A0A077ZKK8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 912 aa.

						>A0A077ZKK8_TRITR|A0A077ZKK8
MGWHPVEEDQHLSRNLPELAAAGITMPQEAPVNCPLCSRQGRLTRLILCKISLEIAILCCPETDCIYPFNLQREQFQLHFLSVDGPSLLREDFLEEFAYVDDPEGFHEVEISRGLSEEIRSRCLPIGGGPMASVDVFRKRLGENMRELKRRLDAYQVFYPDKDELPSSDESAASPPMIYCTECAERGVQSKLILARVSFRRGLLICPVGECSFPLDQGPDVLSRLCVRTEVPRSTSIEFRKVNEAIDRLCLFIDEALEAEESSNSDASESEIPENRLIHSENHSPTELENSTGVVSEGRMPSVLMDDENCIPLPLENSNPVVIPVDVENIVQYEGKNDAVLSMEDEDMSKHNEGDQSDGVECEPSIDESAQNESTLSAEVEIEKCDEDIENPQIKSGESAATAIESEDVVVTFTQNECLVDIPSQVNASTCLQPENVDQVTTSSVLEDEIAAAIEEMYNAHSPIENEHQISELVANDIPSVESSAHMLPREEIPAAAPVEPEAIVPESKEVEETSAEVVIGVSNVAVSNKVNHCNSSAVNDGTECAALPTRSRPYKLRVDKSERIKPKSMEPENRSRVTALRKGTSASMSHSKVDAESASGRPQRSRRAPMRFDDYLWDDSELLSSIEGRPDYAVENSSEMTGRGRRKLNKDNVGGNCLKRVEKPKCNWSRRAKRASEEGNVVVTAELHQCTSFSEVENTQPNGQSNADIPNDRSSLTDPFHVGGYIRGRAMSMPSNDLGFSSLEEPPSKDSAEKEEGIPGRPPEKVRLISNGTRAVSATQAEAPQKKSFFARIKKQLMNACAEAAAERKVQAGVPSQEKNQLGDEMFDDAEMLSFHSFETGTSDASTALKPSGDALLGQQLREASIQMKNGQSSSANATTELLSFEELDFSAFDDLYGFPEPSVVDDNLII
					

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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	29.9	Very low	28.7	Very low	226 Å²	226	144.7 Å²	144.7	100%	1.113	73%	0.732	S	S	*	*				0	58.5	0	-57.4	-67.2	-83.2	0	0	110.7
2	G	30.2	Very low	28.7	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	72%	0.717	S	S	*	*			cis	70.3	86	5.9	0	0	0	0	0	112.5
3	W	24.8	Very low	28.7	Very low	240 Å²	240	138 Å²	138	91%	0.909	71%	0.714	S	S	*	*			trans	-143.2	145.7	161.1	-104.3	76.5	0	0	0	107.5
4	H	23.2	Very low	28.8	Very low	151 Å²	151	142.6 Å²	142.6	70%	0.699	72%	0.718	S	S	*	*			trans	-78.2	155	-157.1	-81.9	-113.7	0	0	0	116.2	V6	H4-V6 HydrophobicContact CB-CB 3.88Å; H4-V6 HydrophobicContact CB-CG2 3.67Å
5	P	27.3	Very low	28.8	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	70%	0.7	S	S	*	*			trans	-74.9	125.7	131.4	33.5	-27.3	0	0	0	109.9
6	V	28.5	Very low	28.8	Very low	91 Å²	91	136.8 Å²	136.8	55%	0.552	69%	0.691	S	S	*	*			trans	-166.5	132.4	-169.6	127.5	0	0	0	0	102.2	H4	H4-V6 HydrophobicContact CB-CB 3.88Å; H4-V6 HydrophobicContact CB-CG2 3.67Å
7	E	32.1	Very low	28.8	Very low	150 Å²	150	134.3 Å²	134.3	70%	0.701	69%	0.687	S	S	*	*	S	Bend	cis	-149.9	122.9	1	-88.7	139.3	-165.5	0	0	103.8
8	E	30.7	Very low	28.7	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	70%	0.695	S	S	*	*			cis	-139.2	-173.1	-9.8	-68	88.5	178.8	0	0	110.5	Q10	E8-Q10 VanDerWaalsContact C-N 3.28Å; E8-Q10 PolarHBondContact O-N 3.45Å
9	D	29.4	Very low	28.8	Very low	126 Å²	126	136.3 Å²	136.3	67%	0.674	69%	0.694	S	S	*	*			trans	43.9	5.1	160.4	-82.8	14.4	0	0	0	123.6	H11	D9-H11 PolarHBondContact O-N 3.4Å
10	Q	30.1	Very low	29.3	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	9.7	170.6	-64	-169.2	12.7	0	0	114.9	E8	E8-Q10 VanDerWaalsContact C-N 3.28Å; E8-Q10 PolarHBondContact O-N 3.45Å
