2588-T2886 WeakPolarHBondContact CD2-OG1 3.16Å; L2588-T2886 WeakPolarHBondContact CG-OG1 3.38Å; L2588-T2886 VanDerWaalsContact N-N 3.14Å; L2588-T2886 PolarHBondContact N-OG1 3.48Å
2887	P	28.3	Very low	32.6	Very low	118.4 Å²	118.4	132.8 Å²	132.8	77%	0.769	73%	0.729	S	S	*	*			trans	-100.2	153.8	-169.3	32.5	-28	0	0	0	115.4
2888	S	30.8	Very low	32.4	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	73%	0.725	S	S	*	*			trans	162.7	140.5	149.8	68.5	0	0	0	0	113.4
2889	G	29.8	Very low	32.4	Very low	66 Å²	66	130.3 Å²	130.3	68%	0.68	72%	0.721	S	S	*	*			trans	137.6	130.9	160.2	0	0	0	0	0	113.6
2890	Y	27.2	Very low	32.1	Very low	222 Å²	222	135.7 Å²	135.7	87%	0.871	73%	0.728	S	S	*	*			trans	66.6	118	163.7	-70.8	-91.1	0	0	0	117.3
2891	L	28.6	Very low	31.8	Very low	140.2 Å²	140.2	132.7 Å²	132.7	73%	0.734	72%	0.721	S	S	*	*				82.1	101.8	107.9	-127.8	119	0	0	0	114	L2893	L2891-L2893 HydrophobicContact CD2-CD1 4.29Å
2892	E	31.7	Very low	31.5	Very low	172 Å²	172	131.7 Å²	131.7	80%	0.804	72%	0.724	S	S	*	*				173.5	121.7	115.2	-97.1	170.7	170.2	0	0	114.8
2893	L	38.4	Very low	31.2	Very low	150.4 Å²	150.4	125.6 Å²	125.6	79%	0.787	72%	0.721	S	S	*	*				-104.6	157.9	115.8	-73.1	155	0	0	0	111.6	L2891	L2891-L2893 HydrophobicContact CD2-CD1 4.29Å
2894	P	31.4	Very low	31.1	Very low	104.8 Å²	104.8	127 Å²	127	68%	0.681	73%	0.726	S	S	*	*			trans	-121.7	164	171	35.4	-21.2	0	0	0	115.8	G2082 C2083	G2082-P2894 WeakPolarHBondContact O-CG 3.01Å; C2083-P2894 VanDerWaalsContact O-CB 3.24Å; C2083-P2894 WeakPolarHBondContact O-CB 3.22Å
2895	D	31.6	Very low	31.2	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	74%	0.735	S	S	*	*			trans	154.3	131.9	131.5	-134.7	-5.3	0	0	0	117.4	G2082 C2083 L2084 Y2402 G2897	G2082-D2895 WeakPolarHBondContact CA-OD2 3.2Å; C2083-D2895 WeakPolarHBondContact CA-OD1 3.42Å; C2083-D2895 VanDerWaalsContact N-CB 3.25Å; C2083-D2895 PolarHBondContact N-OD1 2.64Å; C2083-D2895 VanDerWaalsContact N-OD1 3.13Å; C2083-D2895 PolarHBondContact N-OD2 2.7Å; L2084-D2895 PolarHBondContact N-OD1 3.3Å; L2084-D2895 WeakPolarHBondContact O-CA 3.26Å; L2084-D2895 PolarHBondContact O-N 3.06Å; Y2402-D2895 PolarHBondContact OH-O 3.43Å; D2895-G2897 VanDerWaalsContact C-N 3.34Å; D2895-G2897 PolarHBondContact O-N 3.07Å
2896	L	31.1	Very low	31.1	Very low	144.2 Å²	144.2	128.7 Å²	128.7	76%	0.755	73%	0.732	S	S	*	*			trans	-127.4	95.5	161.3	-100.1	165.7	0	0	0	115.4	L2084 L2403 Q2898	L2084-L2896 HydrophobicContact CB-CG 4.25Å; L2084-L2896 HydrophobicContact CD1-CD1 4.17Å; L2084-L2896 HydrophobicContact CD1-CD2 3.68Å; L2084-L2896 HydrophobicContact CD1-CG 3.7Å; L2084-L2896 HydrophobicContact CG-CD1 4.31Å; L2084-L2896 HydrophobicContact CG-CD2 4.47Å; L2084-L2896 HydrophobicContact CG-CG 3.95Å; L2403-L2896 HydrophobicContact CD1-CD2 4.1Å; L2896-Q2898 HydrophobicContact CD2-CG 3.88Å; L2896-Q2898 PolarHBondContact O-N 2.9Å; L2896-Q2898 VanDerWaalsContact O-N 3.1Å
2897	G	32.9	Very low	31.2	Very low	61.8 Å²	61.8	129.9 Å²	129.9	64%	0.637	73%	0.733	S	S	*	*			trans	-106.8	88.9	166.4	0	0	0	0	0	115.5	D2895	D2895-G2897 VanDerWaalsContact C-N 3.34Å; D2895-G2897 PolarHBondContact O-N 3.07Å
2898	Q	32.3	Very low	31.5	Very low	146.8 Å²	146.8	131.5 Å²	131.5	69%	0.686	73%	0.73	S	S	*	*			trans	62.6	155.6	137.7	-57.9	-83.6	-15.6	0	0	113.8	E2115 L2403 L2896	E2115-Q2898 VanDerWaalsContact OE1-CD 3.31Å; E2115-Q2898 PolarHBondContact OE1-NE2 2.87Å; E2115-Q2898 PolarHBondContact OE1-OE1 3.38Å; L2403-Q2898 HydrophobicContact CD1-CG 4.03Å; L2403-Q2898 HydrophobicContact CD2-CB 3.99Å; L2403-Q2898 HydrophobicContact CD2-CG 3.56Å; L2403-Q2898 HydrophobicContact CG-CG 4.45Å; L2896-Q2898 HydrophobicContact CD2-CG 3.88Å; L2896-Q2898 PolarHBondContact O-N 2.9Å; L2896-Q2898 VanDerWaalsContact O-N 3.1Å
2899	P	32.7	Very low	31.7	Very low	97 Å²	97	134 Å²	134	63%	0.63	73%	0.729	S	S	*	*				-130.8	174.7	-94.9	37.7	-20.9	0	0	0	115.4	S2901	P2899-S2901 PolarHBondContact O-N 2.9Å; P2899-S2901 VanDerWaalsContact O-N 3.15Å
2900	Y	27.3	Very low	31.7	Very low	207.2 Å²	207.2	138.6 Å²	138.6	81%	0.813	73%	0.732	S	S	*	*			trans	-13.6	132.4	153.9	-91.1	-104.5	0	0	0	116.3	V3148 Y3149	Y2900-V3148 HydrophobicContact CD1-CG1 4.26Å; Y2900-V3148 HydrophobicContact CE1-CG1 3.54Å; Y2900-V3148 HydrophobicContact CE2-CG1 4.3Å; Y2900-Y3149 AromaticContact CD1-CD1 3.58Å; Y2900-Y3149 HydrophobicContact CD1-CD1 3.58Å; Y2900-Y3149 AromaticContact CD1-CE1 3.44Å; Y2900-Y3149 HydrophobicContact CD1-CE1 3.44Å; Y2900-Y3149 VanDerWaalsContact CD1-CE1 3.44Å; Y2900-Y3149 AromaticContact CE1-CD1 3.83Å; Y2900-Y3149 HydrophobicContact CE1-CD1 3.83Å; Y2900-Y3149 AromaticContact CE1-CE1 3.93Å; Y2900-Y3149 HydrophobicContact CE1-CE1 3.93Å; Y2900-Y3149 HydrophobicContact CG-CD1 4.45Å; Y2900-Y3149 AromaticContact CG-CE1 3.87Å; Y2900-Y3149 HydrophobicContact CG-CE1 3.87Å
2901	S	28.3	Very low	31.7	Very low	101.6 Å²	101.6	138.2 Å²	138.2	71%	0.71	73%	0.731	S	S	*	*			trans	-173.2	113.1	147.2	121.3	0	0	0	0	115.1	P2899	P2899-S2901 PolarHBondContact O-N 2.9Å; P2899-S2901 VanDerWaalsContact O-N 3.15Å
2902	S	31.4	Very low	31.8	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	74%	0.737	S	S	*	*			trans	-170	129.3	145	60.9	0	0	0	0	113	Y3149	S2902-Y3149 VanDerWaalsContact N-CZ 3.3Å; S2902-Y3149 PolarHBondContact N-OH 3.1Å
2903	A	29.8	Very low	31.8	Very low	93 Å²	93	134 Å²	134	77%	0.769	73%	0.728	S	S	*	*			trans	59.3	127.8	147.3	0	0	0	0	0	113.1
2904	V	28.5	Very low	31.7	Very low	113 Å²	113	134.7 Å²	134.7	69%	0.685	73%	0.732	S	S	*	*				113.6	103.4	80.4	-167.9	0	0	0	0	112.7	E2119 K2759	E2119-V2904 WeakPolarHBondContact OE2-CG1 3.48Å; K2759-V2904 WeakPolarHBondContact CE-O 3.25Å; K2759-V2904 PolarHBondContact NZ-O 3.28Å
2905	Y	34.6	Very low	31.8	Very low	223.2 Å²	223.2	134 Å²	134	88%	0.875	74%	0.735	S	S	*	*			trans	-155.5	123.8	149.1	-90.8	-71	0	0	0	112.8	L2907	Y2905-L2907 PolarHBondContact O-N 3.4Å
2906	S	33.7	Very low	32	Very low	78.2 Å²	78.2	135.3 Å²	135.3	55%	0.547	74%	0.741	S	S	.	*			trans	-11.2	121.2	149.6	-31.4	0	0	0	0	115.1	G2409 Q2410 P2411 K2759	G2409-S2906 CarbonylContact O-C 3.06Å; Q2410-S2906 VanDerWaalsContact C-OG 3.3Å; Q2410-S2906 PolarHBondContact O-OG 3.17Å; P2411-S2906 WeakPolarHBondContact CD-OG 3.19Å; K2759-S2906 PolarHBondContact NZ-OG 3.38Å
2907	L	33.9	Very low	32.1	Very low	140 Å²	140	135.1 Å²	135.1	73%	0.733	74%	0.741	S	S	*	*				168.3	119.6	95.6	-153.7	147.6	0	0	0	111.8	G2409 Q2410 Y2905 E2909	G2409-L2907 CarbonylContact O-C 3.52Å; G2409-L2907 WeakPolarHBondContact O-CA 3.12Å; G2409-L2907 PolarHBondContact O-N 2.87Å; G2409-L2907 VanDerWaalsContact O-N 3.14Å; Q2410-L2907 HydrophobicContact CB-CD1 3.97Å; Q2410-L2907 HydrophobicContact CG-CD1 3.66Å; Q2410-L2907 HydrophobicContact CG-CG 3.92Å; Y2905-L2907 PolarHBondContact O-N 3.4Å; L2907-E2909 PolarHBondContact O-N 3.03Å
2908	E	35.7	Very low	32.4	Very low	151 Å²	151	137.8 Å²	137.8	71%	0.706	75%	0.745	S	S	*	*			trans	-50.4	113.6	174.7	-74.5	137.9	-158	0	0	115.2	L2408 G2409 Q2410	L2408-E2908 HydrophobicContact CD2-CB 4.42Å; L2408-E2908 HydrophobicContact CD2-CG 4.38Å; G2409-E2908 WeakPolarHBondContact O-CG 3.06Å; G2409-E2908 PolarHBondContact O-N 3.28Å; Q2410-E2908 HydrophobicContact CG-CB 3.72Å; Q2410-E2908 HydrophobicContact CG-CG 3.72Å; Q2410-E2908 WeakPolarHBondContact CG-OE2 3.49Å
2909	E	34.2	Very low	32.6	Very low	173.4 Å²	173.4	138 Å²	138	81%	0.81	75%	0.751	S	S	*	*			trans	-128.6	132.6	139.9	-82.6	-177.7	179.7	0	0	112.6	L2907 Y2911	L2907-E2909 PolarHBondContact O-N 3.03Å; E2909-Y2911 PolarHBondContact O-N 2.96Å
2910	Q	29.5	Very low	32.9	Very low	161.8 Å²	161.8	143.4 Å²	143.4	76%	0.756	76%	0.758	S	S	*	*			trans	-12.2	123.8	156	-115.1	175.9	-24.6	0	0	117.5	L2912	Q2910-L2912 PolarHBondContact O-N 2.91Å
2911	Y	28.5	Very low	33.4	Very low	212.6 Å²	212.6	140.2 Å²	140.2	83%	0.834	75%	0.754	S	S	*	*			trans	-1.1	122.7	147.9	-92.2	-105.6	0	0	0	116	E2909 G2913	E2909-Y2911 PolarHBondContact O-N 2.96Å; Y2911-G2913 PolarHBondContact O-N 3.01Å; Y2911-G2913 VanDerWaalsContact O-N 3.12Å
2912	L	31.2	Very low	33.6	Very low	163.8 Å²	163.8	142.5 Å²	142.5	86%	0.858	75%	0.751	S	S	*	*			trans	-102.4	110.3	144.6	-119	128.3	0	0	0	111.7	Q2910	Q2910-L2912 PolarHBondContact O-N 2.91Å
2913	G	31.2	Very low	34	Very low	61 Å²	61	146.3 Å²	146.3	63%	0.629	75%	0.754	S	S	*	*			trans	-94.5	135.8	165.8	0	0	0	0	0	111.5	Y2911	Y2911-G2913 PolarHBondContact O-N 3.01Å; Y2911-G2913 VanDerWaalsContact O-N 3.12Å
2914	L	35.6	Very low	34.3	Very low	165.2 Å²	165.2	147.3 Å²	147.3	87%	0.865	75%	0.747	S	S	*	*			trans	52.1	117.1	138.2	-59.2	170.4	0	0	0	113
2915	A	33.2	Very low	34.4	Very low	89.8 Å²	89.8	150.3 Å²	150.3	74%	0.742	75%	0.754	S	S	*	*				-150.2	151.2	77.7	0	0	0	0	0	113	D2917	A2915-D2917 PolarHBondContact O-N 3.32Å
2916	L	35.4	Very low	34.4	Very low	153.6 Å²	153.6	147.8 Å²	147.8	80%	0.804	75%	0.75	S	S	*	*			trans	33.5	135.8	159.7	-60.5	176.2	0	0	0	113.6	V2918	L2916-V2918 HydrophobicContact CD2-CG2 4.3Å; L2916-V2918 PolarHBondContact O-N 2.82Å; L2916-V2918 VanDerWaalsContact O-N 3.15Å
2917	D	34.9	Very low	34.4	Very low	141 Å²	141	151.7 Å²	151.7	75%	0.754	76%	0.76	S	S	*	*				-147.7	134.3	98.9	-107.5	-18.5	0	0	0	112.3	A2915	A2915-D2917 PolarHBondContact O-N 3.32Å
2918	V	38.5	Very low	34.5	Very low	118.2 Å²	118.2	153.1 Å²	153.1	72%	0.716	76%	0.762	S	S	*	*			trans	109.5	105.4	145.1	-173	0	0	0	0	113.5	L2916 R2920	L2916-V2918 HydrophobicContact CD2-CG2 4.3Å; L2916-V2918 PolarHBondContact O-N 2.82Å; L2916-V2918 VanDerWaalsContact O-N 3.15Å; V2918-R2920 CarbonylContact O-C 3.01Å; V2918-R2920 PolarHBondContact O-N 3.37Å
2919	D	37.3	Very low	34.5	Very low	151.2 Å²	151.2	155 Å²	155	81%	0.809	77%	0.771	S	S	*	*			trans	-99.9	148.2	161	-98.3	-38.1	0	0	0	115
2920	R	38.5	Very low	34.5	Very low	210.2 Å²	210.2	152.7 Å²	152.7	79%	0.793	77%	0.765	S	S	*	*			trans	-117.8	113.9	166.1	-123.1	177.5	176.8	-179.9	1	114.2	V2918 K2922	V2918-R2920 CarbonylContact O-C 3.01Å; V2918-R2920 PolarHBondContact O-N 3.37Å; R2920-K2922 PolarHBondContact O-N 3.06Å
2921	I	37.2	Very low	34.6	Very low	140.4 Å²	140.4	152.6 Å²	152.6	72%	0.72	76%	0.764	S	S	*	*			trans	-24.6	117.1	136.7	-59.8	172	0	0	0	110.3	K2923	I2921-K2923 HydrophobicContact CG2-CB 4.03Å; I2921-K2923 HydrophobicContact CG2-CD 4.13Å; I2921-K2923 HydrophobicContact CG2-CG 3.78Å; I2921-K2923 PolarHBondContact O-N 3.48Å
2922	K	33.8	Very low	34.7	Very low	148.8 Å²	148.8	145 Å²	145	65%	0.647	75%	0.75	S	S	*	*				-132	133.6	106.6	-108.7	173.1	-177.4	-127.8	0	109.5	R2920 D2924	R2920-K2922 PolarHBondContact O-N 3.06Å; K2922-D2924 IonicContact NZ-OD2 2.67Å; K2922-D2924 PolarHBondContact NZ-OD2 2.99Å
2923	K	38.6	Very low	35.2	Very low	182 Å²	182	141.9 Å²	141.9	79%	0.791	74%	0.74	S	S	*	*			trans	-145.6	119.1	141.3	-94.4	-176.6	170.7	-157	0	110	I2921	I2921-K2923 HydrophobicContact CG2-CB 4.03Å; I2921-K2923 HydrophobicContact CG2-CD 4.13Å; I2921-K2923 HydrophobicContact CG2-CG 3.78Å; I2921-K2923 PolarHBondContact O-N 3.48Å
2924	D	36.1	Very low	35.5	Very low	115 Å²	115	144.9 Å²	144.9	62%	0.615	75%	0.748	S	S	*	*			trans	-85.2	147.4	131.6	-60.1	-46.3	0	0	0	112.1	K2922 E2926	K2922-D2924 IonicContact NZ-OD2 2.67Å; K2922-D2924 PolarHBondContact NZ-OD2 2.99Å; D2924-E2926 PolarHBondContact O-N 3.46Å
2925	Q	31.8	Very low	35.2	Very low	176.6 Å²	176.6	142.4 Å²	142.4	83%	0.825	74%	0.743	S	S	*	*			trans	-58.2	138.4	-179.7	-67	173.7	-59.3	0	0	113.7	E2927	Q2925-E2927 HydrophobicContact CB-CB 4.3Å; Q2925-E2927 PolarHBondContact NE2-OE2 3.32Å
2926	E	34	Very low	35.4	Very low	169.6 Å²	169.6	143.5 Å²	143.5	79%	0.793	74%	0.743	S	S	*	*			trans	-150.8	133.1	131.6	-84.2	170.7	158.2	0	0	109.2	D2924 V3044	D2924-E2926 PolarHBondContact O-N 3.46Å; E2926-V3044 HydrophobicContact CG-CG2 4.14Å
2927	E	33.8	Very low	35.3	Very low	160.8 Å²	160.8	147.5 Å²	147.5	75%	0.751	75%	0.748	S	S	*	*				-7.7	122.9	74.7	-76.6	164.7	170.6	0	0	113	Q2925 P3042 E3043 V3044	Q2925-E2927 HydrophobicContact CB-CB 4.3Å; Q2925-E2927 PolarHBondContact NE2-OE2 3.32Å; E2927-P3042 WeakPolarHBondContact OE1-CB 3.4Å; E2927-P3042 WeakPolarHBondContact OE1-CG 3.3Å; E2927-E3043 PolarHBondContact OE1-N 2.95Å; E2927-E3043 PolarHBondContact OE2-N 2.74Å; E2927-V3044 HydrophobicContact CG-CG2 4.37Å; E2927-V3044 PolarHBondContact OE1-N 2.87Å; E2927-V3044 PolarHBondContact OE2-N 2.94Å
2928	E	36.6	Very low	35.2	Very low	169.6 Å²	169.6	148.6 Å²	148.6	79%	0.793	75%	0.753	S	S	*	*				-179.8	115	66.3	-157.2	170.7	-129	0	0	113.1	D2930 G3041 P3042	E2928-D2930 HydrophobicContact CG-CB 4.07Å; E2928-D2930 PolarHBondContact O-N 3.26Å; E2928-G3041 VanDerWaalsContact OE2-C 3.24Å; E2928-G3041 WeakPolarHBondContact OE2-CA 3.05Å; E2928-P3042 WeakPolarHBondContact OE2-CD 3.4Å
2929	E	33.7	Very low	35.1	Very low	189.6 Å²	189.6	148.4 Å²	148.4	89%	0.886	76%	0.756	S	S	*	*			trans	-102.6	118.1	170.2	-84.5	-168.6	128.8	0	0	112.3	K2435	K2435-E2929 IonicContact NZ-OE1 2.63Å; K2435-E2929 PolarHBondContact NZ-OE1 2.95Å
2930	D	34.4	Very low	35.3	Very low	126.4 Å²	126.4	150.7 Å²	150.7	68%	0.676	75%	0.754	S	S	*	*			trans	179.6	123.3	156.3	-150.9	18.7	0	0	0	115.6	K2435 E2928 G2932	K2435-D2930 VanDerWaalsContact CD-OD1 3.24Å; K2435-D2930 WeakPolarHBondContact CD-OD1 3.12Å; K2435-D2930 WeakPolarHBondContact CE-OD1 3.21Å; K2435-D2930 IonicContact NZ-OD1 2.69Å; K2435-D2930 PolarHBondContact NZ-OD1 3.16Å; E2928-D2930 HydrophobicContact CG-CB 4.07Å; E2928-D2930 PolarHBondContact O-N 3.26Å; D2930-G2932 PolarHBondContact O-N 3.36Å; D2930-G2932 PolarHBondContact OD1-N 2.94Å; D2930-G2932 VanDerWaalsContact OD1-N 3.1Å
2931	Q	32.8	Very low	35.2	Very low	158.2 Å²	158.2	147.4 Å²	147.4	74%	0.739	75%	0.747	S	S	*	*			trans	-102.7	116.6	158.4	-72	-102.8	-16.5	0	0	111.6	D2436 P2933 E3039	D2436-Q2931 VanDerWaalsContact OD2-CB 3.31Å; D2436-Q2931 WeakPolarHBondContact OD2-CB 3.46Å; Q2931-P2933 VanDerWaalsContact O-CD 3.31Å; Q2931-P2933 WeakPolarHBondContact O-CD 3.25Å; Q2931-E3039 PolarHBondContact NE2-O 3.03Å; Q2931-E3039 VanDerWaalsContact NE2-O 3.1Å
2932	G	30	Very low	35	Very low	53 Å²	53	147.6 Å²	147.6	55%	0.546	75%	0.749	S	S	.	*	P	Polyproline II helix	trans	-90.1	127.8	168.5	0	0	0	0	0	115.7	K2435 D2436 D2930	K2435-G2932 CarbonylContact O-C 3.14Å; K2435-G2932 WeakPolarHBondContact O-CA 3.42Å; K2435-G2932 PolarHBondContact O-N 3.25Å; D2436-G2932 VanDerWaalsContact OD2-CA 3.26Å; D2436-G2932 WeakPolarHBondContact OD2-CA 3.35Å; D2436-G2932 PolarHBondContact OD2-N 3.19Å; D2930-G2932 PolarHBondContact O-N 3.36Å; D2930-G2932 PolarHBondContact OD1-N 2.94Å; D2930-G2932 VanDerWaalsContact OD1-N 3.1Å
2933	P	41.9	Very low	35.1	Very low	99.6 Å²	99.6	147.7 Å²	147.7	65%	0.647	76%	0.756	S	S	*	*			trans	-85.5	144.7	170.1	16.9	-8.4	0	0	0	112.7	K2434 K2435 D2436 Q2931 C2935	K2434-P2933 HydrophobicContact CB-CB 3.87Å; K2434-P2933 HydrophobicContact CB-CG 4.43Å; K2435-P2933 WeakPolarHBondContact O-CD 3.46Å; K2435-P2933 VanDerWaalsContact O-CG 3.23Å; K2435-P2933 WeakPolarHBondContact O-CG 3.44Å; D2436-P2933 WeakPolarHBondContact O-CG 3.21Å; Q2931-P2933 VanDerWaalsContact O-CD 3.31Å; Q2931-P2933 WeakPolarHBondContact O-CD 3.25Å; P2933-C2935 PolarHBondContact O-N 3.03Å
2934	P	37.3	Very low	35	Very low	123.8 Å²	123.8	146.8 Å²	146.8	80%	0.804	76%	0.755	S	S	*	*			trans	-90.2	121.7	165.7	24.1	-22.9	0	0	0	112.6
2935	C	30.1	Very low	35	Very low	112.6 Å²	112.6	146.7 Å²	146.7	76%	0.761	76%	0.758	S	S	*	*			trans	-94.2	157.5	163.1	-77.7	0	0	0	0	111.7	P2933	P2933-C2935 PolarHBondContact O-N 3.03Å
2936	P	36.6	Very low	35.2	Very low	113 Å²	113	144.2 Å²	144.2	73%	0.734	75%	0.754	S	S	*	*			trans	-111.6	148.4	-178.4	28.7	-18.8	0	0	0	114.9
2937	R	33.1	Very low	35.3	Very low	238.8 Å²	238.8	143.9 Å²	143.9	90%	0.901	75%	0.753	S	S	*	*			trans	100.6	136.1	156.5	-69.5	-176.9	167.6	144.5	-0.2	114.4
2938	L	33.2	Very low	35.6	Very low	163.8 Å²	163.8	141.3 Å²	141.3	86%	0.858	75%	0.75	S	S	*	*				-127.5	149.1	100	-70.7	175.4	0	0	0	111.3
2939	S	37.2	Very low	35.5	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	75%	0.75	S	S	*	*			trans	-121.6	125.9	152.9	61.1	0	0	0	0	112.3
2940	R	41.2	Very low	35.6	Very low	199.4 Å²	199.4	138.4 Å²	138.4	75%	0.752	74%	0.744	S	S	*	*				145.4	119.1	126.8	-155.7	174.8	179.2	161.9	4.4	114.6	E2947	R2940-E2947 PolarHBondContact NH1-O 3.3Å; R2940-E2947 PolarHBondContact NH2-O 2.55Å; R2940-E2947 VanDerWaalsContact NH2-O 3.09Å
2941	E	35.5	Very low	35.6	Very low	139.8 Å²	139.8	139 Å²	139	65%	0.653	75%	0.747	S	S	*	*				73.4	122.6	116.2	-97.2	171.3	161.8	0	0	116.2
2942	L	33.4	Very low	35.8	Very low	145.2 Å²	145.2	139.2 Å²	139.2	76%	0.76	75%	0.748	S	S	*	*				117.7	147.1	127.6	-103.4	131.4	0	0	0	117.1	P2446 E2944 V2945	P2446-L2942 HydrophobicContact CG-CD1 4.26Å; P2446-L2942 HydrophobicContact CG-CD2 3.84Å; L2942-E2944 VanDerWaalsContact C-N 3.34Å; L2942-E2944 VanDerWaalsContact CB-O 3.31Å; L2942-E2944 WeakPolarHBondContact CB-O 3.23Å; L2942-E2944 WeakPolarHBondContact CD1-O 3.3Å; L2942-E2944 WeakPolarHBondContact CD2-O 3.12Å; L2942-E2944 PolarHBondContact O-N 3.21Å; L2942-E2944 VanDerWaalsContact O-N 3.16Å; L2942-V2945 HydrophobicContact CD1-CB 4.23Å; L2942-V2945 WeakPolarHBondContact CD1-O 2.94Å
2943	L	36.4	Very low	36.1	Very low	151.8 Å²	151.8	142.8 Å²	142.8	80%	0.795	76%	0.755	S	S	*	*			trans	-40.6	120.8	166.8	-123.6	133.3	0	0	0	114	V2945	L2943-V2945 HydrophobicContact CD2-CG2 4.04Å
2944	E	36.6	Very low	35.6	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	75%	0.753	S	S	*	*			trans	-144.6	131.2	139.8	-119.1	178.2	156.6	0	0	112.9	P2446 C2447 L2942	P2446-E2944 WeakPolarHBondContact CG-O 3.49Å; C2447-E2944 WeakPolarHBondContact CB-OE1 3.41Å; L2942-E2944 VanDerWaalsContact C-N 3.34Å; L2942-E2944 VanDerWaalsContact CB-O 3.31Å; L2942-E2944 WeakPolarHBondContact CB-O 3.23Å; L2942-E2944 WeakPolarHBondContact CD1-O 3.3Å; L2942-E2944 WeakPolarHBondContact CD2-O 3.12Å; L2942-E2944 PolarHBondContact O-N 3.21Å; L2942-E2944 VanDerWaalsContact O-N 3.16Å
2945	V	36	Very low	35.5	Very low	112 Å²	112	143.6 Å²	143.6	68%	0.679	75%	0.753	S	S	*	*			trans	175.5	117.2	173.2	171	0	0	0	0	113	P2446 L2942 L2943	P2446-V2945 HydrophobicContact CB-CB 4.23Å; P2446-V2945 HydrophobicContact CB-CG2 3.68Å; P2446-V2945 HydrophobicContact CG-CB 4.06Å; P2446-V2945 HydrophobicContact CG-CG2 3.94Å; L2942-V2945 HydrophobicContact CD1-CB 4.23Å; L2942-V2945 WeakPolarHBondContact CD1-O 2.94Å; L2943-V2945 HydrophobicContact CD2-CG2 4.04Å
2946	V	36.7	Very low	35.7	Very low	124 Å²	124	144 Å²	144	75%	0.752	75%	0.747	S	S	*	*			trans	-102.1	130.8	131.8	-177.6	0	0	0	0	112
2947	E	36	Very low	35.7	Very low	164 Å²	164	147.5 Å²	147.5	77%	0.766	75%	0.746	S	S	*	*			trans	-122.8	155.8	130.5	-115.9	172.6	165.6	0	0	112.7	R2940	R2940-E2947 PolarHBondContact NH1-O 3.3Å; R2940-E2947 PolarHBondContact NH2-O 2.55Å; R2940-E2947 VanDerWaalsContact NH2-O 3.09Å
2948	P	38.3	Very low	35.6	Very low	105 Å²	105	140.5 Å²	140.5	68%	0.682	73%	0.733	S	S	*	*				-128.6	139.6	94.6	38.2	-22.2	0	0	0	115	V2950	P2948-V2950 VanDerWaalsContact C-N 3.3Å; P2948-V2950 PolarHBondContact O-N 2.88Å
2949	E	34.9	Very low	35.7	Very low	172.2 Å²	172.2	141.3 Å²	141.3	81%	0.805	73%	0.726	S	S	*	*			trans	-46.8	128.2	153.5	-66.4	-163.5	149.6	0	0	115.3	L2951	E2949-L2951 PolarHBondContact O-N 3.05Å; E2949-L2951 VanDerWaalsContact O-N 3.1Å
2950	V	36.4	Very low	35.5	Very low	126.4 Å²	126.4	140.4 Å²	140.4	77%	0.766	72%	0.72	S	S	*	*			trans	-79.7	107.2	143.1	-92.5	0	0	0	0	115.1	P2948	P2948-V2950 VanDerWaalsContact C-N 3.3Å; P2948-V2950 PolarHBondContact O-N 2.88Å
2951	L	34.4	Very low	35.2	Very low	138.6 Å²	138.6	136.9 Å²	136.9	73%	0.726	72%	0.72	S	S	*	*				79.8	129.2	125.3	-107.1	169.3	0	0	0	116.8	E2949 D2953	E2949-L2951 PolarHBondContact O-N 3.05Å; E2949-L2951 VanDerWaalsContact O-N 3.1Å; L2951-D2953 PolarHBondContact O-N 2.81Å; L2951-D2953 VanDerWaalsContact O-N 3.14Å
2952	Q	37.4	Very low	35	Very low	162.8 Å²	162.8	135.9 Å²	135.9	76%	0.761	73%	0.726	S	S	*	*			trans	68	141.7	154.7	-77.6	158.5	20.8	0	0	114.2
2953	D	35	Very low	34.9	Very low	129.6 Å²	129.6	134.1 Å²	134.1	69%	0.693	73%	0.725	S	S	*	*				-132.4	148.4	71.9	-130.7	-20	0	0	0	115.3	L2951 L2955	L2951-D2953 PolarHBondContact O-N 2.81Å; L2951-D2953 VanDerWaalsContact O-N 3.14Å; D2953-L2955 HydrophobicContact CB-CG 4.26Å; D2953-L2955 PolarHBondContact O-N 3.29Å; D2953-L2955 VanDerWaalsContact O-N 3.14Å
2954	S	31.4	Very low	34.5	Very low	87.2 Å²	87.2	132 Å²	132	61%	0.61	72%	0.723	S	S	*	*			trans	-58.5	103.6	155.6	21.6	0	0	0	0	115	F2341	F2341-S2954 VanDerWaalsContact CB-OG 3.25Å; F2341-S2954 WeakPolarHBondContact CB-OG 2.95Å; F2341-S2954 WeakPolarHBondContact CD2-OG 3.39Å
2955	L	35	Very low	34	Very low	152.6 Å²	152.6	129.5 Å²	129.5	80%	0.799	72%	0.723	S	S	*	*				21.3	127.7	104.8	-74.2	176.6	0	0	0	115.9	D2953 R2957	D2953-L2955 HydrophobicContact CB-CG 4.26Å; D2953-L2955 PolarHBondContact O-N 3.29Å; D2953-L2955 VanDerWaalsContact O-N 3.14Å; L2955-R2957 PolarHBondContact O-N 3.23Å
2956	D	34.8	Very low	33.7	Very low	120.6 Å²	120.6	131.3 Å²	131.3	65%	0.645	73%	0.728	S	S	*	*			trans	45.5	118.1	159	-96.6	-11.3	0	0	0	117.7
2957	R	37.3	Very low	33.3	Very low	186 Å²	186	133.3 Å²	133.3	70%	0.702	73%	0.729	S	S	*	*				76.5	125.9	92.6	-129.2	166.4	-140.8	-175.1	-2.7	117.3	L2955 Y2959	L2955-R2957 PolarHBondContact O-N 3.23Å; R2957-Y2959 HydrophobicContact CG-CD2 3.51Å; R2957-Y2959 HydrophobicContact CG-CE2 3.63Å
2958	C	30	Very low	33.1	Very low	93.2 Å²	93.2	134 Å²	134	63%	0.63	73%	0.732	S	S	*	*			trans	61.4	130.3	144.5	-68.4	0	0	0	0	117.3	S2960	C2958-S2960 PolarHBondContact O-N 2.77Å
2959	Y	36.5	Very low	32.8	Very low	180.6 Å²	180.6	133.8 Å²	133.8	71%	0.708	73%	0.731	S	S	*	*				-169.1	131	124.3	-79.3	-89.1	0	0	0	110.7	R2957	R2957-Y2959 HydrophobicContact CG-CD2 3.51Å; R2957-Y2959 HydrophobicContact CG-CE2 3.63Å
2960	S	32.7	Very low	32.7	Very low	95.2 Å²	95.2	133.1 Å²	133.1	67%	0.666	73%	0.733	S	S	*	*			trans	-143.8	130.4	177.8	-68.2	0	0	0	0	112.9	C2958	C2958-S2960 PolarHBondContact O-N 2.77Å
2961	T	34.5	Very low	32.4	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	73%	0.733	S	S	*	*			trans	-58.8	144.8	165.8	-1.4	0	0	0	0	114.3	S2963	T2961-S2963 PolarHBondContact O-N 2.9Å
2962	P	31.1	Very low	32.2	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	74%	0.736	S	S	*	*			trans	-107.9	152.1	-156.4	30.5	-18.3	0	0	0	112.4
2963	S	30.9	Very low	31.8	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	74%	0.739	S	S	*	*			trans	-98.8	136.7	161	40.9	0	0	0	0	112.7	T2961	T2961-S2963 PolarHBondContact O-N 2.9Å
2964	S	28.1	Very low	31.7	Very low	107.6 Å²	107.6	130.6 Å²	130.6	75%	0.752	74%	0.738	S	S	*	*			cis	174.9	126.1	22.4	58.3	0	0	0	0	113.9
2965	C	27.3	Very low	31.6	Very low	110.2 Å²	110.2	137.3 Å²	137.3	75%	0.745	75%	0.751	S	S	*	*			trans	52.4	123.3	142.9	51.5	0	0	0	0	114.7
2966	L	28.9	Very low	31.3	Very low	151.4 Å²	151.4	132.8 Å²	132.8	79%	0.793	74%	0.741	S	S	*	*				99.8	141.1	117.3	-77	173.2	0	0	0	112.9
2967	E	28.3	Very low	30.9	Very low	165.4 Å²	165.4	132.4 Å²	132.4	77%	0.773	75%	0.748	S	S	*	*			trans	36.7	129	151.5	-73	167.5	109.1	0	0	116.3
2968	Q	31.6	Very low	30.5	Very low	177.4 Å²	177.4	127.8 Å²	127.8	83%	0.829	74%	0.744	S	S	*	*				-114.2	160.2	94.4	-83.3	-169.4	-38.4	0	0	113.3
2969	P	33.2	Very low	30.5	Very low	101.8 Å²	101.8	132.4 Å²	132.4	66%	0.661	75%	0.754	S	S	*	*			trans	-115	172.1	-140.5	38.4	-27.4	0	0	0	113.6	S2971	P2969-S2971 PolarHBondContact O-N 2.85Å
2970	D	31.8	Very low	30.2	Very low	158.2 Å²	158.2	134 Å²	134	85%	0.846	76%	0.761	S	S	*	*			trans	-159.6	109.6	147.5	-92.4	-36.9	0	0	0	113	C2972	D2970-C2972 VanDerWaalsContact C-N 3.32Å; D2970-C2972 PolarHBondContact O-N 3.43Å
2971	S	30.6	Very low	30.2	Very low	111.2 Å²	111.2	133.7 Å²	133.7	78%	0.778	76%	0.763	S	S	*	*			trans	-142.1	128.4	153.6	64.3	0	0	0	0	113.5	P2969	P2969-S2971 PolarHBondContact O-N 2.85Å
2972	C	29.5	Very low	30.4	Very low	115.2 Å²	115.2	134.9 Å²	134.9	78%	0.778	76%	0.764	S	S	*	*			trans	-72.2	133.8	173.3	-56.7	0	0	0	0	116.3	D2970 P2974	D2970-C2972 VanDerWaalsContact C-N 3.32Å; D2970-C2972 PolarHBondContact O-N 3.43Å; C2972-P2974 WeakPolarHBondContact O-CD 3.07Å
2973	Q	28.7	Very low	30.7	Very low	175.8 Å²	175.8	136 Å²	136	82%	0.821	76%	0.759	S	S	*	*			trans	-15.5	145.3	139	-75.3	-104.5	-22	0	0	115	Y2975	Q2973-Y2975 PolarHBondContact O-N 3.44Å
2974	P	34	Very low	31	Very low	102.8 Å²	102.8	139 Å²	139	67%	0.668	76%	0.761	S	S	*	*			trans	-111.1	143.9	166.5	30.5	-18	0	0	0	114.1	C2972	C2972-P2974 WeakPolarHBondContact O-CD 3.07Å
2975	Y	29.2	Very low	31.3	Very low	226.4 Å²	226.4	141.4 Å²	141.4	89%	0.888	76%	0.758	S	S	*	*			trans	-125.4	137.5	168	-136.6	-94.4	0	0	0	113.3	Q2973	Q2973-Y2975 PolarHBondContact O-N 3.44Å
2976	G	28.3	Very low	31.6	Very low	58 Å²	58	144 Å²	144	60%	0.598	76%	0.759	S	S	*	*			trans	-115.6	162.7	177.9	0	0	0	0	0	114.2
2977	S	27	Very low	31.8	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	76%	0.76	S	S	*	*			trans	64.6	95.2	173.4	67.2	0	0	0	0	116.7
2978	S	29	Very low	31.9	Very low	89.8 Å²	89.8	137.7 Å²	137.7	63%	0.628	75%	0.748	S	S	*	*				151.3	131.9	123.1	57.1	0	0	0	0	115.9	Y2980	S2978-Y2980 PolarHBondContact O-N 3.42Å
2979	F	28.7	Very low	31.9	Very low	190 Å²	190	138.8 Å²	138.8	83%	0.833	75%	0.751	S	S	*	*				95.3	133.2	126	-81.4	-76.5	0	0	0	115.3
2980	Y	31.4	Very low	31.9	Very low	215.6 Å²	215.6	139.3 Å²	139.3	85%	0.845	76%	0.757	S	S	*	*			trans	-146.2	115.6	163.6	-65.7	-83.8	0	0	0	110	S2978	S2978-Y2980 PolarHBondContact O-N 3.42Å
2981	A	32.8	Very low	31.9	Very low	87.8 Å²	87.8	138.6 Å²	138.6	73%	0.726	75%	0.752	S	S	*	*				86.8	102.8	75	0	0	0	0	0	112.6
2982	L	37.8	Very low	32.3	Very low	150.2 Å²	150.2	140.2 Å²	140.2	79%	0.786	75%	0.752	S	S	*	*			trans	-144	140.3	150.8	-79.1	177.7	0	0	0	109.8
2983	E	38.3	Very low	32.6	Very low	141.8 Å²	141.8	140.4 Å²	140.4	66%	0.663	75%	0.749	S	S	*	*				56.1	94.7	116.4	-77.6	177.9	179.3	0	0	114.3	K2985	E2983-K2985 PolarHBondContact O-N 2.99Å; E2983-K2985 IonicContact OE1-NZ 2.74Å; E2983-K2985 WeakPolarHBondContact OE2-CE 3.18Å; E2983-K2985 IonicContact OE2-NZ 2.77Å; E2983-K2985 PolarHBondContact OE2-NZ 3.37Å
2984	E	37.4	Very low	33.1	Very low	170.6 Å²	170.6	135.3 Å²	135.3	80%	0.797	74%	0.744	S	S	*	*			trans	-75.1	132.7	133.6	-168	-174.2	175.7	0	0	112.3
