A0A087WY36_HUMAN Loading...

A-kinase anchor protein 13

AlphaFold DB , UniProt , Accession A0A087WY36, Species HUMAN (Homo sapiens, Human), Gene AKAP13, Length 967 aa.

						>A0A087WY36_HUMAN|A0A087WY36|AKAP13
MYERHKRRYSLCDISKVDRTVDVVLLKINRENWCTIEPCPDAASLLASKQSPECENFLDVGLGRECTSKQGVLKRESGSDSDLFHSPSDDMDSIIFPKPEEEHLACDITGSSSSTDDTASLDRHSSHGSDVSLSQILKPNRSRDRQSLDGFYSHGMGAEGRESESEPADPGDVEEEEMDSITEVPANCSVLRSSMRSLSPFRRHSWGPGKNAASDAEMNHRSFSLEGLTGGAGVGNKPSSSLEVSSANAEELRHPFSGEERVDSLVSLSEEDLESDQREHRMFDQQICHRSKQQGFNYCTSAISSPLTKSISLMTISHPGLDNSRPFHSTFHNTSANLTESITEENYNFLPHSPSKKDSEWKSGTKVSRTFSYIKNKMSSSKKSKEKEKEKDKIKEKEKDSKDKEKDKKTVNGHTFSSIPVVGPISCSQCMKPFTNKDAYTCANCSAFVHKGCRESLASCAKVKMKPKGSLQAHDTSSLPTVIMRNKPSQPKERPRSAVLLVDETATTPIFANRRSQQSVSLSKSVSIQNITGVGNDENMSNTWKFLSHSTDSLNKISKVNESTESLTDEGVGTDMNEGQLLGDFEIESKQLEAESWSRIIDSKFLKQQKKDVVKRQEVIYELMQTEFHHVRTLKIMSGVYSQGMMADLLFEQQMVEKLFPCLDELISIHSQFFQRILERKKESLVDKSEKNFLIKRIGDVLVNQFSGENAERLKKTYGKFCGQHNQSVNYFKDLYAKDKRFQAFVKKKMSSSVVRRLGIPECILLVTQRITKYPVLFQRILQCTKDNEVEQEDLAQSLSLVKDVIGAVDSKVASYEKKVRLNEIYTKTDSKSIMRMKSGQMFAKEDLKRKKLVRDGSVFLKNAAGRLKEVQAVLLTDILVFLQEKDQKYIFASLDQKSTVISLKKLIVREVAHEEKGLFLISMGMTDPEMVEVHASSKEERNSWIQIIQDTINTLNRDEDEGIPSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	29.8	Very low	225 Å²	225	171.9 Å²	171.9	100%	1.108	76%	0.758	S	S	*	*				0	-7.2	0	-63.3	-169.5	-172.4	0	0	115.1	E3 R4	M1-E3 PolarHBondContact O-N 3.09Å; M1-R4 PolarHBondContact O-N 3.31Å; M1-R4 VanDerWaalsContact O-N 3.12Å
2	Y	25.2	Very low	29.8	Very low	222 Å²	222	166.1 Å²	166.1	87%	0.871	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	-44	-166.9	-152.5	-117.8	0	0	0	116	R4 H5	Y2-R4 PolarHBondContact O-N 3.34Å; Y2-R4 VanDerWaalsContact O-N 3.12Å; Y2-H5 PolarHBondContact O-N 2.92Å
3	E	26.9	Very low	29.6	Very low	118 Å²	118	162 Å²	162	55%	0.551	74%	0.741	S	S	*	*	H	α-helix	trans	-56.3	-30.3	178.9	-85.9	-136.2	120.8	0	0	114.9	M1 H5 K6 R7	M1-E3 PolarHBondContact O-N 3.09Å; E3-H5 PolarHBondContact O-N 2.74Å; E3-K6 PolarHBondContact O-N 3.05Å; E3-R7 PolarHBondContact O-N 3.09Å; E3-R7 IonicContact OE1-CZ 3.92Å; E3-R7 IonicContact OE1-NH1 2.8Å; E3-R7 IonicContact OE1-NH2 2.8Å; E3-R7 PolarHBondContact OE1-NH2 3.04Å; E3-R7 IonicContact OE2-CZ 3.94Å; E3-R7 IonicContact OE2-NH1 2.7Å; E3-R7 PolarHBondContact OE2-NH1 2.69Å; E3-R7 IonicContact OE2-NH2 2.89Å; E3-R7 PolarHBondContact OE2-NH2 2.68Å
4	R	27.4	Very low	29.8	Very low	214 Å²	214	159.4 Å²	159.4	81%	0.808	73%	0.734	S	S	*	*	H	α-helix	trans	-72.1	-19.3	-172.6	-127	175	-172.2	160.9	3.1	112.9	M1 Y2	M1-R4 PolarHBondContact O-N 3.31Å; M1-R4 VanDerWaalsContact O-N 3.12Å; Y2-R4 PolarHBondContact O-N 3.34Å; Y2-R4 VanDerWaalsContact O-N 3.12Å
5	H	32.8	Very low	29.8	Very low	126 Å²	126	154.6 Å²	154.6	58%	0.583	73%	0.726	S	S	*	*	H	α-helix	trans	-82	-41.7	170.4	-106.5	102.3	0	0	0	112.2	Y2 E3 R7 R8	Y2-H5 PolarHBondContact O-N 2.92Å; E3-H5 PolarHBondContact O-N 2.74Å; H5-R7 PolarHBondContact O-N 2.74Å; H5-R8 PolarHBondContact O-N 3.16Å
6	K	30.2	Very low	29.7	Very low	168 Å²	168	155.9 Å²	155.9	73%	0.73	73%	0.728	S	S	*	*	H	α-helix	trans	-58.5	-33.6	-178.7	-158.8	170.2	-174.2	175.9	0	112.5	E3 R8 S10	E3-K6 PolarHBondContact O-N 3.05Å; K6-R8 VanDerWaalsContact C-N 3.33Å; K6-R8 PolarHBondContact O-N 3.16Å; K6-S10 PolarHBondContact O-N 3.26Å
7	R	27.1	Very low	29.6	Very low	173 Å²	173	153.1 Å²	153.1	65%	0.653	72%	0.723	S	S	*	*	H	α-helix	trans	-75.6	-6.4	176.1	-65.6	-169.7	179.9	96.5	12.6	115.7	E3 H5	E3-R7 PolarHBondContact O-N 3.09Å; E3-R7 IonicContact OE1-CZ 3.92Å; E3-R7 IonicContact OE1-NH1 2.8Å; E3-R7 IonicContact OE1-NH2 2.8Å; E3-R7 PolarHBondContact OE1-NH2 3.04Å; E3-R7 IonicContact OE2-CZ 3.94Å; E3-R7 IonicContact OE2-NH1 2.7Å; E3-R7 PolarHBondContact OE2-NH1 2.69Å; E3-R7 IonicContact OE2-NH2 2.89Å; E3-R7 PolarHBondContact OE2-NH2 2.68Å; H5-R7 PolarHBondContact O-N 2.74Å
8	R	32.4	Very low	29.5	Very low	189 Å²	189	153.8 Å²	153.8	71%	0.713	73%	0.733	S	S	*	*	H	α-helix	trans	-90.8	-25.9	174.3	-72.2	-173.3	-179.3	168.7	-0.9	114.2	H5 K6	H5-R8 PolarHBondContact O-N 3.16Å; K6-R8 VanDerWaalsContact C-N 3.33Å; K6-R8 PolarHBondContact O-N 3.16Å
9	Y	35.5	Very low	29.5	Very low	191 Å²	191	156.9 Å²	156.9	75%	0.749	74%	0.737	S	S	*	*	H	α-helix	trans	-117.3	9.5	-175	-70.8	-73.6	0	0	0	114.3	L11	Y9-L11 PolarHBondContact O-N 2.85Å
10	S	25.6	Very low	29.5	Very low	104 Å²	104	155 Å²	155	73%	0.727	74%	0.736	S	S	*	*			trans	-77.5	42.5	173.7	-172.6	0	0	0	0	113.1	K6	K6-S10 PolarHBondContact O-N 3.26Å
11	L	28	Very low	29.7	Very low	161 Å²	161	151.7 Å²	151.7	84%	0.843	73%	0.725	S	S	*	*			trans	-131.3	29.2	180	-129.8	171.5	0	0	0	112.9	Y9	Y9-L11 PolarHBondContact O-N 2.85Å
12	C	29.7	Very low	29.5	Very low	102 Å²	102	147 Å²	147	69%	0.689	71%	0.705	S	S	*	*			trans	-115.3	52.7	165.4	-73.8	0	0	0	0	110.6	I14	C12-I14 HydrophobicContact CB-CD1 4.1Å; C12-I14 HydrophobicContact CB-CG1 4.12Å; C12-I14 PolarHBondContact O-N 3.4Å
13	D	27.2	Very low	30	Very low	113 Å²	113	138.2 Å²	138.2	60%	0.604	67%	0.674	S	S	*	*			trans	-75.4	75.6	161	-170.7	-1.3	0	0	0	108.3	S15	D13-S15 PolarHBondContact O-N 2.92Å; D13-S15 WeakPolarHBondContact OD1-CB 3.34Å; D13-S15 PolarHBondContact OD1-OG 2.9Å
14	I	33.2	Very low	30.5	Very low	126 Å²	126	136.4 Å²	136.4	65%	0.646	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-67.5	-6.9	-172.4	-68.4	168.7	0	0	0	111.8	C12 K16 V17	C12-I14 HydrophobicContact CB-CD1 4.1Å; C12-I14 HydrophobicContact CB-CG1 4.12Å; C12-I14 PolarHBondContact O-N 3.4Å; I14-K16 PolarHBondContact O-N 3.2Å; I14-V17 PolarHBondContact O-N 2.71Å
15	S	29.6	Very low	30.7	Very low	87 Å²	87	127 Å²	127	61%	0.608	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-58.5	-10	175.6	72.4	0	0	0	0	115.5	D13	D13-S15 PolarHBondContact O-N 2.92Å; D13-S15 WeakPolarHBondContact OD1-CB 3.34Å; D13-S15 PolarHBondContact OD1-OG 2.9Å
16	K	28.8	Very low	31	Very low	176 Å²	176	125.5 Å²	125.5	77%	0.765	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-135.6	12.4	-174.2	-71.6	177.6	-176.8	161.6	0	116	I14 D18	I14-K16 PolarHBondContact O-N 3.2Å; K16-D18 PolarHBondContact O-N 3.37Å
17	V	28.3	Very low	31.1	Very low	107 Å²	107	127 Å²	127	65%	0.648	64%	0.639	S	S	*	*			trans	-100.7	62.4	173.3	-166.9	0	0	0	0	110.1	I14 R19	I14-V17 PolarHBondContact O-N 2.71Å; V17-R19 HydrophobicContact CG1-CB 4.5Å; V17-R19 PolarHBondContact O-N 3.03Å
18	D	27.6	Very low	31.4	Very low	167 Å²	167	123.2 Å²	123.2	89%	0.893	63%	0.631	S	S	*	*			trans	-79.7	76	168.4	-167.8	24	0	0	0	108.9	K16	K16-D18 PolarHBondContact O-N 3.37Å
19	R	29.5	Very low	31.3	Very low	213 Å²	213	118.7 Å²	118.7	80%	0.804	62%	0.621	S	S	*	*			trans	-135.5	133	172.4	-73.2	-172.3	176.2	178.3	-1.3	108	V17 V21	V17-R19 HydrophobicContact CG1-CB 4.5Å; V17-R19 PolarHBondContact O-N 3.03Å; R19-V21 PolarHBondContact O-N 2.89Å
20	T	29.1	Very low	31.3	Very low	117 Å²	117	118.6 Å²	118.6	72%	0.718	62%	0.619	S	S	*	*			trans	-51.4	134.1	173	43.9	0	0	0	0	110.1	D22	T20-D22 PolarHBondContact O-N 3.49Å; T20-D22 PolarHBondContact OG1-OD1 3.09Å
21	V	33.7	Very low	31.4	Very low	86 Å²	86	122.1 Å²	122.1	52%	0.521	62%	0.624	S	S	.	*			trans	-75.1	83.1	159.8	-179.1	0	0	0	0	105.4	R19 V23	R19-V21 PolarHBondContact O-N 2.89Å; V21-V23 PolarHBondContact O-N 3.15Å
22	D	31.6	Very low	31.4	Very low	128 Å²	128	120.5 Å²	120.5	68%	0.684	62%	0.616	S	S	*	*			trans	-52.4	114.2	165.2	-69.5	-2.5	0	0	0	106.2	T20 V24	T20-D22 PolarHBondContact O-N 3.49Å; T20-D22 PolarHBondContact OG1-OD1 3.09Å; D22-V24 PolarHBondContact O-N 2.92Å
23	V	36.8	Very low	31.7	Very low	36 Å²	36	123.8 Å²	123.8	22%	0.218	61%	0.614	C	S	.	*			trans	-61.1	126	-163.2	-175.7	0	0	0	0	109.2	V21 L25 V813	V21-V23 PolarHBondContact O-N 3.15Å; V23-L25 HydrophobicContact CG1-CB 4.18Å; V23-L25 HydrophobicContact CG1-CD1 4.03Å; V23-L25 HydrophobicContact CG1-CG 4.3Å; V23-L25 PolarHBondContact O-N 2.86Å; V23-V813 HydrophobicContact CG2-CG1 4.42Å
24	V	35.9	Very low	31.6	Very low	81 Å²	81	124 Å²	124	49%	0.491	62%	0.624	S	S	.	*			trans	-79.2	35.7	-179.4	-161.4	0	0	0	0	111.5	D22 L26	D22-V24 PolarHBondContact O-N 2.92Å; V24-L26 HydrophobicContact CG1-CD2 4.25Å; V24-L26 PolarHBondContact O-N 2.83Å
25	L	33	Very low	31.2	Very low	16 Å²	16	124.2 Å²	124.2	8%	0.084	63%	0.631	C	S	.	*	S	Bend	trans	-69.1	104.6	149.1	-92.9	156.6	0	0	0	105.3	V23 K27 C722 I771 T772 I806 V809 V813	V23-L25 HydrophobicContact CG1-CB 4.18Å; V23-L25 HydrophobicContact CG1-CD1 4.03Å; V23-L25 HydrophobicContact CG1-CG 4.3Å; V23-L25 PolarHBondContact O-N 2.86Å; L25-K27 PolarHBondContact O-N 3.12Å; L25-C722 HydrophobicContact CD1-CB 4.35Å; L25-I771 HydrophobicContact CD2-CG2 4.34Å; L25-T772 HydrophobicContact CD2-CG2 3.93Å; L25-I806 HydrophobicContact CD2-CG2 4.2Å; L25-V809 HydrophobicContact CD1-CG1 4.35Å; L25-V813 HydrophobicContact CD1-CG2 3.89Å
26	L	38.1	Very low	31.1	Very low	94 Å²	94	127.7 Å²	127.7	49%	0.492	64%	0.641	S	S	.	*			trans	-61	132.6	-160.9	-80.7	163.3	0	0	0	112.5	V24 I28	V24-L26 HydrophobicContact CG1-CD2 4.25Å; V24-L26 PolarHBondContact O-N 2.83Å; L26-I28 HydrophobicContact CB-CD1 4.16Å; L26-I28 HydrophobicContact CB-CG1 3.54Å; L26-I28 PolarHBondContact O-N 3.29Å
27	K	33.4	Very low	30.9	Very low	199 Å²	199	127.1 Å²	127.1	87%	0.865	64%	0.641	S	S	*	*			trans	-67.5	64.9	162.4	-170.1	172.5	-178.8	172.6	0	110.3	L25 N29	L25-K27 PolarHBondContact O-N 3.12Å; K27-N29 PolarHBondContact O-N 2.85Å; K27-N29 VanDerWaalsContact O-N 3.16Å
28	I	33.3	Very low	30.8	Very low	95 Å²	95	127.7 Å²	127.7	49%	0.487	65%	0.647	S	S	.	*			trans	-70.1	107.2	-178.9	-59.3	-179.9	0	0	0	108.6	L26 R30	L26-I28 HydrophobicContact CB-CD1 4.16Å; L26-I28 HydrophobicContact CB-CG1 3.54Å; L26-I28 PolarHBondContact O-N 3.29Å; I28-R30 PolarHBondContact O-N 3.45Å
29	N	29.9	Very low	30.6	Very low	94 Å²	94	124.6 Å²	124.6	50%	0.503	64%	0.637	S	S	.	*			trans	17.2	82.4	168.7	-84.3	4.3	0	0	0	116.7	K27 E31 N32 W33	K27-N29 PolarHBondContact O-N 2.85Å; K27-N29 VanDerWaalsContact O-N 3.16Å; N29-E31 PolarHBondContact O-N 3.32Å; N29-N32 HydrophobicContact CB-CB 4.46Å; N29-W33 VanDerWaalsContact O-CD1 3.27Å; N29-W33 PolarHBondContact O-NE1 2.96Å
30	R	35	Very low	30.7	Very low	188 Å²	188	120.3 Å²	120.3	71%	0.709	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-71.9	-11.8	159.4	-163.2	165.3	-166.1	-168.5	2.8	112.8	I28 W33	I28-R30 PolarHBondContact O-N 3.45Å; R30-W33 HydrophobicContact CB-CZ2 4.26Å; R30-W33 HydrophobicContact CG-CD2 3.91Å; R30-W33 HydrophobicContact CG-CE3 3.84Å; R30-W33 HydrophobicContact CG-CH2 3.81Å; R30-W33 HydrophobicContact CG-CZ2 3.84Å; R30-W33 HydrophobicContact CG-CZ3 3.81Å; R30-W33 VanDerWaalsContact NE-CZ3 3.33Å
31	E	28.7	Very low	30.7	Very low	179 Å²	179	121.8 Å²	121.8	84%	0.836	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-93.1	0.1	-170.4	-63.9	175.7	-169.3	0	0	113.7	N29	N29-E31 PolarHBondContact O-N 3.32Å
32	N	27.9	Very low	30.6	Very low	126 Å²	126	122.5 Å²	122.5	67%	0.674	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-112.8	15.4	176	-135.7	108.8	0	0	0	112.8	N29 C34	N29-N32 HydrophobicContact CB-CB 4.46Å; N32-C34 PolarHBondContact O-N 3.15Å
33	W	35	Very low	30.5	Very low	171 Å²	171	121 Å²	121	65%	0.648	66%	0.661	S	S	*	*			trans	-83	96.4	-179.9	-63.8	7	0	0	0	109.8	N29 R30	N29-W33 VanDerWaalsContact O-CD1 3.27Å; N29-W33 PolarHBondContact O-NE1 2.96Å; R30-W33 HydrophobicContact CB-CZ2 4.26Å; R30-W33 HydrophobicContact CG-CD2 3.91Å; R30-W33 HydrophobicContact CG-CE3 3.84Å; R30-W33 HydrophobicContact CG-CH2 3.81Å; R30-W33 HydrophobicContact CG-CZ2 3.84Å; R30-W33 HydrophobicContact CG-CZ3 3.81Å; R30-W33 VanDerWaalsContact NE-CZ3 3.33Å
34	C	25.2	Very low	30.2	Very low	119 Å²	119	124.7 Å²	124.7	80%	0.804	69%	0.688	S	S	*	*			trans	-76.8	127.4	156.2	-67.2	0	0	0	0	107.8	N32 I36	N32-C34 PolarHBondContact O-N 3.15Å; C34-I36 PolarHBondContact O-N 3.34Å
35	T	25.3	Very low	30	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	71%	0.707	S	S	*	*			trans	-62.6	119.3	163.8	-0.6	0	0	0	0	108	E37	T35-E37 PolarHBondContact O-N 3.12Å
36	I	26.2	Very low	29.9	Very low	161 Å²	161	136.9 Å²	136.9	83%	0.826	75%	0.749	S	S	*	*			trans	-78	108.8	152.5	-60.4	177	0	0	0	104.2	C34	C34-I36 PolarHBondContact O-N 3.34Å
37	E	25	Very low	29.3	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.762	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.5	136	169.9	-67.6	-172.5	143.9	0	0	108.7	T35 C39	T35-E37 PolarHBondContact O-N 3.12Å; E37-C39 PolarHBondContact O-N 3.06Å
38	P	26.5	Very low	29.2	Very low	119 Å²	119	133 Å²	133	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.1	169.3	28.1	-32.6	0	0	0	108.6
39	C	24.1	Very low	28.8	Very low	102 Å²	102	138.1 Å²	138.1	69%	0.689	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.1	177.3	-170.1	0	0	0	0	109.5	E37 D41	E37-C39 PolarHBondContact O-N 3.06Å; C39-D41 PolarHBondContact O-N 3Å
40	P	30.8	Very low	28.6	Very low	123 Å²	123	142 Å²	142	80%	0.799	79%	0.794	S	S	*	*	S	Bend	trans	-81.8	43.1	-170	34.8	-38	0	0	0	113.7
41	D	30.4	Very low	28	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	80%	0.798	S	S	*	*			trans	-133.2	55.6	-179.6	-92.4	-48.9	0	0	0	111.7	C39	C39-D41 PolarHBondContact O-N 3Å
42	A	30.5	Very low	28.4	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	79%	0.79	S	S	*	*			trans	-140.5	11.3	172.9	0	0	0	0	0	114
43	A	29	Very low	28.2	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	80%	0.798	S	S	*	*			trans	-113.9	43.2	-173.9	0	0	0	0	0	113
44	S	31	Very low	27.7	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	81%	0.809	S	S	*	*			trans	-142	27.3	-176.1	-71.3	0	0	0	0	114.8
45	L	32	Very low	27.7	Very low	168 Å²	168	137.3 Å²	137.3	88%	0.88	81%	0.806	S	S	*	*	S	Bend	trans	-132.6	148.8	164.4	-71	176.2	0	0	0	109.5
46	L	31.1	Very low	27.8	Very low	185 Å²	185	136.8 Å²	136.8	97%	0.969	80%	0.798	S	S	*	*			trans	67.3	51.1	-174.2	-52.4	-179	0	0	0	115.9
47	A	24.6	Very low	27.7	Very low	95 Å²	95	138.6 Å²	138.6	79%	0.785	80%	0.801	S	S	*	*			trans	-106.8	127.1	150.2	0	0	0	0	0	109.1
48	S	32.4	Very low	27.9	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	80%	0.8	S	S	*	*			trans	-68.8	135.5	-178.5	-174.7	0	0	0	0	111.8
49	K	24.6	Very low	27.8	Very low	202 Å²	202	138.5 Å²	138.5	88%	0.878	80%	0.798	S	S	*	*			trans	-130	131.8	165.2	-78.8	-170.6	173.8	-176.4	0	109.5
50	Q	25.9	Very low	28	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	80%	0.801	S	S	*	*			trans	-94.3	172.2	174	-69.8	178.6	-38.2	0	0	111.4
51	S	22.1	Very low	27.7	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	79%	0.791	S	S	*	*			trans	75	156.8	168	79.9	0	0	0	0	117.4
52	P	35.8	Very low	27.7	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	80%	0.799	S	S	*	*			cis	-129.6	168.8	-11.1	22.2	1.6	0	0	0	115.7
53	E	24	Very low	27.5	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	79%	0.793	S	S	*	*			trans	38.1	116.2	141.3	-62.4	166	175.9	0	0	122.4
54	C	25.2	Very low	27.4	Very low	129 Å²	129	143 Å²	143	87%	0.872	80%	0.796	S	S	*	*				-172.7	119.7	119.2	-88.3	0	0	0	0	107.9
55	E	25.5	Very low	27.1	Very low	159 Å²	159	146.4 Å²	146.4	74%	0.743	80%	0.8	S	S	*	*				72.4	118.9	57.2	-84.6	-80.8	130.5	0	0	115.2
56	N	27.6	Very low	26.8	Very low	119 Å²	119	143.3 Å²	143.3	64%	0.636	79%	0.791	S	S	*	*			trans	68.6	126.5	171.5	-55.9	-74.9	0	0	0	116.3
57	F	24.2	Very low	26.6	Very low	199 Å²	199	139.7 Å²	139.7	87%	0.873	78%	0.776	S	S	*	*				-139.6	169.1	64	-103.8	-94.3	0	0	0	116.5
58	L	28.9	Very low	26.7	Very low	142 Å²	142	141 Å²	141	74%	0.743	78%	0.78	S	S	*	*			trans	-66.1	175.9	179.7	-45.3	166.6	0	0	0	112.8
59	D	25.1	Very low	26.5	Very low	137 Å²	137	143.9 Å²	143.9	73%	0.733	78%	0.778	S	S	*	*			cis	-162	171.6	15.2	-163.9	7.1	0	0	0	111
60	V	28.1	Very low	26.6	Very low	126 Å²	126	143.8 Å²	143.8	76%	0.764	78%	0.781	S	S	*	*			trans	62.6	135.7	166.8	-166	0	0	0	0	115.5
61	G	24.7	Very low	26.5	Very low	56 Å²	56	138.6 Å²	138.6	58%	0.577	77%	0.774	S	S	*	*			cis	128	145.6	10.6	0	0	0	0	0	109.6
62	L	29.3	Very low	26.7	Very low	186 Å²	186	139.4 Å²	139.4	97%	0.974	77%	0.774	S	S	*	*			trans	70	143.6	-161.7	-46.7	174.4	0	0	0	113.8
63	G	25.6	Very low	26.3	Very low	67 Å²	67	141.4 Å²	141.4	69%	0.691	78%	0.778	S	S	*	*			cis	156.1	73.5	-7.4	0	0	0	0	0	115.1
64	R	28.5	Very low	26.4	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	78%	0.776	S	S	*	*			trans	45.4	107.8	152.8	-176.4	-160	-160.6	-100.3	5.5	117.1
65	E	24.4	Very low	26.5	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	77%	0.77	S	S	*	*			trans	-148	157.8	133.2	-145.3	145	-129.3	0	0	114.5
66	C	25.9	Very low	26.5	Very low	103 Å²	103	144.1 Å²	144.1	70%	0.696	77%	0.767	S	S	*	*			trans	-148.7	144.9	-179.8	-174.2	0	0	0	0	108.5
67	T	26.9	Very low	26.5	Very low	109 Å²	109	143.8 Å²	143.8	67%	0.669	77%	0.774	S	S	*	*			trans	67.8	128.6	-177.1	77.6	0	0	0	0	115.9
68	S	25.9	Very low	26.6	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	77%	0.769	S	S	*	*			trans	-114.6	149.5	148.4	61.1	0	0	0	0	108
69	K	28.4	Very low	26.6	Very low	177 Å²	177	136.3 Å²	136.3	77%	0.77	77%	0.77	S	S	*	*			trans	-132.5	133.8	-171.6	-69.8	-178.9	-179	175.9	0	112.4
70	Q	25.9	Very low	26.7	Very low	200 Å²	200	136.3 Å²	136.3	94%	0.935	77%	0.77	S	S	*	*			trans	23.1	118.9	131.3	-165.8	177.2	27.3	0	0	119.6
71	G	24.6	Very low	26.8	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	77%	0.772	S	S	*	*			trans	164.7	139.2	167	0	0	0	0	0	107.3
72	V	25.4	Very low	27	Very low	131 Å²	131	139 Å²	139	79%	0.794	78%	0.776	S	S	*	*			cis	-142.2	120.8	27	171.9	0	0	0	0	106.4
73	L	27.5	Very low	27	Very low	143 Å²	143	138.4 Å²	138.4	75%	0.749	77%	0.773	S	S	*	*				57.1	135.3	91.3	-61.8	173	0	0	0	114.2
74	K	27.3	Very low	26.9	Very low	184 Å²	184	142.9 Å²	142.9	80%	0.8	77%	0.774	S	S	*	*			cis	-169.3	179.1	-2.9	-145.9	-179.5	-173.2	-179.6	0	109.7
75	R	27.9	Very low	26.7	Very low	195 Å²	195	139.3 Å²	139.3	74%	0.736	77%	0.767	S	S	*	*			trans	85.9	123.1	167.3	-62.7	-163.4	137.1	131.2	-2.1	116.5
76	E	24.3	Very low	27.2	Very low	146 Å²	146	135 Å²	135	68%	0.682	76%	0.757	S	S	*	*				75.5	147.3	86.6	-62.8	156.7	-157.8	0	0	112.9
77	S	27.6	Very low	28.1	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	76%	0.759	S	S	*	*			cis	-176.3	126.7	-26	-91.7	0	0	0	0	109.3
78	G	25.8	Very low	28	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	76%	0.757	S	S	*	*			trans	76	154.1	152.1	0	0	0	0	0	120.2
79	S	29.3	Very low	28.3	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	75%	0.752	S	S	*	*			trans	59.3	162.2	161.7	-66.4	0	0	0	0	119.8
80	D	26.9	Very low	28.5	Very low	137 Å²	137	134.1 Å²	134.1	73%	0.733	75%	0.753	S	S	*	*			cis	-171.4	145.9	-39.1	-94.7	-42.9	0	0	0	105.8
81	S	30.4	Very low	29	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	75%	0.748	S	S	*	*			trans	-160.2	93.3	160.6	62.2	0	0	0	0	110.5
82	D	28.3	Very low	29.5	Very low	124 Å²	124	136.1 Å²	136.1	66%	0.663	75%	0.751	S	S	*	*			trans	-56.7	153.7	165.9	-58.6	-86.6	0	0	0	111.6
83	L	29.7	Very low	29.5	Very low	172 Å²	172	134.4 Å²	134.4	90%	0.901	75%	0.745	S	S	*	*				-175.2	169.7	106.2	-94	166.4	0	0	0	111.8
84	F	24.8	Very low	29.9	Very low	161 Å²	161	134.8 Å²	134.8	71%	0.706	75%	0.746	S	S	*	*			trans	-116.3	163.9	-155.4	-87.2	-102.5	0	0	0	115.3
85	H	24.1	Very low	29.8	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.727	75%	0.745	S	S	*	*			trans	70	113.9	147.7	-75.3	-55.5	0	0	0	122.2
86	S	33.6	Very low	30	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	75%	0.748	S	S	*	*				19.6	146.7	112.4	58.1	0	0	0	0	119.6
87	P	45.2	Very low	30.9	Very low	116 Å²	116	131.8 Å²	131.8	75%	0.753	76%	0.755	S	S	*	*				-158.6	-162.7	58.7	44.7	-22.4	0	0	0	118.6
88	S	24.8	Very low	31	Very low	88 Å²	88	133.8 Å²	133.8	62%	0.615	75%	0.749	S	S	*	*			trans	83.9	110.4	143.1	66	0	0	0	0	123.5
89	D	31.7	Very low	31.8	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	75%	0.749	S	S	*	*				68.5	108.9	112.2	-48	-12.2	0	0	0	122.8
90	D	34	Very low	31.7	Very low	146 Å²	146	137.8 Å²	137.8	78%	0.781	75%	0.746	S	S	*	*				56.3	160.6	114.9	-75.9	-7.4	0	0	0	125.1
91	M	35.1	Very low	31.8	Very low	169 Å²	169	141 Å²	141	83%	0.833	76%	0.757	S	S	*	*			trans	87.4	153	163.9	-59	-66	161.3	0	0	119.4
92	D	34.8	Very low	31.7	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	76%	0.755	S	S	*	*				-177.2	150.6	-63.7	-166	-2	0	0	0	107.1
93	S	27.1	Very low	31.8	Very low	95 Å²	95	145.1 Å²	145.1	66%	0.664	76%	0.759	S	S	*	*			trans	-166.9	106.1	161.7	65.3	0	0	0	0	114.8
94	I	34.8	Very low	31.7	Very low	152 Å²	152	144.4 Å²	144.4	78%	0.779	76%	0.755	S	S	*	*				67.4	128.4	111.9	-70.1	162.8	0	0	0	117.3
95	I	26.1	Very low	31.9	Very low	152 Å²	152	140.5 Å²	140.5	78%	0.779	75%	0.752	S	S	*	*			cis	-154.7	173.8	12.3	-130.8	173.1	0	0	0	114.6
96	F	31.2	Very low	32.2	Very low	184 Å²	184	139 Å²	139	81%	0.807	76%	0.758	S	S	*	*			trans	-74.1	177.4	-177.5	-88.8	-94.7	0	0	0	116.1
97	P	43.6	Very low	32	Very low	125 Å²	125	142 Å²	142	81%	0.812	77%	0.767	S	S	*	*			cis	-146.5	179.5	32	43.7	-21.7	0	0	0	121.7
98	K	28.9	Very low	31.4	Very low	155 Å²	155	144.5 Å²	144.5	67%	0.674	77%	0.773	S	S	*	*			trans	-83.2	178.3	168.3	-118.2	-175.8	-179.6	-174.5	0	111.5	E100	K98-E100 VanDerWaalsContact CE-OE1 3.31Å; K98-E100 WeakPolarHBondContact CE-OE1 3.44Å; K98-E100 IonicContact NZ-OE1 2.74Å; K98-E100 PolarHBondContact NZ-OE1 2.92Å
99	P	42.9	Very low	31.8	Very low	118 Å²	118	147.1 Å²	147.1	77%	0.766	79%	0.785	S	S	*	*			cis	-123	176.2	33.5	19.3	7.2	0	0	0	114.2
100	E	29	Very low	31.7	Very low	149 Å²	149	143.7 Å²	143.7	70%	0.696	78%	0.783	S	S	*	*			cis	83.6	101.3	37.2	-120.8	170.5	-107.5	0	0	115.8	K98	K98-E100 VanDerWaalsContact CE-OE1 3.31Å; K98-E100 WeakPolarHBondContact CE-OE1 3.44Å; K98-E100 IonicContact NZ-OE1 2.74Å; K98-E100 PolarHBondContact NZ-OE1 2.92Å
101	E	27.4	Very low	31.6	Very low	204 Å²	204	142.1 Å²	142.1	95%	0.953	78%	0.784	S	S	*	*			trans	-164.5	161.8	147.3	-134.9	171.3	-153.9	0	0	111.2
102	E	29.5	Very low	31.5	Very low	168 Å²	168	139.1 Å²	139.1	79%	0.785	78%	0.78	S	S	*	*			trans	-116.9	154.4	-171.1	-59.2	-175.4	118.4	0	0	113.8
103	H	28.8	Very low	31.4	Very low	160 Å²	160	138.3 Å²	138.3	74%	0.741	79%	0.785	S	S	*	*				156.7	131	125.5	-92.4	-74.3	0	0	0	115.3
104	L	29.5	Very low	31.7	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	78%	0.784	S	S	*	*			trans	65.9	142.5	146	-61.4	168.9	0	0	0	119.3
105	A	27.8	Very low	31.9	Very low	78 Å²	78	137 Å²	137	65%	0.645	78%	0.784	S	S	*	*			cis	-164.3	171.2	-8.1	0	0	0	0	0	112.6
106	C	30.7	Very low	32.5	Very low	126 Å²	126	136.8 Å²	136.8	85%	0.851	78%	0.784	S	S	*	*			trans	78.9	133	162.9	-61.2	0	0	0	0	119.1
107	D	29.8	Very low	32.9	Very low	156 Å²	156	134.9 Å²	134.9	83%	0.834	78%	0.783	S	S	*	*			trans	-86.3	161.1	-171.2	-45.6	-95.9	0	0	0	114.7
108	I	31.5	Very low	32.5	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	78%	0.779	S	S	*	*				-166.5	128.9	128.2	-96.8	149.4	0	0	0	108.4
109	T	32.8	Very low	32.7	Very low	143 Å²	143	131.8 Å²	131.8	88%	0.877	79%	0.785	S	S	*	*			trans	-119.9	136.1	169.4	47.7	0	0	0	0	109.8
110	G	31.3	Very low	32.1	Very low	72 Å²	72	130.6 Å²	130.6	74%	0.742	78%	0.779	S	S	*	*			trans	-103.3	133.9	178.3	0	0	0	0	0	111.8
111	S	30.9	Very low	32.2	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	78%	0.782	S	S	*	*			trans	-160.2	126.8	172.7	-81.8	0	0	0	0	113.9
112	S	32.6	Very low	32.4	Very low	106 Å²	106	126.2 Å²	126.2	74%	0.741	77%	0.766	S	S	*	*			trans	58.9	140.3	134.4	-52.7	0	0	0	0	122.9
113	S	32.9	Very low	32.7	Very low	123 Å²	123	126.7 Å²	126.7	86%	0.86	76%	0.761	S	S	*	*			trans	72.5	163.6	153.9	85	0	0	0	0	116.4
114	S	34.6	Very low	32.6	Very low	91 Å²	91	125.7 Å²	125.7	64%	0.636	76%	0.756	S	S	*	*			cis	-172.7	161.9	-21.8	166	0	0	0	0	110.4
115	T	37.4	Very low	32.7	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	76%	0.755	S	S	*	*			trans	70.8	163.9	153.6	27.8	0	0	0	0	120.6
116	D	39.3	Very low	32.9	Very low	147 Å²	147	124.2 Å²	124.2	79%	0.786	76%	0.755	S	S	*	*			trans	-102.3	172.9	-162.7	-55.4	-94.6	0	0	0	115.6
117	D	39.4	Very low	32.9	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	76%	0.756	S	S	*	*				123	135.6	117.7	-129.5	-10.6	0	0	0	121.7
118	T	34.8	Very low	32.9	Very low	118 Å²	118	123 Å²	123	72%	0.724	75%	0.749	S	S	*	*			trans	68.6	145.3	157.8	67	0	0	0	0	125.3
119	A	33.4	Very low	32.8	Very low	97 Å²	97	120.7 Å²	120.7	80%	0.802	75%	0.748	S	S	*	*			trans	73.9	148.3	147.4	0	0	0	0	0	120.3
120	S	31.5	Very low	32.6	Very low	94 Å²	94	121.3 Å²	121.3	66%	0.657	75%	0.746	S	S	*	*			cis	-172.4	146	-10.4	158.9	0	0	0	0	112.8
121	L	31.1	Very low	32.6	Very low	143 Å²	143	123.2 Å²	123.2	75%	0.749	74%	0.743	S	S	*	*			trans	54.6	122.4	155.8	-67.1	169.3	0	0	0	120.2
122	D	30.3	Very low	32.6	Very low	117 Å²	117	123.2 Å²	123.2	63%	0.626	74%	0.743	S	S	*	*				115	154.8	98.8	-101.7	4.3	0	0	0	109
123	R	35.4	Very low	32.7	Very low	179 Å²	179	125.9 Å²	125.9	68%	0.675	75%	0.748	S	S	*	*			cis	-160.8	159.2	1	-128.2	165.3	-166.9	-128.4	-5	111
124	H	28.5	Very low	32.4	Very low	139 Å²	139	125.2 Å²	125.2	64%	0.644	74%	0.743	S	S	*	*			trans	55.9	115.3	153.4	-59.1	-29.6	0	0	0	119.7
125	S	29.9	Very low	32.1	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	75%	0.752	S	S	*	*				80.5	148.1	91	98.3	0	0	0	0	114.4
126	S	32.3	Very low	31.7	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	75%	0.751	S	S	*	*			cis	-167.8	162.7	11.2	62.8	0	0	0	0	113.1
127	H	31.8	Very low	31.1	Very low	189 Å²	189	129.9 Å²	129.9	88%	0.875	75%	0.748	S	S	*	*			trans	63.3	147.6	151.3	-79.7	-72.1	0	0	0	122.4
128	G	28.5	Very low	30.4	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	75%	0.749	S	S	*	*			trans	87.7	113.7	160.2	0	0	0	0	0	115
129	S	30.9	Very low	31	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	75%	0.746	S	S	*	*			cis	106.6	113.1	26.9	73.2	0	0	0	0	113.8
130	D	28.2	Very low	30.7	Very low	155 Å²	155	133.8 Å²	133.8	83%	0.829	75%	0.748	S	S	*	*			trans	90.5	154.8	140.3	-128.2	-17.6	0	0	0	122.6
131	V	30.3	Very low	30.5	Very low	113 Å²	113	140.6 Å²	140.6	69%	0.685	76%	0.76	S	S	*	*			trans	64.9	107.1	159.7	-174.4	0	0	0	0	122.2
132	S	32.4	Very low	30.3	Very low	114 Å²	114	139 Å²	139	80%	0.797	76%	0.761	S	S	*	*				41.6	148.7	126.8	-50.4	0	0	0	0	125.4
133	L	33.9	Very low	30.2	Very low	161 Å²	161	143.1 Å²	143.1	84%	0.843	77%	0.767	S	S	*	*			trans	-67.9	149.2	170.5	-63.2	90.6	0	0	0	114.2
134	S	25.8	Very low	29.8	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	76%	0.761	S	S	*	*				179	133.6	108.1	-76	0	0	0	0	116.1
135	Q	29.4	Very low	29.9	Very low	176 Å²	176	141.5 Å²	141.5	82%	0.822	76%	0.763	S	S	*	*			trans	14.7	143.1	146.2	-53.5	174.1	-27.1	0	0	122.4
136	I	28.5	Very low	29.9	Very low	150 Å²	150	145 Å²	145	77%	0.769	77%	0.767	S	S	*	*				175.3	122.2	112.5	-91.1	166.5	0	0	0	115.8
137	L	27.2	Very low	29.7	Very low	139 Å²	139	145.9 Å²	145.9	73%	0.728	77%	0.773	S	S	*	*			trans	34.2	141	144.1	-61.5	169	0	0	0	127.2
138	K	25.2	Very low	29.8	Very low	180 Å²	180	143.9 Å²	143.9	78%	0.783	77%	0.768	S	S	*	*			trans	80.6	163.5	134.3	-89.5	175	-177.3	179.6	0	120.6
139	P	46.8	Very low	29.8	Very low	102 Å²	102	148.3 Å²	148.3	66%	0.662	78%	0.776	S	S	*	*			cis	-139.5	-167.7	-12.3	36	-14.3	0	0	0	116.9
140	N	25.9	Very low	29.8	Very low	159 Å²	159	145.9 Å²	145.9	85%	0.85	77%	0.769	S	S	*	*			trans	108.9	161.1	148.3	-71.2	-9.6	0	0	0	122.2
141	R	28	Very low	29.8	Very low	237 Å²	237	147.6 Å²	147.6	89%	0.894	77%	0.77	S	S	*	*			trans	-167.9	131.7	-141	176.5	-163.6	-168.7	-166.3	7.3	115
142	S	26.9	Very low	29.7	Very low	110 Å²	110	152 Å²	152	77%	0.769	78%	0.775	S	S	*	*			trans	-165.8	140.1	162.6	44.4	0	0	0	0	108.8
143	R	28.8	Very low	29.6	Very low	202 Å²	202	150.1 Å²	150.1	76%	0.762	76%	0.762	S	S	*	*			cis	70.4	142	42.6	-66.1	-153.3	98.6	173.5	3.3	114.6
144	D	27.3	Very low	29.4	Very low	101 Å²	101	151.2 Å²	151.2	54%	0.54	76%	0.762	S	S	.	*			cis	-163.9	168.3	-8.9	-115.4	36.8	0	0	0	107.3
145	R	30.5	Very low	29.5	Very low	184 Å²	184	149.2 Å²	149.2	69%	0.694	76%	0.759	S	S	*	*			cis	180	114.3	-22.9	166.1	-162.9	133.6	-73	6	109.5
146	Q	29.2	Very low	29.5	Very low	187 Å²	187	150.2 Å²	150.2	87%	0.874	77%	0.766	S	S	*	*			trans	-159	170	176.3	-95.6	139.9	-43.2	0	0	110.4
147	S	28.6	Very low	29.4	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	77%	0.769	S	S	*	*			cis	176	148.8	-32.1	-171.3	0	0	0	0	109.3
148	L	33.7	Very low	29.5	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	77%	0.772	S	S	*	*			cis	-166.9	120.5	-33.9	178.7	148.2	0	0	0	108.7
149	D	28.5	Very low	29.7	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	78%	0.779	S	S	*	*			trans	-171	152.4	159.9	-95.9	-23	0	0	0	106
150	G	31.9	Very low	28.7	Very low	67 Å²	67	144.4 Å²	144.4	69%	0.691	79%	0.785	S	S	*	*			cis	138.8	112.8	4.3	0	0	0	0	0	108
151	F	27.6	Very low	28.8	Very low	192 Å²	192	146.7 Å²	146.7	84%	0.842	78%	0.781	S	S	*	*			cis	-139.2	162	19.4	-99.7	-113	0	0	0	113.9
152	Y	28.8	Very low	28.6	Very low	206 Å²	206	142.1 Å²	142.1	81%	0.808	77%	0.77	S	S	*	*			trans	-15.8	161.8	152.8	-67.2	-96	0	0	0	119.6
153	S	28.9	Very low	28.6	Very low	73 Å²	73	141.2 Å²	141.2	51%	0.51	76%	0.764	S	S	.	*			cis	170	174.2	-14.5	-89.4	0	0	0	0	106.9
154	H	29.7	Very low	28.5	Very low	184 Å²	184	139.7 Å²	139.7	85%	0.852	77%	0.765	S	S	*	*			cis	-167.3	175.7	-17.2	-94.2	-13.6	0	0	0	106
155	G	28.8	Very low	28.4	Very low	68 Å²	68	140.4 Å²	140.4	70%	0.701	78%	0.778	S	S	*	*			cis	171.6	162.1	-0.2	0	0	0	0	0	110.7
156	M	29	Very low	28.3	Very low	196 Å²	196	140 Å²	140	97%	0.966	78%	0.784	S	S	*	*			trans	-52.9	149.7	-171	-56.8	168.4	69.1	0	0	116
157	G	27	Very low	29.1	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	78%	0.777	S	S	*	*			trans	-106.1	175.2	173.7	0	0	0	0	0	115
158	A	29.7	Very low	29.1	Very low	97 Å²	97	135.6 Å²	135.6	80%	0.802	78%	0.777	S	S	*	*			trans	-158	151	171.6	0	0	0	0	0	112.4
159	E	27.9	Very low	28.9	Very low	197 Å²	197	135.6 Å²	135.6	92%	0.921	78%	0.778	S	S	*	*			trans	26.6	122.3	154.6	-56	-174	137.4	0	0	122.2
160	G	25.8	Very low	29.8	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	77%	0.774	S	S	*	*				116.1	122.6	113.7	0	0	0	0	0	121.2
161	R	28	Very low	29.6	Very low	206 Å²	206	133 Å²	133	78%	0.777	77%	0.767	S	S	*	*			trans	71.3	118.2	148.2	-80.8	-177.4	161.1	-107.4	-15.7	122.4
162	E	25.1	Very low	29.9	Very low	141 Å²	141	131.1 Å²	131.1	66%	0.659	77%	0.766	S	S	*	*				86.7	140.9	124.4	-71.3	169	153.7	0	0	123.4
163	S	25.4	Very low	30.2	Very low	92 Å²	92	127.2 Å²	127.2	64%	0.643	76%	0.764	S	S	*	*			trans	65.8	107.8	157.3	-80.4	0	0	0	0	123.4
164	E	26.4	Very low	30.4	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	78%	0.782	S	S	*	*				72.7	151.1	120.5	-66.5	166.5	113.1	0	0	121.9
165	S	26.6	Very low	30.8	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	78%	0.781	S	S	*	*			trans	89	95.7	163.6	-32.1	0	0	0	0	119
166	E	27.8	Very low	31.3	Very low	174 Å²	174	139 Å²	139	81%	0.813	79%	0.793	S	S	*	*				-29.4	164.5	124.3	-76.2	-86.4	146.8	0	0	115.1
167	P	46.6	Very low	31.8	Very low	112 Å²	112	138 Å²	138	73%	0.727	79%	0.786	S	S	*	*			cis	-139.4	-162.4	12.9	37.4	-15.6	0	0	0	115.2
168	A	27.2	Very low	32.2	Very low	93 Å²	93	141.2 Å²	141.2	77%	0.769	78%	0.781	S	S	*	*			trans	103	100.1	141.4	0	0	0	0	0	120.2
169	D	30.2	Very low	32.2	Very low	146 Å²	146	143 Å²	143	78%	0.781	78%	0.777	S	S	*	*			trans	-65.8	165.2	149	-164.8	40.4	0	0	0	111.2
170	P	47.3	Very low	32.5	Very low	120 Å²	120	137.6 Å²	137.6	78%	0.779	76%	0.761	S	S	*	*				-156.5	161.6	91.2	40.4	-21.4	0	0	0	118.4
171	G	28.7	Very low	32.9	Very low	53 Å²	53	141.3 Å²	141.3	55%	0.546	76%	0.761	S	S	.	*			trans	118	103.6	145.5	0	0	0	0	0	115.1
172	D	32	Very low	33.1	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	76%	0.757	S	S	*	*				77.8	143.5	66.4	-65.5	-39.6	0	0	0	113.6
173	V	36.4	Very low	33.3	Very low	125 Å²	125	138.6 Å²	138.6	76%	0.758	77%	0.765	S	S	*	*			cis	-114.5	-146.9	4	-139.9	0	0	0	0	109.6
174	E	33.2	Very low	33.9	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	77%	0.773	S	S	*	*			cis	-136.5	-172.8	14.6	-67.5	175.3	124.4	0	0	111.2
175	E	37.5	Very low	34.3	Very low	180 Å²	180	138.5 Å²	138.5	84%	0.841	77%	0.774	S	S	*	*			trans	-100.1	174.3	-167.1	-57.4	177	145	0	0	111.4
176	E	38.9	Very low	34.3	Very low	202 Å²	202	137 Å²	137	94%	0.944	77%	0.769	S	S	*	*			cis	-132.3	-163.6	40.9	-64	-173.6	135.2	0	0	115.2
177	E	39.9	Very low	34.3	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	77%	0.771	S	S	*	*			trans	-113	157.5	-144.9	-179.4	177.3	-150.2	0	0	115.5
178	M	35.7	Very low	33.2	Very low	147 Å²	147	136.5 Å²	136.5	72%	0.724	77%	0.774	S	S	*	*			trans	164.1	120.5	131.2	-84.5	-58.2	-72.5	0	0	113.9
179	D	29.7	Very low	33.2	Very low	135 Å²	135	137.1 Å²	137.1	72%	0.722	77%	0.772	S	S	*	*			trans	22.6	151.1	152.6	-81.8	-43.1	0	0	0	124.4
180	S	33.6	Very low	33.1	Very low	84 Å²	84	135.8 Å²	135.8	59%	0.587	77%	0.769	S	S	*	*			cis	-175.4	144.9	-46.1	48.9	0	0	0	0	110.5
181	I	34.5	Very low	32.1	Very low	154 Å²	154	136.4 Å²	136.4	79%	0.79	77%	0.765	S	S	*	*			trans	51.4	132.1	140.2	-66.5	172.4	0	0	0	120.1
182	T	31.6	Very low	32.1	Very low	110 Å²	110	144.5 Å²	144.5	68%	0.675	78%	0.779	S	S	*	*			cis	-164.7	171	-5.2	27.1	0	0	0	0	112.1
183	E	29.8	Very low	31.8	Very low	180 Å²	180	142.8 Å²	142.8	84%	0.841	78%	0.779	S	S	*	*			trans	84.1	160.2	141.1	-95.1	178.1	-131.5	0	0	123.7
184	V	37.7	Very low	31.3	Very low	133 Å²	133	141.5 Å²	141.5	81%	0.806	78%	0.776	S	S	*	*			trans	-140.4	133.8	-168.3	175.3	0	0	0	0	110.4
185	P	34.4	Very low	31.1	Very low	127 Å²	127	140 Å²	140	83%	0.825	77%	0.771	S	S	*	*			trans	-126.4	169	158.7	37.6	-26.1	0	0	0	113.7
186	A	28.6	Very low	30.8	Very low	84 Å²	84	141.5 Å²	141.5	69%	0.694	77%	0.768	S	S	*	*			trans	-132.2	156.4	-179.1	0	0	0	0	0	113.4
187	N	26.5	Very low	30.2	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	76%	0.761	S	S	*	*			trans	73.6	126.8	158.8	-65.3	-37.8	0	0	0	121.5
188	C	24.5	Very low	29.6	Very low	115 Å²	115	136.5 Å²	136.5	78%	0.777	76%	0.762	S	S	*	*			trans	98	117.9	131	-141	0	0	0	0	122.6
189	S	25.7	Very low	29.5	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	76%	0.758	S	S	*	*			trans	69.5	154.3	150.2	69.4	0	0	0	0	117.7
190	V	28.6	Very low	29.7	Very low	117 Å²	117	133.7 Å²	133.7	71%	0.709	76%	0.764	S	S	*	*			cis	-156.1	137.1	39.3	166.7	0	0	0	0	113.1
191	L	27.5	Very low	29.4	Very low	133 Å²	133	137.8 Å²	137.8	70%	0.696	77%	0.772	S	S	*	*			trans	47.6	125.8	152.8	-60.8	168.7	0	0	0	126.4
192	R	28.5	Very low	29.5	Very low	224 Å²	224	139.7 Å²	139.7	85%	0.845	77%	0.769	S	S	*	*			trans	67.6	145	131.3	-68.3	178.8	177	-178.4	0.6	119.5
193	S	25.1	Very low	29.4	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	78%	0.779	S	S	*	*			cis	-155.4	-172	31.7	60.3	0	0	0	0	112.2
194	S	27	Very low	29.4	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	78%	0.777	S	S	*	*				-176.9	142.7	-55.6	-175.1	0	0	0	0	109.4
195	M	28.5	Very low	29.1	Very low	160 Å²	160	143.8 Å²	143.8	79%	0.788	77%	0.773	S	S	*	*			trans	73.7	157.1	171.6	-58.1	-129.9	-65.2	0	0	118.2
196	R	31.1	Very low	28.9	Very low	210 Å²	210	150.6 Å²	150.6	79%	0.792	78%	0.782	S	S	*	*			cis	175.9	135.8	-41.4	-117.1	-177	-178.5	178.9	1.9	110
197	S	26.1	Very low	29	Very low	114 Å²	114	149.7 Å²	149.7	80%	0.797	78%	0.78	S	S	*	*			trans	-165.5	112.1	139.1	43.4	0	0	0	0	107.9
198	L	26.5	Very low	30	Very low	158 Å²	158	148.7 Å²	148.7	83%	0.827	78%	0.783	S	S	*	*				92.2	111.8	64.7	-82.3	172.5	0	0	0	112.4
199	S	34.2	Very low	30	Very low	92 Å²	92	146.4 Å²	146.4	64%	0.643	78%	0.779	S	S	*	*			trans	-116.7	146.5	169.2	56.8	0	0	0	0	110.8
200	P	35	Very low	30.2	Very low	130 Å²	130	150.3 Å²	150.3	84%	0.844	78%	0.783	S	S	*	*			trans	-89	141.8	168	-11.7	29.9	0	0	0	113.2
201	F	27	Very low	30.3	Very low	171 Å²	171	152.1 Å²	152.1	75%	0.75	79%	0.788	S	S	*	*			trans	-94.5	-170.9	157.8	-59	-113	0	0	0	108
202	R	35.3	Very low	30.3	Very low	193 Å²	193	150.1 Å²	150.1	73%	0.728	79%	0.791	S	S	*	*			cis	-170.1	155.7	7.5	-155	-179.1	-76.4	-156.9	-3	109.4
203	R	29.9	Very low	30.3	Very low	235 Å²	235	143.9 Å²	143.9	89%	0.887	79%	0.787	S	S	*	*				168.8	170.9	122.1	-92.6	173.6	-172.2	-88.6	1.5	112.7
204	H	29.6	Very low	30.4	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.796	78%	0.784	S	S	*	*			trans	-132.1	150.1	-173.4	-71.1	-80.9	0	0	0	112.2
205	S	32.5	Very low	30.6	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	79%	0.793	S	S	*	*			trans	45.7	131.3	143.3	-50.4	0	0	0	0	122.2
206	W	29.5	Very low	30.7	Very low	270 Å²	270	144 Å²	144	100%	1.023	80%	0.798	S	S	*	*			trans	-159	-179	130.4	-96.9	106.4	0	0	0	110.3
207	G	29.9	Very low	30.7	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	80%	0.799	S	S	*	*			trans	-108.4	-153.8	-155	0	0	0	0	0	119
208	P	47.6	Very low	31	Very low	140 Å²	140	144.2 Å²	144.2	91%	0.909	80%	0.797	S	S	*	*			trans	-126.3	166.3	-138.7	43.2	-32.3	0	0	0	118.9
209	G	25.9	Very low	31.2	Very low	68 Å²	68	141 Å²	141	70%	0.701	78%	0.78	S	S	*	*			trans	168.8	176.4	163.1	0	0	0	0	0	111.6
210	K	29.9	Very low	31	Very low	188 Å²	188	145.5 Å²	145.5	82%	0.817	79%	0.791	S	S	*	*			cis	-176.7	112.1	-27.8	-120.9	-176.4	179.2	-177.7	0	109
211	N	30.3	Very low	31	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	78%	0.783	S	S	*	*			trans	66.1	165.8	163.6	-37.6	-15.6	0	0	0	115.9
212	A	27	Very low	31.3	Very low	90 Å²	90	143.6 Å²	143.6	74%	0.744	78%	0.775	S	S	*	*			cis	-156.5	154.2	2.7	0	0	0	0	0	114.5
213	A	27.9	Very low	30.9	Very low	94 Å²	94	143.2 Å²	143.2	78%	0.777	78%	0.778	S	S	*	*			trans	70.7	159	137.8	0	0	0	0	0	124.7
214	S	28.6	Very low	31	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	77%	0.77	S	S	*	*			trans	63.5	125.1	-178.8	53.5	0	0	0	0	116.8
215	D	30.4	Very low	31.2	Very low	163 Å²	163	135.2 Å²	135.2	87%	0.872	77%	0.767	S	S	*	*			cis	83.8	106.7	29.8	-65.4	-39.3	0	0	0	116.2
216	A	30.1	Very low	31.2	Very low	107 Å²	107	138.9 Å²	138.9	88%	0.884	77%	0.772	S	S	*	*				-179.9	140.8	128.4	0	0	0	0	0	112
217	E	30.8	Very low	31.3	Very low	174 Å²	174	129.1 Å²	129.1	81%	0.813	76%	0.755	S	S	*	*			trans	-90.7	157.3	162.8	-62.8	174.4	97.4	0	0	110.4
218	M	33.1	Very low	31.3	Very low	154 Å²	154	133.8 Å²	133.8	76%	0.759	76%	0.764	S	S	*	*				-177.5	129	117.5	-118.7	54.5	-171.8	0	0	116.5
219	N	30.4	Very low	30.5	Very low	89 Å²	89	133.5 Å²	133.5	48%	0.476	76%	0.76	S	S	.	*			trans	42.2	113.6	141.6	-73	-37.8	0	0	0	123.6	R221	N219-R221 PolarHBondContact OD1-NE 2.94Å; N219-R221 PolarHBondContact OD1-NH2 2.65Å; N219-R221 VanDerWaalsContact OD1-NH2 3.11Å
220	H	30.8	Very low	30.6	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.866	77%	0.766	S	S	*	*			trans	-164	137.1	132.8	-108.7	-82.3	0	0	0	108.5
221	R	34.1	Very low	30.5	Very low	181 Å²	181	129 Å²	129	68%	0.683	77%	0.767	S	S	*	*			cis	84.8	134.1	0.8	-48.8	175.4	-175.8	-86.4	-2.1	117.7	N219	N219-R221 PolarHBondContact OD1-NE 2.94Å; N219-R221 PolarHBondContact OD1-NH2 2.65Å; N219-R221 VanDerWaalsContact OD1-NH2 3.11Å
222	S	33.3	Very low	30.5	Very low	81 Å²	81	126.5 Å²	126.5	57%	0.566	77%	0.768	S	S	*	*			cis	-163.6	172.6	-21.3	42.6	0	0	0	0	112
223	F	27.4	Very low	30.6	Very low	184 Å²	184	125.5 Å²	125.5	81%	0.807	77%	0.767	S	S	*	*			trans	99.7	135.6	165.6	-52.1	-67.8	0	0	0	115.6
224	S	31.8	Very low	30.7	Very low	102 Å²	102	128.2 Å²	128.2	71%	0.713	77%	0.773	S	S	*	*			cis	74.3	140	34.3	-57.9	0	0	0	0	113.7
225	L	33.4	Very low	30.6	Very low	138 Å²	138	126.1 Å²	126.1	72%	0.723	77%	0.769	S	S	*	*			cis	-161.4	162.6	0	-123.8	164.6	0	0	0	109.7
226	E	32.1	Very low	30.5	Very low	179 Å²	179	126.1 Å²	126.1	84%	0.836	77%	0.769	S	S	*	*			trans	58.5	162.7	162.6	-78.6	146.9	161.4	0	0	119.5
227	G	31.5	Very low	30.7	Very low	65 Å²	65	130.4 Å²	130.4	67%	0.67	77%	0.767	S	S	*	*			cis	172.9	-179.4	-7.8	0	0	0	0	0	113.9
228	L	30.9	Very low	31.2	Very low	163 Å²	163	128 Å²	128	85%	0.853	77%	0.767	S	S	*	*			trans	72.1	114.5	159.8	-57.7	-179.3	0	0	0	122.9
229	T	29.9	Very low	31	Very low	133 Å²	133	126.8 Å²	126.8	82%	0.816	77%	0.773	S	S	*	*			trans	13.5	133.6	131.7	57.8	0	0	0	0	122.8
230	G	28.9	Very low	31	Very low	81 Å²	81	128.3 Å²	128.3	84%	0.835	79%	0.791	S	S	*	*				122.4	140	121	0	0	0	0	0	119.7
231	G	28.4	Very low	30.9	Very low	80 Å²	80	125.2 Å²	125.2	83%	0.825	79%	0.79	S	S	*	*			trans	103	121.6	141.3	0	0	0	0	0	120.4
232	A	30.5	Very low	30.7	Very low	103 Å²	103	123.4 Å²	123.4	85%	0.851	79%	0.794	S	S	*	*			trans	37.7	107.4	141.6	0	0	0	0	0	122.1
233	G	28	Very low	30.3	Very low	70 Å²	70	127.1 Å²	127.1	72%	0.722	80%	0.802	S	S	*	*				67	133.8	102.3	0	0	0	0	0	122.4
234	V	30.5	Very low	30.4	Very low	150 Å²	150	124 Å²	124	91%	0.909	80%	0.798	S	S	*	*			trans	70.4	134.3	161.4	-167.7	0	0	0	0	115.6
235	G	26.6	Very low	30.1	Very low	64 Å²	64	124.2 Å²	124.2	66%	0.66	80%	0.799	S	S	*	*			cis	166.8	-162.4	-4.6	0	0	0	0	0	113.2
236	N	28.7	Very low	29.9	Very low	163 Å²	163	122.6 Å²	122.6	87%	0.872	80%	0.8	S	S	*	*			trans	77.8	130	170.3	-61.8	-17.4	0	0	0	120.3
237	K	33.2	Very low	30	Very low	197 Å²	197	118 Å²	118	86%	0.857	79%	0.792	S	S	*	*			trans	-82.6	-176.6	162.5	-60.3	176.2	178.6	176.4	0	110
238	P	42.8	Very low	29.7	Very low	124 Å²	124	122.8 Å²	122.8	81%	0.805	80%	0.802	S	S	*	*				-140.8	151.6	107.5	38.4	-28.8	0	0	0	115.2
239	S	28.1	Very low	30	Very low	128 Å²	128	118.8 Å²	118.8	90%	0.895	79%	0.793	S	S	*	*			trans	-176.2	155.1	147.1	-81.4	0	0	0	0	109.5
240	S	29.8	Very low	30.3	Very low	121 Å²	121	121 Å²	121	85%	0.846	79%	0.794	S	S	*	*			trans	-127.5	141.7	-158.4	54.1	0	0	0	0	114.9
241	S	29	Very low	30.3	Very low	122 Å²	122	124 Å²	124	85%	0.853	79%	0.786	S	S	*	*			trans	-156.1	156.8	149.1	64.7	0	0	0	0	112.5
242	L	29.9	Very low	30.9	Very low	144 Å²	144	126.9 Å²	126.9	75%	0.754	78%	0.782	S	S	*	*			trans	-69.6	167.8	175.9	-57.7	131	0	0	0	110.8
243	E	25.4	Very low	31	Very low	159 Å²	159	133.4 Å²	133.4	74%	0.743	78%	0.784	S	S	*	*			cis	-161.6	151	-1.3	-127.7	164.3	171.7	0	0	112.6
244	V	28.4	Very low	31.4	Very low	119 Å²	119	138.3 Å²	138.3	72%	0.721	79%	0.788	S	S	*	*			trans	36	112.7	137.4	173.5	0	0	0	0	122.3
245	S	26.5	Very low	32.4	Very low	106 Å²	106	136 Å²	136	74%	0.741	78%	0.777	S	S	*	*				56.8	157.4	127.1	-55.2	0	0	0	0	123.5
246	S	29.5	Very low	32.5	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	79%	0.785	S	S	*	*			cis	-174.6	151.5	-20.3	54.3	0	0	0	0	112.7
247	A	32.9	Very low	32.5	Very low	82 Å²	82	139.5 Å²	139.5	68%	0.678	78%	0.779	S	S	*	*			trans	60.7	139.5	148.2	0	0	0	0	0	122.8
248	N	26.5	Very low	32.2	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	78%	0.777	S	S	*	*				-178.1	164.5	113.4	-92.9	-23.3	0	0	0	114
249	A	36.5	Very low	31.6	Very low	79 Å²	79	137 Å²	137	65%	0.653	78%	0.781	S	S	*	*			trans	-92.5	-173.6	166.9	0	0	0	0	0	110.5
250	E	35.7	Very low	31.8	Very low	181 Å²	181	138 Å²	138	85%	0.846	77%	0.771	S	S	*	*			cis	-148.9	-159.4	3.4	-137.8	145.9	89.1	0	0	106.9
251	E	30.7	Very low	31.8	Very low	142 Å²	142	142 Å²	142	66%	0.664	77%	0.768	S	S	*	*			cis	-150	-151.5	8.4	-150.2	-108.8	96.1	0	0	109.3
252	L	39.7	Very low	31.7	Very low	141 Å²	141	141.5 Å²	141.5	74%	0.738	76%	0.76	S	S	*	*			trans	-124.4	157.2	-168.8	-61.8	155.3	0	0	0	115
253	R	32.4	Very low	31.5	Very low	240 Å²	240	141.7 Å²	141.7	91%	0.906	76%	0.761	S	S	*	*				173.4	178	115.9	-92.3	-179.3	-173.5	-144.1	1	115.6
254	H	37.7	Very low	31.6	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.806	76%	0.758	S	S	*	*			trans	-118.8	178	-147.6	-109.3	-51.4	0	0	0	113.9
255	P	51.6	Low	31.5	Very low	102 Å²	102	140.3 Å²	140.3	66%	0.662	76%	0.762	S	S	*	*				-137.8	-147.4	52.8	36.4	-10.9	0	0	0	113.5
256	F	28.1	Very low	31.5	Very low	193 Å²	193	141.3 Å²	141.3	85%	0.846	76%	0.763	S	S	*	*			cis	-151.7	-140.3	0.8	-141.7	-26.6	0	0	0	114.3
257	S	27.8	Very low	31.3	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	76%	0.759	S	S	*	*			trans	-104.2	179.2	-166.4	53.6	0	0	0	0	114.6
258	G	26.6	Very low	31.1	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	77%	0.767	S	S	*	*			cis	-167.6	-146.9	13.5	0	0	0	0	0	115
259	E	31.7	Very low	31.2	Very low	191 Å²	191	141.5 Å²	141.5	89%	0.893	76%	0.759	S	S	*	*			trans	-128.7	178.4	-157.3	-167.6	170.4	-168.6	0	0	114.9
260	E	31.4	Very low	31	Very low	149 Å²	149	145.2 Å²	145.2	70%	0.696	76%	0.763	S	S	*	*			trans	71.6	162.5	173.9	-71.5	-155	121.8	0	0	118.3
261	R	29.1	Very low	30.8	Very low	205 Å²	205	144.7 Å²	144.7	77%	0.774	76%	0.76	S	S	*	*			cis	-178.4	176.6	-27.2	-176.4	171.5	173.6	174.3	0.4	109.5
262	V	28.6	Very low	30.8	Very low	112 Å²	112	144.3 Å²	144.3	68%	0.679	76%	0.763	S	S	*	*			trans	90.7	107.5	158.7	-170.6	0	0	0	0	120.6
263	D	25.5	Very low	30.4	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	77%	0.767	S	S	*	*				37	148.3	128.3	-45.4	-31.2	0	0	0	127.2
264	S	25.9	Very low	30.3	Very low	97 Å²	97	142 Å²	142	68%	0.678	76%	0.763	S	S	*	*				97.9	105.8	128.4	-170	0	0	0	0	123.2
265	L	26.4	Very low	29.9	Very low	151 Å²	151	139.7 Å²	139.7	79%	0.791	77%	0.766	S	S	*	*				46.2	135.5	127.2	-62.5	167.1	0	0	0	123.5
266	V	27.4	Very low	28.8	Very low	128 Å²	128	140.5 Å²	140.5	78%	0.776	77%	0.765	S	S	*	*			trans	70.3	151.1	136.6	167	0	0	0	0	118.5
267	S	26.1	Very low	29	Very low	92 Å²	92	137 Å²	137	64%	0.643	75%	0.751	S	S	*	*			cis	-177.1	168.8	-36.6	-73.7	0	0	0	0	107.8
268	L	27.3	Very low	29.1	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	75%	0.747	S	S	*	*			trans	77.6	171.9	157.8	-55.5	-174.4	0	0	0	120.6
269	S	28.1	Very low	29.3	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	73%	0.733	S	S	*	*			trans	69.6	111.6	-170.1	62.9	0	0	0	0	115.8
270	E	32.9	Very low	29.2	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	72%	0.722	S	S	*	*				79.3	110.8	55.2	-65.5	163.7	130.8	0	0	110.2
271	E	31.9	Very low	29.5	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	72%	0.72	S	S	*	*				107	152.2	95.9	81.3	-166.5	130.7	0	0	109
272	D	31.6	Very low	29.7	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	71%	0.712	S	S	*	*			cis	-157.4	-167.7	-3.6	-156.1	-3.7	0	0	0	110.7
273	L	30.7	Very low	29.9	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	71%	0.713	S	S	*	*			trans	108.1	110.2	154.5	-59.3	-175.2	0	0	0	120.2
274	E	30.8	Very low	30.2	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	70%	0.7	S	S	*	*			trans	-72	163.7	175.9	-47.4	167.2	112.3	0	0	115
275	S	27.8	Very low	30.5	Very low	125 Å²	125	138.4 Å²	138.4	87%	0.874	70%	0.698	S	S	*	*			trans	176.6	148.9	131.6	-79.6	0	0	0	0	112.2
276	D	29.3	Very low	30.7	Very low	118 Å²	118	138.1 Å²	138.1	63%	0.631	69%	0.693	S	S	*	*			cis	-167.8	148.9	-26.8	-172.9	24	0	0	0	110
277	Q	32.8	Very low	30.7	Very low	121 Å²	121	139.1 Å²	139.1	57%	0.565	69%	0.692	S	S	*	*			trans	45.5	165.8	154.6	-84.9	160.6	75.1	0	0	121.5
278	R	28.7	Very low	30.7	Very low	173 Å²	173	139.9 Å²	139.9	65%	0.653	70%	0.697	S	S	*	*			cis	-147.3	126.9	8.8	-126.8	149.2	-164.1	-58.2	-32.9	107.8
279	E	30.8	Very low	30.5	Very low	107 Å²	107	141.4 Å²	141.4	50%	0.5	70%	0.699	S	S	.	*				78.1	150.2	94.3	-74.8	-156.4	154.3	0	0	116.2
280	H	29.6	Very low	30.4	Very low	145 Å²	145	146.8 Å²	146.8	67%	0.671	70%	0.704	S	S	*	*			cis	-173.4	167.1	-16	-110.6	-1.9	0	0	0	109
281	R	37.5	Very low	30	Very low	171 Å²	171	144.9 Å²	144.9	65%	0.645	71%	0.708	S	S	*	*			cis	-161.1	-145.8	-16.9	-159.5	-164.3	-73.3	176.4	-4.5	105.1
282	M	33.6	Very low	29.9	Very low	124 Å²	124	145.2 Å²	145.2	61%	0.611	71%	0.707	S	S	*	*			trans	73.3	153	161.8	-45.2	-40.8	-168.5	0	0	115.2
283	F	34	Very low	29.6	Very low	158 Å²	158	147.7 Å²	147.7	69%	0.693	71%	0.714	S	S	*	*			cis	-164.2	154.8	-17.9	-108.1	-17.5	0	0	0	108.5
284	D	30.2	Very low	29.3	Very low	100 Å²	100	148.3 Å²	148.3	54%	0.535	71%	0.713	S	S	.	*			cis	-158.3	179.3	-9.9	-152.3	5.7	0	0	0	112.9
285	Q	33.4	Very low	29	Very low	136 Å²	136	143.1 Å²	143.1	64%	0.636	71%	0.707	S	S	*	*			trans	16.1	147.1	146.6	-80.5	179.2	90.1	0	0	122.3
286	Q	31.3	Very low	28.8	Very low	145 Å²	145	145.3 Å²	145.3	68%	0.678	70%	0.701	S	S	*	*			cis	-161.3	162.7	25.3	-140.5	-179.2	31	0	0	116.6
287	I	26.1	Very low	28.7	Very low	149 Å²	149	147.1 Å²	147.1	76%	0.764	71%	0.71	S	S	*	*			trans	77.2	143	158.3	-54.7	-172.9	0	0	0	119.9
288	C	26.4	Very low	28.3	Very low	109 Å²	109	150.7 Å²	150.7	74%	0.736	72%	0.72	S	S	*	*			trans	-111.4	165.5	-179.5	-64.5	0	0	0	0	113.1
289	H	24.1	Very low	28.1	Very low	194 Å²	194	148.5 Å²	148.5	90%	0.898	73%	0.73	S	S	*	*				-170	-178.1	122	-104.5	-71.8	0	0	0	112.4
290	R	25.2	Very low	27.9	Very low	213 Å²	213	149.9 Å²	149.9	80%	0.804	75%	0.746	S	S	*	*			trans	-153.3	124.1	-145.2	-179	-156.2	-157.7	-172.3	12.3	116.7
291	S	25.2	Very low	27.6	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	75%	0.754	S	S	*	*			trans	-163	141.3	146	50.5	0	0	0	0	108.3
292	K	28.2	Very low	27.1	Very low	178 Å²	178	144.9 Å²	144.9	77%	0.774	76%	0.758	S	S	*	*			cis	79.9	89.3	24.3	-92.4	-157.5	172.7	-164.5	0	117.5
293	Q	25.5	Very low	26.7	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	77%	0.771	S	S	*	*				-170.1	123.1	123.6	-97.7	165.4	-6.5	0	0	106.6
294	Q	24.7	Very low	26.3	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	77%	0.77	S	S	*	*				72.1	101.4	63.1	-167.5	167.2	-2.5	0	0	111.9
295	G	25.4	Very low	26.1	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	78%	0.781	S	S	*	*			trans	-105.9	176.1	-177.6	0	0	0	0	0	113.9
296	F	23.7	Very low	26.5	Very low	170 Å²	170	143 Å²	143	75%	0.746	78%	0.783	S	S	*	*			trans	-144.7	142	174	-102.1	-86.1	0	0	0	111.2	Y298	F296-Y298 AromaticContact CD1-CE2 3.88Å; F296-Y298 HydrophobicContact CD1-CE2 3.88Å; F296-Y298 HydrophobicContact CE1-CE2 4.49Å
297	N	25.9	Very low	26.2	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	79%	0.789	S	S	*	*			trans	-82.1	142.2	160.3	-68.8	-42.5	0	0	0	109
298	Y	24.6	Very low	26.3	Very low	197 Å²	197	141.5 Å²	141.5	77%	0.773	78%	0.784	S	S	*	*			trans	-145.3	130.4	151.2	-90	-71.1	0	0	0	111.6	F296	F296-Y298 AromaticContact CD1-CE2 3.88Å; F296-Y298 HydrophobicContact CD1-CE2 3.88Å; F296-Y298 HydrophobicContact CE1-CE2 4.49Å
299	C	25.7	Very low	26.4	Very low	127 Å²	127	145 Å²	145	86%	0.858	79%	0.787	S	S	*	*			trans	-93.8	141.7	155.7	-58.3	0	0	0	0	108
300	T	25	Very low	26.7	Very low	136 Å²	136	141.4 Å²	141.4	83%	0.834	78%	0.783	S	S	*	*			trans	-150.6	129.8	161.8	24.5	0	0	0	0	110.8
301	S	24.7	Very low	26.8	Very low	122 Å²	122	138 Å²	138	85%	0.853	78%	0.779	S	S	*	*			trans	-104.6	140.1	159	-44.5	0	0	0	0	107.7
302	A	27.3	Very low	26.8	Very low	88 Å²	88	137.9 Å²	137.9	73%	0.727	78%	0.779	S	S	*	*			trans	-173.8	118.6	157.6	0	0	0	0	0	114.2
303	I	24	Very low	26.9	Very low	172 Å²	172	136 Å²	136	88%	0.882	78%	0.776	S	S	*	*				62.7	169.7	120.5	-57	161	0	0	0	117.8
304	S	25.2	Very low	27.1	Very low	95 Å²	95	136 Å²	136	66%	0.664	78%	0.779	S	S	*	*			trans	-140.4	173.4	-156.5	57.3	0	0	0	0	114.5