11	H	29.7	Very low	29.2	Very low	117 Å²	117	131.1 Å²	131.1	54%	0.542	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.4	-20.7	-176.6	-82.1	-64.6	0	0	0	115.7	D9 S13	D9-H11 PolarHBondContact O-N 3.4Å; H11-S13 VanDerWaalsContact C-N 3.3Å; H11-S13 PolarHBondContact O-N 2.91Å
12	L	28.8	Very low	28.9	Very low	104 Å²	104	124.8 Å²	124.8	55%	0.545	68%	0.676	S	S	.	*	H	α-helix	trans	-63.3	-38.2	174.5	-76.2	165.9	0	0	0	111.5	R14 L16	L12-R14 PolarHBondContact O-N 2.67Å; L12-L16 HydrophobicContact CD2-CD1 4.05Å
13	S	28.8	Very low	28.6	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	67%	0.67	S	S	*	*	H	α-helix	trans	-84.2	3.2	-171	55.6	0	0	0	0	116.2	H11	H11-S13 VanDerWaalsContact C-N 3.3Å; H11-S13 PolarHBondContact O-N 2.91Å
14	R	29.6	Very low	28.7	Very low	202 Å²	202	119.9 Å²	119.9	76%	0.762	66%	0.663	S	S	*	*	H	α-helix	trans	-135.4	-24.7	178.9	-78.8	-172	172.1	160.8	0.6	117	L12	L12-R14 PolarHBondContact O-N 2.67Å
15	N	28.8	Very low	28.7	Very low	84 Å²	84	118.5 Å²	118.5	45%	0.449	67%	0.666	S	S	.	*	H	α-helix	trans	-102.9	-20.1	-175	-68.9	-8.9	0	0	0	113.8	P17 E18 L19	N15-P17 VanDerWaalsContact C-CD 3.49Å; N15-E18 PolarHBondContact O-N 3.37Å; N15-L19 HydrophobicContact CB-CD1 4.35Å; N15-L19 WeakPolarHBondContact O-CB 3.38Å; N15-L19 VanDerWaalsContact O-CG 3.31Å; N15-L19 WeakPolarHBondContact O-CG 3.42Å; N15-L19 PolarHBondContact O-N 3Å
16	L	28.4	Very low	28.5	Very low	108 Å²	108	120.3 Å²	120.3	57%	0.565	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-40.4	176	-103.3	159.6	0	0	0	114.6	L12 E18	L12-L16 HydrophobicContact CD2-CD1 4.05Å; L16-E18 VanDerWaalsContact C-N 3.29Å; L16-E18 PolarHBondContact O-N 3.47Å
17	P	30.3	Very low	28.7	Very low	95 Å²	95	119.6 Å²	119.6	62%	0.617	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-19.3	-179.1	-22.3	34.8	0	0	0	115.4	N15 A20	N15-P17 VanDerWaalsContact C-CD 3.49Å; P17-A20 VanDerWaalsContact O-CB 3.22Å; P17-A20 WeakPolarHBondContact O-CB 3.49Å
18	E	26.8	Very low	28.6	Very low	179 Å²	179	118.6 Å²	118.6	84%	0.836	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-3.7	-178.4	-65.2	-173.1	131.2	0	0	113.2	N15 L16 A20	N15-E18 PolarHBondContact O-N 3.37Å; L16-E18 VanDerWaalsContact C-N 3.29Å; L16-E18 PolarHBondContact O-N 3.47Å; E18-A20 PolarHBondContact O-N 3.35Å
19	L	29.9	Very low	28.8	Very low	128 Å²	128	117.5 Å²	117.5	67%	0.67	65%	0.654	S	S	*	*	S	Bend	trans	-70.6	-7.5	150.3	-74.9	165.9	0	0	0	112	N15	N15-L19 HydrophobicContact CB-CD1 4.35Å; N15-L19 WeakPolarHBondContact O-CB 3.38Å; N15-L19 VanDerWaalsContact O-CG 3.31Å; N15-L19 WeakPolarHBondContact O-CG 3.42Å; N15-L19 PolarHBondContact O-N 3Å