2985	K	33.5	Very low	33.3	Very low	157.8 Å²	157.8	138.1 Å²	138.1	69%	0.686	75%	0.748	S	S	*	*			trans	-113.4	130.8	179.6	-82.2	160.7	-174.5	156.8	0	113.2	E2983 V2987	E2983-K2985 PolarHBondContact O-N 2.99Å; E2983-K2985 IonicContact OE1-NZ 2.74Å; E2983-K2985 WeakPolarHBondContact OE2-CE 3.18Å; E2983-K2985 IonicContact OE2-NZ 2.77Å; E2983-K2985 PolarHBondContact OE2-NZ 3.37Å; K2985-V2987 PolarHBondContact O-N 3.41Å
2986	H	34.1	Very low	33.9	Very low	165.6 Å²	165.6	134 Å²	134	77%	0.767	74%	0.74	S	S	*	*			trans	-15.9	134.9	169.9	-60.3	-68.5	0	0	0	116.1
2987	V	31.9	Very low	34.5	Very low	133.2 Å²	133.2	138.7 Å²	138.7	81%	0.807	75%	0.746	S	S	*	*				-175.9	135.5	103.6	174.6	0	0	0	0	113.6	K2985 F2989	K2985-V2987 PolarHBondContact O-N 3.41Å; V2987-F2989 HydrophobicContact CG1-CE2 3.97Å
2988	G	30.8	Very low	35.2	Very low	51.2 Å²	51.2	141.7 Å²	141.7	53%	0.528	75%	0.745	S	S	.	*			trans	111.1	129.1	153.1	0	0	0	0	0	115.1
2989	F	31.3	Very low	35.8	Very low	200.8 Å²	200.8	146.3 Å²	146.3	88%	0.881	75%	0.754	S	S	*	*				-94.8	129.8	116.1	-70.8	-88.5	0	0	0	110.3	V2987 L2991	V2987-F2989 HydrophobicContact CG1-CE2 3.97Å; F2989-L2991 HydrophobicContact CD1-CD1 4.29Å; F2989-L2991 HydrophobicContact CD1-CG 4.48Å
2990	S	33	Very low	36.2	Very low	112.2 Å²	112.2	140.8 Å²	140.8	79%	0.785	75%	0.751	S	S	*	*			trans	-94.2	118.5	135	-61.5	0	0	0	0	112.3
2991	L	33.7	Very low	36.3	Very low	142 Å²	142	140.5 Å²	140.5	74%	0.743	75%	0.754	S	S	*	*				41.2	131.2	114.4	-80.8	171.4	0	0	0	114.7	F2989 V2993	F2989-L2991 HydrophobicContact CD1-CD1 4.29Å; F2989-L2991 HydrophobicContact CD1-CG 4.48Å; L2991-V2993 HydrophobicContact CD2-CG2 4.2Å
2992	D	37.5	Very low	36.6	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	76%	0.756	S	S	*	*				-128.5	164.5	98	-162.1	11	0	0	0	111.5
2993	V	37	Very low	36.7	Very low	119.4 Å²	119.4	141.9 Å²	141.9	72%	0.724	76%	0.758	S	S	*	*			trans	-136	110.9	170.3	-178.5	0	0	0	0	111.9	L2991 E2995	L2991-V2993 HydrophobicContact CD2-CG2 4.2Å; V2993-E2995 PolarHBondContact O-N 3.4Å
2994	G	39.6	Very low	36.6	Very low	68 Å²	68	143 Å²	143	70%	0.701	76%	0.761	S	S	*	*			trans	-127.8	102.8	167.9	0	0	0	0	0	114.2
2995	E	38	Very low	36.5	Very low	161.4 Å²	161.4	144.3 Å²	144.3	75%	0.754	76%	0.759	S	S	*	*			trans	-47.8	135.7	170.4	-62.8	-165.2	114.7	0	0	116.2	V2993	V2993-E2995 PolarHBondContact O-N 3.4Å
2996	I	40.5	Very low	36.6	Very low	141 Å²	141	147.7 Å²	147.7	72%	0.723	77%	0.767	S	S	*	*			trans	-117.5	122.9	137.6	9.9	167.2	0	0	0	114.9	K2998	I2996-K2998 HydrophobicContact CB-CG 4.45Å; I2996-K2998 PolarHBondContact O-N 3.31Å; I2996-K2998 VanDerWaalsContact O-N 3.1Å
2997	E	40.4	Very low	36.8	Very low	155.8 Å²	155.8	143.4 Å²	143.4	73%	0.728	77%	0.767	S	S	*	*			trans	-65.7	115.7	164.3	-82.2	-136.7	109.1	0	0	114.5	K2999	E2997-K2999 VanDerWaalsContact CD-CE 3.48Å; E2997-K2999 PolarHBondContact O-N 3.25Å; E2997-K2999 WeakPolarHBondContact OE1-CE 3.17Å; E2997-K2999 IonicContact OE1-NZ 2.63Å; E2997-K2999 PolarHBondContact OE1-NZ 3.19Å; E2997-K2999 WeakPolarHBondContact OE2-CE 3.15Å; E2997-K2999 IonicContact OE2-NZ 3.11Å; E2997-K2999 PolarHBondContact OE2-NZ 3.45Å
2998	K	42.4	Very low	37.3	Very low	175 Å²	175	148.3 Å²	148.3	76%	0.761	77%	0.771	S	S	*	*			trans	-139.5	110.9	142.4	-75.1	174.2	-179.2	159.3	0	113.8	I2996 G3000	I2996-K2998 HydrophobicContact CB-CG 4.45Å; I2996-K2998 PolarHBondContact O-N 3.31Å; I2996-K2998 VanDerWaalsContact O-N 3.1Å; K2998-G3000 VanDerWaalsContact C-N 3.29Å; K2998-G3000 PolarHBondContact O-N 3.03Å
2999	K	41.1	Very low	37.6	Very low	187 Å²	187	157.2 Å²	157.2	81%	0.813	79%	0.789	S	S	*	*			trans	-100	102	166.9	-68.2	176.8	178.2	158.8	0	114.7	E2997	E2997-K2999 VanDerWaalsContact CD-CE 3.48Å; E2997-K2999 PolarHBondContact O-N 3.25Å; E2997-K2999 WeakPolarHBondContact OE1-CE 3.17Å; E2997-K2999 IonicContact OE1-NZ 2.63Å; E2997-K2999 PolarHBondContact OE1-NZ 3.19Å; E2997-K2999 WeakPolarHBondContact OE2-CE 3.15Å; E2997-K2999 IonicContact OE2-NZ 3.11Å; E2997-K2999 PolarHBondContact OE2-NZ 3.45Å
3000	G	37.5	Very low	38.1	Very low	75 Å²	75	152.8 Å²	152.8	77%	0.773	78%	0.783	S	S	*	*			trans	-93.7	115.8	172.4	0	0	0	0	0	115.9	K2998	K2998-G3000 VanDerWaalsContact C-N 3.29Å; K2998-G3000 PolarHBondContact O-N 3.03Å
3001	K	34.4	Very low	38.5	Very low	209.25 Å²	209.25	157.2 Å²	157.2	91%	0.91	79%	0.788	S	S	*	*			trans	-10.1	113.5	163	-63.3	177.4	179.7	173.9	0	115
3002	G	39.3	Very low	38.9	Very low	73.75 Å²	73.75	159.4 Å²	159.4	76%	0.76	79%	0.791	S	S	*	*			trans	-175.6	116	171.7	0	0	0	0	0	116.2
3003	K	38.3	Very low	38.9	Very low	193.5 Å²	193.5	159 Å²	159	84%	0.841	79%	0.785	S	S	*	*				-151	120	106.7	-90.7	179.6	-174.6	174.3	0	111.1
3004	K	36.5	Very low	39.1	Very low	164.75 Å²	164.75	162.8 Å²	162.8	72%	0.716	79%	0.786	S	S	*	*				94.9	138.6	116	-67.5	-179.9	-179.2	-179.2	0	111	L2503 D2504	L2503-K3004 PolarHBondContact O-NZ 2.92Å; D2504-K3004 HydrophobicContact CB-CD 3.75Å; D2504-K3004 HydrophobicContact CB-CG 4.04Å
3005	R	36	Very low	39	Very low	198.5 Å²	198.5	169.6 Å²	169.6	75%	0.749	79%	0.791	S	S	*	*			cis	-176.8	146.5	26.1	-93.1	169.4	170.6	175.8	-4.6	113.9
3006	R	34.5	Very low	39.1	Very low	228.75 Å²	228.75	171.6 Å²	171.6	86%	0.863	79%	0.791	S	S	*	*			trans	47.8	122.2	133.1	-62.9	174.4	177.2	-179	-3.6	116.5
3007	G	38.5	Very low	38.8	Very low	74.75 Å²	74.75	168.4 Å²	168.4	77%	0.771	79%	0.793	S	S	*	*				134.2	102.7	75.9	0	0	0	0	0	114.9
3008	R	42.3	Very low	38.8	Very low	236.75 Å²	236.75	170.7 Å²	170.7	89%	0.893	80%	0.795	S	S	*	*			trans	-135.7	125.1	162.5	-75.2	-179.7	174.5	-176.2	-2.7	111.3
3009	R	38.8	Very low	38.4	Very low	238.5 Å²	238.5	171.2 Å²	171.2	90%	0.9	80%	0.797	S	S	*	*				61.8	110.4	124.3	-69.9	-173.1	175.5	-176.1	-2.5	115.4
3010	S	41.5	Very low	38.3	Very low	107 Å²	107	169.1 Å²	169.1	75%	0.748	79%	0.79	S	S	*	*				-164.2	142.7	127	53.9	0	0	0	0	111.9
3011	K	41	Very low	38.2	Very low	204.5 Å²	204.5	168.9 Å²	168.9	89%	0.889	79%	0.788	S	S	*	*			trans	33	116.1	166.7	-61.3	-179.3	177.4	-178.7	0	115.8	E3013	K3011-E3013 PolarHBondContact O-N 3.06Å
3012	K	41.2	Very low	38.3	Very low	189 Å²	189	167.9 Å²	167.9	82%	0.822	79%	0.786	S	S	*	*			trans	-124	121	134.1	-139.8	-176.3	-179	-172.3	0	109.9	R3014	K3012-R3014 PolarHBondContact O-N 3Å
3013	E	37.2	Very low	38.1	Very low	136.5 Å²	136.5	173 Å²	173	64%	0.638	79%	0.791	S	S	*	*			trans	-96.4	133	177.9	-172.1	175.5	155.4	0	0	110.9	K3011 R3015	K3011-E3013 PolarHBondContact O-N 3.06Å; E3013-R3015 HydrophobicContact CG-CG 4.36Å; E3013-R3015 WeakPolarHBondContact OE1-CD 3.21Å; E3013-R3015 IonicContact OE1-CZ 3.61Å; E3013-R3015 VanDerWaalsContact OE1-CZ 3.28Å; E3013-R3015 IonicContact OE1-NE 3.17Å; E3013-R3015 PolarHBondContact OE1-NE 3.44Å; E3013-R3015 IonicContact OE1-NH1 2.72Å; E3013-R3015 PolarHBondContact OE1-NH1 3.05Å; E3013-R3015 IonicContact OE1-NH2 2.94Å; E3013-R3015 PolarHBondContact OE1-NH2 3.26Å
3014	R	41.5	Very low	37.9	Very low	200.5 Å²	200.5	170.5 Å²	170.5	76%	0.757	79%	0.787	S	S	*	*			trans	-127.9	107	162.5	-119.8	-178	102.7	158.9	0.1	112.7	K3012 R3016	K3012-R3014 PolarHBondContact O-N 3Å; R3014-R3016 PolarHBondContact O-N 3.5Å
3015	R	39.2	Very low	38	Very low	210.25 Å²	210.25	169.6 Å²	169.6	79%	0.793	79%	0.785	S	S	*	*			trans	-89.1	137.2	132.8	-70.4	-175.6	179	-177.2	-5.9	109.7	E3013	E3013-R3015 HydrophobicContact CG-CG 4.36Å; E3013-R3015 WeakPolarHBondContact OE1-CD 3.21Å; E3013-R3015 IonicContact OE1-CZ 3.61Å; E3013-R3015 VanDerWaalsContact OE1-CZ 3.28Å; E3013-R3015 IonicContact OE1-NE 3.17Å; E3013-R3015 PolarHBondContact OE1-NE 3.44Å; E3013-R3015 IonicContact OE1-NH1 2.72Å; E3013-R3015 PolarHBondContact OE1-NH1 3.05Å; E3013-R3015 IonicContact OE1-NH2 2.94Å; E3013-R3015 PolarHBondContact OE1-NH2 3.26Å
3016	R	38.4	Very low	37.9	Very low	204 Å²	204	167 Å²	167	77%	0.77	79%	0.786	S	S	*	*				78.1	105.9	116.4	-79.3	-175.8	-179.8	-172	-1.7	113.7	R3014	R3014-R3016 PolarHBondContact O-N 3.5Å
3017	G	35.3	Very low	38.1	Very low	72.75 Å²	72.75	161.7 Å²	161.7	75%	0.75	78%	0.781	S	S	*	*				140.5	144.8	58.9	0	0	0	0	0	111.5
3018	R	39.1	Very low	38	Very low	205.25 Å²	205.25	163.7 Å²	163.7	78%	0.775	78%	0.78	S	S	*	*			trans	-144.4	133	-179.1	-156.3	-172.9	-178.6	-177.1	-0	106.3	E3020	R3018-E3020 HydrophobicContact CG-CG 3.81Å; R3018-E3020 WeakPolarHBondContact CG-OE1 3.43Å; R3018-E3020 VanDerWaalsContact CZ-CD 3.41Å; R3018-E3020 IonicContact CZ-OE1 3.18Å; R3018-E3020 IonicContact CZ-OE2 2.84Å; R3018-E3020 IonicContact NE-OE1 2.82Å; R3018-E3020 PolarHBondContact NE-OE1 3.1Å; R3018-E3020 IonicContact NE-OE2 3.36Å; R3018-E3020 PolarHBondContact NE-OE2 3.15Å; R3018-E3020 VanDerWaalsContact NH1-CD 3.3Å; R3018-E3020 IonicContact NH1-OE1 2.73Å; R3018-E3020 PolarHBondContact NH1-OE1 2.92Å; R3018-E3020 IonicContact NH1-OE2 3.25Å; R3018-E3020 PolarHBondContact NH1-OE2 3.48Å; R3018-E3020 IonicContact NH2-OE1 3.48Å; R3018-E3020 PolarHBondContact NH2-OE1 3.12Å; R3018-E3020 IonicContact NH2-OE2 3.54Å; R3018-E3020 PolarHBondContact NH2-OE2 2.99Å
3019	K	34.9	Very low	37.5	Very low	185.75 Å²	185.75	158.2 Å²	158.2	81%	0.808	78%	0.777	S	S	*	*				69.7	138.1	103.7	-111.9	-165.6	175.2	-112.8	0	113.1
3020	E	38.5	Very low	37.4	Very low	142.5 Å²	142.5	152.5 Å²	152.5	67%	0.666	77%	0.771	S	S	*	*			trans	-14.4	144.9	-178.8	-57.5	124.2	-170.3	0	0	111.5	R3018	R3018-E3020 HydrophobicContact CG-CG 3.81Å; R3018-E3020 WeakPolarHBondContact CG-OE1 3.43Å; R3018-E3020 VanDerWaalsContact CZ-CD 3.41Å; R3018-E3020 IonicContact CZ-OE1 3.18Å; R3018-E3020 IonicContact CZ-OE2 2.84Å; R3018-E3020 IonicContact NE-OE1 2.82Å; R3018-E3020 PolarHBondContact NE-OE1 3.1Å; R3018-E3020 IonicContact NE-OE2 3.36Å; R3018-E3020 PolarHBondContact NE-OE2 3.15Å; R3018-E3020 VanDerWaalsContact NH1-CD 3.3Å; R3018-E3020 IonicContact NH1-OE1 2.73Å; R3018-E3020 PolarHBondContact NH1-OE1 2.92Å; R3018-E3020 IonicContact NH1-OE2 3.25Å; R3018-E3020 PolarHBondContact NH1-OE2 3.48Å; R3018-E3020 IonicContact NH2-OE1 3.48Å; R3018-E3020 PolarHBondContact NH2-OE1 3.12Å; R3018-E3020 IonicContact NH2-OE2 3.54Å; R3018-E3020 PolarHBondContact NH2-OE2 2.99Å
3021	G	35.5	Very low	36.9	Very low	70.75 Å²	70.75	157.5 Å²	157.5	73%	0.729	77%	0.773	S	S	*	*			trans	144.1	144.1	-170.3	0	0	0	0	0	112.1
3022	E	36.8	Very low	36.6	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	77%	0.768	S	S	*	*				48.6	158.3	116.4	-118	160	143.9	0	0	113.9
3023	E	34.7	Very low	36.2	Very low	182.5 Å²	182.5	150.2 Å²	150.2	85%	0.853	76%	0.759	S	S	*	*			trans	51.7	123	172.4	-63.1	179.9	158.3	0	0	116
3024	D	35.2	Very low	36.4	Very low	141 Å²	141	154 Å²	154	75%	0.754	77%	0.768	S	S	*	*				-153.5	158.7	114.9	-156.2	4.8	0	0	0	111.7
3025	Q	38.9	Very low	36.2	Very low	144.25 Å²	144.25	151.5 Å²	151.5	67%	0.674	77%	0.765	S	S	*	*			trans	27.9	126.3	175.2	-54	-70.6	-27.7	0	0	119.1
3026	N	33.3	Very low	36.1	Very low	144.25 Å²	144.25	148.9 Å²	148.9	77%	0.771	77%	0.765	S	S	*	*			trans	59.4	128	130.2	-72.1	-60.8	0	0	0	117.5
3027	P	38.8	Very low	36.2	Very low	117.5 Å²	117.5	146.2 Å²	146.2	76%	0.763	77%	0.766	S	S	*	*				-112.7	-177.5	80.2	39.2	-29	0	0	0	114.4
3028	P	35.3	Very low	36.5	Very low	116.25 Å²	116.25	149.3 Å²	149.3	76%	0.755	77%	0.765	S	S	*	*			trans	-101.2	162.6	-162.8	39.1	-31.7	0	0	0	116.4
3029	C	32.6	Very low	36.5	Very low	122 Å²	122	146.8 Å²	146.8	82%	0.824	76%	0.762	S	S	*	*			trans	163.7	155.2	163.5	-76.6	0	0	0	0	115.2
3030	P	36.6	Very low	36.8	Very low	119.25 Å²	119.25	146.2 Å²	146.2	77%	0.774	76%	0.759	S	S	*	*				-129.7	177.2	-129.5	25.9	-7.1	0	0	0	117.3
3031	R	31	Very low	36.4	Very low	210.75 Å²	210.75	142.7 Å²	142.7	80%	0.795	76%	0.762	S	S	*	*			trans	-36.7	137.3	157.4	-74.3	179.5	172.1	164.6	-3.8	116.9	D2820	D2820-R3031 WeakPolarHBondContact O-CD 3.4Å; D2820-R3031 PolarHBondContact O-NH1 3.23Å
3032	L	35	Very low	36.7	Very low	150.5 Å²	150.5	144.7 Å²	144.7	79%	0.788	76%	0.762	S	S	*	*			trans	145.1	124.9	134.2	-74	179.1	0	0	0	115.7	G3058 C3059	L3032-G3058 PolarHBondContact O-N 3.24Å; L3032-C3059 WeakPolarHBondContact CA-O 3.26Å
3033	S	33.4	Very low	36.5	Very low	90.25 Å²	90.25	144.2 Å²	144.2	63%	0.631	76%	0.759	S	S	*	*			trans	-128.5	145.7	148	60.6	0	0	0	0	114.3
3034	R	40.1	Very low	36.7	Very low	217.5 Å²	217.5	141.4 Å²	141.4	82%	0.821	76%	0.755	S	S	*	*			trans	155.8	113.5	155.3	-147.3	169	171.3	155.5	5.7	116.7
3035	E	37.3	Very low	36.7	Very low	148.25 Å²	148.25	141.3 Å²	141.3	69%	0.693	75%	0.753	S	S	*	*			trans	-9.9	135.5	155.1	-75.1	162.1	169.9	0	0	117.3
3036	L	36.9	Very low	36.5	Very low	154 Å²	154	142 Å²	142	81%	0.806	76%	0.756	S	S	*	*			trans	146.8	124.8	131.9	-68.1	176.8	0	0	0	115.2
3037	L	40.2	Very low	36.6	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	76%	0.755	S	S	*	*			trans	148.4	156.3	135.6	-71.1	178.1	0	0	0	114.9
3038	D	41.7	Very low	36.3	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	75%	0.754	S	S	*	*			trans	92	146.1	174.6	-72.6	-23.3	0	0	0	115.3
3039	E	39.5	Very low	36.1	Very low	154 Å²	154	142.9 Å²	142.9	72%	0.72	76%	0.756	S	S	*	*			cis	139.3	155.4	20.4	-102.1	-132.3	131.2	0	0	114.5	Q2931	Q2931-E3039 PolarHBondContact NE2-O 3.03Å; Q2931-E3039 VanDerWaalsContact NE2-O 3.1Å
3040	K	40.6	Very low	36.2	Very low	172 Å²	172	143.6 Å²	143.6	75%	0.748	75%	0.752	S	S	*	*			trans	-175.3	129.1	176.2	-76.5	-94.2	-177	167	0	115.5
3041	G	32.2	Very low	36	Very low	69 Å²	69	148.7 Å²	148.7	71%	0.711	76%	0.755	S	S	*	*			trans	179.4	151.4	166.1	0	0	0	0	0	112.9	E2928	E2928-G3041 VanDerWaalsContact OE2-C 3.24Å; E2928-G3041 WeakPolarHBondContact OE2-CA 3.05Å
3042	P	40.4	Very low	35.9	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	75%	0.748	S	S	*	*			trans	-114.6	178.4	164.3	31.7	-20.9	0	0	0	116.8	E2927 E2928	E2927-P3042 WeakPolarHBondContact OE1-CB 3.4Å; E2927-P3042 WeakPolarHBondContact OE1-CG 3.3Å; E2928-P3042 WeakPolarHBondContact OE2-CD 3.4Å
3043	E	33.9	Very low	35.6	Very low	176.75 Å²	176.75	145.7 Å²	145.7	83%	0.826	75%	0.748	S	S	*	*			trans	-129.6	115.2	171	-77.6	174.1	-173.9	0	0	114.2	E2927 L3045	E2927-E3043 PolarHBondContact OE1-N 2.95Å; E2927-E3043 PolarHBondContact OE2-N 2.74Å; E3043-L3045 HydrophobicContact CB-CD1 4.22Å; E3043-L3045 HydrophobicContact CB-CG 4.05Å; E3043-L3045 HydrophobicContact CG-CD1 4.18Å; E3043-L3045 HydrophobicContact CG-CD2 4.21Å; E3043-L3045 HydrophobicContact CG-CG 4.07Å
3044	V	39	Very low	35.5	Very low	123.5 Å²	123.5	146 Å²	146	75%	0.748	75%	0.751	S	S	*	*				-154	120.7	110.1	-147.6	0	0	0	0	112.5	E2926 E2927	E2926-V3044 HydrophobicContact CG-CG2 4.14Å; E2927-V3044 HydrophobicContact CG-CG2 4.37Å; E2927-V3044 PolarHBondContact OE1-N 2.87Å; E2927-V3044 PolarHBondContact OE2-N 2.94Å
3045	L	33.8	Very low	35.1	Very low	138.25 Å²	138.25	141.8 Å²	141.8	72%	0.724	75%	0.749	S	S	*	*				135.7	145.2	93.8	-74.5	169.7	0	0	0	113.6	E3043 D3047	E3043-L3045 HydrophobicContact CB-CD1 4.22Å; E3043-L3045 HydrophobicContact CB-CG 4.05Å; E3043-L3045 HydrophobicContact CG-CD1 4.18Å; E3043-L3045 HydrophobicContact CG-CD2 4.21Å; E3043-L3045 HydrophobicContact CG-CG 4.07Å; L3045-D3047 PolarHBondContact O-N 3.12Å
3046	Q	35.6	Very low	34.9	Very low	159.5 Å²	159.5	139.6 Å²	139.6	75%	0.745	75%	0.748	S	S	*	*				-162.6	130.7	87.9	-100.6	174.1	-16.6	0	0	114.1
3047	D	35.2	Very low	34.5	Very low	139.75 Å²	139.75	137.7 Å²	137.7	75%	0.747	75%	0.747	S	S	*	*			trans	22.1	152.6	144.2	-77.1	-13	0	0	0	118	L3045	L3045-D3047 PolarHBondContact O-N 3.12Å
3048	S	32.7	Very low	34.1	Very low	105.75 Å²	105.75	133.3 Å²	133.3	74%	0.74	74%	0.737	S	S	*	*			trans	-140.2	133.6	179.1	3.5	0	0	0	0	114.6
3049	L	31.5	Very low	33.5	Very low	152.25 Å²	152.25	131.6 Å²	131.6	80%	0.797	74%	0.736	S	S	*	*			trans	-58.3	159.3	158.4	-69.8	170.7	0	0	0	112.8
3050	D	33.4	Very low	33.1	Very low	136.5 Å²	136.5	130.7 Å²	130.7	73%	0.73	74%	0.735	S	S	*	*			trans	75.4	111.4	137.5	-80.6	-23.2	0	0	0	118.6
3051	R	33.7	Very low	32.7	Very low	226.25 Å²	226.25	129.9 Å²	129.9	85%	0.854	73%	0.734	S	S	*	*			trans	141.8	112.7	140.7	-132.9	164.6	-120.8	-149	-2.7	118
3052	C	27.4	Very low	32.6	Very low	93.5 Å²	93.5	134.4 Å²	134.4	63%	0.632	74%	0.741	S	S	*	*			trans	-11.2	145.8	153.2	-44	0	0	0	0	117.4
3053	Y	30	Very low	32.3	Very low	204.75 Å²	204.75	134.4 Å²	134.4	80%	0.803	74%	0.738	S	S	*	*				177.1	113.7	121.5	-74.9	-68.9	0	0	0	115.4	D3330	Y3053-D3330 PolarHBondContact N-OD2 3.26Å
3054	S	31	Very low	32.2	Very low	96.5 Å²	96.5	132.3 Å²	132.3	68%	0.675	73%	0.733	S	S	*	*			trans	88.3	130.8	155.9	-78.1	0	0	0	0	117.7	D3330	S3054-D3330 WeakPolarHBondContact CA-OD1 3.12Å; S3054-D3330 WeakPolarHBondContact CB-OD1 3.1Å; S3054-D3330 PolarHBondContact N-OD1 3.29Å
3055	T	31.8	Very low	31.7	Very low	128.5 Å²	128.5	131.1 Å²	131.1	79%	0.788	73%	0.73	S	S	*	*				-160.5	141.2	119.1	-8.6	0	0	0	0	111.2
3056	P	31.8	Very low	31.4	Very low	103.75 Å²	103.75	129.4 Å²	129.4	67%	0.674	73%	0.729	S	S	*	*				-126.2	160.6	72.6	34.8	-19.5	0	0	0	114.2	M3331	P3056-M3331 HydrophobicContact CG-CE 4.14Å
3057	S	30.3	Very low	31.2	Very low	113.25 Å²	113.25	130 Å²	130	79%	0.792	73%	0.731	S	S	*	*			trans	-127	142.1	161.8	51.2	0	0	0	0	110.2	A3572	S3057-A3572 WeakPolarHBondContact O-CB 3.21Å
3058	G	30.4	Very low	31.1	Very low	55 Å²	55	128.4 Å²	128.4	57%	0.567	73%	0.729	S	S	*	*			trans	127.1	113	174.4	0	0	0	0	0	112.4	L3032 L3060 L3571 A3572	L3032-G3058 PolarHBondContact O-N 3.24Å; G3058-L3060 PolarHBondContact O-N 3.43Å; G3058-L3571 CarbonylContact O-C 3.48Å; G3058-A3572 WeakPolarHBondContact O-CA 3.42Å; G3058-A3572 WeakPolarHBondContact O-CB 3.22Å; G3058-A3572 PolarHBondContact O-N 2.74Å
3059	C	29.5	Very low	30.8	Very low	102.75 Å²	102.75	133.8 Å²	133.8	69%	0.694	74%	0.735	S	S	*	*				-143.2	135.3	75	-73.2	0	0	0	0	110.6	L3032 E3061	L3032-C3059 WeakPolarHBondContact CA-O 3.26Å; C3059-E3061 HydrophobicContact CB-CG 4.4Å
3060	L	31.4	Very low	30.6	Very low	134.25 Å²	134.25	136.8 Å²	136.8	70%	0.703	74%	0.735	S	S	*	*			trans	-141.8	150	140.2	-92.5	152.7	0	0	0	110	L2572 G3058 L3062 M3575	L2572-L3060 HydrophobicContact CD1-CD2 3.84Å; L2572-L3060 HydrophobicContact CD1-CG 4.23Å; G3058-L3060 PolarHBondContact O-N 3.43Å; L3060-L3062 PolarHBondContact O-N 3.41Å; L3060-M3575 HydrophobicContact CD1-CE 4.26Å; L3060-M3575 HydrophobicContact CD1-SD 4.33Å
3061	E	31.6	Very low	30.4	Very low	155.25 Å²	155.25	135.1 Å²	135.1	73%	0.725	73%	0.734	S	S	*	*			trans	32.9	109	162.6	-74	163.1	-171.8	0	0	118.9	C3059 T3063	C3059-E3061 HydrophobicContact CB-CG 4.4Å; E3061-T3063 PolarHBondContact O-N 3.24Å
3062	L	31.4	Very low	30.1	Very low	164.25 Å²	164.25	128.3 Å²	128.3	86%	0.86	73%	0.727	S	S	*	*			trans	-82.8	117.8	143.9	-68.2	173.2	0	0	0	111.4	L3060 D3064	L3060-L3062 PolarHBondContact O-N 3.41Å; L3062-D3064 PolarHBondContact O-N 3.05Å
3063	T	33.6	Very low	30.1	Very low	111.5 Å²	111.5	132.1 Å²	132.1	68%	0.684	73%	0.733	S	S	*	*			trans	-108.6	126.2	156.1	-44.3	0	0	0	0	109	E3061	E3061-T3063 PolarHBondContact O-N 3.24Å
3064	D	30.9	Very low	29.9	Very low	134 Å²	134	132.5 Å²	132.5	72%	0.717	73%	0.734	S	S	*	*			trans	35.1	130.1	162.7	-60.7	-27	0	0	0	118	L3062	L3062-D3064 PolarHBondContact O-N 3.05Å
3065	S	28.1	Very low	30	Very low	98.5 Å²	98.5	135.4 Å²	135.4	69%	0.689	74%	0.74	S	S	*	*				-139.7	117.2	101.7	63.4	0	0	0	0	112.5	Q3067 Q3078	S3065-Q3067 PolarHBondContact O-N 3.08Å; S3065-Q3067 VanDerWaalsContact O-N 3.1Å; S3065-Q3078 PolarHBondContact O-NE2 3.08Å
3066	C	28.5	Very low	30	Very low	102.25 Å²	102.25	136.4 Å²	136.4	69%	0.691	74%	0.74	S	S	*	*			trans	-149.8	115.1	142.8	-100.1	0	0	0	0	114.5	E3077	C3066-E3077 WeakPolarHBondContact CB-OE1 3.42Å; C3066-E3077 WeakPolarHBondContact CB-OE2 3.28Å
3067	Q	30.6	Very low	30	Very low	170.5 Å²	170.5	138.9 Å²	138.9	80%	0.797	74%	0.743	S	S	*	*			trans	-121.8	134.3	148.2	-74	-60.6	-48.4	0	0	112.5	S3065	S3065-Q3067 PolarHBondContact O-N 3.08Å; S3065-Q3067 VanDerWaalsContact O-N 3.1Å
3068	P	32.7	Very low	30.1	Very low	107.75 Å²	107.75	140.9 Å²	140.9	70%	0.7	74%	0.74	S	S	*	*				-128.5	146.6	107.5	28.8	-10.4	0	0	0	115.3
3069	Y	27.4	Very low	30.2	Very low	218 Å²	218	146.5 Å²	146.5	86%	0.855	75%	0.751	S	S	*	*			trans	-77.6	138.4	150.4	-96.6	-95.7	0	0	0	114.3	S3071	Y3069-S3071 VanDerWaalsContact CD1-OG 3.26Å; Y3069-S3071 WeakPolarHBondContact CD1-OG 3.24Å; Y3069-S3071 WeakPolarHBondContact CE1-OG 3.41Å; Y3069-S3071 PolarHBondContact O-N 2.71Å
3070	R	27	Very low	30.2	Very low	216.5 Å²	216.5	147.7 Å²	147.7	82%	0.817	76%	0.759	S	S	*	*			trans	-99.2	103.6	161.4	-124.3	-153.7	-169.8	-155.8	1	113
3071	S	28.5	Very low	30.4	Very low	99.5 Å²	99.5	147.9 Å²	147.9	70%	0.696	77%	0.766	S	S	*	*			trans	132.7	102.6	150.5	56.9	0	0	0	0	112.1	Y3069	Y3069-S3071 VanDerWaalsContact CD1-OG 3.26Å; Y3069-S3071 WeakPolarHBondContact CD1-OG 3.24Å; Y3069-S3071 WeakPolarHBondContact CE1-OG 3.41Å; Y3069-S3071 PolarHBondContact O-N 2.71Å
3072	A	28.1	Very low	30.3	Very low	85 Å²	85	143.7 Å²	143.7	70%	0.702	76%	0.764	S	S	*	*				65.5	127.8	124.2	0	0	0	0	0	113.1
3073	F	26.7	Very low	30.5	Very low	173 Å²	173	144 Å²	144	76%	0.759	77%	0.766	S	S	*	*			trans	118	146.5	158.2	-73.4	-89.2	0	0	0	113.3	I3075	F3073-I3075 HydrophobicContact CB-CG1 4.06Å; F3073-I3075 PolarHBondContact O-N 2.87Å
3074	Y	27.6	Very low	30.6	Very low	212.25 Å²	212.25	143.3 Å²	143.3	83%	0.832	77%	0.771	S	S	*	*			trans	-68.8	128.9	154.8	-71.3	-87.4	0	0	0	113.1	L3076	Y3074-L3076 PolarHBondContact O-N 2.53Å
3075	I	32.5	Very low	31.1	Very low	156.75 Å²	156.75	142.4 Å²	142.4	80%	0.804	77%	0.77	S	S	*	*			trans	-128.5	117.8	149	-75.6	-177.8	0	0	0	107.1	F3073	F3073-I3075 HydrophobicContact CB-CG1 4.06Å; F3073-I3075 PolarHBondContact O-N 2.87Å
3076	L	32.2	Very low	31.6	Very low	149.75 Å²	149.75	144.7 Å²	144.7	78%	0.784	78%	0.775	S	S	*	*			trans	-43.2	116.8	141.2	-143.1	114.7	0	0	0	111.1	Y3074 Q3078	Y3074-L3076 PolarHBondContact O-N 2.53Å; L3076-Q3078 HydrophobicContact CD2-CG 4.29Å; L3076-Q3078 PolarHBondContact O-N 3.24Å
3077	E	31.2	Very low	32.1	Very low	156.25 Å²	156.25	147.7 Å²	147.7	73%	0.73	78%	0.781	S	S	*	*			trans	-47.3	99.8	152.5	-145.2	174.8	-178	0	0	112.3	C3066 Q3079	C3066-E3077 WeakPolarHBondContact CB-OE1 3.42Å; C3066-E3077 WeakPolarHBondContact CB-OE2 3.28Å; E3077-Q3079 PolarHBondContact O-N 3.3Å
3078	Q	33.1	Very low	32.6	Very low	156.5 Å²	156.5	146.3 Å²	146.3	73%	0.731	78%	0.779	S	S	*	*			trans	-109.7	116.3	151.4	-83.6	-127.1	52.9	0	0	110.7	S3065 L3076 C3080	S3065-Q3078 PolarHBondContact O-NE2 3.08Å; L3076-Q3078 HydrophobicContact CD2-CG 4.29Å; L3076-Q3078 PolarHBondContact O-N 3.24Å; Q3078-C3080 VanDerWaalsContact C-N 3.31Å; Q3078-C3080 PolarHBondContact O-N 3.41Å; Q3078-C3080 VanDerWaalsContact O-N 3.12Å
3079	Q	32.6	Very low	33.1	Very low	171.5 Å²	171.5	148.4 Å²	148.4	80%	0.801	78%	0.779	S	S	*	*			trans	-69.7	118	166	-68.1	-172.3	-18.1	0	0	112.6	E3077 V3081	E3077-Q3079 PolarHBondContact O-N 3.3Å; Q3079-V3081 VanDerWaalsContact C-N 3.27Å; Q3079-V3081 PolarHBondContact O-N 3.24Å
3080	C	29.4	Very low	34.1	Very low	127.75 Å²	127.75	145.4 Å²	145.4	86%	0.863	78%	0.777	S	S	*	*			trans	-3.3	83.8	163.2	-56.7	0	0	0	0	115.6	Q3078	Q3078-C3080 VanDerWaalsContact C-N 3.31Å; Q3078-C3080 PolarHBondContact O-N 3.41Å; Q3078-C3080 VanDerWaalsContact O-N 3.12Å
3081	V	34.7	Very low	34.8	Very low	140 Å²	140	142.1 Å²	142.1	85%	0.848	77%	0.77	S	S	*	*			trans	-105.8	122	148.9	-176.3	0	0	0	0	108.4	Q3079	Q3079-V3081 VanDerWaalsContact C-N 3.27Å; Q3079-V3081 PolarHBondContact O-N 3.24Å
3082	G	29.8	Very low	35.5	Very low	66.75 Å²	66.75	145.2 Å²	145.2	69%	0.688	77%	0.771	S	S	*	*				160.2	120.8	89.1	0	0	0	0	0	110	A3084	G3082-A3084 PolarHBondContact O-N 3.29Å
3083	L	35	Very low	35.9	Very low	169.5 Å²	169.5	150.3 Å²	150.3	89%	0.887	77%	0.774	S	S	*	*			trans	-124.4	139.4	169.3	-87.2	174	0	0	0	109.2	V3085	L3083-V3085 VanDerWaalsContact C-N 3.34Å; L3083-V3085 HydrophobicContact CB-CG2 4.19Å; L3083-V3085 PolarHBondContact O-N 2.94Å
3084	A	35.2	Very low	36.5	Very low	97.75 Å²	97.75	150 Å²	150	81%	0.808	78%	0.775	S	S	*	*			trans	-106	126	165.7	0	0	0	0	0	108.9	G3082	G3082-A3084 PolarHBondContact O-N 3.29Å
3085	V	41.2	Very low	36.9	Very low	114.75 Å²	114.75	147.5 Å²	147.5	70%	0.695	77%	0.771	S	S	*	*			trans	-127	125.1	160.8	-179.1	0	0	0	0	107.2	L3083 M3087	L3083-V3085 VanDerWaalsContact C-N 3.34Å; L3083-V3085 HydrophobicContact CB-CG2 4.19Å; L3083-V3085 PolarHBondContact O-N 2.94Å; V3085-M3087 VanDerWaalsContact C-N 3.32Å; V3085-M3087 HydrophobicContact CG1-CB 4.05Å; V3085-M3087 HydrophobicContact CG1-CG 3.76Å; V3085-M3087 HydrophobicContact CG1-SD 3.87Å; V3085-M3087 PolarHBondContact O-N 3.42Å
3086	D	38.7	Very low	37.4	Very low	146.5 Å²	146.5	146 Å²	146	78%	0.783	77%	0.768	S	S	*	*			trans	-55.6	137	172.3	-58.7	-52.1	0	0	0	112.8	D3088	D3086-D3088 PolarHBondContact O-N 2.92Å
3087	M	38.9	Very low	37.7	Very low	166 Å²	166	147.3 Å²	147.3	82%	0.818	77%	0.77	S	S	*	*			trans	-110.9	87.7	157.3	-86.8	-167.6	34	0	0	111.3	V3085 E3089	V3085-M3087 VanDerWaalsContact C-N 3.32Å; V3085-M3087 HydrophobicContact CG1-CB 4.05Å; V3085-M3087 HydrophobicContact CG1-CG 3.76Å; V3085-M3087 HydrophobicContact CG1-SD 3.87Å; V3085-M3087 PolarHBondContact O-N 3.42Å; M3087-E3089 PolarHBondContact O-N 3.41Å
3088	D	41.7	Very low	38.1	Very low	141.25 Å²	141.25	148.1 Å²	148.1	76%	0.755	77%	0.774	S	S	*	*			trans	-102.9	104	169.1	-76.9	-44.4	0	0	0	112.1	D3086 I3090	D3086-D3088 PolarHBondContact O-N 2.92Å; D3088-I3090 VanDerWaalsContact C-N 3.26Å; D3088-I3090 PolarHBondContact O-N 3.22Å
3089	E	44.4	Very low	38.3	Very low	150.5 Å²	150.5	147.3 Å²	147.3	70%	0.703	78%	0.775	S	S	*	*			trans	71.1	88.7	164.1	-73.8	-178.7	175.4	0	0	115.1	M3087 E3091	M3087-E3089 PolarHBondContact O-N 3.41Å; E3089-E3091 HydrophobicContact CB-CG 4.28Å; E3089-E3091 HydrophobicContact CG-CG 4.03Å; E3089-E3091 PolarHBondContact O-N 3.18Å
3090	I	48	Very low	38.5	Very low	156 Å²	156	146.7 Å²	146.7	80%	0.8	77%	0.772	S	S	*	*			trans	-101.1	90.3	149.2	-67.4	169.2	0	0	0	109.1	D3088 K3092	D3088-I3090 VanDerWaalsContact C-N 3.26Å; D3088-I3090 PolarHBondContact O-N 3.22Å; I3090-K3092 VanDerWaalsContact C-N 3.31Å; I3090-K3092 PolarHBondContact O-N 3.31Å; I3090-K3092 VanDerWaalsContact O-N 3.12Å
3091	E	41.3	Very low	38.7	Very low	146.5 Å²	146.5	147.6 Å²	147.6	69%	0.685	77%	0.768	S	S	*	*			trans	-72.9	104.4	165	-72.5	-150.8	128.5	0	0	114.6	E3089 Y3093	E3089-E3091 HydrophobicContact CB-CG 4.28Å; E3089-E3091 HydrophobicContact CG-CG 4.03Å; E3089-E3091 PolarHBondContact O-N 3.18Å; E3091-Y3093 PolarHBondContact O-N 3.34Å