305	S	26.7	Very low	27.2	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	78%	0.776	S	S	*	*			trans	75.7	170.6	165.3	85.1	0	0	0	0	116.7
306	P	40.8	Very low	27.4	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	78%	0.783	S	S	*	*			cis	-141.4	-177.8	2.1	43	-24.3	0	0	0	117.6
307	L	26.7	Very low	27.6	Very low	155 Å²	155	135.3 Å²	135.3	81%	0.812	78%	0.784	S	S	*	*			trans	68.8	157	159.8	-51.9	-176.6	0	0	0	119.1
308	T	28.5	Very low	27.7	Very low	107 Å²	107	136.5 Å²	136.5	66%	0.656	78%	0.784	S	S	*	*			cis	-159.9	145.5	-17.8	19	0	0	0	0	114.8
309	K	28.5	Very low	28.4	Very low	183 Å²	183	133.3 Å²	133.3	80%	0.796	79%	0.787	S	S	*	*			trans	31.8	122.2	140.8	-63.8	176.4	179.7	177.5	0	123.2
310	S	29	Very low	28.4	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	78%	0.782	S	S	*	*				-152.4	139.8	116.4	56.1	0	0	0	0	106.7
311	I	27.9	Very low	28.6	Very low	141 Å²	141	132.4 Å²	132.4	72%	0.723	79%	0.785	S	S	*	*			cis	70.9	100.7	30.6	-52.7	-176.6	0	0	0	114.1
312	S	25.9	Very low	28.7	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	78%	0.779	S	S	*	*			trans	-146.1	148.5	138.5	-166.6	0	0	0	0	109.5
313	L	29.5	Very low	28.7	Very low	138 Å²	138	136.4 Å²	136.4	72%	0.723	79%	0.785	S	S	*	*			trans	-119.9	144.1	-178.3	-83.5	161.6	0	0	0	109.1
314	M	29.3	Very low	28.9	Very low	184 Å²	184	133.3 Å²	133.3	91%	0.906	78%	0.778	S	S	*	*			trans	-141.7	125.4	150.5	-80.7	-57.9	157.7	0	0	110.5
315	T	28.1	Very low	29.1	Very low	121 Å²	121	140 Å²	140	74%	0.742	79%	0.789	S	S	*	*			trans	-114.7	133.5	176.3	40	0	0	0	0	110
316	I	28.2	Very low	30.1	Very low	166 Å²	166	139.2 Å²	139.2	85%	0.851	78%	0.781	S	S	*	*			trans	-132	110.2	161.8	-59.9	-176.3	0	0	0	110.1
317	S	27.7	Very low	29.4	Very low	108 Å²	108	142.5 Å²	142.5	76%	0.755	79%	0.785	S	S	*	*			trans	26.9	132.5	144.9	-49.1	0	0	0	0	122.4
318	H	29.5	Very low	29.4	Very low	181 Å²	181	142.8 Å²	142.8	84%	0.838	78%	0.782	S	S	*	*			trans	-63.3	167.4	154.2	-62.2	-83	0	0	0	112.2
319	P	37.9	Very low	29.2	Very low	130 Å²	130	141.5 Å²	141.5	84%	0.844	78%	0.777	S	S	*	*				-121.5	160.8	106.6	36	-35	0	0	0	112.6
320	G	27.1	Very low	29.1	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	77%	0.768	S	S	*	*			trans	-136.8	170.7	172.5	0	0	0	0	0	111.2
321	L	29.3	Very low	28.9	Very low	172 Å²	172	141.3 Å²	141.3	90%	0.901	77%	0.77	S	S	*	*			trans	-154.7	142.9	165.2	-114.9	168.6	0	0	0	109.3
322	D	26.9	Very low	28.8	Very low	137 Å²	137	141.7 Å²	141.7	73%	0.733	77%	0.769	S	S	*	*			trans	-81.6	162.5	-166	-60.5	-88.3	0	0	0	115.2
323	N	26.5	Very low	28.8	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	77%	0.765	S	S	*	*				-161	141.1	112.6	-104.7	-52	0	0	0	115.1
324	S	28.4	Very low	28.6	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	76%	0.763	S	S	*	*			trans	46.6	102.6	155.6	59.4	0	0	0	0	121
325	R	29.6	Very low	28.5	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.891	76%	0.755	S	S	*	*			trans	-80.8	-165.1	136.3	-60	-178.8	167.2	-175.7	-2.9	108.8
326	P	47.2	Very low	28.6	Very low	94 Å²	94	136.3 Å²	136.3	61%	0.61	76%	0.756	S	S	*	*			cis	-133.4	-168.8	-10.7	19.5	7.9	0	0	0	115.1
327	F	26.1	Very low	28.7	Very low	172 Å²	172	136 Å²	136	75%	0.754	76%	0.756	S	S	*	*			trans	92.2	150.6	164.9	-54	-69	0	0	0	116.5
328	H	26.1	Very low	28.8	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.745	76%	0.762	S	S	*	*			cis	-113	-126.6	-1.1	-143.1	-59.3	0	0	0	113.8
329	S	24.6	Very low	28.8	Very low	79 Å²	79	136.1 Å²	136.1	55%	0.552	76%	0.758	S	S	*	*			trans	-169.5	149.7	-163.4	64.3	0	0	0	0	113.2
330	T	26	Very low	28.3	Very low	99 Å²	99	139 Å²	139	61%	0.607	76%	0.76	S	S	*	*			trans	64.6	119.6	146.1	-37.7	0	0	0	0	119
331	F	25.6	Very low	28.3	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.864	76%	0.76	S	S	*	*				-169.3	171.1	102.2	-104.2	-70	0	0	0	114
332	H	25.8	Very low	28.2	Very low	150 Å²	150	140.3 Å²	140.3	69%	0.694	76%	0.758	S	S	*	*			trans	-89.1	164.9	-157.2	-101	-106.5	0	0	0	116.1
333	N	24.6	Very low	28.2	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	76%	0.756	S	S	*	*				102.8	138.4	126.6	-91.8	14.8	0	0	0	124.7
334	T	26	Very low	28.3	Very low	110 Å²	110	140 Å²	140	68%	0.675	76%	0.755	S	S	*	*			trans	83.2	88.2	138.8	-55.5	0	0	0	0	121.1
335	S	27.8	Very low	28.2	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	76%	0.759	S	S	*	*				31.4	148.9	124.7	72.2	0	0	0	0	124.4
336	A	28.9	Very low	28	Very low	93 Å²	93	137 Å²	137	77%	0.769	74%	0.742	S	S	*	*			trans	112.4	131.2	131.4	0	0	0	0	0	118.8
337	N	32	Very low	27	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	76%	0.756	S	S	*	*			trans	-62.9	157.4	179	-42.7	-49.5	0	0	0	113.9
338	L	28.3	Very low	26.8	Very low	169 Å²	169	141.2 Å²	141.2	89%	0.885	75%	0.752	S	S	*	*				-150.4	161.7	118.1	-151.9	57.2	0	0	0	112.3
339	T	30.3	Very low	26.7	Very low	122 Å²	122	143.8 Å²	143.8	75%	0.748	76%	0.762	S	S	*	*			trans	-85.7	156.4	176.4	49	0	0	0	0	112.7
340	E	26.5	Very low	26.6	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	77%	0.774	S	S	*	*			trans	-149.9	160.9	147	-139.6	165.2	-137.1	0	0	112.2
341	S	28.1	Very low	26.9	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	78%	0.778	S	S	*	*			trans	-148.4	134.1	-167.8	57.5	0	0	0	0	111.8
342	I	27.1	Very low	26.7	Very low	166 Å²	166	147.3 Å²	147.3	85%	0.851	78%	0.778	S	S	*	*			trans	-134.9	155	176.6	-58.1	-178.2	0	0	0	109.6
343	T	25.8	Very low	26.5	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	78%	0.78	S	S	*	*			trans	-129	170.5	-157.6	48.9	0	0	0	0	113.9
344	E	30.2	Very low	26.8	Very low	172 Å²	172	144.9 Å²	144.9	80%	0.804	79%	0.786	S	S	*	*			trans	72.9	159.3	162.2	-43.6	-153.9	136.6	0	0	116.7
345	E	26.5	Very low	26.7	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	79%	0.787	S	S	*	*			cis	-143.4	-157.7	-0.9	-145.4	-170.6	166.2	0	0	112.5
346	N	25.2	Very low	26.6	Very low	103 Å²	103	148.6 Å²	148.6	55%	0.551	79%	0.792	S	S	*	*			trans	-124.1	137.9	-157.1	150.2	55.1	0	0	0	114.5	N348	N346-N348 PolarHBondContact OD1-ND2 3.18Å
347	Y	24.6	Very low	26.3	Very low	228 Å²	228	152 Å²	152	89%	0.894	79%	0.789	S	S	*	*			trans	-143.7	139.7	159.5	-87.2	-71.8	0	0	0	113.7
348	N	23.4	Very low	25.9	Very low	127 Å²	127	150.3 Å²	150.3	68%	0.679	78%	0.78	S	S	*	*			trans	-110.2	141.3	171.3	-79.6	-101.2	0	0	0	110	N346	N346-N348 PolarHBondContact OD1-ND2 3.18Å
349	F	23.1	Very low	25.7	Very low	216 Å²	216	148.6 Å²	148.6	95%	0.947	78%	0.782	S	S	*	*			trans	-161	153.1	144.1	-96.2	-62	0	0	0	112.2
350	L	23.5	Very low	25.3	Very low	153 Å²	153	149.8 Å²	149.8	80%	0.801	78%	0.78	S	S	*	*			trans	-116.7	148.7	174.8	-122.2	167.4	0	0	0	107.7
351	P	31.5	Very low	25.2	Very low	107 Å²	107	151.7 Å²	151.7	70%	0.695	78%	0.779	S	S	*	*				-153.9	156.5	114.2	36.1	-18.1	0	0	0	118
352	H	22.3	Very low	25	Very low	188 Å²	188	153 Å²	153	87%	0.87	77%	0.771	S	S	*	*			trans	57.7	141.2	144.1	-81.2	-71.4	0	0	0	124.3
353	S	21.8	Very low	24.9	Very low	104 Å²	104	151 Å²	151	73%	0.727	77%	0.772	S	S	*	*			trans	-123.9	157.2	167	56.1	0	0	0	0	111.3
354	P	30.5	Very low	24.9	Very low	132 Å²	132	149.4 Å²	149.4	86%	0.857	78%	0.778	S	S	*	*			trans	-117.3	-178.6	159.1	36.6	-26.2	0	0	0	112.9
355	S	22.9	Very low	24.7	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	78%	0.78	S	S	*	*			trans	-122.1	174.7	-159.8	60.4	0	0	0	0	115
356	K	26.4	Very low	24.9	Very low	195 Å²	195	149.2 Å²	149.2	85%	0.848	78%	0.783	S	S	*	*			trans	97.2	155.3	166.4	-59.3	164	-175.1	174	0	116.3
357	K	22.5	Very low	24.9	Very low	163 Å²	163	150.4 Å²	150.4	71%	0.709	79%	0.794	S	S	*	*			cis	-170.4	146.8	-31.1	-170.8	168	-170.1	-75.1	0	108.3
358	D	23.7	Very low	25	Very low	126 Å²	126	145 Å²	145	67%	0.674	79%	0.79	S	S	*	*			trans	27.4	125.4	164.7	-48.6	-13.8	0	0	0	121.7
359	S	24.2	Very low	25.2	Very low	132 Å²	132	150.2 Å²	150.2	92%	0.923	80%	0.8	S	S	*	*				-165.8	155.9	123.6	31.4	0	0	0	0	111.6
360	E	22.5	Very low	25.6	Very low	148 Å²	148	146.6 Å²	146.6	69%	0.692	80%	0.795	S	S	*	*			trans	-129.3	127.4	-169	-176.3	-158.7	151.4	0	0	111	K362	E360-K362 VanDerWaalsContact OE1-CE 3.31Å; E360-K362 WeakPolarHBondContact OE1-CE 3.39Å; E360-K362 IonicContact OE1-NZ 2.55Å; E360-K362 PolarHBondContact OE1-NZ 3.43Å
361	W	23.4	Very low	25.7	Very low	231 Å²	231	147.2 Å²	147.2	88%	0.875	79%	0.792	S	S	*	*			trans	-144.4	161.5	153.8	-172.2	-112	0	0	0	112
362	K	25	Very low	25.5	Very low	134 Å²	134	148 Å²	148	58%	0.583	80%	0.8	S	S	*	*			trans	-116.9	131.7	-162.4	-59.5	172.7	173.6	77.8	0	112.3	E360	E360-K362 VanDerWaalsContact OE1-CE 3.31Å; E360-K362 WeakPolarHBondContact OE1-CE 3.39Å; E360-K362 IonicContact OE1-NZ 2.55Å; E360-K362 PolarHBondContact OE1-NZ 3.43Å
363	S	24.6	Very low	25.8	Very low	123 Å²	123	148.8 Å²	148.8	86%	0.86	80%	0.797	S	S	*	*			trans	-146.6	127	149	53.8	0	0	0	0	108.2
364	G	24.8	Very low	26.2	Very low	81 Å²	81	151.1 Å²	151.1	84%	0.835	80%	0.8	S	S	*	*			trans	-112.3	125.7	-168.7	0	0	0	0	0	113
365	T	26.6	Very low	26.1	Very low	137 Å²	137	154.7 Å²	154.7	84%	0.84	80%	0.802	S	S	*	*			trans	-132.8	153.2	168	-36.1	0	0	0	0	109.6
366	K	30.4	Very low	26.4	Very low	206 Å²	206	157.9 Å²	157.9	90%	0.896	81%	0.811	S	S	*	*			trans	-76	131.7	-174.3	-58.8	167.5	-173	168.3	0	110.4
367	V	25.2	Very low	26.5	Very low	128 Å²	128	158.2 Å²	158.2	78%	0.776	81%	0.812	S	S	*	*			trans	-124	128.5	174	177.9	0	0	0	0	109.6
368	S	26	Very low	26.5	Very low	115 Å²	115	159.8 Å²	159.8	80%	0.804	82%	0.824	S	S	*	*			trans	-65.6	136.1	175	-61.5	0	0	0	0	111
369	R	29.2	Very low	26.8	Very low	237 Å²	237	159.1 Å²	159.1	89%	0.894	83%	0.83	S	S	*	*			trans	-107.3	89.6	-175.6	-70.3	-177.2	177	173.2	-2.4	112.2
370	T	30.6	Very low	26.8	Very low	139 Å²	139	158.8 Å²	158.8	85%	0.853	83%	0.827	S	S	*	*			trans	-77.4	135.9	160.9	-16.1	0	0	0	0	109
371	F	26	Very low	27.1	Very low	166 Å²	166	157.7 Å²	157.7	73%	0.728	84%	0.836	S	S	*	*			trans	-81.5	132.4	-173.6	-118.3	-103.7	0	0	0	112.1	I374	F371-I374 HydrophobicContact CD1-CD1 4.24Å; F371-I374 HydrophobicContact CE1-CD1 4.31Å
372	S	26.5	Very low	27.7	Very low	123 Å²	123	156.3 Å²	156.3	86%	0.86	84%	0.836	S	S	*	*			trans	-137.4	51.3	164.4	-75.6	0	0	0	0	110.2
373	Y	29.5	Very low	28.2	Very low	205 Å²	205	159.9 Å²	159.9	80%	0.804	85%	0.852	S	S	*	*			trans	-132.9	35.7	-177.6	-145.3	-91.4	0	0	0	114
374	I	29.6	Very low	28.6	Very low	154 Å²	154	159.7 Å²	159.7	79%	0.79	85%	0.851	S	S	*	*			trans	-139.4	83.5	154.7	-65	93.9	0	0	0	108.3	F371	F371-I374 HydrophobicContact CD1-CD1 4.24Å; F371-I374 HydrophobicContact CE1-CD1 4.31Å
375	K	28.4	Very low	29	Very low	207 Å²	207	165.1 Å²	165.1	90%	0.9	85%	0.851	S	S	*	*	S	Bend	trans	-156.6	47	155.3	-156	-173.3	177.3	179.7	0	112.6
376	N	28.3	Very low	29.4	Very low	166 Å²	166	166.8 Å²	166.8	89%	0.888	85%	0.849	S	S	*	*	S	Bend	trans	-155.4	72.1	161.5	-129.5	-16.4	0	0	0	113
377	K	29.2	Very low	29.5	Very low	202 Å²	202	165.5 Å²	165.5	88%	0.878	84%	0.844	S	S	*	*			trans	-172	103	165.5	-110.6	168.5	-174.5	166.7	0	108.2
378	M	23.7	Very low	30.1	Very low	195 Å²	195	166.2 Å²	166.2	96%	0.961	84%	0.839	S	S	*	*			trans	165.5	57.6	155.5	-85.3	-80.5	-170.1	0	0	108.6
379	S	28.3	Very low	30.5	Very low	112 Å²	112	169.5 Å²	169.5	78%	0.783	84%	0.838	S	S	*	*			trans	-145.4	147.6	166.8	-67.9	0	0	0	0	108.7
380	S	25.3	Very low	31	Very low	125 Å²	125	164.5 Å²	164.5	87%	0.874	83%	0.825	S	S	*	*			trans	66	103	-172.8	74.9	0	0	0	0	116
381	S	28	Very low	31.5	Very low	125 Å²	125	164.4 Å²	164.4	87%	0.874	81%	0.813	S	S	*	*			trans	-106.1	52.5	178	45.3	0	0	0	0	112.3
382	K	36.9	Very low	32.2	Very low	202 Å²	202	160.2 Å²	160.2	88%	0.878	80%	0.798	S	S	*	*			trans	-154.5	50.5	-178.3	-128.9	167.7	-171.6	174.4	0	118.1
383	K	36	Very low	32.9	Very low	210 Å²	210	162 Å²	162	91%	0.913	79%	0.79	S	S	*	*			trans	-169.5	105.3	153.1	-114.1	176.5	-178.2	-176.5	0	112.2
384	S	32.4	Very low	33.9	Very low	119 Å²	119	157.1 Å²	157.1	83%	0.832	78%	0.777	S	S	*	*			trans	-144.9	87.8	-178.4	53.8	0	0	0	0	112.3
385	K	32.1	Very low	34.5	Very low	194 Å²	194	155.4 Å²	155.4	84%	0.843	76%	0.764	S	S	*	*	S	Bend	trans	-154.3	-24	165	-143.7	166.3	-174.4	173.7	0	115.4
386	E	35.7	Very low	35.2	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	75%	0.754	S	S	*	*	S	Bend	trans	-85.9	-39.7	177.6	-72.8	175.1	110.7	0	0	114	E388	E386-E388 PolarHBondContact O-N 2.79Å
387	K	33.1	Very low	35.7	Very low	179 Å²	179	152.8 Å²	152.8	78%	0.778	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	1.8	-171.7	-101.9	178.2	178.3	170.7	0	116.4
388	E	37.6	Very low	36.5	Very low	143 Å²	143	149.6 Å²	149.6	67%	0.668	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-46.6	-178.4	-161	150.7	-129.3	0	0	111.5	E386 E390 K391	E386-E388 PolarHBondContact O-N 2.79Å; E388-E390 PolarHBondContact O-N 2.8Å; E388-E390 VanDerWaalsContact O-N 3.15Å; E388-K391 WeakPolarHBondContact O-CB 3.41Å; E388-K391 PolarHBondContact O-N 3.38Å
389	K	34.1	Very low	37.1	Very low	183 Å²	183	148 Å²	148	80%	0.796	72%	0.723	S	S	*	*	H	α-helix	trans	-62.5	-23.6	-178.9	-71.8	-175.2	175.4	-179.4	0	114.7
390	E	40.2	Very low	37.4	Very low	132 Å²	132	148.3 Å²	148.3	62%	0.617	72%	0.716	S	S	*	*	H	α-helix	trans	-79.6	-33	176.4	-171.8	175.1	-148.7	0	0	112.1	E388 D392	E388-E390 PolarHBondContact O-N 2.8Å; E388-E390 VanDerWaalsContact O-N 3.15Å; E390-D392 PolarHBondContact O-N 2.87Å
391	K	40.7	Very low	38.1	Very low	137 Å²	137	146 Å²	146	60%	0.596	70%	0.7	S	S	*	*	H	α-helix	trans	-71.1	-32.4	-170.6	-164.5	178.5	-179.1	-173	0	113	E388	E388-K391 WeakPolarHBondContact O-CB 3.41Å; E388-K391 PolarHBondContact O-N 3.38Å
392	D	40.1	Very low	38.6	Very low	78 Å²	78	147.7 Å²	147.7	42%	0.417	69%	0.691	S	S	.	*	H	α-helix	trans	-79.1	-31.3	-178.9	-66.9	-36.5	0	0	0	113	E390 I394 K395 E396	E390-D392 PolarHBondContact O-N 2.87Å; D392-I394 PolarHBondContact O-N 3.13Å; D392-I394 VanDerWaalsContact O-N 3.17Å; D392-K395 PolarHBondContact O-N 3.48Å; D392-K395 VanDerWaalsContact O-N 3.13Å; D392-K395 WeakPolarHBondContact OD1-CD 3.48Å; D392-K395 VanDerWaalsContact OD1-CE 3.32Å; D392-K395 WeakPolarHBondContact OD1-CE 3.35Å; D392-K395 IonicContact OD1-NZ 2.71Å; D392-K395 PolarHBondContact OD1-NZ 3.06Å; D392-E396 PolarHBondContact O-N 3.19Å
393	K	41.6	Very low	38.6	Very low	161 Å²	161	142.8 Å²	142.8	70%	0.7	68%	0.675	S	S	*	*	H	α-helix	trans	-61.5	-22.1	171.7	-72.7	-173.2	174.4	-177	0	113.5
394	I	50.3	Low	38.6	Very low	102 Å²	102	140.7 Å²	140.7	52%	0.523	67%	0.666	S	S	.	*	H	α-helix	trans	-83	-39.6	176.1	-61.8	172.2	0	0	0	110.6	D392 E396 K397 E398	D392-I394 PolarHBondContact O-N 3.13Å; D392-I394 VanDerWaalsContact O-N 3.17Å; I394-E396 VanDerWaalsContact C-N 3.34Å; I394-E396 PolarHBondContact O-N 3.36Å; I394-K397 PolarHBondContact O-N 2.66Å; I394-E398 PolarHBondContact O-N 2.95Å
395	K	42	Very low	39	Very low	119 Å²	119	142.9 Å²	142.9	52%	0.517	66%	0.663	S	S	.	*	H	α-helix	trans	-61.6	-36.3	179.4	-68.2	176.1	-171.6	161.4	0	113.5	D392 K399	D392-K395 PolarHBondContact O-N 3.48Å; D392-K395 VanDerWaalsContact O-N 3.13Å; D392-K395 WeakPolarHBondContact OD1-CD 3.48Å; D392-K395 VanDerWaalsContact OD1-CE 3.32Å; D392-K395 WeakPolarHBondContact OD1-CE 3.35Å; D392-K395 IonicContact OD1-NZ 2.71Å; D392-K395 PolarHBondContact OD1-NZ 3.06Å; K395-K399 PolarHBondContact O-N 3.46Å
396	E	43.2	Very low	39.3	Very low	147 Å²	147	140.6 Å²	140.6	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-63.3	-42.8	176.5	-72	-169.3	121.2	0	0	111.6	D392 I394 E398 K399 D400	D392-E396 PolarHBondContact O-N 3.19Å; I394-E396 VanDerWaalsContact C-N 3.34Å; I394-E396 PolarHBondContact O-N 3.36Å; E396-E398 PolarHBondContact O-N 3.45Å; E396-K399 WeakPolarHBondContact O-CB 3.26Å; E396-K399 PolarHBondContact O-N 3.34Å; E396-D400 PolarHBondContact O-N 3.12Å
397	K	40.1	Very low	39.8	Very low	170 Å²	170	135.1 Å²	135.1	74%	0.739	63%	0.629	S	S	*	*	H	α-helix	trans	-66	-36.6	-179.7	-82.3	-172.8	171.5	-178	0	113.9	I394 K399	I394-K397 PolarHBondContact O-N 2.66Å; K397-K399 VanDerWaalsContact C-N 3.29Å; K397-K399 PolarHBondContact O-N 3.25Å
398	E	44.3	Very low	40.8	Very low	136 Å²	136	135.7 Å²	135.7	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-67.6	-29.8	175.2	-74.9	-164.7	115.5	0	0	112.6	I394 E396 S401	I394-E398 PolarHBondContact O-N 2.95Å; E396-E398 PolarHBondContact O-N 3.45Å; E398-S401 PolarHBondContact O-OG 2.74Å
399	K	37	Very low	41.8	Very low	161 Å²	161	137.2 Å²	137.2	70%	0.7	64%	0.636	S	S	*	*	H	α-helix	trans	-67.6	-46.3	-179.4	-160.1	177.4	-179.5	-174.1	0	111.6	K395 E396 K397 S401 K402	K395-K399 PolarHBondContact O-N 3.46Å; E396-K399 WeakPolarHBondContact O-CB 3.26Å; E396-K399 PolarHBondContact O-N 3.34Å; K397-K399 VanDerWaalsContact C-N 3.29Å; K397-K399 PolarHBondContact O-N 3.25Å; K399-S401 VanDerWaalsContact C-N 3.33Å; K399-S401 PolarHBondContact O-N 3.01Å; K399-K402 PolarHBondContact O-N 2.8Å
400	D	35.7	Very low	43.3	Very low	118 Å²	118	133 Å²	133	63%	0.631	63%	0.626	S	S	*	*	H	α-helix	trans	-66.1	-29.2	-179.9	-99.9	19.6	0	0	0	114.2	E396 K402	E396-D400 PolarHBondContact O-N 3.12Å; D400-K402 VanDerWaalsContact C-N 3.34Å
401	S	39.6	Very low	44.7	Very low	78 Å²	78	128.5 Å²	128.5	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-69.7	-30.5	175.1	62.8	0	0	0	0	113.1	E398 K399	E398-S401 PolarHBondContact O-OG 2.74Å; K399-S401 VanDerWaalsContact C-N 3.33Å; K399-S401 PolarHBondContact O-N 3.01Å
402	K	37.2	Very low	46.1	Very low	159 Å²	159	125.9 Å²	125.9	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-84.6	-22.8	-166	-162.1	166.6	-172.6	168.8	0	114.7	K399 D400	K399-K402 PolarHBondContact O-N 2.8Å; D400-K402 VanDerWaalsContact C-N 3.34Å
403	D	37.7	Very low	47.8	Very low	100 Å²	100	123.8 Å²	123.8	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-85.9	-16.9	175.6	-86.8	-29.9	0	0	0	113.7	E405 K406	D403-E405 VanDerWaalsContact C-N 3.31Å; D403-E405 PolarHBondContact O-N 3.37Å; D403-K406 IonicContact OD1-NZ 2.6Å; D403-K406 PolarHBondContact OD1-NZ 2.92Å
404	K	36.3	Very low	49.7	Very low	166 Å²	166	116.4 Å²	116.4	72%	0.722	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-14.5	179.1	-71.6	179.8	179.6	172.1	0	114.7
405	E	39.8	Very low	51.4	Low	165 Å²	165	114.2 Å²	114.2	77%	0.771	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-22.8	-176.9	-162.2	172.9	-165	0	0	113.7	D403 D407	D403-E405 VanDerWaalsContact C-N 3.31Å; D403-E405 PolarHBondContact O-N 3.37Å; E405-D407 PolarHBondContact O-N 2.85Å
406	K	39.3	Very low	53.5	Low	145 Å²	145	109.3 Å²	109.3	63%	0.63	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-72.2	-22.7	-172.3	-71.8	175.4	-172.6	151.5	0	115.4	D403 K408	D403-K406 IonicContact OD1-NZ 2.6Å; D403-K406 PolarHBondContact OD1-NZ 2.92Å; K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.43Å
407	D	45	Very low	55.5	Low	58 Å²	58	104.9 Å²	104.9	31%	0.31	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-76.1	-6.5	-167.7	-99.6	-49.1	0	0	0	115	E405 K409 R454	E405-D407 PolarHBondContact O-N 2.85Å; D407-K409 PolarHBondContact O-N 2.94Å; D407-R454 IonicContact OD1-CZ 3.18Å; D407-R454 IonicContact OD1-NH1 2.69Å; D407-R454 PolarHBondContact OD1-NH1 3.29Å; D407-R454 IonicContact OD1-NH2 2.74Å; D407-R454 PolarHBondContact OD1-NH2 3.29Å
408	K	55.2	Low	57.7	Low	192 Å²	192	99.4 Å²	99.4	84%	0.835	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-89.3	19.7	-176.4	-68.5	-174.8	178.2	177.8	0	115.6	K406	K406-K408 VanDerWaalsContact C-N 3.28Å; K406-K408 PolarHBondContact O-N 3.43Å
409	K	57.4	Low	59.4	Low	174 Å²	174	96.3 Å²	96.3	76%	0.757	49%	0.49	S	S	*	.			trans	-88.1	126.2	179.4	-155.1	174.1	-173.8	-178.5	0	110.9	D407	D407-K409 PolarHBondContact O-N 2.94Å
410	T	66.3	Low	61.3	Low	94 Å²	94	93.2 Å²	93.2	58%	0.577	49%	0.487	S	S	*	.			trans	-72.1	136.4	178.1	42.8	0	0	0	0	111.6	H414 T415	T410-H414 WeakPolarHBondContact CA-O 3.4Å; T410-T415 HydrophobicContact CG2-CG2 4.34Å
411	V	69.9	Low	63	Low	39 Å²	39	88.8 Å²	88.8	24%	0.236	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-134.9	126.7	-176.1	178.9	0	0	0	0	109.1	G413 H414 E455	V411-G413 PolarHBondContact O-N 3.29Å; V411-H414 PolarHBondContact N-O 2.95Å; V411-H414 VanDerWaalsContact N-O 3.09Å; V411-H414 WeakPolarHBondContact O-CB 3.18Å; V411-H414 PolarHBondContact O-N 3.32Å; V411-E455 HydrophobicContact CG1-CG 4.33Å
412	N	70.5	Confident	63.8	Low	81 Å²	81	92.1 Å²	92.1	43%	0.433	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.8	-177.6	-57.8	-11.3	0	0	0	114.5	H414 E455 L457 S459 C460	N412-H414 VanDerWaalsContact C-N 3.3Å; N412-E455 PolarHBondContact ND2-O 2.95Å; N412-E455 VanDerWaalsContact ND2-O 3.15Å; N412-L457 PolarHBondContact ND2-O 3Å; N412-S459 VanDerWaalsContact O-CA 3.25Å; N412-S459 WeakPolarHBondContact O-CA 3.35Å; N412-C460 PolarHBondContact O-N 2.91Å
413	G	75.4	Confident	65.1	Low	35 Å²	35	86.7 Å²	86.7	36%	0.361	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	2.9	-175.8	0	0	0	0	0	115.1	V411 C460	V411-G413 PolarHBondContact O-N 3.29Å; G413-C460 VanDerWaalsContact O-CB 3.28Å; G413-C460 WeakPolarHBondContact O-CB 3.47Å
414	H	81.1	Confident	66.4	Low	6 Å²	6	88.4 Å²	88.4	3%	0.028	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-93	144.4	174.2	-61.9	-82	0	0	0	111.7	T410 V411 N412 F416 C442 C445 A458 C460	T410-H414 WeakPolarHBondContact CA-O 3.4Å; V411-H414 PolarHBondContact N-O 2.95Å; V411-H414 VanDerWaalsContact N-O 3.09Å; V411-H414 WeakPolarHBondContact O-CB 3.18Å; V411-H414 PolarHBondContact O-N 3.32Å; N412-H414 VanDerWaalsContact C-N 3.3Å; H414-F416 HydrophobicContact CB-CD2 3.98Å; H414-F416 HydrophobicContact CB-CE1 4.28Å; H414-F416 HydrophobicContact CB-CE2 3.42Å; H414-F416 VanDerWaalsContact CB-CE2 3.42Å; H414-F416 HydrophobicContact CB-CZ 3.59Å; H414-F416 AromaticContact CG-CZ 3.85Å; H414-C442 HydrophobicContact CB-CB 4.17Å; H414-C442 VanDerWaalsContact CB-SG 3.54Å; H414-C442 PolarHBondContact ND1-SG 2.99Å; H414-C445 PolarHBondContact CE1-SG 2.9Å; H414-C445 PolarHBondContact ND1-SG 3.18Å; H414-C445 VanDerWaalsContact ND1-SG 3.37Å; H414-A458 PolarHBondContact NE2-O 3.14Å; H414-C460 PolarHBondContact NE2-N 3.4Å
415	T	85.5	Confident	68.3	Low	56 Å²	56	83.4 Å²	83.4	34%	0.344	47%	0.467	S	S	.	.			trans	-115.5	100.7	172.5	-43.9	0	0	0	0	108.1	T410 C442 A443 N444	T410-T415 HydrophobicContact CG2-CG2 4.34Å; T415-C442 CarbonylContact O-C 3.55Å; T415-C442 WeakPolarHBondContact O-CA 3.27Å; T415-A443 PolarHBondContact O-N 3.02Å; T415-N444 WeakPolarHBondContact CB-OD1 3.19Å; T415-N444 PolarHBondContact OG1-OD1 2.84Å
416	F	86.7	Confident	70.5	Confident	16 Å²	16	77.8 Å²	77.8	7%	0.07	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.8	-172.9	-69.3	-73	0	0	0	113.1	H414 T441 C442 V449 R454 L457	H414-F416 HydrophobicContact CB-CD2 3.98Å; H414-F416 HydrophobicContact CB-CE1 4.28Å; H414-F416 HydrophobicContact CB-CE2 3.42Å; H414-F416 VanDerWaalsContact CB-CE2 3.42Å; H414-F416 HydrophobicContact CB-CZ 3.59Å; H414-F416 AromaticContact CG-CZ 3.85Å; F416-T441 CarbonylContact C-O 3.6Å; F416-T441 VanDerWaalsContact CA-O 3.3Å; F416-T441 WeakPolarHBondContact CA-O 3.42Å; F416-C442 HydrophobicContact CD1-CB 3.95Å; F416-C442 HydrophobicContact CE1-CB 3.75Å; F416-C442 HydrophobicContact CZ-CB 4.47Å; F416-V449 HydrophobicContact CD1-CG2 3.95Å; F416-V449 HydrophobicContact CE1-CG2 3.4Å; F416-V449 VanDerWaalsContact CE1-CG2 3.4Å; F416-V449 HydrophobicContact CZ-CG2 3.87Å; F416-R454 HydrophobicContact CD2-CB 4.05Å; F416-R454 HydrophobicContact CD2-CG 4.14Å; F416-R454 HydrophobicContact CE2-CB 3.83Å; F416-R454 HydrophobicContact CE2-CG 4.26Å; F416-R454 HydrophobicContact CG-CG 4.34Å; F416-R454 HydrophobicContact CZ-CB 4.35Å; F416-L457 HydrophobicContact CE1-CD2 4.29Å; F416-L457 HydrophobicContact CZ-CD2 3.83Å
417	S	85.9	Confident	72.8	Confident	53 Å²	53	70.9 Å²	70.9	37%	0.371	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.6	169.5	50.7	0	0	0	0	110.8	Y440 T441	S417-Y440 VanDerWaalsContact O-CA 3.32Å; S417-Y440 WeakPolarHBondContact O-CA 3.44Å; S417-T441 PolarHBondContact N-O 3.21Å; S417-T441 PolarHBondContact O-N 2.77Å
418	S	84.9	Confident	74.7	Confident	56 Å²	56	71 Å²	71	39%	0.392	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.5	173.9	-147.1	0	0	0	0	109.4	Y440	S418-Y440 WeakPolarHBondContact OG-CE1 3.39Å; S418-Y440 VanDerWaalsContact OG-CZ 3.27Å; S418-Y440 PolarHBondContact OG-OH 2.87Å
419	I	81.3	Confident	76.2	Confident	70 Å²	70	65.5 Å²	65.5	36%	0.359	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.6	173.7	-60.9	-170.2	0	0	0	108.5	V421 A439 T441	I419-V421 PolarHBondContact O-N 3.23Å; I419-A439 PolarHBondContact N-O 3.08Å; I419-A439 PolarHBondContact O-N 3.02Å; I419-T441 HydrophobicContact CD1-CG2 3.46Å; I419-T441 VanDerWaalsContact CD1-CG2 3.46Å; I419-T441 HydrophobicContact CG1-CG2 4.09Å
420	P	77.5	Confident	77.6	Confident	97 Å²	97	59.7 Å²	59.7	63%	0.63	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	119.6	171.1	28.2	-33.6	0	0	0	109.8	K437	P420-K437 CarbonylContact C-O 3.59Å; P420-K437 VanDerWaalsContact CA-O 3.3Å; P420-K437 WeakPolarHBondContact CA-O 3.44Å
421	V	70.9	Confident	78.3	Confident	25 Å²	25	61.8 Å²	61.8	15%	0.152	38%	0.384	C	S	.	.			trans	-96	132.9	179.9	165.9	0	0	0	0	110.9	I419 I425 K437 A439 F448	I419-V421 PolarHBondContact O-N 3.23Å; V421-I425 HydrophobicContact CG1-CB 4.13Å; V421-I425 HydrophobicContact CG1-CD1 3.72Å; V421-I425 HydrophobicContact CG1-CG1 3.89Å; V421-I425 HydrophobicContact CG2-CD1 4.35Å; V421-K437 PolarHBondContact N-O 2.86Å; V421-A439 HydrophobicContact CB-CB 4.27Å; V421-A439 HydrophobicContact CG2-CB 3.52Å; V421-F448 HydrophobicContact CG2-CD1 4.33Å; V421-F448 HydrophobicContact CG2-CE1 4.31Å
422	V	55.4	Low	79	Confident	148 Å²	148	66.9 Å²	66.9	90%	0.897	40%	0.403	S	S	*	.			trans	-122.6	101.6	172.5	-176.9	0	0	0	0	107.9
423	G	64.1	Low	79.5	Confident	44 Å²	44	66.7 Å²	66.7	45%	0.454	41%	0.406	S	S	.	.	S	Bend	trans	139.6	163.3	-178.8	0	0	0	0	0	112.8	I425	G423-I425 PolarHBondContact O-N 3.12Å
424	P	66.1	Low	79.7	Confident	136 Å²	136	66.4 Å²	66.4	88%	0.883	40%	0.395	S	S	*	.			trans	-78.9	56.1	-175.2	34.5	-37.4	0	0	0	112.7
425	I	76.5	Confident	79.2	Confident	61 Å²	61	72.3 Å²	72.3	31%	0.313	43%	0.432	S	S	.	.			trans	-76	141.9	174.2	-51.5	-173.5	0	0	0	109.1	V421 G423 P433 F434 F448	V421-I425 HydrophobicContact CG1-CB 4.13Å; V421-I425 HydrophobicContact CG1-CD1 3.72Å; V421-I425 HydrophobicContact CG1-CG1 3.89Å; V421-I425 HydrophobicContact CG2-CD1 4.35Å; G423-I425 PolarHBondContact O-N 3.12Å; I425-P433 WeakPolarHBondContact O-CA 3.4Å; I425-F434 HydrophobicContact CB-CD2 4.17Å; I425-F434 HydrophobicContact CB-CE2 4.44Å; I425-F434 HydrophobicContact CG2-CD2 4.32Å; I425-F434 HydrophobicContact CG2-CE2 4.08Å; I425-F434 VanDerWaalsContact O-CD2 3.24Å; I425-F434 WeakPolarHBondContact O-CD2 3.35Å; I425-F434 PolarHBondContact O-N 2.63Å; I425-F448 HydrophobicContact CD1-CE2 4.41Å; I425-F448 HydrophobicContact CD1-CZ 4.34Å; I425-F448 HydrophobicContact CG2-CB 4.17Å; I425-F448 HydrophobicContact CG2-CD2 3.98Å; I425-F448 HydrophobicContact CG2-CG 4.07Å
426	S	85.4	Confident	78.1	Confident	48 Å²	48	76 Å²	76	34%	0.336	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-105.1	148.2	174	58	0	0	0	0	112.5	S428 M431 K432	S426-S428 PolarHBondContact O-N 3.47Å; S426-M431 WeakPolarHBondContact CB-O 3.39Å; S426-K432 WeakPolarHBondContact CA-O 3.46Å
427	C	88.6	Confident	76.9	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	48%	0.482	C	S	.	.			trans	-72.5	117.6	178.8	165.8	0	0	0	0	110.8	Q429 C430 M431 K432 F434 F448 H450	C427-Q429 PolarHBondContact O-N 3.14Å; C427-C430 PolarHBondContact O-N 2.82Å; C427-C430 PolarHBondContact SG-SG 2.94Å; C427-M431 WeakPolarHBondContact O-CA 3.41Å; C427-M431 PolarHBondContact O-N 3.47Å; C427-K432 PolarHBondContact N-O 3.3Å; C427-F434 HydrophobicContact CB-CE1 4.21Å; C427-F434 HydrophobicContact CB-CE2 4.25Å; C427-F434 HydrophobicContact CB-CZ 3.76Å; C427-F448 CarbonylContact C-O 3.48Å; C427-F448 WeakPolarHBondContact CA-O 3.45Å; C427-H450 VanDerWaalsContact CB-CE1 3.41Å; C427-H450 WeakPolarHBondContact CB-CE1 3.39Å; C427-H450 WeakPolarHBondContact CB-ND1 3.42Å; C427-H450 PolarHBondContact SG-N 2.92Å; C427-H450 VanDerWaalsContact SG-N 3.4Å; C427-H450 PolarHBondContact SG-ND1 3.22Å; C427-H450 VanDerWaalsContact SG-ND1 3.4Å
428	S	84.8	Confident	76.4	Confident	60 Å²	60	85.5 Å²	85.5	42%	0.42	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.1	-172.3	-48.2	0	0	0	0	115.5	S426 F448	S426-S428 PolarHBondContact O-N 3.47Å; S428-F448 PolarHBondContact N-O 2.72Å; S428-F448 PolarHBondContact OG-N 3.23Å; S428-F448 PolarHBondContact OG-O 3.14Å
429	Q	85.3	Confident	76.3	Confident	77 Å²	77	82.8 Å²	82.8	36%	0.36	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-19.5	177.6	-176	53.4	37.1	0	0	114.4	C427 V449 C453 S456 L457	C427-Q429 PolarHBondContact O-N 3.14Å; Q429-V449 HydrophobicContact CB-CG1 4.24Å; Q429-C453 HydrophobicContact CB-CB 4.08Å; Q429-C453 HydrophobicContact CG-CB 4.26Å; Q429-S456 PolarHBondContact NE2-O 3.21Å; Q429-S456 PolarHBondContact OE1-O 2.97Å; Q429-L457 HydrophobicContact CB-CD1 4.06Å
430	C	86.4	Confident	76.6	Confident	52 Å²	52	80.2 Å²	80.2	35%	0.351	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	3	-175.4	72	0	0	0	0	114.8	C427 K432	C427-C430 PolarHBondContact O-N 2.82Å; C427-C430 PolarHBondContact SG-SG 2.94Å; C430-K432 PolarHBondContact O-N 3.07Å
431	M	82.9	Confident	77.1	Confident	138 Å²	138	76.2 Å²	76.2	68%	0.68	43%	0.43	S	S	*	.			trans	55.6	1.4	176.8	-53.6	-54.8	-74.6	0	0	116.9	S426 C427	S426-M431 WeakPolarHBondContact CB-O 3.39Å; C427-M431 WeakPolarHBondContact O-CA 3.41Å; C427-M431 PolarHBondContact O-N 3.47Å
432	K	84.4	Confident	77.8	Confident	146 Å²	146	75 Å²	75	64%	0.635	42%	0.422	S	S	*	.			trans	-76.1	142.5	173.4	-64.8	-175.8	-179	-173.9	0	111.1	S426 C427 C430	S426-K432 WeakPolarHBondContact CA-O 3.46Å; C427-K432 PolarHBondContact N-O 3.3Å; C430-K432 PolarHBondContact O-N 3.07Å
433	P	79.9	Confident	79.1	Confident	77 Å²	77	71.6 Å²	71.6	50%	0.5	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-67.1	153	175.6	29.3	-35.4	0	0	0	111.9	I425 T435	I425-P433 WeakPolarHBondContact O-CA 3.4Å; P433-T435 PolarHBondContact O-N 3.34Å
434	F	79.4	Confident	79.9	Confident	28 Å²	28	72.6 Å²	72.6	12%	0.123	40%	0.404	C	S	.	.			trans	-71.9	108.7	174.5	-68.7	-80.3	0	0	0	111	I425 C427 A439 F448 H450	I425-F434 HydrophobicContact CB-CD2 4.17Å; I425-F434 HydrophobicContact CB-CE2 4.44Å; I425-F434 HydrophobicContact CG2-CD2 4.32Å; I425-F434 HydrophobicContact CG2-CE2 4.08Å; I425-F434 VanDerWaalsContact O-CD2 3.24Å; I425-F434 WeakPolarHBondContact O-CD2 3.35Å; I425-F434 PolarHBondContact O-N 2.63Å; C427-F434 HydrophobicContact CB-CE1 4.21Å; C427-F434 HydrophobicContact CB-CE2 4.25Å; C427-F434 HydrophobicContact CB-CZ 3.76Å; F434-A439 HydrophobicContact CD1-CB 3.68Å; F434-A439 HydrophobicContact CD2-CB 4.15Å; F434-A439 HydrophobicContact CE1-CB 3.51Å; F434-A439 HydrophobicContact CE2-CB 4.03Å; F434-A439 HydrophobicContact CG-CB 4.02Å; F434-A439 HydrophobicContact CZ-CB 3.72Å; F434-F448 HydrophobicContact CE2-CB 3.82Å; F434-F448 HydrophobicContact CZ-CB 3.92Å; F434-H450 AromaticContact CD1-CD2 3.41Å; F434-H450 VanDerWaalsContact CD1-CD2 3.41Å; F434-H450 WeakPolarHBondContact CD1-CD2 2.99Å; F434-H450 AromaticContact CD1-NE2 3.47Å; F434-H450 WeakPolarHBondContact CD1-NE2 3.46Å; F434-H450 AromaticContact CE1-CD2 3.51Å; F434-H450 AromaticContact CE1-CG 3.92Å; F434-H450 AromaticContact CE1-NE2 3.82Å
435	T	70.7	Confident	80.7	Confident	130 Å²	130	68.1 Å²	68.1	80%	0.798	38%	0.376	S	S	*	.			trans	-88.1	-12.9	176.9	55.3	0	0	0	0	113.8	P433	P433-T435 PolarHBondContact O-N 3.34Å
436	N	62.8	Low	80.9	Confident	133 Å²	133	69 Å²	69	71%	0.711	39%	0.387	S	S	*	.	S	Bend	trans	-114.1	152.8	172.5	-95.3	-39.1	0	0	0	109.7	D438	N436-D438 VanDerWaalsContact C-N 3.26Å; N436-D438 PolarHBondContact O-N 3.5Å
437	K	62.1	Low	80.8	Confident	174 Å²	174	67.7 Å²	67.7	76%	0.757	38%	0.379	S	S	*	.	S	Bend	trans	-63.5	-26.9	-172	-64.6	-175.5	178.9	-177.6	0	114.2	P420 V421	P420-K437 CarbonylContact C-O 3.59Å; P420-K437 VanDerWaalsContact CA-O 3.3Å; P420-K437 WeakPolarHBondContact CA-O 3.44Å; V421-K437 PolarHBondContact N-O 2.86Å
438	D	75.2	Confident	80.8	Confident	95 Å²	95	70.3 Å²	70.3	51%	0.508	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.2	-177.2	-62.7	-49.2	0	0	0	113	N436	N436-D438 VanDerWaalsContact C-N 3.26Å; N436-D438 PolarHBondContact O-N 3.5Å
439	A	82.5	Confident	80.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	156	164.3	0	0	0	0	0	110.5	I419 V421 F434 F448	I419-A439 PolarHBondContact N-O 3.08Å; I419-A439 PolarHBondContact O-N 3.02Å; V421-A439 HydrophobicContact CB-CB 4.27Å; V421-A439 HydrophobicContact CG2-CB 3.52Å; F434-A439 HydrophobicContact CD1-CB 3.68Å; F434-A439 HydrophobicContact CD2-CB 4.15Å; F434-A439 HydrophobicContact CE1-CB 3.51Å; F434-A439 HydrophobicContact CE2-CB 4.03Å; F434-A439 HydrophobicContact CG-CB 4.02Å; F434-A439 HydrophobicContact CZ-CB 3.72Å; A439-F448 HydrophobicContact CB-CD1 4.4Å
440	Y	87.5	Confident	81.1	Confident	15 Å²	15	66 Å²	66	6%	0.059	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.8	175.1	-68.1	-88.7	0	0	0	110.1	S417 S418 F448 V449 K451 R454	S417-Y440 VanDerWaalsContact O-CA 3.32Å; S417-Y440 WeakPolarHBondContact O-CA 3.44Å; S418-Y440 WeakPolarHBondContact OG-CE1 3.39Å; S418-Y440 VanDerWaalsContact OG-CZ 3.27Å; S418-Y440 PolarHBondContact OG-OH 2.87Å; Y440-F448 CarbonylContact O-C 3.5Å; Y440-F448 WeakPolarHBondContact O-CA 3.19Å; Y440-V449 PolarHBondContact N-O 2.73Å; Y440-V449 PolarHBondContact O-N 3.4Å; Y440-K451 HydrophobicContact CD2-CB 4.19Å; Y440-K451 HydrophobicContact CE2-CB 3.76Å; Y440-K451 HydrophobicContact CE2-CD 4.24Å; Y440-K451 HydrophobicContact CE2-CG 4.09Å; Y440-R454 VanDerWaalsContact CD1-CZ 3.48Å; Y440-R454 VanDerWaalsContact CD1-NH2 3.29Å
441	T	87.3	Confident	81	Confident	14 Å²	14	70.2 Å²	70.2	9%	0.086	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	146	173	-162.4	0	0	0	0	110.5	F416 S417 I419 S446 A447	F416-T441 CarbonylContact C-O 3.6Å; F416-T441 VanDerWaalsContact CA-O 3.3Å; F416-T441 WeakPolarHBondContact CA-O 3.42Å; S417-T441 PolarHBondContact N-O 3.21Å; S417-T441 PolarHBondContact O-N 2.77Å; I419-T441 HydrophobicContact CD1-CG2 3.46Å; I419-T441 VanDerWaalsContact CD1-CG2 3.46Å; I419-T441 HydrophobicContact CG1-CG2 4.09Å; T441-S446 PolarHBondContact OG1-O 2.96Å; T441-A447 WeakPolarHBondContact CA-O 3.37Å
442	C	86.1	Confident	81	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.5	169.8	174.5	0	0	0	0	110.7	H414 T415 F416 N444 C445 S446 A447	H414-C442 HydrophobicContact CB-CB 4.17Å; H414-C442 VanDerWaalsContact CB-SG 3.54Å; H414-C442 PolarHBondContact ND1-SG 2.99Å; T415-C442 CarbonylContact O-C 3.55Å; T415-C442 WeakPolarHBondContact O-CA 3.27Å; F416-C442 HydrophobicContact CD1-CB 3.95Å; F416-C442 HydrophobicContact CE1-CB 3.75Å; F416-C442 HydrophobicContact CZ-CB 4.47Å; C442-N444 PolarHBondContact O-N 3.48Å; C442-N444 PolarHBondContact SG-N 3.13Å; C442-N444 VanDerWaalsContact SG-N 3.38Å; C442-C445 PolarHBondContact O-N 2.99Å; C442-S446 VanDerWaalsContact O-CA 3.29Å; C442-S446 WeakPolarHBondContact O-CA 3.44Å; C442-S446 PolarHBondContact O-N 3.13Å; C442-A447 PolarHBondContact N-O 2.9Å
443	A	82.8	Confident	81	Confident	75 Å²	75	61.2 Å²	61.2	62%	0.62	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.6	178.8	0	0	0	0	0	114.4	T415	T415-A443 PolarHBondContact O-N 3.02Å
444	N	80.7	Confident	81.1	Confident	66 Å²	66	59 Å²	59	35%	0.353	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-26.5	-177.7	-61.5	94.6	0	0	0	114	T415 C442 K462	T415-N444 WeakPolarHBondContact CB-OD1 3.19Å; T415-N444 PolarHBondContact OG1-OD1 2.84Å; C442-N444 PolarHBondContact O-N 3.48Å; C442-N444 PolarHBondContact SG-N 3.13Å; C442-N444 VanDerWaalsContact SG-N 3.38Å; N444-K462 WeakPolarHBondContact O-CD 3.23Å
445	C	83.1	Confident	81.1	Confident	42 Å²	42	65.1 Å²	65.1	28%	0.284	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-1.4	-176.9	71.5	0	0	0	0	115.5	H414 C442 A447	H414-C445 PolarHBondContact CE1-SG 2.9Å; H414-C445 PolarHBondContact ND1-SG 3.18Å; H414-C445 VanDerWaalsContact ND1-SG 3.37Å; C442-C445 PolarHBondContact O-N 2.99Å; C445-A447 PolarHBondContact O-N 3.33Å; C445-A447 VanDerWaalsContact O-N 3.1Å
446	S	81	Confident	81.4	Confident	79 Å²	79	62.8 Å²	62.8	55%	0.552	36%	0.356	S	S	*	.			trans	61.3	8.2	-179.5	-46.9	0	0	0	0	116.2	T441 C442 F448	T441-S446 PolarHBondContact OG1-O 2.96Å; C442-S446 VanDerWaalsContact O-CA 3.29Å; C442-S446 WeakPolarHBondContact O-CA 3.44Å; C442-S446 PolarHBondContact O-N 3.13Å; S446-F448 WeakPolarHBondContact O-CD2 3.09Å; S446-F448 WeakPolarHBondContact O-CE2 3.3Å
447	A	83.6	Confident	82.2	Confident	20 Å²	20	57.1 Å²	57.1	17%	0.165	33%	0.326	C	S	.	.			trans	-66.5	135	176.8	0	0	0	0	0	111.6	T441 C442 C445 L457	T441-A447 WeakPolarHBondContact CA-O 3.37Å; C442-A447 PolarHBondContact N-O 2.9Å; C445-A447 PolarHBondContact O-N 3.33Å; C445-A447 VanDerWaalsContact O-N 3.1Å; A447-L457 HydrophobicContact CB-CD2 4.33Å
448	F	87.3	Confident	82.9	Confident	56 Å²	56	52.4 Å²	52.4	25%	0.246	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.9	-179	-64.7	-89.5	0	0	0	110.8	V421 I425 C427 S428 F434 A439 Y440 S446	V421-F448 HydrophobicContact CG2-CD1 4.33Å; V421-F448 HydrophobicContact CG2-CE1 4.31Å; I425-F448 HydrophobicContact CD1-CE2 4.41Å; I425-F448 HydrophobicContact CD1-CZ 4.34Å; I425-F448 HydrophobicContact CG2-CB 4.17Å; I425-F448 HydrophobicContact CG2-CD2 3.98Å; I425-F448 HydrophobicContact CG2-CG 4.07Å; C427-F448 CarbonylContact C-O 3.48Å; C427-F448 WeakPolarHBondContact CA-O 3.45Å; S428-F448 PolarHBondContact N-O 2.72Å; S428-F448 PolarHBondContact OG-N 3.23Å; S428-F448 PolarHBondContact OG-O 3.14Å; F434-F448 HydrophobicContact CE2-CB 3.82Å; F434-F448 HydrophobicContact CZ-CB 3.92Å; A439-F448 HydrophobicContact CB-CD1 4.4Å; Y440-F448 CarbonylContact O-C 3.5Å; Y440-F448 WeakPolarHBondContact O-CA 3.19Å; S446-F448 WeakPolarHBondContact O-CD2 3.09Å; S446-F448 WeakPolarHBondContact O-CE2 3.3Å
449	V	88.6	Confident	83.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.7	179.3	-69.3	0	0	0	0	113.5	F416 Q429 Y440 C453 R454 L457	F416-V449 HydrophobicContact CD1-CG2 3.95Å; F416-V449 HydrophobicContact CE1-CG2 3.4Å; F416-V449 VanDerWaalsContact CE1-CG2 3.4Å; F416-V449 HydrophobicContact CZ-CG2 3.87Å; Q429-V449 HydrophobicContact CB-CG1 4.24Å; Y440-V449 PolarHBondContact N-O 2.73Å; Y440-V449 PolarHBondContact O-N 3.4Å; V449-C453 HydrophobicContact CB-CB 4.19Å; V449-R454 HydrophobicContact CG2-CB 4.48Å; V449-R454 HydrophobicContact CG2-CG 3.87Å; V449-L457 HydrophobicContact CG1-CD1 4.09Å; V449-L457 HydrophobicContact CG1-CD2 4.05Å; V449-L457 HydrophobicContact CG1-CG 4.49Å
450	H	88.4	Confident	83.1	Confident	47 Å²	47	52.7 Å²	52.7	22%	0.218	33%	0.329	C	S	.	.			trans	-64.7	155.4	168.4	-66.9	115.8	0	0	0	111.2	C427 F434 G452 C453	C427-H450 VanDerWaalsContact CB-CE1 3.41Å; C427-H450 WeakPolarHBondContact CB-CE1 3.39Å; C427-H450 WeakPolarHBondContact CB-ND1 3.42Å; C427-H450 PolarHBondContact SG-N 2.92Å; C427-H450 VanDerWaalsContact SG-N 3.4Å; C427-H450 PolarHBondContact SG-ND1 3.22Å; C427-H450 VanDerWaalsContact SG-ND1 3.4Å; F434-H450 AromaticContact CD1-CD2 3.41Å; F434-H450 VanDerWaalsContact CD1-CD2 3.41Å; F434-H450 WeakPolarHBondContact CD1-CD2 2.99Å; F434-H450 AromaticContact CD1-NE2 3.47Å; F434-H450 WeakPolarHBondContact CD1-NE2 3.46Å; F434-H450 AromaticContact CE1-CD2 3.51Å; F434-H450 AromaticContact CE1-CG 3.92Å; F434-H450 AromaticContact CE1-NE2 3.82Å; H450-G452 VanDerWaalsContact C-N 3.25Å; H450-G452 PolarHBondContact O-N 2.89Å; H450-C453 HydrophobicContact CB-CB 4.21Å; H450-C453 PolarHBondContact O-N 3.33Å
451	K	84.7	Confident	82.1	Confident	139 Å²	139	56.5 Å²	56.5	60%	0.604	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-51.7	-41.6	178.1	-170.2	162.4	-175.8	162.5	0	113.2	Y440	Y440-K451 HydrophobicContact CD2-CB 4.19Å; Y440-K451 HydrophobicContact CE2-CB 3.76Å; Y440-K451 HydrophobicContact CE2-CD 4.24Å; Y440-K451 HydrophobicContact CE2-CG 4.09Å
452	G	82.1	Confident	80.7	Confident	73 Å²	73	63.7 Å²	63.7	75%	0.753	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-81.5	-3.3	176.8	0	0	0	0	0	115.9	H450	H450-G452 VanDerWaalsContact C-N 3.25Å; H450-G452 PolarHBondContact O-N 2.89Å
453	C	84.2	Confident	79.5	Confident	23 Å²	23	67.8 Å²	67.8	16%	0.155	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-102.7	-7.1	-178.9	-66.9	0	0	0	0	113.9	Q429 V449 H450 E455 S456 L457	Q429-C453 HydrophobicContact CB-CB 4.08Å; Q429-C453 HydrophobicContact CG-CB 4.26Å; V449-C453 HydrophobicContact CB-CB 4.19Å; H450-C453 HydrophobicContact CB-CB 4.21Å; H450-C453 PolarHBondContact O-N 3.33Å; C453-E455 VanDerWaalsContact C-N 3.33Å; C453-E455 PolarHBondContact O-N 3.01Å; C453-S456 PolarHBondContact O-N 3.42Å; C453-L457 PolarHBondContact O-N 3.23Å
454	R	82.3	Confident	77.6	Confident	31 Å²	31	73.6 Å²	73.6	12%	0.117	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-39.8	-175.3	-58.1	-167.1	-149.5	155.3	9.7	113.6	D407 F416 Y440 V449	D407-R454 IonicContact OD1-CZ 3.18Å; D407-R454 IonicContact OD1-NH1 2.69Å; D407-R454 PolarHBondContact OD1-NH1 3.29Å; D407-R454 IonicContact OD1-NH2 2.74Å; D407-R454 PolarHBondContact OD1-NH2 3.29Å; F416-R454 HydrophobicContact CD2-CB 4.05Å; F416-R454 HydrophobicContact CD2-CG 4.14Å; F416-R454 HydrophobicContact CE2-CB 3.83Å; F416-R454 HydrophobicContact CE2-CG 4.26Å; F416-R454 HydrophobicContact CG-CG 4.34Å; F416-R454 HydrophobicContact CZ-CB 4.35Å; Y440-R454 VanDerWaalsContact CD1-CZ 3.48Å; Y440-R454 VanDerWaalsContact CD1-NH2 3.29Å; V449-R454 HydrophobicContact CG2-CB 4.48Å; V449-R454 HydrophobicContact CG2-CG 3.87Å
455	E	79.5	Confident	75.9	Confident	156 Å²	156	78.9 Å²	78.9	73%	0.729	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-23.7	-174.8	-59.1	-175.7	167.3	0	0	112.8	V411 N412 C453	V411-E455 HydrophobicContact CG1-CG 4.33Å; N412-E455 PolarHBondContact ND2-O 2.95Å; N412-E455 VanDerWaalsContact ND2-O 3.15Å; C453-E455 VanDerWaalsContact C-N 3.33Å; C453-E455 PolarHBondContact O-N 3.01Å
456	S	78.3	Confident	73.3	Confident	80 Å²	80	86.7 Å²	86.7	56%	0.559	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.5	178.8	-46.7	0	0	0	0	113.9	Q429 C453	Q429-S456 PolarHBondContact NE2-O 3.21Å; Q429-S456 PolarHBondContact OE1-O 2.97Å; C453-S456 PolarHBondContact O-N 3.42Å
457	L	78.1	Confident	71.3	Confident	14 Å²	14	88.8 Å²	88.8	7%	0.073	50%	0.495	C	S	.	.	S	Bend	trans	-71.2	133.7	179.5	-169.2	70.3	0	0	0	110.9	N412 F416 Q429 A447 V449 C453	N412-L457 PolarHBondContact ND2-O 3Å; F416-L457 HydrophobicContact CE1-CD2 4.29Å; F416-L457 HydrophobicContact CZ-CD2 3.83Å; Q429-L457 HydrophobicContact CB-CD1 4.06Å; A447-L457 HydrophobicContact CB-CD2 4.33Å; V449-L457 HydrophobicContact CG1-CD1 4.09Å; V449-L457 HydrophobicContact CG1-CD2 4.05Å; V449-L457 HydrophobicContact CG1-CG 4.49Å; C453-L457 PolarHBondContact O-N 3.23Å
458	A	76.9	Confident	68.8	Low	75 Å²	75	98.1 Å²	98.1	62%	0.62	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-56.1	151.5	174.4	0	0	0	0	0	111.9	H414	H414-A458 PolarHBondContact NE2-O 3.14Å
459	S	79.8	Confident	66	Low	95 Å²	95	99.4 Å²	99.4	66%	0.664	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-62.5	147.5	-168.3	52	0	0	0	0	114.6	N412 A461	N412-S459 VanDerWaalsContact O-CA 3.25Å; N412-S459 WeakPolarHBondContact O-CA 3.35Å; S459-A461 PolarHBondContact O-N 2.99Å
460	C	82.7	Confident	63	Low	7 Å²	7	104.5 Å²	104.5	5%	0.047	60%	0.597	C	S	.	*			trans	-67.7	101.5	-173.7	-174.6	0	0	0	0	112.4	N412 G413 H414 K462 V463	N412-C460 PolarHBondContact O-N 2.91Å; G413-C460 VanDerWaalsContact O-CB 3.28Å; G413-C460 WeakPolarHBondContact O-CB 3.47Å; H414-C460 PolarHBondContact NE2-N 3.4Å; C460-K462 PolarHBondContact O-N 3.11Å; C460-V463 HydrophobicContact CB-CG2 4.28Å; C460-V463 PolarHBondContact O-N 3.31Å
461	A	65.7	Low	60.2	Low	95 Å²	95	110.2 Å²	110.2	79%	0.785	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-23.4	-176.7	0	0	0	0	0	115.2	S459 V463	S459-A461 PolarHBondContact O-N 2.99Å; A461-V463 VanDerWaalsContact C-N 3.3Å; A461-V463 PolarHBondContact O-N 3.04Å
462	K	59.8	Low	57.5	Low	165 Å²	165	112.3 Å²	112.3	72%	0.717	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-1.9	175.5	-79	177.1	169	-178.5	0	114.7	N444 C460	N444-K462 WeakPolarHBondContact O-CD 3.23Å; C460-K462 PolarHBondContact O-N 3.11Å
463	V	60.9	Low	55	Low	85 Å²	85	113.4 Å²	113.4	52%	0.515	64%	0.642	S	S	.	*			trans	-112.2	73.8	176.3	-173.3	0	0	0	0	109.4	C460 A461	C460-V463 HydrophobicContact CB-CG2 4.28Å; C460-V463 PolarHBondContact O-N 3.31Å; A461-V463 VanDerWaalsContact C-N 3.3Å; A461-V463 PolarHBondContact O-N 3.04Å
464	K	42.5	Very low	52.4	Low	198 Å²	198	121.2 Å²	121.2	86%	0.861	68%	0.675	S	S	*	*			trans	-113.2	122.4	178.2	-150.9	173.7	-175.2	-178.2	0	111
465	M	45.1	Very low	49.7	Very low	176 Å²	176	127.7 Å²	127.7	87%	0.867	71%	0.712	S	S	*	*			trans	-31.2	139.3	-172	-52.5	-58.9	-170.1	0	0	118.2
466	K	27.1	Very low	47.4	Very low	206 Å²	206	126.3 Å²	126.3	90%	0.896	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-86.7	128.3	145.2	-80.5	-168.4	174.3	-172.7	0	109.1
467	P	40	Very low	45.2	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-72.9	158.5	169.8	31.6	-34	0	0	0	111.2
468	K	30.2	Very low	43	Very low	216 Å²	216	132 Å²	132	94%	0.939	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-101.7	120.7	174.2	-153.2	176.8	-174.8	-174.8	0	107.8
469	G	28.3	Very low	40.7	Very low	83 Å²	83	136.3 Å²	136.3	86%	0.856	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-81.8	168.6	-160.8	0	0	0	0	0	116.4
470	S	25.6	Very low	39	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	77%	0.769	S	S	*	*			trans	-129.7	131	169.4	55.2	0	0	0	0	109.8
471	L	30.5	Very low	36.8	Very low	166 Å²	166	142.2 Å²	142.2	87%	0.869	80%	0.802	S	S	*	*			trans	46.2	140.7	153.2	-61.3	176.5	0	0	0	122.1
472	Q	28.8	Very low	34.9	Very low	183 Å²	183	144 Å²	144	86%	0.855	80%	0.803	S	S	*	*			trans	80	113.2	153.7	-77.3	178.9	-21.7	0	0	121.7
473	A	28.7	Very low	33.5	Very low	96 Å²	96	142.7 Å²	142.7	79%	0.793	80%	0.802	S	S	*	*				76.8	156	126.9	0	0	0	0	0	120.3
474	H	29.8	Very low	31.9	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.866	81%	0.813	S	S	*	*			trans	-106.2	144.3	-175.3	-72.7	-106.9	0	0	0	111.3
475	D	25.5	Very low	31.4	Very low	167 Å²	167	146.6 Å²	146.6	89%	0.893	81%	0.81	S	S	*	*			trans	-70.9	150.3	169.7	-67	-59.4	0	0	0	113
476	T	30.7	Very low	30.4	Very low	128 Å²	128	145.4 Å²	145.4	79%	0.785	81%	0.808	S	S	*	*			trans	-111.1	103.4	164.6	53.1	0	0	0	0	111.3
477	S	31.8	Very low	30.6	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	80%	0.804	S	S	*	*			trans	46.5	138.1	145.2	57.6	0	0	0	0	123.4
478	S	31.7	Very low	31.3	Very low	109 Å²	109	144 Å²	144	76%	0.762	80%	0.8	S	S	*	*			trans	74.5	101.1	145	45.2	0	0	0	0	122.8
479	L	28.7	Very low	31.1	Very low	165 Å²	165	139.4 Å²	139.4	86%	0.864	80%	0.795	S	S	*	*				-1	165.1	121.9	-61.5	176.6	0	0	0	120.4
480	P	45.8	Very low	31.2	Very low	106 Å²	106	143.7 Å²	143.7	69%	0.688	79%	0.793	S	S	*	*			cis	-140.9	162.8	-13.4	30.7	-7.8	0	0	0	119.1
481	T	35.8	Very low	32.2	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	79%	0.789	S	S	*	*			trans	33	116.4	141.9	-48.2	0	0	0	0	125.1	I483	T481-I483 HydrophobicContact CG2-CD1 4.2Å; T481-I483 HydrophobicContact CG2-CG1 4.41Å
482	V	26.1	Very low	32.2	Very low	133 Å²	133	143.3 Å²	143.3	81%	0.806	78%	0.781	S	S	*	*			trans	-153.1	141.9	158.1	-171	0	0	0	0	108.1
483	I	30.3	Very low	32.1	Very low	137 Å²	137	142 Å²	142	70%	0.703	78%	0.775	S	S	*	*			cis	108.4	123	5.9	-63.8	172.1	0	0	0	113.8	T481	T481-I483 HydrophobicContact CG2-CD1 4.2Å; T481-I483 HydrophobicContact CG2-CG1 4.41Å
484	M	27.4	Very low	32.1	Very low	152 Å²	152	147.6 Å²	147.6	75%	0.749	78%	0.775	S	S	*	*			cis	-167.5	158.5	-10.9	-120.7	-66.8	132.6	0	0	112.6
485	R	31.2	Very low	32.9	Very low	213 Å²	213	144.1 Å²	144.1	80%	0.804	77%	0.77	S	S	*	*			trans	65.3	165.5	168	-78.5	-179.3	172.4	88.7	-4.1	116.7
486	N	24.9	Very low	33.3	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	77%	0.766	S	S	*	*			cis	-149.8	-177.9	22.8	-133.2	-9.4	0	0	0	115.6
487	K	30	Very low	33.2	Very low	190 Å²	190	145.6 Å²	145.6	83%	0.826	77%	0.765	S	S	*	*			trans	-100.9	-170.8	179.6	-107.4	-172.4	176.6	-178.6	0	111.9
488	P	54.9	Low	33	Very low	110 Å²	110	145.1 Å²	145.1	71%	0.714	77%	0.767	S	S	*	*			cis	-138.8	176.3	-44.3	40.3	-24.1	0	0	0	114.7
489	S	26.3	Very low	32.7	Very low	119 Å²	119	146.5 Å²	146.5	83%	0.832	77%	0.771	S	S	*	*			trans	-171	174	146	58.3	0	0	0	0	114.9
490	Q	31.5	Very low	32.7	Very low	173 Å²	173	145.5 Å²	145.5	81%	0.808	77%	0.766	S	S	*	*			trans	-151	168.7	-176.9	-92.6	-85.7	-31.9	0	0	106.4
491	P	46.4	Very low	31.7	Very low	104 Å²	104	147.6 Å²	147.6	68%	0.675	77%	0.77	S	S	*	*			cis	-156.1	-173.8	43.6	45.1	-23.2	0	0	0	119.6
492	K	30.7	Very low	31.2	Very low	162 Å²	162	147.7 Å²	147.7	70%	0.704	77%	0.77	S	S	*	*			trans	69.8	155.4	153.7	-84	179.1	170	-125.8	0	118.2
493	E	26.4	Very low	31.2	Very low	155 Å²	155	148.2 Å²	148.2	72%	0.724	77%	0.769	S	S	*	*			cis	-142.4	-166	-3.1	-154.9	129	-126.8	0	0	112
494	R	27.6	Very low	31	Very low	213 Å²	213	149 Å²	149	80%	0.804	77%	0.77	S	S	*	*			trans	-127	161.8	-174.9	-147.6	-164.2	-178.1	139.1	-1.1	110.4
495	P	47.8	Very low	31.1	Very low	114 Å²	114	147.6 Å²	147.6	74%	0.74	77%	0.769	S	S	*	*				-148.9	153.3	88.2	37.1	-19	0	0	0	117.5
496	R	32.8	Very low	30.9	Very low	217 Å²	217	141.9 Å²	141.9	82%	0.819	77%	0.768	S	S	*	*			trans	34.7	135.6	139.1	-67.3	-177.3	179.7	-178.7	-0.2	121.1
497	S	28.9	Very low	31.1	Very low	109 Å²	109	141.5 Å²	141.5	76%	0.762	77%	0.771	S	S	*	*			cis	-138.9	-138	3.1	-58.3	0	0	0	0	109.3
498	A	27.7	Very low	31.1	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	77%	0.769	S	S	*	*			cis	-164.1	154.9	-19.7	0	0	0	0	0	106.1
499	V	26.6	Very low	30.4	Very low	138 Å²	138	138.2 Å²	138.2	84%	0.836	77%	0.767	S	S	*	*			cis	-137.5	-136.5	-17.8	63.2	0	0	0	0	107.6
500	L	26.6	Very low	30.5	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	76%	0.761	S	S	*	*			trans	-148.3	148.9	-172.4	-68.4	175.1	0	0	0	115.1
501	L	25.4	Very low	30.2	Very low	149 Å²	149	140.4 Å²	140.4	78%	0.78	77%	0.765	S	S	*	*			trans	52.1	148.9	133.9	-69.8	168.4	0	0	0	124.7
502	V	26.2	Very low	29.3	Very low	123 Å²	123	140.4 Å²	140.4	75%	0.745	77%	0.773	S	S	*	*			trans	82.1	97	140.5	161.8	0	0	0	0	120.6
503	D	25.1	Very low	29.1	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	78%	0.775	S	S	*	*				82.7	153.7	109.3	-137.9	6.9	0	0	0	124.8