20	A	39.3	Very low	29.2	Very low	51 Å²	51	112 Å²	112	42%	0.421	63%	0.626	S	S	.	*	S	Bend	trans	-66.2	176.3	171.2	0	0	0	0	0	112.9	P17 E18 A22	P17-A20 VanDerWaalsContact O-CB 3.22Å; P17-A20 WeakPolarHBondContact O-CB 3.49Å; E18-A20 PolarHBondContact O-N 3.35Å; A20-A22 PolarHBondContact O-N 3.45Å
21	A	26.3	Very low	29.8	Very low	112 Å²	112	109.6 Å²	109.6	93%	0.926	63%	0.625	S	S	*	*	S	Bend	trans	60.4	-22.1	176.8	0	0	0	0	0	118.2
22	A	23.2	Very low	30.5	Very low	93 Å²	93	104.9 Å²	104.9	77%	0.769	60%	0.604	S	S	*	*	S	Bend	trans	-113.4	-9.6	-168.9	0	0	0	0	0	115.8	A20	A20-A22 PolarHBondContact O-N 3.45Å
23	G	24	Very low	31.5	Very low	56 Å²	56	102.8 Å²	102.8	58%	0.577	59%	0.593	S	S	*	*			trans	-101.3	99.8	-175.3	0	0	0	0	0	114.4
24	I	27.2	Very low	32.4	Very low	149 Å²	149	98.1 Å²	98.1	76%	0.764	56%	0.561	S	S	*	*			trans	-84.6	156.8	159.8	-47.9	176	0	0	0	108
25	T	24.1	Very low	32.9	Very low	122 Å²	122	88.5 Å²	88.5	75%	0.748	52%	0.524	S	S	*	.			trans	85.1	164.9	166.8	79.2	0	0	0	0	118.3
26	M	23.3	Very low	33.7	Very low	144 Å²	144	87.8 Å²	87.8	71%	0.709	52%	0.52	S	S	*	.			trans	76	138.1	172.8	-59	-144.6	-55.5	0	0	118.6
27	P	32.1	Very low	34.5	Very low	77 Å²	77	82.7 Å²	82.7	50%	0.5	49%	0.494	S	S	.	.			trans	-71.7	152.7	160.9	30.6	-32.7	0	0	0	112.4	I47 L48	P27-I47 HydrophobicContact CB-CG2 3.49Å; P27-I47 VanDerWaalsContact CB-CG2 3.49Å; P27-I47 HydrophobicContact CG-CG2 4.31Å; P27-L48 CarbonylContact C-O 3.57Å; P27-L48 WeakPolarHBondContact CA-O 3.36Å; P27-L48 WeakPolarHBondContact CB-O 3.24Å
28	Q	29.3	Very low	35.2	Very low	129 Å²	129	79.5 Å²	79.5	60%	0.603	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.9	173.3	-67.2	179.6	-14.5	0	0	109.6	A30 I47 L48	Q28-A30 PolarHBondContact O-N 3.49Å; Q28-I47 CarbonylContact O-C 3.53Å; Q28-L48 HydrophobicContact CB-CB 4.15Å; Q28-L48 HydrophobicContact CB-CD2 3.98Å; Q28-L48 HydrophobicContact CB-CG 4.48Å; Q28-L48 HydrophobicContact CG-CD2 4.08Å; Q28-L48 PolarHBondContact N-O 3.14Å; Q28-L48 WeakPolarHBondContact O-CB 3.43Å; Q28-L48 PolarHBondContact O-N 3.06Å
29	E	34.8	Very low	36.2	Very low	128 Å²	128	78 Å²	78	60%	0.598	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.7	166.5	-73.9	-176.2	-155.7	0	0	109.6	R45 L46	E29-R45 WeakPolarHBondContact OE2-CD 3.44Å; E29-R45 IonicContact OE2-CZ 3.3Å; E29-R45 IonicContact OE2-NE 3.6Å; E29-R45 IonicContact OE2-NH1 2.78Å; E29-R45 PolarHBondContact OE2-NH1 3.08Å; E29-L46 WeakPolarHBondContact CA-O 3.29Å
30	A	39.5	Very low	37.1	Very low	9 Å²	9	77.4 Å²	77.4	7%	0.074	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.8	170.4	0	0	0	0	0	109.6	Q28 V32 L46 L58	Q28-A30 PolarHBondContact O-N 3.49Å; A30-V32 HydrophobicContact CB-CG2 4.1Å; A30-V32 PolarHBondContact O-N 3.03Å; A30-L46 HydrophobicContact CB-CB 4.44Å; A30-L46 PolarHBondContact N-O 2.88Å; A30-L58 HydrophobicContact CB-CD2 3.47Å; A30-L58 VanDerWaalsContact CB-CD2 3.47Å