3092	K	43.1	Very low	38.9	Very low	164.5 Å²	164.5	146.4 Å²	146.4	72%	0.715	76%	0.763	S	S	*	*			trans	36.5	104.6	151.6	-108	173.6	-174.9	177	0	114.7	I3090 Q3094	I3090-K3092 VanDerWaalsContact C-N 3.31Å; I3090-K3092 PolarHBondContact O-N 3.31Å; I3090-K3092 VanDerWaalsContact O-N 3.12Å; K3092-Q3094 PolarHBondContact O-N 3.32Å
3093	Y	36.8	Very low	39.1	Very low	193 Å²	193	148 Å²	148	76%	0.757	76%	0.764	S	S	*	*			trans	-82.6	105	135.1	-75.7	-77.1	0	0	0	111	Q2606 E2607 E3091 E3095	Q2606-Y3093 VanDerWaalsContact C-CE1 3.41Å; Q2606-Y3093 WeakPolarHBondContact CA-OH 3.15Å; Q2606-Y3093 HydrophobicContact CB-CE1 3.84Å; Q2606-Y3093 HydrophobicContact CB-CE2 3.81Å; Q2606-Y3093 VanDerWaalsContact CB-CZ 3.44Å; Q2606-Y3093 HydrophobicContact CG-CD2 4.4Å; Q2606-Y3093 HydrophobicContact CG-CE1 4.4Å; Q2606-Y3093 HydrophobicContact CG-CE2 3.48Å; Q2606-Y3093 VanDerWaalsContact CG-CE2 3.48Å; Q2606-Y3093 WeakPolarHBondContact CG-OH 3.05Å; E2607-Y3093 WeakPolarHBondContact O-CE1 3.41Å; E2607-Y3093 PolarHBondContact O-OH 2.83Å; E3091-Y3093 PolarHBondContact O-N 3.34Å; Y3093-E3095 PolarHBondContact O-N 3.27Å
3094	Q	38.1	Very low	38.9	Very low	166.75 Å²	166.75	145.4 Å²	145.4	78%	0.779	76%	0.759	S	S	*	*			trans	-81.3	118.8	149.6	-163.5	-179.5	-9.3	0	0	112.3	E2609 K3092 V3096	E2609-Q3094 PolarHBondContact OE2-NE2 2.94Å; K3092-Q3094 PolarHBondContact O-N 3.32Å; Q3094-V3096 PolarHBondContact O-N 3.47Å
3095	E	36.7	Very low	39	Very low	159.75 Å²	159.75	146.6 Å²	146.6	75%	0.746	76%	0.758	S	S	*	*			trans	-116.6	106.9	160.6	-97.1	150.4	-178.3	0	0	110.2	V2608 E2609 Y3093 E3097	V2608-E3095 WeakPolarHBondContact CA-OE1 3.49Å; V2608-E3095 PolarHBondContact N-OE1 3.48Å; E2609-E3095 HydrophobicContact CB-CB 4.36Å; E2609-E3095 PolarHBondContact N-OE1 2.67Å; E2609-E3095 WeakPolarHBondContact O-CB 3.45Å; Y3093-E3095 PolarHBondContact O-N 3.27Å; E3095-E3097 VanDerWaalsContact C-N 3.35Å; E3095-E3097 PolarHBondContact O-N 3.47Å
3096	V	43.1	Very low	38.6	Very low	125 Å²	125	151.7 Å²	151.7	76%	0.758	77%	0.765	S	S	*	*			trans	-118.6	97.6	158.9	-176.4	0	0	0	0	108.7	Q3094 E3098	Q3094-V3096 PolarHBondContact O-N 3.47Å; V3096-E3098 VanDerWaalsContact C-N 3.25Å; V3096-E3098 PolarHBondContact O-N 3.43Å
3097	E	39.6	Very low	38.3	Very low	176.25 Å²	176.25	152.5 Å²	152.5	82%	0.824	77%	0.768	S	S	*	*			trans	-113.6	99.6	159.6	-126.2	176.5	-171.7	0	0	107.8	E3095 D3099	E3095-E3097 VanDerWaalsContact C-N 3.35Å; E3095-E3097 PolarHBondContact O-N 3.47Å; E3097-D3099 PolarHBondContact O-N 3.44Å
3098	E	38.1	Very low	38.1	Very low	173 Å²	173	149.8 Å²	149.8	81%	0.808	77%	0.766	S	S	*	*			trans	-99.6	93.2	156.1	-149	167.9	-151.1	0	0	110.3	V3096 Q3100	V3096-E3098 VanDerWaalsContact C-N 3.25Å; V3096-E3098 PolarHBondContact O-N 3.43Å; E3098-Q3100 PolarHBondContact O-N 2.85Å; E3098-Q3100 VanDerWaalsContact O-N 3.16Å
3099	D	37.3	Very low	37.9	Very low	139.5 Å²	139.5	154.1 Å²	154.1	75%	0.746	77%	0.772	S	S	*	*			trans	-83.5	119.1	174.3	-104.7	-31.5	0	0	0	112.5	E3097	E3097-D3099 PolarHBondContact O-N 3.44Å
3100	Q	37.4	Very low	37.6	Very low	160 Å²	160	155.3 Å²	155.3	75%	0.748	78%	0.777	S	S	*	*			trans	-17.4	115.8	155.6	-63.9	180	46.6	0	0	115.8	E3098 P3102	E3098-Q3100 PolarHBondContact O-N 2.85Å; E3098-Q3100 VanDerWaalsContact O-N 3.16Å; Q3100-P3102 VanDerWaalsContact O-CD 3.28Å; Q3100-P3102 WeakPolarHBondContact O-CD 3.49Å
3101	D	34.5	Very low	37.1	Very low	146 Å²	146	154.6 Å²	154.6	78%	0.781	77%	0.774	S	S	*	*				-34.9	140.4	128.4	-110.5	-32.8	0	0	0	115	S3103	D3101-S3103 VanDerWaalsContact C-N 3.29Å; D3101-S3103 PolarHBondContact O-N 3.1Å
3102	P	38.5	Very low	37	Very low	115.25 Å²	115.25	154.9 Å²	154.9	75%	0.748	78%	0.78	S	S	*	*			trans	-97.7	99.7	171.2	34.3	-29.5	0	0	0	114.7	Q3100	Q3100-P3102 VanDerWaalsContact O-CD 3.28Å; Q3100-P3102 WeakPolarHBondContact O-CD 3.49Å
3103	S	34.1	Very low	36.8	Very low	100.75 Å²	100.75	151.5 Å²	151.5	71%	0.705	78%	0.782	S	S	*	*			trans	140.5	129.8	160.6	73.3	0	0	0	0	118	D3101	D3101-S3103 VanDerWaalsContact C-N 3.29Å; D3101-S3103 PolarHBondContact O-N 3.1Å
3104	C	29.7	Very low	36.8	Very low	114.25 Å²	114.25	150.1 Å²	150.1	77%	0.772	78%	0.783	S	S	*	*			trans	-159.2	122.3	-173.7	-77	0	0	0	0	114.5	R3106	C3104-R3106 PolarHBondContact O-N 2.96Å
3105	P	37.5	Very low	36.7	Very low	122.5 Å²	122.5	150.2 Å²	150.2	80%	0.795	78%	0.781	S	S	*	*			trans	-86.4	134	174.5	33	-31	0	0	0	112.1	L3107	P3105-L3107 PolarHBondContact O-N 2.89Å; P3105-L3107 VanDerWaalsContact O-N 3.1Å
3106	R	33.4	Very low	36.7	Very low	222.75 Å²	222.75	150.8 Å²	150.8	84%	0.841	78%	0.783	S	S	*	*			trans	-128.4	117.2	166.6	-88	-179	160.3	165.3	-1.2	113.5	Y2605 C3104	Y2605-R3106 PolarHBondContact OH-NH1 3.05Å; Y2605-R3106 PolarHBondContact OH-NH2 2.78Å; C3104-R3106 PolarHBondContact O-N 2.96Å
3107	L	31.4	Very low	36.4	Very low	163.25 Å²	163.25	149.5 Å²	149.5	86%	0.855	78%	0.778	S	S	*	*			trans	-104.5	137.4	162.8	-63.6	175	0	0	0	114	P3105	P3105-L3107 PolarHBondContact O-N 2.89Å; P3105-L3107 VanDerWaalsContact O-N 3.1Å
3108	S	35.5	Very low	36.2	Very low	109.5 Å²	109.5	148.9 Å²	148.9	77%	0.766	78%	0.775	S	S	*	*			trans	130.9	129	160.4	39.1	0	0	0	0	112.5	E3110	S3108-E3110 PolarHBondContact O-N 2.97Å
3109	R	36.7	Very low	36.2	Very low	230.75 Å²	230.75	147.1 Å²	147.1	87%	0.871	78%	0.775	S	S	*	*				-143.3	87.9	87.8	-170	-176.1	-179.3	167.8	1.6	110.7	L3111	R3109-L3111 HydrophobicContact CG-CD1 4.25Å; R3109-L3111 HydrophobicContact CG-CG 4.37Å; R3109-L3111 PolarHBondContact O-N 3.47Å
3110	E	38.1	Very low	36	Very low	175.5 Å²	175.5	147.2 Å²	147.2	82%	0.82	78%	0.775	S	S	*	*			trans	-95.9	140.2	158.7	-73.2	178.9	157.9	0	0	110.5	S3108	S3108-E3110 PolarHBondContact O-N 2.97Å
3111	L	37.9	Very low	35.9	Very low	142.25 Å²	142.25	147.3 Å²	147.3	75%	0.745	78%	0.776	S	S	*	*			trans	-152.2	127.9	172	-72.2	179.6	0	0	0	110.8	R3109	R3109-L3111 HydrophobicContact CG-CD1 4.25Å; R3109-L3111 HydrophobicContact CG-CG 4.37Å; R3109-L3111 PolarHBondContact O-N 3.47Å
3112	L	38.4	Very low	36	Very low	152.25 Å²	152.25	146.5 Å²	146.5	80%	0.797	77%	0.771	S	S	*	*			trans	120.2	113.3	156.9	-64.6	167.1	0	0	0	113.3	E3114	L3112-E3114 HydrophobicContact CB-CG 4.48Å; L3112-E3114 HydrophobicContact CD2-CG 3.69Å
3113	A	38.9	Very low	35.9	Very low	93.25 Å²	93.25	145.7 Å²	145.7	77%	0.771	77%	0.766	S	S	*	*			trans	125	106.5	138	0	0	0	0	0	111.6
3114	E	37.9	Very low	35.9	Very low	164.25 Å²	164.25	147.9 Å²	147.9	77%	0.768	77%	0.769	S	S	*	*				-114.5	120.5	99.2	-76.4	-177.3	-178.5	0	0	109.7	L3112	L3112-E3114 HydrophobicContact CB-CG 4.48Å; L3112-E3114 HydrophobicContact CD2-CG 3.69Å
3115	K	36.8	Very low	36	Very low	169 Å²	169	148.7 Å²	148.7	74%	0.735	77%	0.766	S	S	*	*				57.8	124	96.3	-64.8	-177.4	176.2	-178.3	0	116.6	P3123	K3115-P3123 HydrophobicContact CB-CB 3.41Å; K3115-P3123 VanDerWaalsContact CB-CB 3.41Å; K3115-P3123 HydrophobicContact CB-CG 3.55Å; K3115-P3123 HydrophobicContact CD-CB 3.69Å; K3115-P3123 HydrophobicContact CD-CG 4.44Å; K3115-P3123 HydrophobicContact CG-CB 4.24Å
3116	E	36.1	Very low	36	Very low	171 Å²	171	152.6 Å²	152.6	80%	0.799	77%	0.765	S	S	*	*			trans	-80.2	147.7	143.1	-74.4	166.9	154.9	0	0	112.3	P3123	E3116-P3123 WeakPolarHBondContact O-CD 3.45Å; E3116-P3123 WeakPolarHBondContact O-CG 3.44Å
3117	P	37.4	Very low	36	Very low	99 Å²	99	147 Å²	147	64%	0.643	76%	0.759	S	S	*	*				-114.9	142.6	83.9	26.5	-14.8	0	0	0	115.2	V3119 Q3121 D3122	P3117-V3119 PolarHBondContact O-N 2.65Å; P3117-Q3121 WeakPolarHBondContact CB-O 3.22Å; P3117-D3122 WeakPolarHBondContact CA-O 3.12Å; P3117-D3122 WeakPolarHBondContact CB-O 3.17Å; P3117-D3122 WeakPolarHBondContact CG-O 3.45Å
3118	E	35.1	Very low	35.9	Very low	162.5 Å²	162.5	149.3 Å²	149.3	76%	0.759	76%	0.757	S	S	*	*			trans	-56.5	139.9	152.2	-63.1	-177	149	0	0	113.5	L3120	E3118-L3120 VanDerWaalsContact C-N 3.29Å; E3118-L3120 PolarHBondContact O-N 3.12Å
3119	V	37.2	Very low	35.7	Very low	135.75 Å²	135.75	149 Å²	149	82%	0.823	76%	0.755	S	S	*	*			trans	36.2	78.7	163	-165	0	0	0	0	114.2	P3117 Q3121	P3117-V3119 PolarHBondContact O-N 2.65Å; V3119-Q3121 PolarHBondContact O-N 3.39Å
3120	L	33.8	Very low	35.5	Very low	141.75 Å²	141.75	143.9 Å²	143.9	74%	0.742	75%	0.75	S	S	*	*			trans	71.8	91.6	134.7	-160.8	98.3	0	0	0	112	E3118	E3118-L3120 VanDerWaalsContact C-N 3.29Å; E3118-L3120 PolarHBondContact O-N 3.12Å
3121	Q	34.5	Very low	35.4	Very low	161.75 Å²	161.75	141.3 Å²	141.3	76%	0.756	75%	0.749	S	S	*	*			trans	120.6	116.7	143	-82.6	172.2	44.6	0	0	112.7	P3117 V3119	P3117-Q3121 WeakPolarHBondContact CB-O 3.22Å; V3119-Q3121 PolarHBondContact O-N 3.39Å
3122	D	36.7	Very low	35	Very low	128.5 Å²	128.5	139.1 Å²	139.1	69%	0.687	75%	0.745	S	S	*	*			trans	21.1	138	140.6	-71.5	-41.9	0	0	0	117.3	P3117 L3124	P3117-D3122 WeakPolarHBondContact CA-O 3.12Å; P3117-D3122 WeakPolarHBondContact CB-O 3.17Å; P3117-D3122 WeakPolarHBondContact CG-O 3.45Å; D3122-L3124 HydrophobicContact CB-CG 4.07Å; D3122-L3124 VanDerWaalsContact CG-CD2 3.47Å; D3122-L3124 VanDerWaalsContact CG-CG 3.45Å; D3122-L3124 WeakPolarHBondContact OD1-CA 3.13Å; D3122-L3124 WeakPolarHBondContact OD1-CD2 3.02Å; D3122-L3124 VanDerWaalsContact OD1-CG 3.26Å; D3122-L3124 WeakPolarHBondContact OD1-CG 3.24Å; D3122-L3124 PolarHBondContact OD1-N 2.98Å; D3122-L3124 WeakPolarHBondContact OD2-CD2 3.2Å
3123	P	37	Very low	34.7	Very low	98.25 Å²	98.25	135 Å²	135	64%	0.638	74%	0.739	S	S	*	*			trans	-119.3	109	132.3	38.9	-30.8	0	0	0	113.3	K3115 E3116 D3125	K3115-P3123 HydrophobicContact CB-CB 3.41Å; K3115-P3123 VanDerWaalsContact CB-CB 3.41Å; K3115-P3123 HydrophobicContact CB-CG 3.55Å; K3115-P3123 HydrophobicContact CD-CB 3.69Å; K3115-P3123 HydrophobicContact CD-CG 4.44Å; K3115-P3123 HydrophobicContact CG-CB 4.24Å; E3116-P3123 WeakPolarHBondContact O-CD 3.45Å; E3116-P3123 WeakPolarHBondContact O-CG 3.44Å; P3123-D3125 VanDerWaalsContact C-N 3.34Å; P3123-D3125 HydrophobicContact CB-CB 4.46Å; P3123-D3125 PolarHBondContact O-N 3.11Å
3124	L	33.2	Very low	34.3	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	74%	0.738	S	S	*	*			trans	13.6	102.6	156.6	-71.9	174	0	0	0	114.2	D3122 R3126	D3122-L3124 HydrophobicContact CB-CG 4.07Å; D3122-L3124 VanDerWaalsContact CG-CD2 3.47Å; D3122-L3124 VanDerWaalsContact CG-CG 3.45Å; D3122-L3124 WeakPolarHBondContact OD1-CA 3.13Å; D3122-L3124 WeakPolarHBondContact OD1-CD2 3.02Å; D3122-L3124 VanDerWaalsContact OD1-CG 3.26Å; D3122-L3124 WeakPolarHBondContact OD1-CG 3.24Å; D3122-L3124 PolarHBondContact OD1-N 2.98Å; D3122-L3124 WeakPolarHBondContact OD2-CD2 3.2Å; L3124-R3126 PolarHBondContact O-N 2.68Å
3125	D	33.3	Very low	34	Very low	131.25 Å²	131.25	137.9 Å²	137.9	70%	0.702	73%	0.733	S	S	*	*			trans	107.8	109.8	154.5	-128.8	5	0	0	0	115.5	P3123 C3127	P3123-D3125 VanDerWaalsContact C-N 3.34Å; P3123-D3125 HydrophobicContact CB-CB 4.46Å; P3123-D3125 PolarHBondContact O-N 3.11Å; D3125-C3127 PolarHBondContact O-N 3Å; D3125-C3127 WeakPolarHBondContact OD1-CA 3.11Å; D3125-C3127 WeakPolarHBondContact OD1-CB 3.21Å; D3125-C3127 PolarHBondContact OD1-N 2.86Å; D3125-C3127 PolarHBondContact OD1-SG 3.22Å
3126	R	36.4	Very low	33.8	Very low	205 Å²	205	138 Å²	138	77%	0.774	74%	0.736	S	S	*	*			trans	-86.3	111.7	163.2	-141.5	171.3	179.9	138.6	-1.8	111.2	L3124 Y3128	L3124-R3126 PolarHBondContact O-N 2.68Å; R3126-Y3128 PolarHBondContact O-N 3.35Å
3127	C	32.8	Very low	33.9	Very low	104.75 Å²	104.75	137.4 Å²	137.4	71%	0.708	74%	0.738	S	S	*	*			trans	-99.5	117.9	162.1	-90.1	0	0	0	0	112.7	D3125 S3129	D3125-C3127 PolarHBondContact O-N 3Å; D3125-C3127 WeakPolarHBondContact OD1-CA 3.11Å; D3125-C3127 WeakPolarHBondContact OD1-CB 3.21Å; D3125-C3127 PolarHBondContact OD1-N 2.86Å; D3125-C3127 PolarHBondContact OD1-SG 3.22Å; C3127-S3129 PolarHBondContact O-N 3.45Å
3128	Y	30.9	Very low	33.8	Very low	211 Å²	211	137.7 Å²	137.7	83%	0.827	74%	0.74	S	S	*	*			trans	-105.7	126.4	144.2	-74.5	-85.5	0	0	0	112.6	R3126	R3126-Y3128 PolarHBondContact O-N 3.35Å
3129	S	31	Very low	33.5	Very low	102.5 Å²	102.5	136.8 Å²	136.8	72%	0.717	74%	0.74	S	S	*	*			trans	97.8	126.7	140.5	-58.9	0	0	0	0	115.2	C3127	C3127-S3129 PolarHBondContact O-N 3.45Å
3130	T	32.2	Very low	33.5	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	74%	0.742	S	S	*	*				-67.1	158.3	67.8	4.6	0	0	0	0	114.7	S3132	T3130-S3132 VanDerWaalsContact C-N 3.33Å; T3130-S3132 PolarHBondContact O-N 3.34Å
3131	P	34.9	Very low	33.4	Very low	121.25 Å²	121.25	134.5 Å²	134.5	79%	0.787	74%	0.739	S	S	*	*				-118.2	160.6	103.9	38.3	-24.8	0	0	0	114.6	G3133	P3131-G3133 PolarHBondContact O-N 3.22Å
3132	S	31.3	Very low	33.6	Very low	95.25 Å²	95.25	133.8 Å²	133.8	67%	0.666	74%	0.735	S	S	*	*			trans	-114.8	126.9	177.3	80.4	0	0	0	0	110.1	D2634 T3130 Y3134	D2634-S3132 CarbonylContact O-C 2.71Å; D2634-S3132 VanDerWaalsContact O-C 3.25Å; D2634-S3132 WeakPolarHBondContact O-CB 2.8Å; D2634-S3132 PolarHBondContact O-OG 3.09Å; D2634-S3132 VanDerWaalsContact O-OG 3.07Å; T3130-S3132 VanDerWaalsContact C-N 3.33Å; T3130-S3132 PolarHBondContact O-N 3.34Å; S3132-Y3134 VanDerWaalsContact C-N 3.35Å; S3132-Y3134 PolarHBondContact O-N 2.78Å
3133	G	30.8	Very low	33.6	Very low	66.5 Å²	66.5	132.6 Å²	132.6	69%	0.686	74%	0.735	S	S	*	*			trans	-83.9	145.5	177.7	0	0	0	0	0	114.4	D2634 S2635 P3131	D2634-G3133 CarbonylContact O-C 3.55Å; D2634-G3133 WeakPolarHBondContact O-CA 3.09Å; D2634-G3133 PolarHBondContact O-N 3.02Å; S2635-G3133 VanDerWaalsContact O-CA 3.24Å; S2635-G3133 WeakPolarHBondContact O-CA 3.12Å; S2635-G3133 PolarHBondContact O-N 3.36Å; P3131-G3133 PolarHBondContact O-N 3.22Å
3134	Y	31.1	Very low	33.4	Very low	189.75 Å²	189.75	137.4 Å²	137.4	74%	0.744	74%	0.742	S	S	*	*				-124.5	139.9	93.8	-112.2	-69.2	0	0	0	111.7	D2634 S2635 L2636 S3132	D2634-Y3134 HydrophobicContact CB-CD2 3.54Å; D2634-Y3134 HydrophobicContact CB-CE2 4.1Å; D2634-Y3134 HydrophobicContact CB-CG 4.09Å; D2634-Y3134 WeakPolarHBondContact OD2-CE2 3.38Å; S2635-Y3134 WeakPolarHBondContact O-CA 3.47Å; S2635-Y3134 WeakPolarHBondContact O-CB 3.15Å; S2635-Y3134 WeakPolarHBondContact O-CD1 3.38Å; L2636-Y3134 HydrophobicContact CB-CD1 4.2Å; L2636-Y3134 HydrophobicContact CB-CE1 4.2Å; L2636-Y3134 HydrophobicContact CD1-CE1 4.44Å; L2636-Y3134 WeakPolarHBondContact O-CA 3.41Å; S3132-Y3134 VanDerWaalsContact C-N 3.35Å; S3132-Y3134 PolarHBondContact O-N 2.78Å
3135	L	31.8	Very low	33.4	Very low	127.75 Å²	127.75	135 Å²	135	67%	0.669	74%	0.738	S	S	*	*				77.6	143.3	127.9	-131.9	113.1	0	0	0	117.4	L3137	L3135-L3137 PolarHBondContact O-N 2.93Å
3136	E	33.1	Very low	33.4	Very low	170.75 Å²	170.75	133.2 Å²	133.2	80%	0.798	74%	0.735	S	S	*	*			trans	54.4	120.9	145.2	-88.8	163.8	171.9	0	0	116.3
3137	L	37	Very low	33.2	Very low	159 Å²	159	127.5 Å²	127.5	83%	0.832	73%	0.732	S	S	*	*			trans	-66.7	145.2	142.9	-68.3	169.7	0	0	0	111.7	L3135	L3135-L3137 PolarHBondContact O-N 2.93Å
3138	P	35.8	Very low	33.1	Very low	106.25 Å²	106.25	127.7 Å²	127.7	69%	0.69	73%	0.73	S	S	*	*				-132.1	170.8	81	37.6	-23.4	0	0	0	115.4
3139	D	29.4	Very low	33.4	Very low	142 Å²	142	127.1 Å²	127.1	76%	0.759	73%	0.727	S	S	*	*			trans	68.4	134	144.9	-76.5	-22.3	0	0	0	118.7
3140	L	35.6	Very low	33.6	Very low	165 Å²	165	126.9 Å²	126.9	86%	0.864	73%	0.726	S	S	*	*				138.7	119.1	129.9	-75.4	165.5	0	0	0	115.5
3141	G	32.8	Very low	33.7	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	73%	0.728	S	S	*	*			trans	-177.9	126.3	168.3	0	0	0	0	0	116.4
3142	Q	38.1	Very low	33.8	Very low	146.5 Å²	146.5	130.9 Å²	130.9	69%	0.685	73%	0.73	S	S	*	*			trans	-49.1	139.4	152.3	-65.2	-68.8	-38.7	0	0	112.8	Y3144 L3400 G3664 P3665	Q3142-Y3144 VanDerWaalsContact OE1-N 3.17Å; Q3142-L3400 PolarHBondContact NE2-O 2.96Å; Q3142-G3664 CarbonylContact O-C 3Å; Q3142-G3664 WeakPolarHBondContact O-CA 3.18Å; Q3142-P3665 HydrophobicContact CB-CB 3.93Å; Q3142-P3665 HydrophobicContact CB-CG 4.09Å; Q3142-P3665 WeakPolarHBondContact O-CA 2.92Å; Q3142-P3665 WeakPolarHBondContact O-CB 3.04Å; Q3142-P3665 WeakPolarHBondContact O-CD 3.34Å; Q3142-P3665 WeakPolarHBondContact O-CG 3.4Å
3143	P	37.5	Very low	34.1	Very low	104 Å²	104	134.1 Å²	134.1	68%	0.675	73%	0.734	S	S	*	*				-118.7	151.2	115.6	22.6	-11.4	0	0	0	117.2	G3664	P3143-G3664 WeakPolarHBondContact CG-O 3.35Å
3144	Y	33.2	Very low	34.4	Very low	198.25 Å²	198.25	138 Å²	138	78%	0.777	74%	0.735	S	S	*	*			trans	-19.6	155.7	153.6	-68.4	-83.2	0	0	0	117.9	E2404 L2405 Q3142	E2404-Y3144 HydrophobicContact CG-CE1 4.38Å; L2405-Y3144 HydrophobicContact CD2-CD1 3.41Å; L2405-Y3144 VanDerWaalsContact CD2-CD1 3.41Å; L2405-Y3144 HydrophobicContact CD2-CE1 3.77Å; L2405-Y3144 HydrophobicContact CD2-CG 4.46Å; L2405-Y3144 HydrophobicContact CG-CD1 4.08Å; L2405-Y3144 HydrophobicContact CG-CE1 3.9Å; Q3142-Y3144 VanDerWaalsContact OE1-N 3.17Å
3145	S	32.1	Very low	34.6	Very low	99.25 Å²	99.25	137.9 Å²	137.9	69%	0.694	73%	0.734	S	S	*	*			cis	-168.5	149.5	11.4	-165.2	0	0	0	0	109.3
3146	S	33.3	Very low	34.7	Very low	91.75 Å²	91.75	138.7 Å²	138.7	64%	0.642	74%	0.738	S	S	*	*			trans	-8.7	139.7	144.4	55	0	0	0	0	117.6	D2407	D2407-S3146 WeakPolarHBondContact CA-OG 3.17Å; D2407-S3146 VanDerWaalsContact OD1-CB 3.31Å; D2407-S3146 WeakPolarHBondContact OD1-CB 3.25Å; D2407-S3146 PolarHBondContact OD1-OG 2.79Å
3147	A	32.9	Very low	34.8	Very low	86.75 Å²	86.75	133.8 Å²	133.8	72%	0.717	73%	0.734	S	S	*	*			trans	-163.4	136.7	146.9	0	0	0	0	0	111	P2406 Y3149	P2406-A3147 WeakPolarHBondContact CG-O 3.5Å; A3147-Y3149 PolarHBondContact O-N 3.19Å
3148	V	30.7	Very low	34.8	Very low	108.75 Å²	108.75	133.6 Å²	133.6	66%	0.659	73%	0.733	S	S	*	*			trans	-140.2	120.7	151.8	-161.9	0	0	0	0	111.4	P2406 D2407 Y2900	P2406-V3148 HydrophobicContact CB-CG2 4.01Å; P2406-V3148 HydrophobicContact CG-CB 3.92Å; P2406-V3148 HydrophobicContact CG-CG1 3.54Å; P2406-V3148 HydrophobicContact CG-CG2 3.5Å; D2407-V3148 HydrophobicContact CB-CG2 4Å; Y2900-V3148 HydrophobicContact CD1-CG1 4.26Å; Y2900-V3148 HydrophobicContact CE1-CG1 3.54Å; Y2900-V3148 HydrophobicContact CE2-CG1 4.3Å
3149	Y	35.7	Very low	34.9	Very low	198.25 Å²	198.25	132.6 Å²	132.6	78%	0.777	73%	0.733	S	S	*	*			trans	-121.6	128.5	133.9	-78.8	-80	0	0	0	110.4	Y2900 S2902 A3147	Y2900-Y3149 AromaticContact CD1-CD1 3.58Å; Y2900-Y3149 HydrophobicContact CD1-CD1 3.58Å; Y2900-Y3149 AromaticContact CD1-CE1 3.44Å; Y2900-Y3149 HydrophobicContact CD1-CE1 3.44Å; Y2900-Y3149 VanDerWaalsContact CD1-CE1 3.44Å; Y2900-Y3149 AromaticContact CE1-CD1 3.83Å; Y2900-Y3149 HydrophobicContact CE1-CD1 3.83Å; Y2900-Y3149 AromaticContact CE1-CE1 3.93Å; Y2900-Y3149 HydrophobicContact CE1-CE1 3.93Å; Y2900-Y3149 HydrophobicContact CG-CD1 4.45Å; Y2900-Y3149 AromaticContact CG-CE1 3.87Å; Y2900-Y3149 HydrophobicContact CG-CE1 3.87Å; S2902-Y3149 VanDerWaalsContact N-CZ 3.3Å; S2902-Y3149 PolarHBondContact N-OH 3.1Å; A3147-Y3149 PolarHBondContact O-N 3.19Å
3150	S	35.5	Very low	35.3	Very low	97.75 Å²	97.75	132.6 Å²	132.6	68%	0.684	73%	0.733	S	S	*	*				-157.2	142.5	114.9	-91.7	0	0	0	0	110.8
3151	L	35.2	Very low	35.4	Very low	155.75 Å²	155.75	130.8 Å²	130.8	82%	0.815	72%	0.724	S	S	*	*			trans	84.6	104.5	169.3	-125	167.5	0	0	0	114.6	E3153	L3151-E3153 HydrophobicContact CD2-CB 3.9Å; L3151-E3153 HydrophobicContact CD2-CG 3.62Å; L3151-E3153 PolarHBondContact O-N 3.02Å
3152	E	36.6	Very low	35.7	Very low	175.25 Å²	175.25	133.6 Å²	133.6	82%	0.819	73%	0.727	S	S	*	*			trans	-145.4	101.2	162.2	-84	161	178.6	0	0	110.6
3153	E	37.9	Very low	35.7	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.752	72%	0.722	S	S	*	*				47.4	115	100.8	-92.6	-169.9	-134	0	0	116.1	L3151	L3151-E3153 HydrophobicContact CD2-CB 3.9Å; L3151-E3153 HydrophobicContact CD2-CG 3.62Å; L3151-E3153 PolarHBondContact O-N 3.02Å
3154	Q	37.8	Very low	35.8	Very low	150.25 Å²	150.25	134.7 Å²	134.7	70%	0.702	72%	0.72	S	S	*	*				172.1	136.6	115.8	-99.2	-178.5	22.4	0	0	116.1
3155	Y	34.3	Very low	36.3	Very low	186.75 Å²	186.75	131.3 Å²	131.3	73%	0.732	71%	0.714	S	S	*	*			trans	64.2	109.2	153	-68.7	-78.6	0	0	0	121.1	E2665 Q2666	E2665-Y3155 VanDerWaalsContact C-OH 3.31Å; E2665-Y3155 PolarHBondContact O-OH 2.84Å; Q2666-Y3155 VanDerWaalsContact N-CZ 3.28Å; Q2666-Y3155 PolarHBondContact N-OH 2.98Å; Q2666-Y3155 WeakPolarHBondContact O-CD1 3.31Å; Q2666-Y3155 WeakPolarHBondContact O-CE1 3.46Å
3156	L	34.4	Very low	36.6	Very low	143.5 Å²	143.5	134.2 Å²	134.2	75%	0.751	71%	0.714	S	S	*	*				79.3	119.2	96.5	-158.1	89.7	0	0	0	119	Y2667 L2668 L3158	Y2667-L3156 WeakPolarHBondContact O-CD1 3.45Å; Y2667-L3156 VanDerWaalsContact O-CD2 3.3Å; Y2667-L3156 WeakPolarHBondContact O-CD2 3.14Å; L2668-L3156 VanDerWaalsContact O-CD2 3.23Å; L2668-L3156 WeakPolarHBondContact O-CD2 3.47Å; L3156-L3158 HydrophobicContact CD1-CD1 4.09Å; L3156-L3158 HydrophobicContact CG-CG 4.41Å
3157	G	36	Very low	36.9	Very low	68.5 Å²	68.5	137 Å²	137	71%	0.706	72%	0.715	S	S	*	*			trans	-167.5	108.5	161.5	0	0	0	0	0	110.9
3158	L	35.1	Very low	37.1	Very low	155.5 Å²	155.5	138.3 Å²	138.3	81%	0.814	71%	0.709	S	S	*	*				87.3	126	122.9	-68	174.3	0	0	0	112.4	G2669 L3156	G2669-L3158 PolarHBondContact N-O 2.6Å; G2669-L3158 CarbonylContact O-C 3.34Å; G2669-L3158 VanDerWaalsContact O-O 3.09Å; L3156-L3158 HydrophobicContact CD1-CD1 4.09Å; L3156-L3158 HydrophobicContact CG-CG 4.41Å
3159	A	39.6	Very low	37.5	Very low	84.75 Å²	84.75	140.5 Å²	140.5	70%	0.7	71%	0.713	S	S	*	*			trans	-168.9	106.6	152.5	0	0	0	0	0	112.8	G2669	G2669-A3159 WeakPolarHBondContact O-CB 3.48Å; G2669-A3159 PolarHBondContact O-N 2.73Å
3160	L	37.2	Very low	37.4	Very low	143 Å²	143	138.2 Å²	138.2	75%	0.749	71%	0.709	S	S	*	*				73.5	111.7	119.9	-60.5	-176.3	0	0	0	114.6	V3162	L3160-V3162 HydrophobicContact CB-CG2 4.03Å; L3160-V3162 HydrophobicContact CD2-CG2 3.68Å; L3160-V3162 HydrophobicContact CG-CG2 4.4Å
3161	D	36.8	Very low	37.5	Very low	126.25 Å²	126.25	140.8 Å²	140.8	68%	0.675	71%	0.711	S	S	*	*				120.5	132.4	94.5	-76.1	-36.6	0	0	0	115.7	A2671	A2671-D3161 WeakPolarHBondContact O-CB 2.87Å
3162	V	40.4	Very low	37.7	Very low	123.75 Å²	123.75	140.5 Å²	140.5	75%	0.75	71%	0.705	S	S	*	*				-63.1	113.1	121	-173.4	0	0	0	0	114	L3160	L3160-V3162 HydrophobicContact CB-CG2 4.03Å; L3160-V3162 HydrophobicContact CD2-CG2 3.68Å; L3160-V3162 HydrophobicContact CG-CG2 4.4Å
3163	D	38	Very low	37.7	Very low	108 Å²	108	140.3 Å²	140.3	58%	0.578	70%	0.704	S	S	*	*			trans	-157.3	147.7	136.3	-114.3	-19.1	0	0	0	115.3	I3165	D3163-I3165 HydrophobicContact CB-CD1 3.72Å; D3163-I3165 HydrophobicContact CB-CG1 4.09Å; D3163-I3165 WeakPolarHBondContact OD1-CD1 3.44Å; D3163-I3165 WeakPolarHBondContact OD1-CG1 3.34Å
3164	R	38.4	Very low	37.7	Very low	166 Å²	166	139.1 Å²	139.1	63%	0.626	70%	0.703	S	S	*	*				115	122.6	127.4	-93.3	169.3	-160.5	-161.2	-1.3	114	D2675 K3411 D3412	D2675-R3164 IonicContact OD1-CZ 2.56Å; D2675-R3164 IonicContact OD1-NH1 2.92Å; D2675-R3164 PolarHBondContact OD1-NH1 2.9Å; D2675-R3164 IonicContact OD2-CZ 2.7Å; D2675-R3164 VanDerWaalsContact OD2-CZ 3.25Å; D2675-R3164 IonicContact OD2-NH1 2.61Å; D2675-R3164 PolarHBondContact OD2-NH1 3.42Å; D2675-R3164 IonicContact OD2-NH2 3.73Å; D2675-R3164 PolarHBondContact OD2-NH2 2.76Å; R3164-K3411 HydrophobicContact CB-CD 3.73Å; R3164-K3411 HydrophobicContact CB-CG 4.12Å; R3164-K3411 HydrophobicContact CG-CD 3.95Å; R3164-D3412 IonicContact CZ-OD1 3.76Å; R3164-D3412 IonicContact NH1-OD1 3.65Å; R3164-D3412 PolarHBondContact NH1-OD1 3.4Å
3165	I	43.9	Very low	37.5	Very low	126.75 Å²	126.75	140 Å²	140	65%	0.65	71%	0.707	S	S	*	*				141.9	128.2	87	-66.4	165	0	0	0	113.6	D3163 K3167 K3411	D3163-I3165 HydrophobicContact CB-CD1 3.72Å; D3163-I3165 HydrophobicContact CB-CG1 4.09Å; D3163-I3165 WeakPolarHBondContact OD1-CD1 3.44Å; D3163-I3165 WeakPolarHBondContact OD1-CG1 3.34Å; I3165-K3167 HydrophobicContact CG2-CB 3.69Å; I3165-K3167 HydrophobicContact CG2-CD 4.34Å; I3165-K3167 HydrophobicContact CG2-CG 3.76Å; I3165-K3411 WeakPolarHBondContact O-CE 3.21Å; I3165-K3411 WeakPolarHBondContact O-CG 3.39Å
3166	K	40.1	Very low	37.4	Very low	159.25 Å²	159.25	133.9 Å²	133.9	69%	0.692	70%	0.701	S	S	*	*			trans	131.7	109.2	152.4	-75.5	170.5	-176.3	177.8	0	111.6	Q3413 E3414	K3166-Q3413 HydrophobicContact CD-CG 4.21Å; K3166-E3414 PolarHBondContact NZ-O 3.16Å; K3166-E3414 VanDerWaalsContact NZ-O 3.14Å
3167	K	38.2	Very low	37.7	Very low	151 Å²	151	133 Å²	133	66%	0.657	70%	0.704	S	S	*	*			cis	61.6	114	46.8	-119.4	-165	169.1	-116.8	0	112.7	I2677 K2678 K2679 I3165	I2677-K3167 HydrophobicContact CG2-CD 3.97Å; K2678-K3167 PolarHBondContact O-NZ 3.15Å; K2679-K3167 PolarHBondContact O-NZ 3.49Å; I3165-K3167 HydrophobicContact CG2-CB 3.69Å; I3165-K3167 HydrophobicContact CG2-CD 4.34Å; I3165-K3167 HydrophobicContact CG2-CG 3.76Å
3168	D	38.4	Very low	37.8	Very low	113.75 Å²	113.75	135.3 Å²	135.3	61%	0.608	71%	0.706	S	S	*	*				179	140.5	110.3	-66.2	-50.6	0	0	0	110.1
3169	Q	38.1	Very low	37.5	Very low	155.5 Å²	155.5	133.6 Å²	133.6	73%	0.727	71%	0.706	S	S	*	*				177.5	154.7	71.9	-95.3	173	-20.5	0	0	113.2	L2694	L2694-Q3169 VanDerWaalsContact CD1-C 3.45Å; L2694-Q3169 VanDerWaalsContact CD1-O 3.25Å; L2694-Q3169 WeakPolarHBondContact CD1-O 3.11Å
3170	E	34.6	Very low	37.4	Very low	150.5 Å²	150.5	134.6 Å²	134.6	70%	0.703	71%	0.705	S	S	*	*				73.9	130.8	108.9	-82.8	169.1	178.5	0	0	115.8	L2694	L2694-E3170 WeakPolarHBondContact CB-O 3.22Å; L2694-E3170 VanDerWaalsContact CD1-O 3.32Å; L2694-E3170 WeakPolarHBondContact CD1-O 3.45Å
3171	E	36.4	Very low	37.2	Very low	152.75 Å²	152.75	138.7 Å²	138.7	71%	0.714	71%	0.711	S	S	*	*				91	120.3	92.5	-72.1	173.8	150.7	0	0	115.2	L2694 S2695	L2694-E3171 VanDerWaalsContact C-CB 3.49Å; L2694-E3171 CarbonylContact C-O 3.45Å; L2694-E3171 WeakPolarHBondContact CA-O 3.01Å; L2694-E3171 HydrophobicContact CB-CB 3.77Å; L2694-E3171 WeakPolarHBondContact CB-O 3.49Å; L2694-E3171 WeakPolarHBondContact CD2-O 2.95Å; L2694-E3171 WeakPolarHBondContact CG-O 3.44Å; S2695-E3171 WeakPolarHBondContact CA-OE2 2.98Å; S2695-E3171 WeakPolarHBondContact CB-OE2 3.43Å; S2695-E3171 PolarHBondContact N-O 3.47Å; S2695-E3171 PolarHBondContact OG-OE2 2.88Å
3172	E	39.3	Very low	37	Very low	149.25 Å²	149.25	140.1 Å²	140.1	70%	0.697	72%	0.717	S	S	*	*				-177.9	140.1	84	-115.1	-178.1	171.4	0	0	111.7	R2693 R2696 D3174	R2693-E3172 PolarHBondContact NH1-O 3.49Å; R2696-E3172 HydrophobicContact CB-CG 4.26Å; R2696-E3172 WeakPolarHBondContact CD-OE1 3.41Å; R2696-E3172 WeakPolarHBondContact CG-OE1 3.3Å; R2696-E3172 IonicContact CZ-OE1 2.92Å; R2696-E3172 IonicContact NE-OE1 2.63Å; R2696-E3172 IonicContact NH1-OE1 3.93Å; R2696-E3172 PolarHBondContact NH1-OE1 2.92Å; E3172-D3174 PolarHBondContact O-N 2.73Å