504	E	27.4	Very low	29.4	Very low	155 Å²	155	143.9 Å²	143.9	72%	0.724	79%	0.785	S	S	*	*			trans	55.2	137.6	161.1	-89.7	-163.1	151.3	0	0	126.5
505	T	28.3	Very low	29.5	Very low	121 Å²	121	144.6 Å²	144.6	74%	0.742	79%	0.788	S	S	*	*			trans	71.5	87.5	149.7	55.3	0	0	0	0	123.1
506	A	27.6	Very low	28.6	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	78%	0.783	S	S	*	*			trans	26.7	123	132.5	0	0	0	0	0	123.3
507	T	28	Very low	28.4	Very low	143 Å²	143	141.9 Å²	141.9	88%	0.877	79%	0.785	S	S	*	*				-161.6	166.2	115.2	8.8	0	0	0	0	114.5
508	T	30.1	Very low	28.4	Very low	125 Å²	125	144.8 Å²	144.8	77%	0.767	79%	0.786	S	S	*	*			trans	-60	169.8	-175.1	45.6	0	0	0	0	116.8
509	P	41.9	Very low	28.3	Very low	105 Å²	105	146.1 Å²	146.1	68%	0.682	79%	0.79	S	S	*	*			cis	-147.9	147.6	26.3	39.5	-17	0	0	0	121.9
510	I	27.5	Very low	28.2	Very low	138 Å²	138	145.7 Å²	145.7	71%	0.708	79%	0.787	S	S	*	*				75.6	129.4	128.4	-64.9	173.1	0	0	0	123.6
511	F	25.2	Very low	28.1	Very low	201 Å²	201	143.8 Å²	143.8	88%	0.882	79%	0.786	S	S	*	*			trans	64	151.2	167.4	-64.1	-42	0	0	0	117.9
512	A	27.7	Very low	28.2	Very low	103 Å²	103	144.1 Å²	144.1	85%	0.851	79%	0.788	S	S	*	*			cis	-136.1	-174.5	20.1	0	0	0	0	0	115.9
513	N	26.8	Very low	28.2	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	79%	0.791	S	S	*	*			trans	-106.6	137.8	-161	-179.2	3.1	0	0	0	113.3
514	R	31.4	Very low	28.4	Very low	252 Å²	252	146.2 Å²	146.2	95%	0.951	80%	0.795	S	S	*	*			trans	-140.7	148	155.1	-87.2	-162.7	179.9	-147.4	-0.9	111.9
515	R	31	Very low	28.3	Very low	229 Å²	229	144.2 Å²	144.2	86%	0.864	80%	0.798	S	S	*	*			trans	-130.4	145.9	-161.2	-169.7	178.9	-171.5	173	3.8	112.2
516	S	28.1	Very low	28.2	Very low	90 Å²	90	145.4 Å²	145.4	63%	0.629	81%	0.805	S	S	*	*			trans	-25.5	137.9	171.1	179.6	0	0	0	0	117.1
517	Q	29.9	Very low	28.1	Very low	184 Å²	184	145 Å²	145	86%	0.86	80%	0.796	S	S	*	*			trans	-121	142.5	149.5	-89.5	-67.5	-7.1	0	0	109
518	Q	28.3	Very low	28.2	Very low	169 Å²	169	146.3 Å²	146.3	79%	0.79	80%	0.796	S	S	*	*			trans	-110.1	130.8	-174.9	-63.3	173.1	-75	0	0	110
519	S	24.8	Very low	28.3	Very low	122 Å²	122	148 Å²	148	85%	0.853	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-93.9	126.2	170.6	47.2	0	0	0	0	110.8
520	V	25.6	Very low	27.8	Very low	129 Å²	129	151 Å²	151	78%	0.782	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.4	129	179.7	178.4	0	0	0	0	109.9
521	S	24.5	Very low	28	Very low	105 Å²	105	152 Å²	152	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.9	124.8	172	47.8	0	0	0	0	111.1
522	L	26.1	Very low	28.4	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	81%	0.812	S	S	*	*			trans	-115.3	98.6	172.7	-77.9	174.6	0	0	0	110.4
523	S	26.6	Very low	28.4	Very low	117 Å²	117	148.2 Å²	148.2	82%	0.818	81%	0.809	S	S	*	*			trans	-103.4	102	170.8	-62.6	0	0	0	0	109.5
524	K	28.7	Very low	28.9	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	82%	0.82	S	S	*	*			trans	-132.8	100.7	168	-74.8	-169.9	176.9	-177.7	0	110.7
525	S	26.4	Very low	29	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	81%	0.808	S	S	*	*			trans	-71.7	138.7	163	49.8	0	0	0	0	110.4	S527	S525-S527 PolarHBondContact O-N 3.36Å
526	V	26.7	Very low	29	Very low	145 Å²	145	136.8 Å²	136.8	88%	0.879	81%	0.806	S	S	*	*			trans	-71.9	121	169.9	179.8	0	0	0	0	108.8
527	S	25.3	Very low	29.5	Very low	85 Å²	85	138.8 Å²	138.8	59%	0.594	81%	0.809	S	S	*	*			trans	-107.6	136.7	172	-173	0	0	0	0	109.7	S525 Q529	S525-S527 PolarHBondContact O-N 3.36Å; S527-Q529 VanDerWaalsContact C-N 3.28Å; S527-Q529 PolarHBondContact O-N 3.23Å; S527-Q529 VanDerWaalsContact O-N 3.08Å
528	I	30.7	Very low	29.9	Very low	172 Å²	172	137.5 Å²	137.5	88%	0.882	80%	0.803	S	S	*	*	S	Bend	trans	-86.5	71.5	177.2	-51.1	178.8	0	0	0	109.1
529	Q	31.9	Very low	30.1	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	79%	0.793	S	S	*	*			trans	-149.8	96.6	170.6	-90.5	-178.7	-27.9	0	0	108.7	S527	S527-Q529 VanDerWaalsContact C-N 3.28Å; S527-Q529 PolarHBondContact O-N 3.23Å; S527-Q529 VanDerWaalsContact O-N 3.08Å
530	N	29.8	Very low	30.5	Very low	168 Å²	168	133.2 Å²	133.2	90%	0.898	77%	0.774	S	S	*	*			trans	-174.2	57.2	166.5	-98.6	-19	0	0	0	111.8
531	I	33.4	Very low	30.9	Very low	159 Å²	159	130.1 Å²	130.1	82%	0.815	76%	0.758	S	S	*	*			trans	-136.8	58	167	-44.7	179.7	0	0	0	110.5
532	T	33.2	Very low	31.3	Very low	147 Å²	147	129 Å²	129	90%	0.902	74%	0.744	S	S	*	*			trans	-162.5	111.1	157.9	43.3	0	0	0	0	107.6
533	G	27.4	Very low	31.8	Very low	77 Å²	77	125.3 Å²	125.3	79%	0.794	73%	0.728	S	S	*	*			trans	-178.7	110.9	179.4	0	0	0	0	0	110.5
534	V	36.7	Very low	32.4	Very low	160 Å²	160	123.7 Å²	123.7	97%	0.97	70%	0.704	S	S	*	*			trans	-90.4	128.2	-179	179.3	0	0	0	0	109.4
535	G	34.9	Very low	33	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	69%	0.688	S	S	*	*			trans	118.2	143.5	163	0	0	0	0	0	116.8
536	N	30.1	Very low	33.3	Very low	151 Å²	151	121.5 Å²	121.5	81%	0.807	68%	0.681	S	S	*	*			trans	79.2	104.9	168.4	-155	27.5	0	0	0	117.5
537	D	37.8	Very low	33.7	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	67%	0.666	S	S	*	*			trans	-80.3	-28.4	-168.2	-73.9	-76.3	0	0	0	116.7	N539 M540	D537-N539 VanDerWaalsContact C-N 3.35Å; D537-N539 PolarHBondContact O-N 3.09Å; D537-N539 VanDerWaalsContact O-N 3.16Å; D537-M540 WeakPolarHBondContact O-CB 3.43Å; D537-M540 PolarHBondContact O-N 3.25Å
538	E	38.3	Very low	34.3	Very low	158 Å²	158	116.9 Å²	116.9	74%	0.738	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-21.5	-160.3	-74.2	-65.7	128.2	0	0	116
539	N	34.3	Very low	34.6	Very low	109 Å²	109	112.2 Å²	112.2	58%	0.583	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-0.6	-178.7	-169	41.7	0	0	0	114.2	D537 S541 N542	D537-N539 VanDerWaalsContact C-N 3.35Å; D537-N539 PolarHBondContact O-N 3.09Å; D537-N539 VanDerWaalsContact O-N 3.16Å; N539-S541 PolarHBondContact O-N 2.8Å; N539-S541 VanDerWaalsContact O-N 3.17Å; N539-N542 PolarHBondContact O-N 3.45Å; N539-N542 PolarHBondContact OD1-ND2 3.23Å
540	M	31.5	Very low	35	Very low	91 Å²	91	107.6 Å²	107.6	45%	0.448	61%	0.606	S	S	.	*	H	α-helix	trans	-63.4	-27.8	-171.1	-148.9	-165.6	-174.9	0	0	113	D537 N542 T543 W544	D537-M540 WeakPolarHBondContact O-CB 3.43Å; D537-M540 PolarHBondContact O-N 3.25Å; M540-N542 VanDerWaalsContact C-N 3.26Å; M540-N542 PolarHBondContact O-N 2.85Å; M540-T543 WeakPolarHBondContact O-CB 3.49Å; M540-T543 PolarHBondContact O-N 3.31Å; M540-W544 HydrophobicContact CB-CH2 4.43Å; M540-W544 HydrophobicContact CB-CZ2 3.6Å; M540-W544 HydrophobicContact CG-CZ2 3.79Å; M540-W544 VanDerWaalsContact CG-NE1 3.3Å; M540-W544 PolarHBondContact O-N 3.4Å; M540-W544 HydrophobicContact SD-CZ2 3.56Å; M540-W544 VanDerWaalsContact SD-CZ2 3.56Å; M540-W544 PolarHBondContact SD-NE1 3.29Å
541	S	35.4	Very low	35.4	Very low	64 Å²	64	101.4 Å²	101.4	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-57.9	-27.3	179.2	-53.9	0	0	0	0	115.7	N539 W544	N539-S541 PolarHBondContact O-N 2.8Å; N539-S541 VanDerWaalsContact O-N 3.17Å; S541-W544 WeakPolarHBondContact OG-CZ3 3.45Å
542	N	32.6	Very low	35.6	Very low	83 Å²	83	95.1 Å²	95.1	44%	0.444	54%	0.542	S	S	.	.	H	α-helix	trans	-83.6	-30.3	175.6	-71.2	-50.4	0	0	0	111.9	N539 M540 F546	N539-N542 PolarHBondContact O-N 3.45Å; N539-N542 PolarHBondContact OD1-ND2 3.23Å; M540-N542 VanDerWaalsContact C-N 3.26Å; M540-N542 PolarHBondContact O-N 2.85Å; N542-F546 VanDerWaalsContact O-CD2 3.29Å; N542-F546 WeakPolarHBondContact O-CD2 3.39Å; N542-F546 VanDerWaalsContact O-CE2 3.25Å; N542-F546 WeakPolarHBondContact O-CE2 3.35Å
543	T	36.2	Very low	35.9	Very low	78 Å²	78	91 Å²	91	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-36.2	178.2	-51.4	0	0	0	0	112.1	M540 K545 F546	M540-T543 WeakPolarHBondContact O-CB 3.49Å; M540-T543 PolarHBondContact O-N 3.31Å; T543-K545 VanDerWaalsContact C-N 3.28Å; T543-K545 PolarHBondContact O-N 3.06Å; T543-F546 PolarHBondContact O-N 3.36Å
544	W	39.8	Very low	36.6	Very low	83 Å²	83	90 Å²	90	31%	0.314	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.1	-176.7	-59.3	-28.8	0	0	0	113.8	M540 S541 F546 L547 K615	M540-W544 HydrophobicContact CB-CH2 4.43Å; M540-W544 HydrophobicContact CB-CZ2 3.6Å; M540-W544 HydrophobicContact CG-CZ2 3.79Å; M540-W544 VanDerWaalsContact CG-NE1 3.3Å; M540-W544 PolarHBondContact O-N 3.4Å; M540-W544 HydrophobicContact SD-CZ2 3.56Å; M540-W544 VanDerWaalsContact SD-CZ2 3.56Å; M540-W544 PolarHBondContact SD-NE1 3.29Å; S541-W544 WeakPolarHBondContact OG-CZ3 3.45Å; W544-F546 VanDerWaalsContact C-N 3.25Å; W544-F546 PolarHBondContact O-N 3.19Å; W544-L547 PolarHBondContact O-N 3.06Å; W544-K615 HydrophobicContact CH2-CD 3.99Å; W544-K615 VanDerWaalsContact CH2-CE 3.5Å; W544-K615 HydrophobicContact CH2-CG 4.46Å; W544-K615 HydrophobicContact CZ2-CD 4.44Å; W544-K615 VanDerWaalsContact CZ2-CE 3.46Å; W544-K615 HydrophobicContact CZ3-CG 4.5Å
545	K	39.7	Very low	36.8	Very low	119 Å²	119	84.9 Å²	84.9	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-55.4	-39.2	178.8	-65.6	170.1	-176.6	165.9	0	112.5	T543 L547 S548 H549	T543-K545 VanDerWaalsContact C-N 3.28Å; T543-K545 PolarHBondContact O-N 3.06Å; K545-L547 VanDerWaalsContact C-N 3.26Å; K545-L547 PolarHBondContact O-N 3.33Å; K545-S548 PolarHBondContact O-N 3.12Å; K545-H549 PolarHBondContact O-CD2 2.84Å; K545-H549 VanDerWaalsContact O-CD2 3.26Å; K545-H549 PolarHBondContact O-N 3.2Å
546	F	33.5	Very low	37	Very low	143 Å²	143	86.7 Å²	86.7	63%	0.627	45%	0.451	S	S	*	.	H	α-helix	trans	-71	-14.3	-174.1	-63.5	-78.6	0	0	0	115	N542 T543 W544	N542-F546 VanDerWaalsContact O-CD2 3.29Å; N542-F546 WeakPolarHBondContact O-CD2 3.39Å; N542-F546 VanDerWaalsContact O-CE2 3.25Å; N542-F546 WeakPolarHBondContact O-CE2 3.35Å; T543-F546 PolarHBondContact O-N 3.36Å; W544-F546 VanDerWaalsContact C-N 3.25Å; W544-F546 PolarHBondContact O-N 3.19Å
547	L	35.8	Very low	37.5	Very low	108 Å²	108	84.2 Å²	84.2	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-94.8	-26.4	179.2	-70.1	169.6	0	0	0	113.4	W544 K545 R780	W544-L547 PolarHBondContact O-N 3.06Å; K545-L547 VanDerWaalsContact C-N 3.26Å; K545-L547 PolarHBondContact O-N 3.33Å; L547-R780 VanDerWaalsContact CB-NH2 3.34Å
548	S	37.5	Very low	37.2	Very low	25 Å²	25	82.2 Å²	82.2	18%	0.175	43%	0.433	C	S	.	.	H	α-helix	trans	-74.5	-30.6	169.1	172	0	0	0	0	112	K545 S550 T551 D552	K545-S548 PolarHBondContact O-N 3.12Å; S548-S550 PolarHBondContact O-N 3.4Å; S548-T551 PolarHBondContact O-N 2.98Å; S548-T551 PolarHBondContact O-OG1 3.36Å; S548-D552 PolarHBondContact O-N 2.94Å
549	H	37.5	Very low	37.1	Very low	73 Å²	73	84.5 Å²	84.5	34%	0.338	44%	0.44	S	S	.	.	H	α-helix	trans	-55.5	-17.1	-176.7	-78.2	-20.9	0	0	0	116.3	K545 T551 S553	K545-H549 PolarHBondContact O-CD2 2.84Å; K545-H549 VanDerWaalsContact O-CD2 3.26Å; K545-H549 PolarHBondContact O-N 3.2Å; H549-T551 VanDerWaalsContact C-N 3.3Å; H549-T551 PolarHBondContact O-N 3.46Å; H549-S553 WeakPolarHBondContact CA-OG 3.28Å; H549-S553 VanDerWaalsContact CB-OG 3.28Å; H549-S553 WeakPolarHBondContact CB-OG 3.41Å; H549-S553 WeakPolarHBondContact O-CB 3.4Å; H549-S553 PolarHBondContact O-N 2.95Å; H549-S553 PolarHBondContact O-OG 3.38Å
550	S	39.8	Very low	37	Very low	65 Å²	65	84.2 Å²	84.2	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-67.1	-28.2	173.9	-58.4	0	0	0	0	113.9	S548	S548-S550 PolarHBondContact O-N 3.4Å
551	T	38.5	Very low	37	Very low	38 Å²	38	85.7 Å²	85.7	23%	0.233	45%	0.452	C	S	.	.	H	α-helix	trans	-109.9	-36.5	176.4	41.8	0	0	0	0	112	S548 H549 L766	S548-T551 PolarHBondContact O-N 2.98Å; S548-T551 PolarHBondContact O-OG1 3.36Å; H549-T551 VanDerWaalsContact C-N 3.3Å; H549-T551 PolarHBondContact O-N 3.46Å; T551-L766 HydrophobicContact CG2-CD2 4.37Å
552	D	36.3	Very low	37	Very low	27 Å²	27	92.4 Å²	92.4	14%	0.144	48%	0.476	C	S	.	.	H	α-helix	trans	-79.4	-30	-174.6	-177.8	54.8	0	0	0	114.4	S548 L554 N555	S548-D552 PolarHBondContact O-N 2.94Å; D552-L554 PolarHBondContact O-N 3.48Å; D552-N555 WeakPolarHBondContact O-CB 3.25Å; D552-N555 PolarHBondContact O-N 3.39Å
553	S	40.2	Very low	37.3	Very low	59 Å²	59	92.6 Å²	92.6	41%	0.413	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	-179.9	-51.8	0	0	0	0	113.5	H549 N555	H549-S553 WeakPolarHBondContact CA-OG 3.28Å; H549-S553 VanDerWaalsContact CB-OG 3.28Å; H549-S553 WeakPolarHBondContact CB-OG 3.41Å; H549-S553 WeakPolarHBondContact O-CB 3.4Å; H549-S553 PolarHBondContact O-N 2.95Å; H549-S553 PolarHBondContact O-OG 3.38Å; S553-N555 VanDerWaalsContact C-N 3.35Å
554	L	42.2	Very low	37.6	Very low	58 Å²	58	95.4 Å²	95.4	30%	0.304	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.2	177	-61.7	165.9	0	0	0	112.4	D552 L758 L766	D552-L554 PolarHBondContact O-N 3.48Å; L554-L758 HydrophobicContact CB-CD2 4.46Å; L554-L758 HydrophobicContact CD1-CD2 3.87Å; L554-L758 HydrophobicContact CD2-CD2 3.95Å; L554-L758 HydrophobicContact CG-CD2 4.3Å; L554-L766 HydrophobicContact CD1-CD1 4.42Å; L554-L766 HydrophobicContact CD1-CD2 4.43Å
555	N	40.7	Very low	37.5	Very low	51 Å²	51	100.4 Å²	100.4	27%	0.273	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-28.4	169.3	-69.8	-30.3	0	0	0	112.5	D552 S553 I557 H629 R756	D552-N555 WeakPolarHBondContact O-CB 3.25Å; D552-N555 PolarHBondContact O-N 3.39Å; S553-N555 VanDerWaalsContact C-N 3.35Å; N555-I557 PolarHBondContact O-N 3.17Å; N555-H629 PolarHBondContact ND2-CE1 2.95Å; N555-H629 PolarHBondContact ND2-NE2 3.34Å; N555-R756 PolarHBondContact OD1-NH1 3.05Å
556	K	38.4	Very low	37.2	Very low	106 Å²	106	99.3 Å²	99.3	46%	0.461	54%	0.535	S	S	.	.			trans	-82.1	31.9	-179	-58.2	-156.5	-176.8	-165.4	0	114	S558 E595	K556-S558 PolarHBondContact O-N 2.96Å; K556-E595 VanDerWaalsContact CE-OE1 3.31Å; K556-E595 WeakPolarHBondContact CE-OE1 3.31Å; K556-E595 IonicContact NZ-OE1 2.81Å; K556-E595 PolarHBondContact NZ-OE1 3Å; K556-E595 IonicContact NZ-OE2 3.89Å; K556-E595 PolarHBondContact NZ-OE2 2.89Å; K556-E595 VanDerWaalsContact NZ-OE2 3.12Å
557	I	41.2	Very low	37.6	Very low	100 Å²	100	100.4 Å²	100.4	51%	0.513	55%	0.547	S	S	.	.	S	Bend	trans	-76.8	108	154.8	-61	179.6	0	0	0	105.7	N555	N555-I557 PolarHBondContact O-N 3.17Å
558	S	32	Very low	37.6	Very low	88 Å²	88	100.7 Å²	100.7	62%	0.615	55%	0.553	S	S	*	*			trans	-46.4	149.9	-164.9	-49.7	0	0	0	0	116.5	K556 V560	K556-S558 PolarHBondContact O-N 2.96Å; S558-V560 VanDerWaalsContact CB-CG2 3.5Å; S558-V560 PolarHBondContact O-N 3.14Å
559	K	36.3	Very low	37.7	Very low	207 Å²	207	106.9 Å²	106.9	90%	0.9	58%	0.584	S	S	*	*			trans	-60	82.3	147.2	-68.8	-169	177.8	-169	0	109
560	V	31.1	Very low	38.1	Very low	103 Å²	103	111.8 Å²	111.8	62%	0.624	61%	0.607	S	S	*	*			trans	-118.4	103.1	172.9	160	0	0	0	0	107.2	S558	S558-V560 VanDerWaalsContact CB-CG2 3.5Å; S558-V560 PolarHBondContact O-N 3.14Å
561	N	32.3	Very low	38.2	Very low	122 Å²	122	110.9 Å²	110.9	65%	0.652	61%	0.608	S	S	*	*			trans	58.7	76.5	153.8	-57.3	49	0	0	0	114.9	S563	N561-S563 PolarHBondContact O-N 3.14Å
562	E	35.9	Very low	38.2	Very low	205 Å²	205	114.8 Å²	114.8	96%	0.958	63%	0.632	S	S	*	*	S	Bend	trans	-65.2	60	155	-172	165.7	-111.8	0	0	109.4
563	S	37.6	Very low	38.4	Very low	86 Å²	86	117.2 Å²	117.2	60%	0.601	66%	0.664	S	S	*	*			trans	-158	29.9	-160.3	-45.3	0	0	0	0	114.2	N561	N561-S563 PolarHBondContact O-N 3.14Å
564	T	43.1	Very low	38.7	Very low	138 Å²	138	118.7 Å²	118.7	85%	0.847	67%	0.67	S	S	*	*			trans	-156.3	66.8	154	53	0	0	0	0	109	S566	T564-S566 PolarHBondContact O-N 2.86Å
565	E	37.4	Very low	39.3	Very low	188 Å²	188	120 Å²	120	88%	0.879	68%	0.677	S	S	*	*			trans	-74.3	109.6	155.9	-171.3	174.6	151.9	0	0	106.9
566	S	33.6	Very low	40.2	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	70%	0.699	S	S	*	*			trans	-85	124.6	173.8	-177	0	0	0	0	107.9	T564 T568	T564-S566 PolarHBondContact O-N 2.86Å; S566-T568 PolarHBondContact O-N 3.01Å
567	L	41.2	Very low	41.4	Very low	167 Å²	167	123.9 Å²	123.9	87%	0.874	70%	0.7	S	S	*	*			trans	-52.6	110.3	175.2	-64.7	170	0	0	0	110.5
568	T	36.5	Very low	42.6	Very low	113 Å²	113	119.8 Å²	119.8	69%	0.693	68%	0.679	S	S	*	*			trans	-132.6	95.3	163.4	55.7	0	0	0	0	108	S566 E570	S566-T568 PolarHBondContact O-N 3.01Å; T568-E570 VanDerWaalsContact C-N 3.27Å; T568-E570 PolarHBondContact O-N 3.01Å
569	D	40.8	Very low	44.5	Very low	155 Å²	155	117.7 Å²	117.7	83%	0.829	67%	0.671	S	S	*	*			trans	-69.8	81.9	174	-179.8	24.2	0	0	0	110.1
570	E	45.6	Very low	46.6	Very low	176 Å²	176	113.9 Å²	113.9	82%	0.822	66%	0.656	S	S	*	*			trans	-139.2	72.6	-175.3	-86.9	-75.1	177.7	0	0	110.6	T568	T568-E570 VanDerWaalsContact C-N 3.27Å; T568-E570 PolarHBondContact O-N 3.01Å
571	G	40.4	Very low	48.9	Very low	46 Å²	46	110.3 Å²	110.3	47%	0.474	63%	0.634	S	S	.	*			trans	102.5	63.2	153.5	0	0	0	0	0	118.4	G573 T574	G571-G573 PolarHBondContact O-N 3.26Å; G571-T574 PolarHBondContact O-N 3.44Å
572	V	40	Very low	51	Low	121 Å²	121	106.8 Å²	106.8	73%	0.733	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-21.3	170.7	178	0	0	0	0	114.1	T574	V572-T574 PolarHBondContact O-N 3.26Å
573	G	41.1	Very low	53	Low	78 Å²	78	98.5 Å²	98.5	80%	0.804	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-2.5	-174.2	0	0	0	0	0	118.3	G571	G571-G573 PolarHBondContact O-N 3.26Å
574	T	45.8	Very low	54.9	Low	89 Å²	89	97.9 Å²	97.9	55%	0.546	57%	0.574	S	S	.	*	S	Bend	trans	-125.8	-10.3	-177.8	54.6	0	0	0	0	116.5	G571 V572	G571-T574 PolarHBondContact O-N 3.44Å; V572-T574 PolarHBondContact O-N 3.26Å
575	D	55.1	Low	56.6	Low	86 Å²	86	91.3 Å²	91.3	46%	0.46	53%	0.534	S	S	.	.			trans	-104.9	-5.8	-168	-142.6	34.9	0	0	0	114.8	N577 E578 G579	D575-N577 PolarHBondContact O-N 3.34Å; D575-N577 VanDerWaalsContact O-N 3.1Å; D575-E578 PolarHBondContact O-N 3.43Å; D575-G579 PolarHBondContact O-N 3.35Å
576	M	59.8	Low	58.5	Low	149 Å²	149	86.8 Å²	86.8	73%	0.734	51%	0.512	S	S	*	.	H	α-helix	trans	-55.6	-33.5	-177.9	-62.7	-168.2	76.9	0	0	113.4	Q580	M576-Q580 WeakPolarHBondContact O-CB 2.95Å; M576-Q580 PolarHBondContact O-N 3.15Å
577	N	62.9	Low	60.4	Low	90 Å²	90	87.2 Å²	87.2	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-72.2	-36.7	176.7	-68.5	-50	0	0	0	112.9	D575 L581 Q643	D575-N577 PolarHBondContact O-N 3.34Å; D575-N577 VanDerWaalsContact O-N 3.1Å; N577-L581 WeakPolarHBondContact O-CB 3.36Å; N577-L581 PolarHBondContact O-N 3.24Å; N577-Q643 PolarHBondContact ND2-NE2 2.81Å
578	E	67	Low	61.7	Low	13 Å²	13	81.4 Å²	81.4	6%	0.061	48%	0.475	C	S	.	.	H	α-helix	trans	-70.8	-38.5	173.7	-74.9	-166.1	-142.9	0	0	110.9	D575 L581 L582 V640 K749 S752 V754	D575-E578 PolarHBondContact O-N 3.43Å; E578-L581 PolarHBondContact O-N 3.29Å; E578-L582 VanDerWaalsContact O-CB 3.31Å; E578-L582 WeakPolarHBondContact O-CB 3.44Å; E578-L582 PolarHBondContact O-N 3.28Å; E578-V640 HydrophobicContact CG-CG1 4.49Å; E578-V640 HydrophobicContact CG-CG2 4.39Å; E578-K749 WeakPolarHBondContact OE1-CD 3.38Å; E578-K749 WeakPolarHBondContact OE1-CE 3.45Å; E578-K749 IonicContact OE1-NZ 3.66Å; E578-K749 PolarHBondContact OE1-NZ 3.35Å; E578-S752 WeakPolarHBondContact OE2-CB 3.5Å; E578-S752 PolarHBondContact OE2-OG 3Å; E578-V754 WeakPolarHBondContact OE2-CG1 3.41Å
579	G	70.9	Confident	63.3	Low	44 Å²	44	77.4 Å²	77.4	45%	0.454	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-46.9	173.7	0	0	0	0	0	113	D575 L582 G583	D575-G579 PolarHBondContact O-N 3.35Å; G579-L582 PolarHBondContact O-N 3.21Å; G579-G583 PolarHBondContact O-N 2.94Å
580	Q	80.6	Confident	64.6	Low	127 Å²	127	75.9 Å²	75.9	59%	0.593	44%	0.437	S	S	*	.	H	α-helix	trans	-64.2	-45.4	175.6	-175.5	171.1	2.7	0	0	111.7	M576 L582 G583 D584	M576-Q580 WeakPolarHBondContact O-CB 2.95Å; M576-Q580 PolarHBondContact O-N 3.15Å; Q580-L582 VanDerWaalsContact C-N 3.26Å; Q580-L582 PolarHBondContact O-N 3.17Å; Q580-G583 PolarHBondContact O-N 3.08Å; Q580-G583 VanDerWaalsContact O-N 3.14Å; Q580-D584 PolarHBondContact O-N 3.43Å
581	L	79.2	Confident	65.5	Low	28 Å²	28	72.5 Å²	72.5	15%	0.147	42%	0.421	C	S	.	.	H	α-helix	trans	-60.2	-36.4	177	-167.3	81.3	0	0	0	111.9	N577 E578 F585 V640 V754	N577-L581 WeakPolarHBondContact O-CB 3.36Å; N577-L581 PolarHBondContact O-N 3.24Å; E578-L581 PolarHBondContact O-N 3.29Å; L581-F585 HydrophobicContact CD1-CE2 4.42Å; L581-F585 HydrophobicContact CD1-CZ 4.14Å; L581-F585 HydrophobicContact CD2-CE2 3.63Å; L581-F585 HydrophobicContact CD2-CZ 3.92Å; L581-F585 HydrophobicContact CG-CD2 4.21Å; L581-F585 HydrophobicContact CG-CE2 3.55Å; L581-F585 HydrophobicContact CG-CZ 3.77Å; L581-F585 WeakPolarHBondContact O-CB 3.5Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 WeakPolarHBondContact O-CG 3.26Å; L581-F585 PolarHBondContact O-N 2.8Å; L581-V640 HydrophobicContact CD2-CG2 3.63Å; L581-V754 HydrophobicContact CD2-CG2 4.32Å
582	L	76.4	Confident	67.2	Low	49 Å²	49	70.5 Å²	70.5	26%	0.257	40%	0.4	S	S	.	.	H	α-helix	trans	-68.2	-43.2	174.7	-174.9	62	0	0	0	111.7	E578 G579 Q580 F585 E586 V754	E578-L582 VanDerWaalsContact O-CB 3.31Å; E578-L582 WeakPolarHBondContact O-CB 3.44Å; E578-L582 PolarHBondContact O-N 3.28Å; G579-L582 PolarHBondContact O-N 3.21Å; Q580-L582 VanDerWaalsContact C-N 3.26Å; Q580-L582 PolarHBondContact O-N 3.17Å; L582-F585 WeakPolarHBondContact O-CB 3.31Å; L582-F585 PolarHBondContact O-N 3.11Å; L582-E586 PolarHBondContact O-N 3.02Å; L582-V754 HydrophobicContact CB-CG2 4.47Å; L582-V754 HydrophobicContact CD1-CG2 4.3Å
583	G	77.1	Confident	68.8	Low	30 Å²	30	70.4 Å²	70.4	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-46.3	174	0	0	0	0	0	113.1	G579 Q580 F585 E586 I587	G579-G583 PolarHBondContact O-N 2.94Å; Q580-G583 PolarHBondContact O-N 3.08Å; Q580-G583 VanDerWaalsContact O-N 3.14Å; G583-F585 VanDerWaalsContact C-N 3.33Å; G583-F585 PolarHBondContact O-N 3.09Å; G583-E586 WeakPolarHBondContact O-CB 3.42Å; G583-E586 PolarHBondContact O-N 3.39Å; G583-E586 VanDerWaalsContact O-N 3.14Å; G583-I587 WeakPolarHBondContact O-CG1 3.45Å; G583-I587 PolarHBondContact O-N 3.21Å
584	D	78.9	Confident	70.7	Confident	73 Å²	73	67.7 Å²	67.7	39%	0.39	36%	0.361	S	S	.	.	H	α-helix	trans	-57.9	-46	173.3	-74.3	-12	0	0	0	111.1	Q580 E586 I587 E588	Q580-D584 PolarHBondContact O-N 3.43Å; D584-E586 VanDerWaalsContact C-N 3.29Å; D584-E586 PolarHBondContact O-N 3.08Å; D584-I587 PolarHBondContact O-N 2.97Å; D584-E588 PolarHBondContact O-N 3.37Å
585	F	79.3	Confident	72.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-31.9	176.5	-71	-35	0	0	0	113.4	L581 L582 G583 S589 R632 K635 I636 V754	L581-F585 HydrophobicContact CD1-CE2 4.42Å; L581-F585 HydrophobicContact CD1-CZ 4.14Å; L581-F585 HydrophobicContact CD2-CE2 3.63Å; L581-F585 HydrophobicContact CD2-CZ 3.92Å; L581-F585 HydrophobicContact CG-CD2 4.21Å; L581-F585 HydrophobicContact CG-CE2 3.55Å; L581-F585 HydrophobicContact CG-CZ 3.77Å; L581-F585 WeakPolarHBondContact O-CB 3.5Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 WeakPolarHBondContact O-CG 3.26Å; L581-F585 PolarHBondContact O-N 2.8Å; L582-F585 WeakPolarHBondContact O-CB 3.31Å; L582-F585 PolarHBondContact O-N 3.11Å; G583-F585 VanDerWaalsContact C-N 3.33Å; G583-F585 PolarHBondContact O-N 3.09Å; F585-S589 WeakPolarHBondContact O-CB 3.48Å; F585-S589 PolarHBondContact O-N 3.35Å; F585-R632 HydrophobicContact CD1-CB 4.25Å; F585-R632 HydrophobicContact CD1-CG 3.77Å; F585-R632 HydrophobicContact CD2-CG 4.34Å; F585-R632 HydrophobicContact CE1-CB 3.95Å; F585-R632 HydrophobicContact CE1-CG 3.57Å; F585-R632 HydrophobicContact CE2-CG 4.16Å; F585-R632 HydrophobicContact CG-CG 4.17Å; F585-R632 HydrophobicContact CZ-CG 3.79Å; F585-K635 HydrophobicContact CD1-CD 4.47Å; F585-K635 HydrophobicContact CE1-CB 3.7Å; F585-K635 HydrophobicContact CE1-CD 3.61Å; F585-K635 HydrophobicContact CE1-CG 4.32Å; F585-K635 HydrophobicContact CZ-CB 3.65Å; F585-K635 HydrophobicContact CZ-CD 4.39Å; F585-I636 HydrophobicContact CE2-CD1 4.2Å; F585-I636 HydrophobicContact CE2-CG1 3.64Å; F585-I636 HydrophobicContact CZ-CD1 4.42Å; F585-I636 HydrophobicContact CZ-CG1 3.75Å; F585-V754 HydrophobicContact CD2-CG2 3.89Å; F585-V754 HydrophobicContact CE2-CG2 3.75Å
586	E	76.8	Confident	74.2	Confident	93 Å²	93	65.4 Å²	65.4	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-70.5	-41.5	173.7	-80.5	-170	-153.9	0	0	112.2	L582 G583 D584 S589 K590	L582-E586 PolarHBondContact O-N 3.02Å; G583-E586 WeakPolarHBondContact O-CB 3.42Å; G583-E586 PolarHBondContact O-N 3.39Å; G583-E586 VanDerWaalsContact O-N 3.14Å; D584-E586 VanDerWaalsContact C-N 3.29Å; D584-E586 PolarHBondContact O-N 3.08Å; E586-S589 PolarHBondContact O-N 2.86Å; E586-K590 WeakPolarHBondContact O-CB 3.34Å; E586-K590 VanDerWaalsContact O-CD 3.26Å; E586-K590 WeakPolarHBondContact O-CD 3.49Å; E586-K590 WeakPolarHBondContact O-CG 3.44Å; E586-K590 PolarHBondContact O-N 3.42Å; E586-K590 IonicContact OE2-NZ 3.48Å; E586-K590 PolarHBondContact OE2-NZ 2.63Å
587	I	73	Confident	75.9	Confident	104 Å²	104	58.3 Å²	58.3	53%	0.533	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-44.6	176.8	-66	164	0	0	0	110.2	G583 D584	G583-I587 WeakPolarHBondContact O-CG1 3.45Å; G583-I587 PolarHBondContact O-N 3.21Å; D584-I587 PolarHBondContact O-N 2.97Å
588	E	68	Low	77.3	Confident	46 Å²	46	55.9 Å²	55.9	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-40.4	173.3	-67.4	-177.2	149.8	0	0	111.8	D584 K590 Q591 F628 K635	D584-E588 PolarHBondContact O-N 3.37Å; E588-K590 PolarHBondContact O-N 3.06Å; E588-Q591 PolarHBondContact O-N 3.49Å; E588-F628 HydrophobicContact CB-CD2 4.34Å; E588-F628 HydrophobicContact CB-CE2 3.48Å; E588-F628 VanDerWaalsContact CB-CE2 3.48Å; E588-F628 HydrophobicContact CB-CZ 3.99Å; E588-F628 HydrophobicContact CG-CE2 4.48Å; E588-K635 IonicContact OE1-NZ 2.86Å; E588-K635 PolarHBondContact OE1-NZ 3.09Å; E588-K635 IonicContact OE2-NZ 2.63Å; E588-K635 PolarHBondContact OE2-NZ 3.33Å
589	S	71.3	Confident	78.5	Confident	28 Å²	28	63 Å²	63	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-40.5	179.5	-177	0	0	0	0	112.7	F585 E586 Q591 L592 E593	F585-S589 WeakPolarHBondContact O-CB 3.48Å; F585-S589 PolarHBondContact O-N 3.35Å; E586-S589 PolarHBondContact O-N 2.86Å; S589-Q591 PolarHBondContact O-N 3.44Å; S589-L592 CarbonylContact O-C 3.55Å; S589-L592 PolarHBondContact O-N 2.97Å; S589-E593 WeakPolarHBondContact O-CB 3.29Å; S589-E593 PolarHBondContact O-N 2.85Å
590	K	68	Low	79.4	Confident	124 Å²	124	62.4 Å²	62.4	54%	0.539	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.5	179.7	-74.3	156.3	-167.3	163.5	0	112.8	E586 E588 E593	E586-K590 WeakPolarHBondContact O-CB 3.34Å; E586-K590 VanDerWaalsContact O-CD 3.26Å; E586-K590 WeakPolarHBondContact O-CD 3.49Å; E586-K590 WeakPolarHBondContact O-CG 3.44Å; E586-K590 PolarHBondContact O-N 3.42Å; E586-K590 IonicContact OE2-NZ 3.48Å; E586-K590 PolarHBondContact OE2-NZ 2.63Å; E588-K590 PolarHBondContact O-N 3.06Å; K590-E593 WeakPolarHBondContact CG-OE1 3.48Å
591	Q	64.3	Low	79.9	Confident	104 Å²	104	56.9 Å²	56.9	49%	0.486	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.2	174.8	-56.4	-168.8	17.4	0	0	115.3	E588 S589 I600 K681	E588-Q591 PolarHBondContact O-N 3.49Å; S589-Q591 PolarHBondContact O-N 3.44Å; Q591-I600 WeakPolarHBondContact O-CD1 3.32Å; Q591-K681 PolarHBondContact O-NZ 3.02Å; Q591-K681 VanDerWaalsContact O-NZ 3.14Å
592	L	76.5	Confident	80.6	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	15.1	-173.1	-69.4	178.2	0	0	0	114.2	S589 A594 Y621 M624 Q625 F628 F674	S589-L592 CarbonylContact O-C 3.55Å; S589-L592 PolarHBondContact O-N 2.97Å; L592-A594 PolarHBondContact O-N 2.78Å; L592-A594 VanDerWaalsContact O-N 3.16Å; L592-Y621 HydrophobicContact CD2-CE2 3.97Å; L592-Y621 PolarHBondContact O-OH 2.9Å; L592-M624 HydrophobicContact CD1-CG 4.33Å; L592-M624 HydrophobicContact CD2-CE 3.68Å; L592-M624 HydrophobicContact CD2-CG 4.11Å; L592-M624 HydrophobicContact CD2-SD 3.97Å; L592-Q625 PolarHBondContact O-NE2 3.33Å; L592-F628 HydrophobicContact CB-CD1 4.41Å; L592-F628 HydrophobicContact CD1-CB 3.62Å; L592-F628 HydrophobicContact CD1-CD1 4.09Å; L592-F628 HydrophobicContact CD1-CG 3.86Å; L592-F674 HydrophobicContact CD1-CE2 3.8Å; L592-F674 HydrophobicContact CD1-CZ 3.64Å
593	E	72.1	Confident	81.3	Confident	120 Å²	120	60.6 Å²	60.6	56%	0.561	31%	0.313	S	S	*	.			trans	-64.4	-17	-174	-120.8	175.6	-109.7	0	0	115.2	S589 K590	S589-E593 WeakPolarHBondContact O-CB 3.29Å; S589-E593 PolarHBondContact O-N 2.85Å; K590-E593 WeakPolarHBondContact CG-OE1 3.48Å
594	A	81.9	Confident	82.1	Confident	21 Å²	21	66.8 Å²	66.8	17%	0.174	33%	0.331	C	S	.	.	S	Bend	trans	-75.8	136.8	-176.9	0	0	0	0	0	112.2	L592 S596 R599 I600 Y621 Q625	L592-A594 PolarHBondContact O-N 2.78Å; L592-A594 VanDerWaalsContact O-N 3.16Å; A594-S596 PolarHBondContact O-N 3.43Å; A594-S596 VanDerWaalsContact O-N 3.08Å; A594-R599 HydrophobicContact CB-CB 4.08Å; A594-I600 HydrophobicContact CB-CB 3.79Å; A594-Y621 WeakPolarHBondContact O-CE1 3.33Å; A594-Y621 PolarHBondContact O-OH 2.87Å; A594-Q625 PolarHBondContact O-NE2 2.55Å
595	E	84	Confident	82.8	Confident	107 Å²	107	64.2 Å²	64.2	50%	0.5	32%	0.317	S	S	.	.	S	Bend	trans	-67.1	-8.2	178	-54.2	-169.4	155.5	0	0	114.7	K556 R599	K556-E595 VanDerWaalsContact CE-OE1 3.31Å; K556-E595 WeakPolarHBondContact CE-OE1 3.31Å; K556-E595 IonicContact NZ-OE1 2.81Å; K556-E595 PolarHBondContact NZ-OE1 3Å; K556-E595 IonicContact NZ-OE2 3.89Å; K556-E595 PolarHBondContact NZ-OE2 2.89Å; K556-E595 VanDerWaalsContact NZ-OE2 3.12Å; E595-R599 IonicContact OE2-CZ 2.71Å; E595-R599 IonicContact OE2-NH1 3.42Å; E595-R599 PolarHBondContact OE2-NH1 3.02Å; E595-R599 IonicContact OE2-NH2 3.28Å
596	S	90.8	Very high	83.5	Confident	20 Å²	20	66.5 Å²	66.5	14%	0.14	33%	0.329	C	S	.	.	S	Bend	trans	-163.2	157.3	-176.7	65.7	0	0	0	0	111.8	A594 S598 R599 I600 E618	A594-S596 PolarHBondContact O-N 3.43Å; A594-S596 VanDerWaalsContact O-N 3.08Å; S596-S598 VanDerWaalsContact C-N 3.28Å; S596-S598 PolarHBondContact O-N 2.83Å; S596-S598 PolarHBondContact OG-OG 3.28Å; S596-R599 PolarHBondContact O-N 3.49Å; S596-R599 WeakPolarHBondContact OG-CG 3.12Å; S596-R599 PolarHBondContact OG-N 3.3Å; S596-I600 PolarHBondContact O-N 2.85Å; S596-E618 WeakPolarHBondContact CA-OE2 3.48Å; S596-E618 WeakPolarHBondContact CB-OE2 3.47Å
597	W	94.8	Very high	84.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-42.5	173.8	179.7	77.3	0	0	0	111.3	R599 I600 I601 F605 L606 Q609 V614 Q617 E618 Y621 F693	W597-R599 PolarHBondContact O-N 2.87Å; W597-I600 VanDerWaalsContact O-CG2 3.3Å; W597-I600 WeakPolarHBondContact O-CG2 3.28Å; W597-I600 PolarHBondContact O-N 2.66Å; W597-I601 HydrophobicContact CD2-CD1 4.09Å; W597-I601 HydrophobicContact CD2-CG2 4.44Å; W597-I601 HydrophobicContact CE3-CD1 3.83Å; W597-I601 HydrophobicContact CH2-CD1 3.52Å; W597-I601 HydrophobicContact CZ2-CD1 3.74Å; W597-I601 HydrophobicContact CZ2-CG2 4.19Å; W597-I601 HydrophobicContact CZ3-CD1 3.54Å; W597-I601 PolarHBondContact O-N 2.93Å; W597-F605 HydrophobicContact CZ2-CE1 4.29Å; W597-L606 HydrophobicContact CZ3-CD1 4.28Å; W597-Q609 HydrophobicContact CH2-CG 4.09Å; W597-V614 HydrophobicContact CE3-CG1 4.31Å; W597-V614 HydrophobicContact CZ3-CB 4.32Å; W597-V614 HydrophobicContact CZ3-CG1 4.24Å; W597-V614 HydrophobicContact CZ3-CG2 4.14Å; W597-Q617 HydrophobicContact CD2-CB 3.35Å; W597-Q617 HydrophobicContact CD2-CG 4.14Å; W597-Q617 VanDerWaalsContact CE2-CB 3.47Å; W597-Q617 HydrophobicContact CE3-CB 3.65Å; W597-Q617 HydrophobicContact CE3-CG 4.35Å; W597-Q617 HydrophobicContact CG-CB 3.75Å; W597-Q617 HydrophobicContact CH2-CB 4.06Å; W597-Q617 HydrophobicContact CH2-CG 3.84Å; W597-Q617 HydrophobicContact CZ2-CB 3.84Å; W597-Q617 HydrophobicContact CZ2-CG 3.63Å; W597-Q617 HydrophobicContact CZ3-CB 3.99Å; W597-Q617 HydrophobicContact CZ3-CG 4.22Å; W597-E618 HydrophobicContact CB-CG 4.32Å; W597-E618 PolarHBondContact N-OE1 2.71Å; W597-E618 PolarHBondContact N-OE2 3.36Å; W597-Y621 HydrophobicContact CB-CD2 4.39Å; W597-Y621 HydrophobicContact CB-CG 4.05Å; W597-F693 AromaticContact CD1-CE2 3.44Å; W597-F693 VanDerWaalsContact CD1-CE2 3.44Å; W597-F693 AromaticContact CD1-CZ 3.49Å; W597-F693 VanDerWaalsContact CD1-CZ 3.49Å; W597-F693 VanDerWaalsContact CZ2-O 3.28Å; W597-F693 WeakPolarHBondContact CZ2-O 3.37Å; W597-F693 AromaticContact NE1-CD2 3.79Å; W597-F693 AromaticContact NE1-CE2 3.45Å; W597-F693 AromaticContact NE1-CZ 3.76Å; W597-F693 PolarHBondContact NE1-O 3.23Å; W597-F693 VanDerWaalsContact NE1-O 3.14Å
598	S	92.7	Very high	85.4	Confident	38 Å²	38	71.7 Å²	71.7	27%	0.266	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-5.7	173.5	50.2	0	0	0	0	115.7	S596 E618	S596-S598 VanDerWaalsContact C-N 3.28Å; S596-S598 PolarHBondContact O-N 2.83Å; S596-S598 PolarHBondContact OG-OG 3.28Å; S598-E618 WeakPolarHBondContact CB-OE1 3.49Å; S598-E618 PolarHBondContact N-OE1 3Å; S598-E618 PolarHBondContact OG-OE1 3.39Å
599	R	91.6	Very high	86.7	Confident	162 Å²	162	71.4 Å²	71.4	61%	0.611	35%	0.346	S	S	*	.	H	α-helix	trans	-113.7	-16.9	176.1	-75.6	179.1	179.4	-178.2	9.6	115	A594 E595 S596 W597	A594-R599 HydrophobicContact CB-CB 4.08Å; E595-R599 IonicContact OE2-CZ 2.71Å; E595-R599 IonicContact OE2-NH1 3.42Å; E595-R599 PolarHBondContact OE2-NH1 3.02Å; E595-R599 IonicContact OE2-NH2 3.28Å; S596-R599 PolarHBondContact O-N 3.49Å; S596-R599 WeakPolarHBondContact OG-CG 3.12Å; S596-R599 PolarHBondContact OG-N 3.3Å; W597-R599 PolarHBondContact O-N 2.87Å
600	I	90.3	Very high	87.8	Confident	33 Å²	33	77.1 Å²	77.1	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-84.9	-29.7	173.5	-171.4	164.4	0	0	0	112	Q591 A594 S596 W597 Y621 F693	Q591-I600 WeakPolarHBondContact O-CD1 3.32Å; A594-I600 HydrophobicContact CB-CB 3.79Å; S596-I600 PolarHBondContact O-N 2.85Å; W597-I600 VanDerWaalsContact O-CG2 3.3Å; W597-I600 WeakPolarHBondContact O-CG2 3.28Å; W597-I600 PolarHBondContact O-N 2.66Å; I600-Y621 HydrophobicContact CD1-CE2 4.22Å; I600-Y621 HydrophobicContact CG2-CD2 4.48Å; I600-Y621 HydrophobicContact CG2-CE2 3.89Å; I600-F693 HydrophobicContact CD1-CE1 4.22Å; I600-F693 HydrophobicContact CG1-CE1 4.4Å; I600-F693 HydrophobicContact CG2-CE1 3.77Å; I600-F693 HydrophobicContact CG2-CZ 3.9Å
601	I	91.9	Very high	89	Confident	10 Å²	10	80 Å²	80	5%	0.051	38%	0.38	C	S	.	.	S	Bend	trans	-85	159.4	176.3	70.1	175.2	0	0	0	112.8	W597 F605 L606	W597-I601 HydrophobicContact CD2-CD1 4.09Å; W597-I601 HydrophobicContact CD2-CG2 4.44Å; W597-I601 HydrophobicContact CE3-CD1 3.83Å; W597-I601 HydrophobicContact CH2-CD1 3.52Å; W597-I601 HydrophobicContact CZ2-CD1 3.74Å; W597-I601 HydrophobicContact CZ2-CG2 4.19Å; W597-I601 HydrophobicContact CZ3-CD1 3.54Å; W597-I601 PolarHBondContact O-N 2.93Å; I601-F605 HydrophobicContact CB-CD1 4.15Å; I601-F605 HydrophobicContact CD1-CD1 3.88Å; I601-F605 HydrophobicContact CD1-CE1 4.44Å; I601-F605 HydrophobicContact CG2-CD1 4.44Å; I601-L606 HydrophobicContact CD1-CB 3.78Å; I601-L606 HydrophobicContact CD1-CD1 4.03Å; I601-L606 HydrophobicContact CD1-CG 4.46Å; I601-L606 HydrophobicContact CG1-CB 4.18Å
602	D	92.6	Very high	90.4	Very high	70 Å²	70	77.5 Å²	77.5	37%	0.374	37%	0.37	S	S	.	.			trans	-68.1	139.8	177.9	-67.1	-42.6	0	0	0	112.3	K604 F605 L606 N692	D602-K604 PolarHBondContact O-N 2.66Å; D602-K604 VanDerWaalsContact O-N 3.08Å; D602-F605 HydrophobicContact CB-CB 4.43Å; D602-F605 PolarHBondContact O-N 3.3Å; D602-L606 PolarHBondContact O-N 3.01Å; D602-N692 PolarHBondContact N-OD1 3.33Å; D602-N692 PolarHBondContact OD2-ND2 2.92Å
603	S	92.1	Very high	91.3	Very high	85 Å²	85	79.4 Å²	79.4	59%	0.594	38%	0.382	S	S	*	.	H	α-helix	trans	-61.3	-22.3	179.8	71.1	0	0	0	0	114.3	K607	S603-K607 WeakPolarHBondContact O-CD 3.37Å; S603-K607 VanDerWaalsContact O-CG 3.25Å; S603-K607 WeakPolarHBondContact O-CG 3.33Å; S603-K607 PolarHBondContact O-N 3.39Å
604	K	92.8	Very high	92.4	Very high	161 Å²	161	75.1 Å²	75.1	70%	0.7	36%	0.364	S	S	*	.	H	α-helix	trans	-71.4	-44.1	171.6	-174.6	-176.7	177.4	-172.4	0	111.2	D602	D602-K604 PolarHBondContact O-N 2.66Å; D602-K604 VanDerWaalsContact O-N 3.08Å
605	F	93.9	Very high	93.1	Very high	19 Å²	19	77.8 Å²	77.8	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-69.2	-43.8	178.6	-176.9	-115.9	0	0	0	111.3	W597 I601 D602 K607 Q608 Q609 V686 N692 L694	W597-F605 HydrophobicContact CZ2-CE1 4.29Å; I601-F605 HydrophobicContact CB-CD1 4.15Å; I601-F605 HydrophobicContact CD1-CD1 3.88Å; I601-F605 HydrophobicContact CD1-CE1 4.44Å; I601-F605 HydrophobicContact CG2-CD1 4.44Å; D602-F605 HydrophobicContact CB-CB 4.43Å; D602-F605 PolarHBondContact O-N 3.3Å; F605-K607 VanDerWaalsContact C-N 3.29Å; F605-K607 PolarHBondContact O-N 3.28Å; F605-Q608 WeakPolarHBondContact O-CB 3.43Å; F605-Q608 PolarHBondContact O-N 2.95Å; F605-Q609 VanDerWaalsContact CE2-NE2 3.26Å; F605-Q609 WeakPolarHBondContact O-CG 3.4Å; F605-Q609 PolarHBondContact O-NE2 3.4Å; F605-V686 HydrophobicContact CE2-CB 4.38Å; F605-V686 HydrophobicContact CE2-CG1 3.98Å; F605-V686 HydrophobicContact CE2-CG2 4.34Å; F605-V686 HydrophobicContact CZ-CB 4.38Å; F605-V686 HydrophobicContact CZ-CG1 4.41Å; F605-V686 HydrophobicContact CZ-CG2 3.94Å; F605-N692 HydrophobicContact CD1-CB 3.83Å; F605-N692 HydrophobicContact CE1-CB 4.13Å; F605-N692 HydrophobicContact CG-CB 4.11Å; F605-L694 HydrophobicContact CZ-CB 4.21Å; F605-L694 HydrophobicContact CZ-CD1 4.11Å
606	L	94.1	Very high	93.7	Very high	48 Å²	48	73.6 Å²	73.6	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-54.9	-41.9	176.1	176.7	62	0	0	0	112.7	W597 I601 D602 Q608 Q609 V614	W597-L606 HydrophobicContact CZ3-CD1 4.28Å; I601-L606 HydrophobicContact CD1-CB 3.78Å; I601-L606 HydrophobicContact CD1-CD1 4.03Å; I601-L606 HydrophobicContact CD1-CG 4.46Å; I601-L606 HydrophobicContact CG1-CB 4.18Å; D602-L606 PolarHBondContact O-N 3.01Å; L606-Q608 PolarHBondContact O-N 3.45Å; L606-Q609 PolarHBondContact O-N 2.85Å; L606-Q609 VanDerWaalsContact O-N 3.13Å; L606-V614 HydrophobicContact CD1-CG1 4.27Å; L606-V614 HydrophobicContact CD1-CG2 4.02Å
607	K	94.4	Very high	94	Very high	179 Å²	179	72.7 Å²	72.7	78%	0.778	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.8	179.9	-76.5	171.3	-176.8	176.2	0	114.2	S603 F605	S603-K607 WeakPolarHBondContact O-CD 3.37Å; S603-K607 VanDerWaalsContact O-CG 3.25Å; S603-K607 WeakPolarHBondContact O-CG 3.33Å; S603-K607 PolarHBondContact O-N 3.39Å; F605-K607 VanDerWaalsContact C-N 3.29Å; F605-K607 PolarHBondContact O-N 3.28Å
608	Q	94.5	Very high	94.1	Very high	126 Å²	126	75 Å²	75	59%	0.589	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.2	177.4	-62.6	164.5	-27.7	0	0	112.4	F605 L606	F605-Q608 WeakPolarHBondContact O-CB 3.43Å; F605-Q608 PolarHBondContact O-N 2.95Å; L606-Q608 PolarHBondContact O-N 3.45Å
609	Q	95.1	Very high	94.4	Very high	40 Å²	40	73.8 Å²	73.8	19%	0.187	35%	0.346	C	S	.	.	S	Bend	trans	-93.1	140.5	-170.1	-51.5	-54.2	-35.5	0	0	113	W597 F605 L606 V614 L694	W597-Q609 HydrophobicContact CH2-CG 4.09Å; F605-Q609 VanDerWaalsContact CE2-NE2 3.26Å; F605-Q609 WeakPolarHBondContact O-CG 3.4Å; F605-Q609 PolarHBondContact O-NE2 3.4Å; L606-Q609 PolarHBondContact O-N 2.85Å; L606-Q609 VanDerWaalsContact O-N 3.13Å; Q609-V614 HydrophobicContact CB-CG2 3.67Å; Q609-L694 VanDerWaalsContact OE1-CD1 3.3Å
610	K	94.4	Very high	94.7	Very high	149 Å²	149	66.1 Å²	66.1	65%	0.648	32%	0.318	S	S	*	.			trans	-68.9	147.7	171.9	-60.2	-179.7	-178.7	177.2	0	110.6	D612 V613 V614	K610-D612 VanDerWaalsContact C-N 3.25Å; K610-D612 WeakPolarHBondContact CB-OD1 3.24Å; K610-D612 PolarHBondContact O-N 3.41Å; K610-V613 HydrophobicContact CB-CB 4.46Å; K610-V613 HydrophobicContact CB-CG2 4.11Å; K610-V613 WeakPolarHBondContact O-CB 3.21Å; K610-V613 PolarHBondContact O-N 3.49Å; K610-V613 VanDerWaalsContact O-N 3.11Å; K610-V614 WeakPolarHBondContact O-CG2 3.31Å; K610-V614 PolarHBondContact O-N 3.4Å
611	K	94.4	Very high	95	Very high	183 Å²	183	64.7 Å²	64.7	80%	0.796	31%	0.31	S	S	*	.	H	α-helix	trans	-55	-36.4	-177.4	-72.4	-175	176.7	-178.5	0	114	K615	K611-K615 WeakPolarHBondContact O-CB 3.28Å; K611-K615 PolarHBondContact O-N 2.81Å
612	D	92.9	Very high	95.2	Very high	53 Å²	53	65.8 Å²	65.8	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-74.2	-40.5	178	44.5	7.6	0	0	0	112.6	K610 K615 R616 K786	K610-D612 VanDerWaalsContact C-N 3.25Å; K610-D612 WeakPolarHBondContact CB-OD1 3.24Å; K610-D612 PolarHBondContact O-N 3.41Å; D612-K615 PolarHBondContact O-N 2.92Å; D612-R616 PolarHBondContact O-N 3.33Å; D612-K786 IonicContact OD2-NZ 2.71Å; D612-K786 PolarHBondContact OD2-NZ 3.18Å
613	V	95	Very high	95.5	Very high	44 Å²	44	62.5 Å²	62.5	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-56.4	-50.3	169.5	177.3	0	0	0	0	110.5	K610 K615 R616 Q617 L694	K610-V613 HydrophobicContact CB-CB 4.46Å; K610-V613 HydrophobicContact CB-CG2 4.11Å; K610-V613 WeakPolarHBondContact O-CB 3.21Å; K610-V613 PolarHBondContact O-N 3.49Å; K610-V613 VanDerWaalsContact O-N 3.11Å; V613-K615 VanDerWaalsContact C-N 3.35Å; V613-K615 PolarHBondContact O-N 3.06Å; V613-R616 PolarHBondContact O-N 2.72Å; V613-Q617 HydrophobicContact CG1-CG 4.46Å; V613-Q617 WeakPolarHBondContact O-CG 3.35Å; V613-Q617 PolarHBondContact O-N 3.02Å; V613-L694 HydrophobicContact CG1-CD1 4.12Å; V613-L694 HydrophobicContact CG1-CD2 4.43Å; V613-L694 HydrophobicContact CG1-CG 4.34Å
614	V	96.1	Very high	95.7	Very high	29 Å²	29	58.5 Å²	58.5	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-50.4	175.3	179.9	0	0	0	0	110.4	W597 L606 Q609 K610 R616 Q617 E618	W597-V614 HydrophobicContact CE3-CG1 4.31Å; W597-V614 HydrophobicContact CZ3-CB 4.32Å; W597-V614 HydrophobicContact CZ3-CG1 4.24Å; W597-V614 HydrophobicContact CZ3-CG2 4.14Å; L606-V614 HydrophobicContact CD1-CG1 4.27Å; L606-V614 HydrophobicContact CD1-CG2 4.02Å; Q609-V614 HydrophobicContact CB-CG2 3.67Å; K610-V614 WeakPolarHBondContact O-CG2 3.31Å; K610-V614 PolarHBondContact O-N 3.4Å; V614-R616 VanDerWaalsContact C-N 3.32Å; V614-R616 PolarHBondContact O-N 3.5Å; V614-Q617 PolarHBondContact O-N 3.08Å; V614-E618 HydrophobicContact CG1-CG 4.29Å; V614-E618 WeakPolarHBondContact O-CG 3.43Å; V614-E618 PolarHBondContact O-N 3.42Å
615	K	96.3	Very high	95.8	Very high	77 Å²	77	51.8 Å²	51.8	34%	0.335	24%	0.24	S	C	.	.	H	α-helix	trans	-58.4	-39.8	180	-171.4	-174.1	175.4	-172.5	0	112.6	W544 K611 D612 V613 V619 C784	W544-K615 HydrophobicContact CH2-CD 3.99Å; W544-K615 VanDerWaalsContact CH2-CE 3.5Å; W544-K615 HydrophobicContact CH2-CG 4.46Å; W544-K615 HydrophobicContact CZ2-CD 4.44Å; W544-K615 VanDerWaalsContact CZ2-CE 3.46Å; W544-K615 HydrophobicContact CZ3-CG 4.5Å; K611-K615 WeakPolarHBondContact O-CB 3.28Å; K611-K615 PolarHBondContact O-N 2.81Å; D612-K615 PolarHBondContact O-N 2.92Å; V613-K615 VanDerWaalsContact C-N 3.35Å; V613-K615 PolarHBondContact O-N 3.06Å; K615-V619 WeakPolarHBondContact O-CG2 3.3Å; K615-V619 PolarHBondContact O-N 3.36Å; K615-C784 VanDerWaalsContact CE-SG 3.59Å
616	R	97.4	Very high	95.8	Very high	19 Å²	19	51.3 Å²	51.3	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-45.3	176.3	-174.7	170.8	167.8	-85.6	4.2	111.9	D612 V613 V614 E618 V619 I620 I695 K696 I781 C784 T785 E791	D612-R616 PolarHBondContact O-N 3.33Å; V613-R616 PolarHBondContact O-N 2.72Å; V614-R616 VanDerWaalsContact C-N 3.32Å; V614-R616 PolarHBondContact O-N 3.5Å; R616-E618 VanDerWaalsContact C-N 3.33Å; R616-E618 PolarHBondContact O-N 2.98Å; R616-V619 PolarHBondContact O-N 3.39Å; R616-I620 HydrophobicContact CG-CD1 4Å; R616-I620 WeakPolarHBondContact O-CG1 3.28Å; R616-I620 PolarHBondContact O-N 3.02Å; R616-I620 VanDerWaalsContact O-N 3.09Å; R616-I695 PolarHBondContact NH1-O 3.28Å; R616-K696 PolarHBondContact NH1-O 3.31Å; R616-K696 PolarHBondContact NH2-O 3.34Å; R616-I781 HydrophobicContact CG-CG2 4.44Å; R616-C784 HydrophobicContact CB-CB 3.75Å; R616-C784 WeakPolarHBondContact CD-O 3.44Å; R616-C784 HydrophobicContact CG-CB 4.18Å; R616-T785 VanDerWaalsContact CD-OG1 3.32Å; R616-T785 WeakPolarHBondContact CD-OG1 3.49Å; R616-T785 PolarHBondContact NE-OG1 3.43Å; R616-E791 IonicContact CZ-OE1 2.66Å; R616-E791 IonicContact NH2-OE1 2.65Å; R616-E791 PolarHBondContact NH2-OE1 3.42Å
617	Q	97.3	Very high	96	Very high	2 Å²	2	49 Å²	49	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-37	179.1	-61.8	-59.3	-44.2	0	0	112	W597 V613 V614 V619 I620 Y621 I695	W597-Q617 HydrophobicContact CD2-CB 3.35Å; W597-Q617 HydrophobicContact CD2-CG 4.14Å; W597-Q617 VanDerWaalsContact CE2-CB 3.47Å; W597-Q617 HydrophobicContact CE3-CB 3.65Å; W597-Q617 HydrophobicContact CE3-CG 4.35Å; W597-Q617 HydrophobicContact CG-CB 3.75Å; W597-Q617 HydrophobicContact CH2-CB 4.06Å; W597-Q617 HydrophobicContact CH2-CG 3.84Å; W597-Q617 HydrophobicContact CZ2-CB 3.84Å; W597-Q617 HydrophobicContact CZ2-CG 3.63Å; W597-Q617 HydrophobicContact CZ3-CB 3.99Å; W597-Q617 HydrophobicContact CZ3-CG 4.22Å; V613-Q617 HydrophobicContact CG1-CG 4.46Å; V613-Q617 WeakPolarHBondContact O-CG 3.35Å; V613-Q617 PolarHBondContact O-N 3.02Å; V614-Q617 PolarHBondContact O-N 3.08Å; Q617-V619 VanDerWaalsContact C-N 3.33Å; Q617-V619 PolarHBondContact O-N 3.33Å; Q617-I620 PolarHBondContact O-N 2.87Å; Q617-Y621 VanDerWaalsContact O-CB 3.31Å; Q617-Y621 WeakPolarHBondContact O-CB 3.18Å; Q617-Y621 PolarHBondContact O-N 3.16Å; Q617-I695 PolarHBondContact NE2-O 2.88Å
618	E	96.9	Very high	96	Very high	47 Å²	47	40.8 Å²	40.8	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-39.1	174.2	-70.3	-69.6	179.9	0	0	112.8	S596 W597 S598 V614 R616 Y621 E622	S596-E618 WeakPolarHBondContact CA-OE2 3.48Å; S596-E618 WeakPolarHBondContact CB-OE2 3.47Å; W597-E618 HydrophobicContact CB-CG 4.32Å; W597-E618 PolarHBondContact N-OE1 2.71Å; W597-E618 PolarHBondContact N-OE2 3.36Å; S598-E618 WeakPolarHBondContact CB-OE1 3.49Å; S598-E618 PolarHBondContact N-OE1 3Å; S598-E618 PolarHBondContact OG-OE1 3.39Å; V614-E618 HydrophobicContact CG1-CG 4.29Å; V614-E618 WeakPolarHBondContact O-CG 3.43Å; V614-E618 PolarHBondContact O-N 3.42Å; R616-E618 VanDerWaalsContact C-N 3.33Å; R616-E618 PolarHBondContact O-N 2.98Å; E618-Y621 PolarHBondContact O-N 3.4Å; E618-E622 WeakPolarHBondContact O-CB 3.29Å; E618-E622 PolarHBondContact O-N 2.94Å
619	V	97.8	Very high	95.8	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-75.8	-34.9	177.8	-176.3	0	0	0	0	112	K615 R616 Q617 Y621 E622 L623 L777 R780 I781	K615-V619 WeakPolarHBondContact O-CG2 3.3Å; K615-V619 PolarHBondContact O-N 3.36Å; R616-V619 PolarHBondContact O-N 3.39Å; Q617-V619 VanDerWaalsContact C-N 3.33Å; Q617-V619 PolarHBondContact O-N 3.33Å; V619-Y621 VanDerWaalsContact C-N 3.27Å; V619-Y621 PolarHBondContact O-N 2.67Å; V619-E622 WeakPolarHBondContact O-CB 3.48Å; V619-E622 PolarHBondContact O-N 2.87Å; V619-L623 PolarHBondContact O-N 3.39Å; V619-L777 HydrophobicContact CG1-CD2 4.48Å; V619-R780 HydrophobicContact CG1-CB 3.68Å; V619-R780 HydrophobicContact CG2-CB 4.25Å; V619-I781 HydrophobicContact CB-CG1 4.15Å; V619-I781 HydrophobicContact CG1-CD1 4.42Å; V619-I781 HydrophobicContact CG1-CG1 3.56Å
620	I	98.1	Very high	95.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-36.8	172.2	-64.8	171	0	0	0	110.1	R616 Q617 L623 M624 I695 I698 I781	R616-I620 HydrophobicContact CG-CD1 4Å; R616-I620 WeakPolarHBondContact O-CG1 3.28Å; R616-I620 PolarHBondContact O-N 3.02Å; R616-I620 VanDerWaalsContact O-N 3.09Å; Q617-I620 PolarHBondContact O-N 2.87Å; I620-L623 PolarHBondContact O-N 3.28Å; I620-M624 PolarHBondContact O-N 2.68Å; I620-I695 HydrophobicContact CD1-CG2 4.34Å; I620-I695 HydrophobicContact CG2-CB 4.46Å; I620-I695 HydrophobicContact CG2-CD1 3.71Å; I620-I695 HydrophobicContact CG2-CG2 4.43Å; I620-I698 HydrophobicContact CD1-CG2 3.98Å; I620-I698 HydrophobicContact CG1-CG2 4.26Å; I620-I781 HydrophobicContact CD1-CG2 4.24Å; I620-I781 HydrophobicContact CG1-CD1 4.05Å; I620-I781 HydrophobicContact CG1-CG1 4.11Å; I620-I781 HydrophobicContact CG1-CG2 4Å
621	Y	96.9	Very high	96	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-40.3	173.3	-165.2	-95.7	0	0	0	112.4	L592 A594 W597 I600 Q617 E618 V619 L623 M624 Q625 F693	L592-Y621 HydrophobicContact CD2-CE2 3.97Å; L592-Y621 PolarHBondContact O-OH 2.9Å; A594-Y621 WeakPolarHBondContact O-CE1 3.33Å; A594-Y621 PolarHBondContact O-OH 2.87Å; W597-Y621 HydrophobicContact CB-CD2 4.39Å; W597-Y621 HydrophobicContact CB-CG 4.05Å; I600-Y621 HydrophobicContact CD1-CE2 4.22Å; I600-Y621 HydrophobicContact CG2-CD2 4.48Å; I600-Y621 HydrophobicContact CG2-CE2 3.89Å; Q617-Y621 VanDerWaalsContact O-CB 3.31Å; Q617-Y621 WeakPolarHBondContact O-CB 3.18Å; Q617-Y621 PolarHBondContact O-N 3.16Å; E618-Y621 PolarHBondContact O-N 3.4Å; V619-Y621 VanDerWaalsContact C-N 3.27Å; V619-Y621 PolarHBondContact O-N 2.67Å; Y621-L623 VanDerWaalsContact C-N 3.3Å; Y621-L623 PolarHBondContact O-N 3.46Å; Y621-M624 HydrophobicContact CD2-CE 3.37Å; Y621-M624 HydrophobicContact CE2-CE 3.69Å; Y621-M624 HydrophobicContact CG-CE 4.32Å; Y621-M624 PolarHBondContact O-N 2.95Å; Y621-Q625 HydrophobicContact CE1-CB 4.42Å; Y621-Q625 VanDerWaalsContact O-CB 3.27Å; Y621-Q625 WeakPolarHBondContact O-CB 3.5Å; Y621-Q625 PolarHBondContact O-N 2.98Å; Y621-F693 HydrophobicContact CD2-CE2 4.45Å; Y621-F693 AromaticContact CD2-CZ 3.92Å; Y621-F693 HydrophobicContact CD2-CZ 3.92Å; Y621-F693 HydrophobicContact CE2-CZ 4.1Å
622	E	96.8	Very high	95.9	Very high	33 Å²	33	20.2 Å²	20.2	15%	0.154	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-44	170.6	-173.1	-174.2	-174.2	0	0	110.8	E618 V619 T626 L777 R780	E618-E622 WeakPolarHBondContact O-CB 3.29Å; E618-E622 PolarHBondContact O-N 2.94Å; V619-E622 WeakPolarHBondContact O-CB 3.48Å; V619-E622 PolarHBondContact O-N 2.87Å; E622-T626 VanDerWaalsContact O-CB 3.27Å; E622-T626 WeakPolarHBondContact O-CB 3.15Å; E622-T626 VanDerWaalsContact O-CG2 3.22Å; E622-T626 WeakPolarHBondContact O-CG2 3.19Å; E622-T626 PolarHBondContact O-N 3.26Å; E622-T626 PolarHBondContact O-OG1 3.44Å; E622-L777 HydrophobicContact CB-CD2 4.32Å; E622-L777 HydrophobicContact CG-CD2 3.81Å; E622-R780 IonicContact OE1-CZ 2.93Å; E622-R780 IonicContact OE1-NH1 2.66Å; E622-R780 PolarHBondContact OE1-NH1 2.87Å; E622-R780 IonicContact OE2-CZ 2.63Å; E622-R780 IonicContact OE2-NH1 3.18Å; E622-R780 PolarHBondContact OE2-NH1 3.24Å
623	L	97.9	Very high	96	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-53.9	174.9	173.4	63.4	0	0	0	111.9	V619 I620 Y621 T626 E627 L702 R770 Y774 L777 F778 I781	V619-L623 PolarHBondContact O-N 3.39Å; I620-L623 PolarHBondContact O-N 3.28Å; Y621-L623 VanDerWaalsContact C-N 3.3Å; Y621-L623 PolarHBondContact O-N 3.46Å; L623-T626 PolarHBondContact O-N 2.89Å; L623-T626 PolarHBondContact O-OG1 2.9Å; L623-E627 WeakPolarHBondContact O-CB 3.45Å; L623-E627 PolarHBondContact O-N 2.92Å; L623-L702 HydrophobicContact CD2-CD2 3.94Å; L623-R770 PolarHBondContact O-NH2 2.79Å; L623-Y774 HydrophobicContact CD1-CD1 4.07Å; L623-Y774 HydrophobicContact CD1-CE1 4.21Å; L623-L777 HydrophobicContact CB-CD1 4.35Å; L623-L777 HydrophobicContact CD1-CD1 3.81Å; L623-F778 HydrophobicContact CD1-CE1 3.98Å; L623-F778 HydrophobicContact CD2-CD1 4.41Å; L623-F778 HydrophobicContact CD2-CE1 3.91Å; L623-I781 HydrophobicContact CD2-CD1 4.05Å