31	P	40.8	Very low	37.4	Very low	117 Å²	117	78.5 Å²	78.5	76%	0.76	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	37.9	-175.3	34	-38	0	0	0	112.9
32	V	44.5	Very low	38.4	Very low	17 Å²	17	78.6 Å²	78.6	10%	0.103	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	132.3	-168	-118	0	0	0	0	110.2	A30 L46 R73 F76	A30-V32 HydrophobicContact CB-CG2 4.1Å; A30-V32 PolarHBondContact O-N 3.03Å; V32-L46 PolarHBondContact O-N 2.96Å; V32-R73 HydrophobicContact CG1-CG 4.04Å; V32-F76 HydrophobicContact CB-CD1 3.57Å; V32-F76 HydrophobicContact CB-CD2 3.72Å; V32-F76 HydrophobicContact CB-CE1 3.55Å; V32-F76 HydrophobicContact CB-CE2 3.55Å; V32-F76 HydrophobicContact CB-CG 3.74Å; V32-F76 HydrophobicContact CB-CZ 3.55Å; V32-F76 HydrophobicContact CG1-CB 4.31Å; V32-F76 HydrophobicContact CG1-CD1 3.33Å; V32-F76 HydrophobicContact CG1-CD2 4.21Å; V32-F76 HydrophobicContact CG1-CE1 3.71Å; V32-F76 HydrophobicContact CG1-CE2 4.39Å; V32-F76 HydrophobicContact CG1-CG 3.7Å; V32-F76 HydrophobicContact CG1-CZ 4.24Å; V32-F76 HydrophobicContact CG2-CD2 3.93Å; V32-F76 HydrophobicContact CG2-CE2 4Å; V32-F76 HydrophobicContact CG2-CG 4.22Å; V32-F76 HydrophobicContact CG2-CZ 4.49Å; V32-F76 WeakPolarHBondContact O-CZ 3.32Å
33	N	51.1	Low	39.9	Very low	60 Å²	60	80.9 Å²	80.9	32%	0.321	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.8	-158.7	-67.3	-30.4	0	0	0	113.5	P35 L43 T44 F76	N33-P35 WeakPolarHBondContact O-CD 3.25Å; N33-P35 VanDerWaalsContact O-N 3.09Å; N33-L43 HydrophobicContact CB-CD2 4.48Å; N33-T44 CarbonylContact C-O 3.3Å; N33-T44 VanDerWaalsContact C-O 3.3Å; N33-T44 WeakPolarHBondContact CA-O 3.18Å; N33-T44 VanDerWaalsContact CB-O 3.25Å; N33-T44 WeakPolarHBondContact CB-O 3.4Å; N33-F76 WeakPolarHBondContact O-CE1 3.09Å; N33-F76 WeakPolarHBondContact O-CZ 3.04Å
34	C	46.5	Very low	40.8	Very low	0 Å²	0	79 Å²	79	0%	0	42%	0.423	C	S	.	.			trans	-55.1	121.8	-174.6	-170.4	0	0	0	0	111.6	C37 S38 T44 L46 C60 T63	C34-C37 HydrophobicContact CB-CB 4.01Å; C34-C37 WeakPolarHBondContact O-CB 3.44Å; C34-C37 PolarHBondContact O-N 3.35Å; C34-C37 PolarHBondContact SG-SG 3.16Å; C34-S38 PolarHBondContact O-N 2.93Å; C34-S38 PolarHBondContact O-OG 2.99Å; C34-T44 HydrophobicContact CB-CG2 4.4Å; C34-T44 PolarHBondContact N-O 3.38Å; C34-L46 HydrophobicContact CB-CD2 3.64Å; C34-C60 HydrophobicContact CB-CB 4.13Å; C34-C60 WeakPolarHBondContact CB-SG 3.43Å; C34-C60 WeakPolarHBondContact SG-CB 3.46Å; C34-C60 CovalentContact SG-SG 2.01Å; C34-C60 PolarHBondContact SG-SG 3.2Å; C34-T63 PolarHBondContact SG-OG1 3.01Å