3173	E	36.3	Very low	36.9	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	72%	0.717	S	S	*	*				-38.3	135.7	123.4	-59.6	175.5	149.2	0	0	115.2
3174	D	37.9	Very low	37	Very low	136.75 Å²	136.75	144.6 Å²	144.6	73%	0.731	73%	0.729	S	S	*	*				-157.6	142.3	122.3	-173.3	30.7	0	0	0	112.6	E3172 G3176	E3172-D3174 PolarHBondContact O-N 2.73Å; D3174-G3176 VanDerWaalsContact C-N 3.33Å; D3174-G3176 VanDerWaalsContact CG-N 3.35Å; D3174-G3176 PolarHBondContact O-N 3.07Å; D3174-G3176 WeakPolarHBondContact OD1-CA 3.42Å; D3174-G3176 PolarHBondContact OD1-N 2.98Å
3175	Q	33.7	Very low	37	Very low	167.5 Å²	167.5	144.4 Å²	144.4	78%	0.783	74%	0.735	S	S	*	*			trans	-95	96.1	-174.1	-62.2	-144	7.8	0	0	114.4	P3177	Q3175-P3177 VanDerWaalsContact O-CD 3.29Å; Q3175-P3177 WeakPolarHBondContact O-CD 3.27Å
3176	G	32	Very low	36.6	Very low	59.25 Å²	59.25	145.8 Å²	145.8	61%	0.611	74%	0.743	S	S	*	*			trans	-101.4	146.4	164	0	0	0	0	0	114	D3174 P3178	D3174-G3176 VanDerWaalsContact C-N 3.33Å; D3174-G3176 VanDerWaalsContact CG-N 3.35Å; D3174-G3176 PolarHBondContact O-N 3.07Å; D3174-G3176 WeakPolarHBondContact OD1-CA 3.42Å; D3174-G3176 PolarHBondContact OD1-N 2.98Å; G3176-P3178 VanDerWaalsContact C-CD 3.46Å; G3176-P3178 WeakPolarHBondContact O-CD 3.36Å
3177	P	42.3	Very low	36.5	Very low	125.5 Å²	125.5	145.6 Å²	145.6	82%	0.815	75%	0.749	S	S	*	*			trans	-88.4	152.1	-171.2	33.8	-34.1	0	0	0	114	Q3175	Q3175-P3177 VanDerWaalsContact O-CD 3.29Å; Q3175-P3177 WeakPolarHBondContact O-CD 3.27Å
3178	P	36.2	Very low	36.4	Very low	115.75 Å²	115.75	145.7 Å²	145.7	75%	0.752	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-110.2	163.3	-173.7	37.4	-32.3	0	0	0	116.7	G3176	G3176-P3178 VanDerWaalsContact C-CD 3.46Å; G3176-P3178 WeakPolarHBondContact O-CD 3.36Å
3179	C	29.4	Very low	36.6	Very low	121 Å²	121	145.8 Å²	145.8	82%	0.818	76%	0.756	S	S	*	*			trans	-82.8	146	176.3	-62.5	0	0	0	0	114.2	R3181	C3179-R3181 PolarHBondContact O-N 2.99Å
3180	P	37.1	Very low	36.7	Very low	104.25 Å²	104.25	143.8 Å²	143.8	68%	0.677	75%	0.754	S	S	*	*			trans	-75.3	131.5	-162.6	0.9	6.4	0	0	0	115.9	L2711 D2712 L3182	L2711-P3180 VanDerWaalsContact CB-CA 3.43Å; L2711-P3180 HydrophobicContact CB-CB 3.65Å; L2711-P3180 HydrophobicContact CB-CG 4Å; L2711-P3180 HydrophobicContact CD2-CG 4.06Å; L2711-P3180 HydrophobicContact CG-CB 4.46Å; L2711-P3180 HydrophobicContact CG-CG 4.48Å; D2712-P3180 WeakPolarHBondContact O-CB 3.4Å; P3180-L3182 PolarHBondContact O-N 3.45Å
3181	R	33.5	Very low	37	Very low	229.75 Å²	229.75	144.6 Å²	144.6	87%	0.867	76%	0.758	S	S	*	*			trans	-127.6	111	165.1	-77	-167.3	166.6	141.2	5.7	113.1	S2710 C3179	S2710-R3181 VanDerWaalsContact CB-C 3.44Å; S2710-R3181 VanDerWaalsContact CB-O 3.22Å; S2710-R3181 WeakPolarHBondContact CB-O 3.34Å; S2710-R3181 PolarHBondContact OG-O 3.47Å; C3179-R3181 PolarHBondContact O-N 2.99Å
3182	L	33	Very low	37.2	Very low	155.75 Å²	155.75	142.3 Å²	142.3	82%	0.815	76%	0.756	S	S	*	*			trans	-53.6	128.4	150.2	-66.7	166.4	0	0	0	113.8	S2710 P3180	S2710-L3182 WeakPolarHBondContact O-CA 3.41Å; S2710-L3182 WeakPolarHBondContact O-CD2 2.9Å; S2710-L3182 WeakPolarHBondContact O-CG 3.34Å; S2710-L3182 WeakPolarHBondContact OG-CA 3.37Å; P3180-L3182 PolarHBondContact O-N 3.45Å
3183	S	38.4	Very low	37	Very low	106.25 Å²	106.25	142.2 Å²	142.2	74%	0.743	76%	0.756	S	S	*	*			trans	163	96.9	145.7	54.5	0	0	0	0	115.3	S2710	S2710-S3183 PolarHBondContact OG-N 2.8Å; S2710-S3183 VanDerWaalsContact OG-N 3.1Å
3184	R	40.9	Very low	37.1	Very low	220.5 Å²	220.5	139.5 Å²	139.5	83%	0.832	75%	0.751	S	S	*	*				179.3	127.5	120.4	-99.7	-177.2	164.8	148.3	0.3	111.5
3185	E	38.3	Very low	37	Very low	162.25 Å²	162.25	139.6 Å²	139.6	76%	0.758	75%	0.75	S	S	*	*				81	109.9	99	-72.4	172.1	172.3	0	0	113.2
3186	L	34	Very low	37.2	Very low	154.75 Å²	154.75	139.4 Å²	139.4	81%	0.81	75%	0.75	S	S	*	*				91.5	113.4	75.3	-88.1	169.6	0	0	0	112.9
3187	L	37.8	Very low	37.4	Very low	155 Å²	155	142.1 Å²	142.1	81%	0.812	75%	0.75	S	S	*	*			trans	-171	140.9	133.1	-124.9	73.8	0	0	0	107.2
3188	E	36.1	Very low	37.2	Very low	153 Å²	153	141.2 Å²	141.2	72%	0.715	75%	0.747	S	S	*	*				138.2	124.9	52.6	-142.3	-167	173.5	0	0	109.9	Y3468	E3188-Y3468 WeakPolarHBondContact OE1-CE1 3.39Å; E3188-Y3468 PolarHBondContact OE1-OH 2.97Å
3189	V	42.7	Very low	37.1	Very low	116.5 Å²	116.5	143.1 Å²	143.1	71%	0.706	75%	0.75	S	S	*	*				144.4	130.8	116.7	-171.7	0	0	0	0	112.5	Y3468	V3189-Y3468 HydrophobicContact CG1-CE2 4.42Å
3190	V	40.5	Very low	37.4	Very low	114 Å²	114	143.2 Å²	143.2	69%	0.691	74%	0.742	S	S	*	*				108.3	110.1	128.1	-174.4	0	0	0	0	117	P3192 F3467	V3190-P3192 HydrophobicContact CG1-CG 4.31Å; V3190-F3467 HydrophobicContact CG1-CZ 4.17Å; V3190-F3467 HydrophobicContact CG2-CE1 3.82Å; V3190-F3467 HydrophobicContact CG2-CZ 4.15Å
3191	E	40.8	Very low	37.3	Very low	167.75 Å²	167.75	147.4 Å²	147.4	78%	0.784	75%	0.745	S	S	*	*			trans	-38.9	161.1	144.8	-67.2	175.3	142.7	0	0	116.1	R3408	E3191-R3408 PolarHBondContact O-NH2 3.42Å
3192	P	41.4	Very low	37.2	Very low	104 Å²	104	142 Å²	142	68%	0.675	74%	0.741	S	S	*	*				-135.1	166.4	74.4	31.4	-11.4	0	0	0	114.8	V3190	V3190-P3192 HydrophobicContact CG1-CG 4.31Å
3193	E	35.8	Very low	37.2	Very low	147 Å²	147	144.6 Å²	144.6	69%	0.687	74%	0.741	S	S	*	*			trans	71.6	115.9	154.5	-70.8	-163.2	164.1	0	0	117.4	R3737 R3738	E3193-R3737 IonicContact OE1-CZ 2.68Å; E3193-R3737 IonicContact OE1-NE 3.21Å; E3193-R3737 IonicContact OE1-NH2 3.84Å; E3193-R3737 PolarHBondContact OE1-NH2 2.84Å; E3193-R3738 IonicContact OE1-CZ 2.7Å; E3193-R3738 IonicContact OE1-NH1 3.87Å; E3193-R3738 PolarHBondContact OE1-NH1 3.5Å; E3193-R3738 IonicContact OE2-CZ 2.66Å; E3193-R3738 IonicContact OE2-NH1 2.84Å; E3193-R3738 PolarHBondContact OE2-NH1 2.89Å; E3193-R3738 IonicContact OE2-NH2 2.7Å
3194	V	37.2	Very low	37	Very low	113.5 Å²	113.5	144.5 Å²	144.5	69%	0.688	74%	0.74	S	S	*	*				64.2	127.5	91.8	-170.6	0	0	0	0	116.8	R3738	V3194-R3738 HydrophobicContact CB-CG 4.3Å; V3194-R3738 HydrophobicContact CG1-CB 3.96Å; V3194-R3738 HydrophobicContact CG1-CG 3.75Å; V3194-R3738 PolarHBondContact O-NE 3.4Å; V3194-R3738 PolarHBondContact O-NH2 3Å
3195	L	36.7	Very low	36.6	Very low	137.5 Å²	137.5	140 Å²	140	72%	0.72	74%	0.737	S	S	*	*			trans	-152.7	128.7	152.1	-92.1	179.4	0	0	0	109.9	D3197 K3736 R3738	L3195-D3197 WeakPolarHBondContact CD2-OD2 3.11Å; L3195-K3736 HydrophobicContact CD1-CB 4.14Å; L3195-K3736 HydrophobicContact CD2-CB 3.67Å; L3195-K3736 HydrophobicContact CD2-CD 4.01Å; L3195-K3736 HydrophobicContact CD2-CG 4.5Å; L3195-K3736 HydrophobicContact CG-CB 4.47Å; L3195-R3738 HydrophobicContact CB-CG 3.9Å; L3195-R3738 VanDerWaalsContact CB-NE 3.27Å; L3195-R3738 HydrophobicContact CD2-CG 3.65Å; L3195-R3738 HydrophobicContact CG-CG 3.44Å; L3195-R3738 VanDerWaalsContact CG-CG 3.44Å; L3195-R3738 VanDerWaalsContact N-NE 3.12Å
3196	Q	37.9	Very low	36.3	Very low	164.5 Å²	164.5	137.6 Å²	137.6	77%	0.769	74%	0.736	S	S	*	*				94	115	104.2	-75.2	-169.8	-16.1	0	0	114.3
3197	D	36.3	Very low	36.2	Very low	115 Å²	115	134.6 Å²	134.6	62%	0.615	73%	0.728	S	S	*	*			trans	94.9	112.7	144.2	-64.1	-23.2	0	0	0	115.3	L3195 L3199 K3736 R3738 G3739	L3195-D3197 WeakPolarHBondContact CD2-OD2 3.11Å; D3197-L3199 HydrophobicContact CB-CG 4.49Å; D3197-K3736 HydrophobicContact CB-CD 4.49Å; D3197-K3736 PolarHBondContact O-NZ 2.94Å; D3197-R3738 PolarHBondContact OD1-N 2.79Å; D3197-R3738 PolarHBondContact OD2-N 3.07Å; D3197-G3739 WeakPolarHBondContact OD1-CA 3.2Å
3198	S	37.7	Very low	35.9	Very low	107.25 Å²	107.25	131.2 Å²	131.2	75%	0.75	72%	0.717	S	S	*	*			trans	156.8	119.8	133.6	52.4	0	0	0	0	114.5	K3736	S3198-K3736 PolarHBondContact OG-NZ 3.1Å
3199	L	33.1	Very low	35.7	Very low	156.5 Å²	156.5	128.9 Å²	128.9	82%	0.819	72%	0.717	S	S	*	*			trans	-14.9	135.8	168.7	-60.7	170.4	0	0	0	111.7	D3197	D3197-L3199 HydrophobicContact CB-CG 4.49Å
3200	D	36.5	Very low	35.2	Very low	121.75 Å²	121.75	130 Å²	130	65%	0.651	72%	0.718	S	S	*	*				-164.5	161.9	96.7	-115.1	-20.3	0	0	0	114.6	C3202	D3200-C3202 PolarHBondContact O-N 3.4Å
3201	R	35.4	Very low	34.9	Very low	193 Å²	193	132.9 Å²	132.9	73%	0.728	72%	0.724	S	S	*	*			cis	-149.7	137.8	-29.5	-143.9	167.3	-142.2	161.9	-2.1	111.9	Y3203	R3201-Y3203 HydrophobicContact CG-CD2 4.02Å
3202	C	30.2	Very low	34.8	Very low	116 Å²	116	132.6 Å²	132.6	78%	0.784	72%	0.723	S	S	*	*			trans	-160.6	98	160.5	-87	0	0	0	0	113.9	D3200	D3200-C3202 PolarHBondContact O-N 3.4Å
3203	Y	33.3	Very low	34.7	Very low	211.333 Å²	211.333	132.7 Å²	132.7	83%	0.829	72%	0.723	S	S	*	*			trans	-137.7	144.1	170	-92.5	-61.2	0	0	0	108.5	R3201 T3205	R3201-Y3203 HydrophobicContact CG-CD2 4.02Å; Y3203-T3205 PolarHBondContact O-N 2.64Å
3204	S	35.4	Very low	34.6	Very low	103.333 Å²	103.333	132.4 Å²	132.4	72%	0.723	73%	0.726	S	S	*	*			trans	-153.7	127.5	-177.5	-73.7	0	0	0	0	113.4
3205	T	32.2	Very low	34.2	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	73%	0.73	S	S	*	*			trans	-79.5	133.1	152.7	-17.4	0	0	0	0	110.9	Y3203	Y3203-T3205 PolarHBondContact O-N 2.64Å
3206	P	32	Very low	34	Very low	111.667 Å²	111.667	131.3 Å²	131.3	73%	0.725	73%	0.734	S	S	*	*				-100.7	144.3	127.3	33.3	-31.3	0	0	0	111.8
3207	S	31.6	Very low	33.5	Very low	92 Å²	92	132 Å²	132	64%	0.643	74%	0.737	S	S	*	*				92.1	138.3	76.3	26.5	0	0	0	0	116.9
3208	S	30.5	Very low	33.2	Very low	82.6667 Å²	82.6667	131.5 Å²	131.5	58%	0.578	74%	0.741	S	S	*	*			trans	-139.4	170.5	161.9	61.1	0	0	0	0	110.1
3209	C	31.7	Very low	32.7	Very low	105 Å²	105	136.7 Å²	136.7	71%	0.709	75%	0.745	S	S	*	*			trans	27.5	117.5	-174.1	-20.5	0	0	0	0	117.7
3210	L	33.3	Very low	32.7	Very low	140.667 Å²	140.667	132.7 Å²	132.7	74%	0.736	74%	0.742	S	S	*	*				110.8	144.6	107	-78.9	168.8	0	0	0	115.2
3211	E	34.8	Very low	32.5	Very low	174.667 Å²	174.667	131.9 Å²	131.9	82%	0.816	75%	0.746	S	S	*	*			trans	63.3	133.6	136.6	-93.6	170.6	163.3	0	0	117.1
3212	Q	38.3	Very low	32.2	Very low	161.333 Å²	161.333	127.2 Å²	127.2	75%	0.754	74%	0.742	S	S	*	*			trans	-68.1	168.6	138.5	-58.1	-177.4	-77.1	0	0	113.1
3213	P	39.5	Very low	32.1	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	74%	0.744	S	S	*	*				-135.6	-176.8	-79.2	36.8	-17.3	0	0	0	114.1
3214	D	33.1	Very low	32.2	Very low	139.333 Å²	139.333	131 Å²	131	75%	0.745	75%	0.746	S	S	*	*			trans	97.3	130.5	152.5	-67	-40.3	0	0	0	117.2
3215	S	28.1	Very low	32	Very low	108.667 Å²	108.667	130.1 Å²	130.1	76%	0.76	74%	0.744	S	S	*	*			trans	87.6	124.2	136.5	60.2	0	0	0	0	118.5
3216	C	32.3	Very low	32.2	Very low	119.667 Å²	119.667	130.3 Å²	130.3	81%	0.809	74%	0.74	S	S	*	*			trans	91.1	104.4	147.7	-75.9	0	0	0	0	115.2
3217	Q	27.7	Very low	32.5	Very low	178.333 Å²	178.333	131.7 Å²	131.7	83%	0.833	74%	0.737	S	S	*	*				77.7	143.9	111.5	-75.5	-105.8	-30.1	0	0	114.2
3218	P	29.6	Very low	32.9	Very low	106.333 Å²	106.333	134.7 Å²	134.7	69%	0.69	74%	0.741	S	S	*	*			trans	-112.4	-166.3	-138.6	36.6	-23	0	0	0	114.5
3219	Y	28.3	Very low	33.3	Very low	216.333 Å²	216.333	138.8 Å²	138.8	85%	0.848	75%	0.748	S	S	*	*			trans	94.2	115.4	173.8	-87.7	-87.4	0	0	0	112.9
3220	G	33.3	Very low	33.6	Very low	72.3333 Å²	72.3333	141.6 Å²	141.6	75%	0.746	75%	0.75	S	S	*	*			trans	-102	126.4	148.6	0	0	0	0	0	113.9
3221	S	31.4	Very low	33.6	Very low	104.667 Å²	104.667	141.1 Å²	141.1	73%	0.732	75%	0.753	S	S	*	*			trans	-28.5	128.9	172.3	57	0	0	0	0	115.7
3222	S	28.4	Very low	33.5	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	75%	0.745	S	S	*	*				71.1	113.9	104.4	67.1	0	0	0	0	115.7
3223	F	29.2	Very low	33.3	Very low	186.333 Å²	186.333	137.3 Å²	137.3	82%	0.817	75%	0.75	S	S	*	*			trans	77.8	122.9	135.4	-78.1	-77.5	0	0	0	113.6
3224	Y	34.4	Very low	33.1	Very low	221.333 Å²	221.333	137.1 Å²	137.1	87%	0.868	75%	0.751	S	S	*	*				-109.5	139.1	101.4	-76.6	-88.2	0	0	0	112.6
3225	A	32.6	Very low	33.2	Very low	84.3333 Å²	84.3333	138.1 Å²	138.1	70%	0.697	76%	0.755	S	S	*	*				-170.7	150.2	71.1	0	0	0	0	0	110.9
3226	L	36.9	Very low	33.6	Very low	129.333 Å²	129.333	140 Å²	140	68%	0.677	76%	0.757	S	S	*	*			trans	-117.6	146	146.6	-95.9	171.1	0	0	0	110.9	E3414	L3226-E3414 WeakPolarHBondContact CD1-OE2 3.19Å; L3226-E3414 HydrophobicContact CD2-CG 4.38Å; L3226-E3414 WeakPolarHBondContact CD2-OE1 3.34Å; L3226-E3414 WeakPolarHBondContact CG-OE1 3.45Å; L3226-E3414 WeakPolarHBondContact CG-OE2 3.25Å
3227	E	38.4	Very low	33.9	Very low	141.333 Å²	141.333	140.4 Å²	140.4	66%	0.66	76%	0.755	S	S	*	*			trans	17.2	145.6	161.9	-71	147.3	-173	0	0	119.8	K3229 Q3413	E3227-K3229 WeakPolarHBondContact OE1-CE 3.36Å; E3227-K3229 IonicContact OE1-NZ 3.53Å; E3227-K3229 PolarHBondContact OE1-NZ 2.68Å; E3227-K3229 WeakPolarHBondContact OE2-CD 3.39Å; E3227-K3229 WeakPolarHBondContact OE2-CE 3.29Å; E3227-K3229 IonicContact OE2-NZ 3.42Å; E3227-K3229 PolarHBondContact OE2-NZ 3.48Å; E3227-Q3413 PolarHBondContact OE1-NE2 2.89Å; E3227-Q3413 PolarHBondContact OE1-OE1 3.49Å
3228	E	38.7	Very low	34.5	Very low	155.333 Å²	155.333	135.3 Å²	135.3	73%	0.726	75%	0.75	S	S	*	*				-123	141.6	108.6	-136.6	178.9	172.3	0	0	112.5	H3230	E3228-H3230 IonicContact OE2-CE1 3.7Å
3229	K	39.7	Very low	35	Very low	169.333 Å²	169.333	137.9 Å²	137.9	74%	0.736	75%	0.753	S	S	*	*			trans	-78.4	109.6	160.4	-66.2	173.7	-178.6	164.3	0	112.4	E3227	E3227-K3229 WeakPolarHBondContact OE1-CE 3.36Å; E3227-K3229 IonicContact OE1-NZ 3.53Å; E3227-K3229 PolarHBondContact OE1-NZ 2.68Å; E3227-K3229 WeakPolarHBondContact OE2-CD 3.39Å; E3227-K3229 WeakPolarHBondContact OE2-CE 3.29Å; E3227-K3229 IonicContact OE2-NZ 3.42Å; E3227-K3229 PolarHBondContact OE2-NZ 3.48Å
3230	H	37.2	Very low	35.7	Very low	162.333 Å²	162.333	133.3 Å²	133.3	75%	0.752	74%	0.742	S	S	*	*			trans	-48	131.3	133.1	-68	-57.9	0	0	0	113.4	E3228	E3228-H3230 IonicContact OE2-CE1 3.7Å
3231	V	33.6	Very low	36.2	Very low	131 Å²	131	137.1 Å²	137.1	79%	0.794	74%	0.74	S	S	*	*				-126	126.5	118.3	176.4	0	0	0	0	111.3	F3233	V3231-F3233 HydrophobicContact CG1-CD2 4.45Å; V3231-F3233 HydrophobicContact CG1-CE2 3.76Å; V3231-F3233 HydrophobicContact CG1-CZ 4.11Å
3232	G	33.8	Very low	36.6	Very low	63.3333 Å²	63.3333	139.3 Å²	139.3	65%	0.653	74%	0.737	S	S	*	*			trans	105.8	142.1	138.5	0	0	0	0	0	114.2
3233	F	34.1	Very low	37.2	Very low	193.333 Å²	193.333	144.3 Å²	144.3	85%	0.848	75%	0.747	S	S	*	*			trans	-120.1	149.4	156.8	-85.1	-91.4	0	0	0	110.5	V3231	V3231-F3233 HydrophobicContact CG1-CD2 4.45Å; V3231-F3233 HydrophobicContact CG1-CE2 3.76Å; V3231-F3233 HydrophobicContact CG1-CZ 4.11Å
3234	S	34.5	Very low	37.6	Very low	102.333 Å²	102.333	139 Å²	139	72%	0.716	75%	0.745	S	S	*	*				66.6	109.9	127.5	-48.7	0	0	0	0	115.4
3235	L	34.4	Very low	37.8	Very low	160.667 Å²	160.667	138.9 Å²	138.9	84%	0.841	75%	0.749	S	S	*	*				45.5	107.2	126.4	-68.5	173.7	0	0	0	113.6
3236	D	37.7	Very low	38.3	Very low	147.667 Å²	147.667	138.6 Å²	138.6	79%	0.79	75%	0.753	S	S	*	*				-167.5	136.5	127.2	-131.2	-13.3	0	0	0	114.8	G3238	D3236-G3238 PolarHBondContact O-N 3.14Å
3237	V	38.9	Very low	38.4	Very low	129 Å²	129	142.2 Å²	142.2	78%	0.782	76%	0.764	S	S	*	*			trans	14.8	104.3	156.1	-176	0	0	0	0	115.9	E3239	V3237-E3239 PolarHBondContact O-N 3.26Å; V3237-E3239 VanDerWaalsContact O-N 3.16Å
3238	G	39	Very low	38.5	Very low	70.6667 Å²	70.6667	145.2 Å²	145.2	73%	0.729	77%	0.774	S	S	*	*			trans	-149	66.7	172.9	0	0	0	0	0	117.8	D3236	D3236-G3238 PolarHBondContact O-N 3.14Å
3239	E	40.2	Very low	38.3	Very low	160.333 Å²	160.333	149.5 Å²	149.5	75%	0.749	78%	0.784	S	S	*	*			trans	33.6	128.8	155.1	-68.7	-170.9	159	0	0	121.5	L2788 S2789 V3237	L2788-E3239 VanDerWaalsContact CB-CD 3.48Å; L2788-E3239 HydrophobicContact CB-CG 4.47Å; L2788-E3239 VanDerWaalsContact CB-OE1 3.3Å; L2788-E3239 WeakPolarHBondContact CB-OE1 3.48Å; L2788-E3239 WeakPolarHBondContact CB-OE2 3.46Å; L2788-E3239 HydrophobicContact CD1-CG 4.04Å; L2788-E3239 VanDerWaalsContact CD1-OE2 3.26Å; L2788-E3239 WeakPolarHBondContact CD1-OE2 3.24Å; S2789-E3239 VanDerWaalsContact CB-OE1 3.24Å; S2789-E3239 WeakPolarHBondContact CB-OE1 3.25Å; S2789-E3239 PolarHBondContact OG-OE1 3.31Å; V3237-E3239 PolarHBondContact O-N 3.26Å; V3237-E3239 VanDerWaalsContact O-N 3.16Å
3240	I	44.1	Very low	38.3	Very low	120.667 Å²	120.667	153.6 Å²	153.6	62%	0.619	80%	0.795	S	S	*	*			trans	-120.7	107.9	167.1	-12.3	166.6	0	0	0	115.4	L2788 K3242 P3274 R3275	L2788-I3240 HydrophobicContact CD1-CB 4.36Å; L2788-I3240 HydrophobicContact CD1-CD1 3.66Å; L2788-I3240 HydrophobicContact CD1-CG1 3.8Å; L2788-I3240 HydrophobicContact CD1-CG2 3.62Å; I3240-K3242 VanDerWaalsContact C-N 3.31Å; I3240-K3242 HydrophobicContact CG2-CG 4.02Å; I3240-K3242 PolarHBondContact O-N 3.38Å; I3240-P3274 HydrophobicContact CD1-CB 3.78Å; I3240-P3274 HydrophobicContact CD1-CG 4.24Å; I3240-P3274 HydrophobicContact CG2-CB 3.94Å; I3240-R3275 HydrophobicContact CG2-CB 4.07Å; I3240-R3275 HydrophobicContact CG2-CG 4Å
3241	E	43.4	Very low	38.4	Very low	151.333 Å²	151.333	149.1 Å²	149.1	71%	0.707	79%	0.793	S	S	*	*			trans	-89.4	122.3	154.6	-84.5	-153.8	123.8	0	0	117	K3243 C3273 P3274 R3275	E3241-K3243 PolarHBondContact O-N 3.31Å; E3241-K3243 VanDerWaalsContact O-N 3.16Å; E3241-C3273 WeakPolarHBondContact OE1-CB 3.31Å; E3241-P3274 HydrophobicContact CG-CB 4.43Å; E3241-P3274 VanDerWaalsContact OE1-CA 3.29Å; E3241-P3274 WeakPolarHBondContact OE1-CA 2.86Å; E3241-R3275 HydrophobicContact CG-CG 4.47Å
3242	K	39.1	Very low	38.7	Very low	151.333 Å²	151.333	154.4 Å²	154.4	66%	0.658	80%	0.799	S	S	*	*			trans	-75.2	124.8	173	-70.2	174.8	179.4	162.2	0	114.5	I3240 C3273	I3240-K3242 VanDerWaalsContact C-N 3.31Å; I3240-K3242 HydrophobicContact CG2-CG 4.02Å; I3240-K3242 PolarHBondContact O-N 3.38Å; K3242-C3273 PolarHBondContact NZ-O 2.69Å
3243	K	41.7	Very low	39	Very low	199.333 Å²	199.333	162.8 Å²	162.8	87%	0.867	81%	0.81	S	S	*	*			trans	-142.2	132.6	133.1	-74.2	168.5	178.5	174.5	0	111.7	E3241	E3241-K3243 PolarHBondContact O-N 3.31Å; E3241-K3243 VanDerWaalsContact O-N 3.16Å
3244	G	38.3	Very low	39.5	Very low	74.6667 Å²	74.6667	158.7 Å²	158.7	77%	0.77	81%	0.806	S	S	*	*			trans	-152.2	106.1	153.5	0	0	0	0	0	113.4	G3246	G3244-G3246 PolarHBondContact O-N 3.21Å
3245	K	37.6	Very low	39.8	Very low	219.667 Å²	219.667	163.6 Å²	163.6	96%	0.955	81%	0.814	S	S	*	*			trans	-101.7	87.6	178.2	-74.8	-174	178.8	178.4	0	113.1	K3247	K3245-K3247 PolarHBondContact O-N 2.79Å
3246	G	42.8	Very low	40	Very low	76.6667 Å²	76.6667	164.3 Å²	164.3	79%	0.79	81%	0.811	S	S	*	*			trans	-135.6	91.8	177.4	0	0	0	0	0	114.3	G3244 K3248	G3244-G3246 PolarHBondContact O-N 3.21Å; G3246-K3248 PolarHBondContact O-N 2.85Å
3247	K	39.3	Very low	40	Very low	206.667 Å²	206.667	164.3 Å²	164.3	90%	0.899	81%	0.806	S	S	*	*			trans	-80.8	117.9	173.4	-71.5	-179.5	178.9	175.7	0	110.9	K3245 R3249	K3245-K3247 PolarHBondContact O-N 2.79Å; K3247-R3249 PolarHBondContact O-N 3.4Å
3248	K	39.9	Very low	40.2	Very low	202.667 Å²	202.667	167.3 Å²	167.3	88%	0.881	80%	0.803	S	S	*	*			trans	-131.1	102.4	160.6	-79.8	170.9	-176.8	172.6	0	114.2	G3246 R3250	G3246-K3248 PolarHBondContact O-N 2.85Å; K3248-R3250 PolarHBondContact O-N 2.68Å
3249	R	35.7	Very low	40.2	Very low	246 Å²	246	174.5 Å²	174.5	93%	0.928	81%	0.808	S	S	*	*			trans	27	113.8	148.8	-73.4	-175.5	167.7	-178.8	-3.5	117.5	K3247	K3247-R3249 PolarHBondContact O-N 3.4Å
3250	R	38.6	Very low	40.2	Very low	255 Å²	255	178.3 Å²	178.3	96%	0.962	82%	0.816	S	S	*	*			trans	-102.5	142.5	150.4	-82.4	173.6	173.3	-177.8	-0.5	109.8	K3248	K3248-R3250 PolarHBondContact O-N 2.68Å
3251	G	39.2	Very low	39.9	Very low	69 Å²	69	175.6 Å²	175.6	71%	0.711	82%	0.817	S	S	*	*			trans	139.9	134.5	146.5	0	0	0	0	0	113.9
3252	R	41.4	Very low	39.8	Very low	243 Å²	243	178.5 Å²	178.5	92%	0.917	82%	0.822	S	S	*	*				-161.3	134.7	119.2	-65.5	-177	173.8	-171.6	-1.6	110.8
3253	R	40.1	Very low	39.9	Very low	238.333 Å²	238.333	178.9 Å²	178.9	90%	0.899	82%	0.824	S	S	*	*			trans	-65.6	134	144.7	-73.1	174.5	176.6	168.1	-2.7	110.7
3254	S	43.5	Very low	39.7	Very low	107.667 Å²	107.667	174.9 Å²	174.9	75%	0.753	81%	0.808	S	S	*	*			trans	-132.8	121.7	173.8	51.9	0	0	0	0	111.5
3255	K	40.2	Very low	39.8	Very low	204.333 Å²	204.333	174 Å²	174	89%	0.888	80%	0.799	S	S	*	*			trans	-38.8	128.8	167	-65.5	174.7	178	178.1	0	113.3
3256	K	40.1	Very low	39.8	Very low	176.667 Å²	176.667	170.8 Å²	170.8	77%	0.768	79%	0.787	S	S	*	*			trans	-131	109.5	149.3	-131.1	160.3	-172.8	166.1	0	111.3	E3266 E3267	K3256-E3266 WeakPolarHBondContact CE-OE2 3.47Å; K3256-E3266 IonicContact NZ-OE2 2.97Å; K3256-E3267 VanDerWaalsContact NZ-CD 3.34Å; K3256-E3267 IonicContact NZ-OE1 3.95Å; K3256-E3267 PolarHBondContact NZ-OE1 2.87Å
3257	E	37.4	Very low	39.6	Very low	147.333 Å²	147.333	174.8 Å²	174.8	69%	0.688	79%	0.786	S	S	*	*				-43.6	130	121.1	-175	-169.3	172.4	0	0	113.6	R3259	E3257-R3259 HydrophobicContact CG-CG 4.39Å; E3257-R3259 IonicContact OE1-CZ 3.14Å; E3257-R3259 IonicContact OE1-NE 3.44Å; E3257-R3259 PolarHBondContact OE1-NE 2.67Å; E3257-R3259 IonicContact OE1-NH2 3.04Å; E3257-R3259 PolarHBondContact OE1-NH2 3.12Å; E3257-R3259 IonicContact OE2-NH2 3.37Å
3258	R	41.7	Very low	39.4	Very low	192.333 Å²	192.333	171.5 Å²	171.5	73%	0.726	78%	0.778	S	S	*	*				-151.8	98.4	128.7	-95	-167.8	100.1	167.3	2.8	113	R3260 E3266	R3258-R3260 PolarHBondContact O-N 2.76Å; R3258-R3260 VanDerWaalsContact O-N 3.15Å; R3258-E3266 VanDerWaalsContact CZ-CD 3.44Å; R3258-E3266 IonicContact CZ-OE1 3.8Å; R3258-E3266 IonicContact CZ-OE2 3.62Å; R3258-E3266 IonicContact NE-OE2 3.02Å; R3258-E3266 VanDerWaalsContact NH1-CD 3.26Å; R3258-E3266 IonicContact NH1-OE1 3.07Å; R3258-E3266 PolarHBondContact NH1-OE1 2.9Å; R3258-E3266 IonicContact NH1-OE2 2.92Å; R3258-E3266 PolarHBondContact NH1-OE2 2.87Å; R3258-E3266 IonicContact NH2-OE1 2.89Å; R3258-E3266 PolarHBondContact NH2-OE1 2.63Å; R3258-E3266 IonicContact NH2-OE2 3.7Å; R3258-E3266 PolarHBondContact NH2-OE2 2.95Å
3259	R	39.2	Very low	39.5	Very low	222 Å²	222	169.7 Å²	169.7	84%	0.838	77%	0.772	S	S	*	*			trans	-80.9	122.8	173.5	-70.6	-173.8	179.3	-170	-2.6	112.9	E3257	E3257-R3259 HydrophobicContact CG-CG 4.39Å; E3257-R3259 IonicContact OE1-CZ 3.14Å; E3257-R3259 IonicContact OE1-NE 3.44Å; E3257-R3259 PolarHBondContact OE1-NE 2.67Å; E3257-R3259 IonicContact OE1-NH2 3.04Å; E3257-R3259 PolarHBondContact OE1-NH2 3.12Å; E3257-R3259 IonicContact OE2-NH2 3.37Å
3260	R	40.2	Very low	39.6	Very low	239.333 Å²	239.333	165.1 Å²	165.1	90%	0.903	77%	0.766	S	S	*	*			trans	-59.8	125.3	156.9	-70.8	177.7	170.2	174.3	-5.6	111.8	R3258	R3258-R3260 PolarHBondContact O-N 2.76Å; R3258-R3260 VanDerWaalsContact O-N 3.15Å
3261	G	37.5	Very low	39.7	Very low	63.6667 Å²	63.6667	158.6 Å²	158.6	66%	0.656	76%	0.757	S	S	*	*			trans	170.7	70.6	141.5	0	0	0	0	0	114.4	K2775	K2775-G3261 WeakPolarHBondContact CE-O 3.25Å
3262	R	41.3	Very low	39.6	Very low	212 Å²	212	160.7 Å²	160.7	80%	0.8	76%	0.758	S	S	*	*			trans	60.5	131.8	-175.6	-71.2	-173.6	173.4	-167.8	-0.3	115.6	E2776 E3264	E2776-R3262 VanDerWaalsContact OE1-CB 3.25Å; E2776-R3262 WeakPolarHBondContact OE1-CB 3.23Å; R3262-E3264 VanDerWaalsContact CD-OE1 3.24Å; R3262-E3264 WeakPolarHBondContact CD-OE1 3.44Å; R3262-E3264 IonicContact CZ-OE1 2.6Å; R3262-E3264 VanDerWaalsContact CZ-OE1 3.22Å; R3262-E3264 IonicContact NE-OE1 3.79Å; R3262-E3264 PolarHBondContact NE-OE1 3.22Å; R3262-E3264 IonicContact NH1-OE1 3.64Å; R3262-E3264 PolarHBondContact NH1-OE1 3.29Å
3263	K	41.9	Very low	39.1	Very low	160 Å²	160	154.1 Å²	154.1	70%	0.696	75%	0.748	S	S	*	*				-163.2	137	74.1	-115.4	-170.8	156.8	-93.3	0	107.7	E2776 E2778	E2776-K3263 VanDerWaalsContact CG-O 3.3Å; E2776-K3263 WeakPolarHBondContact CG-O 3.44Å; E2778-K3263 IonicContact OE1-NZ 2.69Å; E2778-K3263 PolarHBondContact OE1-NZ 2.77Å; E2778-K3263 IonicContact OE2-NZ 3.55Å
3264	E	38.4	Very low	38.9	Very low	116.333 Å²	116.333	147.5 Å²	147.5	54%	0.544	74%	0.736	S	S	.	*			trans	-108.3	151.7	140.7	-75.5	101.3	-177	0	0	109.1	E2776 G2777 E2778 R3262	E2776-E3264 VanDerWaalsContact CG-OE2 3.23Å; E2776-E3264 WeakPolarHBondContact CG-OE2 3.32Å; G2777-E3264 CarbonylContact C-O 3.54Å; G2777-E3264 WeakPolarHBondContact CA-O 3.3Å; E2778-E3264 HydrophobicContact CB-CB 3.33Å; E2778-E3264 HydrophobicContact CB-CG 3.59Å; E2778-E3264 HydrophobicContact CG-CB 4.11Å; E2778-E3264 HydrophobicContact CG-CG 3.99Å; E2778-E3264 PolarHBondContact N-O 3.01Å; E2778-E3264 WeakPolarHBondContact OE1-CG 3.03Å; E2778-E3264 WeakPolarHBondContact OE2-CA 2.93Å; E2778-E3264 WeakPolarHBondContact OE2-CB 3.06Å; E2778-E3264 WeakPolarHBondContact OE2-CG 2.98Å; R3262-E3264 VanDerWaalsContact CD-OE1 3.24Å; R3262-E3264 WeakPolarHBondContact CD-OE1 3.44Å; R3262-E3264 IonicContact CZ-OE1 2.6Å; R3262-E3264 VanDerWaalsContact CZ-OE1 3.22Å; R3262-E3264 IonicContact NE-OE1 3.79Å; R3262-E3264 PolarHBondContact NE-OE1 3.22Å; R3262-E3264 IonicContact NH1-OE1 3.64Å; R3262-E3264 PolarHBondContact NH1-OE1 3.29Å
3265	G	39.1	Very low	38.3	Very low	55.6667 Å²	55.6667	152.6 Å²	152.6	57%	0.574	74%	0.739	S	S	*	*			trans	-175.8	158	176.9	0	0	0	0	0	110.6	E2778 E2779	E2778-G3265 WeakPolarHBondContact OE2-CA 3.38Å; E2778-G3265 PolarHBondContact OE2-N 3.24Å; E2779-G3265 VanDerWaalsContact OE1-CA 3.31Å; E2779-G3265 WeakPolarHBondContact OE1-CA 3.34Å
3266	E	39.4	Very low	38.1	Very low	151.667 Å²	151.667	150.6 Å²	150.6	71%	0.709	74%	0.737	S	S	*	*			trans	-167.2	-173.7	-179.2	-148.6	151.5	143.3	0	0	117.3	E2779 K3256 R3258	E2779-E3266 PolarHBondContact OE1-N 3.28Å; K3256-E3266 WeakPolarHBondContact CE-OE2 3.47Å; K3256-E3266 IonicContact NZ-OE2 2.97Å; R3258-E3266 VanDerWaalsContact CZ-CD 3.44Å; R3258-E3266 IonicContact CZ-OE1 3.8Å; R3258-E3266 IonicContact CZ-OE2 3.62Å; R3258-E3266 IonicContact NE-OE2 3.02Å; R3258-E3266 VanDerWaalsContact NH1-CD 3.26Å; R3258-E3266 IonicContact NH1-OE1 3.07Å; R3258-E3266 PolarHBondContact NH1-OE1 2.9Å; R3258-E3266 IonicContact NH1-OE2 2.92Å; R3258-E3266 PolarHBondContact NH1-OE2 2.87Å; R3258-E3266 IonicContact NH2-OE1 2.89Å; R3258-E3266 PolarHBondContact NH2-OE1 2.63Å; R3258-E3266 IonicContact NH2-OE2 3.7Å; R3258-E3266 PolarHBondContact NH2-OE2 2.95Å
3267	E	38.2	Very low	37.9	Very low	161.667 Å²	161.667	147 Å²	147	76%	0.755	73%	0.734	S	S	*	*			trans	177.1	130.2	-138.4	-90.7	169.8	-173.1	0	0	118.2	K3256	K3256-E3267 VanDerWaalsContact NZ-CD 3.34Å; K3256-E3267 IonicContact NZ-OE1 3.95Å; K3256-E3267 PolarHBondContact NZ-OE1 2.87Å