624	M	96.3	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.2	-49.3	-178.4	179.4	171.9	52.7	0	0	112.3	L592 I620 Y621 E627 F628 F674 I677 L678 K681 F693	L592-M624 HydrophobicContact CD1-CG 4.33Å; L592-M624 HydrophobicContact CD2-CE 3.68Å; L592-M624 HydrophobicContact CD2-CG 4.11Å; L592-M624 HydrophobicContact CD2-SD 3.97Å; I620-M624 PolarHBondContact O-N 2.68Å; Y621-M624 HydrophobicContact CD2-CE 3.37Å; Y621-M624 HydrophobicContact CE2-CE 3.69Å; Y621-M624 HydrophobicContact CG-CE 4.32Å; Y621-M624 PolarHBondContact O-N 2.95Å; M624-E627 PolarHBondContact O-N 3.25Å; M624-F628 PolarHBondContact O-N 3.16Å; M624-F674 HydrophobicContact CG-CE2 4.11Å; M624-I677 HydrophobicContact CB-CG2 3.73Å; M624-I677 HydrophobicContact CG-CG2 3.68Å; M624-I677 HydrophobicContact SD-CG2 3.93Å; M624-L678 HydrophobicContact SD-CD2 4.04Å; M624-K681 HydrophobicContact CE-CD 4.19Å; M624-K681 HydrophobicContact SD-CB 4.36Å; M624-K681 HydrophobicContact SD-CD 3.88Å; M624-K681 HydrophobicContact SD-CG 4.47Å; M624-F693 HydrophobicContact CE-CE2 4.32Å; M624-F693 HydrophobicContact CE-CZ 4.25Å
625	Q	94.3	Very high	96	Very high	20 Å²	20	16.7 Å²	16.7	9%	0.093	8%	0.076	C	C	.	.	H	α-helix	trans	-69.9	-37.5	-177.6	-164.7	-169.9	56.8	0	0	111.6	L592 A594 Y621 E627 F628 H629	L592-Q625 PolarHBondContact O-NE2 3.33Å; A594-Q625 PolarHBondContact O-NE2 2.55Å; Y621-Q625 HydrophobicContact CE1-CB 4.42Å; Y621-Q625 VanDerWaalsContact O-CB 3.27Å; Y621-Q625 WeakPolarHBondContact O-CB 3.5Å; Y621-Q625 PolarHBondContact O-N 2.98Å; Q625-E627 VanDerWaalsContact C-N 3.31Å; Q625-E627 PolarHBondContact O-N 3.04Å; Q625-F628 WeakPolarHBondContact O-CB 3.39Å; Q625-F628 PolarHBondContact O-N 3.27Å; Q625-H629 VanDerWaalsContact O-CG 3.22Å; Q625-H629 PolarHBondContact O-N 3.39Å; Q625-H629 PolarHBondContact O-ND1 3.23Å; Q625-H629 VanDerWaalsContact O-ND1 3.11Å
626	T	95.7	Very high	95.9	Very high	10 Å²	10	13.1 Å²	13.1	6%	0.061	6%	0.061	C	C	.	.	H	α-helix	trans	-74.5	-19.9	174.8	60.9	0	0	0	0	113.5	E622 L623 H630 R770	E622-T626 VanDerWaalsContact O-CB 3.27Å; E622-T626 WeakPolarHBondContact O-CB 3.15Å; E622-T626 VanDerWaalsContact O-CG2 3.22Å; E622-T626 WeakPolarHBondContact O-CG2 3.19Å; E622-T626 PolarHBondContact O-N 3.26Å; E622-T626 PolarHBondContact O-OG1 3.44Å; L623-T626 PolarHBondContact O-N 2.89Å; L623-T626 PolarHBondContact O-OG1 2.9Å; T626-H630 WeakPolarHBondContact O-CB 3.39Å; T626-H630 PolarHBondContact O-N 3.17Å; T626-R770 PolarHBondContact OG1-NH1 3.31Å; T626-R770 PolarHBondContact OG1-NH2 3.08Å
627	E	97.3	Very high	95.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-74	-45.4	168.6	-164	65	-155.8	0	0	110.8	L623 M624 Q625 H629 H630 V631 H670 F673 F674 R770 Y774	L623-E627 WeakPolarHBondContact O-CB 3.45Å; L623-E627 PolarHBondContact O-N 2.92Å; M624-E627 PolarHBondContact O-N 3.25Å; Q625-E627 VanDerWaalsContact C-N 3.31Å; Q625-E627 PolarHBondContact O-N 3.04Å; E627-H629 VanDerWaalsContact C-N 3.31Å; E627-H629 PolarHBondContact O-N 3.21Å; E627-H630 WeakPolarHBondContact O-CB 3.3Å; E627-H630 PolarHBondContact O-N 3.2Å; E627-H630 IonicContact OE1-CD2 3.21Å; E627-V631 WeakPolarHBondContact O-CG2 3.36Å; E627-V631 PolarHBondContact O-N 3.38Å; E627-H670 IonicContact OE1-CE1 2.75Å; E627-H670 IonicContact OE1-CG 3.6Å; E627-H670 IonicContact OE1-ND1 2.74Å; E627-H670 PolarHBondContact OE1-ND1 3.44Å; E627-F673 HydrophobicContact CG-CD1 4.01Å; E627-F673 HydrophobicContact CG-CE1 4.46Å; E627-F674 HydrophobicContact CB-CD2 4.25Å; E627-F674 HydrophobicContact CG-CB 4.02Å; E627-F674 HydrophobicContact CG-CD2 4.39Å; E627-R770 VanDerWaalsContact N-NH2 3.17Å; E627-R770 IonicContact OE2-CZ 2.63Å; E627-R770 IonicContact OE2-NE 3.89Å; E627-R770 PolarHBondContact OE2-NE 2.89Å; E627-R770 IonicContact OE2-NH2 2.94Å; E627-R770 PolarHBondContact OE2-NH2 2.87Å; E627-Y774 VanDerWaalsContact CD-OH 3.31Å; E627-Y774 PolarHBondContact OE1-OH 2.86Å; E627-Y774 VanDerWaalsContact OE2-CE1 3.28Å; E627-Y774 WeakPolarHBondContact OE2-CE1 3.5Å; E627-Y774 PolarHBondContact OE2-OH 3.31Å
628	F	94.3	Very high	95.8	Very high	5 Å²	5	13.4 Å²	13.4	2%	0.022	7%	0.066	C	C	.	.	H	α-helix	trans	-52	-48.1	170.5	168.9	-121.6	0	0	0	112.1	E588 L592 M624 Q625 H630 V631 R632 F674	E588-F628 HydrophobicContact CB-CD2 4.34Å; E588-F628 HydrophobicContact CB-CE2 3.48Å; E588-F628 VanDerWaalsContact CB-CE2 3.48Å; E588-F628 HydrophobicContact CB-CZ 3.99Å; E588-F628 HydrophobicContact CG-CE2 4.48Å; L592-F628 HydrophobicContact CB-CD1 4.41Å; L592-F628 HydrophobicContact CD1-CB 3.62Å; L592-F628 HydrophobicContact CD1-CD1 4.09Å; L592-F628 HydrophobicContact CD1-CG 3.86Å; M624-F628 PolarHBondContact O-N 3.16Å; Q625-F628 WeakPolarHBondContact O-CB 3.39Å; Q625-F628 PolarHBondContact O-N 3.27Å; F628-H630 VanDerWaalsContact C-N 3.27Å; F628-H630 PolarHBondContact O-N 3.43Å; F628-V631 PolarHBondContact O-N 3.49Å; F628-R632 WeakPolarHBondContact O-CB 3.48Å; F628-R632 PolarHBondContact O-N 3.25Å; F628-F674 HydrophobicContact CB-CD2 4.43Å; F628-F674 HydrophobicContact CB-CE1 4.34Å; F628-F674 HydrophobicContact CB-CE2 3.7Å; F628-F674 HydrophobicContact CB-CZ 3.65Å; F628-F674 HydrophobicContact CD2-CE1 4.15Å; F628-F674 HydrophobicContact CD2-CZ 4.07Å; F628-F674 HydrophobicContact CG-CZ 4.18Å
629	H	91.7	Very high	95.6	Very high	23 Å²	23	11.9 Å²	11.9	11%	0.106	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-31.5	177.9	-65	147.2	0	0	0	113.7	N555 Q625 E627 T633	N555-H629 PolarHBondContact ND2-CE1 2.95Å; N555-H629 PolarHBondContact ND2-NE2 3.34Å; Q625-H629 VanDerWaalsContact O-CG 3.22Å; Q625-H629 PolarHBondContact O-N 3.39Å; Q625-H629 PolarHBondContact O-ND1 3.23Å; Q625-H629 VanDerWaalsContact O-ND1 3.11Å; E627-H629 VanDerWaalsContact C-N 3.31Å; E627-H629 PolarHBondContact O-N 3.21Å; H629-T633 PolarHBondContact O-N 3.17Å; H629-T633 PolarHBondContact O-OG1 3.29Å
630	H	96.4	Very high	95.3	Very high	10 Å²	10	11.3 Å²	11.3	5%	0.046	6%	0.059	C	C	.	.	H	α-helix	trans	-74	-46.7	175.6	176.7	67	0	0	0	111.4	T626 E627 F628 R632 T633 L634 H670 R770	T626-H630 WeakPolarHBondContact O-CB 3.39Å; T626-H630 PolarHBondContact O-N 3.17Å; E627-H630 WeakPolarHBondContact O-CB 3.3Å; E627-H630 PolarHBondContact O-N 3.2Å; E627-H630 IonicContact OE1-CD2 3.21Å; F628-H630 VanDerWaalsContact C-N 3.27Å; F628-H630 PolarHBondContact O-N 3.43Å; H630-R632 VanDerWaalsContact C-N 3.32Å; H630-R632 PolarHBondContact O-N 3.49Å; H630-T633 WeakPolarHBondContact O-CB 3.32Å; H630-T633 PolarHBondContact O-N 3.06Å; H630-L634 WeakPolarHBondContact O-CG 3.4Å; H630-L634 PolarHBondContact O-N 3.06Å; H630-H670 AromaticContact CD2-CD2 3.78Å; H630-H670 AromaticContact CD2-CE1 3.64Å; H630-H670 AromaticContact CD2-CG 3.42Å; H630-H670 VanDerWaalsContact CD2-CG 3.42Å; H630-H670 AromaticContact CD2-ND1 3.33Å; H630-H670 PolarHBondContact CD2-ND1 3.01Å; H630-H670 VanDerWaalsContact CD2-ND1 3.33Å; H630-H670 AromaticContact CD2-NE2 3.88Å; H630-H670 AromaticContact NE2-CD2 3.18Å; H630-H670 PolarHBondContact NE2-CD2 2.91Å; H630-H670 AromaticContact NE2-CE1 3.21Å; H630-H670 PolarHBondContact NE2-CE1 3.32Å; H630-H670 AromaticContact NE2-CG 3.34Å; H630-H670 VanDerWaalsContact NE2-CG 3.34Å; H630-H670 AromaticContact NE2-ND1 3.36Å; H630-H670 PolarHBondContact NE2-ND1 3.14Å; H630-H670 AromaticContact NE2-NE2 3.07Å; H630-H670 PolarHBondContact NE2-NE2 2.97Å; H630-R770 HydrophobicContact CB-CG 4.31Å
631	V	96.1	Very high	95.2	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-56.6	-44.3	171.6	173.1	0	0	0	0	111	E627 F628 T633 L634 K635 H670 F674	E627-V631 WeakPolarHBondContact O-CG2 3.36Å; E627-V631 PolarHBondContact O-N 3.38Å; F628-V631 PolarHBondContact O-N 3.49Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 2.83Å; V631-L634 PolarHBondContact O-N 3.15Å; V631-K635 HydrophobicContact CG1-CD 4.18Å; V631-K635 HydrophobicContact CG1-CG 4.4Å; V631-K635 WeakPolarHBondContact O-CB 3.33Å; V631-K635 WeakPolarHBondContact O-CG 3.26Å; V631-K635 PolarHBondContact O-N 3.11Å; V631-H670 HydrophobicContact CG2-CB 3.82Å; V631-H670 WeakPolarHBondContact CG2-O 3.34Å; V631-F674 HydrophobicContact CG2-CB 4.18Å
632	R	92.6	Very high	95.2	Very high	30 Å²	30	11.4 Å²	11.4	11%	0.113	6%	0.061	C	C	.	.	H	α-helix	trans	-60.8	-40	174	175.2	159.7	-173.6	175.7	3.7	112.4	F585 F628 H630 I636	F585-R632 HydrophobicContact CD1-CB 4.25Å; F585-R632 HydrophobicContact CD1-CG 3.77Å; F585-R632 HydrophobicContact CD2-CG 4.34Å; F585-R632 HydrophobicContact CE1-CB 3.95Å; F585-R632 HydrophobicContact CE1-CG 3.57Å; F585-R632 HydrophobicContact CE2-CG 4.16Å; F585-R632 HydrophobicContact CG-CG 4.17Å; F585-R632 HydrophobicContact CZ-CG 3.79Å; F628-R632 WeakPolarHBondContact O-CB 3.48Å; F628-R632 PolarHBondContact O-N 3.25Å; H630-R632 VanDerWaalsContact C-N 3.32Å; H630-R632 PolarHBondContact O-N 3.49Å; R632-I636 HydrophobicContact CG-CD1 3.91Å; R632-I636 WeakPolarHBondContact O-CB 3.4Å; R632-I636 WeakPolarHBondContact O-CD1 3.49Å; R632-I636 VanDerWaalsContact O-CG1 3.24Å; R632-I636 WeakPolarHBondContact O-CG1 3.44Å; R632-I636 PolarHBondContact O-N 3.08Å
633	T	94.9	Very high	95.1	Very high	9 Å²	9	13.9 Å²	13.9	6%	0.055	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-42.4	176.3	-60.1	0	0	0	0	111.6	H629 H630 V631 I636 M637 C763 L766	H629-T633 PolarHBondContact O-N 3.17Å; H629-T633 PolarHBondContact O-OG1 3.29Å; H630-T633 WeakPolarHBondContact O-CB 3.32Å; H630-T633 PolarHBondContact O-N 3.06Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 2.83Å; T633-I636 PolarHBondContact O-N 2.7Å; T633-M637 HydrophobicContact CG2-SD 4.33Å; T633-M637 WeakPolarHBondContact O-CG 3.19Å; T633-M637 PolarHBondContact O-N 2.8Å; T633-C763 HydrophobicContact CG2-CB 4.23Å; T633-L766 HydrophobicContact CG2-CB 4.49Å; T633-L766 HydrophobicContact CG2-CD1 4.34Å
634	L	96.9	Very high	94.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-44.9	175	-68	169	0	0	0	112.2	H630 V631 I636 M637 S638 L663 L666 I667 H670 V767	H630-L634 WeakPolarHBondContact O-CG 3.4Å; H630-L634 PolarHBondContact O-N 3.06Å; V631-L634 PolarHBondContact O-N 3.15Å; L634-I636 VanDerWaalsContact C-N 3.32Å; L634-I636 PolarHBondContact O-N 2.55Å; L634-M637 HydrophobicContact CD2-SD 4.33Å; L634-M637 WeakPolarHBondContact O-CB 3.49Å; L634-M637 PolarHBondContact O-N 3.2Å; L634-M637 VanDerWaalsContact O-N 3.14Å; L634-S638 PolarHBondContact O-N 2.96Å; L634-L663 HydrophobicContact CD2-CD1 3.88Å; L634-L666 HydrophobicContact CD1-CB 4.09Å; L634-L666 HydrophobicContact CD2-CB 3.88Å; L634-L666 HydrophobicContact CD2-CD1 4.14Å; L634-I667 HydrophobicContact CB-CG1 3.67Å; L634-H670 HydrophobicContact CD1-CB 3.96Å; L634-V767 HydrophobicContact CD2-CG1 4.32Å; L634-V767 HydrophobicContact CD2-CG2 3.55Å; L634-V767 HydrophobicContact CG-CG2 4.33Å
635	K	94.9	Very high	94.9	Very high	44 Å²	44	14.1 Å²	14.1	19%	0.191	8%	0.075	C	C	.	.	H	α-helix	trans	-58	-41.1	173.6	-77	178	173	-172.5	0	111.7	F585 E588 V631 S638 G639	F585-K635 HydrophobicContact CD1-CD 4.47Å; F585-K635 HydrophobicContact CE1-CB 3.7Å; F585-K635 HydrophobicContact CE1-CD 3.61Å; F585-K635 HydrophobicContact CE1-CG 4.32Å; F585-K635 HydrophobicContact CZ-CB 3.65Å; F585-K635 HydrophobicContact CZ-CD 4.39Å; E588-K635 IonicContact OE1-NZ 2.86Å; E588-K635 PolarHBondContact OE1-NZ 3.09Å; E588-K635 IonicContact OE2-NZ 2.63Å; E588-K635 PolarHBondContact OE2-NZ 3.33Å; V631-K635 HydrophobicContact CG1-CD 4.18Å; V631-K635 HydrophobicContact CG1-CG 4.4Å; V631-K635 WeakPolarHBondContact O-CB 3.33Å; V631-K635 WeakPolarHBondContact O-CG 3.26Å; V631-K635 PolarHBondContact O-N 3.11Å; K635-S638 PolarHBondContact O-N 3.47Å; K635-G639 PolarHBondContact O-N 3.38Å
636	I	93.3	Very high	95	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-43.9	173.4	-71.8	162.4	0	0	0	111.6	F585 R632 T633 L634 S638 V640 Y641 V754 V755	F585-I636 HydrophobicContact CE2-CD1 4.2Å; F585-I636 HydrophobicContact CE2-CG1 3.64Å; F585-I636 HydrophobicContact CZ-CD1 4.42Å; F585-I636 HydrophobicContact CZ-CG1 3.75Å; R632-I636 HydrophobicContact CG-CD1 3.91Å; R632-I636 WeakPolarHBondContact O-CB 3.4Å; R632-I636 WeakPolarHBondContact O-CD1 3.49Å; R632-I636 VanDerWaalsContact O-CG1 3.24Å; R632-I636 WeakPolarHBondContact O-CG1 3.44Å; R632-I636 PolarHBondContact O-N 3.08Å; T633-I636 PolarHBondContact O-N 2.7Å; L634-I636 VanDerWaalsContact C-N 3.32Å; L634-I636 PolarHBondContact O-N 2.55Å; I636-S638 PolarHBondContact O-N 3.35Å; I636-V640 HydrophobicContact CG2-CB 4.38Å; I636-V640 HydrophobicContact CG2-CG2 4.24Å; I636-V640 VanDerWaalsContact O-CB 3.31Å; I636-V640 WeakPolarHBondContact O-CB 3.42Å; I636-V640 PolarHBondContact O-N 3.39Å; I636-V640 VanDerWaalsContact O-N 3.13Å; I636-Y641 HydrophobicContact CG2-CD2 4.29Å; I636-Y641 HydrophobicContact CG2-CE2 4.17Å; I636-Y641 PolarHBondContact O-N 2.91Å; I636-V754 WeakPolarHBondContact CD1-O 3.22Å; I636-V755 HydrophobicContact CG2-CB 4.34Å; I636-V755 HydrophobicContact CG2-CG1 3.95Å
637	M	96.2	Very high	95	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-58.5	-33.2	176.2	-70.5	165	70.9	0	0	111.9	T633 L634 S642 F660 L663 F721 C763 I764 V767	T633-M637 HydrophobicContact CG2-SD 4.33Å; T633-M637 WeakPolarHBondContact O-CG 3.19Å; T633-M637 PolarHBondContact O-N 2.8Å; L634-M637 HydrophobicContact CD2-SD 4.33Å; L634-M637 WeakPolarHBondContact O-CB 3.49Å; L634-M637 PolarHBondContact O-N 3.2Å; L634-M637 VanDerWaalsContact O-N 3.14Å; M637-S642 WeakPolarHBondContact O-CB 3.33Å; M637-S642 PolarHBondContact O-N 2.91Å; M637-F660 HydrophobicContact CE-CD1 3.37Å; M637-F660 HydrophobicContact CE-CE1 3.74Å; M637-F660 HydrophobicContact CE-CG 4.14Å; M637-F660 HydrophobicContact CG-CE1 4.36Å; M637-L663 HydrophobicContact CB-CD1 3.86Å; M637-L663 HydrophobicContact CB-CD2 3.89Å; M637-L663 HydrophobicContact CE-CD1 4.14Å; M637-L663 HydrophobicContact SD-CD1 4.45Å; M637-F721 HydrophobicContact CE-CE2 4.24Å; M637-F721 HydrophobicContact CE-CZ 4.15Å; M637-C763 HydrophobicContact CG-CB 3.74Å; M637-C763 HydrophobicContact SD-CB 3.79Å; M637-I764 HydrophobicContact CE-CG1 4.42Å; M637-V767 HydrophobicContact CE-CG2 4.16Å; M637-V767 HydrophobicContact SD-CG2 3.66Å
638	S	95.8	Very high	94.8	Very high	27 Å²	27	22.7 Å²	22.7	19%	0.189	13%	0.128	C	C	.	.	I	π-helix	trans	-84.9	-67.1	178.6	-165.1	0	0	0	0	112.2	L634 K635 I636 V640 S642 Q643	L634-S638 PolarHBondContact O-N 2.96Å; K635-S638 PolarHBondContact O-N 3.47Å; I636-S638 PolarHBondContact O-N 3.35Å; S638-V640 VanDerWaalsContact C-N 3.3Å; S638-V640 PolarHBondContact O-N 3.26Å; S638-S642 VanDerWaalsContact O-CB 3.27Å; S638-S642 WeakPolarHBondContact O-CB 3.47Å; S638-S642 PolarHBondContact O-N 3.24Å; S638-Q643 PolarHBondContact O-N 3.28Å
639	G	92.9	Very high	94.9	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	13%	0.131	C	C	.	.	I	π-helix	trans	-67.7	-20.6	-172.1	0	0	0	0	0	115.7	K635 Q643	K635-G639 PolarHBondContact O-N 3.38Å; G639-Q643 PolarHBondContact O-OE1 3.15Å
640	V	92.6	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-106.8	-52.1	-179.8	-170.5	0	0	0	0	111.6	E578 L581 I636 S638 G644 K749 V754 V755	E578-V640 HydrophobicContact CG-CG1 4.49Å; E578-V640 HydrophobicContact CG-CG2 4.39Å; L581-V640 HydrophobicContact CD2-CG2 3.63Å; I636-V640 HydrophobicContact CG2-CB 4.38Å; I636-V640 HydrophobicContact CG2-CG2 4.24Å; I636-V640 VanDerWaalsContact O-CB 3.31Å; I636-V640 WeakPolarHBondContact O-CB 3.42Å; I636-V640 PolarHBondContact O-N 3.39Å; I636-V640 VanDerWaalsContact O-N 3.13Å; S638-V640 VanDerWaalsContact C-N 3.3Å; S638-V640 PolarHBondContact O-N 3.26Å; V640-G644 PolarHBondContact O-N 2.63Å; V640-K749 HydrophobicContact CG1-CB 4.43Å; V640-K749 HydrophobicContact CG1-CD 4.04Å; V640-K749 HydrophobicContact CG1-CG 4.46Å; V640-V754 HydrophobicContact CG1-CG1 4.29Å; V640-V754 HydrophobicContact CG2-CG1 3.74Å; V640-V755 HydrophobicContact CB-CG1 4.43Å; V640-V755 HydrophobicContact CG1-CG1 3.79Å
641	Y	95.3	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-87.2	-51.8	-174.5	-70.1	-55.7	0	0	0	113.3	I636 M645 F660 F745 K749 M750 V755 L758 I760	I636-Y641 HydrophobicContact CG2-CD2 4.29Å; I636-Y641 HydrophobicContact CG2-CE2 4.17Å; I636-Y641 PolarHBondContact O-N 2.91Å; Y641-M645 WeakPolarHBondContact O-CG 3.13Å; Y641-M645 PolarHBondContact O-N 2.7Å; Y641-F660 HydrophobicContact CG-CZ 4.47Å; Y641-F745 HydrophobicContact CD1-CE1 4.47Å; Y641-K749 HydrophobicContact CD1-CB 4.39Å; Y641-K749 HydrophobicContact CE1-CB 3.82Å; Y641-M750 PolarHBondContact OH-SD 3.46Å; Y641-M750 VanDerWaalsContact OH-SD 3.35Å; Y641-V755 HydrophobicContact CE2-CG1 4.18Å; Y641-L758 PolarHBondContact OH-O 2.71Å; Y641-I760 HydrophobicContact CD1-CD1 3.81Å; Y641-I760 HydrophobicContact CD1-CG1 3.78Å; Y641-I760 HydrophobicContact CD2-CG1 4.09Å; Y641-I760 HydrophobicContact CE1-CD1 4.19Å; Y641-I760 HydrophobicContact CE1-CG1 3.93Å; Y641-I760 HydrophobicContact CE2-CG1 4.22Å; Y641-I760 HydrophobicContact CG-CD1 4.2Å; Y641-I760 HydrophobicContact CG-CG1 3.88Å
642	S	96.4	Very high	95.1	Very high	8 Å²	8	35.2 Å²	35.2	6%	0.056	19%	0.191	C	C	.	.	I	π-helix	trans	-62	-60.4	177.9	178.9	0	0	0	0	111.1	M637 S638 G644 M645 M646 V656	M637-S642 WeakPolarHBondContact O-CB 3.33Å; M637-S642 PolarHBondContact O-N 2.91Å; S638-S642 VanDerWaalsContact O-CB 3.27Å; S638-S642 WeakPolarHBondContact O-CB 3.47Å; S638-S642 PolarHBondContact O-N 3.24Å; S642-G644 VanDerWaalsContact C-N 3.3Å; S642-G644 PolarHBondContact O-N 3.01Å; S642-M645 PolarHBondContact O-N 3.12Å; S642-M646 WeakPolarHBondContact O-CG 3.38Å; S642-M646 PolarHBondContact O-N 3.15Å; S642-V656 WeakPolarHBondContact OG-CG1 3.26Å
643	Q	94.5	Very high	95.2	Very high	85 Å²	85	37.8 Å²	37.8	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-40.8	-178.4	-172.9	175.3	0.1	0	0	111.8	N577 S638 G639 M646 A647	N577-Q643 PolarHBondContact ND2-NE2 2.81Å; S638-Q643 PolarHBondContact O-N 3.28Å; G639-Q643 PolarHBondContact O-OE1 3.15Å; Q643-M646 PolarHBondContact O-N 3.38Å; Q643-A647 WeakPolarHBondContact O-CB 3.48Å; Q643-A647 PolarHBondContact O-N 3.35Å
644	G	94.1	Very high	95.2	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-36.3	175.2	0	0	0	0	0	113.9	V640 S642 D648 F745	V640-G644 PolarHBondContact O-N 2.63Å; S642-G644 VanDerWaalsContact C-N 3.3Å; S642-G644 PolarHBondContact O-N 3.01Å; G644-D648 WeakPolarHBondContact O-CA 3.47Å; G644-D648 WeakPolarHBondContact O-CB 3.42Å; G644-D648 PolarHBondContact O-N 2.93Å; G644-F745 VanDerWaalsContact C-CZ 3.41Å; G644-F745 WeakPolarHBondContact O-CE2 3.48Å
645	M	96.7	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-37.3	173.5	-71.9	172.8	-146.6	0	0	112	Y641 S642 L649 L650 F651 V656 L659 F660 F742 F745 I760	Y641-M645 WeakPolarHBondContact O-CG 3.13Å; Y641-M645 PolarHBondContact O-N 2.7Å; S642-M645 PolarHBondContact O-N 3.12Å; M645-L649 HydrophobicContact CG-CD1 4.29Å; M645-L649 CarbonylContact O-C 3.49Å; M645-L649 WeakPolarHBondContact O-CA 3.32Å; M645-L649 WeakPolarHBondContact O-CB 3.13Å; M645-L649 PolarHBondContact O-N 3.06Å; M645-L650 PolarHBondContact O-N 3.07Å; M645-F651 HydrophobicContact CB-CB 4.08Å; M645-F651 HydrophobicContact CB-CD2 3.93Å; M645-F651 HydrophobicContact CB-CG 4.08Å; M645-F651 HydrophobicContact CG-CD2 4.24Å; M645-F651 WeakPolarHBondContact O-CB 3.46Å; M645-F651 PolarHBondContact O-N 3.16Å; M645-F651 HydrophobicContact SD-CD2 4.05Å; M645-F651 HydrophobicContact SD-CE2 4.21Å; M645-V656 HydrophobicContact CB-CG2 4.29Å; M645-L659 HydrophobicContact CE-CD1 3.86Å; M645-L659 HydrophobicContact SD-CD1 3.54Å; M645-L659 VanDerWaalsContact SD-CD1 3.54Å; M645-F660 HydrophobicContact CE-CE2 4.01Å; M645-F660 HydrophobicContact CE-CZ 4.37Å; M645-F742 HydrophobicContact CE-CE2 4.04Å; M645-F742 HydrophobicContact CE-CZ 4.42Å; M645-F742 HydrophobicContact CG-CE2 4.35Å; M645-F742 HydrophobicContact SD-CE2 3.94Å; M645-F745 HydrophobicContact CE-CE1 4.2Å; M645-F745 HydrophobicContact CG-CD1 4.38Å; M645-F745 HydrophobicContact CG-CE1 3.66Å; M645-F745 HydrophobicContact CG-CZ 4.02Å; M645-I760 HydrophobicContact CE-CD1 3.42Å; M645-I760 VanDerWaalsContact CE-CD1 3.42Å
646	M	96.1	Very high	95.3	Very high	75 Å²	75	44.4 Å²	44.4	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-68.8	-39.9	178.4	-63	174.8	77.1	0	0	111.7	S642 Q643 L650 Q653 V656	S642-M646 WeakPolarHBondContact O-CG 3.38Å; S642-M646 PolarHBondContact O-N 3.15Å; Q643-M646 PolarHBondContact O-N 3.38Å; M646-L650 WeakPolarHBondContact O-CA 3.28Å; M646-L650 PolarHBondContact O-N 3.21Å; M646-Q653 VanDerWaalsContact CE-OE1 3.25Å; M646-Q653 PolarHBondContact SD-OE1 3.34Å; M646-Q653 VanDerWaalsContact SD-OE1 3.39Å; M646-V656 HydrophobicContact CG-CG2 3.97Å
647	A	95.1	Very high	95.4	Very high	63 Å²	63	46.8 Å²	46.8	52%	0.521	25%	0.247	S	C	.	.	H	α-helix	trans	-81.3	-60.2	178.6	0	0	0	0	0	113.2	Q643 L649	Q643-A647 WeakPolarHBondContact O-CB 3.48Å; Q643-A647 PolarHBondContact O-N 3.35Å; A647-L649 PolarHBondContact O-N 3.31Å
648	D	94.4	Very high	95.4	Very high	72 Å²	72	51.3 Å²	51.3	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-75.7	-26.9	-169.8	-57.5	-7.2	0	0	0	112.6	G644 F745 K749	G644-D648 WeakPolarHBondContact O-CA 3.47Å; G644-D648 WeakPolarHBondContact O-CB 3.42Å; G644-D648 PolarHBondContact O-N 2.93Å; D648-F745 HydrophobicContact CB-CD2 3.85Å; D648-F745 HydrophobicContact CB-CE2 4.11Å; D648-F745 VanDerWaalsContact OD2-CD2 3.3Å; D648-F745 WeakPolarHBondContact OD2-CD2 3.48Å; D648-F745 VanDerWaalsContact OD2-CE2 3.29Å; D648-F745 WeakPolarHBondContact OD2-CE2 3.33Å; D648-K749 IonicContact OD2-NZ 3.78Å
649	L	95.3	Very high	95.5	Very high	17 Å²	17	50 Å²	50	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-118	-2.8	-174.5	-55.5	178.7	0	0	0	114.1	M645 A647 F651 R741 F742 F745	M645-L649 HydrophobicContact CG-CD1 4.29Å; M645-L649 CarbonylContact O-C 3.49Å; M645-L649 WeakPolarHBondContact O-CA 3.32Å; M645-L649 WeakPolarHBondContact O-CB 3.13Å; M645-L649 PolarHBondContact O-N 3.06Å; A647-L649 PolarHBondContact O-N 3.31Å; L649-F651 HydrophobicContact CB-CD1 3.69Å; L649-F651 HydrophobicContact CB-CE1 3.85Å; L649-F651 HydrophobicContact CB-CG 4.48Å; L649-F651 HydrophobicContact CD1-CE1 4.15Å; L649-F651 HydrophobicContact CD1-CZ 4.31Å; L649-F651 PolarHBondContact O-N 3.18Å; L649-R741 HydrophobicContact CD2-CB 3.85Å; L649-F742 HydrophobicContact CD1-CB 4.18Å; L649-F742 HydrophobicContact CD1-CD2 3.64Å; L649-F742 HydrophobicContact CD1-CG 4.33Å; L649-F745 HydrophobicContact CD1-CB 3.94Å; L649-F745 HydrophobicContact CD1-CD1 3.87Å; L649-F745 HydrophobicContact CD1-CD2 4.49Å; L649-F745 HydrophobicContact CD1-CG 3.85Å; L649-F745 HydrophobicContact CD2-CB 4.03Å; L649-F745 HydrophobicContact CG-CB 4.2Å; L649-F745 HydrophobicContact CG-CD2 4.41Å; L649-F745 HydrophobicContact CG-CG 4.17Å
650	L	95.8	Very high	95.7	Very high	147 Å²	147	49.4 Å²	49.4	77%	0.77	25%	0.25	S	S	*	.			trans	54.5	37	-176.5	-53	178.6	0	0	0	113.4	M645 M646	M645-L650 PolarHBondContact O-N 3.07Å; M646-L650 WeakPolarHBondContact O-CA 3.28Å; M646-L650 PolarHBondContact O-N 3.21Å
651	F	97.1	Very high	95.9	Very high	15 Å²	15	49.4 Å²	49.4	7%	0.066	25%	0.251	C	S	.	.			trans	-71.6	129.2	175	-83.2	25.2	0	0	0	110.9	M645 L649 M655 V656 L735 F742	M645-F651 HydrophobicContact CB-CB 4.08Å; M645-F651 HydrophobicContact CB-CD2 3.93Å; M645-F651 HydrophobicContact CB-CG 4.08Å; M645-F651 HydrophobicContact CG-CD2 4.24Å; M645-F651 WeakPolarHBondContact O-CB 3.46Å; M645-F651 PolarHBondContact O-N 3.16Å; M645-F651 HydrophobicContact SD-CD2 4.05Å; M645-F651 HydrophobicContact SD-CE2 4.21Å; L649-F651 HydrophobicContact CB-CD1 3.69Å; L649-F651 HydrophobicContact CB-CE1 3.85Å; L649-F651 HydrophobicContact CB-CG 4.48Å; L649-F651 HydrophobicContact CD1-CE1 4.15Å; L649-F651 HydrophobicContact CD1-CZ 4.31Å; L649-F651 PolarHBondContact O-N 3.18Å; F651-M655 HydrophobicContact CB-CB 4.18Å; F651-M655 HydrophobicContact CB-SD 4.49Å; F651-M655 HydrophobicContact CD1-CE 3.66Å; F651-M655 HydrophobicContact CD1-SD 4.42Å; F651-M655 HydrophobicContact CD2-CB 3.97Å; F651-M655 HydrophobicContact CD2-CE 3.97Å; F651-M655 HydrophobicContact CE1-CE 3.67Å; F651-M655 HydrophobicContact CE2-CE 3.98Å; F651-M655 HydrophobicContact CG-CB 4.2Å; F651-M655 HydrophobicContact CG-CE 3.81Å; F651-M655 HydrophobicContact CG-SD 4.33Å; F651-M655 HydrophobicContact CZ-CE 3.83Å; F651-V656 HydrophobicContact CB-CG2 4.06Å; F651-L735 HydrophobicContact CE2-CD1 3.87Å; F651-L735 HydrophobicContact CZ-CD1 4.06Å; F651-L735 HydrophobicContact CZ-CD2 4.25Å; F651-F742 AromaticContact CE2-CD2 3.94Å; F651-F742 HydrophobicContact CE2-CD2 3.94Å; F651-F742 AromaticContact CE2-CE2 4Å; F651-F742 HydrophobicContact CE2-CE2 4Å; F651-F742 AromaticContact CZ-CD2 3.67Å; F651-F742 HydrophobicContact CZ-CD2 3.67Å; F651-F742 HydrophobicContact CZ-CE2 4.2Å
652	E	96.6	Very high	96	Very high	126 Å²	126	50.3 Å²	50.3	59%	0.589	26%	0.257	S	S	*	.			trans	-61.6	153.2	167.7	-62.8	174.3	-171.2	0	0	111.5	Q654 M655 V656	E652-Q654 PolarHBondContact O-N 3.03Å; E652-Q654 VanDerWaalsContact O-N 3.09Å; E652-M655 HydrophobicContact CB-CG 4.33Å; E652-M655 WeakPolarHBondContact O-CA 3.35Å; E652-M655 WeakPolarHBondContact O-CB 3.2Å; E652-M655 PolarHBondContact O-N 3.49Å; E652-V656 PolarHBondContact O-N 3.04Å
653	Q	94.8	Very high	96	Very high	83 Å²	83	50.1 Å²	50.1	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-52.3	-35.7	172.5	-169.8	66.6	14.9	0	0	112.2	M646 M655 V656 E657	M646-Q653 VanDerWaalsContact CE-OE1 3.25Å; M646-Q653 PolarHBondContact SD-OE1 3.34Å; M646-Q653 VanDerWaalsContact SD-OE1 3.39Å; Q653-M655 VanDerWaalsContact C-N 3.27Å; Q653-M655 PolarHBondContact O-N 3.25Å; Q653-V656 PolarHBondContact O-N 3.32Å; Q653-E657 WeakPolarHBondContact O-CB 3.41Å; Q653-E657 PolarHBondContact O-N 2.98Å
654	Q	94.9	Very high	96.2	Very high	142 Å²	142	50.1 Å²	50.1	66%	0.664	26%	0.258	S	S	*	.	H	α-helix	trans	-70.2	-17.9	176.7	-60.5	-166.1	27.1	0	0	114.2	E652 K658	E652-Q654 PolarHBondContact O-N 3.03Å; E652-Q654 VanDerWaalsContact O-N 3.09Å; Q654-K658 WeakPolarHBondContact O-CD 3.27Å; Q654-K658 WeakPolarHBondContact O-CE 3.41Å; Q654-K658 WeakPolarHBondContact O-CG 3.49Å; Q654-K658 PolarHBondContact O-NZ 2.87Å
655	M	96.2	Very high	96.4	Very high	47 Å²	47	52.6 Å²	52.6	23%	0.232	27%	0.268	C	S	.	.	H	α-helix	trans	-81.8	-41.7	169.6	-65.8	177.4	62.6	0	0	110.5	F651 E652 Q653 K658	F651-M655 HydrophobicContact CB-CB 4.18Å; F651-M655 HydrophobicContact CB-SD 4.49Å; F651-M655 HydrophobicContact CD1-CE 3.66Å; F651-M655 HydrophobicContact CD1-SD 4.42Å; F651-M655 HydrophobicContact CD2-CB 3.97Å; F651-M655 HydrophobicContact CD2-CE 3.97Å; F651-M655 HydrophobicContact CE1-CE 3.67Å; F651-M655 HydrophobicContact CE2-CE 3.98Å; F651-M655 HydrophobicContact CG-CB 4.2Å; F651-M655 HydrophobicContact CG-CE 3.81Å; F651-M655 HydrophobicContact CG-SD 4.33Å; F651-M655 HydrophobicContact CZ-CE 3.83Å; E652-M655 HydrophobicContact CB-CG 4.33Å; E652-M655 WeakPolarHBondContact O-CA 3.35Å; E652-M655 WeakPolarHBondContact O-CB 3.2Å; E652-M655 PolarHBondContact O-N 3.49Å; Q653-M655 VanDerWaalsContact C-N 3.27Å; Q653-M655 PolarHBondContact O-N 3.25Å; M655-K658 WeakPolarHBondContact O-CB 3.23Å; M655-K658 PolarHBondContact O-N 3.01Å
656	V	97	Very high	96.5	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-39.4	178.8	-171.7	0	0	0	0	112	S642 M645 M646 F651 E652 Q653 K658 L659 F660	S642-V656 WeakPolarHBondContact OG-CG1 3.26Å; M645-V656 HydrophobicContact CB-CG2 4.29Å; M646-V656 HydrophobicContact CG-CG2 3.97Å; F651-V656 HydrophobicContact CB-CG2 4.06Å; E652-V656 PolarHBondContact O-N 3.04Å; Q653-V656 PolarHBondContact O-N 3.32Å; V656-K658 PolarHBondContact O-N 3.11Å; V656-K658 VanDerWaalsContact O-N 3.07Å; V656-L659 WeakPolarHBondContact O-CA 3.41Å; V656-L659 WeakPolarHBondContact O-CB 3.13Å; V656-L659 PolarHBondContact O-N 3.03Å; V656-F660 HydrophobicContact CG1-CD2 3.9Å; V656-F660 PolarHBondContact O-N 3.23Å
657	E	96.1	Very high	96.6	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-18.8	172.6	-92.5	-77	125.9	0	0	113.8	Q653 P661 C662 K720	Q653-E657 WeakPolarHBondContact O-CB 3.41Å; Q653-E657 PolarHBondContact O-N 2.98Å; E657-P661 WeakPolarHBondContact O-CA 3.26Å; E657-P661 WeakPolarHBondContact O-CB 3.19Å; E657-P661 WeakPolarHBondContact O-CD 3.23Å; E657-C662 PolarHBondContact OE1-N 3.31Å; E657-K720 IonicContact OE2-NZ 2.72Å; E657-K720 PolarHBondContact OE2-NZ 2.82Å
658	K	96.3	Very high	96.8	Very high	95 Å²	95	50 Å²	50	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-76.9	-24.9	171.8	-65.4	161.1	-171.4	147	0	112	Q654 M655 V656 S728 Y731	Q654-K658 WeakPolarHBondContact O-CD 3.27Å; Q654-K658 WeakPolarHBondContact O-CE 3.41Å; Q654-K658 WeakPolarHBondContact O-CG 3.49Å; Q654-K658 PolarHBondContact O-NZ 2.87Å; M655-K658 WeakPolarHBondContact O-CB 3.23Å; M655-K658 PolarHBondContact O-N 3.01Å; V656-K658 PolarHBondContact O-N 3.11Å; V656-K658 VanDerWaalsContact O-N 3.07Å; K658-S728 VanDerWaalsContact O-CA 3.23Å; K658-S728 WeakPolarHBondContact O-CA 3.46Å; K658-S728 WeakPolarHBondContact O-CB 3.43Å; K658-S728 PolarHBondContact O-OG 3.06Å; K658-Y731 HydrophobicContact CB-CD1 3.54Å; K658-Y731 HydrophobicContact CB-CE1 3.61Å; K658-Y731 HydrophobicContact CB-CG 4.46Å; K658-Y731 HydrophobicContact CD-CD1 4.49Å; K658-Y731 HydrophobicContact CD-CE1 3.96Å; K658-Y731 HydrophobicContact CG-CE1 4.43Å
659	L	97.2	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-93.2	-42.2	176	-64.7	174.3	0	0	0	112.2	M645 V656 P661 S728 Y731 F732 L735 F742 I764	M645-L659 HydrophobicContact CE-CD1 3.86Å; M645-L659 HydrophobicContact SD-CD1 3.54Å; M645-L659 VanDerWaalsContact SD-CD1 3.54Å; V656-L659 WeakPolarHBondContact O-CA 3.41Å; V656-L659 WeakPolarHBondContact O-CB 3.13Å; V656-L659 PolarHBondContact O-N 3.03Å; L659-P661 VanDerWaalsContact C-CD 3.5Å; L659-S728 WeakPolarHBondContact O-CB 3.43Å; L659-Y731 HydrophobicContact CD2-CD1 3.62Å; L659-Y731 HydrophobicContact CD2-CE1 4.38Å; L659-Y731 HydrophobicContact CD2-CG 4.34Å; L659-Y731 HydrophobicContact CG-CD1 3.83Å; L659-Y731 HydrophobicContact CG-CE1 4.18Å; L659-F732 HydrophobicContact CD2-CB 3.87Å; L659-L735 HydrophobicContact CD1-CD1 4.33Å; L659-F742 HydrophobicContact CD1-CE2 4.24Å; L659-F742 HydrophobicContact CD1-CZ 4.28Å; L659-I764 WeakPolarHBondContact O-CD1 3.46Å
660	F	97.5	Very high	97.1	Very high	2 Å²	2	46 Å²	46	1%	0.009	23%	0.229	C	C	.	.	S	Bend	trans	-129.9	64.1	-174.8	-50.6	-51.1	0	0	0	112.5	M637 Y641 M645 V656 C662 L663 I760 I764	M637-F660 HydrophobicContact CE-CD1 3.37Å; M637-F660 HydrophobicContact CE-CE1 3.74Å; M637-F660 HydrophobicContact CE-CG 4.14Å; M637-F660 HydrophobicContact CG-CE1 4.36Å; Y641-F660 HydrophobicContact CG-CZ 4.47Å; M645-F660 HydrophobicContact CE-CE2 4.01Å; M645-F660 HydrophobicContact CE-CZ 4.37Å; V656-F660 HydrophobicContact CG1-CD2 3.9Å; V656-F660 PolarHBondContact O-N 3.23Å; F660-C662 PolarHBondContact O-N 3.43Å; F660-L663 HydrophobicContact CB-CB 4.03Å; F660-L663 HydrophobicContact CB-CD2 3.92Å; F660-L663 HydrophobicContact CB-CG 4.45Å; F660-L663 HydrophobicContact CD2-CD2 4.21Å; F660-L663 HydrophobicContact CG-CD2 4.25Å; F660-L663 WeakPolarHBondContact O-CB 3.02Å; F660-L663 PolarHBondContact O-N 3.38Å; F660-I760 HydrophobicContact CE1-CG2 3.84Å; F660-I760 HydrophobicContact CZ-CB 4.49Å; F660-I760 HydrophobicContact CZ-CG1 4.13Å; F660-I760 HydrophobicContact CZ-CG2 3.86Å; F660-I764 HydrophobicContact CD1-CD1 4.29Å; F660-I764 HydrophobicContact CD1-CG1 4.03Å; F660-I764 HydrophobicContact CE1-CD1 4.1Å; F660-I764 HydrophobicContact CE1-CG1 3.97Å
661	P	96.5	Very high	97.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	125.5	-175.7	23.8	-33.5	0	0	0	113	E657 L659 K720 F721 Q724	E657-P661 WeakPolarHBondContact O-CA 3.26Å; E657-P661 WeakPolarHBondContact O-CB 3.19Å; E657-P661 WeakPolarHBondContact O-CD 3.23Å; L659-P661 VanDerWaalsContact C-CD 3.5Å; P661-K720 HydrophobicContact CB-CG 4.29Å; P661-F721 HydrophobicContact CG-CD2 4.29Å; P661-F721 WeakPolarHBondContact O-CD2 3.45Å; P661-Q724 HydrophobicContact CG-CB 4Å
662	C	96.6	Very high	97.3	Very high	18 Å²	18	43.9 Å²	43.9	12%	0.122	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	31.4	-176.2	-17.6	0	0	0	0	114.9	E657 F660 D664 E665 L666 T717 K720	E657-C662 PolarHBondContact OE1-N 3.31Å; F660-C662 PolarHBondContact O-N 3.43Å; C662-D664 PolarHBondContact O-N 3.31Å; C662-E665 HydrophobicContact CB-CB 4.14Å; C662-E665 PolarHBondContact O-N 2.84Å; C662-L666 PolarHBondContact O-N 3.05Å; C662-T717 HydrophobicContact CB-CG2 3.85Å; C662-K720 WeakPolarHBondContact SG-CD 3.33Å; C662-K720 VanDerWaalsContact SG-CG 3.51Å; C662-K720 PolarHBondContact SG-NZ 2.66Å
663	L	97.8	Very high	97.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-45.7	-175.4	-178.4	56.2	0	0	0	113.6	L634 M637 F660 E665 L666 I667	L634-L663 HydrophobicContact CD2-CD1 3.88Å; M637-L663 HydrophobicContact CB-CD1 3.86Å; M637-L663 HydrophobicContact CB-CD2 3.89Å; M637-L663 HydrophobicContact CE-CD1 4.14Å; M637-L663 HydrophobicContact SD-CD1 4.45Å; F660-L663 HydrophobicContact CB-CB 4.03Å; F660-L663 HydrophobicContact CB-CD2 3.92Å; F660-L663 HydrophobicContact CB-CG 4.45Å; F660-L663 HydrophobicContact CD2-CD2 4.21Å; F660-L663 HydrophobicContact CG-CD2 4.25Å; F660-L663 WeakPolarHBondContact O-CB 3.02Å; F660-L663 PolarHBondContact O-N 3.38Å; L663-E665 VanDerWaalsContact C-N 3.31Å; L663-E665 PolarHBondContact O-N 3.43Å; L663-L666 WeakPolarHBondContact O-CB 3.48Å; L663-L666 PolarHBondContact O-N 3.39Å; L663-I667 HydrophobicContact CD1-CD1 4.32Å; L663-I667 HydrophobicContact CG-CD1 4.09Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 3.06Å
664	D	97.6	Very high	97.5	Very high	86 Å²	86	34.3 Å²	34.3	46%	0.46	17%	0.174	S	C	.	.	H	α-helix	trans	-70.3	-31.4	-176.4	-48.2	-57.6	0	0	0	112.1	C662 I667 S668	C662-D664 PolarHBondContact O-N 3.31Å; D664-I667 PolarHBondContact O-N 2.93Å; D664-S668 WeakPolarHBondContact O-CB 3.44Å; D664-S668 PolarHBondContact O-N 3.27Å
665	E	98.4	Very high	97.6	Very high	56 Å²	56	31.9 Å²	31.9	26%	0.262	16%	0.163	S	C	.	.	H	α-helix	trans	-67.8	-40.2	173.1	178.8	69.1	168.1	0	0	111.2	C662 L663 S668 I669 R713 T717	C662-E665 HydrophobicContact CB-CB 4.14Å; C662-E665 PolarHBondContact O-N 2.84Å; L663-E665 VanDerWaalsContact C-N 3.31Å; L663-E665 PolarHBondContact O-N 3.43Å; E665-S668 PolarHBondContact O-N 3.34Å; E665-I669 HydrophobicContact CG-CD1 4.15Å; E665-I669 WeakPolarHBondContact O-CD1 3.23Å; E665-I669 VanDerWaalsContact O-CG1 3.23Å; E665-I669 WeakPolarHBondContact O-CG1 3.11Å; E665-I669 PolarHBondContact O-N 2.92Å; E665-R713 WeakPolarHBondContact OE1-CG 3.25Å; E665-R713 IonicContact OE1-CZ 2.65Å; E665-R713 IonicContact OE1-NE 3.77Å; E665-R713 PolarHBondContact OE1-NE 3.2Å; E665-R713 IonicContact OE1-NH2 2.85Å; E665-R713 IonicContact OE2-CZ 3.37Å; E665-R713 IonicContact OE2-NE 3.91Å; E665-R713 PolarHBondContact OE2-NE 3.39Å; E665-R713 IonicContact OE2-NH2 3.7Å; E665-R713 PolarHBondContact OE2-NH2 2.92Å; E665-T717 HydrophobicContact CB-CG2 4.2Å; E665-T717 HydrophobicContact CG-CG2 3.7Å; E665-T717 WeakPolarHBondContact CG-OG1 3.26Å
666	L	98.6	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-45.6	170.2	-73.2	168.5	0	0	0	111.4	L634 C662 L663 S668 I669 H670 T717 Y718 F721 V767	L634-L666 HydrophobicContact CD1-CB 4.09Å; L634-L666 HydrophobicContact CD2-CB 3.88Å; L634-L666 HydrophobicContact CD2-CD1 4.14Å; C662-L666 PolarHBondContact O-N 3.05Å; L663-L666 WeakPolarHBondContact O-CB 3.48Å; L663-L666 PolarHBondContact O-N 3.39Å; L666-S668 VanDerWaalsContact C-N 3.29Å; L666-S668 PolarHBondContact O-N 2.82Å; L666-I669 PolarHBondContact O-N 3.26Å; L666-H670 WeakPolarHBondContact O-CB 3.48Å; L666-H670 PolarHBondContact O-CD2 3.14Å; L666-H670 PolarHBondContact O-N 3.4Å; L666-T717 HydrophobicContact CD2-CG2 3.61Å; L666-T717 HydrophobicContact CG-CG2 3.63Å; L666-Y718 HydrophobicContact CD2-CD2 4.25Å; L666-Y718 HydrophobicContact CD2-CE2 4.01Å; L666-F721 HydrophobicContact CD1-CB 4.49Å; L666-F721 HydrophobicContact CD1-CD2 3.48Å; L666-F721 VanDerWaalsContact CD1-CD2 3.48Å; L666-F721 HydrophobicContact CD1-CE2 3.88Å; L666-F721 HydrophobicContact CD1-CG 4.08Å; L666-V767 HydrophobicContact CD1-CG1 3.84Å
667	I	98.5	Very high	97.7	Very high	33 Å²	33	34.9 Å²	34.9	17%	0.169	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-45.5	176.2	-69.6	166.4	0	0	0	110.1	L634 L663 D664 S671	L634-I667 HydrophobicContact CB-CG1 3.67Å; L663-I667 HydrophobicContact CD1-CD1 4.32Å; L663-I667 HydrophobicContact CG-CD1 4.09Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 3.06Å; D664-I667 PolarHBondContact O-N 2.93Å; I667-S671 WeakPolarHBondContact O-CB 3.46Å; I667-S671 PolarHBondContact O-N 2.95Å; I667-S671 PolarHBondContact O-OG 2.84Å
668	S	98.7	Very high	97.7	Very high	52 Å²	52	33.6 Å²	33.6	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-60.2	-52.8	178.2	-178.8	0	0	0	0	112.3	D664 E665 L666 H670 Q672 R713	D664-S668 WeakPolarHBondContact O-CB 3.44Å; D664-S668 PolarHBondContact O-N 3.27Å; E665-S668 PolarHBondContact O-N 3.34Å; L666-S668 VanDerWaalsContact C-N 3.29Å; L666-S668 PolarHBondContact O-N 2.82Å; S668-H670 PolarHBondContact O-N 3.07Å; S668-Q672 VanDerWaalsContact O-CB 3.28Å; S668-Q672 WeakPolarHBondContact O-CB 3.43Å; S668-Q672 PolarHBondContact O-N 3.34Å; S668-R713 VanDerWaalsContact CB-NH2 3.33Å; S668-R713 PolarHBondContact OG-NH2 2.86Å
669	I	98.7	Very high	97.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-51.8	-179.9	-64.5	160.4	0	0	0	111	E665 L666 Q672 F673 R713 L714 T717	E665-I669 HydrophobicContact CG-CD1 4.15Å; E665-I669 WeakPolarHBondContact O-CD1 3.23Å; E665-I669 VanDerWaalsContact O-CG1 3.23Å; E665-I669 WeakPolarHBondContact O-CG1 3.11Å; E665-I669 PolarHBondContact O-N 2.92Å; L666-I669 PolarHBondContact O-N 3.26Å; I669-Q672 PolarHBondContact O-N 3.14Å; I669-F673 PolarHBondContact O-N 2.89Å; I669-R713 HydrophobicContact CD1-CG 3.93Å; I669-R713 HydrophobicContact CG1-CG 4.1Å; I669-L714 HydrophobicContact CG2-CD2 3.77Å; I669-L714 HydrophobicContact CG2-CG 4.18Å; I669-T717 HydrophobicContact CD1-CG2 4.1Å
670	H	98.7	Very high	97.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-74.5	-33	-173	-71.3	-71.6	0	0	0	112.9	E627 H630 V631 L634 L666 S668 F674 Y718 Y774	E627-H670 IonicContact OE1-CE1 2.75Å; E627-H670 IonicContact OE1-CG 3.6Å; E627-H670 IonicContact OE1-ND1 2.74Å; E627-H670 PolarHBondContact OE1-ND1 3.44Å; H630-H670 AromaticContact CD2-CD2 3.78Å; H630-H670 AromaticContact CD2-CE1 3.64Å; H630-H670 AromaticContact CD2-CG 3.42Å; H630-H670 VanDerWaalsContact CD2-CG 3.42Å; H630-H670 AromaticContact CD2-ND1 3.33Å; H630-H670 PolarHBondContact CD2-ND1 3.01Å; H630-H670 VanDerWaalsContact CD2-ND1 3.33Å; H630-H670 AromaticContact CD2-NE2 3.88Å; H630-H670 AromaticContact NE2-CD2 3.18Å; H630-H670 PolarHBondContact NE2-CD2 2.91Å; H630-H670 AromaticContact NE2-CE1 3.21Å; H630-H670 PolarHBondContact NE2-CE1 3.32Å; H630-H670 AromaticContact NE2-CG 3.34Å; H630-H670 VanDerWaalsContact NE2-CG 3.34Å; H630-H670 AromaticContact NE2-ND1 3.36Å; H630-H670 PolarHBondContact NE2-ND1 3.14Å; H630-H670 AromaticContact NE2-NE2 3.07Å; H630-H670 PolarHBondContact NE2-NE2 2.97Å; V631-H670 HydrophobicContact CG2-CB 3.82Å; V631-H670 WeakPolarHBondContact CG2-O 3.34Å; L634-H670 HydrophobicContact CD1-CB 3.96Å; L666-H670 WeakPolarHBondContact O-CB 3.48Å; L666-H670 PolarHBondContact O-CD2 3.14Å; L666-H670 PolarHBondContact O-N 3.4Å; S668-H670 PolarHBondContact O-N 3.07Å; H670-F674 VanDerWaalsContact O-CB 3.23Å; H670-F674 WeakPolarHBondContact O-CB 3.33Å; H670-F674 PolarHBondContact O-N 2.92Å; H670-Y718 AromaticContact CE1-CE2 3.97Å; H670-Y718 PolarHBondContact CE1-OH 2.9Å; H670-Y718 AromaticContact NE2-CE2 3.47Å; H670-Y718 WeakPolarHBondContact NE2-CE2 3.31Å; H670-Y718 AromaticContact NE2-CZ 3.65Å; H670-Y718 PolarHBondContact NE2-OH 3.29Å; H670-Y718 VanDerWaalsContact NE2-OH 3.15Å; H670-Y774 PolarHBondContact CE1-OH 2.81Å; H670-Y774 VanDerWaalsContact CE1-OH 3.28Å; H670-Y774 PolarHBondContact ND1-OH 2.85Å
671	S	98	Very high	97.5	Very high	30 Å²	30	35.7 Å²	35.7	21%	0.21	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-42	172.2	-55.2	0	0	0	0	111	I667 F674 Q675	I667-S671 WeakPolarHBondContact O-CB 3.46Å; I667-S671 PolarHBondContact O-N 2.95Å; I667-S671 PolarHBondContact O-OG 2.84Å; S671-F674 PolarHBondContact O-N 3.1Å; S671-Q675 WeakPolarHBondContact O-CG 3.49Å; S671-Q675 PolarHBondContact O-N 2.83Å
672	Q	98.4	Very high	97.4	Very high	86 Å²	86	43.3 Å²	43.3	40%	0.402	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-46.4	175.8	-172.6	175.4	27.1	0	0	111.5	S668 I669 F674 Q675 R676	S668-Q672 VanDerWaalsContact O-CB 3.28Å; S668-Q672 WeakPolarHBondContact O-CB 3.43Å; S668-Q672 PolarHBondContact O-N 3.34Å; I669-Q672 PolarHBondContact O-N 3.14Å; Q672-F674 PolarHBondContact O-N 3.11Å; Q672-Q675 PolarHBondContact O-N 3.31Å; Q672-R676 PolarHBondContact O-N 3.42Å; Q672-R676 VanDerWaalsContact O-N 3.12Å
673	F	98.8	Very high	97.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-46.7	176.2	-176	-146.2	0	0	0	112	E627 I669 Q675 R676 I677 V701 L702 Q705 F706 Y774	E627-F673 HydrophobicContact CG-CD1 4.01Å; E627-F673 HydrophobicContact CG-CE1 4.46Å; I669-F673 PolarHBondContact O-N 2.89Å; F673-Q675 PolarHBondContact O-N 2.94Å; F673-R676 PolarHBondContact O-N 3.33Å; F673-I677 HydrophobicContact CD1-CD1 4.39Å; F673-I677 HydrophobicContact CD2-CD1 4.23Å; F673-I677 HydrophobicContact CD2-CG1 4.42Å; F673-I677 HydrophobicContact CE1-CD1 4.1Å; F673-I677 HydrophobicContact CE2-CD1 3.94Å; F673-I677 HydrophobicContact CE2-CG1 4.2Å; F673-I677 HydrophobicContact CG-CD1 4.45Å; F673-I677 HydrophobicContact CZ-CD1 3.87Å; F673-I677 WeakPolarHBondContact O-CG1 3.21Å; F673-I677 PolarHBondContact O-N 3.43Å; F673-V701 HydrophobicContact CE2-CG1 4.38Å; F673-L702 HydrophobicContact CE2-CD2 3.9Å; F673-L702 HydrophobicContact CZ-CD2 3.73Å; F673-Q705 HydrophobicContact CB-CG 4.22Å; F673-Q705 VanDerWaalsContact CB-OE1 3.26Å; F673-Q705 HydrophobicContact CD1-CG 4.2Å; F673-Q705 HydrophobicContact CD2-CB 3.74Å; F673-Q705 HydrophobicContact CD2-CG 3.48Å; F673-Q705 VanDerWaalsContact CD2-CG 3.48Å; F673-Q705 HydrophobicContact CE1-CG 4.47Å; F673-Q705 HydrophobicContact CE2-CB 3.78Å; F673-Q705 HydrophobicContact CE2-CG 3.79Å; F673-Q705 HydrophobicContact CG-CB 4.47Å; F673-Q705 HydrophobicContact CG-CG 3.71Å; F673-Q705 HydrophobicContact CZ-CG 4.28Å; F673-F706 HydrophobicContact CE1-CE2 4.28Å; F673-F706 HydrophobicContact CZ-CE2 4.04Å; F673-Y774 AromaticContact CE1-CE1 3.81Å; F673-Y774 HydrophobicContact CE1-CE1 3.81Å
674	F	97.6	Very high	97.2	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-41.5	179.2	180	-123.9	0	0	0	112.3	L592 M624 E627 F628 V631 H670 S671 Q672 R676 I677 L678	L592-F674 HydrophobicContact CD1-CE2 3.8Å; L592-F674 HydrophobicContact CD1-CZ 3.64Å; M624-F674 HydrophobicContact CG-CE2 4.11Å; E627-F674 HydrophobicContact CB-CD2 4.25Å; E627-F674 HydrophobicContact CG-CB 4.02Å; E627-F674 HydrophobicContact CG-CD2 4.39Å; F628-F674 HydrophobicContact CB-CD2 4.43Å; F628-F674 HydrophobicContact CB-CE1 4.34Å; F628-F674 HydrophobicContact CB-CE2 3.7Å; F628-F674 HydrophobicContact CB-CZ 3.65Å; F628-F674 HydrophobicContact CD2-CE1 4.15Å; F628-F674 HydrophobicContact CD2-CZ 4.07Å; F628-F674 HydrophobicContact CG-CZ 4.18Å; V631-F674 HydrophobicContact CG2-CB 4.18Å; H670-F674 VanDerWaalsContact O-CB 3.23Å; H670-F674 WeakPolarHBondContact O-CB 3.33Å; H670-F674 PolarHBondContact O-N 2.92Å; S671-F674 PolarHBondContact O-N 3.1Å; Q672-F674 PolarHBondContact O-N 3.11Å; F674-R676 PolarHBondContact O-N 3.02Å; F674-I677 WeakPolarHBondContact O-CB 3.35Å; F674-I677 PolarHBondContact O-N 3.28Å; F674-I677 VanDerWaalsContact O-N 3.14Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CE1-CD1 3.66Å; F674-L678 HydrophobicContact CE1-CG 4.3Å; F674-L678 HydrophobicContact CE2-CD1 4.35Å; F674-L678 HydrophobicContact CE2-CD2 4.15Å; F674-L678 HydrophobicContact CE2-CG 4.12Å; F674-L678 HydrophobicContact CZ-CD1 3.74Å; F674-L678 HydrophobicContact CZ-CD2 4.04Å; F674-L678 HydrophobicContact CZ-CG 3.99Å; F674-L678 PolarHBondContact O-N 2.74Å
675	Q	96.9	Very high	97	Very high	91 Å²	91	48.4 Å²	48.4	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-39.9	175	-69.7	-60.4	-22.7	0	0	112.2	S671 Q672 F673 I677 L678 E679	S671-Q675 WeakPolarHBondContact O-CG 3.49Å; S671-Q675 PolarHBondContact O-N 2.83Å; Q672-Q675 PolarHBondContact O-N 3.31Å; F673-Q675 PolarHBondContact O-N 2.94Å; Q675-I677 VanDerWaalsContact C-N 3.26Å; Q675-I677 PolarHBondContact O-N 3.45Å; Q675-L678 CarbonylContact O-C 3.58Å; Q675-L678 PolarHBondContact O-N 3.34Å; Q675-E679 WeakPolarHBondContact O-CG 3.27Å; Q675-E679 PolarHBondContact O-N 3.01Å
676	R	98.3	Very high	96.7	Very high	112 Å²	112	47.4 Å²	47.4	42%	0.423	23%	0.229	S	C	.	.	H	α-helix	trans	-61	-33.3	173.2	-64.3	-49.8	-161.6	176.9	4	113.2	Q672 F673 F674 E679 R680 V701	Q672-R676 PolarHBondContact O-N 3.42Å; Q672-R676 VanDerWaalsContact O-N 3.12Å; F673-R676 PolarHBondContact O-N 3.33Å; F674-R676 PolarHBondContact O-N 3.02Å; R676-E679 WeakPolarHBondContact CD-OE2 3.38Å; R676-E679 IonicContact CZ-OE2 3.72Å; R676-E679 IonicContact NE-OE2 3.66Å; R676-E679 IonicContact NH1-OE1 3.34Å; R676-E679 PolarHBondContact NH1-OE1 2.87Å; R676-E679 IonicContact NH1-OE2 3.05Å; R676-E679 PolarHBondContact NH1-OE2 2.94Å; R676-R680 PolarHBondContact O-N 3.34Å; R676-R680 VanDerWaalsContact O-N 3.14Å; R676-V701 HydrophobicContact CB-CG1 3.77Å
677	I	97.4	Very high	95.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-70.8	-38	173.9	-60.7	167.1	0	0	0	110.9	M624 F673 F674 Q675 R680 K681	M624-I677 HydrophobicContact CB-CG2 3.73Å; M624-I677 HydrophobicContact CG-CG2 3.68Å; M624-I677 HydrophobicContact SD-CG2 3.93Å; F673-I677 HydrophobicContact CD1-CD1 4.39Å; F673-I677 HydrophobicContact CD2-CD1 4.23Å; F673-I677 HydrophobicContact CD2-CG1 4.42Å; F673-I677 HydrophobicContact CE1-CD1 4.1Å; F673-I677 HydrophobicContact CE2-CD1 3.94Å; F673-I677 HydrophobicContact CE2-CG1 4.2Å; F673-I677 HydrophobicContact CG-CD1 4.45Å; F673-I677 HydrophobicContact CZ-CD1 3.87Å; F673-I677 WeakPolarHBondContact O-CG1 3.21Å; F673-I677 PolarHBondContact O-N 3.43Å; F674-I677 WeakPolarHBondContact O-CB 3.35Å; F674-I677 PolarHBondContact O-N 3.28Å; F674-I677 VanDerWaalsContact O-N 3.14Å; Q675-I677 VanDerWaalsContact C-N 3.26Å; Q675-I677 PolarHBondContact O-N 3.45Å; I677-R680 PolarHBondContact O-N 2.76Å; I677-K681 WeakPolarHBondContact O-CB 3.35Å; I677-K681 PolarHBondContact O-N 3.32Å
678	L	94.8	Very high	94.8	Very high	24 Å²	24	63.4 Å²	63.4	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-70.1	-38	175.8	-67.9	-179.2	0	0	0	113	M624 F674 Q675 K681 K682	M624-L678 HydrophobicContact SD-CD2 4.04Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CE1-CD1 3.66Å; F674-L678 HydrophobicContact CE1-CG 4.3Å; F674-L678 HydrophobicContact CE2-CD1 4.35Å; F674-L678 HydrophobicContact CE2-CD2 4.15Å; F674-L678 HydrophobicContact CE2-CG 4.12Å; F674-L678 HydrophobicContact CZ-CD1 3.74Å; F674-L678 HydrophobicContact CZ-CD2 4.04Å; F674-L678 HydrophobicContact CZ-CG 3.99Å; F674-L678 PolarHBondContact O-N 2.74Å; Q675-L678 CarbonylContact O-C 3.58Å; Q675-L678 PolarHBondContact O-N 3.34Å; L678-K681 HydrophobicContact CD2-CD 4.26Å; L678-K681 WeakPolarHBondContact O-CB 3.49Å; L678-K681 PolarHBondContact O-N 2.93Å; L678-K682 WeakPolarHBondContact O-CB 3.47Å; L678-K682 PolarHBondContact O-N 3.24Å
679	E	96.3	Very high	94	Very high	80 Å²	80	62.3 Å²	62.3	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-55.5	-53.6	169.4	-72.9	167.6	-174.7	0	0	109.8	Q675 R676 K681 K682 E683	Q675-E679 WeakPolarHBondContact O-CG 3.27Å; Q675-E679 PolarHBondContact O-N 3.01Å; R676-E679 WeakPolarHBondContact CD-OE2 3.38Å; R676-E679 IonicContact CZ-OE2 3.72Å; R676-E679 IonicContact NE-OE2 3.66Å; R676-E679 IonicContact NH1-OE1 3.34Å; R676-E679 PolarHBondContact NH1-OE1 2.87Å; R676-E679 IonicContact NH1-OE2 3.05Å; R676-E679 PolarHBondContact NH1-OE2 2.94Å; E679-K681 VanDerWaalsContact C-N 3.32Å; E679-K681 PolarHBondContact O-N 2.78Å; E679-K682 WeakPolarHBondContact O-CB 3.35Å; E679-K682 PolarHBondContact O-N 3.2Å; E679-E683 WeakPolarHBondContact O-CG 3.22Å; E679-E683 PolarHBondContact O-N 3.38Å
680	R	97.2	Very high	93	Very high	38 Å²	38	70.7 Å²	70.7	14%	0.143	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-35	177.3	-175.5	52.2	54.1	74.2	5.7	113.5	R676 I677 E683 S684 I695 R697 I698 D700 V701	R676-R680 PolarHBondContact O-N 3.34Å; R676-R680 VanDerWaalsContact O-N 3.14Å; I677-R680 PolarHBondContact O-N 2.76Å; R680-E683 WeakPolarHBondContact CD-OE2 3.21Å; R680-E683 IonicContact CZ-OE2 3.76Å; R680-E683 IonicContact NE-OE2 2.76Å; R680-E683 PolarHBondContact NE-OE2 3.24Å; R680-E683 IonicContact NH2-OE2 2.74Å; R680-S684 VanDerWaalsContact O-CB 3.26Å; R680-S684 WeakPolarHBondContact O-CB 3.48Å; R680-S684 PolarHBondContact O-N 3.22Å; R680-S684 VanDerWaalsContact O-N 3.16Å; R680-S684 PolarHBondContact O-OG 3.15Å; R680-I695 HydrophobicContact CG-CG2 3.94Å; R680-R697 WeakPolarHBondContact CD-O 3.45Å; R680-R697 PolarHBondContact NH1-O 3.44Å; R680-I698 HydrophobicContact CB-CD1 4.22Å; R680-I698 HydrophobicContact CG-CD1 3.82Å; R680-D700 IonicContact CZ-OD1 3.49Å; R680-D700 IonicContact CZ-OD2 3.57Å; R680-D700 VanDerWaalsContact NH1-CG 3.31Å; R680-D700 IonicContact NH1-OD1 3.92Å; R680-D700 PolarHBondContact NH1-OD1 3.31Å; R680-D700 IonicContact NH1-OD2 3.12Å; R680-D700 PolarHBondContact NH1-OD2 3.06Å; R680-D700 IonicContact NH2-OD1 2.62Å; R680-D700 IonicContact NH2-OD2 2.7Å; R680-D700 PolarHBondContact NH2-OD2 3.04Å; R680-V701 HydrophobicContact CB-CG2 4.47Å