3268	D	35.5	Very low	38	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	74%	0.741	S	S	*	*			trans	56.1	148.5	133.7	-134.9	8	0	0	0	125.4	N3270	D3268-N3270 PolarHBondContact OD1-ND2 3.42Å
3269	Q	41.6	Very low	37.8	Very low	164 Å²	164	148.9 Å²	148.9	77%	0.766	74%	0.741	S	S	*	*			trans	127.4	127.6	151.1	-58.5	-150.7	18	0	0	118.5
3270	N	37.1	Very low	37.6	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	74%	0.737	S	S	*	*			trans	-125.2	159.6	167.6	-77.9	-90.2	0	0	0	111.6	D3268	D3268-N3270 PolarHBondContact OD1-ND2 3.42Å
3271	P	39.9	Very low	37.6	Very low	118.333 Å²	118.333	140.3 Å²	140.3	77%	0.768	73%	0.728	S	S	*	*			trans	-113.8	-171	-179.2	39.6	-27.2	0	0	0	113.7
3272	P	37.4	Very low	37.7	Very low	112 Å²	112	143.2 Å²	143.2	73%	0.727	73%	0.729	S	S	*	*				-114.9	172.8	-106.1	38.5	-25.8	0	0	0	116
3273	C	30.8	Very low	37.5	Very low	105.667 Å²	105.667	141.7 Å²	141.7	71%	0.714	73%	0.731	S	S	*	*			trans	-85.5	158.6	-179.2	-47.1	0	0	0	0	115.1	E3241 K3242	E3241-C3273 WeakPolarHBondContact OE1-CB 3.31Å; K3242-C3273 PolarHBondContact NZ-O 2.69Å
3274	P	36.4	Very low	37.4	Very low	99.3333 Å²	99.3333	142.7 Å²	142.7	65%	0.645	74%	0.736	S	S	*	*			trans	-92.8	169.8	156.5	-0.3	18.5	0	0	0	114.3	P2786 L2788 I3240 E3241	P2786-P3274 HydrophobicContact CB-CG 4.11Å; P2786-P3274 HydrophobicContact CG-CG 4.27Å; L2788-P3274 HydrophobicContact CD1-CB 4.11Å; L2788-P3274 HydrophobicContact CD1-CG 4.33Å; I3240-P3274 HydrophobicContact CD1-CB 3.78Å; I3240-P3274 HydrophobicContact CD1-CG 4.24Å; I3240-P3274 HydrophobicContact CG2-CB 3.94Å; E3241-P3274 HydrophobicContact CG-CB 4.43Å; E3241-P3274 VanDerWaalsContact OE1-CA 3.29Å; E3241-P3274 WeakPolarHBondContact OE1-CA 2.86Å
3275	R	32	Very low	37	Very low	215 Å²	215	140.8 Å²	140.8	81%	0.811	75%	0.747	S	S	*	*			trans	-101.4	164.8	-178.1	-78.2	-179.6	168.8	167.5	-6	112.3	I3240 E3241	I3240-R3275 HydrophobicContact CG2-CB 4.07Å; I3240-R3275 HydrophobicContact CG2-CG 4Å; E3241-R3275 HydrophobicContact CG-CG 4.47Å
3276	L	35.1	Very low	37	Very low	161.667 Å²	161.667	144 Å²	144	85%	0.846	76%	0.758	S	S	*	*			trans	102.4	141.3	159.6	-57.8	-179.5	0	0	0	112.8	L2788	L2788-L3276 HydrophobicContact CD2-CD1 3.6Å; L2788-L3276 HydrophobicContact CD2-CG 4.15Å
3277	S	35.7	Very low	36.7	Very low	100 Å²	100	146 Å²	146	70%	0.699	77%	0.767	S	S	*	*			cis	-134.6	140.6	-20.7	47.2	0	0	0	0	111.8	E3279	S3277-E3279 PolarHBondContact O-N 3.14Å; S3277-E3279 VanDerWaalsContact O-N 3.08Å
3278	R	39.6	Very low	36.5	Very low	221.667 Å²	221.667	144.7 Å²	144.7	84%	0.836	77%	0.769	S	S	*	*			trans	137.9	123.2	166.3	-113.8	-179.8	154.7	144.4	5.9	110.9
3279	E	37	Very low	36.4	Very low	158.333 Å²	158.333	145.5 Å²	145.5	74%	0.74	77%	0.773	S	S	*	*			cis	-130.5	134.4	45	-77.3	173.5	167.3	0	0	108.6	S3277	S3277-E3279 PolarHBondContact O-N 3.14Å; S3277-E3279 VanDerWaalsContact O-N 3.08Å
3280	L	36.6	Very low	36.1	Very low	143 Å²	143	146.5 Å²	146.5	75%	0.749	78%	0.778	S	S	*	*				-128	158.1	56.6	-74.5	167	0	0	0	110.7
3281	L	40.3	Very low	36	Very low	137.667 Å²	137.667	147 Å²	147	72%	0.721	78%	0.78	S	S	*	*				-162.5	150.4	123.2	-89.1	172.7	0	0	0	113.1
3282	D	39.2	Very low	35.8	Very low	124.667 Å²	124.667	146.2 Å²	146.2	67%	0.667	78%	0.778	S	S	*	*			trans	-61.6	157.1	171.7	-54.4	-46.5	0	0	0	115.1
3283	E	36.1	Very low	35.8	Very low	182 Å²	182	148.7 Å²	148.7	85%	0.85	78%	0.784	S	S	*	*			cis	-129.4	162.1	-17.9	-104.9	-168.5	157.3	0	0	111.4
3284	K	39.4	Very low	35.9	Very low	180.667 Å²	180.667	150.6 Å²	150.6	79%	0.786	79%	0.787	S	S	*	*			trans	-102.2	121.3	162.1	-68.3	-92.6	179.1	-175.5	0	114.4
3285	G	31.7	Very low	35.7	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	79%	0.794	S	S	*	*			trans	156.3	117.6	162	0	0	0	0	0	113.7
3286	P	38.1	Very low	35.7	Very low	124.667 Å²	124.667	150.5 Å²	150.5	81%	0.81	79%	0.789	S	S	*	*			trans	-105.8	130.2	175.3	35.5	-26.5	0	0	0	112.5
3287	E	34	Very low	35.5	Very low	193.333 Å²	193.333	153.2 Å²	153.2	90%	0.903	79%	0.789	S	S	*	*			trans	-141.3	137.4	161.9	-86.8	177.3	178.5	0	0	111
3288	V	33.6	Very low	35.2	Very low	133 Å²	133	153.5 Å²	153.5	81%	0.806	79%	0.791	S	S	*	*			trans	-101.6	106.3	171.8	-175.7	0	0	0	0	109.4
3289	L	33.5	Very low	35	Very low	155.333 Å²	155.333	149.4 Å²	149.4	81%	0.813	79%	0.791	S	S	*	*			trans	97	84.2	152	-65.7	176.7	0	0	0	113.9	D3291	L3289-D3291 VanDerWaalsContact C-N 3.28Å; L3289-D3291 PolarHBondContact O-N 3.09Å
3290	Q	35.9	Very low	35	Very low	184.667 Å²	184.667	147.5 Å²	147.5	86%	0.863	79%	0.793	S	S	*	*			trans	-143.4	86.1	131.6	-96.2	172.5	17.5	0	0	111.5	S3292	Q3290-S3292 PolarHBondContact O-N 3.14Å
3291	D	33.1	Very low	34.8	Very low	160.667 Å²	160.667	146.6 Å²	146.6	86%	0.859	80%	0.798	S	S	*	*			trans	-91.3	104.8	156.2	-94	-41.1	0	0	0	108.1	L3289	L3289-D3291 VanDerWaalsContact C-N 3.28Å; L3289-D3291 PolarHBondContact O-N 3.09Å
3292	S	37.1	Very low	34.3	Very low	101.667 Å²	101.667	143.3 Å²	143.3	71%	0.711	80%	0.798	S	S	*	*			trans	-156.7	70.8	177	-46.9	0	0	0	0	111.3	Q3290	Q3290-S3292 PolarHBondContact O-N 3.14Å
3293	L	36	Very low	33.9	Very low	165 Å²	165	143.1 Å²	143.1	86%	0.864	80%	0.804	S	S	*	*			trans	-61.6	122.5	165.6	-70.8	171.5	0	0	0	113.8	R3295	L3293-R3295 PolarHBondContact O-N 3.47Å
3294	D	33	Very low	33.8	Very low	145.667 Å²	145.667	141.5 Å²	141.5	78%	0.779	80%	0.801	S	S	*	*			trans	-25.3	115.1	163.5	-70.6	-65.8	0	0	0	115.3	C3296	D3294-C3296 PolarHBondContact O-N 3.48Å
3295	R	33	Very low	33.6	Very low	209.667 Å²	209.667	140.8 Å²	140.8	79%	0.791	80%	0.8	S	S	*	*			trans	-142.8	98.9	131.6	-147.4	175.4	-132.7	-146.5	-1.4	114.7	D2806 L3293	D2806-R3295 WeakPolarHBondContact O-CD 3.4Å; D2806-R3295 PolarHBondContact O-NH1 2.69Å; L3293-R3295 PolarHBondContact O-N 3.47Å
3296	C	31.9	Very low	33.8	Very low	103 Å²	103	143.9 Å²	143.9	70%	0.696	80%	0.799	S	S	*	*			trans	-86.4	140.8	160.5	-59.4	0	0	0	0	115.4	D3294	D3294-C3296 PolarHBondContact O-N 3.48Å
3297	Y	30.5	Very low	33.7	Very low	217 Å²	217	143.7 Å²	143.7	85%	0.851	80%	0.795	S	S	*	*			trans	74.7	114.5	170.4	-56.8	-75.6	0	0	0	113.5
3298	S	30.7	Very low	33.7	Very low	107.333 Å²	107.333	139.4 Å²	139.4	75%	0.751	78%	0.778	S	S	*	*				163.8	128.6	62.4	-90.2	0	0	0	0	113.1
3299	T	33.7	Very low	33.7	Very low	135.333 Å²	135.333	136.5 Å²	136.5	83%	0.83	76%	0.764	S	S	*	*			trans	-113.6	156.3	164.1	0.5	0	0	0	0	114.2
3300	P	37.8	Very low	33.7	Very low	119 Å²	119	134.4 Å²	134.4	77%	0.773	76%	0.761	S	S	*	*			trans	-112.7	174.6	-133.1	42	-33.3	0	0	0	113.5
3301	S	31.8	Very low	33.3	Very low	122.333 Å²	122.333	133.3 Å²	133.3	86%	0.855	76%	0.756	S	S	*	*				-177.1	151	118.8	50.3	0	0	0	0	111.2
3302	G	31.3	Very low	33.5	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	75%	0.748	S	S	*	*			trans	120.8	120.5	131.6	0	0	0	0	0	115
3303	C	30.7	Very low	33.1	Very low	119.333 Å²	119.333	136.3 Å²	136.3	81%	0.806	76%	0.755	S	S	*	*			trans	82.3	154.9	173.5	-58.4	0	0	0	0	114.4
3304	L	32.5	Very low	32.8	Very low	148.667 Å²	148.667	139.7 Å²	139.7	78%	0.778	76%	0.756	S	S	*	*			cis	103.2	147.6	49.9	-78.1	170.7	0	0	0	111.9
3305	E	36.8	Very low	32.7	Very low	165.667 Å²	165.667	138 Å²	138	77%	0.774	76%	0.756	S	S	*	*			cis	-130.3	158.8	7.2	-93.6	136.3	-140.6	0	0	113.5
3306	L	34.1	Very low	32.6	Very low	141.333 Å²	141.333	132.6 Å²	132.6	74%	0.74	76%	0.757	S	S	*	*				-96.6	157.7	126.5	-86.5	175.4	0	0	0	115.4	E3577	L3306-E3577 VanDerWaalsContact CA-OE1 3.3Å; L3306-E3577 WeakPolarHBondContact CA-OE1 3.47Å; L3306-E3577 HydrophobicContact CD2-CG 4.43Å; L3306-E3577 PolarHBondContact N-OE1 3.32Å
3307	T	36.7	Very low	32.6	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	76%	0.762	S	S	*	*			trans	-149	131.2	169.7	-11.7	0	0	0	0	110.8	I3578	T3307-I3578 PolarHBondContact O-N 3.4Å
3308	D	34.2	Very low	32.5	Very low	103.333 Å²	103.333	136.8 Å²	136.8	55%	0.553	76%	0.763	S	S	*	*			trans	-110.8	168.4	166	-130.9	17.6	0	0	0	113.6	F2735 M3575 D3576 E3577 I3578	F2735-D3308 HydrophobicContact CE2-CB 4.24Å; F2735-D3308 HydrophobicContact CZ-CB 4.1Å; D3308-M3575 WeakPolarHBondContact CB-O 3.1Å; D3308-M3575 VanDerWaalsContact OD2-C 3.28Å; D3308-M3575 WeakPolarHBondContact OD2-CE 3.32Å; D3308-D3576 PolarHBondContact OD2-N 3.32Å; D3308-E3577 WeakPolarHBondContact OD1-CA 3.48Å; D3308-I3578 PolarHBondContact OD1-N 2.61Å; D3308-I3578 VanDerWaalsContact OD1-N 3.08Å
3309	S	33	Very low	32.8	Very low	72.3333 Å²	72.3333	138.8 Å²	138.8	51%	0.506	76%	0.764	S	S	.	*			trans	-132.8	152.9	172.9	66	0	0	0	0	114.2	F2735 I3578	F2735-S3309 WeakPolarHBondContact CD2-O 3.38Å; F2735-S3309 WeakPolarHBondContact CE2-O 3.23Å; F2735-S3309 VanDerWaalsContact CZ-N 3.32Å; S3309-I3578 WeakPolarHBondContact OG-CB 3.39Å
3310	C	33.3	Very low	32.8	Very low	112 Å²	112	139.2 Å²	139.2	76%	0.757	76%	0.76	S	S	*	*			trans	-159.6	138.9	159.2	-79.5	0	0	0	0	117.6	Y2736	Y2736-C3310 PolarHBondContact OH-N 2.89Å; Y2736-C3310 VanDerWaalsContact OH-N 3.14Å
3311	Q	28.6	Very low	32.6	Very low	160.667 Å²	160.667	141.7 Å²	141.7	75%	0.751	76%	0.762	S	S	*	*			trans	-85.4	-164.7	-175.8	-89.3	-74.6	-46.5	0	0	115.3
3312	P	37.4	Very low	32.7	Very low	107 Å²	107	143.4 Å²	143.4	70%	0.695	76%	0.756	S	S	*	*				-131.9	164.3	-115.7	41.2	-28.1	0	0	0	119.4
3313	Y	28.6	Very low	32.9	Very low	218 Å²	218	148.3 Å²	148.3	86%	0.855	76%	0.76	S	S	*	*			trans	-56.2	141.2	162	-89.1	-91.6	0	0	0	119.1
3314	R	29.3	Very low	33	Very low	236.667 Å²	236.667	148 Å²	148	89%	0.893	76%	0.758	S	S	*	*			trans	-108.4	125.7	155.7	-80.3	-157.9	173.2	-162.2	-3.4	116.4
3315	S	30.1	Very low	32.9	Very low	109.333 Å²	109.333	147.8 Å²	147.8	77%	0.765	76%	0.762	S	S	*	*			trans	-84.6	146.4	152.6	56.1	0	0	0	0	115.6
3316	A	32	Very low	32.7	Very low	97.6667 Å²	97.6667	143 Å²	143	81%	0.807	76%	0.758	S	S	*	*			trans	-149.3	120.8	168.8	0	0	0	0	0	108.2
3317	F	31.3	Very low	32.7	Very low	184.667 Å²	184.667	144.7 Å²	144.7	81%	0.81	77%	0.766	S	S	*	*			trans	-68.6	129.1	157.9	-83.2	-95.8	0	0	0	113.8
3318	Y	29.2	Very low	32.7	Very low	223.667 Å²	223.667	142.7 Å²	142.7	88%	0.877	76%	0.763	S	S	*	*			trans	-162.3	141.8	139.2	-90.2	-71.1	0	0	0	114.7
3319	I	37.1	Very low	32.9	Very low	149 Å²	149	144 Å²	144	76%	0.764	77%	0.773	S	S	*	*			trans	108.7	125.7	161.7	-64.7	164.9	0	0	0	113.6
3320	L	32.6	Very low	33.2	Very low	144.333 Å²	144.333	146.1 Å²	146.1	76%	0.756	78%	0.779	S	S	*	*			trans	91	123	137.1	-128.2	136.7	0	0	0	114.8	Q3322	L3320-Q3322 HydrophobicContact CD2-CG 3.74Å
3321	E	33.9	Very low	33.5	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	78%	0.778	S	S	*	*			trans	-135.2	131.5	162.9	-151.1	171.6	-146.5	0	0	111.7
3322	Q	34.5	Very low	33.9	Very low	158 Å²	158	146.4 Å²	146.4	74%	0.738	78%	0.775	S	S	*	*			trans	-133.7	153	170.7	-63.9	-158.1	105.8	0	0	111.9	L3320	L3320-Q3322 HydrophobicContact CD2-CG 3.74Å
3323	Q	35.7	Very low	34.2	Very low	172.667 Å²	172.667	149.8 Å²	149.8	81%	0.807	78%	0.782	S	S	*	*			trans	-129.1	137.1	157.5	-75.9	175.9	-17.9	0	0	114.1
3324	C	31.5	Very low	35.2	Very low	112.667 Å²	112.667	147.2 Å²	147.2	76%	0.761	78%	0.781	S	S	*	*			trans	-115.2	157.8	154.1	-70.5	0	0	0	0	112.5
3325	V	31.9	Very low	35.7	Very low	144.333 Å²	144.333	143.3 Å²	143.3	88%	0.875	77%	0.773	S	S	*	*				-164	140.8	63	-177.9	0	0	0	0	108.9
3326	G	32.8	Very low	36.3	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	77%	0.767	S	S	*	*			trans	-84.7	164.3	-175.3	0	0	0	0	0	114.4
3327	L	33.5	Very low	36.5	Very low	176.333 Å²	176.333	149.6 Å²	149.6	92%	0.923	77%	0.765	S	S	*	*			trans	-162.4	144.2	148.4	-76.6	174	0	0	0	110.8
3328	A	36.3	Very low	36.8	Very low	79 Å²	79	148 Å²	148	65%	0.653	76%	0.76	S	S	*	*			trans	-83.2	144.3	-172.7	0	0	0	0	0	111.3
3329	V	38.2	Very low	37.1	Very low	129 Å²	129	145.9 Å²	145.9	78%	0.782	76%	0.758	S	S	*	*			trans	-163.4	133.4	143.2	-174.1	0	0	0	0	109.4
3330	D	39.6	Very low	37.3	Very low	117.667 Å²	117.667	144 Å²	144	63%	0.629	75%	0.753	S	S	*	*			trans	-69.4	138	174.4	-55.5	-52.3	0	0	0	111.4	Y3053 S3054	Y3053-D3330 PolarHBondContact N-OD2 3.26Å; S3054-D3330 WeakPolarHBondContact CA-OD1 3.12Å; S3054-D3330 WeakPolarHBondContact CB-OD1 3.1Å; S3054-D3330 PolarHBondContact N-OD1 3.29Å
3331	M	40.2	Very low	37.5	Very low	149 Å²	149	145.4 Å²	145.4	73%	0.734	76%	0.755	S	S	*	*			trans	-151.5	123.9	159.2	-122.7	-155.2	40.4	0	0	110	P3056	P3056-M3331 HydrophobicContact CG-CE 4.14Å
3332	D	36.5	Very low	37.7	Very low	129 Å²	129	145.8 Å²	145.8	69%	0.69	76%	0.757	S	S	*	*			trans	-116.8	140.8	141.2	-60.7	-71	0	0	0	111.6
3333	E	43.6	Very low	37.9	Very low	179.333 Å²	179.333	144.3 Å²	144.3	84%	0.838	75%	0.754	S	S	*	*			trans	78.5	91.3	166.3	-80.8	-173.7	-171.7	0	0	117.8
3334	I	50.5	Low	37.9	Very low	162 Å²	162	142.9 Å²	142.9	83%	0.831	75%	0.748	S	S	*	*				-148	113.4	100.5	-83.2	159.4	0	0	0	111.6
3335	E	38.7	Very low	38.3	Very low	155 Å²	155	144.3 Å²	144.3	72%	0.724	75%	0.748	S	S	*	*			trans	-64.4	128.5	162.1	-60.6	-173.3	139.3	0	0	113.4
3336	K	43.1	Very low	38.6	Very low	147.333 Å²	147.333	142.5 Å²	142.5	64%	0.641	74%	0.739	S	S	*	*			trans	-174.4	128.7	149.7	-106	161	-171.6	164	0	111.8
3337	Y	36.5	Very low	38.8	Very low	193 Å²	193	143.8 Å²	143.8	76%	0.757	74%	0.738	S	S	*	*			trans	57.5	127.2	130.8	-55.5	-53.2	0	0	0	115.7
3338	Q	37.9	Very low	38.7	Very low	151.333 Å²	151.333	140 Å²	140	71%	0.707	73%	0.725	S	S	*	*			cis	158.1	129.7	38.6	-156	176.4	-34.4	0	0	110	V3340	Q3338-V3340 HydrophobicContact CG-CG2 3.94Å; Q3338-V3340 PolarHBondContact O-N 2.76Å; Q3338-V3340 VanDerWaalsContact O-N 3.14Å
3339	E	35.3	Very low	38.7	Very low	179.667 Å²	179.667	141.3 Å²	141.3	84%	0.84	73%	0.727	S	S	*	*			trans	-97.3	132.5	157.7	-82.6	169.2	158.8	0	0	108.9
3340	V	40.6	Very low	38.5	Very low	109 Å²	109	145.8 Å²	145.8	66%	0.661	73%	0.73	S	S	*	*			trans	-132.7	137.8	166.9	176.7	0	0	0	0	111.3	Q3338 E3342	Q3338-V3340 HydrophobicContact CG-CG2 3.94Å; Q3338-V3340 PolarHBondContact O-N 2.76Å; Q3338-V3340 VanDerWaalsContact O-N 3.14Å; V3340-E3342 PolarHBondContact O-N 2.77Å
3341	E	37.4	Very low	38.4	Very low	172.333 Å²	172.333	146.5 Å²	146.5	81%	0.805	73%	0.733	S	S	*	*			trans	-65	121.7	137.2	-91.2	158.1	161	0	0	113.6	D3343	E3341-D3343 HydrophobicContact CB-CB 4.5Å; E3341-D3343 PolarHBondContact O-N 3.4Å
3342	E	37.7	Very low	38.1	Very low	179.333 Å²	179.333	143.3 Å²	143.3	84%	0.838	73%	0.725	S	S	*	*			trans	-78.6	109.5	150	-137	171.6	-173.3	0	0	107	V3340 Q3344	V3340-E3342 PolarHBondContact O-N 2.77Å; E3342-Q3344 PolarHBondContact O-N 2.86Å
3343	D	38.2	Very low	38.3	Very low	126.333 Å²	126.333	146.4 Å²	146.4	68%	0.676	73%	0.727	S	S	*	*				-88.7	121.7	117.3	-122.1	-16.8	0	0	0	111.9	E3341 D3345	E3341-D3343 HydrophobicContact CB-CB 4.5Å; E3341-D3343 PolarHBondContact O-N 3.4Å; D3343-D3345 PolarHBondContact O-N 3.31Å
3344	Q	35.9	Very low	38	Very low	144.667 Å²	144.667	142.2 Å²	142.2	68%	0.676	71%	0.707	S	S	*	*			trans	13.3	112.6	148.4	-70.4	178.9	59.7	0	0	114.9	Q2823 E3342 P3346	Q2823-Q3344 VanDerWaalsContact CG-OE1 3.25Å; E3342-Q3344 PolarHBondContact O-N 2.86Å; Q3344-P3346 WeakPolarHBondContact O-CD 3.21Å
3345	D	40	Very low	37.3	Very low	141.333 Å²	141.333	140 Å²	140	76%	0.756	70%	0.696	S	S	*	*				-126.8	139.3	122	-136	-1.4	0	0	0	109.5	Q2823 D3343 S3347	Q2823-D3345 PolarHBondContact NE2-O 2.97Å; D3343-D3345 PolarHBondContact O-N 3.31Å; D3345-S3347 VanDerWaalsContact CG-N 3.33Å; D3345-S3347 PolarHBondContact OD1-N 3.4Å; D3345-S3347 WeakPolarHBondContact OD2-CB 3.26Å; D3345-S3347 PolarHBondContact OD2-N 3.22Å; D3345-S3347 PolarHBondContact OD2-OG 2.62Å
3346	P	39.1	Very low	37.3	Very low	107 Å²	107	139.6 Å²	139.6	70%	0.695	70%	0.699	S	S	*	*			trans	-115.4	143.5	-174.7	27.1	-17.3	0	0	0	113.6	Q3344 C3348	Q3344-P3346 WeakPolarHBondContact O-CD 3.21Å; P3346-C3348 PolarHBondContact O-N 3.16Å
3347	S	36.5	Very low	37	Very low	92.3333 Å²	92.3333	136.2 Å²	136.2	65%	0.646	70%	0.698	S	S	*	*			trans	50.5	85.7	171.1	65.1	0	0	0	0	116.6	D3345	D3345-S3347 VanDerWaalsContact CG-N 3.33Å; D3345-S3347 PolarHBondContact OD1-N 3.4Å; D3345-S3347 WeakPolarHBondContact OD2-CB 3.26Å; D3345-S3347 PolarHBondContact OD2-N 3.22Å; D3345-S3347 PolarHBondContact OD2-OG 2.62Å
3348	C	30.9	Very low	37	Very low	95.3333 Å²	95.3333	134.3 Å²	134.3	64%	0.644	70%	0.696	S	S	*	*			trans	-34.2	151.2	144.6	-68.9	0	0	0	0	112.3	P3346 R3350	P3346-C3348 PolarHBondContact O-N 3.16Å; C3348-R3350 PolarHBondContact O-N 2.83Å
3349	P	35.9	Very low	36.9	Very low	106.333 Å²	106.333	135.2 Å²	135.2	69%	0.69	70%	0.697	S	S	*	*				-124.3	113.3	103.1	31.3	-18.5	0	0	0	113.5	L3351	P3349-L3351 HydrophobicContact CB-CD1 3.55Å; P3349-L3351 HydrophobicContact CB-CG 3.73Å
3350	R	35	Very low	37.1	Very low	224 Å²	224	135.2 Å²	135.2	85%	0.845	70%	0.698	S	S	*	*			trans	25.1	106	142.3	-68.4	-175.1	165.6	163.1	0.3	115.8	S2821 C3348	S2821-R3350 PolarHBondContact OG-N 3.37Å; S2821-R3350 VanDerWaalsContact OG-N 3.14Å; C3348-R3350 PolarHBondContact O-N 2.83Å
3351	L	36.6	Very low	37	Very low	132 Å²	132	135.1 Å²	135.1	69%	0.691	70%	0.699	S	S	*	*				-172.7	128.2	95.9	-85.9	-172.8	0	0	0	112.7	C2822 P3349 R3353 E3354	C2822-L3351 CarbonylContact O-C 3.45Å; C2822-L3351 VanDerWaalsContact O-C 3.3Å; P3349-L3351 HydrophobicContact CB-CD1 3.55Å; P3349-L3351 HydrophobicContact CB-CG 3.73Å; L3351-R3353 PolarHBondContact O-N 2.94Å; L3351-E3354 WeakPolarHBondContact CA-OE2 3.19Å; L3351-E3354 PolarHBondContact N-OE2 2.63Å
3352	S	34.8	Very low	36.8	Very low	81.6667 Å²	81.6667	135.1 Å²	135.1	57%	0.571	70%	0.699	S	S	*	*				-44.9	140.5	111	59.1	0	0	0	0	113	C2822 E3354	C2822-S3352 WeakPolarHBondContact O-CA 3.46Å; C2822-S3352 PolarHBondContact O-N 3.28Å; C2822-S3352 VanDerWaalsContact O-N 3.1Å; S3352-E3354 WeakPolarHBondContact CA-OE2 3.31Å
3353	R	40.5	Very low	36.6	Very low	195.667 Å²	195.667	132.3 Å²	132.3	74%	0.738	69%	0.694	S	S	*	*			cis	-124.6	149.3	48.9	-122.8	148.8	176.7	-156.7	-13.2	111.8	P2824 Y2825 L3351	P2824-R3353 VanDerWaalsContact CD-O 3.25Å; P2824-R3353 WeakPolarHBondContact CD-O 3.06Å; P2824-R3353 CarbonylContact O-C 3.36Å; P2824-R3353 WeakPolarHBondContact O-CA 3.43Å; P2824-R3353 WeakPolarHBondContact O-CB 3.43Å; P2824-R3353 PolarHBondContact O-N 3.49Å; Y2825-R3353 VanDerWaalsContact O-CB 3.3Å; Y2825-R3353 WeakPolarHBondContact O-CB 3.3Å; L3351-R3353 PolarHBondContact O-N 2.94Å
3354	E	37.3	Very low	36.3	Very low	90.3333 Å²	90.3333	132.9 Å²	132.9	42%	0.422	70%	0.696	S	S	.	*			trans	-67.9	156.6	161.9	-70.9	150.7	156.8	0	0	115.8	P2643 P2824 Y2825 L3351 S3352	P2643-E3354 HydrophobicContact CB-CB 4.2Å; P2643-E3354 HydrophobicContact CB-CG 3.88Å; P2643-E3354 HydrophobicContact CG-CB 3.85Å; P2643-E3354 HydrophobicContact CG-CG 3.56Å; P2824-E3354 VanDerWaalsContact C-N 3.25Å; P2824-E3354 PolarHBondContact O-N 3.44Å; Y2825-E3354 VanDerWaalsContact CB-O 3.25Å; Y2825-E3354 WeakPolarHBondContact CB-O 3.44Å; Y2825-E3354 WeakPolarHBondContact CD2-O 2.97Å; L3351-E3354 WeakPolarHBondContact CA-OE2 3.19Å; L3351-E3354 PolarHBondContact N-OE2 2.63Å; S3352-E3354 WeakPolarHBondContact CA-OE2 3.31Å
3355	L	34.5	Very low	36.3	Very low	115 Å²	115	133.9 Å²	133.9	60%	0.602	70%	0.701	S	S	*	*				-166.4	151	124.9	-58.1	139.8	0	0	0	116.6	P2643 S2644	P2643-L3355 HydrophobicContact CB-CB 4.4Å; P2643-L3355 HydrophobicContact CB-CD1 3.83Å; S2644-L3355 VanDerWaalsContact CB-CD1 3.42Å
3356	L	38.6	Very low	36.1	Very low	148 Å²	148	134.4 Å²	134.4	78%	0.775	70%	0.704	S	S	*	*			trans	165.6	126.4	135.4	-83.4	159.2	0	0	0	109.9	T2642	T2642-L3356 HydrophobicContact CG2-CD2 3.47Å; T2642-L3356 VanDerWaalsContact CG2-CD2 3.47Å; T2642-L3356 HydrophobicContact CG2-CG 4.01Å
3357	A	37	Very low	36	Very low	74.6667 Å²	74.6667	134.3 Å²	134.3	62%	0.617	70%	0.703	S	S	*	*			cis	-158	146.4	29	0	0	0	0	0	112.1
3358	E	36.9	Very low	35.8	Very low	153.333 Å²	153.333	137.4 Å²	137.4	72%	0.717	71%	0.712	S	S	*	*				176.3	155.8	92.6	-72.3	174.2	-173.2	0	0	113.8
3359	K	37	Very low	35.9	Very low	170 Å²	170	139.1 Å²	139.1	74%	0.739	71%	0.714	S	S	*	*			cis	178.9	141.9	42.9	-87.8	169.9	-175.8	152.3	0	115.2
3360	E	38	Very low	35.9	Very low	180.667 Å²	180.667	143 Å²	143	84%	0.844	72%	0.715	S	S	*	*			trans	-92.5	161.5	142.5	-66.4	-178.4	129.2	0	0	107.8
3361	P	39.9	Very low	35.8	Very low	106 Å²	106	136.8 Å²	136.8	69%	0.688	71%	0.705	S	S	*	*				-121	154.9	72.8	38.6	-24.3	0	0	0	113.6
3362	E	33.2	Very low	35.8	Very low	172.333 Å²	172.333	141.1 Å²	141.1	81%	0.805	71%	0.714	S	S	*	*				43.8	143	106.8	-75.5	-175.4	-179.6	0	0	119.9
3363	V	31.9	Very low	35.8	Very low	121 Å²	121	141.5 Å²	141.5	73%	0.733	72%	0.717	S	S	*	*			trans	93.7	122.6	138.2	-164.3	0	0	0	0	117
3364	L	33.4	Very low	35.6	Very low	138.333 Å²	138.333	138.5 Å²	138.5	72%	0.724	72%	0.72	S	S	*	*				147.8	130.4	109.4	-154.7	150.9	0	0	0	114.2
3365	Q	34.7	Very low	35.6	Very low	167.333 Å²	167.333	139.8 Å²	139.8	78%	0.782	74%	0.736	S	S	*	*			trans	104.3	107.4	153.9	-93.7	154.9	39.9	0	0	118.6
3366	D	36.1	Very low	35.4	Very low	150.333 Å²	150.333	139.5 Å²	139.5	80%	0.804	74%	0.744	S	S	*	*				-96.4	166.3	129.7	-85.5	-44	0	0	0	111.3
3367	P	37	Very low	35	Very low	104.667 Å²	104.667	135 Å²	135	68%	0.68	73%	0.733	S	S	*	*				-132.8	160.6	92.3	39.6	-25	0	0	0	117.2
3368	L	33.5	Very low	34.7	Very low	159.333 Å²	159.333	141.7 Å²	141.7	83%	0.834	74%	0.744	S	S	*	*			trans	57.4	90.5	150.6	-63.3	176.2	0	0	0	117.5	R3370	L3368-R3370 VanDerWaalsContact C-N 3.34Å; L3368-R3370 PolarHBondContact O-N 3.13Å
3369	D	33	Very low	34.4	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	75%	0.745	S	S	*	*				-2.5	129.7	126.1	-138.3	11.2	0	0	0	116.7
3370	R	34.3	Very low	34.1	Very low	188.333 Å²	188.333	140.7 Å²	140.7	71%	0.711	75%	0.746	S	S	*	*			trans	-173.6	134.8	170.6	-114.9	174.9	-164.6	161.2	8.9	113.9	L3368	L3368-R3370 VanDerWaalsContact C-N 3.34Å; L3368-R3370 PolarHBondContact O-N 3.13Å
3371	C	32.9	Very low	34.2	Very low	93.6667 Å²	93.6667	139.9 Å²	139.9	63%	0.633	75%	0.746	S	S	*	*				54.5	144.7	116	-68.5	0	0	0	0	116.6
3372	Y	37.5	Very low	34.1	Very low	222 Å²	222	140.1 Å²	140.1	87%	0.871	75%	0.747	S	S	*	*				61.4	118.5	122.3	-71	-80.8	0	0	0	116.9
3373	S	34.1	Very low	34.1	Very low	89.6667 Å²	89.6667	138.6 Å²	138.6	63%	0.627	75%	0.745	S	S	*	*			trans	171	111.7	155	-76.9	0	0	0	0	113
3374	T	36	Very low	34.1	Very low	133.333 Å²	133.333	140.7 Å²	140.7	82%	0.818	75%	0.751	S	S	*	*			trans	32.9	134.7	144.1	43.5	0	0	0	0	116.8
3375	P	39.2	Very low	34.3	Very low	116.667 Å²	116.667	137.7 Å²	137.7	76%	0.758	75%	0.753	S	S	*	*			cis	-125.8	157.7	23.9	35.3	-17.8	0	0	0	115
3376	S	29.9	Very low	34.4	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	75%	0.749	S	S	*	*				75	128.4	117.6	95.4	0	0	0	0	116.1
3377	G	30.2	Very low	34.4	Very low	53.3333 Å²	53.3333	135.1 Å²	135.1	55%	0.55	75%	0.747	S	S	.	*			trans	94.1	129.4	167	0	0	0	0	0	115.2	E2740 K2741	E2740-G3377 WeakPolarHBondContact OE2-CA 3.46Å; K2741-G3377 PolarHBondContact NZ-O 3.32Å
3378	Y	29.7	Very low	34	Very low	216.333 Å²	216.333	139.4 Å²	139.4	85%	0.848	75%	0.751	S	S	*	*			cis	62.6	122.4	40.6	-76.3	-80.7	0	0	0	115.9
3379	L	30.7	Very low	33.8	Very low	140.667 Å²	140.667	136.7 Å²	136.7	74%	0.736	75%	0.746	S	S	*	*				-136.6	131.8	91.1	-166.7	102	0	0	0	110.9
3380	E	31.6	Very low	33.7	Very low	161.333 Å²	161.333	135.7 Å²	135.7	75%	0.754	75%	0.748	S	S	*	*			trans	-59.4	138	152.2	-70.9	171.3	138.1	0	0	115.5
3381	L	39.4	Very low	33.6	Very low	164.333 Å²	164.333	130.8 Å²	130.8	86%	0.86	75%	0.748	S	S	*	*			trans	-101.3	137.1	160.4	-74.5	169.2	0	0	0	109.2	D3383	L3381-D3383 PolarHBondContact O-N 3.2Å; L3381-D3383 VanDerWaalsContact O-N 3.09Å
3382	P	38.1	Very low	33.4	Very low	109.667 Å²	109.667	132 Å²	132	71%	0.712	75%	0.753	S	S	*	*			trans	-95.5	140	156	34.7	-27.1	0	0	0	110.9
3383	D	32.7	Very low	33.2	Very low	141.667 Å²	141.667	131.2 Å²	131.2	76%	0.758	75%	0.749	S	S	*	*				175	151.3	93.1	-133	-6.6	0	0	0	114.3	L3381	L3381-D3383 PolarHBondContact O-N 3.2Å; L3381-D3383 VanDerWaalsContact O-N 3.09Å
3384	L	32.8	Very low	33.1	Very low	165 Å²	165	132.1 Å²	132.1	86%	0.864	76%	0.756	S	S	*	*			trans	62.5	78.1	165	-55.3	173.1	0	0	0	117.1
3385	G	36.1	Very low	33.3	Very low	74.3333 Å²	74.3333	132.8 Å²	132.8	77%	0.766	75%	0.754	S	S	*	*			trans	-139.8	44.2	178.5	0	0	0	0	0	118.7
3386	Q	38.3	Very low	33.2	Very low	145.667 Å²	145.667	136 Å²	136	68%	0.681	76%	0.758	S	S	*	*			trans	-122.1	130.5	168	-81.5	-98.3	-19.6	0	0	109.5	F2745 S2746 Y3388	F2745-Q3386 PolarHBondContact O-NE2 2.74Å; S2746-Q3386 PolarHBondContact O-NE2 2.86Å; Q3386-Y3388 HydrophobicContact CB-CD2 4.09Å; Q3386-Y3388 HydrophobicContact CB-CE2 4.31Å
3387	P	35.5	Very low	33.8	Very low	118 Å²	118	137.8 Å²	137.8	77%	0.766	76%	0.755	S	S	*	*				-130.6	153.4	102.4	37.1	-21.7	0	0	0	113.1
3388	Y	28.9	Very low	34.1	Very low	195.667 Å²	195.667	143.5 Å²	143.5	77%	0.767	77%	0.767	S	S	*	*			trans	25.1	133.1	130.1	-85.7	-90.2	0	0	0	116.5	Q3386	Q3386-Y3388 HydrophobicContact CB-CD2 4.09Å; Q3386-Y3388 HydrophobicContact CB-CE2 4.31Å
3389	S	29.3	Very low	34.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	77%	0.766	S	S	*	*			trans	162	149.6	136.7	163.3	0	0	0	0	110.4
3390	S	31	Very low	34.4	Very low	108.333 Å²	108.333	143.7 Å²	143.7	76%	0.758	77%	0.769	S	S	*	*				26.8	144.4	79	76	0	0	0	0	114
3391	A	30.8	Very low	34.8	Very low	85.6667 Å²	85.6667	139.4 Å²	139.4	71%	0.708	77%	0.768	S	S	*	*			cis	-145.6	146.7	28.8	0	0	0	0	0	108.4
3392	V	29.1	Very low	34.5	Very low	120 Å²	120	139.8 Å²	139.8	73%	0.727	77%	0.77	S	S	*	*				-136	137.1	81.9	-161.6	0	0	0	0	108
3393	Y	33.1	Very low	34.6	Very low	205.333 Å²	205.333	139.2 Å²	139.2	81%	0.805	77%	0.774	S	S	*	*			trans	-166.9	138.2	147.4	-77.8	-74.7	0	0	0	110.9
3394	S	33.4	Very low	34.9	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	78%	0.777	S	S	*	*				23.9	111.4	127.1	-58.7	0	0	0	0	115.2
3395	L	39.1	Very low	35.3	Very low	148.333 Å²	148.333	140 Å²	140	78%	0.777	78%	0.779	S	S	*	*			trans	-130.1	126.5	134.8	-123.3	159.6	0	0	0	112.6	E3397	L3395-E3397 HydrophobicContact CD2-CG 4.21Å; L3395-E3397 PolarHBondContact O-N 3.14Å; L3395-E3397 VanDerWaalsContact O-N 3.11Å
3396	E	36.9	Very low	35.7	Very low	182.333 Å²	182.333	142.2 Å²	142.2	85%	0.852	78%	0.777	S	S	*	*			trans	-76	100.9	166.6	-64.9	170.9	104.5	0	0	109.9	Q3398	E3396-Q3398 VanDerWaalsContact C-N 3.3Å; E3396-Q3398 PolarHBondContact O-N 2.95Å