681	K	94.4	Very high	92.2	Very high	24 Å²	24	76.7 Å²	76.7	10%	0.104	36%	0.362	C	S	.	.	H	α-helix	trans	-60.3	-46.3	171.4	178.2	-165.9	176.1	-173	0	110.7	Q591 M624 I677 L678 E679 S684 F693 I695	Q591-K681 PolarHBondContact O-NZ 3.02Å; Q591-K681 VanDerWaalsContact O-NZ 3.14Å; M624-K681 HydrophobicContact CE-CD 4.19Å; M624-K681 HydrophobicContact SD-CB 4.36Å; M624-K681 HydrophobicContact SD-CD 3.88Å; M624-K681 HydrophobicContact SD-CG 4.47Å; I677-K681 WeakPolarHBondContact O-CB 3.35Å; I677-K681 PolarHBondContact O-N 3.32Å; L678-K681 HydrophobicContact CD2-CD 4.26Å; L678-K681 WeakPolarHBondContact O-CB 3.49Å; L678-K681 PolarHBondContact O-N 2.93Å; E679-K681 VanDerWaalsContact C-N 3.32Å; E679-K681 PolarHBondContact O-N 2.78Å; K681-S684 PolarHBondContact O-N 3.25Å; K681-S684 VanDerWaalsContact O-N 3.16Å; K681-F693 HydrophobicContact CG-CB 4.49Å; K681-F693 HydrophobicContact CG-CD1 4.16Å; K681-F693 HydrophobicContact CG-CD2 3.97Å; K681-F693 HydrophobicContact CG-CE1 4.42Å; K681-F693 HydrophobicContact CG-CE2 4.21Å; K681-F693 HydrophobicContact CG-CG 3.94Å; K681-F693 HydrophobicContact CG-CZ 4.43Å; K681-I695 HydrophobicContact CB-CD1 4.44Å
682	K	93.1	Very high	91.9	Very high	160 Å²	160	76 Å²	76	70%	0.696	36%	0.356	S	S	*	.	H	α-helix	trans	-67.2	-41.8	-178.9	-171.7	179.8	179.8	-178.4	0	112.2	L678 E679 S684 L685	L678-K682 WeakPolarHBondContact O-CB 3.47Å; L678-K682 PolarHBondContact O-N 3.24Å; E679-K682 WeakPolarHBondContact O-CB 3.35Å; E679-K682 PolarHBondContact O-N 3.2Å; K682-S684 PolarHBondContact O-N 3.19Å; K682-L685 HydrophobicContact CG-CD1 4.21Å; K682-L685 WeakPolarHBondContact O-CD1 3.27Å; K682-L685 WeakPolarHBondContact O-CG 3.42Å; K682-L685 PolarHBondContact O-N 3.03Å
683	E	94.8	Very high	91.7	Very high	131 Å²	131	72 Å²	72	61%	0.612	34%	0.337	S	S	*	.	H	α-helix	trans	-60.6	-24.8	171.3	-69.3	167.1	176.7	0	0	112.9	E679 R680	E679-E683 WeakPolarHBondContact O-CG 3.22Å; E679-E683 PolarHBondContact O-N 3.38Å; R680-E683 WeakPolarHBondContact CD-OE2 3.21Å; R680-E683 IonicContact CZ-OE2 3.76Å; R680-E683 IonicContact NE-OE2 2.76Å; R680-E683 PolarHBondContact NE-OE2 3.24Å; R680-E683 IonicContact NH2-OE2 2.74Å
684	S	95.4	Very high	91.6	Very high	18 Å²	18	73.6 Å²	73.6	13%	0.126	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	11.9	-175.6	-56.8	0	0	0	0	114.3	R680 K681 K682 F693 L694 I695	R680-S684 VanDerWaalsContact O-CB 3.26Å; R680-S684 WeakPolarHBondContact O-CB 3.48Å; R680-S684 PolarHBondContact O-N 3.22Å; R680-S684 VanDerWaalsContact O-N 3.16Å; R680-S684 PolarHBondContact O-OG 3.15Å; K681-S684 PolarHBondContact O-N 3.25Å; K681-S684 VanDerWaalsContact O-N 3.16Å; K682-S684 PolarHBondContact O-N 3.19Å; S684-F693 CarbonylContact O-C 3.53Å; S684-F693 WeakPolarHBondContact O-CA 3.44Å; S684-F693 WeakPolarHBondContact O-CB 3.49Å; S684-L694 PolarHBondContact O-N 2.78Å; S684-I695 WeakPolarHBondContact OG-CA 3.45Å
685	L	94.1	Very high	91.5	Very high	67 Å²	67	73.3 Å²	73.3	35%	0.351	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-68.2	152.3	175.9	-69.1	167.4	0	0	0	111.8	K682 S689 N692 F693	K682-L685 HydrophobicContact CG-CD1 4.21Å; K682-L685 WeakPolarHBondContact O-CD1 3.27Å; K682-L685 WeakPolarHBondContact O-CG 3.42Å; K682-L685 PolarHBondContact O-N 3.03Å; L685-S689 WeakPolarHBondContact CD2-O 3.4Å; L685-N692 CarbonylContact C-O 3.55Å; L685-N692 WeakPolarHBondContact CA-O 3.44Å; L685-F693 HydrophobicContact CD2-CB 4Å
686	V	91.6	Very high	91.5	Very high	35 Å²	35	76.7 Å²	76.7	21%	0.212	36%	0.357	C	S	.	.			trans	-122.7	136.1	-170.8	-177.1	0	0	0	0	111	F605 K688 S689 N692 L694	F605-V686 HydrophobicContact CE2-CB 4.38Å; F605-V686 HydrophobicContact CE2-CG1 3.98Å; F605-V686 HydrophobicContact CE2-CG2 4.34Å; F605-V686 HydrophobicContact CZ-CB 4.38Å; F605-V686 HydrophobicContact CZ-CG1 4.41Å; F605-V686 HydrophobicContact CZ-CG2 3.94Å; V686-K688 VanDerWaalsContact C-N 3.32Å; V686-K688 PolarHBondContact O-N 2.97Å; V686-S689 WeakPolarHBondContact O-CB 3.5Å; V686-S689 PolarHBondContact O-N 3.22Å; V686-N692 HydrophobicContact CB-CB 4.4Å; V686-N692 PolarHBondContact N-O 3.16Å; V686-L694 HydrophobicContact CG2-CB 4.47Å
687	D	79.4	Confident	91.4	Very high	155 Å²	155	76 Å²	76	83%	0.829	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.5	171.5	-57.8	-22.8	0	0	0	115.3	S689	D687-S689 PolarHBondContact O-N 3.48Å; D687-S689 VanDerWaalsContact O-N 3.09Å
688	K	77.4	Confident	91.4	Very high	214 Å²	214	76 Å²	76	93%	0.93	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	13.3	-174.4	-57.5	-175.4	178.5	-177.2	0	114.9	V686	V686-K688 VanDerWaalsContact C-N 3.32Å; V686-K688 PolarHBondContact O-N 2.97Å
689	S	81.9	Confident	91.6	Very high	28 Å²	28	74.8 Å²	74.8	20%	0.196	35%	0.349	C	S	.	.			trans	-74.2	134.2	172.5	-177.5	0	0	0	0	110.7	L685 V686 D687 K691 N692	L685-S689 WeakPolarHBondContact CD2-O 3.4Å; V686-S689 WeakPolarHBondContact O-CB 3.5Å; V686-S689 PolarHBondContact O-N 3.22Å; D687-S689 PolarHBondContact O-N 3.48Å; D687-S689 VanDerWaalsContact O-N 3.09Å; S689-K691 PolarHBondContact O-N 2.88Å; S689-K691 PolarHBondContact OG-N 2.87Å; S689-K691 VanDerWaalsContact OG-N 3.15Å; S689-N692 PolarHBondContact OG-N 3.11Å; S689-N692 VanDerWaalsContact OG-N 3.09Å; S689-N692 PolarHBondContact OG-ND2 2.72Å
690	E	77.8	Confident	91.7	Very high	181 Å²	181	73.2 Å²	73.2	85%	0.846	34%	0.343	S	S	*	.	S	Bend	trans	-78.3	-9.2	170.5	-58.4	-175.4	151.1	0	0	112.9
691	K	83.4	Confident	91.8	Very high	126 Å²	126	72 Å²	72	55%	0.548	34%	0.34	S	S	.	.	S	Bend	trans	-108.7	-39.1	-175.8	-66.3	-174.5	-179.8	179	0	114.1	S689 F693	S689-K691 PolarHBondContact O-N 2.88Å; S689-K691 PolarHBondContact OG-N 2.87Å; S689-K691 VanDerWaalsContact OG-N 3.15Å; K691-F693 VanDerWaalsContact O-CD1 3.31Å; K691-F693 WeakPolarHBondContact O-CD1 3.49Å; K691-F693 PolarHBondContact O-N 3.45Å
692	N	91.9	Very high	92	Very high	16 Å²	16	70.9 Å²	70.9	9%	0.086	34%	0.335	C	S	.	.			trans	-85.1	110.1	-174.8	-61.6	-44.6	0	0	0	110.4	D602 F605 L685 V686 S689	D602-N692 PolarHBondContact N-OD1 3.33Å; D602-N692 PolarHBondContact OD2-ND2 2.92Å; F605-N692 HydrophobicContact CD1-CB 3.83Å; F605-N692 HydrophobicContact CE1-CB 4.13Å; F605-N692 HydrophobicContact CG-CB 4.11Å; L685-N692 CarbonylContact C-O 3.55Å; L685-N692 WeakPolarHBondContact CA-O 3.44Å; V686-N692 HydrophobicContact CB-CB 4.4Å; V686-N692 PolarHBondContact N-O 3.16Å; S689-N692 PolarHBondContact OG-N 3.11Å; S689-N692 VanDerWaalsContact OG-N 3.09Å; S689-N692 PolarHBondContact OG-ND2 2.72Å
693	F	94.1	Very high	92.3	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.009	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-128.3	146.5	173.1	60.1	-83.9	0	0	0	111.5	W597 I600 Y621 M624 K681 S684 L685 K691 I695	W597-F693 AromaticContact CD1-CE2 3.44Å; W597-F693 VanDerWaalsContact CD1-CE2 3.44Å; W597-F693 AromaticContact CD1-CZ 3.49Å; W597-F693 VanDerWaalsContact CD1-CZ 3.49Å; W597-F693 VanDerWaalsContact CZ2-O 3.28Å; W597-F693 WeakPolarHBondContact CZ2-O 3.37Å; W597-F693 AromaticContact NE1-CD2 3.79Å; W597-F693 AromaticContact NE1-CE2 3.45Å; W597-F693 AromaticContact NE1-CZ 3.76Å; W597-F693 PolarHBondContact NE1-O 3.23Å; W597-F693 VanDerWaalsContact NE1-O 3.14Å; I600-F693 HydrophobicContact CD1-CE1 4.22Å; I600-F693 HydrophobicContact CG1-CE1 4.4Å; I600-F693 HydrophobicContact CG2-CE1 3.77Å; I600-F693 HydrophobicContact CG2-CZ 3.9Å; Y621-F693 HydrophobicContact CD2-CE2 4.45Å; Y621-F693 AromaticContact CD2-CZ 3.92Å; Y621-F693 HydrophobicContact CD2-CZ 3.92Å; Y621-F693 HydrophobicContact CE2-CZ 4.1Å; M624-F693 HydrophobicContact CE-CE2 4.32Å; M624-F693 HydrophobicContact CE-CZ 4.25Å; K681-F693 HydrophobicContact CG-CB 4.49Å; K681-F693 HydrophobicContact CG-CD1 4.16Å; K681-F693 HydrophobicContact CG-CD2 3.97Å; K681-F693 HydrophobicContact CG-CE1 4.42Å; K681-F693 HydrophobicContact CG-CE2 4.21Å; K681-F693 HydrophobicContact CG-CG 3.94Å; K681-F693 HydrophobicContact CG-CZ 4.43Å; S684-F693 CarbonylContact O-C 3.53Å; S684-F693 WeakPolarHBondContact O-CA 3.44Å; S684-F693 WeakPolarHBondContact O-CB 3.49Å; L685-F693 HydrophobicContact CD2-CB 4Å; K691-F693 VanDerWaalsContact O-CD1 3.31Å; K691-F693 WeakPolarHBondContact O-CD1 3.49Å; K691-F693 PolarHBondContact O-N 3.45Å; F693-I695 HydrophobicContact CD2-CD1 4.16Å; F693-I695 HydrophobicContact CD2-CG1 4.24Å; F693-I695 HydrophobicContact CE2-CD1 4.36Å
694	L	95.6	Very high	92.5	Very high	36 Å²	36	61.9 Å²	61.9	19%	0.188	30%	0.299	C	S	.	.			trans	-139.3	95	177.9	-167.1	167.2	0	0	0	109.3	F605 Q609 V613 S684 V686 K696	F605-L694 HydrophobicContact CZ-CB 4.21Å; F605-L694 HydrophobicContact CZ-CD1 4.11Å; Q609-L694 VanDerWaalsContact OE1-CD1 3.3Å; V613-L694 HydrophobicContact CG1-CD1 4.12Å; V613-L694 HydrophobicContact CG1-CD2 4.43Å; V613-L694 HydrophobicContact CG1-CG 4.34Å; S684-L694 PolarHBondContact O-N 2.78Å; V686-L694 HydrophobicContact CG2-CB 4.47Å; L694-K696 HydrophobicContact CD2-CG 3.99Å; L694-K696 PolarHBondContact O-N 3.26Å; L694-K696 VanDerWaalsContact O-N 3.09Å
695	I	96.8	Very high	92.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.			trans	-72	105.7	-174.3	-65.7	163.5	0	0	0	109.5	R616 Q617 I620 R680 K681 S684 F693 R697 I698	R616-I695 PolarHBondContact NH1-O 3.28Å; Q617-I695 PolarHBondContact NE2-O 2.88Å; I620-I695 HydrophobicContact CD1-CG2 4.34Å; I620-I695 HydrophobicContact CG2-CB 4.46Å; I620-I695 HydrophobicContact CG2-CD1 3.71Å; I620-I695 HydrophobicContact CG2-CG2 4.43Å; R680-I695 HydrophobicContact CG-CG2 3.94Å; K681-I695 HydrophobicContact CB-CD1 4.44Å; S684-I695 WeakPolarHBondContact OG-CA 3.45Å; F693-I695 HydrophobicContact CD2-CD1 4.16Å; F693-I695 HydrophobicContact CD2-CG1 4.24Å; F693-I695 HydrophobicContact CE2-CD1 4.36Å; I695-R697 WeakPolarHBondContact CG2-O 3.44Å; I695-I698 HydrophobicContact CG2-CB 4.02Å; I695-I698 HydrophobicContact CG2-CD1 4.43Å
696	K	95.4	Very high	92.9	Very high	162 Å²	162	58.2 Å²	58.2	70%	0.704	28%	0.278	S	S	*	.			trans	-77	-50.6	179.8	-69.7	-177.5	-178.1	175	0	112.1	R616 L694	R616-K696 PolarHBondContact NH1-O 3.31Å; R616-K696 PolarHBondContact NH2-O 3.34Å; L694-K696 HydrophobicContact CD2-CG 3.99Å; L694-K696 PolarHBondContact O-N 3.26Å; L694-K696 VanDerWaalsContact O-N 3.09Å
697	R	96.5	Very high	93.2	Very high	98 Å²	98	58.3 Å²	58.3	37%	0.37	28%	0.28	S	S	.	.			trans	-111.8	134.4	176.6	-157.8	-172.9	-173.1	125.4	-4.4	110.4	R680 I695 D700 E791 D794	R680-R697 WeakPolarHBondContact CD-O 3.45Å; R680-R697 PolarHBondContact NH1-O 3.44Å; I695-R697 WeakPolarHBondContact CG2-O 3.44Å; R697-D700 WeakPolarHBondContact CD-OD1 3.24Å; R697-D700 WeakPolarHBondContact CG-OD1 3.43Å; R697-D700 IonicContact NE-OD1 3.83Å; R697-E791 VanDerWaalsContact CA-OE2 3.3Å; R697-E791 WeakPolarHBondContact CA-OE2 3.2Å; R697-E791 WeakPolarHBondContact CG-OE2 3.49Å; R697-D794 IonicContact CZ-OD2 3.2Å; R697-D794 IonicContact NE-OD2 2.92Å; R697-D794 PolarHBondContact NE-OD2 3.44Å; R697-D794 VanDerWaalsContact NH2-CG 3.31Å; R697-D794 IonicContact NH2-OD1 3.31Å; R697-D794 PolarHBondContact NH2-OD1 2.83Å; R697-D794 IonicContact NH2-OD2 2.68Å; R697-D794 PolarHBondContact NH2-OD2 3.33Å
698	I	98.4	Very high	94.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.			trans	-137.5	-18.2	169.8	-166.2	61.4	0	0	0	112.4	I620 R680 I695 D700 V701 L702 I781 E791 L795	I620-I698 HydrophobicContact CD1-CG2 3.98Å; I620-I698 HydrophobicContact CG1-CG2 4.26Å; R680-I698 HydrophobicContact CB-CD1 4.22Å; R680-I698 HydrophobicContact CG-CD1 3.82Å; I695-I698 HydrophobicContact CG2-CB 4.02Å; I695-I698 HydrophobicContact CG2-CD1 4.43Å; I698-D700 VanDerWaalsContact C-N 3.28Å; I698-D700 PolarHBondContact O-N 3.2Å; I698-V701 HydrophobicContact CD1-CB 4.1Å; I698-V701 HydrophobicContact CD1-CG2 4.18Å; I698-V701 PolarHBondContact O-N 3.46Å; I698-V701 VanDerWaalsContact O-N 3.12Å; I698-L702 PolarHBondContact O-N 3.42Å; I698-I781 HydrophobicContact CG2-CG2 4.15Å; I698-E791 WeakPolarHBondContact CG2-OE1 3.36Å; I698-E791 PolarHBondContact N-OE1 2.94Å; I698-E791 PolarHBondContact N-OE2 3.21Å; I698-L795 HydrophobicContact CG2-CD2 4.26Å
699	G	98.6	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.4	-40.2	-175.2	0	0	0	0	0	113.3	V701 L702 V703 E791	G699-V701 VanDerWaalsContact C-N 3.32Å; G699-V701 PolarHBondContact O-N 2.93Å; G699-L702 CarbonylContact O-C 3.54Å; G699-L702 WeakPolarHBondContact O-CA 3.49Å; G699-L702 WeakPolarHBondContact O-CB 3.41Å; G699-L702 PolarHBondContact O-N 3.22Å; G699-V703 WeakPolarHBondContact O-CG2 3.16Å; G699-V703 PolarHBondContact O-N 2.92Å; G699-E791 PolarHBondContact N-OE1 3.23Å; G699-E791 PolarHBondContact N-OE2 3.31Å
700	D	98.5	Very high	95.8	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-41.6	177.1	61.1	-60.3	0	0	0	113.1	R680 R697 I698 L702 V703 N704 D794	R680-D700 IonicContact CZ-OD1 3.49Å; R680-D700 IonicContact CZ-OD2 3.57Å; R680-D700 VanDerWaalsContact NH1-CG 3.31Å; R680-D700 IonicContact NH1-OD1 3.92Å; R680-D700 PolarHBondContact NH1-OD1 3.31Å; R680-D700 IonicContact NH1-OD2 3.12Å; R680-D700 PolarHBondContact NH1-OD2 3.06Å; R680-D700 IonicContact NH2-OD1 2.62Å; R680-D700 IonicContact NH2-OD2 2.7Å; R680-D700 PolarHBondContact NH2-OD2 3.04Å; R697-D700 WeakPolarHBondContact CD-OD1 3.24Å; R697-D700 WeakPolarHBondContact CG-OD1 3.43Å; R697-D700 IonicContact NE-OD1 3.83Å; I698-D700 VanDerWaalsContact C-N 3.28Å; I698-D700 PolarHBondContact O-N 3.2Å; D700-L702 VanDerWaalsContact C-N 3.3Å; D700-L702 PolarHBondContact O-N 3.11Å; D700-V703 PolarHBondContact O-N 3.06Å; D700-N704 WeakPolarHBondContact O-CB 3.44Å; D700-N704 PolarHBondContact O-N 3.1Å; D700-D794 PolarHBondContact N-OD2 2.95Å; D700-D794 VanDerWaalsContact N-OD2 3.12Å
701	V	98.8	Very high	96.8	Very high	12 Å²	12	42 Å²	42	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-35.6	176.6	179.2	0	0	0	0	110.8	F673 R676 R680 I698 G699 Q705	F673-V701 HydrophobicContact CE2-CG1 4.38Å; R676-V701 HydrophobicContact CB-CG1 3.77Å; R680-V701 HydrophobicContact CB-CG2 4.47Å; I698-V701 HydrophobicContact CD1-CB 4.1Å; I698-V701 HydrophobicContact CD1-CG2 4.18Å; I698-V701 PolarHBondContact O-N 3.46Å; I698-V701 VanDerWaalsContact O-N 3.12Å; G699-V701 VanDerWaalsContact C-N 3.32Å; G699-V701 PolarHBondContact O-N 2.93Å; V701-Q705 WeakPolarHBondContact O-CB 3.46Å; V701-Q705 PolarHBondContact O-N 2.92Å; V701-Q705 VanDerWaalsContact O-N 3.12Å
702	L	98.8	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-75.2	-42.3	177.9	-50.8	-177.3	0	0	0	111.5	L623 F673 I698 G699 D700 N704 Q705 F706 F778 L795	L623-L702 HydrophobicContact CD2-CD2 3.94Å; F673-L702 HydrophobicContact CE2-CD2 3.9Å; F673-L702 HydrophobicContact CZ-CD2 3.73Å; I698-L702 PolarHBondContact O-N 3.42Å; G699-L702 CarbonylContact O-C 3.54Å; G699-L702 WeakPolarHBondContact O-CA 3.49Å; G699-L702 WeakPolarHBondContact O-CB 3.41Å; G699-L702 PolarHBondContact O-N 3.22Å; D700-L702 VanDerWaalsContact C-N 3.3Å; D700-L702 PolarHBondContact O-N 3.11Å; L702-N704 VanDerWaalsContact C-N 3.34Å; L702-N704 PolarHBondContact O-N 3.04Å; L702-Q705 PolarHBondContact O-N 2.65Å; L702-F706 WeakPolarHBondContact O-CD2 3.05Å; L702-F706 PolarHBondContact O-N 2.98Å; L702-F778 HydrophobicContact CB-CE2 4.37Å; L702-F778 HydrophobicContact CB-CZ 4.38Å; L702-F778 HydrophobicContact CD1-CD1 3.65Å; L702-F778 HydrophobicContact CD1-CD2 4.33Å; L702-F778 HydrophobicContact CD1-CE1 3.75Å; L702-F778 HydrophobicContact CD1-CE2 4.4Å; L702-F778 HydrophobicContact CD1-CG 3.99Å; L702-F778 HydrophobicContact CD1-CZ 4.13Å; L702-F778 HydrophobicContact CD2-CE1 3.81Å; L702-F778 HydrophobicContact CD2-CZ 3.89Å; L702-F778 HydrophobicContact CG-CE1 4.31Å; L702-F778 HydrophobicContact CG-CZ 4.35Å; L702-L795 HydrophobicContact CD1-CD2 3.88Å
703	V	98.9	Very high	97.9	Very high	22 Å²	22	41.8 Å²	41.8	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-48.1	173.5	172.5	0	0	0	0	109.8	G699 D700 Q705 F706 S707 D794 Q797 L801	G699-V703 WeakPolarHBondContact O-CG2 3.16Å; G699-V703 PolarHBondContact O-N 2.92Å; D700-V703 PolarHBondContact O-N 3.06Å; V703-Q705 VanDerWaalsContact C-N 3.33Å; V703-Q705 PolarHBondContact O-N 3.07Å; V703-F706 PolarHBondContact O-N 3.11Å; V703-S707 WeakPolarHBondContact O-CB 3.31Å; V703-S707 PolarHBondContact O-N 2.66Å; V703-S707 PolarHBondContact O-OG 3.35Å; V703-D794 HydrophobicContact CG2-CB 4.13Å; V703-D794 VanDerWaalsContact CG2-O 3.27Å; V703-D794 WeakPolarHBondContact CG2-O 3.5Å; V703-Q797 HydrophobicContact CG2-CB 4.23Å; V703-L801 HydrophobicContact CG1-CD1 4.26Å
704	N	98.7	Very high	98.1	Very high	80 Å²	80	41.7 Å²	41.7	43%	0.428	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-40.2	176.6	172.4	79.2	0	0	0	112.8	D700 L702 N710	D700-N704 WeakPolarHBondContact O-CB 3.44Å; D700-N704 PolarHBondContact O-N 3.1Å; L702-N704 VanDerWaalsContact C-N 3.34Å; L702-N704 PolarHBondContact O-N 3.04Å; N704-N710 PolarHBondContact O-ND2 3.31Å
705	Q	98.7	Very high	98.2	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-72.8	-30.9	-179.3	-176.9	57.5	64.7	0	0	113.8	F673 V701 L702 V703 N710 L714	F673-Q705 HydrophobicContact CB-CG 4.22Å; F673-Q705 VanDerWaalsContact CB-OE1 3.26Å; F673-Q705 HydrophobicContact CD1-CG 4.2Å; F673-Q705 HydrophobicContact CD2-CB 3.74Å; F673-Q705 HydrophobicContact CD2-CG 3.48Å; F673-Q705 VanDerWaalsContact CD2-CG 3.48Å; F673-Q705 HydrophobicContact CE1-CG 4.47Å; F673-Q705 HydrophobicContact CE2-CB 3.78Å; F673-Q705 HydrophobicContact CE2-CG 3.79Å; F673-Q705 HydrophobicContact CG-CB 4.47Å; F673-Q705 HydrophobicContact CG-CG 3.71Å; F673-Q705 HydrophobicContact CZ-CG 4.28Å; V701-Q705 WeakPolarHBondContact O-CB 3.46Å; V701-Q705 PolarHBondContact O-N 2.92Å; V701-Q705 VanDerWaalsContact O-N 3.12Å; L702-Q705 PolarHBondContact O-N 2.65Å; V703-Q705 VanDerWaalsContact C-N 3.33Å; V703-Q705 PolarHBondContact O-N 3.07Å; Q705-N710 VanDerWaalsContact O-CB 3.29Å; Q705-N710 WeakPolarHBondContact O-CB 3.39Å; Q705-L714 WeakPolarHBondContact O-CD1 3.22Å
706	F	98.8	Very high	98.3	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-110.1	7.5	-172.9	-67.4	-86	0	0	0	114	F673 L702 V703 A711 L714 Y774 F778 L801 V802	F673-F706 HydrophobicContact CE1-CE2 4.28Å; F673-F706 HydrophobicContact CZ-CE2 4.04Å; L702-F706 WeakPolarHBondContact O-CD2 3.05Å; L702-F706 PolarHBondContact O-N 2.98Å; V703-F706 PolarHBondContact O-N 3.11Å; F706-A711 VanDerWaalsContact O-CB 3.24Å; F706-A711 WeakPolarHBondContact O-CB 3.48Å; F706-L714 HydrophobicContact CD1-CD1 3.66Å; F706-L714 HydrophobicContact CE1-CD1 3.6Å; F706-L714 HydrophobicContact CG-CD1 4.45Å; F706-L714 HydrophobicContact CZ-CD1 4.32Å; F706-Y774 AromaticContact CE1-CD2 3.97Å; F706-Y774 HydrophobicContact CE1-CD2 3.97Å; F706-Y774 HydrophobicContact CE1-CE2 4.34Å; F706-Y774 HydrophobicContact CE1-CG 4.44Å; F706-Y774 HydrophobicContact CZ-CD1 4.23Å; F706-Y774 AromaticContact CZ-CD2 3.69Å; F706-Y774 HydrophobicContact CZ-CD2 3.69Å; F706-Y774 HydrophobicContact CZ-CE1 4.43Å; F706-Y774 AromaticContact CZ-CE2 3.92Å; F706-Y774 HydrophobicContact CZ-CE2 3.92Å; F706-Y774 AromaticContact CZ-CG 3.87Å; F706-Y774 HydrophobicContact CZ-CG 3.87Å; F706-F778 AromaticContact CD2-CE2 3.84Å; F706-F778 HydrophobicContact CD2-CE2 3.84Å; F706-F778 HydrophobicContact CD2-CZ 4.04Å; F706-F778 AromaticContact CE2-CE2 3.78Å; F706-F778 HydrophobicContact CE2-CE2 3.78Å; F706-F778 AromaticContact CE2-CZ 3.55Å; F706-F778 HydrophobicContact CE2-CZ 3.55Å; F706-F778 HydrophobicContact CZ-CE2 4.37Å; F706-F778 HydrophobicContact CZ-CZ 4.15Å; F706-L801 HydrophobicContact CB-CB 4.01Å; F706-L801 WeakPolarHBondContact O-CB 3.23Å; F706-V802 HydrophobicContact CB-CB 4.48Å; F706-V802 HydrophobicContact CD1-CB 3.74Å; F706-V802 HydrophobicContact CD1-CG2 3.51Å; F706-V802 HydrophobicContact CE1-CB 4.17Å; F706-V802 HydrophobicContact CE1-CG2 3.45Å; F706-V802 VanDerWaalsContact CE1-CG2 3.45Å; F706-V802 HydrophobicContact CG-CB 4.06Å; F706-V802 HydrophobicContact CG-CG2 4.25Å; F706-V802 HydrophobicContact CZ-CG2 4.16Å
707	S	98.4	Very high	98.4	Very high	37 Å²	37	41.5 Å²	41.5	26%	0.259	21%	0.213	S	C	.	.	S	Bend	trans	-113.5	170.2	172.3	66	0	0	0	0	113.1	V703 N710 A711	V703-S707 WeakPolarHBondContact O-CB 3.31Å; V703-S707 PolarHBondContact O-N 2.66Å; V703-S707 PolarHBondContact O-OG 3.35Å; S707-N710 PolarHBondContact O-N 2.87Å; S707-A711 PolarHBondContact O-N 3.13Å
708	G	98.1	Very high	98.5	Very high	55 Å²	55	36.9 Å²	36.9	57%	0.567	20%	0.195	S	C	*	.	H	α-helix	trans	54.8	-143.6	172.8	0	0	0	0	0	114.5	N710 A711 E712	G708-N710 PolarHBondContact O-N 2.75Å; G708-A711 VanDerWaalsContact O-CB 3.28Å; G708-A711 WeakPolarHBondContact O-CB 3.4Å; G708-A711 PolarHBondContact O-N 2.98Å; G708-E712 PolarHBondContact O-N 3.36Å
709	E	98.1	Very high	98.5	Very high	137 Å²	137	36.9 Å²	36.9	64%	0.64	20%	0.195	S	C	*	.	H	α-helix	trans	-59.6	-33.4	178.7	-176.2	56.4	-150.4	0	0	112.3	A711 E712 R713	E709-A711 VanDerWaalsContact C-N 3.27Å; E709-A711 PolarHBondContact O-N 2.77Å; E709-E712 PolarHBondContact O-N 3.02Å; E709-R713 WeakPolarHBondContact O-CB 3.4Å; E709-R713 PolarHBondContact O-N 3.25Å
710	N	98.4	Very high	98.4	Very high	37 Å²	37	39.4 Å²	39.4	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-35.7	176.5	-63.9	-40.2	0	0	0	111.6	N704 Q705 S707 G708 L714	N704-N710 PolarHBondContact O-ND2 3.31Å; Q705-N710 VanDerWaalsContact O-CB 3.29Å; Q705-N710 WeakPolarHBondContact O-CB 3.39Å; S707-N710 PolarHBondContact O-N 2.87Å; G708-N710 PolarHBondContact O-N 2.75Å; N710-L714 WeakPolarHBondContact O-CB 3.29Å; N710-L714 WeakPolarHBondContact O-CG 3.44Å; N710-L714 PolarHBondContact O-N 3.28Å
711	A	98.6	Very high	98.3	Very high	6 Å²	6	37.3 Å²	37.3	5%	0.05	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-47.4	172.7	0	0	0	0	0	112	F706 S707 G708 E709 L714 K715 V805	F706-A711 VanDerWaalsContact O-CB 3.24Å; F706-A711 WeakPolarHBondContact O-CB 3.48Å; S707-A711 PolarHBondContact O-N 3.13Å; G708-A711 VanDerWaalsContact O-CB 3.28Å; G708-A711 WeakPolarHBondContact O-CB 3.4Å; G708-A711 PolarHBondContact O-N 2.98Å; E709-A711 VanDerWaalsContact C-N 3.27Å; E709-A711 PolarHBondContact O-N 2.77Å; A711-L714 WeakPolarHBondContact O-CB 3.44Å; A711-L714 PolarHBondContact O-N 2.97Å; A711-K715 WeakPolarHBondContact O-CB 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.42Å; A711-K715 PolarHBondContact O-N 3.4Å; A711-V805 HydrophobicContact CB-CG2 3.98Å
712	E	98.5	Very high	98.3	Very high	94 Å²	94	37 Å²	37	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-66.9	-38.6	179.5	-64.9	-47.7	130.6	0	0	112.2	G708 E709 L714 K715 K716	G708-E712 PolarHBondContact O-N 3.36Å; E709-E712 PolarHBondContact O-N 3.02Å; E712-L714 PolarHBondContact O-N 3.37Å; E712-K715 PolarHBondContact O-N 3.25Å; E712-K715 WeakPolarHBondContact OE1-CD 3.45Å; E712-K715 WeakPolarHBondContact OE1-CE 3.4Å; E712-K715 IonicContact OE1-NZ 3.79Å; E712-K715 PolarHBondContact OE1-NZ 3.21Å; E712-K715 WeakPolarHBondContact OE2-CD 3.45Å; E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 PolarHBondContact O-N 3.39Å
713	R	98.4	Very high	98.1	Very high	44 Å²	44	37.4 Å²	37.4	17%	0.166	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-45.1	172	-163.1	-179.2	178.4	-152.7	-0.8	111.4	E665 S668 I669 E709 T717	E665-R713 WeakPolarHBondContact OE1-CG 3.25Å; E665-R713 IonicContact OE1-CZ 2.65Å; E665-R713 IonicContact OE1-NE 3.77Å; E665-R713 PolarHBondContact OE1-NE 3.2Å; E665-R713 IonicContact OE1-NH2 2.85Å; E665-R713 IonicContact OE2-CZ 3.37Å; E665-R713 IonicContact OE2-NE 3.91Å; E665-R713 PolarHBondContact OE2-NE 3.39Å; E665-R713 IonicContact OE2-NH2 3.7Å; E665-R713 PolarHBondContact OE2-NH2 2.92Å; S668-R713 VanDerWaalsContact CB-NH2 3.33Å; S668-R713 PolarHBondContact OG-NH2 2.86Å; I669-R713 HydrophobicContact CD1-CG 3.93Å; I669-R713 HydrophobicContact CG1-CG 4.1Å; E709-R713 WeakPolarHBondContact O-CB 3.4Å; E709-R713 PolarHBondContact O-N 3.25Å; R713-T717 VanDerWaalsContact O-CB 3.26Å; R713-T717 WeakPolarHBondContact O-CB 3.35Å; R713-T717 PolarHBondContact O-N 2.91Å; R713-T717 PolarHBondContact O-OG1 3.23Å
714	L	98.6	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-51.9	171.4	-81.8	166.9	0	0	0	112.2	I669 Q705 F706 N710 A711 E712 K716 T717 Y718 V805	I669-L714 HydrophobicContact CG2-CD2 3.77Å; I669-L714 HydrophobicContact CG2-CG 4.18Å; Q705-L714 WeakPolarHBondContact O-CD1 3.22Å; F706-L714 HydrophobicContact CD1-CD1 3.66Å; F706-L714 HydrophobicContact CE1-CD1 3.6Å; F706-L714 HydrophobicContact CG-CD1 4.45Å; F706-L714 HydrophobicContact CZ-CD1 4.32Å; N710-L714 WeakPolarHBondContact O-CB 3.29Å; N710-L714 WeakPolarHBondContact O-CG 3.44Å; N710-L714 PolarHBondContact O-N 3.28Å; A711-L714 WeakPolarHBondContact O-CB 3.44Å; A711-L714 PolarHBondContact O-N 2.97Å; E712-L714 PolarHBondContact O-N 3.37Å; L714-K716 VanDerWaalsContact C-N 3.34Å; L714-K716 PolarHBondContact O-N 3.2Å; L714-T717 PolarHBondContact O-N 2.99Å; L714-Y718 HydrophobicContact CD2-CD2 3.89Å; L714-Y718 HydrophobicContact CD2-CE2 3.87Å; L714-Y718 WeakPolarHBondContact O-CB 3.39Å; L714-Y718 PolarHBondContact O-N 3.39Å; L714-V805 HydrophobicContact CB-CG1 4.01Å
715	K	98.5	Very high	97.7	Very high	47 Å²	47	35.1 Å²	35.1	20%	0.204	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-44.1	-179.3	-71.3	168	-175	173.5	0	112.2	A711 E712 G719 V805 A808	A711-K715 WeakPolarHBondContact O-CB 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.42Å; A711-K715 PolarHBondContact O-N 3.4Å; E712-K715 PolarHBondContact O-N 3.25Å; E712-K715 WeakPolarHBondContact OE1-CD 3.45Å; E712-K715 WeakPolarHBondContact OE1-CE 3.4Å; E712-K715 IonicContact OE1-NZ 3.79Å; E712-K715 PolarHBondContact OE1-NZ 3.21Å; E712-K715 WeakPolarHBondContact OE2-CD 3.45Å; K715-G719 VanDerWaalsContact O-CA 3.27Å; K715-G719 WeakPolarHBondContact O-CA 3.32Å; K715-G719 PolarHBondContact O-N 3.5Å; K715-V805 HydrophobicContact CG-CB 4.25Å; K715-V805 HydrophobicContact CG-CG1 4.02Å; K715-V805 HydrophobicContact CG-CG2 4.17Å; K715-A808 HydrophobicContact CB-CB 4.47Å; K715-A808 HydrophobicContact CD-CB 3.79Å; K715-A808 HydrophobicContact CG-CB 3.83Å
716	K	97.9	Very high	97.4	Very high	143 Å²	143	37.5 Å²	37.5	62%	0.622	20%	0.195	S	C	*	.	H	α-helix	trans	-62.8	-52.3	177.7	178.2	-176	177.4	-172.5	0	111.3	E712 L714 K720	E712-K716 WeakPolarHBondContact O-CB 3.43Å; E712-K716 PolarHBondContact O-N 3.39Å; L714-K716 VanDerWaalsContact C-N 3.34Å; L714-K716 PolarHBondContact O-N 3.2Å; K716-K720 PolarHBondContact O-N 3.45Å
717	T	98.4	Very high	97.2	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-72.6	-50.9	-172.6	-59.6	0	0	0	0	111.8	C662 E665 L666 I669 R713 L714 G719 K720 F721	C662-T717 HydrophobicContact CB-CG2 3.85Å; E665-T717 HydrophobicContact CB-CG2 4.2Å; E665-T717 HydrophobicContact CG-CG2 3.7Å; E665-T717 WeakPolarHBondContact CG-OG1 3.26Å; L666-T717 HydrophobicContact CD2-CG2 3.61Å; L666-T717 HydrophobicContact CG-CG2 3.63Å; I669-T717 HydrophobicContact CD1-CG2 4.1Å; R713-T717 VanDerWaalsContact O-CB 3.26Å; R713-T717 WeakPolarHBondContact O-CB 3.35Å; R713-T717 PolarHBondContact O-N 2.91Å; R713-T717 PolarHBondContact O-OG1 3.23Å; L714-T717 PolarHBondContact O-N 2.99Å; T717-G719 VanDerWaalsContact C-N 3.31Å; T717-G719 PolarHBondContact O-N 3.16Å; T717-K720 PolarHBondContact O-N 3.02Å; T717-F721 WeakPolarHBondContact O-CB 3.48Å; T717-F721 PolarHBondContact O-N 3.29Å
718	Y	98.6	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-34.6	173.3	-89.1	-77.2	0	0	0	112.4	L666 H670 L714 K720 F721 C722 V767 I771	L666-Y718 HydrophobicContact CD2-CD2 4.25Å; L666-Y718 HydrophobicContact CD2-CE2 4.01Å; H670-Y718 AromaticContact CE1-CE2 3.97Å; H670-Y718 PolarHBondContact CE1-OH 2.9Å; H670-Y718 AromaticContact NE2-CE2 3.47Å; H670-Y718 WeakPolarHBondContact NE2-CE2 3.31Å; H670-Y718 AromaticContact NE2-CZ 3.65Å; H670-Y718 PolarHBondContact NE2-OH 3.29Å; H670-Y718 VanDerWaalsContact NE2-OH 3.15Å; L714-Y718 HydrophobicContact CD2-CD2 3.89Å; L714-Y718 HydrophobicContact CD2-CE2 3.87Å; L714-Y718 WeakPolarHBondContact O-CB 3.39Å; L714-Y718 PolarHBondContact O-N 3.39Å; Y718-K720 VanDerWaalsContact C-N 3.32Å; Y718-K720 PolarHBondContact O-N 3.15Å; Y718-F721 PolarHBondContact O-N 3.24Å; Y718-C722 VanDerWaalsContact O-CB 3.26Å; Y718-C722 WeakPolarHBondContact O-CB 3.44Å; Y718-C722 PolarHBondContact O-N 3.23Å; Y718-C722 PolarHBondContact O-SG 3.36Å; Y718-V767 HydrophobicContact CE1-CG1 4.29Å; Y718-V767 WeakPolarHBondContact CE1-O 3.42Å; Y718-I771 HydrophobicContact CD1-CB 4.27Å; Y718-I771 HydrophobicContact CD1-CD1 4.26Å; Y718-I771 HydrophobicContact CD1-CG2 4.36Å; Y718-I771 HydrophobicContact CD2-CD1 3.81Å; Y718-I771 HydrophobicContact CD2-CG1 4.46Å; Y718-I771 HydrophobicContact CE1-CB 4Å; Y718-I771 HydrophobicContact CE1-CG2 4.34Å; Y718-I771 HydrophobicContact CE2-CB 4.33Å; Y718-I771 HydrophobicContact CE2-CD1 4.28Å; Y718-I771 HydrophobicContact CE2-CG1 4.45Å; Y718-I771 HydrophobicContact CG-CD1 3.78Å
719	G	97.4	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-35	175.9	0	0	0	0	0	113.6	K715 T717 G723 Y816	K715-G719 VanDerWaalsContact O-CA 3.27Å; K715-G719 WeakPolarHBondContact O-CA 3.32Å; K715-G719 PolarHBondContact O-N 3.5Å; T717-G719 VanDerWaalsContact C-N 3.31Å; T717-G719 PolarHBondContact O-N 3.16Å; G719-G723 PolarHBondContact O-N 3.26Å; G719-Y816 WeakPolarHBondContact O-CE2 3.49Å
720	K	96.4	Very high	97	Very high	54 Å²	54	35.2 Å²	35.2	24%	0.235	17%	0.17	C	C	.	.	H	α-helix	trans	-75.6	-47.5	169.9	174.6	163.9	164.3	-112	0	111.7	E657 P661 C662 K716 T717 Y718 G723 Q724 Y816	E657-K720 IonicContact OE2-NZ 2.72Å; E657-K720 PolarHBondContact OE2-NZ 2.82Å; P661-K720 HydrophobicContact CB-CG 4.29Å; C662-K720 WeakPolarHBondContact SG-CD 3.33Å; C662-K720 VanDerWaalsContact SG-CG 3.51Å; C662-K720 PolarHBondContact SG-NZ 2.66Å; K716-K720 PolarHBondContact O-N 3.45Å; T717-K720 PolarHBondContact O-N 3.02Å; Y718-K720 VanDerWaalsContact C-N 3.32Å; Y718-K720 PolarHBondContact O-N 3.15Å; K720-G723 PolarHBondContact O-N 2.94Å; K720-Q724 VanDerWaalsContact CE-OE1 3.24Å; K720-Q724 VanDerWaalsContact CG-OE1 3.29Å; K720-Q724 WeakPolarHBondContact O-CG 3.49Å; K720-Q724 PolarHBondContact O-N 3.06Å; K720-Q724 VanDerWaalsContact O-N 3.07Å; K720-Y816 HydrophobicContact CB-CE2 4.49Å; K720-Y816 WeakPolarHBondContact CG-OH 3.35Å
721	F	97.8	Very high	97	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-55.1	-177.8	-169.8	-80	0	0	0	112.2	M637 P661 L666 T717 Y718 G723 Q724 H725 I764 V767	M637-F721 HydrophobicContact CE-CE2 4.24Å; M637-F721 HydrophobicContact CE-CZ 4.15Å; P661-F721 HydrophobicContact CG-CD2 4.29Å; P661-F721 WeakPolarHBondContact O-CD2 3.45Å; L666-F721 HydrophobicContact CD1-CB 4.49Å; L666-F721 HydrophobicContact CD1-CD2 3.48Å; L666-F721 VanDerWaalsContact CD1-CD2 3.48Å; L666-F721 HydrophobicContact CD1-CE2 3.88Å; L666-F721 HydrophobicContact CD1-CG 4.08Å; T717-F721 WeakPolarHBondContact O-CB 3.48Å; T717-F721 PolarHBondContact O-N 3.29Å; Y718-F721 PolarHBondContact O-N 3.24Å; F721-G723 PolarHBondContact O-N 2.8Å; F721-Q724 PolarHBondContact O-N 3.35Å; F721-H725 PolarHBondContact O-N 3.28Å; F721-H725 VanDerWaalsContact O-N 3.08Å; F721-I764 HydrophobicContact CE1-CG2 4.03Å; F721-I764 HydrophobicContact CZ-CB 4.42Å; F721-I764 HydrophobicContact CZ-CG1 4.43Å; F721-I764 HydrophobicContact CZ-CG2 4.1Å; F721-V767 HydrophobicContact CD1-CG1 3.95Å; F721-V767 HydrophobicContact CD2-CG1 4.38Å; F721-V767 HydrophobicContact CE1-CB 3.84Å; F721-V767 HydrophobicContact CE1-CG1 3.57Å; F721-V767 HydrophobicContact CE2-CG1 4.05Å; F721-V767 HydrophobicContact CG-CG1 4.36Å; F721-V767 HydrophobicContact CZ-CB 3.82Å; F721-V767 HydrophobicContact CZ-CG1 3.64Å; F721-V767 HydrophobicContact CZ-CG2 4.42Å
722	C	97.6	Very high	96.9	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-37.5	179	-62	0	0	0	0	111.8	L25 Y718 Q724 H725 V809 V813	L25-C722 HydrophobicContact CD1-CB 4.35Å; Y718-C722 VanDerWaalsContact O-CB 3.26Å; Y718-C722 WeakPolarHBondContact O-CB 3.44Å; Y718-C722 PolarHBondContact O-N 3.23Å; Y718-C722 PolarHBondContact O-SG 3.36Å; C722-Q724 PolarHBondContact O-N 3.27Å; C722-H725 VanDerWaalsContact O-CB 3.26Å; C722-H725 WeakPolarHBondContact O-CB 3.38Å; C722-H725 PolarHBondContact O-N 3.16Å; C722-H725 VanDerWaalsContact O-N 3.16Å; C722-V809 HydrophobicContact CB-CG1 4.29Å; C722-V813 HydrophobicContact CB-CG2 3.57Å
723	G	94.9	Very high	96.9	Very high	9 Å²	9	37.5 Å²	37.5	9%	0.093	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-20.2	176.4	0	0	0	0	0	114.1	G719 K720 F721 Q727 Y816	G719-G723 PolarHBondContact O-N 3.26Å; K720-G723 PolarHBondContact O-N 2.94Å; F721-G723 PolarHBondContact O-N 2.8Å; G723-Q727 PolarHBondContact O-NE2 2.78Å; G723-Y816 WeakPolarHBondContact O-CB 3.43Å
724	Q	95.1	Very high	96.9	Very high	34 Å²	34	38.7 Å²	38.7	16%	0.159	18%	0.184	C	C	.	.	H	α-helix	trans	-102.8	-7.1	174.5	-67.9	-171.7	-112.6	0	0	114	P661 K720 F721 C722 N726 Q727 S728 Y816	P661-Q724 HydrophobicContact CG-CB 4Å; K720-Q724 VanDerWaalsContact CE-OE1 3.24Å; K720-Q724 VanDerWaalsContact CG-OE1 3.29Å; K720-Q724 WeakPolarHBondContact O-CG 3.49Å; K720-Q724 PolarHBondContact O-N 3.06Å; K720-Q724 VanDerWaalsContact O-N 3.07Å; F721-Q724 PolarHBondContact O-N 3.35Å; C722-Q724 PolarHBondContact O-N 3.27Å; Q724-N726 PolarHBondContact O-N 3.2Å; Q724-N726 VanDerWaalsContact O-N 3.16Å; Q724-Q727 WeakPolarHBondContact O-CA 3.33Å; Q724-Q727 WeakPolarHBondContact O-CB 3.41Å; Q724-Q727 PolarHBondContact O-N 3.08Å; Q724-S728 PolarHBondContact O-N 2.62Å; Q724-S728 PolarHBondContact O-OG 3.49Å; Q724-Y816 HydrophobicContact CG-CD1 4.28Å; Q724-Y816 HydrophobicContact CG-CE1 3.96Å
725	H	94.8	Very high	96.8	Very high	20 Å²	20	39.7 Å²	39.7	9%	0.093	19%	0.189	C	C	.	.	H	α-helix	trans	-41.9	-55.9	-176.4	179.4	101.1	0	0	0	114	F721 C722 Q727 S728 V729 T768	F721-H725 PolarHBondContact O-N 3.28Å; F721-H725 VanDerWaalsContact O-N 3.08Å; C722-H725 VanDerWaalsContact O-CB 3.26Å; C722-H725 WeakPolarHBondContact O-CB 3.38Å; C722-H725 PolarHBondContact O-N 3.16Å; C722-H725 VanDerWaalsContact O-N 3.16Å; H725-Q727 VanDerWaalsContact C-N 3.3Å; H725-Q727 PolarHBondContact O-N 3.29Å; H725-S728 PolarHBondContact O-N 3.04Å; H725-V729 WeakPolarHBondContact O-CB 3.33Å; H725-V729 WeakPolarHBondContact O-CG2 3.38Å; H725-V729 PolarHBondContact O-N 3.18Å; H725-T768 PolarHBondContact ND1-OG1 2.89Å
726	N	92.9	Very high	96.7	Very high	57 Å²	57	41.2 Å²	41.2	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-64.8	-32.7	-178.9	-79.3	-37.1	0	0	0	112.8	Q724 N730	Q724-N726 PolarHBondContact O-N 3.2Å; Q724-N726 VanDerWaalsContact O-N 3.16Å; N726-N730 VanDerWaalsContact O-CB 3.24Å; N726-N730 WeakPolarHBondContact O-CB 3.47Å; N726-N730 PolarHBondContact O-N 3.2Å; N726-N730 VanDerWaalsContact O-N 3.12Å; N726-N730 PolarHBondContact O-ND2 2.97Å
727	Q	94.3	Very high	96.7	Very high	80 Å²	80	38.1 Å²	38.1	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-71.3	-46.6	176.3	-61	168.7	72	0	0	110.5	G723 Q724 H725 N730 Y731 V820	G723-Q727 PolarHBondContact O-NE2 2.78Å; Q724-Q727 WeakPolarHBondContact O-CA 3.33Å; Q724-Q727 WeakPolarHBondContact O-CB 3.41Å; Q724-Q727 PolarHBondContact O-N 3.08Å; H725-Q727 VanDerWaalsContact C-N 3.3Å; H725-Q727 PolarHBondContact O-N 3.29Å; Q727-N730 PolarHBondContact O-N 2.86Å; Q727-Y731 WeakPolarHBondContact O-CB 3.31Å; Q727-Y731 PolarHBondContact O-N 3.14Å; Q727-V820 HydrophobicContact CG-CG2 4.43Å
728	S	97	Very high	96.6	Very high	1 Å²	1	45 Å²	45	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-46	178.7	-57.6	0	0	0	0	112.5	K658 L659 Q724 H725 N730 Y731 F732	K658-S728 VanDerWaalsContact O-CA 3.23Å; K658-S728 WeakPolarHBondContact O-CA 3.46Å; K658-S728 WeakPolarHBondContact O-CB 3.43Å; K658-S728 PolarHBondContact O-OG 3.06Å; L659-S728 WeakPolarHBondContact O-CB 3.43Å; Q724-S728 PolarHBondContact O-N 2.62Å; Q724-S728 PolarHBondContact O-OG 3.49Å; H725-S728 PolarHBondContact O-N 3.04Å; S728-N730 VanDerWaalsContact C-N 3.33Å; S728-N730 PolarHBondContact O-N 2.9Å; S728-Y731 PolarHBondContact O-N 2.87Å; S728-F732 PolarHBondContact O-N 3.45Å
729	V	96.9	Very high	96.6	Very high	17 Å²	17	47.1 Å²	47.1	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-34.8	176.5	170	0	0	0	0	111.8	H725 K733 I764	H725-V729 WeakPolarHBondContact O-CB 3.33Å; H725-V729 WeakPolarHBondContact O-CG2 3.38Å; H725-V729 PolarHBondContact O-N 3.18Å; V729-K733 VanDerWaalsContact O-CG 3.31Å; V729-K733 WeakPolarHBondContact O-CG 3.44Å; V729-K733 PolarHBondContact O-N 2.95Å; V729-I764 HydrophobicContact CG2-CD1 4.44Å; V729-I764 HydrophobicContact CG2-CG2 4.06Å
730	N	95.7	Very high	96.6	Very high	85 Å²	85	55.7 Å²	55.7	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-76.7	-34.5	175.9	-71.3	-16.9	0	0	0	112.8	N726 Q727 S728 K733 D734	N726-N730 VanDerWaalsContact O-CB 3.24Å; N726-N730 WeakPolarHBondContact O-CB 3.47Å; N726-N730 PolarHBondContact O-N 3.2Å; N726-N730 VanDerWaalsContact O-N 3.12Å; N726-N730 PolarHBondContact O-ND2 2.97Å; Q727-N730 PolarHBondContact O-N 2.86Å; S728-N730 VanDerWaalsContact C-N 3.33Å; S728-N730 PolarHBondContact O-N 2.9Å; N730-K733 PolarHBondContact O-N 3.12Å; N730-K733 PolarHBondContact OD1-NZ 3.47Å; N730-D734 PolarHBondContact O-N 3.42Å
731	Y	97.6	Very high	96.6	Very high	56 Å²	56	61.2 Å²	61.2	22%	0.22	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-41.3	172.8	-175.8	-130.6	0	0	0	111.4	K658 L659 Q727 S728 K733 D734 L735	K658-Y731 HydrophobicContact CB-CD1 3.54Å; K658-Y731 HydrophobicContact CB-CE1 3.61Å; K658-Y731 HydrophobicContact CB-CG 4.46Å; K658-Y731 HydrophobicContact CD-CD1 4.49Å; K658-Y731 HydrophobicContact CD-CE1 3.96Å; K658-Y731 HydrophobicContact CG-CE1 4.43Å; L659-Y731 HydrophobicContact CD2-CD1 3.62Å; L659-Y731 HydrophobicContact CD2-CE1 4.38Å; L659-Y731 HydrophobicContact CD2-CG 4.34Å; L659-Y731 HydrophobicContact CG-CD1 3.83Å; L659-Y731 HydrophobicContact CG-CE1 4.18Å; Q727-Y731 WeakPolarHBondContact O-CB 3.31Å; Q727-Y731 PolarHBondContact O-N 3.14Å; S728-Y731 PolarHBondContact O-N 2.87Å; Y731-K733 PolarHBondContact O-N 3.16Å; Y731-D734 PolarHBondContact O-N 3.24Å; Y731-L735 HydrophobicContact CD1-CD1 4.13Å; Y731-L735 HydrophobicContact CD2-CD1 4.39Å; Y731-L735 HydrophobicContact CD2-CG 4.25Å; Y731-L735 HydrophobicContact CE1-CD1 3.79Å; Y731-L735 HydrophobicContact CE2-CD1 4.06Å; Y731-L735 HydrophobicContact CE2-CD2 4.14Å; Y731-L735 HydrophobicContact CE2-CG 3.97Å; Y731-L735 HydrophobicContact CG-CD1 4.42Å; Y731-L735 WeakPolarHBondContact O-CG 3.41Å; Y731-L735 PolarHBondContact O-N 2.8Å
732	F	98.1	Very high	96.6	Very high	21 Å²	21	61 Å²	61	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-48.9	169.2	169.7	-93.6	0	0	0	112.1	L659 S728 D734 L735 Y736 F742 V746 I760 P761	L659-F732 HydrophobicContact CD2-CB 3.87Å; S728-F732 PolarHBondContact O-N 3.45Å; F732-D734 VanDerWaalsContact C-N 3.31Å; F732-D734 PolarHBondContact O-N 3.34Å; F732-L735 PolarHBondContact O-N 3.47Å; F732-Y736 HydrophobicContact CE1-CG 4.48Å; F732-Y736 HydrophobicContact CE2-CD2 4.4Å; F732-Y736 HydrophobicContact CZ-CD2 4.02Å; F732-Y736 HydrophobicContact CZ-CG 4.14Å; F732-Y736 WeakPolarHBondContact O-CB 3.42Å; F732-Y736 PolarHBondContact O-N 3.39Å; F732-F742 AromaticContact CD2-CE1 3.77Å; F732-F742 HydrophobicContact CD2-CE1 3.77Å; F732-F742 AromaticContact CD2-CZ 3.84Å; F732-F742 HydrophobicContact CD2-CZ 3.84Å; F732-F742 AromaticContact CE2-CE1 3.85Å; F732-F742 HydrophobicContact CE2-CE1 3.85Å; F732-F742 HydrophobicContact CE2-CZ 4.17Å; F732-V746 HydrophobicContact CE2-CG1 4.25Å; F732-V746 HydrophobicContact CE2-CG2 4.14Å; F732-V746 HydrophobicContact CZ-CG1 4.39Å; F732-I760 HydrophobicContact CB-CG2 4.48Å; F732-I760 HydrophobicContact CD2-CB 3.79Å; F732-I760 HydrophobicContact CD2-CD1 4.07Å; F732-I760 HydrophobicContact CD2-CG2 3.64Å; F732-I760 HydrophobicContact CE2-CB 3.81Å; F732-I760 HydrophobicContact CE2-CD1 3.95Å; F732-I760 HydrophobicContact CE2-CG1 4.35Å; F732-I760 HydrophobicContact CE2-CG2 4.21Å; F732-I760 HydrophobicContact CG-CG2 4.18Å; F732-P761 HydrophobicContact CD1-CG 3.44Å; F732-P761 VanDerWaalsContact CD1-CG 3.44Å; F732-P761 HydrophobicContact CE1-CG 3.45Å; F732-P761 VanDerWaalsContact CE1-CG 3.45Å; F732-P761 HydrophobicContact CG-CG 4.1Å; F732-P761 HydrophobicContact CZ-CG 4.12Å
733	K	97.9	Very high	96.6	Very high	107 Å²	107	63.6 Å²	63.6	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-41.6	178.9	-70.6	167	-163.5	160	0	111.7	V729 N730 Y731 Y736 A737	V729-K733 VanDerWaalsContact O-CG 3.31Å; V729-K733 WeakPolarHBondContact O-CG 3.44Å; V729-K733 PolarHBondContact O-N 2.95Å; N730-K733 PolarHBondContact O-N 3.12Å; N730-K733 PolarHBondContact OD1-NZ 3.47Å; Y731-K733 PolarHBondContact O-N 3.16Å; K733-Y736 PolarHBondContact O-N 3.08Å; K733-A737 WeakPolarHBondContact O-CB 3.43Å; K733-A737 PolarHBondContact O-N 2.95Å
734	D	97.6	Very high	96.6	Very high	70 Å²	70	65.9 Å²	65.9	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-46.7	-178.1	-158.1	61.6	0	0	0	111.6	N730 Y731 F732 A737 K738	N730-D734 PolarHBondContact O-N 3.42Å; Y731-D734 PolarHBondContact O-N 3.24Å; F732-D734 VanDerWaalsContact C-N 3.31Å; F732-D734 PolarHBondContact O-N 3.34Å; D734-A737 PolarHBondContact O-N 3.31Å; D734-K738 WeakPolarHBondContact O-CB 3.33Å; D734-K738 WeakPolarHBondContact O-CG 3.3Å; D734-K738 PolarHBondContact O-N 2.66Å; D734-K738 WeakPolarHBondContact OD1-CE 3.45Å; D734-K738 IonicContact OD1-NZ 3.56Å; D734-K738 PolarHBondContact OD1-NZ 3.35Å; D734-K738 WeakPolarHBondContact OD2-CD 3.41Å; D734-K738 WeakPolarHBondContact OD2-CE 3.38Å; D734-K738 IonicContact OD2-NZ 2.87Å; D734-K738 PolarHBondContact OD2-NZ 3.31Å
735	L	97.6	Very high	96.6	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-49	172.2	-70.3	174	0	0	0	111.7	F651 L659 Y731 F732 A737 K738 D739 F742	F651-L735 HydrophobicContact CE2-CD1 3.87Å; F651-L735 HydrophobicContact CZ-CD1 4.06Å; F651-L735 HydrophobicContact CZ-CD2 4.25Å; L659-L735 HydrophobicContact CD1-CD1 4.33Å; Y731-L735 HydrophobicContact CD1-CD1 4.13Å; Y731-L735 HydrophobicContact CD2-CD1 4.39Å; Y731-L735 HydrophobicContact CD2-CG 4.25Å; Y731-L735 HydrophobicContact CE1-CD1 3.79Å; Y731-L735 HydrophobicContact CE2-CD1 4.06Å; Y731-L735 HydrophobicContact CE2-CD2 4.14Å; Y731-L735 HydrophobicContact CE2-CG 3.97Å; Y731-L735 HydrophobicContact CG-CD1 4.42Å; Y731-L735 WeakPolarHBondContact O-CG 3.41Å; Y731-L735 PolarHBondContact O-N 2.8Å; F732-L735 PolarHBondContact O-N 3.47Å; L735-A737 PolarHBondContact O-N 2.94Å; L735-K738 PolarHBondContact O-N 3.19Å; L735-D739 WeakPolarHBondContact O-CA 3.27Å; L735-D739 PolarHBondContact O-N 3.21Å; L735-F742 HydrophobicContact CB-CD1 3.56Å; L735-F742 HydrophobicContact CB-CD2 4.35Å; L735-F742 HydrophobicContact CB-CE1 3.71Å; L735-F742 HydrophobicContact CB-CE2 4.49Å; L735-F742 HydrophobicContact CB-CG 3.9Å; L735-F742 HydrophobicContact CB-CZ 4.2Å; L735-F742 HydrophobicContact CD1-CD2 4.18Å; L735-F742 HydrophobicContact CD1-CE1 4.42Å; L735-F742 HydrophobicContact CD1-CE2 3.93Å; L735-F742 HydrophobicContact CD1-CZ 4.05Å
736	Y	96.8	Very high	96.6	Very high	79 Å²	79	64.1 Å²	64.1	31%	0.31	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-23.8	-178.7	-168.5	-94	0	0	0	113.2	F732 K733 Q743 V746	F732-Y736 HydrophobicContact CE1-CG 4.48Å; F732-Y736 HydrophobicContact CE2-CD2 4.4Å; F732-Y736 HydrophobicContact CZ-CD2 4.02Å; F732-Y736 HydrophobicContact CZ-CG 4.14Å; F732-Y736 WeakPolarHBondContact O-CB 3.42Å; F732-Y736 PolarHBondContact O-N 3.39Å; K733-Y736 PolarHBondContact O-N 3.08Å; Y736-Q743 HydrophobicContact CD1-CG 4.24Å; Y736-Q743 HydrophobicContact CD2-CB 4.24Å; Y736-Q743 HydrophobicContact CD2-CG 3.79Å; Y736-Q743 HydrophobicContact CE1-CG 4Å; Y736-Q743 HydrophobicContact CE2-CB 4.31Å; Y736-Q743 HydrophobicContact CE2-CG 3.5Å; Y736-Q743 HydrophobicContact CG-CG 4.14Å; Y736-Q743 PolarHBondContact O-NE2 2.66Å; Y736-V746 HydrophobicContact CD2-CB 4.12Å; Y736-V746 HydrophobicContact CD2-CG1 4.09Å; Y736-V746 HydrophobicContact CD2-CG2 4.41Å; Y736-V746 HydrophobicContact CE2-CB 4Å; Y736-V746 HydrophobicContact CE2-CG1 3.81Å
737	A	97.7	Very high	96.6	Very high	78 Å²	78	66.3 Å²	66.3	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-85.7	-37.4	174.8	0	0	0	0	0	113.5	K733 D734 L735	K733-A737 WeakPolarHBondContact O-CB 3.43Å; K733-A737 PolarHBondContact O-N 2.95Å; D734-A737 PolarHBondContact O-N 3.31Å; L735-A737 PolarHBondContact O-N 2.94Å
738	K	97	Very high	96.4	Very high	150 Å²	150	68.1 Å²	68.1	65%	0.652	33%	0.327	S	S	*	.	H	α-helix	trans	-99.1	-42.8	-172.2	-65.7	173.8	-179.3	165	0	114	D734 L735	D734-K738 WeakPolarHBondContact O-CB 3.33Å; D734-K738 WeakPolarHBondContact O-CG 3.3Å; D734-K738 PolarHBondContact O-N 2.66Å; D734-K738 WeakPolarHBondContact OD1-CE 3.45Å; D734-K738 IonicContact OD1-NZ 3.56Å; D734-K738 PolarHBondContact OD1-NZ 3.35Å; D734-K738 WeakPolarHBondContact OD2-CD 3.41Å; D734-K738 WeakPolarHBondContact OD2-CE 3.38Å; D734-K738 IonicContact OD2-NZ 2.87Å; D734-K738 PolarHBondContact OD2-NZ 3.31Å; L735-K738 PolarHBondContact O-N 3.19Å
739	D	97.3	Very high	96	Very high	43 Å²	43	68.9 Å²	68.9	23%	0.23	33%	0.33	C	S	.	.			trans	-93.4	112.6	-176.5	-169.9	-34.9	0	0	0	110.9	L735 R741 F742 Q743	L735-D739 WeakPolarHBondContact O-CA 3.27Å; L735-D739 PolarHBondContact O-N 3.21Å; D739-R741 WeakPolarHBondContact OD1-CA 3.49Å; D739-R741 VanDerWaalsContact OD1-CB 3.31Å; D739-R741 WeakPolarHBondContact OD1-CB 3.38Å; D739-R741 PolarHBondContact OD1-N 3.23Å; D739-F742 HydrophobicContact CB-CB 3.92Å; D739-F742 PolarHBondContact OD1-N 3.38Å; D739-Q743 WeakPolarHBondContact O-CB 3.45Å; D739-Q743 PolarHBondContact O-N 3.07Å
740	K	97.3	Very high	95.5	Very high	180 Å²	180	71 Å²	71	78%	0.783	34%	0.34	S	S	*	.	H	α-helix	trans	-68.5	-30.4	178.7	-66	-179	-179.1	176.1	0	113.3	A744	K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.26Å; K740-A744 PolarHBondContact O-N 3.45Å
741	R	97.5	Very high	94.8	Very high	170 Å²	170	71.6 Å²	71.6	64%	0.642	35%	0.351	S	S	*	.	H	α-helix	trans	-71.1	-47.6	176.1	-61.5	-175.8	-65.7	178.2	1.9	109.9	L649 D739 Q743 A744 F745	L649-R741 HydrophobicContact CD2-CB 3.85Å; D739-R741 WeakPolarHBondContact OD1-CA 3.49Å; D739-R741 VanDerWaalsContact OD1-CB 3.31Å; D739-R741 WeakPolarHBondContact OD1-CB 3.38Å; D739-R741 PolarHBondContact OD1-N 3.23Å; R741-Q743 VanDerWaalsContact C-N 3.32Å; R741-Q743 PolarHBondContact O-N 3.47Å; R741-A744 PolarHBondContact O-N 3.43Å; R741-A744 VanDerWaalsContact O-N 3.15Å; R741-F745 WeakPolarHBondContact O-CB 3.47Å; R741-F745 PolarHBondContact O-N 2.87Å
742	F	97.8	Very high	94	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.5	-44.5	173.1	-174.7	-93.3	0	0	0	111.5	M645 L649 F651 L659 F732 L735 D739 A744 F745 V746 I760	M645-F742 HydrophobicContact CE-CE2 4.04Å; M645-F742 HydrophobicContact CE-CZ 4.42Å; M645-F742 HydrophobicContact CG-CE2 4.35Å; M645-F742 HydrophobicContact SD-CE2 3.94Å; L649-F742 HydrophobicContact CD1-CB 4.18Å; L649-F742 HydrophobicContact CD1-CD2 3.64Å; L649-F742 HydrophobicContact CD1-CG 4.33Å; F651-F742 AromaticContact CE2-CD2 3.94Å; F651-F742 HydrophobicContact CE2-CD2 3.94Å; F651-F742 AromaticContact CE2-CE2 4Å; F651-F742 HydrophobicContact CE2-CE2 4Å; F651-F742 AromaticContact CZ-CD2 3.67Å; F651-F742 HydrophobicContact CZ-CD2 3.67Å; F651-F742 HydrophobicContact CZ-CE2 4.2Å; L659-F742 HydrophobicContact CD1-CE2 4.24Å; L659-F742 HydrophobicContact CD1-CZ 4.28Å; F732-F742 AromaticContact CD2-CE1 3.77Å; F732-F742 HydrophobicContact CD2-CE1 3.77Å; F732-F742 AromaticContact CD2-CZ 3.84Å; F732-F742 HydrophobicContact CD2-CZ 3.84Å; F732-F742 AromaticContact CE2-CE1 3.85Å; F732-F742 HydrophobicContact CE2-CE1 3.85Å; F732-F742 HydrophobicContact CE2-CZ 4.17Å; L735-F742 HydrophobicContact CB-CD1 3.56Å; L735-F742 HydrophobicContact CB-CD2 4.35Å; L735-F742 HydrophobicContact CB-CE1 3.71Å; L735-F742 HydrophobicContact CB-CE2 4.49Å; L735-F742 HydrophobicContact CB-CG 3.9Å; L735-F742 HydrophobicContact CB-CZ 4.2Å; L735-F742 HydrophobicContact CD1-CD2 4.18Å; L735-F742 HydrophobicContact CD1-CE1 4.42Å; L735-F742 HydrophobicContact CD1-CE2 3.93Å; L735-F742 HydrophobicContact CD1-CZ 4.05Å; D739-F742 HydrophobicContact CB-CB 3.92Å; D739-F742 PolarHBondContact OD1-N 3.38Å; F742-A744 VanDerWaalsContact C-N 3.33Å; F742-A744 PolarHBondContact O-N 2.69Å; F742-F745 PolarHBondContact O-N 2.85Å; F742-V746 HydrophobicContact CD1-CG2 4.03Å; F742-V746 HydrophobicContact CE1-CG2 3.69Å; F742-V746 HydrophobicContact CE2-CG2 4.41Å; F742-V746 HydrophobicContact CZ-CG2 3.89Å; F742-V746 WeakPolarHBondContact O-CG2 3.29Å; F742-V746 PolarHBondContact O-N 3.41Å; F742-I760 HydrophobicContact CZ-CD1 4.32Å
743	Q	96.6	Very high	92.8	Very high	57 Å²	57	73.4 Å²	73.4	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-37.4	176.4	-161.9	-168.2	103.5	0	0	112.8	Y736 D739 R741 K747	Y736-Q743 HydrophobicContact CD1-CG 4.24Å; Y736-Q743 HydrophobicContact CD2-CB 4.24Å; Y736-Q743 HydrophobicContact CD2-CG 3.79Å; Y736-Q743 HydrophobicContact CE1-CG 4Å; Y736-Q743 HydrophobicContact CE2-CB 4.31Å; Y736-Q743 HydrophobicContact CE2-CG 3.5Å; Y736-Q743 HydrophobicContact CG-CG 4.14Å; Y736-Q743 PolarHBondContact O-NE2 2.66Å; D739-Q743 WeakPolarHBondContact O-CB 3.45Å; D739-Q743 PolarHBondContact O-N 3.07Å; R741-Q743 VanDerWaalsContact C-N 3.32Å; R741-Q743 PolarHBondContact O-N 3.47Å; Q743-K747 WeakPolarHBondContact O-CD 3.43Å; Q743-K747 VanDerWaalsContact O-CG 3.27Å; Q743-K747 WeakPolarHBondContact O-CG 3.42Å; Q743-K747 PolarHBondContact O-N 3.07Å
744	A	95.4	Very high	91.8	Very high	57 Å²	57	68.4 Å²	68.4	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-44.9	176.5	0	0	0	0	0	112.2	K740 R741 F742 K747 K748	K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.26Å; K740-A744 PolarHBondContact O-N 3.45Å; R741-A744 PolarHBondContact O-N 3.43Å; R741-A744 VanDerWaalsContact O-N 3.15Å; F742-A744 VanDerWaalsContact C-N 3.33Å; F742-A744 PolarHBondContact O-N 2.69Å; A744-K747 WeakPolarHBondContact O-CB 3.27Å; A744-K747 PolarHBondContact O-N 3.22Å; A744-K747 VanDerWaalsContact O-N 3.16Å; A744-K748 PolarHBondContact O-N 3.24Å