3397	E	42.4	Very low	35.9	Very low	146.667 Å²	146.667	143.4 Å²	143.4	69%	0.685	79%	0.788	S	S	*	*			trans	-111.8	101.5	158.3	-87.3	-174.5	168.2	0	0	110	L3395 Y3399	L3395-E3397 HydrophobicContact CD2-CG 4.21Å; L3395-E3397 PolarHBondContact O-N 3.14Å; L3395-E3397 VanDerWaalsContact O-N 3.11Å; E3397-Y3399 PolarHBondContact O-N 3.46Å
3398	Q	36.3	Very low	36.2	Very low	172.667 Å²	172.667	145.9 Å²	145.9	81%	0.807	78%	0.782	S	S	*	*			trans	-47.9	125	151.1	-68.8	-168.8	-48.6	0	0	112.2	E3396 L3400	E3396-Q3398 VanDerWaalsContact C-N 3.3Å; E3396-Q3398 PolarHBondContact O-N 2.95Å; Q3398-L3400 PolarHBondContact O-N 2.97Å
3399	Y	35	Very low	37.1	Very low	208.333 Å²	208.333	142.7 Å²	142.7	82%	0.817	78%	0.777	S	S	*	*			trans	-57.7	122.7	158.1	-90.2	-87.9	0	0	0	112.9	E3397 G3401	E3397-Y3399 PolarHBondContact O-N 3.46Å; Y3399-G3401 PolarHBondContact O-N 2.7Å
3400	L	33.3	Very low	37.6	Very low	153.667 Å²	153.667	146.6 Å²	146.6	81%	0.805	78%	0.781	S	S	*	*			trans	-111.5	102.4	159.2	-164.1	95	0	0	0	110.3	Q3142 Q3398	Q3142-L3400 PolarHBondContact NE2-O 2.96Å; Q3398-L3400 PolarHBondContact O-N 2.97Å
3401	G	39.5	Very low	38.1	Very low	71.5 Å²	71.5	145.7 Å²	145.7	74%	0.737	76%	0.764	S	S	*	*			trans	-103.8	119.7	178	0	0	0	0	0	112.3	Y3399 A3403	Y3399-G3401 PolarHBondContact O-N 2.7Å; G3401-A3403 PolarHBondContact O-N 2.88Å
3402	L	33.1	Very low	38.4	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	76%	0.759	S	S	*	*			trans	-85	121.7	177.7	-72.9	167.9	0	0	0	111.8
3403	A	40	Very low	38.8	Very low	98 Å²	98	146.5 Å²	146.5	81%	0.81	75%	0.748	S	S	*	*			trans	-146.4	130.7	149.6	0	0	0	0	0	109.5	G3401	G3401-A3403 PolarHBondContact O-N 2.88Å
3404	L	38	Very low	39	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	74%	0.742	S	S	*	*			trans	-97.1	132.4	166.3	-67.7	170.5	0	0	0	108.1
3405	D	41.7	Very low	39.2	Very low	166 Å²	166	146.4 Å²	146.4	89%	0.888	74%	0.743	S	S	*	*			trans	-142.3	148.1	133	-105.3	-34.4	0	0	0	110.1
3406	V	45.2	Very low	39.3	Very low	121.5 Å²	121.5	148.1 Å²	148.1	74%	0.736	75%	0.747	S	S	*	*			trans	-128.5	102.5	-171.7	178.4	0	0	0	0	110	R3408	V3406-R3408 HydrophobicContact CG1-CB 4.45Å
3407	D	42.4	Very low	39.2	Very low	170.5 Å²	170.5	148.3 Å²	148.3	91%	0.912	75%	0.748	S	S	*	*			trans	-117.5	81.7	165.6	-122.8	-26.3	0	0	0	111.6
3408	R	42.3	Very low	39.1	Very low	170.5 Å²	170.5	148.5 Å²	148.5	64%	0.643	75%	0.754	S	S	*	*			trans	-30.7	116.1	161.4	-137	-170.6	-178.9	172.8	4.3	113.3	E3191 V3406 K3410	E3191-R3408 PolarHBondContact O-NH2 3.42Å; V3406-R3408 HydrophobicContact CG1-CB 4.45Å; R3408-K3410 PolarHBondContact O-N 3.26Å
3409	I	46.3	Very low	39.1	Very low	128.5 Å²	128.5	148.8 Å²	148.8	66%	0.659	76%	0.755	S	S	*	*			trans	-120.6	120.6	147.8	-70.6	164.6	0	0	0	112.5	K3411	I3409-K3411 HydrophobicContact CG2-CB 4.11Å
3410	K	40.9	Very low	39.1	Very low	185 Å²	185	142.2 Å²	142.2	80%	0.804	75%	0.751	S	S	*	*			trans	-18.3	142.5	139.7	-89	-178.4	-176.2	168.6	0	114.7	R3408	R3408-K3410 PolarHBondContact O-N 3.26Å
3411	K	40.5	Very low	39.6	Very low	89.5 Å²	89.5	140.6 Å²	140.6	39%	0.389	75%	0.75	S	S	.	*				-168.9	147.4	-76.9	-149.4	-133.8	173.9	-129.1	0	114	R3164 I3165 I3409 Q3413	R3164-K3411 HydrophobicContact CB-CD 3.73Å; R3164-K3411 HydrophobicContact CB-CG 4.12Å; R3164-K3411 HydrophobicContact CG-CD 3.95Å; I3165-K3411 WeakPolarHBondContact O-CE 3.21Å; I3165-K3411 WeakPolarHBondContact O-CG 3.39Å; I3409-K3411 HydrophobicContact CG2-CB 4.11Å; K3411-Q3413 VanDerWaalsContact NZ-CD 3.3Å
3412	D	38.6	Very low	39.5	Very low	116.5 Å²	116.5	142.7 Å²	142.7	62%	0.623	75%	0.75	S	S	*	*			trans	137.3	133.4	144.4	-72.5	-32.9	0	0	0	114.3	R3164	R3164-D3412 IonicContact CZ-OD1 3.76Å; R3164-D3412 IonicContact NH1-OD1 3.65Å; R3164-D3412 PolarHBondContact NH1-OD1 3.4Å
3413	Q	36.5	Very low	39.5	Very low	105 Å²	105	140.1 Å²	140.1	49%	0.491	75%	0.746	S	S	.	*				69.3	136.7	121.9	-63.8	-179	-168.6	0	0	113.9	K3166 E3227 K3411	K3166-Q3413 HydrophobicContact CD-CG 4.21Å; E3227-Q3413 PolarHBondContact OE1-NE2 2.89Å; E3227-Q3413 PolarHBondContact OE1-OE1 3.49Å; K3411-Q3413 VanDerWaalsContact NZ-CD 3.3Å
3414	E	37.9	Very low	39.5	Very low	144.5 Å²	144.5	140.8 Å²	140.8	68%	0.675	74%	0.742	S	S	*	*			cis	-137.5	151	28.5	-117.7	166.4	171.6	0	0	111.8	K3166 L3226	K3166-E3414 PolarHBondContact NZ-O 3.16Å; K3166-E3414 VanDerWaalsContact NZ-O 3.14Å; L3226-E3414 WeakPolarHBondContact CD1-OE2 3.19Å; L3226-E3414 HydrophobicContact CD2-CG 4.38Å; L3226-E3414 WeakPolarHBondContact CD2-OE1 3.34Å; L3226-E3414 WeakPolarHBondContact CG-OE1 3.45Å; L3226-E3414 WeakPolarHBondContact CG-OE2 3.25Å
3415	E	38.1	Very low	39.1	Very low	166.5 Å²	166.5	144.3 Å²	144.3	78%	0.778	74%	0.744	S	S	*	*			trans	-6.5	135.5	131.2	-61.9	177.4	140.7	0	0	111.7	E3417	E3415-E3417 PolarHBondContact O-N 3.31Å
3416	E	39.9	Very low	38.7	Very low	185.5 Å²	185.5	144.7 Å²	144.7	87%	0.867	75%	0.745	S	S	*	*				-118.1	142.2	82.4	-155	178	-168.4	0	0	111.2	D3418	E3416-D3418 PolarHBondContact O-N 3.15Å
3417	E	36	Very low	38.3	Very low	185.5 Å²	185.5	143.7 Å²	143.7	87%	0.867	74%	0.743	S	S	*	*			trans	-75.9	126.9	173.7	-64.6	-173.3	131.9	0	0	113.2	E3415	E3415-E3417 PolarHBondContact O-N 3.31Å
3418	D	39.1	Very low	38.4	Very low	150.5 Å²	150.5	146.1 Å²	146.1	81%	0.805	74%	0.74	S	S	*	*			trans	-161	157.8	132.8	-161.3	8.4	0	0	0	112.2	E3416	E3416-D3418 PolarHBondContact O-N 3.15Å
3419	Q	36.6	Very low	38.1	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	75%	0.747	S	S	*	*			trans	160	77.8	171.2	-64.8	-166.3	28.9	0	0	114.4	P3421	Q3419-P3421 VanDerWaalsContact O-CD 3.22Å; Q3419-P3421 WeakPolarHBondContact O-CD 3.11Å
3420	G	34.8	Very low	37.7	Very low	71.5 Å²	71.5	147 Å²	147	74%	0.737	75%	0.752	S	S	*	*			trans	-95.3	102	166.3	0	0	0	0	0	114.2
3421	P	43.3	Very low	37.4	Very low	119 Å²	119	144.9 Å²	144.9	77%	0.773	75%	0.749	S	S	*	*			trans	-76.9	161	166.8	31.4	-33.3	0	0	0	111.9	Q3419	Q3419-P3421 VanDerWaalsContact O-CD 3.22Å; Q3419-P3421 WeakPolarHBondContact O-CD 3.11Å
3422	P	38.6	Very low	37.3	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	77%	0.768	S	S	*	*				-122.7	177.8	-71.3	40.3	-28.6	0	0	0	114.9	P3424	P3422-P3424 WeakPolarHBondContact O-CD 3.03Å
3423	C	33.6	Very low	37.3	Very low	118 Å²	118	148.6 Å²	148.6	80%	0.797	77%	0.772	S	S	*	*			trans	-79.9	142.6	159.8	-46.6	0	0	0	0	111.4	R3425	C3423-R3425 PolarHBondContact O-N 2.91Å
3424	P	38.4	Very low	37.4	Very low	111.5 Å²	111.5	149.6 Å²	149.6	72%	0.724	79%	0.785	S	S	*	*				-104.4	115.4	66.6	32.2	-21.3	0	0	0	109.8	P3422	P3422-P3424 WeakPolarHBondContact O-CD 3.03Å
3425	R	30.4	Very low	37.1	Very low	231.5 Å²	231.5	150.8 Å²	150.8	87%	0.874	79%	0.79	S	S	*	*				143.8	139.5	123.4	-78.6	-166	159.5	126.7	2.4	115.6	C3423 S3427	C3423-R3425 PolarHBondContact O-N 2.91Å; R3425-S3427 PolarHBondContact O-N 3.2Å
3426	L	34.2	Very low	36.8	Very low	174 Å²	174	148 Å²	148	91%	0.911	79%	0.787	S	S	*	*			trans	2.8	123.5	171.3	-49.8	174	0	0	0	111.5
3427	S	36.6	Very low	36.5	Very low	99.5 Å²	99.5	147.5 Å²	147.5	70%	0.696	78%	0.784	S	S	*	*				-162.7	121.1	-102.4	56.2	0	0	0	0	112.4	R3425	R3425-S3427 PolarHBondContact O-N 3.2Å
3428	R	43.8	Very low	36.8	Very low	221.5 Å²	221.5	143.8 Å²	143.8	84%	0.836	77%	0.774	S	S	*	*			trans	127.5	123.6	162.9	-90.5	175.4	171.3	156	-1	110.7
3429	E	36.7	Very low	36.4	Very low	171.5 Å²	171.5	143.8 Å²	143.8	80%	0.801	77%	0.773	S	S	*	*				57.9	100	53	-51.9	-178.2	149.1	0	0	111.6
3430	L	36.4	Very low	36.6	Very low	147 Å²	147	143.2 Å²	143.2	77%	0.77	77%	0.77	S	S	*	*				-156.7	161.6	77.3	-90.1	127.4	0	0	0	111.8
3431	L	35.9	Very low	36.5	Very low	139.5 Å²	139.5	146.5 Å²	146.5	73%	0.73	77%	0.772	S	S	*	*			trans	38.8	114.4	155.5	-77.6	58.7	0	0	0	118.7	V3433	L3431-V3433 PolarHBondContact O-N 2.67Å
3432	E	36.7	Very low	36.2	Very low	167 Å²	167	146.1 Å²	146.1	78%	0.78	77%	0.772	S	S	*	*				-97.5	127.6	68.6	-139.9	162.3	177.7	0	0	109.9	V3434	E3432-V3434 PolarHBondContact O-N 2.73Å
3433	V	38.6	Very low	36.1	Very low	117.5 Å²	117.5	148.3 Å²	148.3	71%	0.712	78%	0.776	S	S	*	*				53.6	91	101.2	-177.4	0	0	0	0	115.5	L3431 E3435	L3431-V3433 PolarHBondContact O-N 2.67Å; V3433-E3435 HydrophobicContact CG1-CG 4.3Å
3434	V	39	Very low	36.1	Very low	125.5 Å²	125.5	149.2 Å²	149.2	76%	0.761	77%	0.773	S	S	*	*				148.5	107.2	95.3	179.2	0	0	0	0	107.4	E3432	E3432-V3434 PolarHBondContact O-N 2.73Å
3435	E	33.1	Very low	36.1	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	78%	0.779	S	S	*	*			cis	145.1	156.7	47.1	-101.5	-177.3	158.3	0	0	110.6	V3433	V3433-E3435 HydrophobicContact CG1-CG 4.3Å
3436	P	31.3	Very low	36.1	Very low	108.5 Å²	108.5	147.3 Å²	147.3	71%	0.705	76%	0.762	S	S	*	*			trans	-101.2	143.6	-162.7	36.6	-29.8	0	0	0	113.2	V3438	P3436-V3438 PolarHBondContact O-N 2.8Å
3437	E	34.3	Very low	36	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	75%	0.753	S	S	*	*			trans	-116.2	130.3	149.4	-94.1	-67.3	115.5	0	0	109.3	L3439	E3437-L3439 VanDerWaalsContact C-N 3.31Å; E3437-L3439 PolarHBondContact O-N 3.16Å
3438	V	41.4	Very low	36	Very low	108.5 Å²	108.5	148 Å²	148	66%	0.658	76%	0.756	S	S	*	*			trans	9.4	102	149	-92.6	0	0	0	0	115.5	P3436	P3436-V3438 PolarHBondContact O-N 2.8Å
3439	L	30.5	Very low	35.3	Very low	150 Å²	150	143.5 Å²	143.5	79%	0.785	75%	0.753	S	S	*	*				52.3	113.9	78.3	-72.5	176.3	0	0	0	115.7	E3437	E3437-L3439 VanDerWaalsContact C-N 3.31Å; E3437-L3439 PolarHBondContact O-N 3.16Å
3440	Q	40.2	Very low	34.9	Very low	166 Å²	166	140.7 Å²	140.7	78%	0.776	75%	0.75	S	S	*	*			trans	145.1	119.6	144.1	-91.7	160	20.8	0	0	115.4
3441	D	32.8	Very low	34.6	Very low	142 Å²	142	139 Å²	139	76%	0.759	75%	0.75	S	S	*	*			trans	33.8	116.8	142.7	-49.3	-11.9	0	0	0	118.9
3442	S	36.8	Very low	34.5	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	75%	0.75	S	S	*	*				135.4	86.7	74.8	58.5	0	0	0	0	114.8	D3444	S3442-D3444 PolarHBondContact O-N 2.8Å
3443	L	37.9	Very low	34.3	Very low	160 Å²	160	135.2 Å²	135.2	84%	0.838	75%	0.752	S	S	*	*			trans	-107.8	101.4	151.9	-75.5	175.8	0	0	0	109	R3445	L3443-R3445 PolarHBondContact O-N 2.7Å
3444	D	33	Very low	34.2	Very low	136.5 Å²	136.5	137.3 Å²	137.3	73%	0.73	76%	0.759	S	S	*	*			trans	-129.2	82.7	164.9	-91	-19.1	0	0	0	112.7	S3442 V3475	S3442-D3444 PolarHBondContact O-N 2.8Å; D3444-V3475 WeakPolarHBondContact OD1-CB 3.46Å; D3444-V3475 VanDerWaalsContact OD1-CG1 3.3Å; D3444-V3475 WeakPolarHBondContact OD1-CG1 3.44Å; D3444-V3475 WeakPolarHBondContact OD1-CG2 3.43Å
3445	R	38.7	Very low	33.9	Very low	225 Å²	225	139.3 Å²	139.3	85%	0.849	76%	0.76	S	S	*	*			trans	-175.1	144.8	156.8	-100.6	149.8	-171.7	-143.5	0.7	111.1	L3443 V3475 G3476	L3443-R3445 PolarHBondContact O-N 2.7Å; R3445-V3475 CarbonylContact C-O 3.54Å; R3445-V3475 WeakPolarHBondContact CA-O 3.22Å; R3445-G3476 CarbonylContact C-O 3.56Å; R3445-G3476 WeakPolarHBondContact CA-O 3.45Å; R3445-G3476 WeakPolarHBondContact CG-O 2.89Å
3446	C	30.1	Very low	34	Very low	78.5 Å²	78.5	139 Å²	139	53%	0.53	76%	0.758	S	S	.	*				-159.7	176.5	96.5	-93.3	0	0	0	0	110.8	H3474 V3475 G3476 F3477	C3446-H3474 VanDerWaalsContact SG-C 3.57Å; C3446-H3474 PolarHBondContact SG-O 3.16Å; C3446-V3475 VanDerWaalsContact CB-C 3.46Å; C3446-V3475 WeakPolarHBondContact CB-O 3.41Å; C3446-V3475 PolarHBondContact N-O 3.01Å; C3446-G3476 CarbonylContact C-O 3.04Å; C3446-G3476 PolarHBondContact N-O 3.2Å; C3446-G3476 CarbonylContact O-C 3.25Å; C3446-G3476 VanDerWaalsContact O-C 3.25Å; C3446-G3476 VanDerWaalsContact O-O 3.08Å; C3446-F3477 PolarHBondContact O-N 3.28Å; C3446-F3477 VanDerWaalsContact O-N 3.1Å
3447	Y	32.1	Very low	34.4	Very low	179.5 Å²	179.5	139 Å²	139	70%	0.704	76%	0.759	S	S	*	*			trans	57.9	92.8	164.6	-64.2	-27.5	0	0	0	119.4	F3477	Y3447-F3477 WeakPolarHBondContact CB-O 3.02Å; Y3447-F3477 VanDerWaalsContact CD2-CA 3.46Å
3448	S	36.8	Very low	34.3	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	76%	0.764	S	S	*	*			trans	149.7	102.6	141.7	-71.3	0	0	0	0	117.2
3449	T	28.2	Very low	33.7	Very low	126.5 Å²	126.5	138.6 Å²	138.6	78%	0.776	77%	0.766	S	S	*	*			trans	4.6	121.9	143.9	-45.2	0	0	0	0	116.8
3450	P	28.5	Very low	33.6	Very low	111.5 Å²	111.5	137.4 Å²	137.4	72%	0.724	77%	0.769	S	S	*	*				-112.2	166.8	121.5	38.3	-31.3	0	0	0	113.8
3451	S	30.5	Very low	33	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	76%	0.761	S	S	*	*				136.7	38.7	79.4	67.4	0	0	0	0	118.9
3452	S	35.1	Very low	32.9	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	76%	0.756	S	S	*	*			trans	-156.9	113	167.9	54.2	0	0	0	0	113.3
3453	C	32.4	Very low	32.5	Very low	122 Å²	122	138.5 Å²	138.5	82%	0.824	76%	0.758	S	S	*	*				136.2	124.4	82.6	-1.5	0	0	0	0	110.8
3454	L	35.4	Very low	32.1	Very low	163 Å²	163	133.6 Å²	133.6	85%	0.853	75%	0.747	S	S	*	*			cis	128.3	80.5	2.9	-116.7	175.1	0	0	0	111.8
3455	E	32.7	Very low	32.2	Very low	166.5 Å²	166.5	131.8 Å²	131.8	78%	0.778	74%	0.744	S	S	*	*				-148	177.8	98.1	-146.4	-175.9	177.3	0	0	111.2
3456	Q	35.4	Very low	31.8	Very low	164.5 Å²	164.5	125.7 Å²	125.7	77%	0.769	74%	0.736	S	S	*	*			trans	4.1	167.5	178.6	-57.4	163.2	7.4	0	0	115.7
3457	P	39.3	Very low	31.7	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	74%	0.736	S	S	*	*			cis	-132.1	138.6	-26	34.3	-18.1	0	0	0	115.2	S3459	P3457-S3459 PolarHBondContact O-N 3.44Å; P3457-S3459 VanDerWaalsContact O-N 3.11Å
3458	D	32.9	Very low	31.8	Very low	175 Å²	175	127.3 Å²	127.3	94%	0.936	73%	0.734	S	S	*	*			trans	-73.1	100.4	155.9	-92.9	-51.6	0	0	0	110.1
3459	S	28.3	Very low	31.8	Very low	97.5 Å²	97.5	126.1 Å²	126.1	68%	0.682	73%	0.731	S	S	*	*			trans	-176.1	102	145	69.5	0	0	0	0	113	P3457 Q3461	P3457-S3459 PolarHBondContact O-N 3.44Å; P3457-S3459 VanDerWaalsContact O-N 3.11Å; S3459-Q3461 PolarHBondContact O-N 3.35Å
3460	C	29.4	Very low	32.3	Very low	126 Å²	126	128.1 Å²	128.1	85%	0.851	74%	0.736	S	S	*	*			trans	-92	128.8	-149.2	-70.3	0	0	0	0	109	P3462	C3460-P3462 WeakPolarHBondContact O-CD 3.42Å
3461	Q	26.8	Very low	32.6	Very low	132.5 Å²	132.5	131.4 Å²	131.4	62%	0.619	74%	0.742	S	S	*	*			trans	-177.9	126.3	166.3	-70.2	-113.9	-33.3	0	0	113.9	S3459 Y3463	S3459-Q3461 PolarHBondContact O-N 3.35Å; Q3461-Y3463 PolarHBondContact O-N 2.93Å; Q3461-Y3463 VanDerWaalsContact OE1-CD2 3.26Å
3462	P	31.4	Very low	32.9	Very low	100 Å²	100	132.8 Å²	132.8	65%	0.649	74%	0.736	S	S	*	*			trans	-113.8	70.1	-165.9	36.5	-24.1	0	0	0	111.3	C3460 G3464	C3460-P3462 WeakPolarHBondContact O-CD 3.42Å; P3462-G3464 PolarHBondContact O-N 2.97Å
3463	Y	27.8	Very low	33	Very low	209.5 Å²	209.5	134.7 Å²	134.7	82%	0.822	73%	0.731	S	S	*	*			trans	-98.2	108.9	-179.8	-120.3	-93.5	0	0	0	110.8	Q3461 S3465	Q3461-Y3463 PolarHBondContact O-N 2.93Å; Q3461-Y3463 VanDerWaalsContact OE1-CD2 3.26Å; Y3463-S3465 PolarHBondContact O-N 3.33Å
3464	G	29.6	Very low	33.2	Very low	57.5 Å²	57.5	137.2 Å²	137.2	59%	0.593	73%	0.73	S	S	*	*				-107.1	135.1	-100.7	0	0	0	0	0	109.5	P3462 S3466	P3462-G3464 PolarHBondContact O-N 2.97Å; G3464-S3466 PolarHBondContact O-N 3.13Å
3465	S	34.9	Very low	33.2	Very low	97.5 Å²	97.5	134.2 Å²	134.2	68%	0.682	72%	0.719	S	S	*	*			trans	-135.8	94	149.4	48.3	0	0	0	0	112.8	Y3463	Y3463-S3465 PolarHBondContact O-N 3.33Å
3466	S	29.4	Very low	33.2	Very low	96.5 Å²	96.5	127.8 Å²	127.8	68%	0.675	70%	0.697	S	S	*	*			trans	-143.5	112	163	55.6	0	0	0	0	111.8	G3464	G3464-S3466 PolarHBondContact O-N 3.13Å
3467	F	29.2	Very low	33	Very low	121 Å²	121	128.7 Å²	128.7	53%	0.531	70%	0.699	S	S	.	*				62.5	97.3	106.9	-69.9	-76.5	0	0	0	118.1	V3190	V3190-F3467 HydrophobicContact CG1-CZ 4.17Å; V3190-F3467 HydrophobicContact CG2-CE1 3.82Å; V3190-F3467 HydrophobicContact CG2-CZ 4.15Å
3468	Y	34.8	Very low	32.7	Very low	171.5 Å²	171.5	128.3 Å²	128.3	67%	0.673	70%	0.699	S	S	*	*				130.4	137.2	129.9	-81.4	-82.1	0	0	0	116.6	E3188 V3189	E3188-Y3468 WeakPolarHBondContact OE1-CE1 3.39Å; E3188-Y3468 PolarHBondContact OE1-OH 2.97Å; V3189-Y3468 HydrophobicContact CG1-CE2 4.42Å
3469	A	35.7	Very low	32.8	Very low	84.5 Å²	84.5	127.8 Å²	127.8	70%	0.698	70%	0.695	S	S	*	*			trans	-7.1	126.3	155.8	0	0	0	0	0	116.4
3470	L	38.7	Very low	33.1	Very low	169.5 Å²	169.5	130.2 Å²	130.2	89%	0.887	70%	0.7	S	S	*	*			trans	138.7	134.6	144.1	-71.9	178.3	0	0	0	115.6
3471	E	35.7	Very low	33.6	Very low	179 Å²	179	130.6 Å²	130.6	84%	0.836	70%	0.699	S	S	*	*				-124	153.1	-126.8	-93.2	-126	106	0	0	108.7
3472	E	36.3	Very low	33.9	Very low	144 Å²	144	127.6 Å²	127.6	67%	0.673	70%	0.703	S	S	*	*			trans	148.5	124.8	143.3	-131.5	-176.2	-157.3	0	0	118.4
3473	K	37.6	Very low	34.1	Very low	143 Å²	143	131.5 Å²	131.5	62%	0.622	71%	0.712	S	S	*	*			trans	60	107.7	146.1	-67.6	169.6	-170.1	150.3	0	123.4	V3475	K3473-V3475 PolarHBondContact O-N 2.85Å
3474	H	36.3	Very low	34.7	Very low	173.5 Å²	173.5	128.3 Å²	128.3	80%	0.803	71%	0.708	S	S	*	*			trans	17.8	144.9	133.6	-72.4	-58.6	0	0	0	120.6	C3446	C3446-H3474 VanDerWaalsContact SG-C 3.57Å; C3446-H3474 PolarHBondContact SG-O 3.16Å
3475	V	34.9	Very low	35.1	Very low	100.5 Å²	100.5	133.5 Å²	133.5	61%	0.609	72%	0.717	S	S	*	*			trans	164.9	116	153.9	-172.7	0	0	0	0	116.5	D3444 R3445 C3446 K3473	D3444-V3475 WeakPolarHBondContact OD1-CB 3.46Å; D3444-V3475 VanDerWaalsContact OD1-CG1 3.3Å; D3444-V3475 WeakPolarHBondContact OD1-CG1 3.44Å; D3444-V3475 WeakPolarHBondContact OD1-CG2 3.43Å; R3445-V3475 CarbonylContact C-O 3.54Å; R3445-V3475 WeakPolarHBondContact CA-O 3.22Å; C3446-V3475 VanDerWaalsContact CB-C 3.46Å; C3446-V3475 WeakPolarHBondContact CB-O 3.41Å; C3446-V3475 PolarHBondContact N-O 3.01Å; K3473-V3475 PolarHBondContact O-N 2.85Å
3476	G	32.7	Very low	35.5	Very low	31 Å²	31	136.9 Å²	136.9	32%	0.32	72%	0.72	S	S	.	*			trans	55.6	117.3	147.5	0	0	0	0	0	122.2	R3445 C3446	R3445-G3476 CarbonylContact C-O 3.56Å; R3445-G3476 WeakPolarHBondContact CA-O 3.45Å; R3445-G3476 WeakPolarHBondContact CG-O 2.89Å; C3446-G3476 CarbonylContact C-O 3.04Å; C3446-G3476 PolarHBondContact N-O 3.2Å; C3446-G3476 CarbonylContact O-C 3.25Å; C3446-G3476 VanDerWaalsContact O-C 3.25Å; C3446-G3476 VanDerWaalsContact O-O 3.08Å
3477	F	32.4	Very low	35.9	Very low	184.5 Å²	184.5	142.3 Å²	142.3	81%	0.809	73%	0.731	S	S	*	*				118.2	147.7	82.6	-73.1	-82.3	0	0	0	117.7	C3446 Y3447	C3446-F3477 PolarHBondContact O-N 3.28Å; C3446-F3477 VanDerWaalsContact O-N 3.1Å; Y3447-F3477 WeakPolarHBondContact CB-O 3.02Å; Y3447-F3477 VanDerWaalsContact CD2-CA 3.46Å
3478	S	32.9	Very low	36.2	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	74%	0.742	S	S	*	*			trans	-101.1	161.3	-175.6	2.4	0	0	0	0	116.5
3479	L	35.2	Very low	36.4	Very low	163 Å²	163	142.1 Å²	142.1	85%	0.853	75%	0.754	S	S	*	*			trans	123.8	109	146.5	-81.6	164.1	0	0	0	119.2
3480	D	32.8	Very low	36.5	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	76%	0.759	S	S	*	*			trans	-2.7	148.2	134.4	-111.6	-29.9	0	0	0	117.9
3481	V	41.1	Very low	36.5	Very low	136 Å²	136	143.8 Å²	143.8	82%	0.824	76%	0.761	S	S	*	*				89.8	120.1	117.2	178.7	0	0	0	0	116.2
3482	G	33.7	Very low	36.8	Very low	68.5 Å²	68.5	145.2 Å²	145.2	71%	0.706	76%	0.764	S	S	*	*			trans	136.3	91.5	157	0	0	0	0	0	116.9
3483	E	34.8	Very low	36.9	Very low	181.5 Å²	181.5	150.1 Å²	150.1	85%	0.848	78%	0.776	S	S	*	*			trans	11.8	139.2	166.6	-53.9	-162.1	137.3	0	0	121.6
3484	I	40.8	Very low	37.1	Very low	143.5 Å²	143.5	155 Å²	155	74%	0.736	79%	0.791	S	S	*	*				67.5	107.1	97.4	10.1	167.4	0	0	0	117.5	K3486	I3484-K3486 HydrophobicContact CG2-CD 4.36Å; I3484-K3486 HydrophobicContact CG2-CG 3.97Å
3485	E	37.7	Very low	37.5	Very low	167 Å²	167	150.4 Å²	150.4	78%	0.78	79%	0.79	S	S	*	*				-128.3	153.5	69	-106.2	-152	128.8	0	0	112.4
3486	K	42.5	Very low	37.6	Very low	167.5 Å²	167.5	157.2 Å²	157.2	73%	0.728	81%	0.805	S	S	*	*			trans	-26	114.5	172.2	-71.9	165.7	177.9	155.1	0	115.9	I3484	I3484-K3486 HydrophobicContact CG2-CD 4.36Å; I3484-K3486 HydrophobicContact CG2-CG 3.97Å
3487	K	38.4	Very low	38.1	Very low	211 Å²	211	167.6 Å²	167.6	92%	0.917	83%	0.834	S	S	*	*				8.9	114.3	124.5	-63	172.6	-179.3	172.1	0	114
3488	G	35.4	Very low	38.5	Very low	73.5 Å²	73.5	163.9 Å²	163.9	76%	0.758	83%	0.832	S	S	*	*			trans	-162.2	64.8	178.7	0	0	0	0	0	119.5
3489	K	38.5	Very low	38.7	Very low	215 Å²	215	168.8 Å²	168.8	94%	0.935	84%	0.84	S	S	*	*			trans	50.8	88.3	154.6	-62.4	-177.6	178.5	176.7	0	120.4
3490	G	38.4	Very low	38.8	Very low	77.5 Å²	77.5	169.7 Å²	169.7	80%	0.799	84%	0.837	S	S	*	*			trans	9	116	136.6	0	0	0	0	0	116.7	K3492	G3490-K3492 PolarHBondContact O-N 3.36Å
3491	K	39.3	Very low	39	Very low	211 Å²	211	169.1 Å²	169.1	92%	0.917	83%	0.83	S	S	*	*			trans	-64.7	109.4	174.2	-62.6	171	-179.2	171.1	0	113.5	R3493	K3491-R3493 PolarHBondContact O-N 2.83Å
3492	K	41.2	Very low	38.8	Very low	209.5 Å²	209.5	173.1 Å²	173.1	91%	0.911	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-120.4	120.9	149.6	-90.2	175.4	-179.4	-178.9	0	113.7	G3490 R3494	G3490-K3492 PolarHBondContact O-N 3.36Å; K3492-R3494 PolarHBondContact O-N 3.11Å
3493	R	38.1	Very low	39.1	Very low	245.5 Å²	245.5	180.5 Å²	180.5	93%	0.926	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-23.2	120.4	166.8	-68.3	177.2	169.7	172.1	-3.9	116.1	K3491	K3491-R3493 PolarHBondContact O-N 2.83Å
3494	R	41.9	Very low	39.2	Very low	247 Å²	247	183.5 Å²	183.5	93%	0.932	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-20.1	127.4	152.3	-78.2	-176.4	171.3	177	-2.2	115.1	K3492	K3492-R3494 PolarHBondContact O-N 3.11Å
3495	G	43.9	Very low	39	Very low	76.5 Å²	76.5	180.4 Å²	180.4	79%	0.789	84%	0.844	S	S	*	*			trans	-89.4	153.3	171	0	0	0	0	0	113.8
3496	R	38.5	Very low	39	Very low	243 Å²	243	184.1 Å²	184.1	92%	0.917	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-87.6	129.8	169.4	-70.5	177.4	174	177.6	-2.1	109.7
3497	R	43.4	Very low	38.8	Very low	249 Å²	249	183.5 Å²	183.5	94%	0.94	85%	0.848	S	S	*	*			trans	-160.1	139	153.4	-86.2	169.4	-177.8	-165.4	1.1	108.2
3498	S	39	Very low	38.7	Very low	108 Å²	108	181 Å²	181	76%	0.755	84%	0.839	S	S	*	*				-159.5	142.6	-84.5	51.1	0	0	0	0	112.6
3499	K	37.7	Very low	38.8	Very low	203.5 Å²	203.5	180.6 Å²	180.6	89%	0.885	84%	0.836	S	S	*	*			trans	8.5	141.7	170.8	-54.2	172.5	179.2	177.5	0	114.8
3500	K	38.4	Very low	38.8	Very low	182 Å²	182	179.1 Å²	179.1	79%	0.791	83%	0.832	S	S	*	*			trans	136.1	131.3	148	-84.8	-166.8	170.5	-148.5	0	113.4
3501	E	36	Very low	38.6	Very low	134.5 Å²	134.5	183.9 Å²	183.9	63%	0.629	83%	0.833	S	S	*	*			cis	139.1	133.4	27.7	-159.9	178.6	162.2	0	0	112.3
3502	R	37.7	Very low	38.5	Very low	221.5 Å²	221.5	180.4 Å²	180.4	84%	0.836	83%	0.825	S	S	*	*			trans	-97.4	131.2	167.3	-73.7	166.8	71.4	164.6	2.6	112.4
3503	R	40	Very low	38.6	Very low	223.5 Å²	223.5	178.2 Å²	178.2	84%	0.843	82%	0.818	S	S	*	*			trans	-121.7	149.7	152.2	-78.8	155.8	-179.7	-160.5	-3	108.8
3504	R	35.4	Very low	38.5	Very low	245 Å²	245	173.7 Å²	173.7	93%	0.925	81%	0.812	S	S	*	*				70.5	120.1	111.5	-71.8	-177.1	170.8	175.6	-3.7	115.2
3505	G	36.9	Very low	38.7	Very low	78 Å²	78	167.8 Å²	167.8	80%	0.804	81%	0.805	S	S	*	*			trans	173.9	94.7	164.9	0	0	0	0	0	113.6
3506	R	39.3	Very low	38.2	Very low	244 Å²	244	169.6 Å²	169.6	92%	0.921	80%	0.804	S	S	*	*			trans	143.6	128.9	169.5	-112.7	-177.4	-175.7	-178.8	0.2	111.3
3507	K	36.6	Very low	37.9	Very low	154.5 Å²	154.5	163.9 Å²	163.9	67%	0.672	80%	0.8	S	S	*	*				142.3	114.1	118	-79.3	-161.8	164.3	-71.2	0	108.4
3508	E	36.9	Very low	37.6	Very low	159.5 Å²	159.5	157.7 Å²	157.7	75%	0.745	79%	0.792	S	S	*	*				72	99.7	85.8	-67.4	160.3	-150.2	0	0	111.1
3509	G	37.1	Very low	37.3	Very low	65.5 Å²	65.5	164 Å²	164	68%	0.675	80%	0.799	S	S	*	*			trans	-154.9	135.7	156.8	0	0	0	0	0	109.4
3510	E	39.6	Very low	36.9	Very low	183.5 Å²	183.5	162.2 Å²	162.2	86%	0.857	80%	0.798	S	S	*	*				61.4	140.4	113.9	-67	175.6	143	0	0	115.6
3511	E	34.3	Very low	36.9	Very low	176.5 Å²	176.5	159 Å²	159	83%	0.825	80%	0.799	S	S	*	*			cis	-169.4	156.6	-41.6	-118.1	177.7	164.9	0	0	110.6
3512	D	37	Very low	36.9	Very low	139 Å²	139	161.9 Å²	161.9	74%	0.743	80%	0.804	S	S	*	*			trans	72.5	167	150	-149.6	13.1	0	0	0	121.4
3513	Q	42.2	Very low	36.8	Very low	162.5 Å²	162.5	157.9 Å²	157.9	76%	0.759	80%	0.795	S	S	*	*			trans	68.7	64.8	171.7	-53.4	-105.4	-7.1	0	0	117.8
3514	N	37.4	Very low	36.8	Very low	152 Å²	152	154.5 Å²	154.5	81%	0.813	79%	0.792	S	S	*	*			trans	-103.8	124.6	149.3	-86.7	-90.2	0	0	0	110.1
3515	P	45.4	Very low	36.8	Very low	121.5 Å²	121.5	150.5 Å²	150.5	79%	0.789	79%	0.789	S	S	*	*			trans	-70.8	132.6	166.7	29.3	-32.2	0	0	0	110.2
3516	P	33.1	Very low	37	Very low	115.5 Å²	115.5	154.2 Å²	154.2	75%	0.75	79%	0.79	S	S	*	*			trans	-94.9	160.6	-171	36.6	-36.5	0	0	0	114.2
3517	C	33.1	Very low	36.7	Very low	123.5 Å²	123.5	150.6 Å²	150.6	83%	0.834	78%	0.783	S	S	*	*			trans	152.2	146.8	156.6	-73.4	0	0	0	0	113.7
3518	P	35.4	Very low	36.9	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	79%	0.788	S	S	*	*				-117.4	137.7	-87.8	15.2	3.4	0	0	0	114.8
3519	R	33.4	Very low	36.6	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	79%	0.788	S	S	*	*			trans	-22	144.3	147.2	-98.5	-176.9	173.6	157.1	0.3	114.2	S3521	R3519-S3521 PolarHBondContact O-N 3.25Å
3520	L	30.6	Very low	36.5	Very low	165 Å²	165	150.2 Å²	150.2	86%	0.864	79%	0.794	S	S	*	*			trans	15.5	132.6	171.7	-49.2	173.3	0	0	0	111.2
3521	S	36.4	Very low	36.3	Very low	115.5 Å²	115.5	150.5 Å²	150.5	81%	0.808	80%	0.795	S	S	*	*				-137.3	131.3	76.6	34.3	0	0	0	0	107.6	R3519	R3519-S3521 PolarHBondContact O-N 3.25Å
3522	R	37.2	Very low	36.6	Very low	195.5 Å²	195.5	147.8 Å²	147.8	74%	0.738	79%	0.79	S	S	*	*			cis	124	131.3	26.2	177.3	-163.6	161.3	127	10.8	109.3
3523	E	36.3	Very low	36.3	Very low	137.5 Å²	137.5	148.3 Å²	148.3	64%	0.643	79%	0.792	S	S	*	*			trans	69.4	148	169.1	-55.1	176.7	178.1	0	0	116
3524	L	38.9	Very low	36.2	Very low	151 Å²	151	148.8 Å²	148.8	79%	0.791	80%	0.795	S	S	*	*				147.9	123.5	93.9	-59.6	178.2	0	0	0	113.3
3525	L	36.3	Very low	36.1	Very low	162.5 Å²	162.5	148.3 Å²	148.3	85%	0.851	79%	0.792	S	S	*	*				44.6	112.7	103.1	-60.3	169	0	0	0	117
3526	D	40.7	Very low	35.5	Very low	154.5 Å²	154.5	147.2 Å²	147.2	83%	0.826	79%	0.787	S	S	*	*			trans	-114.2	158.8	141.3	-118.6	-44.4	0	0	0	111.8
3527	E	33.7	Very low	35.5	Very low	168.5 Å²	168.5	149.6 Å²	149.6	79%	0.787	79%	0.793	S	S	*	*			trans	-24	121.1	167.5	-63.4	-176.8	145.4	0	0	116.2
3528	K	40.9	Very low	35.5	Very low	178 Å²	178	150.1 Å²	150.1	77%	0.774	79%	0.787	S	S	*	*			trans	-145	128.4	131.5	-73.4	-60.4	174.2	-136.5	0	109.4
3529	G	30	Very low	35.4	Very low	73 Å²	73	154.9 Å²	154.9	75%	0.753	79%	0.789	S	S	*	*			trans	-160.7	147.5	165.6	0	0	0	0	0	113.3
3530	P	35.1	Very low	35.3	Very low	121 Å²	121	148.3 Å²	148.3	79%	0.786	78%	0.779	S	S	*	*				-107.6	149.7	109.8	37.4	-32.8	0	0	0	114.9	V3532	P3530-V3532 HydrophobicContact CG-CG2 4.43Å