745	F	95.8	Very high	90.7	Very high	9 Å²	9	65.1 Å²	65.1	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-51.7	173.7	166.5	-95.7	0	0	0	111.7	Y641 G644 M645 D648 L649 R741 F742 K747 K748 K749	Y641-F745 HydrophobicContact CD1-CE1 4.47Å; G644-F745 VanDerWaalsContact C-CZ 3.41Å; G644-F745 WeakPolarHBondContact O-CE2 3.48Å; M645-F745 HydrophobicContact CE-CE1 4.2Å; M645-F745 HydrophobicContact CG-CD1 4.38Å; M645-F745 HydrophobicContact CG-CE1 3.66Å; M645-F745 HydrophobicContact CG-CZ 4.02Å; D648-F745 HydrophobicContact CB-CD2 3.85Å; D648-F745 HydrophobicContact CB-CE2 4.11Å; D648-F745 VanDerWaalsContact OD2-CD2 3.3Å; D648-F745 WeakPolarHBondContact OD2-CD2 3.48Å; D648-F745 VanDerWaalsContact OD2-CE2 3.29Å; D648-F745 WeakPolarHBondContact OD2-CE2 3.33Å; L649-F745 HydrophobicContact CD1-CB 3.94Å; L649-F745 HydrophobicContact CD1-CD1 3.87Å; L649-F745 HydrophobicContact CD1-CD2 4.49Å; L649-F745 HydrophobicContact CD1-CG 3.85Å; L649-F745 HydrophobicContact CD2-CB 4.03Å; L649-F745 HydrophobicContact CG-CB 4.2Å; L649-F745 HydrophobicContact CG-CD2 4.41Å; L649-F745 HydrophobicContact CG-CG 4.17Å; R741-F745 WeakPolarHBondContact O-CB 3.47Å; R741-F745 PolarHBondContact O-N 2.87Å; F742-F745 PolarHBondContact O-N 2.85Å; F745-K747 VanDerWaalsContact C-N 3.25Å; F745-K747 PolarHBondContact O-N 2.9Å; F745-K748 PolarHBondContact O-N 3.02Å; F745-K748 VanDerWaalsContact O-N 3.09Å; F745-K749 HydrophobicContact CD2-CG 4.14Å; F745-K749 HydrophobicContact CE1-CG 4.23Å; F745-K749 HydrophobicContact CE2-CD 4.19Å; F745-K749 VanDerWaalsContact CE2-CE 3.41Å; F745-K749 HydrophobicContact CE2-CG 3.72Å; F745-K749 HydrophobicContact CZ-CG 3.76Å; F745-K749 PolarHBondContact O-N 2.9Å
746	V	94.3	Very high	89.7	Confident	8 Å²	8	66.1 Å²	66.1	5%	0.048	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-38.5	178.2	172.3	0	0	0	0	110.9	F732 Y736 F742 M750 I760	F732-V746 HydrophobicContact CE2-CG1 4.25Å; F732-V746 HydrophobicContact CE2-CG2 4.14Å; F732-V746 HydrophobicContact CZ-CG1 4.39Å; Y736-V746 HydrophobicContact CD2-CB 4.12Å; Y736-V746 HydrophobicContact CD2-CG1 4.09Å; Y736-V746 HydrophobicContact CD2-CG2 4.41Å; Y736-V746 HydrophobicContact CE2-CB 4Å; Y736-V746 HydrophobicContact CE2-CG1 3.81Å; F742-V746 HydrophobicContact CD1-CG2 4.03Å; F742-V746 HydrophobicContact CE1-CG2 3.69Å; F742-V746 HydrophobicContact CE2-CG2 4.41Å; F742-V746 HydrophobicContact CZ-CG2 3.89Å; F742-V746 WeakPolarHBondContact O-CG2 3.29Å; F742-V746 PolarHBondContact O-N 3.41Å; V746-M750 HydrophobicContact CG1-CG 4.28Å; V746-M750 VanDerWaalsContact O-CB 3.23Å; V746-M750 WeakPolarHBondContact O-CB 3.28Å; V746-M750 WeakPolarHBondContact O-CG 3.22Å; V746-M750 PolarHBondContact O-N 2.8Å; V746-I760 HydrophobicContact CG2-CD1 4Å
747	K	91.8	Very high	88.9	Confident	103 Å²	103	71.4 Å²	71.4	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-45	174	-72.5	167.9	-174.4	170	0	112.5	Q743 A744 F745 M750 S751	Q743-K747 WeakPolarHBondContact O-CD 3.43Å; Q743-K747 VanDerWaalsContact O-CG 3.27Å; Q743-K747 WeakPolarHBondContact O-CG 3.42Å; Q743-K747 PolarHBondContact O-N 3.07Å; A744-K747 WeakPolarHBondContact O-CB 3.27Å; A744-K747 PolarHBondContact O-N 3.22Å; A744-K747 VanDerWaalsContact O-N 3.16Å; F745-K747 VanDerWaalsContact C-N 3.25Å; F745-K747 PolarHBondContact O-N 2.9Å; K747-M750 PolarHBondContact O-N 3.06Å; K747-S751 PolarHBondContact O-N 3.09Å; K747-S751 PolarHBondContact O-OG 2.87Å
748	K	91.1	Very high	88.2	Confident	119 Å²	119	68.1 Å²	68.1	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-51.4	177	-175.4	-176.4	176.9	-174.1	0	110.9	A744 F745 M750 S751	A744-K748 PolarHBondContact O-N 3.24Å; F745-K748 PolarHBondContact O-N 3.02Å; F745-K748 VanDerWaalsContact O-N 3.09Å; K748-M750 VanDerWaalsContact C-N 3.31Å; K748-M750 PolarHBondContact O-N 2.82Å; K748-S751 PolarHBondContact O-N 3.19Å; K748-S751 VanDerWaalsContact O-N 3.12Å; K748-S751 PolarHBondContact O-OG 2.84Å
749	K	88.3	Confident	87.9	Confident	16 Å²	16	61.2 Å²	61.2	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-31.3	179	-60.1	-58.1	-171.3	179.9	0	112.5	E578 V640 Y641 D648 F745 S751 S752 V755	E578-K749 WeakPolarHBondContact OE1-CD 3.38Å; E578-K749 WeakPolarHBondContact OE1-CE 3.45Å; E578-K749 IonicContact OE1-NZ 3.66Å; E578-K749 PolarHBondContact OE1-NZ 3.35Å; V640-K749 HydrophobicContact CG1-CB 4.43Å; V640-K749 HydrophobicContact CG1-CD 4.04Å; V640-K749 HydrophobicContact CG1-CG 4.46Å; Y641-K749 HydrophobicContact CD1-CB 4.39Å; Y641-K749 HydrophobicContact CE1-CB 3.82Å; D648-K749 IonicContact OD2-NZ 3.78Å; F745-K749 HydrophobicContact CD2-CG 4.14Å; F745-K749 HydrophobicContact CE1-CG 4.23Å; F745-K749 HydrophobicContact CE2-CD 4.19Å; F745-K749 VanDerWaalsContact CE2-CE 3.41Å; F745-K749 HydrophobicContact CE2-CG 3.72Å; F745-K749 HydrophobicContact CZ-CG 3.76Å; F745-K749 PolarHBondContact O-N 2.9Å; K749-S751 VanDerWaalsContact C-N 3.26Å; K749-S751 PolarHBondContact O-N 3.02Å; K749-S752 WeakPolarHBondContact O-CB 3.13Å; K749-S752 PolarHBondContact O-N 3.2Å; K749-S752 VanDerWaalsContact O-N 3.13Å; K749-V755 WeakPolarHBondContact O-CG2 3.48Å
750	M	86.3	Confident	87.8	Confident	62 Å²	62	59.2 Å²	59.2	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-71.7	-12.7	173.9	-74.6	-68.4	-72.9	0	0	115	Y641 V746 K747 K748 V755 R757 G759	Y641-M750 PolarHBondContact OH-SD 3.46Å; Y641-M750 VanDerWaalsContact OH-SD 3.35Å; V746-M750 HydrophobicContact CG1-CG 4.28Å; V746-M750 VanDerWaalsContact O-CB 3.23Å; V746-M750 WeakPolarHBondContact O-CB 3.28Å; V746-M750 WeakPolarHBondContact O-CG 3.22Å; V746-M750 PolarHBondContact O-N 2.8Å; K747-M750 PolarHBondContact O-N 3.06Å; K748-M750 VanDerWaalsContact C-N 3.31Å; K748-M750 PolarHBondContact O-N 2.82Å; M750-V755 HydrophobicContact SD-CG2 4.41Å; M750-R757 WeakPolarHBondContact CE-O 3.5Å; M750-G759 VanDerWaalsContact SD-CA 3.58Å
751	S	82.1	Confident	87.8	Confident	98 Å²	98	52 Å²	52	69%	0.685	26%	0.26	S	S	*	.	H	α-helix	trans	-86.7	-16.7	166.9	23.8	0	0	0	0	113.9	K747 K748 K749	K747-S751 PolarHBondContact O-N 3.09Å; K747-S751 PolarHBondContact O-OG 2.87Å; K748-S751 PolarHBondContact O-N 3.19Å; K748-S751 VanDerWaalsContact O-N 3.12Å; K748-S751 PolarHBondContact O-OG 2.84Å; K749-S751 VanDerWaalsContact C-N 3.26Å; K749-S751 PolarHBondContact O-N 3.02Å
752	S	79.3	Confident	87.6	Confident	30 Å²	30	48.6 Å²	48.6	21%	0.21	25%	0.252	C	S	.	.	S	Bend	trans	-65.3	143.6	176.8	-175.9	0	0	0	0	111.2	E578 K749 V754	E578-S752 WeakPolarHBondContact OE2-CB 3.5Å; E578-S752 PolarHBondContact OE2-OG 3Å; K749-S752 WeakPolarHBondContact O-CB 3.13Å; K749-S752 PolarHBondContact O-N 3.2Å; K749-S752 VanDerWaalsContact O-N 3.13Å; S752-V754 VanDerWaalsContact C-N 3.32Å; S752-V754 WeakPolarHBondContact OG-CG1 3.44Å
753	S	74.4	Confident	87.5	Confident	85 Å²	85	48.6 Å²	48.6	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.7	178.8	60.1	0	0	0	0	111.7	V755 R756	S753-V755 VanDerWaalsContact C-N 3.28Å; S753-V755 PolarHBondContact O-N 3.04Å; S753-R756 PolarHBondContact O-N 3.39Å
754	V	75.5	Confident	87.5	Confident	2 Å²	2	46 Å²	46	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.7	-171.2	76.4	0	0	0	0	112.9	E578 L581 L582 F585 I636 V640 S752 R756	E578-V754 WeakPolarHBondContact OE2-CG1 3.41Å; L581-V754 HydrophobicContact CD2-CG2 4.32Å; L582-V754 HydrophobicContact CB-CG2 4.47Å; L582-V754 HydrophobicContact CD1-CG2 4.3Å; F585-V754 HydrophobicContact CD2-CG2 3.89Å; F585-V754 HydrophobicContact CE2-CG2 3.75Å; I636-V754 WeakPolarHBondContact CD1-O 3.22Å; V640-V754 HydrophobicContact CG1-CG1 4.29Å; V640-V754 HydrophobicContact CG2-CG1 3.74Å; S752-V754 VanDerWaalsContact C-N 3.32Å; S752-V754 WeakPolarHBondContact OG-CG1 3.44Å; V754-R756 VanDerWaalsContact C-N 3.3Å; V754-R756 PolarHBondContact O-N 3.04Å
755	V	75.4	Confident	87.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.5	-177	-50.7	0	0	0	0	113.5	I636 V640 Y641 K749 M750 S753 R757 L758	I636-V755 HydrophobicContact CG2-CB 4.34Å; I636-V755 HydrophobicContact CG2-CG1 3.95Å; V640-V755 HydrophobicContact CB-CG1 4.43Å; V640-V755 HydrophobicContact CG1-CG1 3.79Å; Y641-V755 HydrophobicContact CE2-CG1 4.18Å; K749-V755 WeakPolarHBondContact O-CG2 3.48Å; M750-V755 HydrophobicContact SD-CG2 4.41Å; S753-V755 VanDerWaalsContact C-N 3.28Å; S753-V755 PolarHBondContact O-N 3.04Å; V755-R757 PolarHBondContact O-N 3.3Å; V755-L758 WeakPolarHBondContact O-CB 3.4Å; V755-L758 WeakPolarHBondContact O-CG 3.44Å; V755-L758 PolarHBondContact O-N 3.36Å
756	R	76.8	Confident	87.5	Confident	43 Å²	43	47.6 Å²	47.6	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	29.5	-177.4	-68.1	171.6	-71	145.3	8.8	114	N555 S753 V754 L758	N555-R756 PolarHBondContact OD1-NH1 3.05Å; S753-R756 PolarHBondContact O-N 3.39Å; V754-R756 VanDerWaalsContact C-N 3.3Å; V754-R756 PolarHBondContact O-N 3.04Å; R756-L758 VanDerWaalsContact C-N 3.27Å; R756-L758 PolarHBondContact O-N 3.13Å
757	R	79.1	Confident	87.7	Confident	190 Å²	190	47.2 Å²	47.2	72%	0.717	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	25.9	-174.3	-48.8	178.4	-176.6	-169.1	-0.3	114.7	M750 V755	M750-R757 WeakPolarHBondContact CE-O 3.5Å; V755-R757 PolarHBondContact O-N 3.3Å
758	L	83.5	Confident	87.9	Confident	9 Å²	9	42.6 Å²	42.6	5%	0.047	22%	0.219	C	C	.	.			trans	-84.5	112.4	170.6	-55.8	178.1	0	0	0	109.6	L554 Y641 V755 R756 L766	L554-L758 HydrophobicContact CB-CD2 4.46Å; L554-L758 HydrophobicContact CD1-CD2 3.87Å; L554-L758 HydrophobicContact CD2-CD2 3.95Å; L554-L758 HydrophobicContact CG-CD2 4.3Å; Y641-L758 PolarHBondContact OH-O 2.71Å; V755-L758 WeakPolarHBondContact O-CB 3.4Å; V755-L758 WeakPolarHBondContact O-CG 3.44Å; V755-L758 PolarHBondContact O-N 3.36Å; R756-L758 VanDerWaalsContact C-N 3.27Å; R756-L758 PolarHBondContact O-N 3.13Å; L758-L766 HydrophobicContact CD1-CD1 4.09Å; L758-L766 HydrophobicContact CD2-CD1 4.43Å
759	G	91.2	Very high	88.1	Confident	5 Å²	5	39.1 Å²	39.1	5%	0.052	20%	0.204	C	C	.	.			trans	-75.8	169.6	177	0	0	0	0	0	113.5	M750 E762 C763	M750-G759 VanDerWaalsContact SD-CA 3.58Å; G759-E762 VanDerWaalsContact C-OE2 3.25Å; G759-E762 WeakPolarHBondContact CA-OE2 3.44Å; G759-E762 PolarHBondContact N-OE2 3.21Å; G759-E762 WeakPolarHBondContact O-CB 3.26Å; G759-E762 PolarHBondContact O-N 3.48Å; G759-E762 VanDerWaalsContact O-N 3.13Å; G759-C763 PolarHBondContact O-N 3.28Å; G759-C763 PolarHBondContact O-SG 2.83Å
760	I	95.4	Very high	88.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-47.5	-179.9	-69.2	173.3	0	0	0	112.2	Y641 M645 F660 F732 F742 V746 E762 C763 I764	Y641-I760 HydrophobicContact CD1-CD1 3.81Å; Y641-I760 HydrophobicContact CD1-CG1 3.78Å; Y641-I760 HydrophobicContact CD2-CG1 4.09Å; Y641-I760 HydrophobicContact CE1-CD1 4.19Å; Y641-I760 HydrophobicContact CE1-CG1 3.93Å; Y641-I760 HydrophobicContact CE2-CG1 4.22Å; Y641-I760 HydrophobicContact CG-CD1 4.2Å; Y641-I760 HydrophobicContact CG-CG1 3.88Å; M645-I760 HydrophobicContact CE-CD1 3.42Å; M645-I760 VanDerWaalsContact CE-CD1 3.42Å; F660-I760 HydrophobicContact CE1-CG2 3.84Å; F660-I760 HydrophobicContact CZ-CB 4.49Å; F660-I760 HydrophobicContact CZ-CG1 4.13Å; F660-I760 HydrophobicContact CZ-CG2 3.86Å; F732-I760 HydrophobicContact CB-CG2 4.48Å; F732-I760 HydrophobicContact CD2-CB 3.79Å; F732-I760 HydrophobicContact CD2-CD1 4.07Å; F732-I760 HydrophobicContact CD2-CG2 3.64Å; F732-I760 HydrophobicContact CE2-CB 3.81Å; F732-I760 HydrophobicContact CE2-CD1 3.95Å; F732-I760 HydrophobicContact CE2-CG1 4.35Å; F732-I760 HydrophobicContact CE2-CG2 4.21Å; F732-I760 HydrophobicContact CG-CG2 4.18Å; F742-I760 HydrophobicContact CZ-CD1 4.32Å; V746-I760 HydrophobicContact CG2-CD1 4Å; I760-E762 VanDerWaalsContact C-N 3.35Å; I760-E762 PolarHBondContact O-N 2.82Å; I760-C763 PolarHBondContact O-N 3.03Å; I760-I764 HydrophobicContact CG2-CD1 3.92Å; I760-I764 WeakPolarHBondContact O-CD1 3.35Å; I760-I764 VanDerWaalsContact O-CG1 3.3Å; I760-I764 WeakPolarHBondContact O-CG1 3.47Å; I760-I764 PolarHBondContact O-N 2.63Å
761	P	95.7	Very high	89	Confident	28 Å²	28	35.9 Å²	35.9	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-38.5	174.3	-23.8	35.5	0	0	0	113.6	F732 I764 L765	F732-P761 HydrophobicContact CD1-CG 3.44Å; F732-P761 VanDerWaalsContact CD1-CG 3.44Å; F732-P761 HydrophobicContact CE1-CG 3.45Å; F732-P761 VanDerWaalsContact CE1-CG 3.45Å; F732-P761 HydrophobicContact CG-CG 4.1Å; F732-P761 HydrophobicContact CZ-CG 4.12Å; P761-I764 PolarHBondContact O-N 3.33Å; P761-L765 WeakPolarHBondContact O-CB 3.48Å; P761-L765 PolarHBondContact O-N 2.93Å
762	E	93.8	Very high	89.7	Confident	99 Å²	99	31.4 Å²	31.4	46%	0.463	16%	0.157	S	C	.	.	H	α-helix	trans	-65.4	-43.1	179.6	-67.6	66.5	-149.7	0	0	111	G759 I760 L765 L766	G759-E762 VanDerWaalsContact C-OE2 3.25Å; G759-E762 WeakPolarHBondContact CA-OE2 3.44Å; G759-E762 PolarHBondContact N-OE2 3.21Å; G759-E762 WeakPolarHBondContact O-CB 3.26Å; G759-E762 PolarHBondContact O-N 3.48Å; G759-E762 VanDerWaalsContact O-N 3.13Å; I760-E762 VanDerWaalsContact C-N 3.35Å; I760-E762 PolarHBondContact O-N 2.82Å; E762-L765 PolarHBondContact O-N 3.28Å; E762-L766 VanDerWaalsContact O-CG 3.32Å; E762-L766 WeakPolarHBondContact O-CG 3.21Å; E762-L766 PolarHBondContact O-N 3.43Å
763	C	96.1	Very high	90.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-45.7	173.9	-70.7	0	0	0	0	112.2	T633 M637 G759 I760 L765 L766 V767	T633-C763 HydrophobicContact CG2-CB 4.23Å; M637-C763 HydrophobicContact CG-CB 3.74Å; M637-C763 HydrophobicContact SD-CB 3.79Å; G759-C763 PolarHBondContact O-N 3.28Å; G759-C763 PolarHBondContact O-SG 2.83Å; I760-C763 PolarHBondContact O-N 3.03Å; C763-L765 VanDerWaalsContact C-N 3.27Å; C763-L765 PolarHBondContact O-N 2.93Å; C763-L766 PolarHBondContact O-N 3Å; C763-V767 WeakPolarHBondContact O-CG2 3.32Å; C763-V767 PolarHBondContact O-N 3.25Å
764	I	96.4	Very high	91.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-40.8	175.2	-67.5	163.6	0	0	0	110.8	M637 L659 F660 F721 V729 I760 P761 T768	M637-I764 HydrophobicContact CE-CG1 4.42Å; L659-I764 WeakPolarHBondContact O-CD1 3.46Å; F660-I764 HydrophobicContact CD1-CD1 4.29Å; F660-I764 HydrophobicContact CD1-CG1 4.03Å; F660-I764 HydrophobicContact CE1-CD1 4.1Å; F660-I764 HydrophobicContact CE1-CG1 3.97Å; F721-I764 HydrophobicContact CE1-CG2 4.03Å; F721-I764 HydrophobicContact CZ-CB 4.42Å; F721-I764 HydrophobicContact CZ-CG1 4.43Å; F721-I764 HydrophobicContact CZ-CG2 4.1Å; V729-I764 HydrophobicContact CG2-CD1 4.44Å; V729-I764 HydrophobicContact CG2-CG2 4.06Å; I760-I764 HydrophobicContact CG2-CD1 3.92Å; I760-I764 WeakPolarHBondContact O-CD1 3.35Å; I760-I764 VanDerWaalsContact O-CG1 3.3Å; I760-I764 WeakPolarHBondContact O-CG1 3.47Å; I760-I764 PolarHBondContact O-N 2.63Å; P761-I764 PolarHBondContact O-N 3.33Å; I764-T768 WeakPolarHBondContact O-CB 3.39Å; I764-T768 PolarHBondContact O-N 2.93Å; I764-T768 VanDerWaalsContact O-N 3.1Å; I764-T768 PolarHBondContact O-OG1 2.85Å
765	L	95.4	Very high	92.8	Very high	70 Å²	70	28.7 Å²	28.7	37%	0.366	13%	0.131	S	C	.	.	H	α-helix	trans	-68.7	-41.1	176.7	-177.8	61.2	0	0	0	112.9	P761 E762 C763 T768 Q769	P761-L765 WeakPolarHBondContact O-CB 3.48Å; P761-L765 PolarHBondContact O-N 2.93Å; E762-L765 PolarHBondContact O-N 3.28Å; C763-L765 VanDerWaalsContact C-N 3.27Å; C763-L765 PolarHBondContact O-N 2.93Å; L765-T768 WeakPolarHBondContact O-CB 3.45Å; L765-T768 PolarHBondContact O-N 3.41Å; L765-Q769 HydrophobicContact CD1-CG 4.3Å; L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 WeakPolarHBondContact O-CG 3.42Å; L765-Q769 PolarHBondContact O-N 3.08Å
766	L	95.9	Very high	93.8	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-46.5	176.5	-76.8	168.7	0	0	0	111.6	T551 L554 T633 L758 E762 C763 Q769 R770	T551-L766 HydrophobicContact CG2-CD2 4.37Å; L554-L766 HydrophobicContact CD1-CD1 4.42Å; L554-L766 HydrophobicContact CD1-CD2 4.43Å; T633-L766 HydrophobicContact CG2-CB 4.49Å; T633-L766 HydrophobicContact CG2-CD1 4.34Å; L758-L766 HydrophobicContact CD1-CD1 4.09Å; L758-L766 HydrophobicContact CD2-CD1 4.43Å; E762-L766 VanDerWaalsContact O-CG 3.32Å; E762-L766 WeakPolarHBondContact O-CG 3.21Å; E762-L766 PolarHBondContact O-N 3.43Å; C763-L766 PolarHBondContact O-N 3Å; L766-Q769 PolarHBondContact O-N 3.44Å; L766-R770 PolarHBondContact O-N 2.8Å
767	V	97.8	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-51	175.2	172.8	0	0	0	0	110.6	L634 M637 L666 Y718 F721 C763 Q769 R770	L634-V767 HydrophobicContact CD2-CG1 4.32Å; L634-V767 HydrophobicContact CD2-CG2 3.55Å; L634-V767 HydrophobicContact CG-CG2 4.33Å; M637-V767 HydrophobicContact CE-CG2 4.16Å; M637-V767 HydrophobicContact SD-CG2 3.66Å; L666-V767 HydrophobicContact CD1-CG1 3.84Å; Y718-V767 HydrophobicContact CE1-CG1 4.29Å; Y718-V767 WeakPolarHBondContact CE1-O 3.42Å; F721-V767 HydrophobicContact CD1-CG1 3.95Å; F721-V767 HydrophobicContact CD2-CG1 4.38Å; F721-V767 HydrophobicContact CE1-CB 3.84Å; F721-V767 HydrophobicContact CE1-CG1 3.57Å; F721-V767 HydrophobicContact CE2-CG1 4.05Å; F721-V767 HydrophobicContact CG-CG1 4.36Å; F721-V767 HydrophobicContact CZ-CB 3.82Å; F721-V767 HydrophobicContact CZ-CG1 3.64Å; F721-V767 HydrophobicContact CZ-CG2 4.42Å; C763-V767 WeakPolarHBondContact O-CG2 3.32Å; C763-V767 PolarHBondContact O-N 3.25Å; V767-Q769 PolarHBondContact O-N 3.15Å; V767-R770 PolarHBondContact O-N 3.41Å; V767-R770 VanDerWaalsContact O-N 3.11Å
768	T	96.2	Very high	95.8	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.043	11%	0.109	C	C	.	.	H	α-helix	trans	-53.7	-38.9	176.9	-53.5	0	0	0	0	111.8	H725 I764 L765	H725-T768 PolarHBondContact ND1-OG1 2.89Å; I764-T768 WeakPolarHBondContact O-CB 3.39Å; I764-T768 PolarHBondContact O-N 2.93Å; I764-T768 VanDerWaalsContact O-N 3.1Å; I764-T768 PolarHBondContact O-OG1 2.85Å; L765-T768 WeakPolarHBondContact O-CB 3.45Å; L765-T768 PolarHBondContact O-N 3.41Å
769	Q	95.4	Very high	96.5	Very high	45 Å²	45	24.9 Å²	24.9	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-76.9	-28	-179.8	-74.9	-173.4	28.6	0	0	114.4	L765 L766 V767 I771 T772	L765-Q769 HydrophobicContact CD1-CG 4.3Å; L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 WeakPolarHBondContact O-CG 3.42Å; L765-Q769 PolarHBondContact O-N 3.08Å; L766-Q769 PolarHBondContact O-N 3.44Å; V767-Q769 PolarHBondContact O-N 3.15Å; Q769-I771 VanDerWaalsContact C-N 3.32Å; Q769-I771 PolarHBondContact O-N 2.76Å; Q769-T772 PolarHBondContact O-N 3.11Å; Q769-T772 VanDerWaalsContact O-N 3.11Å; Q769-T772 PolarHBondContact O-OG1 3.12Å
770	R	98	Very high	96.8	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-54.6	-45.8	-171.2	178.5	64.7	-179	164.8	-1	112.5	L623 T626 E627 H630 L766 V767 T772 K773 Y774	L623-R770 PolarHBondContact O-NH2 2.79Å; T626-R770 PolarHBondContact OG1-NH1 3.31Å; T626-R770 PolarHBondContact OG1-NH2 3.08Å; E627-R770 VanDerWaalsContact N-NH2 3.17Å; E627-R770 IonicContact OE2-CZ 2.63Å; E627-R770 IonicContact OE2-NE 3.89Å; E627-R770 PolarHBondContact OE2-NE 2.89Å; E627-R770 IonicContact OE2-NH2 2.94Å; E627-R770 PolarHBondContact OE2-NH2 2.87Å; H630-R770 HydrophobicContact CB-CG 4.31Å; L766-R770 PolarHBondContact O-N 2.8Å; V767-R770 PolarHBondContact O-N 3.41Å; V767-R770 VanDerWaalsContact O-N 3.11Å; R770-T772 PolarHBondContact O-N 2.89Å; R770-T772 VanDerWaalsContact O-N 3.16Å; R770-K773 WeakPolarHBondContact O-CB 3.23Å; R770-K773 PolarHBondContact O-N 2.81Å; R770-Y774 HydrophobicContact CG-CE2 4.03Å; R770-Y774 WeakPolarHBondContact CG-OH 3.3Å; R770-Y774 PolarHBondContact NE-OH 3.24Å
771	I	96.1	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.1	-177.1	-158.3	176.5	0	0	0	112.5	L25 Y718 Q769 K773 Y774 V805 I806 V809	L25-I771 HydrophobicContact CD2-CG2 4.34Å; Y718-I771 HydrophobicContact CD1-CB 4.27Å; Y718-I771 HydrophobicContact CD1-CD1 4.26Å; Y718-I771 HydrophobicContact CD1-CG2 4.36Å; Y718-I771 HydrophobicContact CD2-CD1 3.81Å; Y718-I771 HydrophobicContact CD2-CG1 4.46Å; Y718-I771 HydrophobicContact CE1-CB 4Å; Y718-I771 HydrophobicContact CE1-CG2 4.34Å; Y718-I771 HydrophobicContact CE2-CB 4.33Å; Y718-I771 HydrophobicContact CE2-CD1 4.28Å; Y718-I771 HydrophobicContact CE2-CG1 4.45Å; Y718-I771 HydrophobicContact CG-CD1 3.78Å; Q769-I771 VanDerWaalsContact C-N 3.32Å; Q769-I771 PolarHBondContact O-N 2.76Å; I771-K773 VanDerWaalsContact C-N 3.27Å; I771-K773 PolarHBondContact O-N 3.11Å; I771-Y774 WeakPolarHBondContact O-CD2 3.21Å; I771-V805 HydrophobicContact CD1-CG1 3.96Å; I771-I806 HydrophobicContact CD1-CG1 4.24Å; I771-I806 HydrophobicContact CG1-CG1 3.97Å; I771-V809 HydrophobicContact CD1-CG2 4.02Å
772	T	96.4	Very high	97	Very high	4 Å²	4	27 Å²	27	3%	0.025	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-74.8	-9.4	178.1	71.3	0	0	0	0	114.5	L25 Q769 R770	L25-T772 HydrophobicContact CD2-CG2 3.93Å; Q769-T772 PolarHBondContact O-N 3.11Å; Q769-T772 VanDerWaalsContact O-N 3.11Å; Q769-T772 PolarHBondContact O-OG1 3.12Å; R770-T772 PolarHBondContact O-N 2.89Å; R770-T772 VanDerWaalsContact O-N 3.16Å
773	K	97.5	Very high	97.1	Very high	51 Å²	51	28.4 Å²	28.4	22%	0.222	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-83.7	-33.2	178.2	-51.8	-57	-178.8	-177.3	0	112.3	R770 I771 V776 L777	R770-K773 WeakPolarHBondContact O-CB 3.23Å; R770-K773 PolarHBondContact O-N 2.81Å; I771-K773 VanDerWaalsContact C-N 3.27Å; I771-K773 PolarHBondContact O-N 3.11Å; K773-V776 PolarHBondContact O-N 2.83Å; K773-V776 VanDerWaalsContact O-N 3.11Å; K773-L777 HydrophobicContact CB-CD1 4.46Å; K773-L777 PolarHBondContact O-N 3.22Å; K773-L777 VanDerWaalsContact O-N 3.08Å
774	Y	98.6	Very high	97.1	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-55.3	-45.9	-176.8	-60.9	-58.1	0	0	0	114.1	L623 E627 H670 F673 F706 R770 I771 V776 L777 F778 V802	L623-Y774 HydrophobicContact CD1-CD1 4.07Å; L623-Y774 HydrophobicContact CD1-CE1 4.21Å; E627-Y774 VanDerWaalsContact CD-OH 3.31Å; E627-Y774 PolarHBondContact OE1-OH 2.86Å; E627-Y774 VanDerWaalsContact OE2-CE1 3.28Å; E627-Y774 WeakPolarHBondContact OE2-CE1 3.5Å; E627-Y774 PolarHBondContact OE2-OH 3.31Å; H670-Y774 PolarHBondContact CE1-OH 2.81Å; H670-Y774 VanDerWaalsContact CE1-OH 3.28Å; H670-Y774 PolarHBondContact ND1-OH 2.85Å; F673-Y774 AromaticContact CE1-CE1 3.81Å; F673-Y774 HydrophobicContact CE1-CE1 3.81Å; F706-Y774 AromaticContact CE1-CD2 3.97Å; F706-Y774 HydrophobicContact CE1-CD2 3.97Å; F706-Y774 HydrophobicContact CE1-CE2 4.34Å; F706-Y774 HydrophobicContact CE1-CG 4.44Å; F706-Y774 HydrophobicContact CZ-CD1 4.23Å; F706-Y774 AromaticContact CZ-CD2 3.69Å; F706-Y774 HydrophobicContact CZ-CD2 3.69Å; F706-Y774 HydrophobicContact CZ-CE1 4.43Å; F706-Y774 AromaticContact CZ-CE2 3.92Å; F706-Y774 HydrophobicContact CZ-CE2 3.92Å; F706-Y774 AromaticContact CZ-CG 3.87Å; F706-Y774 HydrophobicContact CZ-CG 3.87Å; R770-Y774 HydrophobicContact CG-CE2 4.03Å; R770-Y774 WeakPolarHBondContact CG-OH 3.3Å; R770-Y774 PolarHBondContact NE-OH 3.24Å; I771-Y774 WeakPolarHBondContact O-CD2 3.21Å; Y774-V776 VanDerWaalsContact C-N 3.26Å; Y774-V776 PolarHBondContact O-N 3.04Å; Y774-L777 PolarHBondContact O-N 3.24Å; Y774-F778 HydrophobicContact CD1-CE1 4.09Å; Y774-F778 AromaticContact CD1-CZ 3.94Å; Y774-F778 HydrophobicContact CD1-CZ 3.94Å; Y774-F778 HydrophobicContact CG-CZ 4.13Å; Y774-F778 WeakPolarHBondContact O-CB 3.38Å; Y774-F778 WeakPolarHBondContact O-CD1 3.41Å; Y774-F778 WeakPolarHBondContact O-CG 3.34Å; Y774-F778 PolarHBondContact O-N 3.47Å; Y774-V802 HydrophobicContact CD2-CG2 4.33Å; Y774-V802 HydrophobicContact CG-CG2 4.41Å
775	P	98.1	Very high	97.1	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-37	177.6	-18	27.5	0	0	0	112.9	Q779 L799 V802 I806	P775-Q779 WeakPolarHBondContact O-CB 3.4Å; P775-Q779 PolarHBondContact O-N 2.82Å; P775-L799 HydrophobicContact CB-CD1 4.04Å; P775-L799 VanDerWaalsContact O-CD1 3.26Å; P775-L799 WeakPolarHBondContact O-CD1 3.17Å; P775-V802 HydrophobicContact CB-CG1 4.34Å; P775-V802 HydrophobicContact CG-CG1 4.02Å; P775-I806 HydrophobicContact CG-CD1 3.45Å; P775-I806 VanDerWaalsContact CG-CD1 3.45Å
776	V	97.6	Very high	96.8	Very high	60 Å²	60	31.6 Å²	31.6	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-70.8	-37.6	-179.8	-176.7	0	0	0	0	111.1	K773 Y774 R780	K773-V776 PolarHBondContact O-N 2.83Å; K773-V776 VanDerWaalsContact O-N 3.11Å; Y774-V776 VanDerWaalsContact C-N 3.26Å; Y774-V776 PolarHBondContact O-N 3.04Å; V776-R780 WeakPolarHBondContact O-CG 3.37Å; V776-R780 PolarHBondContact O-N 3.4Å
777	L	98.2	Very high	96.2	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-70.7	-50.5	176	-68.2	167.3	0	0	0	110.8	V619 E622 L623 K773 Y774 Q779 R780 I781	V619-L777 HydrophobicContact CG1-CD2 4.48Å; E622-L777 HydrophobicContact CB-CD2 4.32Å; E622-L777 HydrophobicContact CG-CD2 3.81Å; L623-L777 HydrophobicContact CB-CD1 4.35Å; L623-L777 HydrophobicContact CD1-CD1 3.81Å; K773-L777 HydrophobicContact CB-CD1 4.46Å; K773-L777 PolarHBondContact O-N 3.22Å; K773-L777 VanDerWaalsContact O-N 3.08Å; Y774-L777 PolarHBondContact O-N 3.24Å; L777-Q779 VanDerWaalsContact C-N 3.34Å; L777-Q779 PolarHBondContact O-N 2.95Å; L777-R780 WeakPolarHBondContact O-CB 3.1Å; L777-R780 PolarHBondContact O-N 3.47Å; L777-I781 WeakPolarHBondContact O-CG1 3.49Å; L777-I781 PolarHBondContact O-N 2.97Å
778	F	98.5	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-40.1	-176.6	-58.2	-5.7	0	0	0	111.2	L623 L702 F706 Y774 R780 I781 L782 L799 V802	L623-F778 HydrophobicContact CD1-CE1 3.98Å; L623-F778 HydrophobicContact CD2-CD1 4.41Å; L623-F778 HydrophobicContact CD2-CE1 3.91Å; L702-F778 HydrophobicContact CB-CE2 4.37Å; L702-F778 HydrophobicContact CB-CZ 4.38Å; L702-F778 HydrophobicContact CD1-CD1 3.65Å; L702-F778 HydrophobicContact CD1-CD2 4.33Å; L702-F778 HydrophobicContact CD1-CE1 3.75Å; L702-F778 HydrophobicContact CD1-CE2 4.4Å; L702-F778 HydrophobicContact CD1-CG 3.99Å; L702-F778 HydrophobicContact CD1-CZ 4.13Å; L702-F778 HydrophobicContact CD2-CE1 3.81Å; L702-F778 HydrophobicContact CD2-CZ 3.89Å; L702-F778 HydrophobicContact CG-CE1 4.31Å; L702-F778 HydrophobicContact CG-CZ 4.35Å; F706-F778 AromaticContact CD2-CE2 3.84Å; F706-F778 HydrophobicContact CD2-CE2 3.84Å; F706-F778 HydrophobicContact CD2-CZ 4.04Å; F706-F778 AromaticContact CE2-CE2 3.78Å; F706-F778 HydrophobicContact CE2-CE2 3.78Å; F706-F778 AromaticContact CE2-CZ 3.55Å; F706-F778 HydrophobicContact CE2-CZ 3.55Å; F706-F778 HydrophobicContact CZ-CE2 4.37Å; F706-F778 HydrophobicContact CZ-CZ 4.15Å; Y774-F778 HydrophobicContact CD1-CE1 4.09Å; Y774-F778 AromaticContact CD1-CZ 3.94Å; Y774-F778 HydrophobicContact CD1-CZ 3.94Å; Y774-F778 HydrophobicContact CG-CZ 4.13Å; Y774-F778 WeakPolarHBondContact O-CB 3.38Å; Y774-F778 WeakPolarHBondContact O-CD1 3.41Å; Y774-F778 WeakPolarHBondContact O-CG 3.34Å; Y774-F778 PolarHBondContact O-N 3.47Å; F778-R780 VanDerWaalsContact C-N 3.31Å; F778-R780 PolarHBondContact O-N 3.36Å; F778-I781 PolarHBondContact O-N 3.09Å; F778-L782 WeakPolarHBondContact O-CB 3.44Å; F778-L782 PolarHBondContact O-N 3.26Å; F778-L799 HydrophobicContact CB-CB 4.33Å; F778-L799 HydrophobicContact CB-CD1 4.29Å; F778-V802 HydrophobicContact CD2-CB 4.47Å; F778-V802 HydrophobicContact CD2-CG1 3.87Å; F778-V802 HydrophobicContact CE2-CB 4.17Å; F778-V802 HydrophobicContact CE2-CG1 4.06Å; F778-V802 HydrophobicContact CE2-CG2 4.44Å
779	Q	98.1	Very high	95.8	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-36.9	173.4	-173.7	175.8	4.8	0	0	112.8	P775 L777 Q783 L799	P775-Q779 WeakPolarHBondContact O-CB 3.4Å; P775-Q779 PolarHBondContact O-N 2.82Å; L777-Q779 VanDerWaalsContact C-N 3.34Å; L777-Q779 PolarHBondContact O-N 2.95Å; Q779-Q783 WeakPolarHBondContact O-CB 3.42Å; Q779-Q783 WeakPolarHBondContact O-CG 3.34Å; Q779-Q783 PolarHBondContact O-N 3.3Å; Q779-L799 HydrophobicContact CB-CD1 4.09Å; Q779-L799 HydrophobicContact CB-CD2 3.84Å; Q779-L799 HydrophobicContact CG-CD2 4.18Å
780	R	97.6	Very high	95.9	Very high	37 Å²	37	48.7 Å²	48.7	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-70.2	-40.4	174.1	-74.7	179	-160.8	166.2	9.6	112.4	L547 V619 E622 V776 L777 F778 L782 Q783 C784	L547-R780 VanDerWaalsContact CB-NH2 3.34Å; V619-R780 HydrophobicContact CG1-CB 3.68Å; V619-R780 HydrophobicContact CG2-CB 4.25Å; E622-R780 IonicContact OE1-CZ 2.93Å; E622-R780 IonicContact OE1-NH1 2.66Å; E622-R780 PolarHBondContact OE1-NH1 2.87Å; E622-R780 IonicContact OE2-CZ 2.63Å; E622-R780 IonicContact OE2-NH1 3.18Å; E622-R780 PolarHBondContact OE2-NH1 3.24Å; V776-R780 WeakPolarHBondContact O-CG 3.37Å; V776-R780 PolarHBondContact O-N 3.4Å; L777-R780 WeakPolarHBondContact O-CB 3.1Å; L777-R780 PolarHBondContact O-N 3.47Å; F778-R780 VanDerWaalsContact C-N 3.31Å; F778-R780 PolarHBondContact O-N 3.36Å; R780-L782 VanDerWaalsContact C-N 3.34Å; R780-Q783 PolarHBondContact O-N 3.25Å; R780-C784 WeakPolarHBondContact O-CB 3.35Å; R780-C784 PolarHBondContact O-N 3Å; R780-C784 PolarHBondContact O-SG 2.96Å
781	I	98.3	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-45.2	177.7	-59.5	167.3	0	0	0	109.1	R616 V619 I620 L623 I698 L777 F778 C784 T785 L795	R616-I781 HydrophobicContact CG-CG2 4.44Å; V619-I781 HydrophobicContact CB-CG1 4.15Å; V619-I781 HydrophobicContact CG1-CD1 4.42Å; V619-I781 HydrophobicContact CG1-CG1 3.56Å; I620-I781 HydrophobicContact CD1-CG2 4.24Å; I620-I781 HydrophobicContact CG1-CD1 4.05Å; I620-I781 HydrophobicContact CG1-CG1 4.11Å; I620-I781 HydrophobicContact CG1-CG2 4Å; L623-I781 HydrophobicContact CD2-CD1 4.05Å; I698-I781 HydrophobicContact CG2-CG2 4.15Å; L777-I781 WeakPolarHBondContact O-CG1 3.49Å; L777-I781 PolarHBondContact O-N 2.97Å; F778-I781 PolarHBondContact O-N 3.09Å; I781-C784 CarbonylContact O-C 3.53Å; I781-C784 PolarHBondContact O-N 3.06Å; I781-C784 VanDerWaalsContact O-N 3.13Å; I781-T785 PolarHBondContact O-N 3.37Å; I781-T785 PolarHBondContact O-OG1 2.85Å; I781-L795 HydrophobicContact CB-CD2 4.21Å; I781-L795 HydrophobicContact CG2-CD1 3.77Å; I781-L795 HydrophobicContact CG2-CD2 3.78Å; I781-L795 HydrophobicContact CG2-CG 4.48Å
782	L	97.8	Very high	96	Very high	41 Å²	41	51.3 Å²	51.3	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-51.7	172.9	179.5	58	0	0	0	111.6	F778 R780 C784 T785 Q792 L795 A796 L799	F778-L782 WeakPolarHBondContact O-CB 3.44Å; F778-L782 PolarHBondContact O-N 3.26Å; R780-L782 VanDerWaalsContact C-N 3.34Å; L782-C784 PolarHBondContact O-N 3.32Å; L782-C784 VanDerWaalsContact O-N 3.13Å; L782-T785 PolarHBondContact O-N 3.34Å; L782-Q792 HydrophobicContact CD1-CB 3.93Å; L782-Q792 HydrophobicContact CD1-CG 4.17Å; L782-Q792 WeakPolarHBondContact CD1-O 3.4Å; L782-L795 HydrophobicContact CB-CB 4.09Å; L782-L795 HydrophobicContact CD1-CB 3.95Å; L782-A796 HydrophobicContact CD2-CB 4.17Å; L782-L799 HydrophobicContact CD2-CD2 4.1Å
783	Q	96.4	Very high	96.1	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-62.5	-17.7	177.1	-75.5	171.7	-10.8	0	0	114.9	Q779 R780	Q779-Q783 WeakPolarHBondContact O-CB 3.42Å; Q779-Q783 WeakPolarHBondContact O-CG 3.34Å; Q779-Q783 PolarHBondContact O-N 3.3Å; R780-Q783 PolarHBondContact O-N 3.25Å
784	C	95.9	Very high	96.1	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-0.2	175.5	-57.8	0	0	0	0	112.8	K615 R616 R780 I781 L782	K615-C784 VanDerWaalsContact CE-SG 3.59Å; R616-C784 HydrophobicContact CB-CB 3.75Å; R616-C784 WeakPolarHBondContact CD-O 3.44Å; R616-C784 HydrophobicContact CG-CB 4.18Å; R780-C784 WeakPolarHBondContact O-CB 3.35Å; R780-C784 PolarHBondContact O-N 3Å; R780-C784 PolarHBondContact O-SG 2.96Å; I781-C784 CarbonylContact O-C 3.53Å; I781-C784 PolarHBondContact O-N 3.06Å; I781-C784 VanDerWaalsContact O-N 3.13Å; L782-C784 PolarHBondContact O-N 3.32Å; L782-C784 VanDerWaalsContact O-N 3.13Å
785	T	95.1	Very high	96.1	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.049	28%	0.278	C	S	.	.			trans	-92.9	126.4	175.2	-57.4	0	0	0	0	108.9	R616 I781 L782 E791 Q792 L795	R616-T785 VanDerWaalsContact CD-OG1 3.32Å; R616-T785 WeakPolarHBondContact CD-OG1 3.49Å; R616-T785 PolarHBondContact NE-OG1 3.43Å; I781-T785 PolarHBondContact O-N 3.37Å; I781-T785 PolarHBondContact O-OG1 2.85Å; L782-T785 PolarHBondContact O-N 3.34Å; T785-E791 HydrophobicContact CG2-CB 4.3Å; T785-E791 HydrophobicContact CG2-CG 3.68Å; T785-Q792 HydrophobicContact CG2-CG 3.75Å; T785-Q792 PolarHBondContact O-NE2 3.45Å; T785-L795 HydrophobicContact CG2-CD1 4.33Å; T785-L795 VanDerWaalsContact OG1-CD1 3.28Å; T785-L795 WeakPolarHBondContact OG1-CD1 3.49Å
786	K	88.5	Confident	96.1	Very high	118 Å²	118	57.7 Å²	57.7	51%	0.513	29%	0.294	S	S	.	.			trans	-130.1	161	175.7	-62.1	-178.6	-177.2	169	0	109.3	D612 N788	D612-K786 IonicContact OD2-NZ 2.71Å; D612-K786 PolarHBondContact OD2-NZ 3.18Å; K786-N788 PolarHBondContact O-N 3.12Å
787	D	83.6	Confident	96.2	Very high	158 Å²	158	59.7 Å²	59.7	85%	0.845	30%	0.299	S	S	*	.	S	Bend	trans	56.5	28.3	163.6	-38.5	-30.9	0	0	0	113.8
788	N	91.8	Very high	96.2	Very high	61 Å²	61	59.3 Å²	59.3	33%	0.326	30%	0.297	S	S	.	.			trans	-155.1	88.1	177.7	-178.9	-2.6	0	0	0	108.8	K786 E791 Q792	K786-N788 PolarHBondContact O-N 3.12Å; N788-E791 HydrophobicContact CB-CB 4.34Å; N788-E791 VanDerWaalsContact ND2-CB 3.34Å; N788-E791 WeakPolarHBondContact ND2-CB 3.21Å; N788-E791 PolarHBondContact O-N 3.33Å; N788-E791 PolarHBondContact OD1-N 3.16Å; N788-Q792 WeakPolarHBondContact O-CG 3.29Å; N788-Q792 PolarHBondContact O-N 2.95Å; N788-Q792 VanDerWaalsContact O-N 3.15Å
789	E	95.1	Very high	96.2	Very high	151 Å²	151	59.9 Å²	59.9	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-62.6	-44.4	-172.6	-64.9	169.9	162.5	0	0	111.6	E791 Q792 E793	E789-E791 VanDerWaalsContact C-N 3.34Å; E789-E791 PolarHBondContact O-N 2.91Å; E789-Q792 CarbonylContact O-C 3.57Å; E789-Q792 WeakPolarHBondContact O-CA 3.34Å; E789-Q792 WeakPolarHBondContact O-CB 3.21Å; E789-Q792 PolarHBondContact O-N 2.94Å; E789-E793 WeakPolarHBondContact O-CG 3.41Å; E789-E793 PolarHBondContact O-N 2.81Å
790	V	97	Very high	96.3	Very high	71 Å²	71	58.1 Å²	58.1	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-36.5	-178.1	-160.3	0	0	0	0	112.7	D794	V790-D794 PolarHBondContact O-N 2.98Å
791	E	97.8	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.1	-33.1	172.3	168.8	73.6	179.3	0	0	111.6	R616 R697 I698 G699 T785 N788 E789 E793 L795	R616-E791 IonicContact CZ-OE1 2.66Å; R616-E791 IonicContact NH2-OE1 2.65Å; R616-E791 PolarHBondContact NH2-OE1 3.42Å; R697-E791 VanDerWaalsContact CA-OE2 3.3Å; R697-E791 WeakPolarHBondContact CA-OE2 3.2Å; R697-E791 WeakPolarHBondContact CG-OE2 3.49Å; I698-E791 WeakPolarHBondContact CG2-OE1 3.36Å; I698-E791 PolarHBondContact N-OE1 2.94Å; I698-E791 PolarHBondContact N-OE2 3.21Å; G699-E791 PolarHBondContact N-OE1 3.23Å; G699-E791 PolarHBondContact N-OE2 3.31Å; T785-E791 HydrophobicContact CG2-CB 4.3Å; T785-E791 HydrophobicContact CG2-CG 3.68Å; N788-E791 HydrophobicContact CB-CB 4.34Å; N788-E791 VanDerWaalsContact ND2-CB 3.34Å; N788-E791 WeakPolarHBondContact ND2-CB 3.21Å; N788-E791 PolarHBondContact O-N 3.33Å; N788-E791 PolarHBondContact OD1-N 3.16Å; E789-E791 VanDerWaalsContact C-N 3.34Å; E789-E791 PolarHBondContact O-N 2.91Å; E791-E793 VanDerWaalsContact C-N 3.34Å; E791-L795 HydrophobicContact CG-CD1 3.84Å; E791-L795 HydrophobicContact CG-CG 4.38Å; E791-L795 VanDerWaalsContact O-CB 3.23Å; E791-L795 WeakPolarHBondContact O-CB 3.35Å; E791-L795 WeakPolarHBondContact O-CD1 3.35Å; E791-L795 WeakPolarHBondContact O-CG 3.37Å; E791-L795 PolarHBondContact O-N 3.3Å; E791-L795 WeakPolarHBondContact OE1-CD1 3.48Å
792	Q	97.9	Very high	96.3	Very high	65 Å²	65	58.1 Å²	58.1	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-37.5	173.2	-70.2	174.2	-20.9	0	0	111.6	L782 T785 N788 E789 L795 A796	L782-Q792 HydrophobicContact CD1-CB 3.93Å; L782-Q792 HydrophobicContact CD1-CG 4.17Å; L782-Q792 WeakPolarHBondContact CD1-O 3.4Å; T785-Q792 HydrophobicContact CG2-CG 3.75Å; T785-Q792 PolarHBondContact O-NE2 3.45Å; N788-Q792 WeakPolarHBondContact O-CG 3.29Å; N788-Q792 PolarHBondContact O-N 2.95Å; N788-Q792 VanDerWaalsContact O-N 3.15Å; E789-Q792 CarbonylContact O-C 3.57Å; E789-Q792 WeakPolarHBondContact O-CA 3.34Å; E789-Q792 WeakPolarHBondContact O-CB 3.21Å; E789-Q792 PolarHBondContact O-N 2.94Å; Q792-L795 PolarHBondContact O-N 3.37Å; Q792-A796 VanDerWaalsContact O-CB 3.26Å; Q792-A796 WeakPolarHBondContact O-CB 3.44Å; Q792-A796 PolarHBondContact O-N 2.92Å
793	E	98.3	Very high	96.4	Very high	128 Å²	128	61.1 Å²	61.1	60%	0.598	31%	0.312	S	S	*	.	H	α-helix	trans	-64.9	-52.6	174.9	-71.3	177.7	158.3	0	0	111.6	E789 E791 L795 A796 Q797	E789-E793 WeakPolarHBondContact O-CG 3.41Å; E789-E793 PolarHBondContact O-N 2.81Å; E791-E793 VanDerWaalsContact C-N 3.34Å; E793-L795 VanDerWaalsContact C-N 3.27Å; E793-L795 PolarHBondContact O-N 3.29Å; E793-A796 PolarHBondContact O-N 3.37Å; E793-A796 VanDerWaalsContact O-N 3.12Å; E793-Q797 WeakPolarHBondContact O-CB 3.3Å; E793-Q797 PolarHBondContact O-N 3.13Å
794	D	98.7	Very high	96.5	Very high	23 Å²	23	59.1 Å²	59.1	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-42.8	174.4	-72.9	-6.1	0	0	0	111.4	R697 D700 V703 V790 Q797 S798	R697-D794 IonicContact CZ-OD2 3.2Å; R697-D794 IonicContact NE-OD2 2.92Å; R697-D794 PolarHBondContact NE-OD2 3.44Å; R697-D794 VanDerWaalsContact NH2-CG 3.31Å; R697-D794 IonicContact NH2-OD1 3.31Å; R697-D794 PolarHBondContact NH2-OD1 2.83Å; R697-D794 IonicContact NH2-OD2 2.68Å; R697-D794 PolarHBondContact NH2-OD2 3.33Å; D700-D794 PolarHBondContact N-OD2 2.95Å; D700-D794 VanDerWaalsContact N-OD2 3.12Å; V703-D794 HydrophobicContact CG2-CB 4.13Å; V703-D794 VanDerWaalsContact CG2-O 3.27Å; V703-D794 WeakPolarHBondContact CG2-O 3.5Å; V790-D794 PolarHBondContact O-N 2.98Å; D794-Q797 PolarHBondContact O-N 3.25Å; D794-S798 VanDerWaalsContact O-CB 3.29Å; D794-S798 WeakPolarHBondContact O-CB 3.49Å; D794-S798 PolarHBondContact O-N 2.88Å; D794-S798 PolarHBondContact O-OG 3.18Å
795	L	98.7	Very high	96.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-32.9	179.2	-73.1	171.6	0	0	0	112.9	I698 L702 I781 L782 T785 E791 Q792 E793 S798 L799	I698-L795 HydrophobicContact CG2-CD2 4.26Å; L702-L795 HydrophobicContact CD1-CD2 3.88Å; I781-L795 HydrophobicContact CB-CD2 4.21Å; I781-L795 HydrophobicContact CG2-CD1 3.77Å; I781-L795 HydrophobicContact CG2-CD2 3.78Å; I781-L795 HydrophobicContact CG2-CG 4.48Å; L782-L795 HydrophobicContact CB-CB 4.09Å; L782-L795 HydrophobicContact CD1-CB 3.95Å; T785-L795 HydrophobicContact CG2-CD1 4.33Å; T785-L795 VanDerWaalsContact OG1-CD1 3.28Å; T785-L795 WeakPolarHBondContact OG1-CD1 3.49Å; E791-L795 HydrophobicContact CG-CD1 3.84Å; E791-L795 HydrophobicContact CG-CG 4.38Å; E791-L795 VanDerWaalsContact O-CB 3.23Å; E791-L795 WeakPolarHBondContact O-CB 3.35Å; E791-L795 WeakPolarHBondContact O-CD1 3.35Å; E791-L795 WeakPolarHBondContact O-CG 3.37Å; E791-L795 PolarHBondContact O-N 3.3Å; E791-L795 WeakPolarHBondContact OE1-CD1 3.48Å; Q792-L795 PolarHBondContact O-N 3.37Å; E793-L795 VanDerWaalsContact C-N 3.27Å; E793-L795 PolarHBondContact O-N 3.29Å; L795-S798 WeakPolarHBondContact CA-OG 3.3Å; L795-S798 PolarHBondContact O-OG 3.48Å; L795-L799 WeakPolarHBondContact O-CB 3.44Å; L795-L799 PolarHBondContact O-N 3.28Å; L795-L799 VanDerWaalsContact O-N 3.14Å
796	A	98.5	Very high	96.7	Very high	47 Å²	47	59.3 Å²	59.3	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-73.2	-41.2	174	0	0	0	0	0	111.7	L782 Q792 E793 L799 S800	L782-A796 HydrophobicContact CD2-CB 4.17Å; Q792-A796 VanDerWaalsContact O-CB 3.26Å; Q792-A796 WeakPolarHBondContact O-CB 3.44Å; Q792-A796 PolarHBondContact O-N 2.92Å; E793-A796 PolarHBondContact O-N 3.37Å; E793-A796 VanDerWaalsContact O-N 3.12Å; A796-L799 PolarHBondContact O-N 3.09Å; A796-S800 PolarHBondContact O-N 3.12Å
797	Q	98.8	Very high	97.2	Very high	103 Å²	103	55.4 Å²	55.4	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-51.6	176.5	-168.1	-171.2	29.3	0	0	111.1	V703 E793 D794 L799 S800 L801	V703-Q797 HydrophobicContact CG2-CB 4.23Å; E793-Q797 WeakPolarHBondContact O-CB 3.3Å; E793-Q797 PolarHBondContact O-N 3.13Å; D794-Q797 PolarHBondContact O-N 3.25Å; Q797-L799 VanDerWaalsContact C-N 3.27Å; Q797-L799 PolarHBondContact O-N 3.38Å; Q797-S800 WeakPolarHBondContact O-CA 3.41Å; Q797-S800 WeakPolarHBondContact O-CB 3.46Å; Q797-S800 PolarHBondContact O-N 3.29Å; Q797-L801 HydrophobicContact CG-CD1 4.03Å; Q797-L801 HydrophobicContact CG-CG 4.48Å; Q797-L801 WeakPolarHBondContact O-CB 3.03Å; Q797-L801 WeakPolarHBondContact O-CG 3.5Å; Q797-L801 PolarHBondContact O-N 2.69Å
798	S	98.8	Very high	97.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-33.7	176.5	56.3	0	0	0	0	112.8	D794 L795 V802	D794-S798 VanDerWaalsContact O-CB 3.29Å; D794-S798 WeakPolarHBondContact O-CB 3.49Å; D794-S798 PolarHBondContact O-N 2.88Å; D794-S798 PolarHBondContact O-OG 3.18Å; L795-S798 WeakPolarHBondContact CA-OG 3.3Å; L795-S798 PolarHBondContact O-OG 3.48Å; S798-V802 WeakPolarHBondContact O-CG1 3.43Å; S798-V802 PolarHBondContact O-N 2.97Å; S798-V802 VanDerWaalsContact O-N 3.09Å
799	L	98.7	Very high	98.2	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-25.5	170.8	177.6	61.4	0	0	0	113.9	P775 F778 Q779 L782 L795 A796 Q797 K803	P775-L799 HydrophobicContact CB-CD1 4.04Å; P775-L799 VanDerWaalsContact O-CD1 3.26Å; P775-L799 WeakPolarHBondContact O-CD1 3.17Å; F778-L799 HydrophobicContact CB-CB 4.33Å; F778-L799 HydrophobicContact CB-CD1 4.29Å; Q779-L799 HydrophobicContact CB-CD1 4.09Å; Q779-L799 HydrophobicContact CB-CD2 3.84Å; Q779-L799 HydrophobicContact CG-CD2 4.18Å; L782-L799 HydrophobicContact CD2-CD2 4.1Å; L795-L799 WeakPolarHBondContact O-CB 3.44Å; L795-L799 PolarHBondContact O-N 3.28Å; L795-L799 VanDerWaalsContact O-N 3.14Å; A796-L799 PolarHBondContact O-N 3.09Å; Q797-L799 VanDerWaalsContact C-N 3.27Å; Q797-L799 PolarHBondContact O-N 3.38Å; L799-K803 VanDerWaalsContact O-CD 3.23Å; L799-K803 WeakPolarHBondContact O-CD 3.47Å; L799-K803 WeakPolarHBondContact O-CE 3.46Å; L799-K803 WeakPolarHBondContact O-CG 3.36Å; L799-K803 PolarHBondContact O-NZ 3.31Å
800	S	98.7	Very high	98.2	Very high	55 Å²	55	43.5 Å²	43.5	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-75.9	-56.7	168.5	-163.6	0	0	0	0	110.2	A796 Q797 V802 K803 D804	A796-S800 PolarHBondContact O-N 3.12Å; Q797-S800 WeakPolarHBondContact O-CA 3.41Å; Q797-S800 WeakPolarHBondContact O-CB 3.46Å; Q797-S800 PolarHBondContact O-N 3.29Å; S800-V802 VanDerWaalsContact C-N 3.26Å; S800-V802 PolarHBondContact O-N 3.35Å; S800-V802 VanDerWaalsContact O-N 3.11Å; S800-K803 WeakPolarHBondContact O-CA 3.48Å; S800-K803 VanDerWaalsContact O-CB 3.3Å; S800-K803 WeakPolarHBondContact O-CB 3.38Å; S800-K803 PolarHBondContact O-N 2.92Å; S800-D804 VanDerWaalsContact C-OD2 3.3Å; S800-D804 PolarHBondContact O-N 2.99Å; S800-D804 VanDerWaalsContact O-N 3.08Å; S800-D804 VanDerWaalsContact O-OD2 3.1Å; S800-D804 PolarHBondContact OG-OD2 2.75Å
801	L	98.8	Very high	98.1	Very high	37 Å²	37	43.5 Å²	43.5	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-47.5	-45	-177.7	-75.3	168.6	0	0	0	113	V703 F706 Q797 K803 D804 V805	V703-L801 HydrophobicContact CG1-CD1 4.26Å; F706-L801 HydrophobicContact CB-CB 4.01Å; F706-L801 WeakPolarHBondContact O-CB 3.23Å; Q797-L801 HydrophobicContact CG-CD1 4.03Å; Q797-L801 HydrophobicContact CG-CG 4.48Å; Q797-L801 WeakPolarHBondContact O-CB 3.03Å; Q797-L801 WeakPolarHBondContact O-CG 3.5Å; Q797-L801 PolarHBondContact O-N 2.69Å; L801-K803 VanDerWaalsContact C-N 3.34Å; L801-K803 PolarHBondContact O-N 2.85Å; L801-D804 PolarHBondContact O-N 3.19Å; L801-V805 WeakPolarHBondContact O-CG2 3.42Å; L801-V805 PolarHBondContact O-N 2.86Å
802	V	98.7	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.3	-27.5	178.9	71.3	0	0	0	0	113.8	F706 Y774 P775 F778 S798 S800 I806	F706-V802 HydrophobicContact CB-CB 4.48Å; F706-V802 HydrophobicContact CD1-CB 3.74Å; F706-V802 HydrophobicContact CD1-CG2 3.51Å; F706-V802 HydrophobicContact CE1-CB 4.17Å; F706-V802 HydrophobicContact CE1-CG2 3.45Å; F706-V802 VanDerWaalsContact CE1-CG2 3.45Å; F706-V802 HydrophobicContact CG-CB 4.06Å; F706-V802 HydrophobicContact CG-CG2 4.25Å; F706-V802 HydrophobicContact CZ-CG2 4.16Å; Y774-V802 HydrophobicContact CD2-CG2 4.33Å; Y774-V802 HydrophobicContact CG-CG2 4.41Å; P775-V802 HydrophobicContact CB-CG1 4.34Å; P775-V802 HydrophobicContact CG-CG1 4.02Å; F778-V802 HydrophobicContact CD2-CB 4.47Å; F778-V802 HydrophobicContact CD2-CG1 3.87Å; F778-V802 HydrophobicContact CE2-CB 4.17Å; F778-V802 HydrophobicContact CE2-CG1 4.06Å; F778-V802 HydrophobicContact CE2-CG2 4.44Å; S798-V802 WeakPolarHBondContact O-CG1 3.43Å; S798-V802 PolarHBondContact O-N 2.97Å; S798-V802 VanDerWaalsContact O-N 3.09Å; S800-V802 VanDerWaalsContact C-N 3.26Å; S800-V802 PolarHBondContact O-N 3.35Å; S800-V802 VanDerWaalsContact O-N 3.11Å; V802-I806 HydrophobicContact CG2-CD1 4.46Å; V802-I806 WeakPolarHBondContact O-CD1 3.48Å; V802-I806 WeakPolarHBondContact O-CG1 3.39Å; V802-I806 PolarHBondContact O-N 2.87Å; V802-I806 VanDerWaalsContact O-N 3.09Å
803	K	98.3	Very high	97.7	Very high	104 Å²	104	45.8 Å²	45.8	45%	0.452	26%	0.257	S	S	.	.	H	α-helix	trans	-71.7	-38.5	170.9	-62.2	163.2	-170.4	156.6	0	110.8	L799 S800 L801 V805 I806 G807	L799-K803 VanDerWaalsContact O-CD 3.23Å; L799-K803 WeakPolarHBondContact O-CD 3.47Å; L799-K803 WeakPolarHBondContact O-CE 3.46Å; L799-K803 WeakPolarHBondContact O-CG 3.36Å; L799-K803 PolarHBondContact O-NZ 3.31Å; S800-K803 WeakPolarHBondContact O-CA 3.48Å; S800-K803 VanDerWaalsContact O-CB 3.3Å; S800-K803 WeakPolarHBondContact O-CB 3.38Å; S800-K803 PolarHBondContact O-N 2.92Å; L801-K803 VanDerWaalsContact C-N 3.34Å; L801-K803 PolarHBondContact O-N 2.85Å; K803-V805 VanDerWaalsContact C-N 3.34Å; K803-I806 PolarHBondContact O-N 2.81Å; K803-I806 VanDerWaalsContact O-N 3.15Å; K803-G807 PolarHBondContact O-N 3.42Å
804	D	98.4	Very high	97.5	Very high	87 Å²	87	41.5 Å²	41.5	47%	0.465	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-38.9	178.4	-55.9	-41.4	0	0	0	110.9	S800 L801 G807 A808	S800-D804 VanDerWaalsContact C-OD2 3.3Å; S800-D804 PolarHBondContact O-N 2.99Å; S800-D804 VanDerWaalsContact O-N 3.08Å; S800-D804 VanDerWaalsContact O-OD2 3.1Å; S800-D804 PolarHBondContact OG-OD2 2.75Å; L801-D804 PolarHBondContact O-N 3.19Å; D804-G807 PolarHBondContact O-N 2.92Å; D804-A808 WeakPolarHBondContact O-CB 3.3Å; D804-A808 PolarHBondContact O-N 3.39Å
805	V	98.7	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-47.7	167.6	171.3	0	0	0	0	111.3	A711 L714 K715 I771 L801 K803 A808 V809	A711-V805 HydrophobicContact CB-CG2 3.98Å; L714-V805 HydrophobicContact CB-CG1 4.01Å; K715-V805 HydrophobicContact CG-CB 4.25Å; K715-V805 HydrophobicContact CG-CG1 4.02Å; K715-V805 HydrophobicContact CG-CG2 4.17Å; I771-V805 HydrophobicContact CD1-CG1 3.96Å; L801-V805 WeakPolarHBondContact O-CG2 3.42Å; L801-V805 PolarHBondContact O-N 2.86Å; K803-V805 VanDerWaalsContact C-N 3.34Å; V805-A808 PolarHBondContact O-N 3.22Å; V805-V809 WeakPolarHBondContact O-CG2 3.22Å; V805-V809 PolarHBondContact O-N 2.96Å
806	I	97.9	Very high	96.9	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-43.2	178.7	-70	161.9	0	0	0	111.8	L25 I771 P775 V802 K803 A808 V809 D810	L25-I806 HydrophobicContact CD2-CG2 4.2Å; I771-I806 HydrophobicContact CD1-CG1 4.24Å; I771-I806 HydrophobicContact CG1-CG1 3.97Å; P775-I806 HydrophobicContact CG-CD1 3.45Å; P775-I806 VanDerWaalsContact CG-CD1 3.45Å; V802-I806 HydrophobicContact CG2-CD1 4.46Å; V802-I806 WeakPolarHBondContact O-CD1 3.48Å; V802-I806 WeakPolarHBondContact O-CG1 3.39Å; V802-I806 PolarHBondContact O-N 2.87Å; V802-I806 VanDerWaalsContact O-N 3.09Å; K803-I806 PolarHBondContact O-N 2.81Å; K803-I806 VanDerWaalsContact O-N 3.15Å; I806-A808 VanDerWaalsContact C-N 3.34Å; I806-A808 PolarHBondContact O-N 3.49Å; I806-V809 PolarHBondContact O-N 3.19Å; I806-D810 PolarHBondContact O-N 3.46Å
807	G	97.8	Very high	96.6	Very high	35 Å²	35	47.6 Å²	47.6	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-36.4	178.5	0	0	0	0	0	113.1	K803 D804 S811	K803-G807 PolarHBondContact O-N 3.42Å; D804-G807 PolarHBondContact O-N 2.92Å; G807-S811 WeakPolarHBondContact O-CB 3.37Å; G807-S811 PolarHBondContact O-N 3.46Å; G807-S811 PolarHBondContact O-OG 2.96Å
808	A	97.9	Very high	96.4	Very high	37 Å²	37	47 Å²	47	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-69.1	-38.1	171.9	0	0	0	0	0	112.4	K715 D804 V805 I806 K812	K715-A808 HydrophobicContact CB-CB 4.47Å; K715-A808 HydrophobicContact CD-CB 3.79Å; K715-A808 HydrophobicContact CG-CB 3.83Å; D804-A808 WeakPolarHBondContact O-CB 3.3Å; D804-A808 PolarHBondContact O-N 3.39Å; V805-A808 PolarHBondContact O-N 3.22Å; I806-A808 VanDerWaalsContact C-N 3.34Å; I806-A808 PolarHBondContact O-N 3.49Å; A808-K812 WeakPolarHBondContact O-CB 3.36Å; A808-K812 PolarHBondContact O-N 2.71Å
809	V	98	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-46.7	173.7	168.2	0	0	0	0	111.2	L25 C722 I771 V805 I806 S811 K812 V813	L25-V809 HydrophobicContact CD1-CG1 4.35Å; C722-V809 HydrophobicContact CB-CG1 4.29Å; I771-V809 HydrophobicContact CD1-CG2 4.02Å; V805-V809 WeakPolarHBondContact O-CG2 3.22Å; V805-V809 PolarHBondContact O-N 2.96Å; I806-V809 PolarHBondContact O-N 3.19Å; V809-S811 PolarHBondContact O-N 2.86Å; V809-K812 CarbonylContact O-C 3.55Å; V809-K812 WeakPolarHBondContact O-CA 3.45Å; V809-K812 WeakPolarHBondContact O-CB 3.24Å; V809-K812 PolarHBondContact O-N 2.81Å; V809-V813 WeakPolarHBondContact O-CG2 3.36Å; V809-V813 PolarHBondContact O-N 3.29Å
810	D	95.7	Very high	95.9	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-46.5	176.1	-173.9	69.8	0	0	0	111.7	I806 K812 V813 A814	I806-D810 PolarHBondContact O-N 3.46Å; D810-K812 PolarHBondContact O-N 3.02Å; D810-V813 WeakPolarHBondContact O-CB 3.36Å; D810-V813 PolarHBondContact O-N 2.87Å; D810-V813 VanDerWaalsContact O-N 3.08Å; D810-A814 PolarHBondContact O-N 3.46Å
811	S	94.8	Very high	95.7	Very high	72 Å²	72	56.9 Å²	56.9	50%	0.503	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-31.2	173.2	-59.2	0	0	0	0	112.9	G807 V809 S815	G807-S811 WeakPolarHBondContact O-CB 3.37Å; G807-S811 PolarHBondContact O-N 3.46Å; G807-S811 PolarHBondContact O-OG 2.96Å; V809-S811 PolarHBondContact O-N 2.86Å; S811-S815 WeakPolarHBondContact O-CB 3.43Å; S811-S815 PolarHBondContact O-N 2.87Å; S811-S815 VanDerWaalsContact O-N 3.15Å; S811-S815 PolarHBondContact O-OG 2.74Å
812	K	94.2	Very high	95.6	Very high	106 Å²	106	55.6 Å²	55.6	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-75.6	-39	174.4	-156.8	73.6	170	-165.3	0	111.9	A808 V809 D810 S815 Y816	A808-K812 WeakPolarHBondContact O-CB 3.36Å; A808-K812 PolarHBondContact O-N 2.71Å; V809-K812 CarbonylContact O-C 3.55Å; V809-K812 WeakPolarHBondContact O-CA 3.45Å; V809-K812 WeakPolarHBondContact O-CB 3.24Å; V809-K812 PolarHBondContact O-N 2.81Å; D810-K812 PolarHBondContact O-N 3.02Å; K812-S815 CarbonylContact O-C 3.6Å; K812-S815 WeakPolarHBondContact O-CB 3.33Å; K812-S815 PolarHBondContact O-N 2.97Å; K812-Y816 HydrophobicContact CG-CD2 4.22Å; K812-Y816 HydrophobicContact CG-CE2 4.28Å; K812-Y816 WeakPolarHBondContact O-CD2 3.39Å; K812-Y816 PolarHBondContact O-N 3.39Å