3531	E	35.2	Very low	35.3	Very low	188.5 Å²	188.5	151.2 Å²	151.2	88%	0.881	78%	0.78	S	S	*	*			trans	-99	142.3	156.5	-68	-178.6	159.2	0	0	108
3532	V	40	Very low	34.9	Very low	119.5 Å²	119.5	151.3 Å²	151.3	72%	0.724	78%	0.781	S	S	*	*				-153.5	113.3	-112	155.9	0	0	0	0	105.9	P3530 Q3534	P3530-V3532 HydrophobicContact CG-CG2 4.43Å; V3532-Q3534 PolarHBondContact O-N 3.1Å
3533	L	32	Very low	34.7	Very low	150.5 Å²	150.5	148.4 Å²	148.4	79%	0.788	79%	0.785	S	S	*	*			trans	-0.4	138.1	162.9	-78.6	168.4	0	0	0	116.1
3534	Q	39	Very low	34.4	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	79%	0.787	S	S	*	*			trans	144.3	115.6	158.8	-92.4	167.2	20.8	0	0	113.9	V3532	V3532-Q3534 PolarHBondContact O-N 3.1Å
3535	D	35.6	Very low	33.8	Very low	141.5 Å²	141.5	145.2 Å²	145.2	76%	0.757	79%	0.788	S	S	*	*				-114.5	159.5	77.6	-106.2	-37.2	0	0	0	112
3536	S	32.5	Very low	33.4	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	78%	0.784	S	S	*	*			trans	11.7	127.4	167.2	59.4	0	0	0	0	118.3
3537	L	32.8	Very low	32.7	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	79%	0.785	S	S	*	*				136.5	137.9	110.9	-87.8	170.1	0	0	0	113.5
3538	D	32.7	Very low	32.4	Very low	133.5 Å²	133.5	139.3 Å²	139.3	71%	0.714	79%	0.788	S	S	*	*				-123.7	157.9	118.5	-112.4	-36.6	0	0	0	112.9
3539	R	33.2	Very low	32	Very low	219.5 Å²	219.5	139.2 Å²	139.2	83%	0.828	79%	0.79	S	S	*	*			trans	106.9	120.1	154.6	-80.5	167.1	-171.6	-123.7	-3.8	115.3
3540	C	31.5	Very low	32	Very low	101.5 Å²	101.5	143.9 Å²	143.9	69%	0.686	80%	0.797	S	S	*	*				178.3	136.5	53.3	-113.2	0	0	0	0	112.8
3541	Y	31	Very low	31.9	Very low	227.5 Å²	227.5	144.5 Å²	144.5	89%	0.892	80%	0.799	S	S	*	*			trans	-6.5	131.6	170.6	-69	-74.1	0	0	0	117.1
3542	S	28.5	Very low	31.6	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	80%	0.796	S	S	*	*			trans	-87.1	149.9	166.8	-54	0	0	0	0	112.5
3543	T	32.3	Very low	31	Very low	135.5 Å²	135.5	142.5 Å²	142.5	83%	0.831	80%	0.798	S	S	*	*			trans	-69.3	161.5	160.9	-5.1	0	0	0	0	111.8
3544	P	30.1	Very low	30.9	Very low	106.5 Å²	106.5	140.7 Å²	140.7	69%	0.692	80%	0.798	S	S	*	*				-129.7	155	75.1	36.9	-22.7	0	0	0	115.6
3545	S	26.8	Very low	30.5	Very low	115.5 Å²	115.5	140.7 Å²	140.7	81%	0.808	80%	0.797	S	S	*	*			trans	53.7	120	145.5	59.6	0	0	0	0	121.7
3546	G	27.9	Very low	30.3	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	80%	0.795	S	S	*	*			trans	162.7	118.4	157.7	0	0	0	0	0	110.5
3547	C	25.9	Very low	30	Very low	124 Å²	124	145.3 Å²	145.3	84%	0.838	81%	0.805	S	S	*	*				-113.7	-178.5	-86.3	-67.8	0	0	0	0	112
3548	L	26.9	Very low	29.8	Very low	161.5 Å²	161.5	148.6 Å²	148.6	85%	0.846	81%	0.806	S	S	*	*			trans	48.4	127.7	175.5	-64.3	162.6	0	0	0	115
3549	E	33.4	Very low	29.6	Very low	177 Å²	177	146.5 Å²	146.5	83%	0.827	80%	0.802	S	S	*	*				-152.7	148.9	62.9	-110.7	163.9	-157.3	0	0	109.6
3550	L	29.7	Very low	29.5	Very low	171 Å²	171	140.8 Å²	140.8	90%	0.895	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-101	122.7	174.4	-71.8	171.4	0	0	0	109.2
3551	T	33.1	Very low	29.2	Very low	133.5 Å²	133.5	144.5 Å²	144.5	82%	0.819	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-128.7	129.9	167.4	-37	0	0	0	0	110.3	S3553	T3551-S3553 PolarHBondContact O-N 2.97Å
3552	D	28.2	Very low	29.3	Very low	155 Å²	155	144.4 Å²	144.4	83%	0.829	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.8	137	-171.3	-63.8	-76.4	0	0	0	114.6
3553	S	27.9	Very low	29.4	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.804	S	S	*	*			trans	-170.7	92.5	138.4	63.2	0	0	0	0	114.1	T3551	T3551-S3553 PolarHBondContact O-N 2.97Å
3554	C	29.7	Very low	29.3	Very low	114 Å²	114	146.3 Å²	146.3	77%	0.77	80%	0.8	S	S	*	*			trans	148.7	105.8	159.6	-79.9	0	0	0	0	116.3
3555	Q	30.8	Very low	29.5	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	80%	0.802	S	S	*	*				-135.5	153.4	82.8	-86	-66.3	-41.5	0	0	108.3
3556	P	30.7	Very low	29.7	Very low	108.5 Å²	108.5	150.5 Å²	150.5	71%	0.705	80%	0.797	S	S	*	*	P	Polyproline II helix		-103.7	165.3	-126.6	36	-33.9	0	0	0	115.1	R3558	P3556-R3558 PolarHBondContact O-N 3.03Å
3557	Y	27.4	Very low	30.1	Very low	229 Å²	229	155.5 Å²	155.5	90%	0.898	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.7	170.5	-99.8	-101.7	0	0	0	113.1
3558	R	27.9	Very low	30.3	Very low	234 Å²	234	155.3 Å²	155.3	88%	0.883	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-100.8	99.8	155.3	-94	-165	170.5	-159	-3	111.4	P3556 A3560	P3556-R3558 PolarHBondContact O-N 3.03Å; R3558-A3560 PolarHBondContact O-N 2.89Å
3559	S	28.3	Very low	30.8	Very low	91 Å²	91	154.3 Å²	154.3	64%	0.636	80%	0.799	S	S	*	*			trans	32.7	94.5	139.7	63.3	0	0	0	0	117.9
3560	A	31.8	Very low	30.9	Very low	99 Å²	99	149.2 Å²	149.2	82%	0.818	79%	0.794	S	S	*	*			trans	-106.4	124.4	143.5	0	0	0	0	0	107.7	R3558 Y3562	R3558-A3560 PolarHBondContact O-N 2.89Å; A3560-Y3562 PolarHBondContact O-N 2.7Å
3561	F	25.6	Very low	31.2	Very low	178.5 Å²	178.5	148.4 Å²	148.4	78%	0.783	79%	0.79	S	S	*	*			trans	-63.7	135.3	-179.3	-76.7	-105.9	0	0	0	111.7
3562	Y	31.5	Very low	31.5	Very low	225 Å²	225	145.8 Å²	145.8	88%	0.882	78%	0.782	S	S	*	*				-148.7	126.4	127.1	-88.6	-65.3	0	0	0	109.8	A3560 L3564	A3560-Y3562 PolarHBondContact O-N 2.7Å; Y3562-L3564 VanDerWaalsContact C-N 3.35Å; Y3562-L3564 PolarHBondContact O-N 3.17Å; Y3562-L3564 VanDerWaalsContact O-N 3.14Å
3563	I	31.8	Very low	32.1	Very low	151 Å²	151	143.9 Å²	143.9	77%	0.774	78%	0.776	S	S	*	*			trans	-71.1	125.5	175.6	-66	167.4	0	0	0	108.7	E3565	I3563-E3565 HydrophobicContact CG2-CB 3.98Å
3564	L	31	Very low	32.6	Very low	141.5 Å²	141.5	146.1 Å²	146.1	74%	0.741	78%	0.779	S	S	*	*			trans	-97.8	116.1	162.3	-159	153.9	0	0	0	107.1	Y3562 Q3566	Y3562-L3564 VanDerWaalsContact C-N 3.35Å; Y3562-L3564 PolarHBondContact O-N 3.17Å; Y3562-L3564 VanDerWaalsContact O-N 3.14Å; L3564-Q3566 PolarHBondContact O-N 2.65Å
3565	E	33.1	Very low	33.2	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	77%	0.77	S	S	*	*			trans	-114.3	123.6	-179.7	-167.9	177.7	-151.5	0	0	109.4	I3563	I3563-E3565 HydrophobicContact CG2-CB 3.98Å
3566	Q	32.2	Very low	33.7	Very low	154 Å²	154	144.5 Å²	144.5	72%	0.72	77%	0.765	S	S	*	*				-134.3	118.7	-99.4	-89.3	-83.9	85.5	0	0	107.5	L3564	L3564-Q3566 PolarHBondContact O-N 2.65Å
3567	Q	35.4	Very low	34.3	Very low	179.5 Å²	179.5	146.7 Å²	146.7	84%	0.839	77%	0.766	S	S	*	*			trans	-150.8	119.2	147.3	-78.4	-176.7	-18.3	0	0	109.9
3568	C	29.3	Very low	35.3	Very low	119 Å²	119	141.7 Å²	141.7	80%	0.804	75%	0.754	S	S	*	*				1.1	111	127.2	-58.1	0	0	0	0	112.7
3569	V	38.5	Very low	35.9	Very low	141.5 Å²	141.5	138.4 Å²	138.4	86%	0.858	75%	0.749	S	S	*	*			trans	-137.7	130.7	151.4	-174.1	0	0	0	0	105.9
3570	G	35.1	Very low	36.6	Very low	69 Å²	69	141.9 Å²	141.9	71%	0.711	75%	0.752	S	S	*	*				-117.9	137.2	-91.5	0	0	0	0	0	110.5
3571	L	35.6	Very low	37	Very low	155 Å²	155	147.9 Å²	147.9	81%	0.812	76%	0.755	S	S	*	*			trans	-109.9	122.2	172.9	-80.9	170.5	0	0	0	109.2	G3058 V3573	G3058-L3571 CarbonylContact O-C 3.48Å; L3571-V3573 HydrophobicContact CB-CG2 4.46Å; L3571-V3573 HydrophobicContact CD2-CG2 4.23Å
3572	A	39.6	Very low	37.6	Very low	79 Å²	79	146.7 Å²	146.7	65%	0.653	75%	0.752	S	S	*	*			trans	-105.6	110.4	155.6	0	0	0	0	0	106.5	S3057 G3058	S3057-A3572 WeakPolarHBondContact O-CB 3.21Å; G3058-A3572 WeakPolarHBondContact O-CA 3.42Å; G3058-A3572 WeakPolarHBondContact O-CB 3.22Å; G3058-A3572 PolarHBondContact O-N 2.74Å
3573	V	40.2	Very low	37.9	Very low	114.5 Å²	114.5	144.3 Å²	144.3	69%	0.694	75%	0.749	S	S	*	*			trans	-114.3	125.2	169.4	175.8	0	0	0	0	105.7	L3571	L3571-V3573 HydrophobicContact CB-CG2 4.46Å; L3571-V3573 HydrophobicContact CD2-CG2 4.23Å
3574	D	40.5	Very low	38.4	Very low	156.5 Å²	156.5	142.1 Å²	142.1	84%	0.837	74%	0.742	S	S	*	*			trans	-119.3	139.1	172.3	-146.7	-5.2	0	0	0	106.7
3575	M	40.8	Very low	38.7	Very low	117.5 Å²	117.5	144.4 Å²	144.4	58%	0.579	75%	0.749	S	S	*	*			trans	-138.4	89.1	-158	-148.8	172.9	63.8	0	0	115.5	L3060 D3308 E3577	L3060-M3575 HydrophobicContact CD1-CE 4.26Å; L3060-M3575 HydrophobicContact CD1-SD 4.33Å; D3308-M3575 WeakPolarHBondContact CB-O 3.1Å; D3308-M3575 VanDerWaalsContact OD2-C 3.28Å; D3308-M3575 WeakPolarHBondContact OD2-CE 3.32Å; M3575-E3577 PolarHBondContact O-N 2.71Å
3576	D	41.2	Very low	39	Very low	133.5 Å²	133.5	145.9 Å²	145.9	71%	0.714	76%	0.756	S	S	*	*			trans	-121.3	95.5	-161.3	-4.3	53.1	0	0	0	113.1	D3308	D3308-D3576 PolarHBondContact OD2-N 3.32Å
3577	E	43.7	Very low	39.1	Very low	155 Å²	155	145.6 Å²	145.6	72%	0.724	76%	0.76	S	S	*	*				-149.3	91.7	70.4	-90.5	176.1	167.3	0	0	110.8	L3306 D3308 M3575	L3306-E3577 VanDerWaalsContact CA-OE1 3.3Å; L3306-E3577 WeakPolarHBondContact CA-OE1 3.47Å; L3306-E3577 HydrophobicContact CD2-CG 4.43Å; L3306-E3577 PolarHBondContact N-OE1 3.32Å; D3308-E3577 WeakPolarHBondContact OD1-CA 3.48Å; M3575-E3577 PolarHBondContact O-N 2.71Å
3578	I	48.7	Very low	39.3	Very low	124.5 Å²	124.5	145.7 Å²	145.7	64%	0.638	76%	0.76	S	S	*	*			trans	-136.6	80.6	171	-40.3	-179	0	0	0	112.9	T3307 D3308 S3309	T3307-I3578 PolarHBondContact O-N 3.4Å; D3308-I3578 PolarHBondContact OD1-N 2.61Å; D3308-I3578 VanDerWaalsContact OD1-N 3.08Å; S3309-I3578 WeakPolarHBondContact OG-CB 3.39Å
3579	E	41.3	Very low	39.7	Very low	165.5 Å²	165.5	147.6 Å²	147.6	77%	0.773	76%	0.763	S	S	*	*			trans	-109.9	118.6	172.5	-54.7	-167.8	117.6	0	0	113.8
3580	K	41.4	Very low	39.7	Very low	163.5 Å²	163.5	146 Å²	146	71%	0.711	76%	0.755	S	S	*	*			trans	136.6	78.7	154.8	-108.9	173.4	-178	128.4	0	117.7
3581	Y	40.4	Very low	39.6	Very low	225.5 Å²	225.5	147.7 Å²	147.7	88%	0.884	76%	0.756	S	S	*	*			trans	-124.7	85.6	141.4	-80.7	-74.3	0	0	0	110.1	E3583	Y3581-E3583 PolarHBondContact O-N 2.78Å
3582	Q	38	Very low	39.4	Very low	153 Å²	153	146.6 Å²	146.6	72%	0.715	76%	0.76	S	S	*	*			trans	-32.5	120.1	141.6	-162.9	166.3	1	0	0	111.2	V3584	Q3582-V3584 HydrophobicContact CG-CG2 3.93Å; Q3582-V3584 PolarHBondContact O-N 3.45Å
3583	E	37.3	Very low	39.1	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	76%	0.763	S	S	*	*				-117	153.5	94.6	-104.6	167	-176.4	0	0	110.9	Y3581	Y3581-E3583 PolarHBondContact O-N 2.78Å
3584	V	42.3	Very low	38.7	Very low	105 Å²	105	153.7 Å²	153.7	64%	0.636	77%	0.772	S	S	*	*			trans	152.2	105.5	168.8	-167	0	0	0	0	114.1	Q3582	Q3582-V3584 HydrophobicContact CG-CG2 3.93Å; Q3582-V3584 PolarHBondContact O-N 3.45Å
3585	E	38.9	Very low	38.5	Very low	190.5 Å²	190.5	154.1 Å²	154.1	89%	0.89	77%	0.773	S	S	*	*			trans	40.7	116	143.2	-59	178.6	136.6	0	0	119.8
3586	E	38.4	Very low	38.1	Very low	187.5 Å²	187.5	154 Å²	154	88%	0.876	78%	0.783	S	S	*	*			trans	-127.1	148.3	147.2	-167.5	167.6	-148.7	0	0	108.5
3587	D	35.1	Very low	38.1	Very low	149 Å²	149	158.5 Å²	158.5	80%	0.797	79%	0.79	S	S	*	*			trans	2.5	116.5	-166.4	-59.5	-47.4	0	0	0	116.5
3588	Q	39.8	Very low	37.7	Very low	181 Å²	181	159.6 Å²	159.6	85%	0.846	80%	0.796	S	S	*	*				152.1	123.9	108.2	-69.9	-131.5	26.4	0	0	113.5
3589	D	38	Very low	37.3	Very low	159.5 Å²	159.5	160.2 Å²	160.2	85%	0.853	80%	0.799	S	S	*	*			trans	-110.1	138	169.3	-116.9	-35	0	0	0	112.8	S3591	D3589-S3591 PolarHBondContact O-N 2.77Å
3590	P	37.1	Very low	37.1	Very low	108 Å²	108	159.6 Å²	159.6	70%	0.701	80%	0.801	S	S	*	*			trans	-81.9	128.3	-162.7	30.4	-36.2	0	0	0	115.7
3591	S	32.7	Very low	36.9	Very low	104.5 Å²	104.5	156.2 Å²	156.2	73%	0.731	80%	0.803	S	S	*	*			trans	-19.2	132.3	157.4	65.7	0	0	0	0	116.8	D3589	D3589-S3591 PolarHBondContact O-N 2.77Å
3592	C	31.3	Very low	36.9	Very low	131 Å²	131	152.9 Å²	152.9	89%	0.885	80%	0.796	S	S	*	*			trans	-143.6	127.3	153.7	-98.9	0	0	0	0	111.4
3593	P	34.3	Very low	36.8	Very low	110.5 Å²	110.5	154.1 Å²	154.1	72%	0.718	80%	0.799	S	S	*	*			trans	-116.2	157	-149.1	36.8	-27.5	0	0	0	115.6
3594	R	32.4	Very low	36.7	Very low	233.5 Å²	233.5	154.1 Å²	154.1	88%	0.881	80%	0.799	S	S	*	*			trans	125.5	115.6	153.7	-96.9	164.2	180	173.3	0.1	118.4
3595	L	35.2	Very low	36.6	Very low	164 Å²	164	155.1 Å²	155.1	86%	0.859	81%	0.808	S	S	*	*			trans	-38.2	113.6	132	-67.9	-179.8	0	0	0	114.6
3596	S	32	Very low	36.2	Very low	115 Å²	115	154.2 Å²	154.2	80%	0.804	80%	0.803	S	S	*	*			trans	-39.2	138.2	150.3	47.3	0	0	0	0	115.3
3597	R	41.3	Very low	36.1	Very low	228 Å²	228	151.1 Å²	151.1	86%	0.86	80%	0.797	S	S	*	*			trans	-149	114.2	148.7	-169.3	167.9	-173.5	163.5	2.8	111.6
3598	E	34.9	Very low	36	Very low	178.5 Å²	178.5	150.7 Å²	150.7	83%	0.834	79%	0.794	S	S	*	*			trans	-71.1	146.3	169.2	-54.1	157	143.1	0	0	110.1
3599	L	41.7	Very low	36.1	Very low	136.5 Å²	136.5	151 Å²	151	72%	0.715	80%	0.795	S	S	*	*			trans	-168	111.7	145.3	-85.4	178.1	0	0	0	112.2
3600	L	36.5	Very low	36.1	Very low	153.5 Å²	153.5	150 Å²	150	80%	0.804	79%	0.79	S	S	*	*			trans	36.1	104.8	136.6	-51.5	176.5	0	0	0	118.8
3601	A	37.5	Very low	36	Very low	93 Å²	93	149.4 Å²	149.4	77%	0.769	79%	0.786	S	S	*	*				55	86.4	52.7	0	0	0	0	0	115.1
3602	E	40.3	Very low	36	Very low	155 Å²	155	152 Å²	152	72%	0.724	79%	0.791	S	S	*	*			trans	-155.2	113.3	149.4	-78.2	-157.9	132.8	0	0	108.1
3603	K	35.6	Very low	36.3	Very low	178 Å²	178	152.5 Å²	152.5	77%	0.774	79%	0.785	S	S	*	*				100.1	130.8	88.8	-81.5	172.1	-173.7	164.2	0	113.5
3604	E	36.2	Very low	36.3	Very low	174 Å²	174	157 Å²	157	81%	0.813	79%	0.787	S	S	*	*			trans	-65.4	166.5	173.9	-59.4	158.5	111.2	0	0	112.7
3605	P	38.7	Very low	36.1	Very low	127 Å²	127	150 Å²	150	83%	0.825	77%	0.773	S	S	*	*				-132.1	152.4	115.8	37.4	-30.6	0	0	0	115.1
3606	E	30.6	Very low	36.1	Very low	171 Å²	171	152.9 Å²	152.9	80%	0.799	78%	0.775	S	S	*	*			trans	-81.2	-157.6	-178.1	-48.3	166	103.9	0	0	113.4
3607	V	38.1	Very low	35.9	Very low	123 Å²	123	152 Å²	152	75%	0.745	77%	0.768	S	S	*	*			trans	88.2	85.7	168.6	-168.6	0	0	0	0	114.4
3608	L	32	Very low	35.6	Very low	140 Å²	140	147.5 Å²	147.5	73%	0.733	77%	0.766	S	S	*	*				61.9	88.1	75.5	-168.6	74.9	0	0	0	113.4
3609	Q	40.9	Very low	35.1	Very low	188 Å²	188	145 Å²	145	88%	0.879	77%	0.766	S	S	*	*			trans	-127.5	86.4	161.3	-81	-169.5	74.1	0	0	111.3
3610	D	39.1	Very low	34.7	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	77%	0.771	S	S	*	*			trans	-136.7	151	155.4	-141.6	6.2	0	0	0	103.5
3611	P	35.8	Very low	34.4	Very low	95 Å²	95	139.7 Å²	139.7	62%	0.617	76%	0.762	S	S	*	*			cis	-145.4	-176.8	18.7	45.1	-25.9	0	0	0	117.3
3612	L	31.8	Very low	34	Very low	160 Å²	160	145.3 Å²	145.3	84%	0.838	77%	0.765	S	S	*	*			trans	57.5	84.5	146.4	-73	161.7	0	0	0	118.6
3613	D	37.4	Very low	33.5	Very low	142 Å²	142	144 Å²	144	76%	0.759	76%	0.762	S	S	*	*			trans	-125.9	136.9	147.1	-144.4	49.2	0	0	0	106.5
3614	R	33.8	Very low	33.1	Very low	203 Å²	203	142.6 Å²	142.6	77%	0.766	76%	0.759	S	S	*	*			cis	-176.5	158	-27.6	-129.1	158.6	150.9	169.6	0.9	105
3615	C	27.9	Very low	33.1	Very low	87 Å²	87	141.5 Å²	141.5	59%	0.588	76%	0.758	S	S	*	*			trans	13.9	115	150.5	-54	0	0	0	0	119.1
3616	Y	35.4	Very low	32.9	Very low	225 Å²	225	139.9 Å²	139.9	88%	0.882	75%	0.747	S	S	*	*				-157.9	131.8	94.8	-71.9	-64.9	0	0	0	107.3
3617	S	28	Very low	32.9	Very low	96 Å²	96	138 Å²	138	67%	0.671	74%	0.742	S	S	*	*			cis	78.6	80.4	40.6	-52.3	0	0	0	0	114.8
3618	T	34.6	Very low	32.6	Very low	133 Å²	133	139.5 Å²	139.5	82%	0.816	75%	0.745	S	S	*	*			trans	-161.7	116.7	136.6	-71.1	0	0	0	0	109.5
3619	P	25.5	Very low	32.5	Very low	127 Å²	127	136.2 Å²	136.2	83%	0.825	75%	0.746	S	S	*	*			trans	-113.4	125.1	177.4	35.9	-25.8	0	0	0	113.6
3620	S	34	Very low	32.2	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	74%	0.742	S	S	*	*			trans	-171.8	128.7	164.1	54.5	0	0	0	0	110.4
3621	G	29.4	Very low	32.1	Very low	61 Å²	61	134.5 Å²	134.5	63%	0.629	74%	0.744	S	S	*	*			cis	-179.3	158.7	-6.4	0	0	0	0	0	111.1
3622	Y	28.5	Very low	31.7	Very low	211 Å²	211	140.6 Å²	140.6	83%	0.827	76%	0.756	S	S	*	*			trans	71.8	119.3	-165.5	-63.2	-90	0	0	0	112.7
3623	L	29.5	Very low	31.8	Very low	128 Å²	128	138.2 Å²	138.2	67%	0.67	75%	0.753	S	S	*	*				66.3	134.1	65.6	-81.2	73.8	0	0	0	111.5
3624	E	28.4	Very low	31.6	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	75%	0.747	S	S	*	*			cis	-155.6	132.4	-12.2	-117.5	162.2	173.8	0	0	105
3625	L	35.9	Very low	31.5	Very low	151 Å²	151	131.6 Å²	131.6	79%	0.791	76%	0.756	S	S	*	*				53.2	143.7	100.3	-68.7	-173.7	0	0	0	116
3626	P	33.5	Very low	31.7	Very low	93 Å²	93	132.7 Å²	132.7	60%	0.604	76%	0.759	S	S	*	*			cis	-144.2	-167.1	-12.6	41.2	-21	0	0	0	115.1
3627	D	31.7	Very low	31.7	Very low	130 Å²	130	132.4 Å²	132.4	70%	0.695	76%	0.758	S	S	*	*			trans	65.4	118.3	145.7	-62.3	-19.8	0	0	0	120.1
3628	L	31.3	Very low	32.1	Very low	155 Å²	155	133.4 Å²	133.4	81%	0.812	77%	0.765	S	S	*	*				89.4	108.4	63.7	-97.3	166.7	0	0	0	112.5
3629	G	30.7	Very low	32.1	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	77%	0.765	S	S	*	*			trans	150.6	95.7	175.3	0	0	0	0	0	113.3
3630	Q	35.1	Very low	32.6	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	77%	0.766	S	S	*	*			trans	-116.8	125.8	164.2	-81.8	-81.2	-17.3	0	0	107.4
3631	P	35.8	Very low	32.7	Very low	119 Å²	119	138.7 Å²	138.7	77%	0.773	76%	0.761	S	S	*	*				-139.9	125.8	126.2	33.6	-19.6	0	0	0	113.9
3632	Y	28.2	Very low	32.9	Very low	223 Å²	223	144.5 Å²	144.5	88%	0.875	77%	0.772	S	S	*	*			trans	9.1	162.3	140.9	-78.4	-91.7	0	0	0	122.7
3633	S	34.1	Very low	33.2	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	77%	0.768	S	S	*	*	S	Bend	trans	88.7	49.2	177.2	-161.9	0	0	0	0	116.3
3634	S	32.1	Very low	33.2	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	78%	0.776	S	S	*	*			trans	40.6	115.5	148.6	58.8	0	0	0	0	118.8	V3636	S3634-V3636 PolarHBondContact O-N 3.43Å
3635	A	31.6	Very low	33.5	Very low	115 Å²	115	141.6 Å²	141.6	95%	0.95	78%	0.779	S	S	*	*			trans	-64.4	100	165.6	0	0	0	0	0	111.2
3636	V	32.3	Very low	33.6	Very low	109 Å²	109	142.2 Å²	142.2	66%	0.661	78%	0.783	S	S	*	*			trans	-94.5	103.9	179.6	168.3	0	0	0	0	109	S3634	S3634-V3636 PolarHBondContact O-N 3.43Å
3637	Y	34.9	Very low	33.8	Very low	220 Å²	220	142.8 Å²	142.8	86%	0.863	80%	0.795	S	S	*	*			trans	45.7	100.8	160.9	-62	-98.8	0	0	0	119.6
3638	S	37.2	Very low	34.6	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	80%	0.797	S	S	*	*			trans	-166.3	129.6	130.2	-79	0	0	0	0	107.4
3639	L	34.8	Very low	35	Very low	155 Å²	155	143.7 Å²	143.7	81%	0.812	80%	0.8	S	S	*	*				72.6	65.2	63.3	-151.3	176.3	0	0	0	112.1
3640	E	35	Very low	36	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	79%	0.792	S	S	*	*			trans	-152.4	132.8	158.5	-99	175.8	-162	0	0	107
3641	E	37.3	Very low	36.1	Very low	150 Å²	150	144.6 Å²	144.6	70%	0.701	80%	0.796	S	S	*	*			cis	-152.7	164.1	-27.5	-142.5	178.9	-148.8	0	0	109.3	Y3643	E3641-Y3643 PolarHBondContact O-N 3.28Å
3642	Q	32.9	Very low	36.4	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	80%	0.797	S	S	*	*			trans	-77	117	174.8	-64	177.2	-87.8	0	0	110.8
3643	Y	34	Very low	36.9	Very low	193 Å²	193	144 Å²	144	76%	0.757	79%	0.785	S	S	*	*			trans	-133.5	101.7	158.5	-97.8	-79.3	0	0	0	114.3	E3641	E3641-Y3643 PolarHBondContact O-N 3.28Å
3644	L	31.5	Very low	37.2	Very low	159 Å²	159	148 Å²	148	83%	0.832	79%	0.788	S	S	*	*			trans	47.2	128	147.8	-86.7	57.5	0	0	0	120
3645	G	32.9	Very low	37.4	Very low	74 Å²	74	152.9 Å²	152.9	76%	0.763	80%	0.798	S	S	*	*			trans	-178.1	13.3	169.2	0	0	0	0	0	118.3	A3647	G3645-A3647 PolarHBondContact O-N 3.45Å
3646	L	39.6	Very low	37.7	Very low	165 Å²	165	153.6 Å²	153.6	86%	0.864	79%	0.786	S	S	*	*			trans	-70.9	98.5	176.4	-76.8	176.5	0	0	0	110.7	L3648	L3646-L3648 PolarHBondContact O-N 3.41Å
3647	A	37.5	Very low	38.1	Very low	105 Å²	105	156 Å²	156	87%	0.868	79%	0.79	S	S	*	*			trans	-70.5	79.7	170.4	0	0	0	0	0	110.6	G3645 D3649	G3645-A3647 PolarHBondContact O-N 3.45Å; A3647-D3649 PolarHBondContact O-N 3.11Å; A3647-D3649 VanDerWaalsContact O-N 3.13Å
3648	L	47.6	Very low	38.2	Very low	141 Å²	141	153.2 Å²	153.2	74%	0.738	79%	0.785	S	S	*	*			trans	-69.5	99	163.5	-68.1	174.9	0	0	0	108.5	L3646 V3650	L3646-L3648 PolarHBondContact O-N 3.41Å; L3648-V3650 VanDerWaalsContact C-N 3.3Å; L3648-V3650 HydrophobicContact CB-CG2 3.9Å; L3648-V3650 PolarHBondContact O-N 2.74Å
3649	D	40.9	Very low	38.1	Very low	162 Å²	162	157.1 Å²	157.1	87%	0.866	79%	0.791	S	S	*	*			trans	-74.6	92.5	161.8	-155.7	-2.7	0	0	0	107.6	A3647 D3651	A3647-D3649 PolarHBondContact O-N 3.11Å; A3647-D3649 VanDerWaalsContact O-N 3.13Å; D3649-D3651 PolarHBondContact O-N 3.2Å
3650	V	49.8	Very low	38.7	Very low	97 Å²	97	158.5 Å²	158.5	59%	0.588	79%	0.793	S	S	*	*			trans	-74.8	92.1	-172.4	179.6	0	0	0	0	109.2	L3648 R3652	L3648-V3650 VanDerWaalsContact C-N 3.3Å; L3648-V3650 HydrophobicContact CB-CG2 3.9Å; L3648-V3650 PolarHBondContact O-N 2.74Å; V3650-R3652 WeakPolarHBondContact O-CA 3.43Å; V3650-R3652 PolarHBondContact O-N 3.44Å
3651	D	38.9	Very low	38.8	Very low	165 Å²	165	158.3 Å²	158.3	88%	0.882	79%	0.792	S	S	*	*			trans	-58	127	173.5	-153	-9.8	0	0	0	110.1	D3649 I3653	D3649-D3651 PolarHBondContact O-N 3.2Å; D3651-I3653 PolarHBondContact O-N 2.61Å
3652	R	41.1	Very low	38.8	Very low	208 Å²	208	156.7 Å²	156.7	79%	0.785	79%	0.788	S	S	*	*			trans	-103.3	106.1	-130.9	-171.3	179.5	176.4	-175	0.9	113.8	V3650	V3650-R3652 WeakPolarHBondContact O-CA 3.43Å; V3650-R3652 PolarHBondContact O-N 3.44Å
3653	I	40	Very low	39.1	Very low	123 Å²	123	156 Å²	156	63%	0.631	79%	0.785	S	S	*	*			trans	50.4	109.6	148.4	-51.6	168.2	0	0	0	115.9	D3651	D3651-I3653 PolarHBondContact O-N 2.61Å
3654	K	39.1	Very low	39	Very low	192 Å²	192	148.4 Å²	148.4	84%	0.835	77%	0.766	S	S	*	*			trans	-132.8	98.4	135.4	-73.7	-158.1	173.7	-163.7	0	111.2
3655	K	37.6	Very low	39.4	Very low	194 Å²	194	145 Å²	145	84%	0.843	75%	0.753	S	S	*	*			trans	-83.3	123	147.6	-75.9	-174.3	172.4	-169.9	0	106.6
3656	D	36.7	Very low	39.6	Very low	130 Å²	130	145.7 Å²	145.7	70%	0.695	74%	0.744	S	S	*	*			trans	-158.6	145.6	162.1	-80.5	-51.6	0	0	0	106.1
3657	Q	41.5	Very low	39.4	Very low	159 Å²	159	144.1 Å²	144.1	74%	0.743	75%	0.745	S	S	*	*			trans	66.7	137.3	-177.2	-50.6	-168.6	-79.6	0	0	115.7
3658	E	36.4	Very low	39.3	Very low	163 Å²	163	144.5 Å²	144.5	76%	0.762	74%	0.739	S	S	*	*			cis	-154.4	151.2	-16	-125.7	140.4	-148.7	0	0	108.8
3659	E	35.5	Very low	38.5	Very low	198 Å²	198	148.8 Å²	148.8	93%	0.925	75%	0.745	S	S	*	*			trans	-101.7	133.6	168.7	-69.4	178.5	125.4	0	0	108.8
3660	E	46.2	Very low	38.4	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	74%	0.744	S	S	*	*			trans	-133.4	110.9	166.2	-160.9	172.8	-159.1	0	0	103.9
3661	E	37.7	Very low	37.9	Very low	180 Å²	180	148.4 Å²	148.4	84%	0.841	75%	0.747	S	S	*	*				59.2	134.7	80.3	-70.3	-165.2	169.9	0	0	112.5
3662	D	37.6	Very low	37.8	Very low	116 Å²	116	150.1 Å²	150.1	62%	0.62	74%	0.741	S	S	*	*			cis	-166.7	167.5	-3.6	173.9	30.3	0	0	0	108.7
3663	Q	39.6	Very low	37.6	Very low	167 Å²	167	146.5 Å²	146.5	78%	0.78	73%	0.733	S	S	*	*			trans	70.2	156.7	166.5	-37.1	-171.6	9.5	0	0	117.7
3664	G	30.9	Very low	37.3	Very low	35 Å²	35	148.1 Å²	148.1	36%	0.361	74%	0.742	S	S	.	*			cis	-179.7	172.9	-2.2	0	0	0	0	0	113.1	Q3142 P3143	Q3142-G3664 CarbonylContact O-C 3Å; Q3142-G3664 WeakPolarHBondContact O-CA 3.18Å; P3143-G3664 WeakPolarHBondContact CG-O 3.35Å
3665	P	40.6	Very low	37.4	Very low	86 Å²	86	146.3 Å²	146.3	56%	0.558	74%	0.74	S	S	*	*			trans	-92.7	161.1	-154	-5.7	22.8	0	0	0	118.1	Q3142	Q3142-P3665 HydrophobicContact CB-CB 3.93Å; Q3142-P3665 HydrophobicContact CB-CG 4.09Å; Q3142-P3665 WeakPolarHBondContact O-CA 2.92Å; Q3142-P3665 WeakPolarHBondContact O-CB 3.04Å; Q3142-P3665 WeakPolarHBondContact O-CD 3.34Å; Q3142-P3665 WeakPolarHBondContact O-CG 3.4Å
3666	P	37.4	Very low	37.5	Very low	90 Å²	90	145 Å²	145	58%	0.584	74%	0.737	S	S	*	*			trans	-85.4	151.4	174.7	34.9	-35.3	0	0	0	113.9
3667	C	35.7	Very low	37.8	Very low	131 Å²	131	145.1 Å²	145.1	89%	0.885	74%	0.743	S	S	*	*			trans	-111.7	120.8	-177.6	-68.2	0	0	0	0	113.9
3668	P	34.6	Very low	37.8	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	75%	0.748	S	S	*	*			trans	-107.5	152.1	170.7	36.8	-30.8	0	0	0	114
3669	R	31.2	Very low	37.7	Very low	230 Å²	230	145.1 Å²	145.1	87%	0.868	75%	0.752	S	S	*	*			trans	114.2	157.9	157.8	-66.8	179.8	156.2	140.1	-1	117.9
3670	L	38.4	Very low	37.9	Very low	160 Å²	160	141.4 Å²	141.4	84%	0.838	75%	0.745	S	S	*	*			trans	82.4	148.2	166.6	-50	-176.4	0	0	0	116.5
3671	S	38.2	Very low	37.3	Very low	92 Å²	92	141 Å²	141	64%	0.643	74%	0.743	S	S	*	*			cis	-173.5	139	-40.5	48.8	0	0	0	0	111
3672	R	38.4	Very low	37.3	Very low	200 Å²	200	137.3 Å²	137.3	76%	0.755	73%	0.733	S	S	*	*			trans	52.6	124.2	150.8	-71	-173.9	110.1	121.1	17.4	121.1
3673	E	36.9	Very low	37.2	Very low	132 Å²	132	138 Å²	138	62%	0.617	74%	0.735	S	S	*	*				64.6	123.7	124.2	-62.4	161.8	-169.9	0	0	121.2
3674	L	32.6	Very low	37.1	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	73%	0.734	S	S	*	*			trans	70.5	99.7	141.1	-62.6	166.7	0	0	0	120.7
3675	L	42.3	Very low	37.2	Very low	153 Å²	153	142.8 Å²	142.8	80%	0.801	75%	0.753	S	S	*	*				-164.1	124.4	120.9	-119.3	65.1	0	0	0	106.8
3676	E	38.6	Very low	37.1	Very low	166 Å²	166	143.7 Å²	143.7	78%	0.776	76%	0.762	S	S	*	*				60.2	83.4	88.3	-148.8	164.5	-145.2	0	0	111.7
3677	V	42.8	Very low	37.2	Very low	134 Å²	134	146 Å²	146	81%	0.812	77%	0.769	S	S	*	*				70.4	105.3	85.6	175	0	0	0	0	113.6
3678	V	42.2	Very low	37.5	Very low	142 Å²	142	145.1 Å²	145.1	86%	0.861	76%	0.755	S	S	*	*			trans	-165.7	151.3	133.9	139.8	0	0	0	0	107.5
3679	E	34.6	Very low	37.6	Very low	180 Å²	180	151 Å²	151	84%	0.841	76%	0.762	S	S	*	*			trans	-76.8	161.5	-173.4	-82.7	176.5	128.6	0	0	114.4
3680	P	38.6	Very low	37.8	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	75%	0.746	S	S	*	*			trans	-78.2	150.4	177.1	33.9	-36.3	0	0	0	112.1
3681	E	33.7	Very low	37.8	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	75%	0.747	S	S	*	*			trans	-164.6	130.8	153.1	-103	-74.4	91.8	0	0	108.4
3682	V	38.2	Very low	37.4	Very low	104 Å²	104	146.5 Å²	146.5	63%	0.63	75%	0.747	S	S	*	*			trans	25.6	145.2	158.5	-112.7	0	0	0	0	124.3
3683	L	36.4	Very low	37.3	Very low	129 Å²	129	143.6 Å²	143.6	68%	0.675	75%	0.751	S	S	*	*			trans	76.1	137.7	158.1	-56.6	165.8	0	0	0	115.9
3684	Q	35.8	Very low	36.9	Very low	162 Å²	162	142.6 Å²	142.6	76%	0.757	76%	0.756	S	S	*	*				54.5	134.1	100.5	-50.1	171.8	-9.1	0	0	113.3
3685	D	33.5	Very low	36.9	Very low	141 Å²	141	140.8 Å²	140.8	75%	0.754	76%	0.757	S	S	*	*			cis	-123	164.2	24.4	-74.5	-58	0	0	0	113