813	V	94.1	Very high	95.5	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-53	172.8	175	0	0	0	0	110	V23 L25 C722 V809 D810 S815 Y816 E817	V23-V813 HydrophobicContact CG2-CG1 4.42Å; L25-V813 HydrophobicContact CD1-CG2 3.89Å; C722-V813 HydrophobicContact CB-CG2 3.57Å; V809-V813 WeakPolarHBondContact O-CG2 3.36Å; V809-V813 PolarHBondContact O-N 3.29Å; D810-V813 WeakPolarHBondContact O-CB 3.36Å; D810-V813 PolarHBondContact O-N 2.87Å; D810-V813 VanDerWaalsContact O-N 3.08Å; V813-S815 PolarHBondContact O-N 2.8Å; V813-Y816 WeakPolarHBondContact O-CA 3.38Å; V813-Y816 WeakPolarHBondContact O-CB 3.47Å; V813-Y816 PolarHBondContact O-N 2.72Å; V813-E817 PolarHBondContact O-N 2.97Å
814	A	92.8	Very high	95.3	Very high	38 Å²	38	59.1 Å²	59.1	31%	0.314	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-32.4	176.5	0	0	0	0	0	112.8	D810 K818	D810-A814 PolarHBondContact O-N 3.46Å; A814-K818 WeakPolarHBondContact O-CG 3.24Å; A814-K818 PolarHBondContact O-N 3.35Å
815	S	93.1	Very high	95.3	Very high	53 Å²	53	55 Å²	55	37%	0.371	29%	0.293	S	S	.	.	H	α-helix	trans	-70.8	-35.3	173.1	-62.3	0	0	0	0	113	S811 K812 V813 K819	S811-S815 WeakPolarHBondContact O-CB 3.43Å; S811-S815 PolarHBondContact O-N 2.87Å; S811-S815 VanDerWaalsContact O-N 3.15Å; S811-S815 PolarHBondContact O-OG 2.74Å; K812-S815 CarbonylContact O-C 3.6Å; K812-S815 WeakPolarHBondContact O-CB 3.33Å; K812-S815 PolarHBondContact O-N 2.97Å; V813-S815 PolarHBondContact O-N 2.8Å; S815-K819 PolarHBondContact O-N 2.93Å; S815-K819 VanDerWaalsContact O-N 3.12Å
816	Y	92.5	Very high	95.2	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.184	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-42	173.4	-98.2	-85.5	0	0	0	111.9	G719 K720 G723 Q724 K812 V813 K818 K819 V820	G719-Y816 WeakPolarHBondContact O-CE2 3.49Å; K720-Y816 HydrophobicContact CB-CE2 4.49Å; K720-Y816 WeakPolarHBondContact CG-OH 3.35Å; G723-Y816 WeakPolarHBondContact O-CB 3.43Å; Q724-Y816 HydrophobicContact CG-CD1 4.28Å; Q724-Y816 HydrophobicContact CG-CE1 3.96Å; K812-Y816 HydrophobicContact CG-CD2 4.22Å; K812-Y816 HydrophobicContact CG-CE2 4.28Å; K812-Y816 WeakPolarHBondContact O-CD2 3.39Å; K812-Y816 PolarHBondContact O-N 3.39Å; V813-Y816 WeakPolarHBondContact O-CA 3.38Å; V813-Y816 WeakPolarHBondContact O-CB 3.47Å; V813-Y816 PolarHBondContact O-N 2.72Å; Y816-K818 VanDerWaalsContact C-N 3.35Å; Y816-K818 PolarHBondContact O-N 2.99Å; Y816-K819 WeakPolarHBondContact O-CA 3.47Å; Y816-K819 WeakPolarHBondContact O-CB 3.41Å; Y816-K819 PolarHBondContact O-N 3.21Å; Y816-V820 WeakPolarHBondContact O-CG2 3.34Å; Y816-V820 PolarHBondContact O-N 2.86Å
817	E	91.6	Very high	95.1	Very high	98 Å²	98	59.1 Å²	59.1	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-46.9	174.9	-69.4	178.1	156	0	0	111.2	V813 K819 V820 R821	V813-E817 PolarHBondContact O-N 2.97Å; E817-K819 VanDerWaalsContact C-N 3.29Å; E817-K819 PolarHBondContact O-N 2.95Å; E817-V820 PolarHBondContact O-N 3.09Å; E817-R821 WeakPolarHBondContact O-CB 3.11Å; E817-R821 PolarHBondContact O-N 3.44Å
818	K	94.8	Very high	95.1	Very high	91 Å²	91	60.6 Å²	60.6	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-33.1	174.2	-68.5	-174.4	-165.4	-167.1	0	113	A814 Y816 L822 L853 V854	A814-K818 WeakPolarHBondContact O-CG 3.24Å; A814-K818 PolarHBondContact O-N 3.35Å; Y816-K818 VanDerWaalsContact C-N 3.35Å; Y816-K818 PolarHBondContact O-N 2.99Å; K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 PolarHBondContact O-N 3.4Å; K818-L853 HydrophobicContact CB-CB 4.26Å; K818-L853 HydrophobicContact CB-CD2 4.4Å; K818-L853 VanDerWaalsContact CD-O 3.27Å; K818-L853 WeakPolarHBondContact CD-O 3.38Å; K818-V854 WeakPolarHBondContact CE-O 3.45Å; K818-V854 PolarHBondContact NZ-O 2.81Å
819	K	94.3	Very high	95	Very high	148 Å²	148	59 Å²	59	64%	0.643	30%	0.299	S	S	*	.	H	α-helix	trans	-69.3	-42.5	174.1	-175.5	178.7	178.3	179	0	112.2	S815 Y816 E817 L822 N823	S815-K819 PolarHBondContact O-N 2.93Å; S815-K819 VanDerWaalsContact O-N 3.12Å; Y816-K819 WeakPolarHBondContact O-CA 3.47Å; Y816-K819 WeakPolarHBondContact O-CB 3.41Å; Y816-K819 PolarHBondContact O-N 3.21Å; E817-K819 VanDerWaalsContact C-N 3.29Å; E817-K819 PolarHBondContact O-N 2.95Å; K819-L822 PolarHBondContact O-N 2.86Å; K819-N823 PolarHBondContact O-N 2.82Å
820	V	92.4	Very high	94.9	Very high	47 Å²	47	60.4 Å²	60.4	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-48	174.3	173.8	0	0	0	0	109.8	Q727 Y816 E817 L822 N823 E824	Q727-V820 HydrophobicContact CG-CG2 4.43Å; Y816-V820 WeakPolarHBondContact O-CG2 3.34Å; Y816-V820 PolarHBondContact O-N 2.86Å; E817-V820 PolarHBondContact O-N 3.09Å; V820-L822 VanDerWaalsContact C-N 3.35Å; V820-L822 PolarHBondContact O-N 3.27Å; V820-N823 CarbonylContact O-C 3.55Å; V820-N823 WeakPolarHBondContact O-CA 3.4Å; V820-N823 WeakPolarHBondContact O-CB 3.45Å; V820-N823 PolarHBondContact O-N 2.96Å; V820-E824 PolarHBondContact O-N 3.29Å
821	R	95.3	Very high	94.9	Very high	78 Å²	78	60.5 Å²	60.5	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-42	177.9	-178.4	55.2	-180	168	2.9	112.8	E817 N823 E824 I825 L853 D856	E817-R821 WeakPolarHBondContact O-CB 3.11Å; E817-R821 PolarHBondContact O-N 3.44Å; R821-N823 VanDerWaalsContact C-N 3.29Å; R821-N823 PolarHBondContact O-N 2.76Å; R821-E824 WeakPolarHBondContact CD-OE2 3.23Å; R821-E824 IonicContact CZ-OE2 3.94Å; R821-E824 IonicContact NE-OE2 2.79Å; R821-E824 IonicContact NH1-OE2 3.6Å; R821-E824 PolarHBondContact NH1-OE2 3.35Å; R821-E824 WeakPolarHBondContact O-CB 3.07Å; R821-E824 PolarHBondContact O-N 3.4Å; R821-I825 HydrophobicContact CG-CD1 4.3Å; R821-I825 WeakPolarHBondContact O-CG1 3.35Å; R821-I825 PolarHBondContact O-N 2.7Å; R821-I825 VanDerWaalsContact O-N 3.09Å; R821-L853 HydrophobicContact CB-CD2 3.91Å; R821-L853 HydrophobicContact CG-CD2 3.66Å; R821-D856 VanDerWaalsContact CG-OD1 3.29Å; R821-D856 WeakPolarHBondContact CG-OD1 3.27Å; R821-D856 IonicContact CZ-OD2 2.66Å; R821-D856 VanDerWaalsContact CZ-OD2 3.28Å; R821-D856 IonicContact NE-OD1 2.83Å; R821-D856 PolarHBondContact NE-OD1 2.94Å; R821-D856 IonicContact NE-OD2 2.75Å; R821-D856 PolarHBondContact NE-OD2 3Å; R821-D856 IonicContact NH2-OD2 3.47Å; R821-D856 PolarHBondContact NH2-OD2 3.2Å
822	L	96.9	Very high	94.8	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-35.6	173.9	-173.8	55.8	0	0	0	112	K818 K819 V820 I825 Y826 K851 L853 L876	K818-L822 WeakPolarHBondContact O-CB 3.33Å; K818-L822 PolarHBondContact O-N 3.4Å; K819-L822 PolarHBondContact O-N 2.86Å; V820-L822 VanDerWaalsContact C-N 3.35Å; V820-L822 PolarHBondContact O-N 3.27Å; L822-I825 PolarHBondContact O-N 2.71Å; L822-Y826 VanDerWaalsContact O-CB 3.26Å; L822-Y826 WeakPolarHBondContact O-CB 3.48Å; L822-Y826 PolarHBondContact O-N 2.93Å; L822-K851 HydrophobicContact CD2-CB 4.44Å; L822-K851 WeakPolarHBondContact CD2-O 3.31Å; L822-L853 HydrophobicContact CB-CB 4.04Å; L822-L853 HydrophobicContact CB-CD2 4.44Å; L822-L853 HydrophobicContact CD2-CB 4.24Å; L822-L876 HydrophobicContact CD1-CD2 3.89Å; L822-L876 HydrophobicContact CD2-CD2 4.34Å
823	N	95.5	Very high	94.8	Very high	89 Å²	89	61.6 Å²	61.6	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-34.9	175.5	-174.2	73.4	0	0	0	112.7	K819 V820 R821 T827	K819-N823 PolarHBondContact O-N 2.82Å; V820-N823 CarbonylContact O-C 3.55Å; V820-N823 WeakPolarHBondContact O-CA 3.4Å; V820-N823 WeakPolarHBondContact O-CB 3.45Å; V820-N823 PolarHBondContact O-N 2.96Å; R821-N823 VanDerWaalsContact C-N 3.29Å; R821-N823 PolarHBondContact O-N 2.76Å; N823-T827 WeakPolarHBondContact O-CB 3.48Å; N823-T827 WeakPolarHBondContact O-CG2 3.26Å; N823-T827 PolarHBondContact O-N 2.72Å; N823-T827 PolarHBondContact O-OG1 3.26Å
824	E	95.4	Very high	94.9	Very high	90 Å²	90	65.5 Å²	65.5	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-48.3	168.9	-64.2	168.1	-172.3	0	0	111.3	V820 R821 T827 K828	V820-E824 PolarHBondContact O-N 3.29Å; R821-E824 WeakPolarHBondContact CD-OE2 3.23Å; R821-E824 IonicContact CZ-OE2 3.94Å; R821-E824 IonicContact NE-OE2 2.79Å; R821-E824 IonicContact NH1-OE2 3.6Å; R821-E824 PolarHBondContact NH1-OE2 3.35Å; R821-E824 WeakPolarHBondContact O-CB 3.07Å; R821-E824 PolarHBondContact O-N 3.4Å; E824-T827 WeakPolarHBondContact CA-OG1 3.41Å; E824-T827 PolarHBondContact O-N 2.96Å; E824-T827 PolarHBondContact O-OG1 3.19Å; E824-T827 VanDerWaalsContact O-OG1 3.04Å; E824-K828 VanDerWaalsContact O-CB 3.26Å; E824-K828 WeakPolarHBondContact O-CB 3.47Å; E824-K828 PolarHBondContact O-N 3.42Å
825	I	96.8	Very high	95	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-47.7	179.3	-66.1	165	0	0	0	110.3	R821 L822 K828 T829 D856 V874 L883 Y890	R821-I825 HydrophobicContact CG-CD1 4.3Å; R821-I825 WeakPolarHBondContact O-CG1 3.35Å; R821-I825 PolarHBondContact O-N 2.7Å; R821-I825 VanDerWaalsContact O-N 3.09Å; L822-I825 PolarHBondContact O-N 2.71Å; I825-K828 PolarHBondContact O-N 3.04Å; I825-T829 WeakPolarHBondContact O-CB 3.37Å; I825-T829 PolarHBondContact O-N 2.73Å; I825-T829 PolarHBondContact O-OG1 3.48Å; I825-D856 HydrophobicContact CD1-CB 4.04Å; I825-V874 HydrophobicContact CD1-CG1 4.25Å; I825-V874 HydrophobicContact CD1-CG2 4.2Å; I825-V874 HydrophobicContact CG2-CG2 4.32Å; I825-L883 HydrophobicContact CG2-CD1 3.42Å; I825-L883 VanDerWaalsContact CG2-CD1 3.42Å; I825-Y890 HydrophobicContact CB-CE2 4.49Å; I825-Y890 HydrophobicContact CG1-CE2 4.25Å; I825-Y890 HydrophobicContact CG2-CD2 4.15Å; I825-Y890 HydrophobicContact CG2-CE2 4.31Å
826	Y	96.9	Very high	95	Very high	30 Å²	30	70.3 Å²	70.3	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-48.4	175.5	157.4	-97.2	0	0	0	111.6	L822 T829 K845 E846 K849	L822-Y826 VanDerWaalsContact O-CB 3.26Å; L822-Y826 WeakPolarHBondContact O-CB 3.48Å; L822-Y826 PolarHBondContact O-N 2.93Å; Y826-T829 PolarHBondContact O-N 2.81Å; Y826-K845 HydrophobicContact CD2-CG 3.95Å; Y826-K845 WeakPolarHBondContact CD2-O 3.26Å; Y826-K845 HydrophobicContact CE2-CD 4.46Å; Y826-K845 HydrophobicContact CE2-CG 3.92Å; Y826-K845 PolarHBondContact O-NZ 3.27Å; Y826-E846 WeakPolarHBondContact CE2-OE1 3.47Å; Y826-E846 PolarHBondContact OH-OE1 2.73Å; Y826-E846 PolarHBondContact OH-OE2 2.95Å; Y826-K849 HydrophobicContact CD2-CB 4.08Å; Y826-K849 HydrophobicContact CE2-CB 3.96Å; Y826-K849 HydrophobicContact CE2-CD 4.05Å; Y826-K849 HydrophobicContact CE2-CG 4.19Å; Y826-K849 PolarHBondContact OH-NZ 3.18Å
827	T	96.5	Very high	95	Very high	82 Å²	82	68.6 Å²	68.6	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-41.6	-179.8	46.5	0	0	0	0	112	N823 E824 T829 K845	N823-T827 WeakPolarHBondContact O-CB 3.48Å; N823-T827 WeakPolarHBondContact O-CG2 3.26Å; N823-T827 PolarHBondContact O-N 2.72Å; N823-T827 PolarHBondContact O-OG1 3.26Å; E824-T827 WeakPolarHBondContact CA-OG1 3.41Å; E824-T827 PolarHBondContact O-N 2.96Å; E824-T827 PolarHBondContact O-OG1 3.19Å; E824-T827 VanDerWaalsContact O-OG1 3.04Å; T827-T829 VanDerWaalsContact C-N 3.29Å; T827-T829 PolarHBondContact O-N 2.97Å; T827-K845 PolarHBondContact O-NZ 3.06Å
828	K	96.6	Very high	94.8	Very high	67 Å²	67	66.9 Å²	66.9	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-68.4	-20.7	175.6	-170.1	172.4	-177.9	-173.9	0	114	E824 I825 E885 Q888 K889 Y890	E824-K828 VanDerWaalsContact O-CB 3.26Å; E824-K828 WeakPolarHBondContact O-CB 3.47Å; E824-K828 PolarHBondContact O-N 3.42Å; I825-K828 PolarHBondContact O-N 3.04Å; K828-E885 WeakPolarHBondContact CE-OE1 3.47Å; K828-E885 IonicContact NZ-OE1 2.84Å; K828-E885 PolarHBondContact NZ-OE1 3.34Å; K828-E885 IonicContact NZ-OE2 3.8Å; K828-E885 PolarHBondContact NZ-OE2 2.94Å; K828-Q888 WeakPolarHBondContact CE-O 3.45Å; K828-K889 CarbonylContact O-C 3.59Å; K828-K889 VanDerWaalsContact O-CA 3.32Å; K828-K889 WeakPolarHBondContact O-CA 3.36Å; K828-K889 WeakPolarHBondContact O-CB 3.4Å; K828-Y890 HydrophobicContact CB-CD2 3.93Å; K828-Y890 HydrophobicContact CB-CE2 4.29Å; K828-Y890 HydrophobicContact CD-CD2 3.9Å; K828-Y890 HydrophobicContact CD-CE2 3.68Å; K828-Y890 HydrophobicContact CD-CG 4.41Å; K828-Y890 HydrophobicContact CG-CD2 3.87Å; K828-Y890 HydrophobicContact CG-CE2 4.17Å; K828-Y890 HydrophobicContact CG-CG 4.29Å; K828-Y890 PolarHBondContact O-N 3.46Å
829	T	97.3	Very high	94.4	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-71.7	131.5	177.7	-60.1	0	0	0	0	111.7	I825 Y826 T827 K845 L848 Y890	I825-T829 WeakPolarHBondContact O-CB 3.37Å; I825-T829 PolarHBondContact O-N 2.73Å; I825-T829 PolarHBondContact O-OG1 3.48Å; Y826-T829 PolarHBondContact O-N 2.81Å; T827-T829 VanDerWaalsContact C-N 3.29Å; T827-T829 PolarHBondContact O-N 2.97Å; T829-K845 HydrophobicContact CG2-CB 4.31Å; T829-K845 HydrophobicContact CG2-CG 4.4Å; T829-K845 PolarHBondContact O-NZ 2.84Å; T829-L848 HydrophobicContact CG2-CD1 4.4Å; T829-Y890 CarbonylContact C-O 3.5Å; T829-Y890 WeakPolarHBondContact CA-O 3.34Å
830	D	96.2	Very high	94.1	Very high	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.318	C	S	.	.			trans	-73	135	180	-164.9	53.5	0	0	0	112.2	K832 S833 K889 Y890 I891	D830-K832 PolarHBondContact O-N 3.27Å; D830-K832 WeakPolarHBondContact OD2-CB 3.15Å; D830-K832 PolarHBondContact OD2-N 3.41Å; D830-S833 WeakPolarHBondContact O-CB 3.29Å; D830-S833 PolarHBondContact O-N 2.86Å; D830-S833 VanDerWaalsContact O-N 3.09Å; D830-K889 HydrophobicContact CB-CB 4.41Å; D830-K889 HydrophobicContact CB-CD 3.81Å; D830-K889 VanDerWaalsContact OD1-CD 3.27Å; D830-K889 WeakPolarHBondContact OD1-CD 3.46Å; D830-K889 WeakPolarHBondContact OD1-CE 3.36Å; D830-K889 IonicContact OD1-NZ 2.95Å; D830-K889 PolarHBondContact OD1-NZ 2.66Å; D830-Y890 PolarHBondContact N-O 3.13Å; D830-I891 HydrophobicContact CB-CG2 4.25Å
831	S	94.1	Very high	94.1	Very high	85 Å²	85	64.3 Å²	64.3	59%	0.594	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.4	-176.8	51.5	0	0	0	0	114.1	S833	S831-S833 VanDerWaalsContact C-N 3.31Å
832	K	93.5	Very high	94	Very high	184 Å²	184	65.3 Å²	65.3	80%	0.8	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.8	174.2	-54.7	-175.4	-180	-173.8	0	113	D830	D830-K832 PolarHBondContact O-N 3.27Å; D830-K832 WeakPolarHBondContact OD2-CB 3.15Å; D830-K832 PolarHBondContact OD2-N 3.41Å
833	S	94.7	Very high	94	Very high	17 Å²	17	65 Å²	65	12%	0.119	34%	0.336	C	S	.	.			trans	-84.6	124.9	178.9	-155.8	0	0	0	0	110.4	D830 S831 I891 F892	D830-S833 WeakPolarHBondContact O-CB 3.29Å; D830-S833 PolarHBondContact O-N 2.86Å; D830-S833 VanDerWaalsContact O-N 3.09Å; S831-S833 VanDerWaalsContact C-N 3.31Å; S833-I891 WeakPolarHBondContact OG-CA 3.39Å; S833-I891 WeakPolarHBondContact OG-CB 3.45Å; S833-F892 WeakPolarHBondContact O-CE2 3.41Å; S833-F892 WeakPolarHBondContact OG-CD2 3.46Å; S833-F892 PolarHBondContact OG-N 2.99Å
834	I	94.9	Very high	94	Very high	89 Å²	89	62 Å²	62	46%	0.456	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.2	177.7	-49.4	178.3	0	0	0	107.3	M842 F843 A844	I834-M842 HydrophobicContact CG2-CB 3.98Å; I834-M842 HydrophobicContact CG2-CE 3.88Å; I834-F843 WeakPolarHBondContact CA-O 3.47Å; I834-F843 WeakPolarHBondContact CG2-O 3.38Å; I834-A844 HydrophobicContact CG1-CB 4.31Å; I834-A844 HydrophobicContact CG2-CB 4.44Å
835	M	95.6	Very high	94	Very high	31 Å²	31	59.2 Å²	59.2	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.5	175.4	-176	51.5	56.5	0	0	110.2	F843 F892 A893 T900 V901	M835-F843 PolarHBondContact N-O 3.49Å; M835-F843 PolarHBondContact O-N 2.96Å; M835-F892 HydrophobicContact CB-CB 3.83Å; M835-F892 HydrophobicContact CB-CD1 4.24Å; M835-F892 HydrophobicContact CB-CD2 4.2Å; M835-F892 HydrophobicContact CB-CG 3.83Å; M835-F892 HydrophobicContact CE-CB 3.8Å; M835-F892 HydrophobicContact CG-CB 4.5Å; M835-A893 WeakPolarHBondContact CE-O 3.4Å; M835-T900 WeakPolarHBondContact CE-OG1 3.43Å; M835-V901 HydrophobicContact CB-CB 4.41Å; M835-V901 HydrophobicContact CB-CG2 3.72Å; M835-V901 HydrophobicContact CG-CB 4.08Å; M835-V901 HydrophobicContact CG-CG2 3.78Å
836	R	94.1	Very high	93.9	Very high	160 Å²	160	63 Å²	63	60%	0.604	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.2	168.1	-174.7	174.2	-72	174	-2.2	108.6	M842 S899	R836-M842 HydrophobicContact CB-SD 3.82Å; R836-M842 HydrophobicContact CG-SD 4.05Å; R836-S899 PolarHBondContact O-OG 3.49Å
837	M	91.9	Very high	93.8	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.059	33%	0.331	C	S	.	.			trans	-85.3	162.8	172.6	-61.9	-178.9	64.1	0	0	110.7	S839 G840 Q841 F843 I879 V901	M837-S839 PolarHBondContact O-N 2.83Å; M837-S839 VanDerWaalsContact O-N 3.11Å; M837-G840 PolarHBondContact O-N 3.41Å; M837-Q841 WeakPolarHBondContact CB-O 3.22Å; M837-Q841 PolarHBondContact N-O 3.16Å; M837-Q841 HydrophobicContact SD-CB 4.49Å; M837-Q841 HydrophobicContact SD-CG 4.49Å; M837-F843 HydrophobicContact CG-CB 4.1Å; M837-F843 HydrophobicContact SD-CB 4.04Å; M837-F843 HydrophobicContact SD-CD2 4.02Å; M837-F843 HydrophobicContact SD-CG 4.41Å; M837-I879 HydrophobicContact CE-CD1 4.03Å; M837-I879 HydrophobicContact CE-CG1 4.43Å; M837-V901 HydrophobicContact CE-CG1 4.05Å; M837-V901 HydrophobicContact CG-CB 4.01Å; M837-V901 HydrophobicContact CG-CG1 3.66Å; M837-V901 HydrophobicContact SD-CG1 3.76Å
838	K	86.4	Confident	93.7	Very high	61 Å²	61	59.2 Å²	59.2	27%	0.265	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-41.2	173.8	-104.5	-60.6	-160.1	-158.2	0	113.6	G840 S899 M926 D928 E930	K838-G840 PolarHBondContact O-N 3.4Å; K838-G840 VanDerWaalsContact O-N 3.11Å; K838-S899 PolarHBondContact N-OG 3.4Å; K838-S899 VanDerWaalsContact N-OG 3.12Å; K838-M926 HydrophobicContact CB-SD 4.29Å; K838-M926 HydrophobicContact CD-SD 4.09Å; K838-D928 VanDerWaalsContact CE-O 3.23Å; K838-D928 WeakPolarHBondContact CE-O 3.04Å; K838-D928 PolarHBondContact NZ-O 3.31Å; K838-E930 WeakPolarHBondContact CD-OE1 3.42Å; K838-E930 VanDerWaalsContact CE-CD 3.49Å; K838-E930 WeakPolarHBondContact CE-OE1 3.4Å; K838-E930 IonicContact NZ-OE1 2.73Å; K838-E930 PolarHBondContact NZ-OE1 3.42Å
839	S	86.9	Confident	93.4	Very high	81 Å²	81	62 Å²	62	57%	0.566	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	1.5	178.8	54.5	0	0	0	0	115.1	M837 Q841	M837-S839 PolarHBondContact O-N 2.83Å; M837-S839 VanDerWaalsContact O-N 3.11Å; S839-Q841 PolarHBondContact O-N 3.24Å; S839-Q841 WeakPolarHBondContact OG-CB 3.35Å
840	G	87.7	Confident	93	Very high	42 Å²	42	71 Å²	71	43%	0.433	35%	0.353	S	S	.	.	S	Bend	trans	79.1	-14.9	-171.1	0	0	0	0	0	114.1	M837 K838 M842	M837-G840 PolarHBondContact O-N 3.41Å; K838-G840 PolarHBondContact O-N 3.4Å; K838-G840 VanDerWaalsContact O-N 3.11Å; G840-M842 PolarHBondContact O-N 3.35Å
841	Q	91.9	Very high	92.9	Very high	109 Å²	109	72.6 Å²	72.6	51%	0.509	36%	0.358	S	S	.	.			trans	-58.4	134.5	175.8	-178.6	175.1	-2.1	0	0	111	M837 S839	M837-Q841 WeakPolarHBondContact CB-O 3.22Å; M837-Q841 PolarHBondContact N-O 3.16Å; M837-Q841 HydrophobicContact SD-CB 4.49Å; M837-Q841 HydrophobicContact SD-CG 4.49Å; S839-Q841 PolarHBondContact O-N 3.24Å; S839-Q841 WeakPolarHBondContact OG-CB 3.35Å
842	M	95	Very high	92.9	Very high	99 Å²	99	74.9 Å²	74.9	49%	0.488	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.8	170.4	-55.3	-65.1	-78.3	0	0	108.8	I834 R836 G840	I834-M842 HydrophobicContact CG2-CB 3.98Å; I834-M842 HydrophobicContact CG2-CE 3.88Å; R836-M842 HydrophobicContact CB-SD 3.82Å; R836-M842 HydrophobicContact CG-SD 4.05Å; G840-M842 PolarHBondContact O-N 3.35Å
843	F	95.7	Very high	93.1	Very high	3 Å²	3	66.3 Å²	66.3	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.8	179.8	-172.5	-83	0	0	0	109.6	I834 M835 M837 D847 L848 I879 V881 F892 V901	I834-F843 WeakPolarHBondContact CA-O 3.47Å; I834-F843 WeakPolarHBondContact CG2-O 3.38Å; M835-F843 PolarHBondContact N-O 3.49Å; M835-F843 PolarHBondContact O-N 2.96Å; M837-F843 HydrophobicContact CG-CB 4.1Å; M837-F843 HydrophobicContact SD-CB 4.04Å; M837-F843 HydrophobicContact SD-CD2 4.02Å; M837-F843 HydrophobicContact SD-CG 4.41Å; F843-D847 HydrophobicContact CD1-CB 4.46Å; F843-D847 HydrophobicContact CD2-CB 3.86Å; F843-D847 HydrophobicContact CE1-CB 4.2Å; F843-D847 HydrophobicContact CE2-CB 3.56Å; F843-D847 HydrophobicContact CG-CB 4.3Å; F843-D847 HydrophobicContact CZ-CB 3.75Å; F843-L848 HydrophobicContact CE1-CD2 3.8Å; F843-L848 HydrophobicContact CE1-CG 4.05Å; F843-L848 HydrophobicContact CZ-CD2 3.95Å; F843-L848 HydrophobicContact CZ-CG 4.36Å; F843-I879 HydrophobicContact CD2-CD1 4.22Å; F843-I879 HydrophobicContact CE2-CD1 3.76Å; F843-V881 HydrophobicContact CE1-CG2 4.36Å; F843-V881 HydrophobicContact CZ-CG2 4.5Å; F843-F892 AromaticContact CD1-CE1 3.7Å; F843-F892 HydrophobicContact CD1-CE1 3.7Å; F843-F892 AromaticContact CD1-CZ 3.6Å; F843-F892 HydrophobicContact CD1-CZ 3.6Å; F843-F892 AromaticContact CE1-CE1 3.85Å; F843-F892 HydrophobicContact CE1-CE1 3.85Å; F843-F892 AromaticContact CE1-CZ 3.86Å; F843-F892 HydrophobicContact CE1-CZ 3.86Å; F843-V901 HydrophobicContact CB-CB 4.49Å; F843-V901 HydrophobicContact CB-CG1 3.98Å; F843-V901 HydrophobicContact CB-CG2 4.37Å; F843-V901 HydrophobicContact CD1-CG1 3.96Å; F843-V901 HydrophobicContact CD1-CG2 3.87Å; F843-V901 HydrophobicContact CD2-CG1 3.9Å; F843-V901 HydrophobicContact CE1-CG1 4.43Å; F843-V901 HydrophobicContact CE1-CG2 4.48Å; F843-V901 HydrophobicContact CE2-CG1 4.37Å; F843-V901 HydrophobicContact CG-CG1 3.69Å; F843-V901 HydrophobicContact CG-CG2 4.26Å
844	A	95.7	Very high	93.2	Very high	28 Å²	28	66.7 Å²	66.7	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	177.3	-172.7	0	0	0	0	0	112.7	I834 E846 D847	I834-A844 HydrophobicContact CG1-CB 4.31Å; I834-A844 HydrophobicContact CG2-CB 4.44Å; A844-E846 VanDerWaalsContact C-N 3.3Å; A844-E846 PolarHBondContact O-N 3.15Å; A844-D847 PolarHBondContact N-OD2 2.66Å; A844-D847 PolarHBondContact O-N 2.96Å; A844-D847 VanDerWaalsContact O-N 3.09Å
845	K	95.4	Very high	93.3	Very high	31 Å²	31	66 Å²	66	14%	0.135	31%	0.313	C	S	.	.	H	α-helix	trans	-46.2	-48.5	175.9	178.7	-166.4	175.1	74.8	0	113.1	Y826 T827 T829 D847 L848	Y826-K845 HydrophobicContact CD2-CG 3.95Å; Y826-K845 WeakPolarHBondContact CD2-O 3.26Å; Y826-K845 HydrophobicContact CE2-CD 4.46Å; Y826-K845 HydrophobicContact CE2-CG 3.92Å; Y826-K845 PolarHBondContact O-NZ 3.27Å; T827-K845 PolarHBondContact O-NZ 3.06Å; T829-K845 HydrophobicContact CG2-CB 4.31Å; T829-K845 HydrophobicContact CG2-CG 4.4Å; T829-K845 PolarHBondContact O-NZ 2.84Å; K845-D847 PolarHBondContact O-N 3.46Å; K845-L848 WeakPolarHBondContact O-CB 3.37Å; K845-L848 PolarHBondContact O-N 2.9Å
846	E	95.8	Very high	93.4	Very high	80 Å²	80	66.4 Å²	66.4	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-67.5	-19.8	-175.6	-64.5	-51.5	115.1	0	0	113.8	Y826 A844 K849	Y826-E846 WeakPolarHBondContact CE2-OE1 3.47Å; Y826-E846 PolarHBondContact OH-OE1 2.73Å; Y826-E846 PolarHBondContact OH-OE2 2.95Å; A844-E846 VanDerWaalsContact C-N 3.3Å; A844-E846 PolarHBondContact O-N 3.15Å; E846-K849 VanDerWaalsContact O-CB 3.24Å; E846-K849 WeakPolarHBondContact O-CB 3.47Å; E846-K849 PolarHBondContact O-N 2.94Å; E846-K849 WeakPolarHBondContact OE2-CD 3.26Å; E846-K849 IonicContact OE2-NZ 3.9Å; E846-K849 PolarHBondContact OE2-NZ 3.04Å
847	D	94.7	Very high	93.6	Very high	32 Å²	32	59.4 Å²	59.4	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-74.1	-28.7	178.8	-61	-52.5	0	0	0	112.4	F843 A844 K845 K849 R850 K851	F843-D847 HydrophobicContact CD1-CB 4.46Å; F843-D847 HydrophobicContact CD2-CB 3.86Å; F843-D847 HydrophobicContact CE1-CB 4.2Å; F843-D847 HydrophobicContact CE2-CB 3.56Å; F843-D847 HydrophobicContact CG-CB 4.3Å; F843-D847 HydrophobicContact CZ-CB 3.75Å; A844-D847 PolarHBondContact N-OD2 2.66Å; A844-D847 PolarHBondContact O-N 2.96Å; A844-D847 VanDerWaalsContact O-N 3.09Å; K845-D847 PolarHBondContact O-N 3.46Å; D847-K849 PolarHBondContact O-N 3.42Å; D847-R850 PolarHBondContact O-N 3.36Å; D847-R850 IonicContact OD1-CZ 3.49Å; D847-R850 IonicContact OD1-NH2 3.79Å; D847-R850 PolarHBondContact OD1-NH2 2.9Å; D847-K851 VanDerWaalsContact O-CG 3.22Å; D847-K851 WeakPolarHBondContact O-CG 3.39Å
848	L	94.1	Very high	93.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-35.2	172	-63.9	171.6	0	0	0	112.2	T829 F843 K845 R850 K851 L876 V881	T829-L848 HydrophobicContact CG2-CD1 4.4Å; F843-L848 HydrophobicContact CE1-CD2 3.8Å; F843-L848 HydrophobicContact CE1-CG 4.05Å; F843-L848 HydrophobicContact CZ-CD2 3.95Å; F843-L848 HydrophobicContact CZ-CG 4.36Å; K845-L848 WeakPolarHBondContact O-CB 3.37Å; K845-L848 PolarHBondContact O-N 2.9Å; L848-R850 PolarHBondContact O-N 2.81Å; L848-K851 WeakPolarHBondContact O-CB 3.38Å; L848-K851 PolarHBondContact O-N 2.82Å; L848-K851 VanDerWaalsContact O-N 3.14Å; L848-L876 HydrophobicContact CD2-CD1 4.1Å; L848-V881 HydrophobicContact CD2-CG2 4.37Å
849	K	89.9	Confident	94.4	Very high	125 Å²	125	58 Å²	58	54%	0.543	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.2	-173.4	-165.5	-175.4	-166.5	168.7	0	113.8	Y826 E846 D847	Y826-K849 HydrophobicContact CD2-CB 4.08Å; Y826-K849 HydrophobicContact CE2-CB 3.96Å; Y826-K849 HydrophobicContact CE2-CD 4.05Å; Y826-K849 HydrophobicContact CE2-CG 4.19Å; Y826-K849 PolarHBondContact OH-NZ 3.18Å; E846-K849 VanDerWaalsContact O-CB 3.24Å; E846-K849 WeakPolarHBondContact O-CB 3.47Å; E846-K849 PolarHBondContact O-N 2.94Å; E846-K849 WeakPolarHBondContact OE2-CD 3.26Å; E846-K849 IonicContact OE2-NZ 3.9Å; E846-K849 PolarHBondContact OE2-NZ 3.04Å; D847-K849 PolarHBondContact O-N 3.42Å
850	R	88.2	Confident	94.9	Very high	192 Å²	192	57.2 Å²	57.2	73%	0.725	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1.6	-178.3	-67.7	178.4	-76.4	-149.7	1.3	113.3	D847 L848	D847-R850 PolarHBondContact O-N 3.36Å; D847-R850 IonicContact OD1-CZ 3.49Å; D847-R850 IonicContact OD1-NH2 3.79Å; D847-R850 PolarHBondContact OD1-NH2 2.9Å; L848-R850 PolarHBondContact O-N 2.81Å
851	K	94.4	Very high	95.4	Very high	63 Å²	63	55.2 Å²	55.2	27%	0.274	26%	0.258	S	S	.	.	S	Bend	trans	-101	167.4	-173.2	-59.8	-76.1	179.5	-175.4	0	111.5	L822 D847 L848 L876 D878	L822-K851 HydrophobicContact CD2-CB 4.44Å; L822-K851 WeakPolarHBondContact CD2-O 3.31Å; D847-K851 VanDerWaalsContact O-CG 3.22Å; D847-K851 WeakPolarHBondContact O-CG 3.39Å; L848-K851 WeakPolarHBondContact O-CB 3.38Å; L848-K851 PolarHBondContact O-N 2.82Å; L848-K851 VanDerWaalsContact O-N 3.14Å; K851-L876 HydrophobicContact CB-CB 4.38Å; K851-L876 HydrophobicContact CB-CD1 3.85Å; K851-L876 HydrophobicContact CB-CD2 4.19Å; K851-L876 HydrophobicContact CB-CG 4.36Å; K851-L876 HydrophobicContact CD-CD1 4.47Å; K851-L876 HydrophobicContact CG-CD1 3.92Å; K851-D878 WeakPolarHBondContact CD-OD1 3.47Å; K851-D878 IonicContact NZ-OD1 3.21Å; K851-D878 PolarHBondContact NZ-OD1 2.85Å; K851-D878 IonicContact NZ-OD2 2.99Å; K851-D878 PolarHBondContact NZ-OD2 3.26Å
852	K	95.2	Very high	95.6	Very high	133 Å²	133	52 Å²	52	58%	0.578	24%	0.243	S	C	*	.			trans	-114	121.9	174	-178.8	178.4	173.5	-168.4	0	109	L876 T877	K852-L876 CarbonylContact O-C 3.59Å; K852-L876 VanDerWaalsContact O-CA 3.29Å; K852-L876 WeakPolarHBondContact O-CA 3.21Å; K852-T877 HydrophobicContact CB-CG2 3.87Å; K852-T877 HydrophobicContact CD-CG2 3.98Å; K852-T877 HydrophobicContact CG-CG2 4.06Å; K852-T877 PolarHBondContact O-N 3.02Å
853	L	97.6	Very high	95.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.1	176.4	179.1	69	0	0	0	110.5	K818 R821 L822 D856 V874 L876	K818-L853 HydrophobicContact CB-CB 4.26Å; K818-L853 HydrophobicContact CB-CD2 4.4Å; K818-L853 VanDerWaalsContact CD-O 3.27Å; K818-L853 WeakPolarHBondContact CD-O 3.38Å; R821-L853 HydrophobicContact CB-CD2 3.91Å; R821-L853 HydrophobicContact CG-CD2 3.66Å; L822-L853 HydrophobicContact CB-CB 4.04Å; L822-L853 HydrophobicContact CB-CD2 4.44Å; L822-L853 HydrophobicContact CD2-CB 4.24Å; L853-D856 HydrophobicContact CD1-CB 4.3Å; L853-V874 HydrophobicContact CD1-CG1 3.65Å; L853-L876 HydrophobicContact CB-CD2 4.5Å; L853-L876 HydrophobicContact CD1-CD2 4.25Å
854	V	97.1	Very high	95.3	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-49.5	171.3	-178.9	0	0	0	0	110.1	K818 L875 T877 I948 T952	K818-V854 WeakPolarHBondContact CE-O 3.45Å; K818-V854 PolarHBondContact NZ-O 2.81Å; V854-L875 WeakPolarHBondContact CA-O 3.45Å; V854-L875 HydrophobicContact CB-CD2 4.21Å; V854-L875 HydrophobicContact CB-CG 4.1Å; V854-L875 WeakPolarHBondContact CB-O 3.49Å; V854-L875 HydrophobicContact CG1-CD2 4.11Å; V854-L875 PolarHBondContact N-O 2.79Å; V854-T877 HydrophobicContact CG2-CG2 3.9Å; V854-I948 HydrophobicContact CG1-CD1 4.06Å; V854-I948 HydrophobicContact CG1-CG1 3.82Å; V854-T952 HydrophobicContact CG2-CG2 4.11Å
855	R	97	Very high	95.1	Very high	76 Å²	76	56.2 Å²	56.2	29%	0.287	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.3	177.5	-176.8	-177.5	-67.9	172.6	0.1	111	L875 S944 W945 I948	R855-L875 PolarHBondContact N-O 2.92Å; R855-L875 PolarHBondContact O-N 2.92Å; R855-S944 PolarHBondContact NH1-O 3.4Å; R855-S944 PolarHBondContact NH1-OG 3Å; R855-S944 PolarHBondContact NH2-OG 3.38Å; R855-W945 HydrophobicContact CB-CH2 4.22Å; R855-W945 HydrophobicContact CB-CZ3 4.17Å; R855-W945 HydrophobicContact CG-CH2 3.73Å; R855-W945 HydrophobicContact CG-CZ2 4.27Å; R855-W945 HydrophobicContact CG-CZ3 4.03Å; R855-I948 VanDerWaalsContact NH1-CG2 3.35Å
856	D	97.7	Very high	94.9	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159.7	161.2	73.2	-71.6	0	0	0	112.5	R821 I825 L853 Q872 A873 V874	R821-D856 VanDerWaalsContact CG-OD1 3.29Å; R821-D856 WeakPolarHBondContact CG-OD1 3.27Å; R821-D856 IonicContact CZ-OD2 2.66Å; R821-D856 VanDerWaalsContact CZ-OD2 3.28Å; R821-D856 IonicContact NE-OD1 2.83Å; R821-D856 PolarHBondContact NE-OD1 2.94Å; R821-D856 IonicContact NE-OD2 2.75Å; R821-D856 PolarHBondContact NE-OD2 3Å; R821-D856 IonicContact NH2-OD2 3.47Å; R821-D856 PolarHBondContact NH2-OD2 3.2Å; I825-D856 HydrophobicContact CD1-CB 4.04Å; L853-D856 HydrophobicContact CD1-CB 4.3Å; D856-Q872 HydrophobicContact CB-CG 4.47Å; D856-Q872 PolarHBondContact OD2-NE2 3.44Å; D856-A873 CarbonylContact C-O 3.45Å; D856-A873 WeakPolarHBondContact CA-O 3.41Å; D856-A873 WeakPolarHBondContact CB-O 3.18Å; D856-V874 HydrophobicContact CB-CG2 4.23Å
857	G	97.4	Very high	94.8	Very high	13 Å²	13	62.3 Å²	62.3	13%	0.134	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	161.1	176.5	0	0	0	0	0	113.1	Q872 A873	G857-Q872 CarbonylContact O-C 3.51Å; G857-A873 PolarHBondContact N-O 2.59Å; G857-A873 PolarHBondContact O-N 3.26Å
858	S	97.5	Very high	94.8	Very high	42 Å²	42	64.9 Å²	64.9	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.5	178.2	-173.8	0	0	0	0	111.1	E870 V871	S858-E870 WeakPolarHBondContact OG-CG 3.4Å; S858-E870 PolarHBondContact OG-OE1 2.88Å; S858-V871 WeakPolarHBondContact CA-O 3.43Å
859	V	97.9	Very high	94.9	Very high	2 Å²	2	67 Å²	67	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	171.6	177	-59.7	0	0	0	0	109.6	V871 A873 F882 V934	V859-V871 HydrophobicContact CG2-CG2 3.74Å; V859-V871 PolarHBondContact N-O 2.94Å; V859-V871 PolarHBondContact O-N 2.8Å; V859-A873 HydrophobicContact CG1-CB 4.28Å; V859-A873 HydrophobicContact CG2-CB 3.75Å; V859-F882 HydrophobicContact CG2-CD1 4.19Å; V859-F882 HydrophobicContact CG2-CE1 4Å; V859-V934 HydrophobicContact CB-CG1 3.84Å; V859-V934 HydrophobicContact CG1-CG1 4.41Å; V859-V934 HydrophobicContact CG2-CG1 3.58Å
860	F	98.1	Very high	95.2	Very high	65 Å²	65	66.7 Å²	66.7	29%	0.285	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.1	176.6	-55.6	-91.3	0	0	0	110.6	L868 K869 E870 V934 H935	F860-L868 HydrophobicContact CB-CB 4.19Å; F860-L868 HydrophobicContact CB-CD2 4.03Å; F860-L868 HydrophobicContact CD1-CB 4.48Å; F860-K869 CarbonylContact C-O 3.55Å; F860-K869 WeakPolarHBondContact CA-O 3.39Å; F860-E870 HydrophobicContact CD1-CB 3.82Å; F860-E870 HydrophobicContact CD1-CG 4.22Å; F860-E870 HydrophobicContact CE1-CB 3.66Å; F860-E870 HydrophobicContact CE1-CG 3.79Å; F860-E870 HydrophobicContact CZ-CG 4.26Å; F860-V934 CarbonylContact O-C 3.59Å; F860-V934 WeakPolarHBondContact O-CA 3.36Å; F860-H935 HydrophobicContact CB-CB 4.19Å; F860-H935 PolarHBondContact N-O 3.22Å; F860-H935 PolarHBondContact O-N 3.47Å
861	L	97.3	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.8	165.7	-62.6	176.1	0	0	0	108.9	L868 K869 V871 F882 A893 L895 T900 V932 V934	L861-L868 CarbonylContact O-C 3.55Å; L861-L868 WeakPolarHBondContact O-CA 3.46Å; L861-K869 PolarHBondContact N-O 2.77Å; L861-K869 PolarHBondContact O-N 3.03Å; L861-V871 HydrophobicContact CD1-CG1 3.98Å; L861-V871 HydrophobicContact CD1-CG2 4.11Å; L861-V871 HydrophobicContact CD2-CG2 4.45Å; L861-V871 HydrophobicContact CG-CG1 4.29Å; L861-V871 HydrophobicContact CG-CG2 3.77Å; L861-F882 HydrophobicContact CD1-CB 4.03Å; L861-F882 HydrophobicContact CD1-CD2 4.49Å; L861-F882 HydrophobicContact CD1-CG 4.14Å; L861-F882 HydrophobicContact CD2-CD1 3.99Å; L861-F882 HydrophobicContact CD2-CD2 4.16Å; L861-F882 HydrophobicContact CD2-CE1 4.02Å; L861-F882 HydrophobicContact CD2-CE2 4.19Å; L861-F882 HydrophobicContact CD2-CG 4.05Å; L861-F882 HydrophobicContact CD2-CZ 4.12Å; L861-F882 HydrophobicContact CG-CG 4.48Å; L861-A893 HydrophobicContact CD1-CB 4.05Å; L861-L895 HydrophobicContact CB-CD1 4.05Å; L861-L895 HydrophobicContact CB-CD2 4.26Å; L861-L895 HydrophobicContact CD1-CB 4.38Å; L861-L895 HydrophobicContact CD1-CD2 4.26Å; L861-L895 HydrophobicContact CD2-CD2 4.5Å; L861-T900 HydrophobicContact CD1-CG2 4.26Å; L861-V932 HydrophobicContact CD2-CG1 3.91Å; L861-V934 HydrophobicContact CD2-CG1 4.41Å; L861-V934 HydrophobicContact CD2-CG2 3.91Å
862	K	96	Very high	95.8	Very high	41 Å²	41	56 Å²	56	18%	0.178	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.2	173.5	-164.8	-169.4	-172.4	-178.9	0	108.7	L868 E915 E933	K862-L868 HydrophobicContact CB-CD2 3.76Å; K862-L868 HydrophobicContact CG-CD2 3.91Å; K862-E915 IonicContact NZ-OE1 2.7Å; K862-E915 PolarHBondContact NZ-OE1 2.9Å; K862-E915 IonicContact NZ-OE2 2.67Å; K862-E915 PolarHBondContact NZ-OE2 3.14Å; K862-E933 HydrophobicContact CB-CB 4.25Å; K862-E933 HydrophobicContact CB-CG 4.39Å; K862-E933 HydrophobicContact CD-CG 4.29Å; K862-E933 WeakPolarHBondContact CD-OE1 3.45Å; K862-E933 WeakPolarHBondContact CD-OE2 3.31Å; K862-E933 WeakPolarHBondContact CE-OE1 3.41Å; K862-E933 PolarHBondContact N-O 3.4Å; K862-E933 IonicContact NZ-OE1 2.93Å; K862-E933 PolarHBondContact NZ-OE1 3.21Å; K862-E933 IonicContact NZ-OE2 3.03Å; K862-E933 PolarHBondContact NZ-OE2 2.82Å
863	N	93.6	Very high	96	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.219	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-90.5	168.9	179.7	106.4	-53.9	0	0	0	111.5	A865 G866 R867 L895 D896	N863-A865 PolarHBondContact O-N 2.57Å; N863-A865 VanDerWaalsContact O-N 3.09Å; N863-A865 WeakPolarHBondContact OD1-CA 3.31Å; N863-A865 WeakPolarHBondContact OD1-CB 3.45Å; N863-A865 PolarHBondContact OD1-N 2.82Å; N863-A865 VanDerWaalsContact OD1-N 3.08Å; N863-G866 WeakPolarHBondContact O-CA 3.31Å; N863-G866 PolarHBondContact O-N 2.81Å; N863-G866 PolarHBondContact OD1-N 3.49Å; N863-R867 PolarHBondContact N-O 2.78Å; N863-R867 VanDerWaalsContact OD1-CB 3.31Å; N863-R867 WeakPolarHBondContact OD1-CB 3.36Å; N863-R867 PolarHBondContact OD1-N 2.8Å; N863-L895 HydrophobicContact CB-CD1 3.68Å; N863-D896 WeakPolarHBondContact CA-OD2 3.46Å; N863-D896 WeakPolarHBondContact CB-OD1 3.32Å; N863-D896 VanDerWaalsContact CB-OD2 3.31Å; N863-D896 WeakPolarHBondContact CB-OD2 3.41Å; N863-D896 PolarHBondContact ND2-OD1 2.77Å
864	A	90.5	Very high	96	Very high	92 Å²	92	49.6 Å²	49.6	76%	0.76	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.4	-178.8	0	0	0	0	0	114.3	G866 D896	A864-G866 VanDerWaalsContact C-N 3.31Å; A864-D896 PolarHBondContact N-OD2 2.99Å
865	A	91.4	Very high	96.1	Very high	86 Å²	86	48.5 Å²	48.5	71%	0.711	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	14.6	171.7	0	0	0	0	0	113.2	N863 R867	N863-A865 PolarHBondContact O-N 2.57Å; N863-A865 VanDerWaalsContact O-N 3.09Å; N863-A865 WeakPolarHBondContact OD1-CA 3.31Å; N863-A865 WeakPolarHBondContact OD1-CB 3.45Å; N863-A865 PolarHBondContact OD1-N 2.82Å; N863-A865 VanDerWaalsContact OD1-N 3.08Å; A865-R867 PolarHBondContact O-N 2.87Å
866	G	90.5	Very high	96.1	Very high	45 Å²	45	44.9 Å²	44.9	46%	0.464	26%	0.255	S	S	.	.	S	Bend	trans	72.4	2.2	-179.2	0	0	0	0	0	115	N863 A864 L868	N863-G866 WeakPolarHBondContact O-CA 3.31Å; N863-G866 PolarHBondContact O-N 2.81Å; N863-G866 PolarHBondContact OD1-N 3.49Å; A864-G866 VanDerWaalsContact C-N 3.31Å; G866-L868 PolarHBondContact O-N 2.6Å
867	R	93.8	Very high	96	Very high	194 Å²	194	45.5 Å²	45.5	73%	0.732	26%	0.261	S	S	*	.			trans	-78	124.5	-176.8	-174.6	178.6	178.8	172.2	2.3	110.5	N863 A865	N863-R867 PolarHBondContact N-O 2.78Å; N863-R867 VanDerWaalsContact OD1-CB 3.31Å; N863-R867 WeakPolarHBondContact OD1-CB 3.36Å; N863-R867 PolarHBondContact OD1-N 2.8Å; A865-R867 PolarHBondContact O-N 2.87Å
868	L	95.1	Very high	95.9	Very high	85 Å²	85	46.7 Å²	46.7	45%	0.445	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.8	170.2	-65.6	177.2	0	0	0	111.4	F860 L861 K862 G866 H935	F860-L868 HydrophobicContact CB-CB 4.19Å; F860-L868 HydrophobicContact CB-CD2 4.03Å; F860-L868 HydrophobicContact CD1-CB 4.48Å; L861-L868 CarbonylContact O-C 3.55Å; L861-L868 WeakPolarHBondContact O-CA 3.46Å; K862-L868 HydrophobicContact CB-CD2 3.76Å; K862-L868 HydrophobicContact CG-CD2 3.91Å; G866-L868 PolarHBondContact O-N 2.6Å; L868-H935 HydrophobicContact CD2-CB 4.31Å
869	K	95.8	Very high	95.9	Very high	46 Å²	46	45.1 Å²	45.1	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.9	-179.2	177	177.5	177	171.5	0	109.8	F860 L861 V871 Q884 S894	F860-K869 CarbonylContact C-O 3.55Å; F860-K869 WeakPolarHBondContact CA-O 3.39Å; L861-K869 PolarHBondContact N-O 2.77Å; L861-K869 PolarHBondContact O-N 3.03Å; K869-V871 HydrophobicContact CG-CG1 4.5Å; K869-Q884 VanDerWaalsContact CE-CD 3.46Å; K869-S894 PolarHBondContact NZ-O 2.83Å; K869-S894 PolarHBondContact NZ-OG 2.71Å
870	E	96.8	Very high	95.9	Very high	118 Å²	118	45.1 Å²	45.1	55%	0.551	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.6	179.8	-165.3	171.3	-176.5	0	0	111.8	S858 F860	S858-E870 WeakPolarHBondContact OG-CG 3.4Å; S858-E870 PolarHBondContact OG-OE1 2.88Å; F860-E870 HydrophobicContact CD1-CB 3.82Å; F860-E870 HydrophobicContact CD1-CG 4.22Å; F860-E870 HydrophobicContact CE1-CB 3.66Å; F860-E870 HydrophobicContact CE1-CG 3.79Å; F860-E870 HydrophobicContact CZ-CG 4.26Å
871	V	97.9	Very high	95.9	Very high	3 Å²	3	42 Å²	42	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.8	179.5	-62.2	0	0	0	0	110.4	S858 V859 L861 K869 A873 F882 L883 Q884 A893	S858-V871 WeakPolarHBondContact CA-O 3.43Å; V859-V871 HydrophobicContact CG2-CG2 3.74Å; V859-V871 PolarHBondContact N-O 2.94Å; V859-V871 PolarHBondContact O-N 2.8Å; L861-V871 HydrophobicContact CD1-CG1 3.98Å; L861-V871 HydrophobicContact CD1-CG2 4.11Å; L861-V871 HydrophobicContact CD2-CG2 4.45Å; L861-V871 HydrophobicContact CG-CG1 4.29Å; L861-V871 HydrophobicContact CG-CG2 3.77Å; K869-V871 HydrophobicContact CG-CG1 4.5Å; V871-A873 PolarHBondContact O-N 3.33Å; V871-F882 HydrophobicContact CB-CB 4.35Å; V871-F882 HydrophobicContact CG2-CB 4.07Å; V871-F882 HydrophobicContact CG2-CD1 3.71Å; V871-F882 HydrophobicContact CG2-CG 4.27Å; V871-L883 CarbonylContact C-O 3.59Å; V871-L883 WeakPolarHBondContact CA-O 3.45Å; V871-L883 WeakPolarHBondContact CB-O 3.04Å; V871-Q884 HydrophobicContact CG1-CB 4.36Å; V871-A893 HydrophobicContact CG1-CB 3.64Å
872	Q	97.9	Very high	95.9	Very high	28 Å²	28	42.1 Å²	42.1	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.9	161.9	-163.3	72.8	0.7	0	0	108.8	D856 G857 V874 L883 Y890	D856-Q872 HydrophobicContact CB-CG 4.47Å; D856-Q872 PolarHBondContact OD2-NE2 3.44Å; G857-Q872 CarbonylContact O-C 3.51Å; Q872-V874 HydrophobicContact CG-CG2 4.09Å; Q872-L883 HydrophobicContact CB-CB 4.42Å; Q872-L883 PolarHBondContact N-O 2.94Å; Q872-L883 PolarHBondContact O-N 2.73Å; Q872-Y890 HydrophobicContact CB-CE1 4.15Å
873	A	98.3	Very high	96	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.1	162.3	0	0	0	0	0	109.3	D856 G857 V859 V871 F882 W945	D856-A873 CarbonylContact C-O 3.45Å; D856-A873 WeakPolarHBondContact CA-O 3.41Å; D856-A873 WeakPolarHBondContact CB-O 3.18Å; G857-A873 PolarHBondContact N-O 2.59Å; G857-A873 PolarHBondContact O-N 3.26Å; V859-A873 HydrophobicContact CG1-CB 4.28Å; V859-A873 HydrophobicContact CG2-CB 3.75Å; V871-A873 PolarHBondContact O-N 3.33Å; A873-F882 HydrophobicContact CB-CD1 3.98Å; A873-F882 HydrophobicContact CB-CE1 3.8Å; A873-W945 HydrophobicContact CB-CH2 3.9Å; A873-W945 HydrophobicContact CB-CZ2 4.03Å; A873-W945 HydrophobicContact CB-CZ3 4.5Å
874	V	98.4	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	96	179.7	-175	0	0	0	0	107.6	I825 L853 D856 Q872 L876 V881 L883	I825-V874 HydrophobicContact CD1-CG1 4.25Å; I825-V874 HydrophobicContact CD1-CG2 4.2Å; I825-V874 HydrophobicContact CG2-CG2 4.32Å; L853-V874 HydrophobicContact CD1-CG1 3.65Å; D856-V874 HydrophobicContact CB-CG2 4.23Å; Q872-V874 HydrophobicContact CG-CG2 4.09Å; V874-L876 HydrophobicContact CG1-CD2 3.95Å; V874-L876 HydrophobicContact CG1-CG 4.48Å; V874-V881 HydrophobicContact CB-CB 4.31Å; V874-V881 PolarHBondContact N-O 3.42Å; V874-V881 PolarHBondContact O-N 2.89Å; V874-L883 HydrophobicContact CG2-CD1 3.99Å; V874-L883 HydrophobicContact CG2-CG 4.39Å
875	L	98.4	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.4	176.1	-179	64.7	0	0	0	109.3	V854 R855 L880 L904 W945 I948 I949	V854-L875 WeakPolarHBondContact CA-O 3.45Å; V854-L875 HydrophobicContact CB-CD2 4.21Å; V854-L875 HydrophobicContact CB-CG 4.1Å; V854-L875 WeakPolarHBondContact CB-O 3.49Å; V854-L875 HydrophobicContact CG1-CD2 4.11Å; V854-L875 PolarHBondContact N-O 2.79Å; R855-L875 PolarHBondContact N-O 2.92Å; R855-L875 PolarHBondContact O-N 2.92Å; L875-L880 HydrophobicContact CB-CD1 4.08Å; L875-L880 HydrophobicContact CD1-CB 4.13Å; L875-L880 HydrophobicContact CD1-CD1 4.27Å; L875-L904 HydrophobicContact CD1-CD1 3.89Å; L875-L904 HydrophobicContact CD1-CD2 3.92Å; L875-L904 HydrophobicContact CD1-CG 4.48Å; L875-W945 HydrophobicContact CB-CZ3 4.07Å; L875-I948 HydrophobicContact CD2-CB 4.49Å; L875-I948 HydrophobicContact CD2-CG1 4.17Å; L875-I948 HydrophobicContact CD2-CG2 3.79Å; L875-I949 HydrophobicContact CD1-CG1 4.19Å; L875-I949 HydrophobicContact CD2-CG1 3.85Å
876	L	97.8	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	175.1	170.6	-48.1	170.6	0	0	0	108.8	L822 L848 K851 K852 L853 V874 D878 I879 V881	L822-L876 HydrophobicContact CD1-CD2 3.89Å; L822-L876 HydrophobicContact CD2-CD2 4.34Å; L848-L876 HydrophobicContact CD2-CD1 4.1Å; K851-L876 HydrophobicContact CB-CB 4.38Å; K851-L876 HydrophobicContact CB-CD1 3.85Å; K851-L876 HydrophobicContact CB-CD2 4.19Å; K851-L876 HydrophobicContact CB-CG 4.36Å; K851-L876 HydrophobicContact CD-CD1 4.47Å; K851-L876 HydrophobicContact CG-CD1 3.92Å; K852-L876 CarbonylContact O-C 3.59Å; K852-L876 VanDerWaalsContact O-CA 3.29Å; K852-L876 WeakPolarHBondContact O-CA 3.21Å; L853-L876 HydrophobicContact CB-CD2 4.5Å; L853-L876 HydrophobicContact CD1-CD2 4.25Å; V874-L876 HydrophobicContact CG1-CD2 3.95Å; V874-L876 HydrophobicContact CG1-CG 4.48Å; L876-D878 PolarHBondContact O-N 3.09Å; L876-I879 WeakPolarHBondContact CA-O 3.32Å; L876-I879 WeakPolarHBondContact CB-O 3.46Å; L876-I879 HydrophobicContact CD1-CB 4.45Å; L876-I879 PolarHBondContact N-O 3.4Å; L876-V881 HydrophobicContact CD1-CG2 4.04Å
877	T	96.3	Very high	96.6	Very high	52 Å²	52	45.6 Å²	45.6	32%	0.319	22%	0.215	S	C	.	.	S	Bend	trans	-64.2	-23.2	-179	38.7	0	0	0	0	115.1	K852 V854 T952	K852-T877 HydrophobicContact CB-CG2 3.87Å; K852-T877 HydrophobicContact CD-CG2 3.98Å; K852-T877 HydrophobicContact CG-CG2 4.06Å; K852-T877 PolarHBondContact O-N 3.02Å; V854-T877 HydrophobicContact CG2-CG2 3.9Å; T877-T952 WeakPolarHBondContact O-CG2 3.2Å
878	D	95.3	Very high	96.6	Very high	38 Å²	38	44.4 Å²	44.4	20%	0.203	22%	0.217	C	C	.	.	S	Bend	trans	-133.7	-10.7	-173.3	65.9	-44.3	0	0	0	114.1	K851 L876 L904 L956	K851-D878 WeakPolarHBondContact CD-OD1 3.47Å; K851-D878 IonicContact NZ-OD1 3.21Å; K851-D878 PolarHBondContact NZ-OD1 2.85Å; K851-D878 IonicContact NZ-OD2 2.99Å; K851-D878 PolarHBondContact NZ-OD2 3.26Å; L876-D878 PolarHBondContact O-N 3.09Å; D878-L904 PolarHBondContact O-N 3.14Å; D878-L956 HydrophobicContact CB-CD1 4.15Å; D878-L956 HydrophobicContact CB-CD2 4.45Å
879	I	96.2	Very high	96.7	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.8	-174	-65.4	175.4	0	0	0	109.7	M837 F843 L876 V881 V901 I902	M837-I879 HydrophobicContact CE-CD1 4.03Å; M837-I879 HydrophobicContact CE-CG1 4.43Å; F843-I879 HydrophobicContact CD2-CD1 4.22Å; F843-I879 HydrophobicContact CE2-CD1 3.76Å; L876-I879 WeakPolarHBondContact CA-O 3.32Å; L876-I879 WeakPolarHBondContact CB-O 3.46Å; L876-I879 HydrophobicContact CD1-CB 4.45Å; L876-I879 PolarHBondContact N-O 3.4Å; I879-V881 HydrophobicContact CG2-CG2 3.7Å; I879-V901 HydrophobicContact CG2-CG1 3.61Å; I879-I902 CarbonylContact C-O 3.45Å; I879-I902 VanDerWaalsContact CA-O 3.3Å; I879-I902 WeakPolarHBondContact CA-O 3.35Å; I879-I902 WeakPolarHBondContact CG2-O 3.22Å
880	L	97.8	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.2	165.1	176.2	54.3	0	0	0	109.6	L875 F882 I902 L904 L921 I949	L875-L880 HydrophobicContact CB-CD1 4.08Å; L875-L880 HydrophobicContact CD1-CB 4.13Å; L875-L880 HydrophobicContact CD1-CD1 4.27Å; L880-F882 HydrophobicContact CD1-CZ 4.4Å; L880-F882 HydrophobicContact CD2-CE2 4.3Å; L880-F882 HydrophobicContact CD2-CZ 3.89Å; L880-F882 HydrophobicContact CG-CE2 4.12Å; L880-F882 HydrophobicContact CG-CZ 3.99Å; L880-I902 PolarHBondContact N-O 2.85Å; L880-I902 PolarHBondContact O-N 3.02Å; L880-L904 HydrophobicContact CB-CD2 4.07Å; L880-L921 HydrophobicContact CD2-CD1 3.57Å; L880-L921 HydrophobicContact CD2-CD2 4.42Å; L880-I949 HydrophobicContact CD2-CD1 3.96Å
881	V	97.9	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.7	-178.6	179.9	0	0	0	0	109.9	F843 L848 V874 L876 I879 L883 F892 V901	F843-V881 HydrophobicContact CE1-CG2 4.36Å; F843-V881 HydrophobicContact CZ-CG2 4.5Å; L848-V881 HydrophobicContact CD2-CG2 4.37Å; V874-V881 HydrophobicContact CB-CB 4.31Å; V874-V881 PolarHBondContact N-O 3.42Å; V874-V881 PolarHBondContact O-N 2.89Å; L876-V881 HydrophobicContact CD1-CG2 4.04Å; I879-V881 HydrophobicContact CG2-CG2 3.7Å; V881-L883 HydrophobicContact CG1-CD2 3.73Å; V881-L883 HydrophobicContact CG1-CG 3.98Å; V881-F892 HydrophobicContact CG1-CD1 3.79Å; V881-F892 HydrophobicContact CG1-CE1 3.7Å; V881-V901 HydrophobicContact CG1-CG2 4.19Å; V881-V901 HydrophobicContact CG2-CG1 4.37Å; V881-V901 HydrophobicContact CG2-CG2 4.32Å
882	F	98.3	Very high	96.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.3	167.3	-59.5	-78.6	0	0	0	111.6	V859 L861 V871 A873 L880 A893 T900 I902 L921 V932 V934	V859-F882 HydrophobicContact CG2-CD1 4.19Å; V859-F882 HydrophobicContact CG2-CE1 4Å; L861-F882 HydrophobicContact CD1-CB 4.03Å; L861-F882 HydrophobicContact CD1-CD2 4.49Å; L861-F882 HydrophobicContact CD1-CG 4.14Å; L861-F882 HydrophobicContact CD2-CD1 3.99Å; L861-F882 HydrophobicContact CD2-CD2 4.16Å; L861-F882 HydrophobicContact CD2-CE1 4.02Å; L861-F882 HydrophobicContact CD2-CE2 4.19Å; L861-F882 HydrophobicContact CD2-CG 4.05Å; L861-F882 HydrophobicContact CD2-CZ 4.12Å; L861-F882 HydrophobicContact CG-CG 4.48Å; V871-F882 HydrophobicContact CB-CB 4.35Å; V871-F882 HydrophobicContact CG2-CB 4.07Å; V871-F882 HydrophobicContact CG2-CD1 3.71Å; V871-F882 HydrophobicContact CG2-CG 4.27Å; A873-F882 HydrophobicContact CB-CD1 3.98Å; A873-F882 HydrophobicContact CB-CE1 3.8Å; L880-F882 HydrophobicContact CD1-CZ 4.4Å; L880-F882 HydrophobicContact CD2-CE2 4.3Å; L880-F882 HydrophobicContact CD2-CZ 3.89Å; L880-F882 HydrophobicContact CG-CE2 4.12Å; L880-F882 HydrophobicContact CG-CZ 3.99Å; F882-A893 HydrophobicContact CB-CB 4.08Å; F882-A893 WeakPolarHBondContact O-CB 3.37Å; F882-A893 PolarHBondContact O-N 2.74Å; F882-T900 PolarHBondContact N-O 2.83Å; F882-I902 HydrophobicContact CE2-CD1 3.97Å; F882-L921 HydrophobicContact CE2-CD1 4Å; F882-L921 HydrophobicContact CZ-CD1 3.71Å; F882-V932 HydrophobicContact CE2-CG1 4.47Å; F882-V934 HydrophobicContact CE1-CG1 4.11Å; F882-V934 HydrophobicContact CE1-CG2 4.25Å; F882-V934 HydrophobicContact CZ-CG1 4.44Å; F882-V934 HydrophobicContact CZ-CG2 3.78Å
883	L	97.9	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.1	-179.8	-61	178.6	0	0	0	110.3	I825 V871 Q872 V874 V881 Y890 I891 F892	I825-L883 HydrophobicContact CG2-CD1 3.42Å; I825-L883 VanDerWaalsContact CG2-CD1 3.42Å; V871-L883 CarbonylContact C-O 3.59Å; V871-L883 WeakPolarHBondContact CA-O 3.45Å; V871-L883 WeakPolarHBondContact CB-O 3.04Å; Q872-L883 HydrophobicContact CB-CB 4.42Å; Q872-L883 PolarHBondContact N-O 2.94Å; Q872-L883 PolarHBondContact O-N 2.73Å; V874-L883 HydrophobicContact CG2-CD1 3.99Å; V874-L883 HydrophobicContact CG2-CG 4.39Å; V881-L883 HydrophobicContact CG1-CD2 3.73Å; V881-L883 HydrophobicContact CG1-CG 3.98Å; L883-Y890 HydrophobicContact CB-CD1 4.05Å; L883-Y890 HydrophobicContact CB-CG 4.06Å; L883-Y890 HydrophobicContact CD1-CD2 3.98Å; L883-Y890 HydrophobicContact CD1-CG 4.01Å; L883-I891 CarbonylContact C-O 3.58Å; L883-I891 WeakPolarHBondContact CA-O 3.47Å; L883-F892 HydrophobicContact CD2-CD1 3.64Å; L883-F892 HydrophobicContact CD2-CE1 3.88Å; L883-F892 HydrophobicContact CD2-CG 4.29Å
884	Q	96.8	Very high	96.4	Very high	51 Å²	51	42.9 Å²	42.9	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.9	168.4	-179.5	-178	-6.9	0	0	109.2	K869 V871 Y890 I891 A893	K869-Q884 VanDerWaalsContact CE-CD 3.46Å; V871-Q884 HydrophobicContact CG1-CB 4.36Å; Q884-Y890 WeakPolarHBondContact O-CA 3.33Å; Q884-I891 HydrophobicContact CB-CG1 4.08Å; Q884-I891 PolarHBondContact N-O 3.17Å; Q884-I891 PolarHBondContact O-N 3.35Å; Q884-A893 HydrophobicContact CB-CB 4.28Å
885	E	95.5	Very high	96.1	Very high	98 Å²	98	43.2 Å²	43.2	46%	0.458	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127	166	-175.8	147.1	179.2	0	0	110.5	K828 K889 Y890	K828-E885 WeakPolarHBondContact CE-OE1 3.47Å; K828-E885 IonicContact NZ-OE1 2.84Å; K828-E885 PolarHBondContact NZ-OE1 3.34Å; K828-E885 IonicContact NZ-OE2 3.8Å; K828-E885 PolarHBondContact NZ-OE2 2.94Å; E885-K889 WeakPolarHBondContact CA-O 3.29Å; E885-Y890 HydrophobicContact CB-CD1 4.16Å; E885-Y890 HydrophobicContact CB-CE1 4.11Å
886	K	94.1	Very high	95.6	Very high	102 Å²	102	46.3 Å²	46.3	44%	0.443	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	134.7	176.3	-169.2	-175.3	178.7	-82.2	0	109	Q888 K889 I891	K886-Q888 PolarHBondContact O-N 2.8Å; K886-K889 PolarHBondContact N-O 3.28Å; K886-K889 CarbonylContact O-C 3.56Å; K886-K889 PolarHBondContact O-N 3.15Å; K886-I891 HydrophobicContact CB-CD1 3.96Å; K886-I891 HydrophobicContact CB-CG1 4.33Å; K886-I891 HydrophobicContact CD-CD1 3.88Å
887	D	92.9	Very high	95	Very high	128 Å²	128	56.3 Å²	56.3	68%	0.684	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.7	177	-45.6	-34	0	0	0	113	K889	D887-K889 PolarHBondContact O-N 3.45Å; D887-K889 VanDerWaalsContact O-N 3.14Å
888	Q	93.9	Very high	94.6	Very high	168 Å²	168	56.8 Å²	56.8	79%	0.785	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	7.7	-173.7	-57.4	-176.3	-0.9	0	0	116.2	K828 K886	K828-Q888 WeakPolarHBondContact CE-O 3.45Å; K886-Q888 PolarHBondContact O-N 2.8Å
889	K	96.5	Very high	94.5	Very high	102 Å²	102	55.6 Å²	55.6	44%	0.443	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	164.7	173.6	-68	-176.2	177.5	176.1	0	111.5	K828 D830 E885 K886 D887	K828-K889 CarbonylContact O-C 3.59Å; K828-K889 VanDerWaalsContact O-CA 3.32Å; K828-K889 WeakPolarHBondContact O-CA 3.36Å; K828-K889 WeakPolarHBondContact O-CB 3.4Å; D830-K889 HydrophobicContact CB-CB 4.41Å; D830-K889 HydrophobicContact CB-CD 3.81Å; D830-K889 VanDerWaalsContact OD1-CD 3.27Å; D830-K889 WeakPolarHBondContact OD1-CD 3.46Å; D830-K889 WeakPolarHBondContact OD1-CE 3.36Å; D830-K889 IonicContact OD1-NZ 2.95Å; D830-K889 PolarHBondContact OD1-NZ 2.66Å; E885-K889 WeakPolarHBondContact CA-O 3.29Å; K886-K889 PolarHBondContact N-O 3.28Å; K886-K889 CarbonylContact O-C 3.56Å; K886-K889 PolarHBondContact O-N 3.15Å; D887-K889 PolarHBondContact O-N 3.45Å; D887-K889 VanDerWaalsContact O-N 3.14Å
890	Y	97.8	Very high	94.4	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.9	163.9	-70.7	-44.5	0	0	0	110.9	I825 K828 T829 D830 Q872 L883 Q884 E885	I825-Y890 HydrophobicContact CB-CE2 4.49Å; I825-Y890 HydrophobicContact CG1-CE2 4.25Å; I825-Y890 HydrophobicContact CG2-CD2 4.15Å; I825-Y890 HydrophobicContact CG2-CE2 4.31Å; K828-Y890 HydrophobicContact CB-CD2 3.93Å; K828-Y890 HydrophobicContact CB-CE2 4.29Å; K828-Y890 HydrophobicContact CD-CD2 3.9Å; K828-Y890 HydrophobicContact CD-CE2 3.68Å; K828-Y890 HydrophobicContact CD-CG 4.41Å; K828-Y890 HydrophobicContact CG-CD2 3.87Å; K828-Y890 HydrophobicContact CG-CE2 4.17Å; K828-Y890 HydrophobicContact CG-CG 4.29Å; K828-Y890 PolarHBondContact O-N 3.46Å; T829-Y890 CarbonylContact C-O 3.5Å; T829-Y890 WeakPolarHBondContact CA-O 3.34Å; D830-Y890 PolarHBondContact N-O 3.13Å; Q872-Y890 HydrophobicContact CB-CE1 4.15Å; L883-Y890 HydrophobicContact CB-CD1 4.05Å; L883-Y890 HydrophobicContact CB-CG 4.06Å; L883-Y890 HydrophobicContact CD1-CD2 3.98Å; L883-Y890 HydrophobicContact CD1-CG 4.01Å; Q884-Y890 WeakPolarHBondContact O-CA 3.33Å; E885-Y890 HydrophobicContact CB-CD1 4.16Å; E885-Y890 HydrophobicContact CB-CE1 4.11Å
891	I	97.3	Very high	94.3	Very high	43 Å²	43	55.2 Å²	55.2	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.2	167.2	59.9	174.7	0	0	0	108.5	D830 S833 L883 Q884 K886 A893	D830-I891 HydrophobicContact CB-CG2 4.25Å; S833-I891 WeakPolarHBondContact OG-CA 3.39Å; S833-I891 WeakPolarHBondContact OG-CB 3.45Å; L883-I891 CarbonylContact C-O 3.58Å; L883-I891 WeakPolarHBondContact CA-O 3.47Å; Q884-I891 HydrophobicContact CB-CG1 4.08Å; Q884-I891 PolarHBondContact N-O 3.17Å; Q884-I891 PolarHBondContact O-N 3.35Å; K886-I891 HydrophobicContact CB-CD1 3.96Å; K886-I891 HydrophobicContact CB-CG1 4.33Å; K886-I891 HydrophobicContact CD-CD1 3.88Å; I891-A893 PolarHBondContact O-N 3.47Å
892	F	97.3	Very high	94.2	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	131.2	172.6	-63.4	-74.8	0	0	0	110	S833 M835 F843 V881 L883 S894 V901	S833-F892 WeakPolarHBondContact O-CE2 3.41Å; S833-F892 WeakPolarHBondContact OG-CD2 3.46Å; S833-F892 PolarHBondContact OG-N 2.99Å; M835-F892 HydrophobicContact CB-CB 3.83Å; M835-F892 HydrophobicContact CB-CD1 4.24Å; M835-F892 HydrophobicContact CB-CD2 4.2Å; M835-F892 HydrophobicContact CB-CG 3.83Å; M835-F892 HydrophobicContact CE-CB 3.8Å; M835-F892 HydrophobicContact CG-CB 4.5Å; F843-F892 AromaticContact CD1-CE1 3.7Å; F843-F892 HydrophobicContact CD1-CE1 3.7Å; F843-F892 AromaticContact CD1-CZ 3.6Å; F843-F892 HydrophobicContact CD1-CZ 3.6Å; F843-F892 AromaticContact CE1-CE1 3.85Å; F843-F892 HydrophobicContact CE1-CE1 3.85Å; F843-F892 AromaticContact CE1-CZ 3.86Å; F843-F892 HydrophobicContact CE1-CZ 3.86Å; V881-F892 HydrophobicContact CG1-CD1 3.79Å; V881-F892 HydrophobicContact CG1-CE1 3.7Å; L883-F892 HydrophobicContact CD2-CD1 3.64Å; L883-F892 HydrophobicContact CD2-CE1 3.88Å; L883-F892 HydrophobicContact CD2-CG 4.29Å; F892-S894 PolarHBondContact O-N 2.75Å; F892-V901 HydrophobicContact CD1-CG2 3.66Å; F892-V901 HydrophobicContact CE1-CG2 3.81Å
893	A	96.3	Very high	94	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-69.3	133.1	-173	0	0	0	0	0	111.3	M835 L861 V871 F882 Q884 I891 T900	M835-A893 WeakPolarHBondContact CE-O 3.4Å; L861-A893 HydrophobicContact CD1-CB 4.05Å; V871-A893 HydrophobicContact CG1-CB 3.64Å; F882-A893 HydrophobicContact CB-CB 4.08Å; F882-A893 WeakPolarHBondContact O-CB 3.37Å; F882-A893 PolarHBondContact O-N 2.74Å; Q884-A893 HydrophobicContact CB-CB 4.28Å; I891-A893 PolarHBondContact O-N 3.47Å; A893-T900 HydrophobicContact CB-CG2 4.34Å; A893-T900 VanDerWaalsContact O-CB 3.29Å; A893-T900 WeakPolarHBondContact O-CB 3.03Å; A893-T900 WeakPolarHBondContact O-CG2 3.47Å; A893-T900 PolarHBondContact O-OG1 3.09Å
894	S	91.6	Very high	93.8	Very high	80 Å²	80	57.4 Å²	57.4	56%	0.559	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-84.1	134.2	165.7	51.2	0	0	0	0	111.5	K869 F892	K869-S894 PolarHBondContact NZ-O 2.83Å; K869-S894 PolarHBondContact NZ-OG 2.71Å; F892-S894 PolarHBondContact O-N 2.75Å
895	L	92.3	Very high	93.5	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-146	101.4	175.5	-178.5	70.8	0	0	0	109.6	L861 N863 Q897 K898 T900 V932	L861-L895 HydrophobicContact CB-CD1 4.05Å; L861-L895 HydrophobicContact CB-CD2 4.26Å; L861-L895 HydrophobicContact CD1-CB 4.38Å; L861-L895 HydrophobicContact CD1-CD2 4.26Å; L861-L895 HydrophobicContact CD2-CD2 4.5Å; N863-L895 HydrophobicContact CB-CD1 3.68Å; L895-Q897 PolarHBondContact O-N 3.03Å; L895-K898 WeakPolarHBondContact O-CB 3.46Å; L895-K898 PolarHBondContact O-N 2.93Å; L895-T900 HydrophobicContact CB-CG2 3.9Å; L895-V932 HydrophobicContact CD2-CB 4.49Å; L895-V932 HydrophobicContact CD2-CG1 3.79Å; L895-V932 HydrophobicContact CD2-CG2 4.26Å
896	D	88.1	Confident	93.2	Very high	66 Å²	66	62 Å²	62	35%	0.353	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	39.5	171.3	-47	-33.9	0	0	0	115.7	N863 A864 K898	N863-D896 WeakPolarHBondContact CA-OD2 3.46Å; N863-D896 WeakPolarHBondContact CB-OD1 3.32Å; N863-D896 VanDerWaalsContact CB-OD2 3.31Å; N863-D896 WeakPolarHBondContact CB-OD2 3.41Å; N863-D896 PolarHBondContact ND2-OD1 2.77Å; A864-D896 PolarHBondContact N-OD2 2.99Å; D896-K898 PolarHBondContact O-N 2.76Å; D896-K898 VanDerWaalsContact O-N 3.14Å
897	Q	84.3	Confident	93.2	Very high	209 Å²	209	57.6 Å²	57.6	98%	0.977	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	3.5	-174.5	-50.1	-176	12.2	0	0	116.4	L895	L895-Q897 PolarHBondContact O-N 3.03Å
898	K	89.4	Confident	93.3	Very high	63 Å²	63	54.6 Å²	54.6	27%	0.274	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-74.8	156.8	175	-57.5	177.6	-178.2	173.3	0	112.4	L895 D896 T900 E930 M931 V932	L895-K898 WeakPolarHBondContact O-CB 3.46Å; L895-K898 PolarHBondContact O-N 2.93Å; D896-K898 PolarHBondContact O-N 2.76Å; D896-K898 VanDerWaalsContact O-N 3.14Å; K898-T900 PolarHBondContact O-N 2.75Å; K898-E930 WeakPolarHBondContact CA-OE2 3.48Å; K898-E930 HydrophobicContact CB-CG 4.39Å; K898-E930 WeakPolarHBondContact CB-OE2 3.43Å; K898-E930 HydrophobicContact CG-CG 4.18Å; K898-M931 PolarHBondContact NZ-O 3.47Å; K898-V932 HydrophobicContact CD-CG2 4.28Å
899	S	91.5	Very high	93.4	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.091	23%	0.234	C	C	.	.			trans	-72.2	121	175	-56.1	0	0	0	0	111	R836 K838 I902 E930	R836-S899 PolarHBondContact O-OG 3.49Å; K838-S899 PolarHBondContact N-OG 3.4Å; K838-S899 VanDerWaalsContact N-OG 3.12Å; S899-I902 WeakPolarHBondContact O-CG1 3.43Å; S899-E930 PolarHBondContact N-OE2 3.21Å
900	T	94.4	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-102.1	4.8	172.7	58.8	0	0	0	0	113.9	M835 L861 F882 A893 L895 K898	M835-T900 WeakPolarHBondContact CE-OG1 3.43Å; L861-T900 HydrophobicContact CD1-CG2 4.26Å; F882-T900 PolarHBondContact N-O 2.83Å; A893-T900 HydrophobicContact CB-CG2 4.34Å; A893-T900 VanDerWaalsContact O-CB 3.29Å; A893-T900 WeakPolarHBondContact O-CB 3.03Å; A893-T900 WeakPolarHBondContact O-CG2 3.47Å; A893-T900 PolarHBondContact O-OG1 3.09Å; L895-T900 HydrophobicContact CB-CG2 3.9Å; K898-T900 PolarHBondContact O-N 2.75Å
901	V	96.4	Very high	93.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.8	159	175.6	0	0	0	0	106	M835 M837 F843 I879 V881 F892	M835-V901 HydrophobicContact CB-CB 4.41Å; M835-V901 HydrophobicContact CB-CG2 3.72Å; M835-V901 HydrophobicContact CG-CB 4.08Å; M835-V901 HydrophobicContact CG-CG2 3.78Å; M837-V901 HydrophobicContact CE-CG1 4.05Å; M837-V901 HydrophobicContact CG-CB 4.01Å; M837-V901 HydrophobicContact CG-CG1 3.66Å; M837-V901 HydrophobicContact SD-CG1 3.76Å; F843-V901 HydrophobicContact CB-CB 4.49Å; F843-V901 HydrophobicContact CB-CG1 3.98Å; F843-V901 HydrophobicContact CB-CG2 4.37Å; F843-V901 HydrophobicContact CD1-CG1 3.96Å; F843-V901 HydrophobicContact CD1-CG2 3.87Å; F843-V901 HydrophobicContact CD2-CG1 3.9Å; F843-V901 HydrophobicContact CE1-CG1 4.43Å; F843-V901 HydrophobicContact CE1-CG2 4.48Å; F843-V901 HydrophobicContact CE2-CG1 4.37Å; F843-V901 HydrophobicContact CG-CG1 3.69Å; F843-V901 HydrophobicContact CG-CG2 4.26Å; I879-V901 HydrophobicContact CG2-CG1 3.61Å; V881-V901 HydrophobicContact CG1-CG2 4.19Å; V881-V901 HydrophobicContact CG2-CG1 4.37Å; V881-V901 HydrophobicContact CG2-CG2 4.32Å; F892-V901 HydrophobicContact CD1-CG2 3.66Å; F892-V901 HydrophobicContact CE1-CG2 3.81Å
902	I	95.3	Very high	93.3	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.9	-168.4	-55.6	179.4	0	0	0	108.5	I879 L880 F882 S899 L907 L921 S923 V932	I879-I902 CarbonylContact C-O 3.45Å; I879-I902 VanDerWaalsContact CA-O 3.3Å; I879-I902 WeakPolarHBondContact CA-O 3.35Å; I879-I902 WeakPolarHBondContact CG2-O 3.22Å; L880-I902 PolarHBondContact N-O 2.85Å; L880-I902 PolarHBondContact O-N 3.02Å; F882-I902 HydrophobicContact CE2-CD1 3.97Å; S899-I902 WeakPolarHBondContact O-CG1 3.43Å; I902-L907 HydrophobicContact CG2-CD1 3.76Å; I902-L907 HydrophobicContact CG2-CD2 4.16Å; I902-L921 HydrophobicContact CD1-CD1 4.27Å; I902-S923 WeakPolarHBondContact CG2-OG 3.37Å; I902-V932 HydrophobicContact CD1-CB 4.3Å; I902-V932 HydrophobicContact CD1-CG2 4.08Å
903	S	94.2	Very high	93	Very high	43 Å²	43	56 Å²	56	30%	0.301	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.1	171.5	-174.6	0	0	0	0	110.4	K905	S903-K905 VanDerWaalsContact C-N 3.26Å; S903-K905 PolarHBondContact OG-N 2.9Å
904	L	94.9	Very high	92.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-74.6	-17.6	174.9	-61.2	-178.1	0	0	0	112.4	L875 D878 L880 K906 L907 I949 T952 I953 L956	L875-L904 HydrophobicContact CD1-CD1 3.89Å; L875-L904 HydrophobicContact CD1-CD2 3.92Å; L875-L904 HydrophobicContact CD1-CG 4.48Å; D878-L904 PolarHBondContact O-N 3.14Å; L880-L904 HydrophobicContact CB-CD2 4.07Å; L904-K906 PolarHBondContact O-N 2.83Å; L904-L907 HydrophobicContact CD2-CD2 3.59Å; L904-L907 VanDerWaalsContact O-CB 3.3Å; L904-L907 WeakPolarHBondContact O-CB 3.32Å; L904-L907 PolarHBondContact O-N 2.87Å; L904-L907 VanDerWaalsContact O-N 3.15Å; L904-I949 HydrophobicContact CD2-CG2 4.22Å; L904-T952 HydrophobicContact CD1-CG2 3.47Å; L904-T952 VanDerWaalsContact CD1-CG2 3.47Å; L904-I953 HydrophobicContact CB-CG1 3.97Å; L904-I953 HydrophobicContact CD2-CG1 4.37Å; L904-L956 HydrophobicContact CB-CD2 3.86Å
905	K	90.2	Very high	92.7	Very high	98 Å²	98	65 Å²	65	43%	0.426	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	124	175.5	-63.4	-163.5	178.4	-151.9	0	110.6	S903 L907 L956 E960	S903-K905 VanDerWaalsContact C-N 3.26Å; S903-K905 PolarHBondContact OG-N 2.9Å; K905-L907 PolarHBondContact O-N 2.86Å; K905-L956 HydrophobicContact CG-CD2 3.89Å; K905-E960 WeakPolarHBondContact CE-OE1 3.36Å; K905-E960 VanDerWaalsContact CE-OE2 3.31Å; K905-E960 WeakPolarHBondContact CE-OE2 3.1Å; K905-E960 IonicContact NZ-OE1 2.86Å; K905-E960 PolarHBondContact NZ-OE1 2.75Å; K905-E960 IonicContact NZ-OE2 2.72Å; K905-E960 PolarHBondContact NZ-OE2 3.47Å
906	K	88.4	Confident	92.8	Very high	148 Å²	148	70.1 Å²	70.1	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	28	-176	-54.5	-178.5	179	-179.1	0	113.7	L904 M924	L904-K906 PolarHBondContact O-N 2.83Å; K906-M924 HydrophobicContact CB-CB 4.34Å; K906-M924 WeakPolarHBondContact O-CB 3.34Å; K906-M924 PolarHBondContact O-N 2.85Å
907	L	94.4	Very high	93.2	Very high	9 Å²	9	72 Å²	72	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.8	172.1	-173.2	62.3	0	0	0	110.1	I902 L904 K905 L921 I949 I953	I902-L907 HydrophobicContact CG2-CD1 3.76Å; I902-L907 HydrophobicContact CG2-CD2 4.16Å; L904-L907 HydrophobicContact CD2-CD2 3.59Å; L904-L907 VanDerWaalsContact O-CB 3.3Å; L904-L907 WeakPolarHBondContact O-CB 3.32Å; L904-L907 PolarHBondContact O-N 2.87Å; L904-L907 VanDerWaalsContact O-N 3.15Å; K905-L907 PolarHBondContact O-N 2.86Å; L907-L921 HydrophobicContact CD1-CB 4.24Å; L907-L921 HydrophobicContact CD2-CD2 4.46Å; L907-I949 HydrophobicContact CD2-CG2 4.34Å; L907-I953 HydrophobicContact CB-CD1 4.09Å; L907-I953 HydrophobicContact CD2-CD1 4.38Å; L907-I953 HydrophobicContact CG-CD1 4.38Å
908	I	93.9	Very high	93.8	Very high	65 Å²	65	62 Å²	62	33%	0.333	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.4	172.4	-59.3	-177.9	0	0	0	108.9	R910 I922 M924	I908-R910 HydrophobicContact CG2-CG 4.07Å; I908-I922 HydrophobicContact CB-CB 4.34Å; I908-I922 PolarHBondContact N-O 3.26Å; I908-I922 PolarHBondContact O-N 3.01Å; I908-M924 HydrophobicContact CD1-CG 3.59Å; I908-M924 HydrophobicContact CD1-SD 4.33Å; I908-M924 HydrophobicContact CG1-CG 3.91Å
909	V	96.7	Very high	94.2	Very high	12 Å²	12	59.3 Å²	59.3	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.8	175.2	-168.8	0	0	0	0	109.5	L919 F920 L921 I946 I949 Q950 I953	V909-L919 HydrophobicContact CG1-CD1 4.23Å; V909-F920 WeakPolarHBondContact CA-O 3.4Å; V909-L921 HydrophobicContact CG1-CD2 4.15Å; V909-L921 HydrophobicContact CG2-CD2 3.98Å; V909-I946 HydrophobicContact CG1-CB 4.18Å; V909-I946 HydrophobicContact CG1-CD1 4.48Å; V909-I946 HydrophobicContact CG1-CG1 3.79Å; V909-I946 HydrophobicContact CG1-CG2 4.01Å; V909-I949 HydrophobicContact CG2-CB 4.18Å; V909-I949 HydrophobicContact CG2-CG2 3.57Å; V909-Q950 HydrophobicContact CB-CG 4.37Å; V909-Q950 HydrophobicContact CG2-CG 4.44Å; V909-I953 HydrophobicContact CG2-CD1 4.09Å
910	R	96.2	Very high	94.4	Very high	154 Å²	154	60.6 Å²	60.6	58%	0.581	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.4	177.5	-66.9	-173.1	176.1	-172.4	-1.9	111.8	I908 L919 F920	I908-R910 HydrophobicContact CG2-CG 4.07Å; R910-L919 CarbonylContact O-C 3.6Å; R910-L919 VanDerWaalsContact O-CA 3.26Å; R910-L919 WeakPolarHBondContact O-CA 3.5Å; R910-L919 WeakPolarHBondContact O-CB 3.31Å; R910-F920 PolarHBondContact N-O 3.19Å; R910-F920 PolarHBondContact O-N 2.67Å
911	E	97.1	Very high	94.5	Very high	116 Å²	116	60.6 Å²	60.6	54%	0.542	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.3	168.6	-47.4	-158.5	169.5	0	0	111.1	R942 I946	E911-R942 IonicContact OE1-CZ 2.74Å; E911-R942 IonicContact OE1-NH1 2.71Å; E911-R942 PolarHBondContact OE1-NH1 2.74Å; E911-R942 IonicContact OE2-CZ 3.72Å; E911-R942 IonicContact OE2-NH1 2.66Å; E911-R942 PolarHBondContact OE2-NH1 2.77Å; E911-R942 IonicContact OE2-NH2 2.76Å; E911-R942 PolarHBondContact OE2-NH2 3.48Å; E911-I946 HydrophobicContact CG-CD1 3.96Å
912	V	96.1	Very high	94.4	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.067	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-83	124.1	166.6	-177.3	0	0	0	0	108.8	H914 E915 G918 F920 E933	V912-H914 PolarHBondContact O-N 3.43Å; V912-E915 HydrophobicContact CB-CB 4.12Å; V912-E915 HydrophobicContact CG1-CB 3.74Å; V912-E915 HydrophobicContact CG1-CG 4.05Å; V912-E915 PolarHBondContact O-N 2.67Å; V912-G918 VanDerWaalsContact CG2-C 3.41Å; V912-G918 PolarHBondContact N-O 2.88Å; V912-F920 HydrophobicContact CB-CD2 4.47Å; V912-F920 HydrophobicContact CB-CE2 4.11Å; V912-F920 HydrophobicContact CB-CZ 4.46Å; V912-F920 HydrophobicContact CG1-CE2 4.01Å; V912-F920 HydrophobicContact CG1-CZ 4.05Å; V912-F920 HydrophobicContact CG2-CD1 4.21Å; V912-F920 HydrophobicContact CG2-CD2 3.78Å; V912-F920 HydrophobicContact CG2-CE1 4.1Å; V912-F920 HydrophobicContact CG2-CE2 3.68Å; V912-F920 HydrophobicContact CG2-CG 4.06Å; V912-F920 HydrophobicContact CG2-CZ 3.84Å; V912-E933 HydrophobicContact CG2-CG 3.93Å
913	A	91.7	Very high	94.3	Very high	74 Å²	74	62.4 Å²	62.4	61%	0.612	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	134.8	176.5	0	0	0	0	0	110.7	E915	A913-E915 PolarHBondContact O-N 2.72Å
914	H	89.4	Confident	93.8	Very high	198 Å²	198	64.8 Å²	64.8	92%	0.917	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	-6	-177.9	-50.1	-76.5	0	0	0	117.2	V912	V912-H914 PolarHBondContact O-N 3.43Å
915	E	92.7	Very high	92.5	Very high	73 Å²	73	67.1 Å²	67.1	34%	0.341	33%	0.333	S	S	.	.			trans	-111	89.2	173.3	-61.2	-172.5	-175.4	0	0	110.6	K862 V912 A913 K917 G918 H935	K862-E915 IonicContact NZ-OE1 2.7Å; K862-E915 PolarHBondContact NZ-OE1 2.9Å; K862-E915 IonicContact NZ-OE2 2.67Å; K862-E915 PolarHBondContact NZ-OE2 3.14Å; V912-E915 HydrophobicContact CB-CB 4.12Å; V912-E915 HydrophobicContact CG1-CB 3.74Å; V912-E915 HydrophobicContact CG1-CG 4.05Å; V912-E915 PolarHBondContact O-N 2.67Å; A913-E915 PolarHBondContact O-N 2.72Å; E915-K917 PolarHBondContact O-N 3.48Å; E915-G918 PolarHBondContact O-N 3.2Å; E915-H935 IonicContact OE2-CE1 3.64Å; E915-H935 PolarHBondContact OE2-CE1 2.94Å; E915-H935 IonicContact OE2-NE2 3.21Å; E915-H935 PolarHBondContact OE2-NE2 3.07Å
916	E	93.4	Very high	91.4	Very high	113 Å²	113	67.4 Å²	67.4	53%	0.528	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.2	-170.8	-60.8	-157	126.6	0	0	115.6	K939 R942	E916-K939 HydrophobicContact CB-CB 4.42Å; E916-K939 HydrophobicContact CB-CD 4.14Å; E916-K939 HydrophobicContact CB-CG 4.27Å; E916-K939 HydrophobicContact CG-CD 4.46Å; E916-K939 WeakPolarHBondContact OE1-CE 3.02Å; E916-K939 IonicContact OE1-NZ 2.68Å; E916-K939 PolarHBondContact OE1-NZ 3.47Å; E916-R942 PolarHBondContact O-NE 2.96Å; E916-R942 PolarHBondContact O-NH2 3.18Å
917	K	96.3	Very high	90.7	Very high	106 Å²	106	66.3 Å²	66.3	46%	0.461	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.3	177.8	-58.7	-169.5	-176.5	-164.2	0	114	E915 H935 A936 S937	E915-K917 PolarHBondContact O-N 3.48Å; K917-H935 WeakPolarHBondContact O-CA 3.33Å; K917-A936 PolarHBondContact O-N 2.93Å; K917-S937 WeakPolarHBondContact CE-O 3.43Å; K917-S937 PolarHBondContact NZ-O 3.42Å
918	G	96.7	Very high	90	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.6	-176.1	0	0	0	0	0	113.2	V912 E915 V934	V912-G918 VanDerWaalsContact CG2-C 3.41Å; V912-G918 PolarHBondContact N-O 2.88Å; E915-G918 PolarHBondContact O-N 3.2Å; G918-V934 CarbonylContact C-O 3.6Å; G918-V934 WeakPolarHBondContact CA-O 3.22Å
919	L	97.6	Very high	89.7	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.6	164.4	70.4	93	0	0	0	110	V909 R910 L921 V934 R942 W945 I946	V909-L919 HydrophobicContact CG1-CD1 4.23Å; R910-L919 CarbonylContact O-C 3.6Å; R910-L919 VanDerWaalsContact O-CA 3.26Å; R910-L919 WeakPolarHBondContact O-CA 3.5Å; R910-L919 WeakPolarHBondContact O-CB 3.31Å; L919-L921 HydrophobicContact CD1-CD1 4.43Å; L919-L921 HydrophobicContact CD1-CD2 3.6Å; L919-L921 HydrophobicContact CD1-CG 3.7Å; L919-V934 HydrophobicContact CD1-CB 4.07Å; L919-V934 HydrophobicContact CD1-CG2 4.23Å; L919-V934 HydrophobicContact CG-CB 4.07Å; L919-V934 PolarHBondContact N-O 2.97Å; L919-V934 PolarHBondContact O-N 3.41Å; L919-R942 HydrophobicContact CB-CG 4.2Å; L919-R942 HydrophobicContact CD2-CG 4.19Å; L919-W945 HydrophobicContact CD2-CB 4.01Å; L919-I946 HydrophobicContact CB-CD1 3.9Å; L919-I946 HydrophobicContact CB-CG1 3.93Å; L919-I946 HydrophobicContact CD2-CG1 4.05Å
920	F	97.1	Very high	89.3	Confident	40 Å²	40	72.6 Å²	72.6	18%	0.175	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.1	171.2	-69.7	-59.9	0	0	0	110.8	V909 R910 V912 I922 M931 E933	V909-F920 WeakPolarHBondContact CA-O 3.4Å; R910-F920 PolarHBondContact N-O 3.19Å; R910-F920 PolarHBondContact O-N 2.67Å; V912-F920 HydrophobicContact CB-CD2 4.47Å; V912-F920 HydrophobicContact CB-CE2 4.11Å; V912-F920 HydrophobicContact CB-CZ 4.46Å; V912-F920 HydrophobicContact CG1-CE2 4.01Å; V912-F920 HydrophobicContact CG1-CZ 4.05Å; V912-F920 HydrophobicContact CG2-CD1 4.21Å; V912-F920 HydrophobicContact CG2-CD2 3.78Å; V912-F920 HydrophobicContact CG2-CE1 4.1Å; V912-F920 HydrophobicContact CG2-CE2 3.68Å; V912-F920 HydrophobicContact CG2-CG 4.06Å; V912-F920 HydrophobicContact CG2-CZ 3.84Å; F920-I922 HydrophobicContact CB-CG1 4.31Å; F920-M931 HydrophobicContact CB-CG 4.26Å; F920-M931 HydrophobicContact CB-SD 4.3Å; F920-M931 HydrophobicContact CD1-CE 4.07Å; F920-M931 HydrophobicContact CD1-CG 3.66Å; F920-M931 HydrophobicContact CD1-SD 3.55Å; F920-M931 VanDerWaalsContact CD1-SD 3.55Å; F920-M931 HydrophobicContact CD2-SD 4.3Å; F920-M931 HydrophobicContact CE1-CE 3.74Å; F920-M931 HydrophobicContact CE1-CG 4.28Å; F920-M931 HydrophobicContact CE1-SD 3.81Å; F920-M931 HydrophobicContact CG-CG 4.17Å; F920-M931 HydrophobicContact CG-SD 3.82Å; F920-M931 HydrophobicContact CZ-CE 4.18Å; F920-M931 HydrophobicContact CZ-SD 4.29Å; F920-E933 HydrophobicContact CD1-CB 3.82Å; F920-E933 HydrophobicContact CD1-CG 3.77Å; F920-E933 HydrophobicContact CE1-CB 3.75Å; F920-E933 HydrophobicContact CE1-CG 3.54Å; F920-E933 WeakPolarHBondContact CE1-OE2 3.47Å; F920-E933 HydrophobicContact CZ-CG 4.4Å
921	L	96.4	Very high	89.1	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.9	169.3	-60.7	175.6	0	0	0	107.9	L880 F882 I902 L907 V909 L919 M931 V932 V934 I949	L880-L921 HydrophobicContact CD2-CD1 3.57Å; L880-L921 HydrophobicContact CD2-CD2 4.42Å; F882-L921 HydrophobicContact CE2-CD1 4Å; F882-L921 HydrophobicContact CZ-CD1 3.71Å; I902-L921 HydrophobicContact CD1-CD1 4.27Å; L907-L921 HydrophobicContact CD1-CB 4.24Å; L907-L921 HydrophobicContact CD2-CD2 4.46Å; V909-L921 HydrophobicContact CG1-CD2 4.15Å; V909-L921 HydrophobicContact CG2-CD2 3.98Å; L919-L921 HydrophobicContact CD1-CD1 4.43Å; L919-L921 HydrophobicContact CD1-CD2 3.6Å; L919-L921 HydrophobicContact CD1-CG 3.7Å; L921-M931 CarbonylContact O-C 3.56Å; L921-M931 WeakPolarHBondContact O-CA 3.44Å; L921-V932 HydrophobicContact CB-CB 4.36Å; L921-V932 PolarHBondContact N-O 3.37Å; L921-V932 PolarHBondContact O-N 3.39Å; L921-V934 HydrophobicContact CD1-CG2 3.7Å; L921-V934 HydrophobicContact CG-CG2 4.17Å; L921-I949 HydrophobicContact CD2-CD1 4.29Å
922	I	94.6	Very high	89	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.138	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112	-172.6	-51	172.6	0	0	0	109.2	I908 F920 M924 P929 E930 M931	I908-I922 HydrophobicContact CB-CB 4.34Å; I908-I922 PolarHBondContact N-O 3.26Å; I908-I922 PolarHBondContact O-N 3.01Å; F920-I922 HydrophobicContact CB-CG1 4.31Å; I922-M924 HydrophobicContact CG2-CG 4.47Å; I922-M924 HydrophobicContact CG2-SD 3.71Å; I922-M924 PolarHBondContact O-N 3.31Å; I922-P929 HydrophobicContact CG2-CB 4.26Å; I922-E930 WeakPolarHBondContact CA-O 3.35Å; I922-M931 HydrophobicContact CG1-CB 4.48Å; I922-M931 HydrophobicContact CG1-CG 4.08Å; I922-M931 HydrophobicContact CG1-SD 4.4Å
923	S	91.2	Very high	89	Confident	17 Å²	17	64.8 Å²	64.8	12%	0.119	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	96.9	-174.8	-57.4	0	0	0	0	111.4	I902 G925 P929 E930	I902-S923 WeakPolarHBondContact CG2-OG 3.37Å; S923-G925 PolarHBondContact O-N 3.12Å; S923-P929 WeakPolarHBondContact O-CA 3.27Å; S923-E930 PolarHBondContact N-O 3.31Å
924	M	84.8	Confident	89.3	Confident	94 Å²	94	61.5 Å²	61.5	46%	0.463	32%	0.322	S	S	.	.			trans	-83.8	19	-173.9	-58.3	-63.7	-62.6	0	0	114.4	K906 I908 I922 M926 P929	K906-M924 HydrophobicContact CB-CB 4.34Å; K906-M924 WeakPolarHBondContact O-CB 3.34Å; K906-M924 PolarHBondContact O-N 2.85Å; I908-M924 HydrophobicContact CD1-CG 3.59Å; I908-M924 HydrophobicContact CD1-SD 4.33Å; I908-M924 HydrophobicContact CG1-CG 3.91Å; I922-M924 HydrophobicContact CG2-CG 4.47Å; I922-M924 HydrophobicContact CG2-SD 3.71Å; I922-M924 PolarHBondContact O-N 3.31Å; M924-M926 PolarHBondContact O-N 3.12Å; M924-P929 HydrophobicContact SD-CB 4.01Å
925	G	68.6	Low	89.7	Confident	48 Å²	48	53.1 Å²	53.1	50%	0.495	28%	0.284	S	S	.	.	S	Bend	trans	-78.9	-12.3	-168.5	0	0	0	0	0	116.3	S923	S923-G925 PolarHBondContact O-N 3.12Å
926	M	65.8	Low	90	Very high	104 Å²	104	49.9 Å²	49.9	51%	0.512	27%	0.269	S	S	.	.	S	Bend	trans	-149.1	179	-169.9	-60.4	-177.4	76.6	0	0	110.9	K838 M924 D928	K838-M926 HydrophobicContact CB-SD 4.29Å; K838-M926 HydrophobicContact CD-SD 4.09Å; M924-M926 PolarHBondContact O-N 3.12Å; M926-D928 VanDerWaalsContact C-N 3.26Å; M926-D928 PolarHBondContact O-N 3.23Å
927	T	73.7	Confident	90.1	Very high	126 Å²	126	48 Å²	48	77%	0.773	27%	0.268	S	S	*	.	S	Bend	trans	-49.7	-42.4	178.6	46.6	0	0	0	0	113.9	P929	T927-P929 WeakPolarHBondContact O-CD 3.37Å
928	D	80.9	Confident	90.1	Very high	109 Å²	109	44.5 Å²	44.5	58%	0.583	26%	0.258	S	S	*	.	S	Bend	trans	-113.3	99.6	-172.6	-57.5	-84.5	0	0	0	110.4	K838 M926 E930	K838-D928 VanDerWaalsContact CE-O 3.23Å; K838-D928 WeakPolarHBondContact CE-O 3.04Å; K838-D928 PolarHBondContact NZ-O 3.31Å; M926-D928 VanDerWaalsContact C-N 3.26Å; M926-D928 PolarHBondContact O-N 3.23Å; D928-E930 PolarHBondContact O-N 3.38Å
929	P	86.4	Confident	90.1	Very high	71 Å²	71	48.1 Å²	48.1	46%	0.461	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-70.6	119.7	-176.2	27.2	-33.7	0	0	0	111.3	I922 S923 M924 T927 M931	I922-P929 HydrophobicContact CG2-CB 4.26Å; S923-P929 WeakPolarHBondContact O-CA 3.27Å; M924-P929 HydrophobicContact SD-CB 4.01Å; T927-P929 WeakPolarHBondContact O-CD 3.37Å; P929-M931 PolarHBondContact O-N 3.22Å
930	E	89.3	Confident	90.1	Very high	38 Å²	38	54 Å²	54	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120	173.3	-98.5	163.9	-120.2	0	0	110.7	K838 K898 S899 I922 S923 D928	K838-E930 WeakPolarHBondContact CD-OE1 3.42Å; K838-E930 VanDerWaalsContact CE-CD 3.49Å; K838-E930 WeakPolarHBondContact CE-OE1 3.4Å; K838-E930 IonicContact NZ-OE1 2.73Å; K838-E930 PolarHBondContact NZ-OE1 3.42Å; K898-E930 WeakPolarHBondContact CA-OE2 3.48Å; K898-E930 HydrophobicContact CB-CG 4.39Å; K898-E930 WeakPolarHBondContact CB-OE2 3.43Å; K898-E930 HydrophobicContact CG-CG 4.18Å; S899-E930 PolarHBondContact N-OE2 3.21Å; I922-E930 WeakPolarHBondContact CA-O 3.35Å; S923-E930 PolarHBondContact N-O 3.31Å; D928-E930 PolarHBondContact O-N 3.38Å
931	M	91.9	Very high	90.1	Very high	85 Å²	85	54.6 Å²	54.6	42%	0.419	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	169.1	-174	169.2	75.9	0	0	110.4	K898 F920 L921 I922 P929	K898-M931 PolarHBondContact NZ-O 3.47Å; F920-M931 HydrophobicContact CB-CG 4.26Å; F920-M931 HydrophobicContact CB-SD 4.3Å; F920-M931 HydrophobicContact CD1-CE 4.07Å; F920-M931 HydrophobicContact CD1-CG 3.66Å; F920-M931 HydrophobicContact CD1-SD 3.55Å; F920-M931 VanDerWaalsContact CD1-SD 3.55Å; F920-M931 HydrophobicContact CD2-SD 4.3Å; F920-M931 HydrophobicContact CE1-CE 3.74Å; F920-M931 HydrophobicContact CE1-CG 4.28Å; F920-M931 HydrophobicContact CE1-SD 3.81Å; F920-M931 HydrophobicContact CG-CG 4.17Å; F920-M931 HydrophobicContact CG-SD 3.82Å; F920-M931 HydrophobicContact CZ-CE 4.18Å; F920-M931 HydrophobicContact CZ-SD 4.29Å; L921-M931 CarbonylContact O-C 3.56Å; L921-M931 WeakPolarHBondContact O-CA 3.44Å; I922-M931 HydrophobicContact CG1-CB 4.48Å; I922-M931 HydrophobicContact CG1-CG 4.08Å; I922-M931 HydrophobicContact CG1-SD 4.4Å; P929-M931 PolarHBondContact O-N 3.22Å
932	V	94.9	Very high	90.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128	174.3	171.7	0	0	0	0	108.4	L861 F882 L895 K898 I902 L921 V934	L861-V932 HydrophobicContact CD2-CG1 3.91Å; F882-V932 HydrophobicContact CE2-CG1 4.47Å; L895-V932 HydrophobicContact CD2-CB 4.49Å; L895-V932 HydrophobicContact CD2-CG1 3.79Å; L895-V932 HydrophobicContact CD2-CG2 4.26Å; K898-V932 HydrophobicContact CD-CG2 4.28Å; I902-V932 HydrophobicContact CD1-CB 4.3Å; I902-V932 HydrophobicContact CD1-CG2 4.08Å; L921-V932 HydrophobicContact CB-CB 4.36Å; L921-V932 PolarHBondContact N-O 3.37Å; L921-V932 PolarHBondContact O-N 3.39Å; V932-V934 HydrophobicContact CG1-CG2 4.07Å
933	E	96.3	Very high	90.3	Very high	30 Å²	30	56.8 Å²	56.8	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	179.2	-165.7	-177.1	148.3	0	0	110.5	K862 V912 F920 H935	K862-E933 HydrophobicContact CB-CB 4.25Å; K862-E933 HydrophobicContact CB-CG 4.39Å; K862-E933 HydrophobicContact CD-CG 4.29Å; K862-E933 WeakPolarHBondContact CD-OE1 3.45Å; K862-E933 WeakPolarHBondContact CD-OE2 3.31Å; K862-E933 WeakPolarHBondContact CE-OE1 3.41Å; K862-E933 PolarHBondContact N-O 3.4Å; K862-E933 IonicContact NZ-OE1 2.93Å; K862-E933 PolarHBondContact NZ-OE1 3.21Å; K862-E933 IonicContact NZ-OE2 3.03Å; K862-E933 PolarHBondContact NZ-OE2 2.82Å; V912-E933 HydrophobicContact CG2-CG 3.93Å; F920-E933 HydrophobicContact CD1-CB 3.82Å; F920-E933 HydrophobicContact CD1-CG 3.77Å; F920-E933 HydrophobicContact CE1-CB 3.75Å; F920-E933 HydrophobicContact CE1-CG 3.54Å; F920-E933 WeakPolarHBondContact CE1-OE2 3.47Å; F920-E933 HydrophobicContact CZ-CG 4.4Å; E933-H935 IonicContact OE1-CD2 2.72Å; E933-H935 IonicContact OE1-CE1 2.67Å; E933-H935 IonicContact OE1-NE2 2.76Å; E933-H935 PolarHBondContact OE1-NE2 3.46Å
934	V	97.8	Very high	90.6	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134	-173.6	-166.2	0	0	0	0	109.4	V859 F860 L861 F882 G918 L919 L921 V932	V859-V934 HydrophobicContact CB-CG1 3.84Å; V859-V934 HydrophobicContact CG1-CG1 4.41Å; V859-V934 HydrophobicContact CG2-CG1 3.58Å; F860-V934 CarbonylContact O-C 3.59Å; F860-V934 WeakPolarHBondContact O-CA 3.36Å; L861-V934 HydrophobicContact CD2-CG1 4.41Å; L861-V934 HydrophobicContact CD2-CG2 3.91Å; F882-V934 HydrophobicContact CE1-CG1 4.11Å; F882-V934 HydrophobicContact CE1-CG2 4.25Å; F882-V934 HydrophobicContact CZ-CG1 4.44Å; F882-V934 HydrophobicContact CZ-CG2 3.78Å; G918-V934 CarbonylContact C-O 3.6Å; G918-V934 WeakPolarHBondContact CA-O 3.22Å; L919-V934 HydrophobicContact CD1-CB 4.07Å; L919-V934 HydrophobicContact CD1-CG2 4.23Å; L919-V934 HydrophobicContact CG-CB 4.07Å; L919-V934 PolarHBondContact N-O 2.97Å; L919-V934 PolarHBondContact O-N 3.41Å; L921-V934 HydrophobicContact CD1-CG2 3.7Å; L921-V934 HydrophobicContact CG-CG2 4.17Å; V932-V934 HydrophobicContact CG1-CG2 4.07Å
935	H	97.8	Very high	91.3	Very high	23 Å²	23	54.2 Å²	54.2	11%	0.106	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.5	-179.5	-83.9	-118.2	0	0	0	110.6	F860 L868 E915 K917 E933	F860-H935 HydrophobicContact CB-CB 4.19Å; F860-H935 PolarHBondContact N-O 3.22Å; F860-H935 PolarHBondContact O-N 3.47Å; L868-H935 HydrophobicContact CD2-CB 4.31Å; E915-H935 IonicContact OE2-CE1 3.64Å; E915-H935 PolarHBondContact OE2-CE1 2.94Å; E915-H935 IonicContact OE2-NE2 3.21Å; E915-H935 PolarHBondContact OE2-NE2 3.07Å; K917-H935 WeakPolarHBondContact O-CA 3.33Å; E933-H935 IonicContact OE1-CD2 2.72Å; E933-H935 IonicContact OE1-CE1 2.67Å; E933-H935 IonicContact OE1-NE2 2.76Å; E933-H935 PolarHBondContact OE1-NE2 3.46Å
936	A	97.7	Very high	92.7	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	29%	0.285	C	S	.	.			trans	-87.7	172.2	173.9	0	0	0	0	0	111.7	K917 S938 E941 R942	K917-A936 PolarHBondContact O-N 2.93Å; A936-S938 VanDerWaalsContact C-N 3.33Å; A936-S938 PolarHBondContact O-N 3.08Å; A936-E941 HydrophobicContact CB-CB 4.05Å; A936-E941 HydrophobicContact CB-CG 4.02Å; A936-R942 HydrophobicContact CB-CB 3.92Å
937	S	96.3	Very high	94.2	Very high	73 Å²	73	53.2 Å²	53.2	51%	0.51	29%	0.287	S	S	.	.	S	Bend	trans	-69.8	-30.5	177.3	74.2	0	0	0	0	112.8	K917 E941	K917-S937 WeakPolarHBondContact CE-O 3.43Å; K917-S937 PolarHBondContact NZ-O 3.42Å; S937-E941 WeakPolarHBondContact CA-OE2 3.34Å; S937-E941 WeakPolarHBondContact CB-OE2 3.47Å; S937-E941 PolarHBondContact N-OE2 2.89Å; S937-E941 PolarHBondContact OG-OE2 2.8Å
938	S	96.9	Very high	95.4	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	26%	0.259	C	S	.	.	S	Bend	trans	-142.6	168.8	177.6	93.6	0	0	0	0	113.1	A936 E940 E941 R942	A936-S938 VanDerWaalsContact C-N 3.33Å; A936-S938 PolarHBondContact O-N 3.08Å; S938-E940 VanDerWaalsContact C-N 3.34Å; S938-E940 WeakPolarHBondContact CB-OE2 3.4Å; S938-E940 PolarHBondContact OG-N 2.99Å; S938-E940 PolarHBondContact OG-OE2 2.59Å; S938-E941 PolarHBondContact O-N 2.7Å; S938-E941 PolarHBondContact OG-N 2.84Å; S938-R942 WeakPolarHBondContact O-CB 3.41Å; S938-R942 PolarHBondContact O-N 3.39Å
939	K	96.8	Very high	96.2	Very high	75 Å²	75	43.9 Å²	43.9	33%	0.326	23%	0.232	S	C	.	.	H	α-helix	trans	-64.8	-37.9	175.8	-174.8	-179.7	-170.7	172.8	0	111.9	E916 R942 N943	E916-K939 HydrophobicContact CB-CB 4.42Å; E916-K939 HydrophobicContact CB-CD 4.14Å; E916-K939 HydrophobicContact CB-CG 4.27Å; E916-K939 HydrophobicContact CG-CD 4.46Å; E916-K939 WeakPolarHBondContact OE1-CE 3.02Å; E916-K939 IonicContact OE1-NZ 2.68Å; E916-K939 PolarHBondContact OE1-NZ 3.47Å; K939-R942 PolarHBondContact O-N 2.6Å; K939-N943 WeakPolarHBondContact O-CB 3.21Å; K939-N943 PolarHBondContact O-N 3.26Å; K939-N943 PolarHBondContact O-OD1 3.15Å
940	E	97.2	Very high	96.7	Very high	128 Å²	128	44.3 Å²	44.3	60%	0.598	23%	0.228	S	C	*	.	H	α-helix	trans	-67.7	-40.4	178.3	-55	70.4	-152.2	0	0	111	S938 N943 S944	S938-E940 VanDerWaalsContact C-N 3.34Å; S938-E940 WeakPolarHBondContact CB-OE2 3.4Å; S938-E940 PolarHBondContact OG-N 2.99Å; S938-E940 PolarHBondContact OG-OE2 2.59Å; E940-N943 PolarHBondContact O-N 3.39Å; E940-S944 WeakPolarHBondContact O-CB 3.31Å; E940-S944 PolarHBondContact O-N 3.4Å
941	E	97.3	Very high	97	Very high	53 Å²	53	45.8 Å²	45.8	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-43.8	173	-171.6	-178	-153.1	0	0	111.2	A936 S937 S938 N943 S944 W945	A936-E941 HydrophobicContact CB-CB 4.05Å; A936-E941 HydrophobicContact CB-CG 4.02Å; S937-E941 WeakPolarHBondContact CA-OE2 3.34Å; S937-E941 WeakPolarHBondContact CB-OE2 3.47Å; S937-E941 PolarHBondContact N-OE2 2.89Å; S937-E941 PolarHBondContact OG-OE2 2.8Å; S938-E941 PolarHBondContact O-N 2.7Å; S938-E941 PolarHBondContact OG-N 2.84Å; E941-N943 VanDerWaalsContact C-N 3.33Å; E941-N943 PolarHBondContact O-N 3.36Å; E941-S944 WeakPolarHBondContact O-CB 3.41Å; E941-S944 PolarHBondContact O-N 2.88Å; E941-W945 PolarHBondContact O-N 3.4Å
942	R	97.6	Very high	97.2	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-47.4	173.2	-179.4	-93	-81.8	-173.9	-32.9	111.3	E911 E916 L919 A936 S938 K939 S944 W945 I946	E911-R942 IonicContact OE1-CZ 2.74Å; E911-R942 IonicContact OE1-NH1 2.71Å; E911-R942 PolarHBondContact OE1-NH1 2.74Å; E911-R942 IonicContact OE2-CZ 3.72Å; E911-R942 IonicContact OE2-NH1 2.66Å; E911-R942 PolarHBondContact OE2-NH1 2.77Å; E911-R942 IonicContact OE2-NH2 2.76Å; E911-R942 PolarHBondContact OE2-NH2 3.48Å; E916-R942 PolarHBondContact O-NE 2.96Å; E916-R942 PolarHBondContact O-NH2 3.18Å; L919-R942 HydrophobicContact CB-CG 4.2Å; L919-R942 HydrophobicContact CD2-CG 4.19Å; A936-R942 HydrophobicContact CB-CB 3.92Å; S938-R942 WeakPolarHBondContact O-CB 3.41Å; S938-R942 PolarHBondContact O-N 3.39Å; K939-R942 PolarHBondContact O-N 2.6Å; R942-S944 PolarHBondContact O-N 3.39Å; R942-W945 PolarHBondContact O-N 2.69Å; R942-I946 WeakPolarHBondContact O-CG1 3.3Å; R942-I946 PolarHBondContact O-N 3.5Å
943	N	97.6	Very high	97.3	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-44	177.2	-71.2	2.6	0	0	0	111.8	K939 E940 E941 W945 I946 Q947	K939-N943 WeakPolarHBondContact O-CB 3.21Å; K939-N943 PolarHBondContact O-N 3.26Å; K939-N943 PolarHBondContact O-OD1 3.15Å; E940-N943 PolarHBondContact O-N 3.39Å; E941-N943 VanDerWaalsContact C-N 3.33Å; E941-N943 PolarHBondContact O-N 3.36Å; N943-W945 VanDerWaalsContact C-N 3.27Å; N943-W945 PolarHBondContact O-N 3.09Å; N943-I946 PolarHBondContact O-N 2.95Å; N943-Q947 WeakPolarHBondContact O-CB 3.47Å; N943-Q947 PolarHBondContact O-N 2.96Å
944	S	97.9	Very high	97.1	Very high	47 Å²	47	46.2 Å²	46.2	33%	0.329	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-33.7	176.7	-171.8	0	0	0	0	112.3	R855 E940 E941 R942 I948	R855-S944 PolarHBondContact NH1-O 3.4Å; R855-S944 PolarHBondContact NH1-OG 3Å; R855-S944 PolarHBondContact NH2-OG 3.38Å; E940-S944 WeakPolarHBondContact O-CB 3.31Å; E940-S944 PolarHBondContact O-N 3.4Å; E941-S944 WeakPolarHBondContact O-CB 3.41Å; E941-S944 PolarHBondContact O-N 2.88Å; R942-S944 PolarHBondContact O-N 3.39Å; S944-I948 WeakPolarHBondContact O-CG2 3.25Å; S944-I948 PolarHBondContact O-N 2.95Å; S944-I948 VanDerWaalsContact O-N 3.15Å
945	W	98.3	Very high	96.9	Very high	9 Å²	9	49.3 Å²	49.3	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-47.5	172.4	-84.3	118.2	0	0	0	112.5	R855 A873 L875 L919 E941 R942 N943 Q947 I948 I949	R855-W945 HydrophobicContact CB-CH2 4.22Å; R855-W945 HydrophobicContact CB-CZ3 4.17Å; R855-W945 HydrophobicContact CG-CH2 3.73Å; R855-W945 HydrophobicContact CG-CZ2 4.27Å; R855-W945 HydrophobicContact CG-CZ3 4.03Å; A873-W945 HydrophobicContact CB-CH2 3.9Å; A873-W945 HydrophobicContact CB-CZ2 4.03Å; A873-W945 HydrophobicContact CB-CZ3 4.5Å; L875-W945 HydrophobicContact CB-CZ3 4.07Å; L919-W945 HydrophobicContact CD2-CB 4.01Å; E941-W945 PolarHBondContact O-N 3.4Å; R942-W945 PolarHBondContact O-N 2.69Å; N943-W945 VanDerWaalsContact C-N 3.27Å; N943-W945 PolarHBondContact O-N 3.09Å; W945-Q947 VanDerWaalsContact C-N 3.32Å; W945-Q947 PolarHBondContact O-N 2.83Å; W945-I948 HydrophobicContact CE3-CG2 3.95Å; W945-I948 HydrophobicContact CZ3-CG2 4.43Å; W945-I948 WeakPolarHBondContact O-CG2 3.3Å; W945-I948 PolarHBondContact O-N 3.33Å; W945-I949 HydrophobicContact CE3-CD1 4.3Å; W945-I949 HydrophobicContact CE3-CG1 4.44Å; W945-I949 WeakPolarHBondContact O-CB 3.4Å; W945-I949 WeakPolarHBondContact O-CD1 3.41Å; W945-I949 WeakPolarHBondContact O-CG1 3.32Å; W945-I949 PolarHBondContact O-N 2.99Å; W945-I949 VanDerWaalsContact O-N 3.08Å
946	I	97.9	Very high	96.6	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-50.3	175.9	-68.2	-175.6	0	0	0	110.2	V909 E911 L919 R942 N943 I949 Q950	V909-I946 HydrophobicContact CG1-CB 4.18Å; V909-I946 HydrophobicContact CG1-CD1 4.48Å; V909-I946 HydrophobicContact CG1-CG1 3.79Å; V909-I946 HydrophobicContact CG1-CG2 4.01Å; E911-I946 HydrophobicContact CG-CD1 3.96Å; L919-I946 HydrophobicContact CB-CD1 3.9Å; L919-I946 HydrophobicContact CB-CG1 3.93Å; L919-I946 HydrophobicContact CD2-CG1 4.05Å; R942-I946 WeakPolarHBondContact O-CG1 3.3Å; R942-I946 PolarHBondContact O-N 3.5Å; N943-I946 PolarHBondContact O-N 2.95Å; I946-I949 PolarHBondContact O-N 3.42Å; I946-Q950 HydrophobicContact CG2-CG 4.43Å; I946-Q950 WeakPolarHBondContact O-CB 3.24Å; I946-Q950 VanDerWaalsContact O-CG 3.3Å; I946-Q950 WeakPolarHBondContact O-CG 3.48Å; I946-Q950 PolarHBondContact O-N 3.35Å
947	Q	97.9	Very high	96	Very high	117 Å²	117	52.8 Å²	52.8	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-53.5	-179.5	-175.4	179.5	-3.6	0	0	111.9	N943 W945 I949 Q950 D951	N943-Q947 WeakPolarHBondContact O-CB 3.47Å; N943-Q947 PolarHBondContact O-N 2.96Å; W945-Q947 VanDerWaalsContact C-N 3.32Å; W945-Q947 PolarHBondContact O-N 2.83Å; Q947-I949 VanDerWaalsContact C-N 3.27Å; Q947-I949 PolarHBondContact O-N 3.05Å; Q947-Q950 PolarHBondContact O-N 3.18Å; Q947-Q950 VanDerWaalsContact O-N 3.16Å; Q947-D951 WeakPolarHBondContact CG-OD2 3.36Å; Q947-D951 WeakPolarHBondContact O-CB 3.39Å; Q947-D951 VanDerWaalsContact O-CG 3.23Å; Q947-D951 PolarHBondContact O-N 2.94Å
948	I	97.9	Very high	95.2	Very high	34 Å²	34	55 Å²	55	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-30.8	-175.3	-162.7	62.8	0	0	0	112.7	V854 R855 L875 S944 W945 T952	V854-I948 HydrophobicContact CG1-CD1 4.06Å; V854-I948 HydrophobicContact CG1-CG1 3.82Å; R855-I948 VanDerWaalsContact NH1-CG2 3.35Å; L875-I948 HydrophobicContact CD2-CB 4.49Å; L875-I948 HydrophobicContact CD2-CG1 4.17Å; L875-I948 HydrophobicContact CD2-CG2 3.79Å; S944-I948 WeakPolarHBondContact O-CG2 3.25Å; S944-I948 PolarHBondContact O-N 2.95Å; S944-I948 VanDerWaalsContact O-N 3.15Å; W945-I948 HydrophobicContact CE3-CG2 3.95Å; W945-I948 HydrophobicContact CZ3-CG2 4.43Å; W945-I948 WeakPolarHBondContact O-CG2 3.3Å; W945-I948 PolarHBondContact O-N 3.33Å; I948-T952 WeakPolarHBondContact O-CB 3.28Å; I948-T952 PolarHBondContact O-N 3.31Å; I948-T952 PolarHBondContact O-OG1 3.4Å
949	I	98	Very high	93.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-70.7	-44	176	-62.5	164.6	0	0	0	109.4	L875 L880 L904 L907 V909 L921 W945 I946 Q947 T952 I953	L875-I949 HydrophobicContact CD1-CG1 4.19Å; L875-I949 HydrophobicContact CD2-CG1 3.85Å; L880-I949 HydrophobicContact CD2-CD1 3.96Å; L904-I949 HydrophobicContact CD2-CG2 4.22Å; L907-I949 HydrophobicContact CD2-CG2 4.34Å; V909-I949 HydrophobicContact CG2-CB 4.18Å; V909-I949 HydrophobicContact CG2-CG2 3.57Å; L921-I949 HydrophobicContact CD2-CD1 4.29Å; W945-I949 HydrophobicContact CE3-CD1 4.3Å; W945-I949 HydrophobicContact CE3-CG1 4.44Å; W945-I949 WeakPolarHBondContact O-CB 3.4Å; W945-I949 WeakPolarHBondContact O-CD1 3.41Å; W945-I949 WeakPolarHBondContact O-CG1 3.32Å; W945-I949 PolarHBondContact O-N 2.99Å; W945-I949 VanDerWaalsContact O-N 3.08Å; I946-I949 PolarHBondContact O-N 3.42Å; Q947-I949 VanDerWaalsContact C-N 3.27Å; Q947-I949 PolarHBondContact O-N 3.05Å; I949-T952 PolarHBondContact O-N 2.89Å; I949-I953 HydrophobicContact CG2-CD1 3.78Å; I949-I953 HydrophobicContact CG2-CG1 4.43Å; I949-I953 WeakPolarHBondContact O-CD1 3.41Å; I949-I953 VanDerWaalsContact O-CG1 3.26Å; I949-I953 WeakPolarHBondContact O-CG1 3.29Å; I949-I953 PolarHBondContact O-N 3.23Å
950	Q	96.8	Very high	92	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.5	-72.7	172.1	-17.4	0	0	112.2	V909 I946 Q947 T952 I953 N954	V909-Q950 HydrophobicContact CB-CG 4.37Å; V909-Q950 HydrophobicContact CG2-CG 4.44Å; I946-Q950 HydrophobicContact CG2-CG 4.43Å; I946-Q950 WeakPolarHBondContact O-CB 3.24Å; I946-Q950 VanDerWaalsContact O-CG 3.3Å; I946-Q950 WeakPolarHBondContact O-CG 3.48Å; I946-Q950 PolarHBondContact O-N 3.35Å; Q947-Q950 PolarHBondContact O-N 3.18Å; Q947-Q950 VanDerWaalsContact O-N 3.16Å; Q950-T952 PolarHBondContact O-N 3.22Å; Q950-I953 PolarHBondContact O-N 3.19Å; Q950-N954 WeakPolarHBondContact O-CB 3.35Å; Q950-N954 PolarHBondContact O-N 2.92Å; Q950-N954 PolarHBondContact O-ND2 2.85Å
951	D	96.6	Very high	90.1	Very high	69 Å²	69	60.6 Å²	60.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-57	-39.1	175.1	-66.6	-22.1	0	0	0	111.4	Q947 T955	Q947-D951 WeakPolarHBondContact CG-OD2 3.36Å; Q947-D951 WeakPolarHBondContact O-CB 3.39Å; Q947-D951 VanDerWaalsContact O-CG 3.23Å; Q947-D951 PolarHBondContact O-N 2.94Å; D951-T955 WeakPolarHBondContact O-CB 3.41Å; D951-T955 PolarHBondContact O-N 2.88Å; D951-T955 PolarHBondContact O-OG1 2.78Å
952	T	96.8	Very high	87.9	Confident	11 Å²	11	64.6 Å²	64.6	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-72.1	-42.1	178.3	-52	0	0	0	0	112	V854 T877 L904 I948 I949 Q950 T955 L956	V854-T952 HydrophobicContact CG2-CG2 4.11Å; T877-T952 WeakPolarHBondContact O-CG2 3.2Å; L904-T952 HydrophobicContact CD1-CG2 3.47Å; L904-T952 VanDerWaalsContact CD1-CG2 3.47Å; I948-T952 WeakPolarHBondContact O-CB 3.28Å; I948-T952 PolarHBondContact O-N 3.31Å; I948-T952 PolarHBondContact O-OG1 3.4Å; I949-T952 PolarHBondContact O-N 2.89Å; Q950-T952 PolarHBondContact O-N 3.22Å; T952-T955 PolarHBondContact O-N 3.28Å; T952-L956 WeakPolarHBondContact O-CB 3.42Å; T952-L956 PolarHBondContact O-N 3.05Å
953	I	95.3	Very high	85.2	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-45.9	173.9	-68.3	159.1	0	0	0	110.5	L904 L907 V909 I949 Q950 T955 L956 N957	L904-I953 HydrophobicContact CB-CG1 3.97Å; L904-I953 HydrophobicContact CD2-CG1 4.37Å; L907-I953 HydrophobicContact CB-CD1 4.09Å; L907-I953 HydrophobicContact CD2-CD1 4.38Å; L907-I953 HydrophobicContact CG-CD1 4.38Å; V909-I953 HydrophobicContact CG2-CD1 4.09Å; I949-I953 HydrophobicContact CG2-CD1 3.78Å; I949-I953 HydrophobicContact CG2-CG1 4.43Å; I949-I953 WeakPolarHBondContact O-CD1 3.41Å; I949-I953 VanDerWaalsContact O-CG1 3.26Å; I949-I953 WeakPolarHBondContact O-CG1 3.29Å; I949-I953 PolarHBondContact O-N 3.23Å; Q950-I953 PolarHBondContact O-N 3.19Å; I953-T955 VanDerWaalsContact C-N 3.31Å; I953-T955 PolarHBondContact O-N 3.03Å; I953-L956 PolarHBondContact O-N 3.01Å; I953-N957 PolarHBondContact O-N 2.85Å; I953-N957 PolarHBondContact O-ND2 3Å
954	N	94	Very high	82.5	Confident	102 Å²	102	70.5 Å²	70.5	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-36.6	179.1	-67.3	-17.4	0	0	0	112	Q950 R958	Q950-N954 WeakPolarHBondContact O-CB 3.35Å; Q950-N954 PolarHBondContact O-N 2.92Å; Q950-N954 PolarHBondContact O-ND2 2.85Å; N954-R958 PolarHBondContact O-N 2.89Å
955	T	93.4	Very high	79.8	Confident	69 Å²	69	74.1 Å²	74.1	42%	0.423	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-52.7	172.9	-54.8	0	0	0	0	110.4	D951 T952 I953 N957 R958 D959	D951-T955 WeakPolarHBondContact O-CB 3.41Å; D951-T955 PolarHBondContact O-N 2.88Å; D951-T955 PolarHBondContact O-OG1 2.78Å; T952-T955 PolarHBondContact O-N 3.28Å; I953-T955 VanDerWaalsContact C-N 3.31Å; I953-T955 PolarHBondContact O-N 3.03Å; T955-N957 VanDerWaalsContact C-N 3.32Å; T955-N957 PolarHBondContact O-N 3.23Å; T955-R958 PolarHBondContact O-N 2.79Å; T955-D959 PolarHBondContact O-N 3.22Å
956	L	91.4	Very high	77.1	Confident	27 Å²	27	79.5 Å²	79.5	14%	0.141	43%	0.431	C	S	.	.	H	α-helix	trans	-56.3	-43.9	-179.1	-178.5	68	0	0	0	112.4	D878 L904 K905 T952 I953 D959 E960	D878-L956 HydrophobicContact CB-CD1 4.15Å; D878-L956 HydrophobicContact CB-CD2 4.45Å; L904-L956 HydrophobicContact CB-CD2 3.86Å; K905-L956 HydrophobicContact CG-CD2 3.89Å; T952-L956 WeakPolarHBondContact O-CB 3.42Å; T952-L956 PolarHBondContact O-N 3.05Å; I953-L956 PolarHBondContact O-N 3.01Å; L956-D959 PolarHBondContact O-N 3.48Å; L956-E960 WeakPolarHBondContact O-CG 3.37Å; L956-E960 PolarHBondContact O-N 3.37Å
957	N	84.5	Confident	74.1	Confident	74 Å²	74	91.6 Å²	91.6	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-178.8	-65.2	-19.6	0	0	0	112.2	I953 T955 E960 D961	I953-N957 PolarHBondContact O-N 2.85Å; I953-N957 PolarHBondContact O-ND2 3Å; T955-N957 VanDerWaalsContact C-N 3.32Å; T955-N957 PolarHBondContact O-N 3.23Å; N957-E960 PolarHBondContact O-N 2.84Å; N957-D961 PolarHBondContact O-N 3.45Å
958	R	79.1	Confident	72.9	Confident	120 Å²	120	90.4 Å²	90.4	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-69	-36.5	178.8	-165.2	-162	84.2	-83.1	-18.6	111.5	N954 T955 E960 D961 E962	N954-R958 PolarHBondContact O-N 2.89Å; T955-R958 PolarHBondContact O-N 2.79Å; R958-E960 PolarHBondContact O-N 3.37Å; R958-D961 PolarHBondContact O-N 2.92Å; R958-D961 VanDerWaalsContact O-N 3.08Å; R958-E962 IonicContact CZ-OE1 3.67Å; R958-E962 IonicContact NE-OE1 3.28Å; R958-E962 PolarHBondContact NE-OE1 3.38Å; R958-E962 IonicContact NH2-OE1 2.8Å; R958-E962 PolarHBondContact NH2-OE1 2.86Å; R958-E962 PolarHBondContact O-N 2.98Å
959	D	67.3	Low	71.6	Confident	93 Å²	93	93.3 Å²	93.3	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-12	174.9	-60.9	-0.5	0	0	0	112.6	T955 L956	T955-D959 PolarHBondContact O-N 3.22Å; L956-D959 PolarHBondContact O-N 3.48Å
960	E	60	Low	70.1	Confident	109 Å²	109	98.3 Å²	98.3	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-93.9	-21.9	169.8	-49.3	-142.7	102.3	0	0	113.5	K905 L956 N957 R958	K905-E960 WeakPolarHBondContact CE-OE1 3.36Å; K905-E960 VanDerWaalsContact CE-OE2 3.31Å; K905-E960 WeakPolarHBondContact CE-OE2 3.1Å; K905-E960 IonicContact NZ-OE1 2.86Å; K905-E960 PolarHBondContact NZ-OE1 2.75Å; K905-E960 IonicContact NZ-OE2 2.72Å; K905-E960 PolarHBondContact NZ-OE2 3.47Å; L956-E960 WeakPolarHBondContact O-CG 3.37Å; L956-E960 PolarHBondContact O-N 3.37Å; N957-E960 PolarHBondContact O-N 2.84Å; R958-E960 PolarHBondContact O-N 3.37Å
961	D	56.1	Low	68.6	Low	151 Å²	151	99.4 Å²	99.4	81%	0.807	54%	0.537	S	S	*	.	H	α-helix	trans	-86.6	-22	-176.1	-146.5	32.3	0	0	0	112.2	N957 R958 G963	N957-D961 PolarHBondContact O-N 3.45Å; R958-D961 PolarHBondContact O-N 2.92Å; R958-D961 VanDerWaalsContact O-N 3.08Å; D961-G963 PolarHBondContact O-N 3.36Å
962	E	51.2	Low	66.8	Low	138 Å²	138	101.3 Å²	101.3	65%	0.645	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	12.8	168.2	-65.8	173.9	-148.8	0	0	112.5	R958 I964	R958-E962 IonicContact CZ-OE1 3.67Å; R958-E962 IonicContact NE-OE1 3.28Å; R958-E962 PolarHBondContact NE-OE1 3.38Å; R958-E962 IonicContact NH2-OE1 2.8Å; R958-E962 PolarHBondContact NH2-OE1 2.86Å; R958-E962 PolarHBondContact O-N 2.98Å; E962-I964 PolarHBondContact O-N 3.02Å
963	G	40.5	Very low	64.8	Low	53 Å²	53	107.3 Å²	107.3	55%	0.546	58%	0.579	S	S	.	*			trans	-84.9	87.6	-169.7	0	0	0	0	0	116.4	D961	D961-G963 PolarHBondContact O-N 3.36Å
964	I	41.6	Very low	62.6	Low	146 Å²	146	114 Å²	114	75%	0.749	62%	0.616	S	S	*	*			trans	60.1	109	157.5	-52.4	174.1	0	0	0	115.7	E962 S966	E962-I964 PolarHBondContact O-N 3.02Å; I964-S966 PolarHBondContact O-N 3.1Å
965	P	40.9	Very low	60.2	Low	122 Å²	122	114.9 Å²	114.9	79%	0.792	62%	0.621	S	S	*	*			trans	-56.6	130.8	163.5	-20.3	32.5	0	0	0	110.7	E967	P965-E967 PolarHBondContact O-N 3.32Å
966	S	41.1	Very low	57.5	Low	123 Å²	123	118.8 Å²	118.8	86%	0.86	64%	0.638	S	S	*	*			trans	-74.5	115.9	173.9	-46.5	0	0	0	0	109.8	I964	I964-S966 PolarHBondContact O-N 3.1Å
967	E	35.7	Very low	54.4	Low	269 Å²	269	127.1 Å²	127.1	100%	1.257	68%	0.683	S	S	*	*			trans	-79.3	0	161.9	-64.7	-171.9	138	0	0	111	P965	P965-E967 PolarHBondContact O-N 3.32Å

Retrieved 967 of 967 residues in 274.5 ms (Link to these results)

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