3686	S	39.2	Very low	36.2	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	76%	0.756	S	S	*	*				170.8	156.7	82.8	41.8	0	0	0	0	110.4
3687	L	40	Very low	35.8	Very low	139 Å²	139	136.5 Å²	136.5	73%	0.728	76%	0.757	S	S	*	*			cis	-154.4	163.2	-9.9	-111.7	165.9	0	0	0	108.3
3688	D	42.1	Very low	35.5	Very low	112 Å²	112	137.5 Å²	137.5	60%	0.599	76%	0.757	S	S	*	*			trans	41.4	92.9	152.8	-63.9	-26.1	0	0	0	119.6	C3690	D3688-C3690 VanDerWaalsContact C-N 3.32Å; D3688-C3690 HydrophobicContact CB-CB 4.24Å; D3688-C3690 PolarHBondContact OD1-SG 3Å
3689	R	35.3	Very low	35.2	Very low	237 Å²	237	139 Å²	139	89%	0.894	76%	0.755	S	S	*	*				-99.8	60.4	122.7	-152.5	174.7	-156.6	-160.7	5.2	111.3	Y3691	R3689-Y3691 PolarHBondContact O-N 2.87Å
3690	C	35.4	Very low	35.3	Very low	77 Å²	77	138.7 Å²	138.7	52%	0.52	75%	0.753	S	S	.	*			trans	-58.3	108	171.3	-101.1	0	0	0	0	111.3	D3688	D3688-C3690 VanDerWaalsContact C-N 3.32Å; D3688-C3690 HydrophobicContact CB-CB 4.24Å; D3688-C3690 PolarHBondContact OD1-SG 3Å
3691	Y	39	Very low	35.3	Very low	218 Å²	218	137.7 Å²	137.7	86%	0.855	75%	0.747	S	S	*	*			trans	-125.9	74.9	153.3	-94.6	-73.4	0	0	0	109.2	R3689	R3689-Y3691 PolarHBondContact O-N 2.87Å
3692	S	29.3	Very low	35.1	Very low	92 Å²	92	136.3 Å²	136.3	64%	0.643	75%	0.745	S	S	*	*			trans	-72.1	132.3	179.9	-42.8	0	0	0	0	111.5
3693	T	37.4	Very low	34.8	Very low	139 Å²	139	136.6 Å²	136.6	85%	0.853	75%	0.751	S	S	*	*			trans	-150.1	116.5	153.9	-63.2	0	0	0	0	108.9
3694	P	27.7	Very low	34.6	Very low	111 Å²	111	136 Å²	136	72%	0.721	76%	0.756	S	S	*	*			trans	-101.4	-170.2	-173.6	40.2	-37.1	0	0	0	113.5
3695	S	32.4	Very low	34.4	Very low	121 Å²	121	135 Å²	135	85%	0.846	75%	0.752	S	S	*	*			trans	84.8	145.2	172.9	81.5	0	0	0	0	116.2
3696	S	28.8	Very low	34.3	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	74%	0.738	S	S	*	*			cis	-142.6	157.3	3.1	58.9	0	0	0	0	113.9
3697	C	29.5	Very low	33.7	Very low	117 Å²	117	135.6 Å²	135.6	79%	0.791	74%	0.738	S	S	*	*			trans	-58.9	151.2	-176.3	48.1	0	0	0	0	118.7
3698	L	35.6	Very low	33.2	Very low	155 Å²	155	132.2 Å²	132.2	81%	0.812	74%	0.737	S	S	*	*			trans	168.4	142.7	141.9	-91.2	164.2	0	0	0	106.5
3699	E	36.4	Very low	32.7	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	75%	0.749	S	S	*	*			cis	-147.1	169.1	2.2	-160.2	165.5	152.8	0	0	109.1
3700	Q	38	Very low	32.5	Very low	172 Å²	172	125.7 Å²	125.7	80%	0.804	74%	0.736	S	S	*	*			trans	-100.2	-164.8	179.5	-47.4	175.3	-102.6	0	0	110.7
3701	P	36.6	Very low	32.3	Very low	99 Å²	99	131.6 Å²	131.6	64%	0.643	75%	0.754	S	S	*	*			cis	-126.8	164.9	-32.2	18.4	4.5	0	0	0	114
3702	D	30.5	Very low	32.2	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	76%	0.756	S	S	*	*			trans	9.3	130	131.2	-24.5	-50.7	0	0	0	119.7
3703	S	31.1	Very low	33.1	Very low	109 Å²	109	132 Å²	132	76%	0.762	76%	0.76	S	S	*	*				-158.4	108.1	129.3	70.5	0	0	0	0	114.1
3704	C	32.4	Very low	33	Very low	116 Å²	116	134.2 Å²	134.2	78%	0.784	77%	0.766	S	S	*	*			trans	59.8	117.6	131.4	-55.4	0	0	0	0	121.7
3705	Q	31.5	Very low	33.8	Very low	142 Å²	142	137.3 Å²	137.3	66%	0.664	77%	0.77	S	S	*	*				82.2	153.8	119.4	-74.4	-95.3	-63	0	0	118.1
3706	P	33.1	Very low	34.2	Very low	72 Å²	72	141 Å²	141	47%	0.468	77%	0.774	S	S	.	*				-139	-159.7	-111.3	37.2	-13.8	0	0	0	113.3
3707	Y	26.2	Very low	34.6	Very low	187 Å²	187	143.6 Å²	143.6	73%	0.733	77%	0.772	S	S	*	*			trans	51.9	145.4	144.1	-117.3	-112	0	0	0	121.8
3708	G	28.1	Very low	35.2	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	77%	0.772	S	S	*	*			trans	89.8	61.1	146.5	0	0	0	0	0	118.5
3709	S	32.7	Very low	35.1	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	77%	0.769	S	S	*	*			trans	-137.5	79.6	143.3	49.8	0	0	0	0	111.2
3710	S	30.2	Very low	35.1	Very low	89 Å²	89	139.4 Å²	139.4	62%	0.622	76%	0.76	S	S	*	*			trans	-62.5	136.8	165.2	27.2	0	0	0	0	111.1
3711	F	31.4	Very low	34.8	Very low	201 Å²	201	139.1 Å²	139.1	88%	0.882	76%	0.756	S	S	*	*			trans	31.3	102.7	150.4	-60.5	-81.9	0	0	0	119.1
3712	Y	37.2	Very low	34.6	Very low	230 Å²	230	138.8 Å²	138.8	90%	0.902	76%	0.757	S	S	*	*			trans	-133.1	148.6	153.2	-79.1	-76.5	0	0	0	111.5
3713	A	47.5	Very low	34.9	Very low	88 Å²	88	138.1 Å²	138.1	73%	0.727	75%	0.752	S	S	*	*			trans	61	66.1	164.7	0	0	0	0	0	118.3
3714	L	36.7	Very low	35.2	Very low	186 Å²	186	135.3 Å²	135.3	97%	0.974	73%	0.729	S	S	*	*			trans	-104.1	73.2	131.9	-79.2	-176.7	0	0	0	109.2
3715	E	43.5	Very low	35.5	Very low	176 Å²	176	134.3 Å²	134.3	82%	0.822	72%	0.719	S	S	*	*			trans	-105.4	88.2	164.8	-71.3	-159.1	129.5	0	0	109.6	K3717	E3715-K3717 PolarHBondContact O-N 3.41Å
3716	E	41.4	Very low	36.1	Very low	198 Å²	198	128.4 Å²	128.4	93%	0.925	70%	0.696	S	S	*	*			trans	-77	76	168.1	-169.4	179	-170.4	0	0	109.9
3717	K	36.7	Very low	36.6	Very low	167 Å²	167	134.2 Å²	134.2	73%	0.726	72%	0.717	S	S	*	*			trans	-141.1	101.9	170.3	-74.3	-172.3	-179.3	172.3	0	111.6	E3715	E3715-K3717 PolarHBondContact O-N 3.41Å
3718	H	42.6	Very low	37.9	Very low	173 Å²	173	133 Å²	133	80%	0.801	72%	0.721	S	S	*	*				178.4	105.5	115.5	-91.7	-70.9	0	0	0	106.2
3719	V	34.2	Very low	38.5	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	72%	0.721	S	S	*	*				55.6	98.4	78.5	-178.5	0	0	0	0	111
3720	G	35.3	Very low	39.1	Very low	60 Å²	60	138.6 Å²	138.6	62%	0.619	71%	0.713	S	S	*	*			trans	146.9	131.9	166.7	0	0	0	0	0	113.7
3721	F	32.8	Very low	39.6	Very low	166 Å²	166	143.5 Å²	143.5	73%	0.728	72%	0.723	S	S	*	*			cis	-143.2	141.1	-14.8	-90	-82.5	0	0	0	110
3722	S	31.5	Very low	40	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	72%	0.721	S	S	*	*				10.6	120.7	123.7	-41.6	0	0	0	0	117.4
3723	L	37	Very low	40.2	Very low	131 Å²	131	135.2 Å²	135.2	69%	0.686	72%	0.715	S	S	*	*				176.6	132	123.3	-110.3	90	0	0	0	106.6
3724	D	36.6	Very low	40	Very low	51 Å²	51	134.7 Å²	134.7	27%	0.273	72%	0.718	S	S	.	*			cis	-161.7	-164.8	-9.7	-155.8	-54.4	0	0	0	108
3725	V	39.1	Very low	40.3	Very low	94 Å²	94	134.2 Å²	134.2	57%	0.57	71%	0.708	S	S	*	*			trans	-133.2	134.1	174.9	-174.7	0	0	0	0	112.7
3726	G	44.7	Very low	40.2	Very low	18 Å²	18	130.9 Å²	130.9	19%	0.186	69%	0.691	C	S	.	*			trans	-129.7	102.1	-162	0	0	0	0	0	113.1	I3728	G3726-I3728 PolarHBondContact O-N 2.8Å
3727	E	44	Very low	40.3	Very low	194 Å²	194	130.3 Å²	130.3	91%	0.907	68%	0.68	S	S	*	*			trans	35.6	74.2	155.1	-52.5	-154.1	142.7	0	0	118
3728	I	51.9	Low	40.5	Very low	162 Å²	162	125.7 Å²	125.7	83%	0.831	66%	0.658	S	S	*	*			trans	-72.3	126.9	168.2	42.4	168.3	0	0	0	113.1	G3726	G3726-I3728 PolarHBondContact O-N 2.8Å
3729	E	41	Very low	40.6	Very low	148 Å²	148	119.7 Å²	119.7	69%	0.692	64%	0.643	S	S	*	*			trans	-75.9	150	173.5	-84.3	-144.2	124.6	0	0	114.6
3730	K	45.2	Very low	41.2	Very low	161 Å²	161	124.8 Å²	124.8	70%	0.7	65%	0.649	S	S	*	*			trans	55.6	70	143.6	-66.3	168	-173.5	146.6	0	118.8	G3732	K3730-G3732 PolarHBondContact O-N 3.45Å
3731	K	42.1	Very low	42	Very low	192 Å²	192	133.3 Å²	133.3	84%	0.835	66%	0.662	S	S	*	*				30.7	86.8	120.8	-65.1	-179.6	177.5	175.8	0	117.4
3732	G	40	Very low	42.5	Very low	82 Å²	82	130.5 Å²	130.5	85%	0.845	66%	0.663	S	S	*	*			trans	-121	86	154.2	0	0	0	0	0	110.6	K3730	K3730-G3732 PolarHBondContact O-N 3.45Å
3733	K	40	Very low	43.1	Very low	176 Å²	176	135.7 Å²	135.7	77%	0.765	67%	0.674	S	S	*	*			trans	-124.4	126.7	-171.5	-81.8	-166.9	175.1	-175	0	114.5
3734	G	42.8	Very low	43.2	Very low	77 Å²	77	138.1 Å²	138.1	79%	0.794	68%	0.679	S	S	*	*			trans	97.7	140.7	156.2	0	0	0	0	0	115.6
3735	K	43.8	Very low	43.4	Very low	175 Å²	175	144.7 Å²	144.7	76%	0.761	71%	0.708	S	S	*	*			cis	-141.5	139.3	-4.7	-67.9	-176	177.2	-177.8	0	109.6
3736	K	42.1	Very low	43.4	Very low	106 Å²	106	151.4 Å²	151.4	46%	0.461	72%	0.723	S	S	.	*			trans	-84.6	145.3	162.8	-61.7	-177.6	175.7	-175.4	0	109.2	L3195 D3197 S3198	L3195-K3736 HydrophobicContact CD1-CB 4.14Å; L3195-K3736 HydrophobicContact CD2-CB 3.67Å; L3195-K3736 HydrophobicContact CD2-CD 4.01Å; L3195-K3736 HydrophobicContact CD2-CG 4.5Å; L3195-K3736 HydrophobicContact CG-CB 4.47Å; D3197-K3736 HydrophobicContact CB-CD 4.49Å; D3197-K3736 PolarHBondContact O-NZ 2.94Å; S3198-K3736 PolarHBondContact OG-NZ 3.1Å
3737	R	42	Very low	43.3	Very low	187 Å²	187	160.1 Å²	160.1	71%	0.706	75%	0.75	S	S	*	*			trans	-135.7	112.4	148	-94	-163.6	162.5	-177.2	-7.2	106.9	E3193	E3193-R3737 IonicContact OE1-CZ 2.68Å; E3193-R3737 IonicContact OE1-NE 3.21Å; E3193-R3737 IonicContact OE1-NH2 3.84Å; E3193-R3737 PolarHBondContact OE1-NH2 2.84Å
3738	R	42.6	Very low	43.2	Very low	69 Å²	69	161 Å²	161	26%	0.26	75%	0.745	S	S	.	*				61.3	112.9	90.8	-66.1	179.8	164	137.7	-4.9	112.1	E3193 V3194 L3195 D3197	E3193-R3738 IonicContact OE1-CZ 2.7Å; E3193-R3738 IonicContact OE1-NH1 3.87Å; E3193-R3738 PolarHBondContact OE1-NH1 3.5Å; E3193-R3738 IonicContact OE2-CZ 2.66Å; E3193-R3738 IonicContact OE2-NH1 2.84Å; E3193-R3738 PolarHBondContact OE2-NH1 2.89Å; E3193-R3738 IonicContact OE2-NH2 2.7Å; V3194-R3738 HydrophobicContact CB-CG 4.3Å; V3194-R3738 HydrophobicContact CG1-CB 3.96Å; V3194-R3738 HydrophobicContact CG1-CG 3.75Å; V3194-R3738 PolarHBondContact O-NE 3.4Å; V3194-R3738 PolarHBondContact O-NH2 3Å; L3195-R3738 HydrophobicContact CB-CG 3.9Å; L3195-R3738 VanDerWaalsContact CB-NE 3.27Å; L3195-R3738 HydrophobicContact CD2-CG 3.65Å; L3195-R3738 HydrophobicContact CG-CG 3.44Å; L3195-R3738 VanDerWaalsContact CG-CG 3.44Å; L3195-R3738 VanDerWaalsContact N-NE 3.12Å; D3197-R3738 PolarHBondContact OD1-N 2.79Å; D3197-R3738 PolarHBondContact OD2-N 3.07Å
3739	G	44.1	Very low	42.4	Very low	47 Å²	47	156.3 Å²	156.3	49%	0.485	74%	0.738	S	S	.	*			cis	158.6	161.1	-7.5	0	0	0	0	0	110.9	D3197	D3197-G3739 WeakPolarHBondContact OD1-CA 3.2Å
3740	R	47.5	Very low	42.4	Very low	231 Å²	231	160 Å²	160	87%	0.872	75%	0.745	S	S	*	*			trans	-156.6	141.2	175	-109.6	176.4	-172.1	-166.1	0.3	113.5
3741	R	50.5	Low	42.1	Very low	239 Å²	239	161.8 Å²	161.8	90%	0.902	75%	0.753	S	S	*	*			trans	70	142.7	165.7	-63.6	178.5	173.1	170.3	-4.4	116.8
3742	S	43.6	Very low	41.7	Very low	107 Å²	107	161 Å²	161	75%	0.748	75%	0.752	S	S	*	*			trans	-131.1	175.5	-177	57.5	0	0	0	0	109.6
3743	K	44.3	Very low	41.6	Very low	202 Å²	202	160.3 Å²	160.3	88%	0.878	75%	0.745	S	S	*	*			trans	68.3	98	-174.5	-56.4	-176.1	178.6	-177.9	0	111.9
3744	K	38.9	Very low	41.4	Very low	183 Å²	183	160.2 Å²	160.2	80%	0.796	75%	0.747	S	S	*	*			cis	82.4	71.5	38.2	-158.8	175.9	-176.1	167.9	0	112.9
3745	E	40.2	Very low	40.8	Very low	188 Å²	188	165.2 Å²	165.2	88%	0.879	75%	0.75	S	S	*	*			trans	-111.4	106.7	157	-176.4	-174.3	178.4	0	0	109.1
3746	R	39.8	Very low	40.6	Very low	236 Å²	236	164.1 Å²	164.1	89%	0.891	75%	0.753	S	S	*	*			trans	-164.8	124.6	161.2	-79.5	-160.3	81.2	170.8	4.8	110
3747	R	42.8	Very low	40.2	Very low	200 Å²	200	166.3 Å²	166.3	76%	0.755	77%	0.765	S	S	*	*			trans	159.9	140.2	154.7	-92.1	174.7	-176	-163	2.7	105
3748	R	41.1	Very low	40	Very low	212 Å²	212	164.7 Å²	164.7	80%	0.8	77%	0.77	S	S	*	*			cis	-154.4	159.8	-11.9	-94.7	155.5	177.5	177.7	-3.2	103
3749	G	36.5	Very low	39.9	Very low	65 Å²	65	166.3 Å²	166.3	67%	0.67	79%	0.789	S	S	*	*			cis	153.8	129.1	16.8	0	0	0	0	0	105.9
3750	R	39.8	Very low	39.4	Very low	225 Å²	225	169.5 Å²	169.5	85%	0.849	80%	0.801	S	S	*	*				65.3	107.6	108.2	-170.7	-167.1	-169	-153.9	3.8	115.2
3751	K	40.3	Very low	38.9	Very low	199 Å²	199	164.6 Å²	164.6	87%	0.865	80%	0.801	S	S	*	*				-165.7	107.1	117.2	-104.7	174.6	-179.5	-172.5	0	110.4
3752	E	33.2	Very low	38.2	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	79%	0.785	S	S	*	*			trans	-66.7	158	150.5	-57	105.2	144.6	0	0	109.8
3753	G	37.2	Very low	37.9	Very low	68 Å²	68	164 Å²	164	70%	0.701	79%	0.794	S	S	*	*			trans	-154.4	146.7	173.9	0	0	0	0	0	110.2
3754	E	36.7	Very low	37.2	Very low	173 Å²	173	160.9 Å²	160.9	81%	0.808	79%	0.786	S	S	*	*			trans	-42.9	136.4	-175.8	-75.1	130.2	117	0	0	114.5
3755	E	30.6	Very low	36.9	Very low	183 Å²	183	159.5 Å²	159.5	86%	0.855	79%	0.788	S	S	*	*				55.1	101.6	72.4	-63.3	-168.1	145.5	0	0	113.1
3756	D	39.2	Very low	36.9	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	77%	0.773	S	S	*	*				-151.7	155.6	109.9	-157.3	9.5	0	0	0	111.8
3757	Q	34	Very low	37	Very low	153 Å²	153	150.4 Å²	150.4	72%	0.715	77%	0.774	S	S	*	*			trans	-69.2	156.2	179.8	-51.7	-88.5	-38.2	0	0	111.7
3758	N	37.6	Very low	36.5	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	77%	0.774	S	S	*	*				-167.8	144.4	114.8	-104	-76.9	0	0	0	111.3
3759	P	39.7	Very low	36.4	Very low	103 Å²	103	144.8 Å²	144.8	67%	0.669	77%	0.771	S	S	*	*			trans	-88.9	161.7	-165.8	34.5	-36.7	0	0	0	115.6
3760	P	34.8	Very low	36.3	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	78%	0.777	S	S	*	*			trans	-85.5	164	-167.9	34.4	-38	0	0	0	115.5
3761	C	36.7	Very low	36.2	Very low	129 Å²	129	146.3 Å²	146.3	87%	0.872	78%	0.781	S	S	*	*			trans	-125.6	99.5	176.8	-77.9	0	0	0	0	111.9
3762	P	35	Very low	35.8	Very low	86 Å²	86	145.3 Å²	145.3	56%	0.558	78%	0.779	S	S	*	*			trans	-83.7	138.1	-174.6	32.1	-35	0	0	0	113
3763	R	38.3	Very low	35.7	Very low	247 Å²	247	146 Å²	146	93%	0.932	78%	0.782	S	S	*	*			trans	-141.5	89.7	166.7	-83.5	-161.9	167.7	160.6	0.4	113.9
3764	L	29	Very low	35.6	Very low	136 Å²	136	147.8 Å²	147.8	71%	0.712	78%	0.781	S	S	*	*			trans	-62.4	136.3	156.5	-56.1	168.6	0	0	0	110.5
3765	N	33.1	Very low	35.5	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	79%	0.785	S	S	*	*				-162.9	163.7	109.4	-129.1	-58.8	0	0	0	113.6
3766	S	40	Very low	35.7	Very low	83 Å²	83	146 Å²	146	58%	0.58	78%	0.781	S	S	*	*			trans	-80.5	158.5	-175.5	54.5	0	0	0	0	114.4
3767	V	41	Very low	35.6	Very low	150 Å²	150	146.7 Å²	146.7	91%	0.909	78%	0.784	S	S	*	*			trans	-115.1	148.2	152.7	179.3	0	0	0	0	106.9
3768	L	32.2	Very low	35.8	Very low	143 Å²	143	147 Å²	147	75%	0.749	79%	0.786	S	S	*	*			trans	-128.6	167.2	-163	-97.6	171.4	0	0	0	112.6
3769	M	40.1	Very low	35.5	Very low	150 Å²	150	147 Å²	147	74%	0.739	79%	0.785	S	S	*	*			trans	72	121	172.8	-63.2	-175.2	73.6	0	0	114.7
3770	E	34.4	Very low	35.5	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	79%	0.794	S	S	*	*				79.5	117.2	58	-70.7	177.9	169.9	0	0	112.8
3771	V	38.1	Very low	35.4	Very low	152 Å²	152	150 Å²	150	92%	0.921	80%	0.799	S	S	*	*			trans	-132.4	131.6	167.7	174.8	0	0	0	0	106.2
3772	E	31.9	Very low	35.2	Very low	178 Å²	178	151.8 Å²	151.8	83%	0.832	80%	0.799	S	S	*	*			trans	-128.6	120.7	-171.1	174.7	-177.9	-155.3	0	0	108.9
3773	E	30.2	Very low	35.2	Very low	190 Å²	190	150.7 Å²	150.7	89%	0.888	80%	0.804	S	S	*	*			trans	-153.8	102.7	173.2	-158.4	166.3	-118	0	0	111.7
3774	P	34.6	Very low	34.9	Very low	105 Å²	105	144.2 Å²	144.2	68%	0.682	80%	0.795	S	S	*	*			trans	-125.2	106.6	173	34.6	-18.8	0	0	0	112.3
3775	E	35.5	Very low	35.2	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	80%	0.803	S	S	*	*			trans	-104.3	145.6	169.7	-68.9	-148.2	141.2	0	0	112.6
3776	V	34.4	Very low	35	Very low	128 Å²	128	145.7 Å²	145.7	78%	0.776	80%	0.796	S	S	*	*			trans	-139.3	119.7	-178.7	-161	0	0	0	0	108.8
3777	L	37	Very low	35.2	Very low	166 Å²	166	148 Å²	148	87%	0.869	81%	0.807	S	S	*	*			trans	-133.8	140.9	171.3	-89.4	171.7	0	0	0	110.8
3778	Q	37.6	Very low	34.8	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.752	80%	0.798	S	S	*	*			trans	-120.5	169	177.4	-68.1	-179.8	-23.2	0	0	109.5
3779	D	32.9	Very low	34.6	Very low	150 Å²	150	144.6 Å²	144.6	80%	0.802	80%	0.799	S	S	*	*			trans	63.7	105.3	160.3	-56.4	-19.7	0	0	0	119.5
3780	S	38.3	Very low	34.1	Very low	122 Å²	122	145.6 Å²	145.6	85%	0.853	80%	0.804	S	S	*	*			trans	-146.1	114.1	139.9	65.6	0	0	0	0	110.7
3781	L	33.3	Very low	33.7	Very low	160 Å²	160	148 Å²	148	84%	0.838	81%	0.807	S	S	*	*			trans	-89.7	-176	174.7	-71.5	166.8	0	0	0	111.7
3782	D	31.9	Very low	33.4	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	80%	0.801	S	S	*	*			trans	89.5	143.1	165.3	-61.7	-24	0	0	0	119.4
3783	G	35.2	Very low	33.4	Very low	64 Å²	64	148.5 Å²	148.5	66%	0.66	80%	0.797	S	S	*	*			trans	158.2	43.9	176.8	0	0	0	0	0	117
3784	C	31.3	Very low	33.6	Very low	110 Å²	110	147.4 Å²	147.4	74%	0.743	80%	0.797	S	S	*	*			trans	-76.9	134.5	-172.9	-54.1	0	0	0	0	115.5
3785	Y	36.9	Very low	33.4	Very low	225 Å²	225	147.7 Å²	147.7	88%	0.882	80%	0.798	S	S	*	*			trans	-143.4	123.6	155.5	-59.1	-89.2	0	0	0	106.9
3786	S	28.5	Very low	33.2	Very low	97 Å²	97	145.9 Å²	145.9	68%	0.678	80%	0.795	S	S	*	*			cis	85.1	83.4	23.5	-51.5	0	0	0	0	116
3787	T	43.1	Very low	33.1	Very low	133 Å²	133	144.9 Å²	144.9	82%	0.816	79%	0.794	S	S	*	*			trans	42.3	131.1	139.6	57	0	0	0	0	119.5
3788	P	33.1	Very low	33.1	Very low	111 Å²	111	146 Å²	146	72%	0.721	79%	0.792	S	S	*	*				-158.9	178.3	74.1	42.9	-23.9	0	0	0	118.5
3789	S	27.9	Very low	32.9	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	79%	0.79	S	S	*	*			trans	76.4	149.3	148.9	90.2	0	0	0	0	117.6
3790	M	31	Very low	32.7	Very low	171 Å²	171	147 Å²	147	84%	0.842	79%	0.791	S	S	*	*			cis	-138.8	169	-7.4	-82.5	-148.3	-56.2	0	0	111.5
3791	Y	25.3	Very low	32.5	Very low	220 Å²	220	151.3 Å²	151.3	86%	0.863	79%	0.79	S	S	*	*			trans	-63.5	149.4	169.9	-71.9	-114.1	0	0	0	113.2
3792	F	32.1	Very low	32.2	Very low	179 Å²	179	154.3 Å²	154.3	79%	0.785	79%	0.791	S	S	*	*			trans	-157.3	124	131.6	-116.1	-80.1	0	0	0	112.3
3793	E	30.8	Very low	32.2	Very low	163 Å²	163	151.4 Å²	151.4	76%	0.762	78%	0.783	S	S	*	*			trans	35.1	139.4	152.6	-65.1	171.9	167.6	0	0	124.6
3794	L	34.9	Very low	32	Very low	167 Å²	167	153.1 Å²	153.1	87%	0.874	78%	0.781	S	S	*	*			trans	-100.3	156.2	154.1	-64.6	83.9	0	0	0	108.5
3795	P	30.9	Very low	31.9	Very low	110 Å²	110	156.7 Å²	156.7	71%	0.714	78%	0.784	S	S	*	*				-149.7	160.2	100.2	38.6	-22.3	0	0	0	117.4
3796	D	31.7	Very low	31.4	Very low	151 Å²	151	155.8 Å²	155.8	81%	0.807	78%	0.781	S	S	*	*			trans	55.9	68.6	143.8	-57.7	-13	0	0	0	123
3797	S	30.4	Very low	31.5	Very low	108 Å²	108	155.9 Å²	155.9	76%	0.755	78%	0.781	S	S	*	*			trans	-159.1	129.8	132.2	32.4	0	0	0	0	110.1
3798	F	37.1	Very low	31.1	Very low	188 Å²	188	157.6 Å²	157.6	83%	0.825	78%	0.777	S	S	*	*				52.4	107.6	75	-67.6	-69.7	0	0	0	112.9
3799	Q	33.9	Very low	31	Very low	152 Å²	152	161.9 Å²	161.9	71%	0.71	79%	0.788	S	S	*	*			cis	-140.7	154.8	-10.8	-71	-163.6	41.8	0	0	106.2
3800	H	29.7	Very low	31.4	Very low	181 Å²	181	163.2 Å²	163.2	84%	0.838	78%	0.782	S	S	*	*				-133.8	141.9	53.5	-86.4	-96.5	0	0	0	115.3
3801	Y	32.6	Very low	31.6	Very low	212 Å²	212	162.8 Å²	162.8	83%	0.831	78%	0.778	S	S	*	*			trans	-90.7	160.5	165	-115.8	-107.4	0	0	0	111.4	S3803	Y3801-S3803 PolarHBondContact O-N 2.96Å
3802	R	27.3	Very low	32	Very low	223 Å²	223	160.3 Å²	160.3	84%	0.842	77%	0.774	S	S	*	*			trans	-45.2	125.4	174	-64.8	161.6	159	-176.5	-7.1	115.6	V3804	R3802-V3804 HydrophobicContact CB-CG2 4.1Å
3803	S	32.8	Very low	31.9	Very low	104 Å²	104	158.7 Å²	158.7	73%	0.727	77%	0.772	S	S	*	*			trans	-159.5	114.5	134.4	47.8	0	0	0	0	106.8	Y3801	Y3801-S3803 PolarHBondContact O-N 2.96Å
3804	V	30.8	Very low	31.6	Very low	101 Å²	101	156.2 Å²	156.2	61%	0.612	77%	0.773	S	S	*	*			cis	74.5	37.4	33.6	-156	0	0	0	0	113.9	R3802 Y3806	R3802-V3804 HydrophobicContact CB-CG2 4.1Å; V3804-Y3806 HydrophobicContact CG1-CE2 4.39Å
3805	F	28.3	Very low	31.3	Very low	185 Å²	185	157.2 Å²	157.2	81%	0.811	77%	0.77	S	S	*	*			trans	-127.2	128.7	140.7	-76.9	-81.3	0	0	0	105.6
3806	Y	26.9	Very low	31.3	Very low	206 Å²	206	156.4 Å²	156.4	81%	0.808	77%	0.773	S	S	*	*				55.8	104.2	55.5	-59.9	-68.7	0	0	0	109.7	V3804	V3804-Y3806 HydrophobicContact CG1-CE2 4.39Å
3807	S	31.3	Very low	31.4	Very low	98 Å²	98	155.7 Å²	155.7	69%	0.685	77%	0.768	S	S	*	*			cis	-120.5	167	26.6	58.5	0	0	0	0	111.9
3808	F	34.4	Very low	31.6	Very low	169 Å²	169	160.9 Å²	160.9	74%	0.741	77%	0.773	S	S	*	*				42.2	80.9	68.5	-88.4	-99.1	0	0	0	112.8	E3810	F3808-E3810 HydrophobicContact CD1-CB 4.41Å; F3808-E3810 PolarHBondContact O-N 3.5Å
3809	E	32	Very low	31.3	Very low	202 Å²	202	158.9 Å²	158.9	94%	0.944	77%	0.77	S	S	*	*			trans	-75.1	71.2	158	-67.8	176.3	125.6	0	0	108.5
3810	E	35.2	Very low	31.3	Very low	138 Å²	138	157.4 Å²	157.4	65%	0.645	77%	0.767	S	S	*	*			trans	-86.9	138.6	176.9	-162.4	155.2	-141.6	0	0	109.9	F3808 H3812	F3808-E3810 HydrophobicContact CD1-CB 4.41Å; F3808-E3810 PolarHBondContact O-N 3.5Å; E3810-H3812 PolarHBondContact O-N 3.44Å
3811	E	34.8	Very low	31.3	Very low	161 Å²	161	154.2 Å²	154.2	75%	0.752	76%	0.756	S	S	*	*			trans	-68.5	76.3	-160.6	-61.2	175.1	128.9	0	0	113.9
3812	H	34.4	Very low	31.3	Very low	169 Å²	169	154.2 Å²	154.2	78%	0.782	75%	0.754	S	S	*	*			trans	-116.7	103.4	175.6	-87.5	-73.7	0	0	0	114.7	E3810 S3814	E3810-H3812 PolarHBondContact O-N 3.44Å; H3812-S3814 PolarHBondContact O-N 2.7Å
3813	I	29.9	Very low	31.6	Very low	144 Å²	144	152.5 Å²	152.5	74%	0.738	75%	0.754	S	S	*	*			trans	-60.2	119.3	168.6	-61	159.1	0	0	0	109.5	F3815	I3813-F3815 HydrophobicContact CG2-CD2 3.61Å; I3813-F3815 HydrophobicContact CG2-CE2 3.59Å
3814	S	24.3	Very low	31.6	Very low	112 Å²	112	157.2 Å²	157.2	78%	0.783	76%	0.761	S	S	*	*			trans	-123.1	103.4	162	-78.9	0	0	0	0	109.4	H3812 A3816	H3812-S3814 PolarHBondContact O-N 2.7Å; S3814-A3816 PolarHBondContact O-N 3.14Å
3815	F	28.5	Very low	31.8	Very low	188 Å²	188	158.6 Å²	158.6	83%	0.825	77%	0.77	S	S	*	*			trans	-66.8	97.7	161.3	-74.3	-95.7	0	0	0	108.1	I3813	I3813-F3815 HydrophobicContact CG2-CD2 3.61Å; I3813-F3815 HydrophobicContact CG2-CE2 3.59Å
3816	A	31.9	Very low	32	Very low	93 Å²	93	157.6 Å²	157.6	77%	0.769	77%	0.772	S	S	*	*			trans	-93.2	109.6	164.1	0	0	0	0	0	107.4	S3814 Y3818	S3814-A3816 PolarHBondContact O-N 3.14Å; A3816-Y3818 PolarHBondContact O-N 3.06Å
3817	L	32.8	Very low	32.4	Very low	135 Å²	135	154.6 Å²	154.6	71%	0.707	78%	0.776	S	S	*	*			trans	-69.9	110.6	-177.1	-64	167.9	0	0	0	109.5	L3819	L3817-L3819 VanDerWaalsContact C-N 3.3Å; L3817-L3819 HydrophobicContact CB-CD2 4.3Å; L3817-L3819 HydrophobicContact CB-CG 4.12Å; L3817-L3819 PolarHBondContact O-N 3.11Å
3818	Y	34.5	Very low	32.3	Very low	218 Å²	218	156.6 Å²	156.6	86%	0.855	78%	0.783	S	S	*	*			trans	-75.6	92.8	160.4	-158	-83	0	0	0	107.5	A3816 D3820	A3816-Y3818 PolarHBondContact O-N 3.06Å; Y3818-D3820 HydrophobicContact CE1-CB 4.43Å; Y3818-D3820 PolarHBondContact O-N 2.81Å; Y3818-D3820 VanDerWaalsContact O-N 3.17Å
3819	L	31.5	Very low	32.2	Very low	146 Å²	146	155 Å²	155	76%	0.764	79%	0.788	S	S	*	*			trans	-74.8	99.5	179.5	-71.9	170.8	0	0	0	109.5	L3817	L3817-L3819 VanDerWaalsContact C-N 3.3Å; L3817-L3819 HydrophobicContact CB-CD2 4.3Å; L3817-L3819 HydrophobicContact CB-CG 4.12Å; L3817-L3819 PolarHBondContact O-N 3.11Å
3820	D	33.2	Very low	32.1	Very low	120 Å²	120	150.4 Å²	150.4	64%	0.642	78%	0.778	S	S	*	*			trans	-139.2	94.7	155.1	-139.6	-10.8	0	0	0	113.1	Y3818	Y3818-D3820 HydrophobicContact CE1-CB 4.43Å; Y3818-D3820 PolarHBondContact O-N 2.81Å; Y3818-D3820 VanDerWaalsContact O-N 3.17Å
3821	N	31	Very low	31.9	Very low	115 Å²	115	151.7 Å²	151.7	62%	0.615	79%	0.788	S	S	*	*			trans	17.4	115.9	135.5	-48.7	-68.8	0	0	0	117.1
3822	R	32.1	Very low	32	Very low	211 Å²	211	152.5 Å²	152.5	80%	0.796	79%	0.792	S	S	*	*	S	Bend	cis	-156.3	151.2	8.6	-68.6	136.4	-78.7	-159.8	-4	105.2
3823	F	34.1	Very low	31.8	Very low	188 Å²	188	151.2 Å²	151.2	83%	0.825	79%	0.79	S	S	*	*			cis	-137.6	141.3	9.5	-66.6	-112.1	0	0	0	108.9
3824	F	31.6	Very low	32.1	Very low	202 Å²	202	150.1 Å²	150.1	89%	0.886	79%	0.79	S	S	*	*			trans	-156.9	121.9	145.8	-118.9	-72.8	0	0	0	110.9
3825	T	35.1	Very low	32.4	Very low	130 Å²	130	153.1 Å²	153.1	80%	0.798	79%	0.789	S	S	*	*			trans	-82.5	117.2	-177.5	37.1	0	0	0	0	111.2
3826	L	32.7	Very low	32.8	Very low	164 Å²	164	152.3 Å²	152.3	86%	0.859	79%	0.788	S	S	*	*			trans	-113.5	96.1	171.6	-77	176.3	0	0	0	110.9
3827	T	34.1	Very low	32.6	Very low	143 Å²	143	155.2 Å²	155.2	88%	0.877	79%	0.787	S	S	*	*			trans	-142.2	139.2	159.5	22.2	0	0	0	0	110.7
3828	V	30.3	Very low	32.8	Very low	140 Å²	140	155.5 Å²	155.5	85%	0.848	79%	0.789	S	S	*	*			trans	-89.5	150.1	-172.3	175.6	0	0	0	0	111.5	S3830	V3828-S3830 PolarHBondContact O-N 3.01Å
3829	T	31.9	Very low	32.7	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	78%	0.781	S	S	*	*			trans	-58.6	118.4	179.1	41.5	0	0	0	0	114.5
3830	S	30.5	Very low	33.1	Very low	105 Å²	105	150.8 Å²	150.8	73%	0.734	78%	0.782	S	S	*	*			trans	-166.5	95.8	156.9	-179	0	0	0	0	115.8	V3828	V3828-S3830 PolarHBondContact O-N 3.01Å
3831	L	30	Very low	32.9	Very low	165 Å²	165	154 Å²	154	86%	0.864	79%	0.79	S	S	*	*			trans	34.5	89.1	132.7	-62	167.4	0	0	0	120.7
3832	H	36.6	Very low	33.4	Very low	179 Å²	179	154 Å²	154	83%	0.829	80%	0.796	S	S	*	*			trans	-167.9	126.7	131.9	-123.9	-86.7	0	0	0	108.3
3833	L	31.1	Very low	33.7	Very low	141 Å²	141	156.5 Å²	156.5	74%	0.738	82%	0.817	S	S	*	*			cis	72.2	58.3	43.8	-105.3	174.1	0	0	0	116	F3835	L3833-F3835 HydrophobicContact CD2-CD2 4.32Å
3834	V	37.4	Very low	33.6	Very low	122 Å²	122	154.9 Å²	154.9	74%	0.739	82%	0.817	S	S	*	*			trans	-152.2	124	144.7	-177	0	0	0	0	105.2
3835	F	30.4	Very low	33.7	Very low	174 Å²	174	152.4 Å²	152.4	76%	0.763	81%	0.813	S	S	*	*			cis	77.9	64.4	37.8	-94.4	-69.5	0	0	0	117.4	L3833	L3833-F3835 HydrophobicContact CD2-CD2 4.32Å
3836	Q	35.8	Very low	33.7	Very low	172 Å²	172	153.7 Å²	153.7	80%	0.804	81%	0.814	S	S	*	*			trans	-154.9	122.6	149.1	-108.1	159.4	-41.4	0	0	107.7
3837	M	27.9	Very low	33.7	Very low	153 Å²	153	153.1 Å²	153.1	75%	0.754	81%	0.811	S	S	*	*			cis	70.1	80.9	33.4	-88	-81.4	-68.6	0	0	114.7
3838	L	37	Very low	33.7	Very low	141 Å²	141	153.7 Å²	153.7	74%	0.738	81%	0.807	S	S	*	*			trans	176.3	113.8	161.8	-91.8	152.9	0	0	0	103.5	I3840	L3838-I3840 HydrophobicContact CD2-CD1 3.97Å
3839	V	32.2	Very low	33.9	Very low	113 Å²	113	154.6 Å²	154.6	69%	0.685	80%	0.804	S	S	*	*			cis	58.7	91.7	19.4	-170.9	0	0	0	0	113.6
3840	I	39.5	Very low	34.1	Very low	153 Å²	153	155.9 Å²	155.9	79%	0.785	80%	0.802	S	S	*	*			trans	-160	129.1	145.2	-102.5	154	0	0	0	108.1	L3838	L3838-I3840 HydrophobicContact CD2-CD1 3.97Å
3841	F	30.2	Very low	34.3	Very low	186 Å²	186	159.8 Å²	159.8	82%	0.816	81%	0.807	S	S	*	*			trans	-88	-178.8	168.6	-77	-105	0	0	0	109.2
3842	P	41.4	Very low	34.7	Very low	116 Å²	116	159.4 Å²	159.4	75%	0.753	80%	0.803	S	S	*	*			cis	-129.1	175.7	-45.4	36.4	-22.5	0	0	0	111.4
3843	Q	36.9	Very low	34.5	Very low	263 Å²	263	157.6 Å²	157.6	100%	1.229	80%	0.8	S	S	*	*			trans	-147.7	0	136.9	-168.7	157.9	-7.7	0	0	110.3

Retrieved 3,843 of 3,843 residues in 1511.2 ms (Link to these results)

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