35	P	41.2	Very low	41.7	Very low	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-80.6	-43.1	-160.5	-3.3	9.9	0	0	0	115	N33 C37 S38 R39 Y67 F76 F80	N33-P35 WeakPolarHBondContact O-CD 3.25Å; N33-P35 VanDerWaalsContact O-N 3.09Å; P35-C37 PolarHBondContact O-N 3.13Å; P35-S38 WeakPolarHBondContact O-CA 3.3Å; P35-S38 WeakPolarHBondContact O-CB 3.49Å; P35-S38 PolarHBondContact O-N 2.73Å; P35-R39 PolarHBondContact O-N 3.42Å; P35-Y67 WeakPolarHBondContact CD-OH 3.31Å; P35-F76 HydrophobicContact CG-CE1 4.21Å; P35-F76 HydrophobicContact CG-CZ 4.3Å; P35-F80 VanDerWaalsContact CB-CA 3.43Å; P35-F80 HydrophobicContact CB-CB 3.27Å; P35-F80 HydrophobicContact CB-CD2 4.34Å; P35-F80 HydrophobicContact CB-CG 3.83Å; P35-F80 WeakPolarHBondContact CB-O 3.39Å; P35-F80 HydrophobicContact CG-CB 3.23Å; P35-F80 HydrophobicContact CG-CD1 4Å; P35-F80 HydrophobicContact CG-CD2 3.31Å; P35-F80 HydrophobicContact CG-CE2 4.31Å; P35-F80 HydrophobicContact CG-CG 3.19Å
36	L	45.4	Very low	42.6	Very low	70 Å²	70	72.6 Å²	72.6	37%	0.366	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-22.9	173.7	-63	-179.7	0	0	0	111.6	Q40 T63	L36-Q40 WeakPolarHBondContact O-CG 3.32Å; L36-Q40 PolarHBondContact O-N 3.21Å; L36-Q40 PolarHBondContact O-NE2 3.07Å; L36-T63 HydrophobicContact CB-CG2 3.68Å; L36-T63 HydrophobicContact CD1-CG2 4.49Å
37	C	44.4	Very low	43.4	Very low	1 Å²	1	68.2 Å²	68.2	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-76.5	-41.1	169.4	-52.1	0	0	0	0	111.2	C34 P35 R39 Q40 G41 R42 T44 E62	C34-C37 HydrophobicContact CB-CB 4.01Å; C34-C37 WeakPolarHBondContact O-CB 3.44Å; C34-C37 PolarHBondContact O-N 3.35Å; C34-C37 PolarHBondContact SG-SG 3.16Å; P35-C37 PolarHBondContact O-N 3.13Å; C37-R39 VanDerWaalsContact C-N 3.3Å; C37-R39 PolarHBondContact O-N 3.24Å; C37-Q40 CarbonylContact O-C 3.24Å; C37-Q40 VanDerWaalsContact O-C 3.24Å; C37-Q40 VanDerWaalsContact O-CA 3.24Å; C37-Q40 WeakPolarHBondContact O-CA 3.3Å; C37-Q40 WeakPolarHBondContact O-CB 3.14Å; C37-Q40 PolarHBondContact O-N 3.16Å; C37-G41 PolarHBondContact O-N 2.88Å; C37-G41 VanDerWaalsContact O-N 3.11Å; C37-R42 CarbonylContact C-O 3.04Å; C37-R42 HydrophobicContact CB-CB 4Å; C37-R42 WeakPolarHBondContact CB-O 3.42Å; C37-R42 PolarHBondContact O-N 2.89Å; C37-T44 WeakPolarHBondContact CB-OG1 3.45Å; C37-T44 PolarHBondContact SG-OG1 3.08Å; C37-E62 WeakPolarHBondContact SG-CB 3.25Å
38	S	46.6	Very low	43.7	Very low	28 Å²	28	65 Å²	65	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-39.3	175.9	-58.8	0	0	0	0	111.2	C34 P35 Q40 G41 R42 L81	C34-S38 PolarHBondContact O-N 2.93Å; C34-S38 PolarHBondContact O-OG 2.99Å; P35-S38 WeakPolarHBondContact O-CA 3.3Å; P35-S38 WeakPolarHBondContact O-CB 3.49Å; P35-S38 PolarHBondContact O-N 2.73Å; S38-Q40 PolarHBondContact O-N 2.08Å; S38-G41 PolarHBondContact O-N 3.03Å; S38-R42 WeakPolarHBondContact CA-O 3.41Å; S38-R42 PolarHBondContact N-O 3.21Å; S38-R42 VanDerWaalsContact N-O 3.09Å; S38-L81 VanDerWaalsContact CB-CD2 3.41Å
39	R	46	Very low	44.1	Very low	147 Å²	147	60.3 Å²	60.3	56%	0.555	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.7	169.4	-63.7	-169.2	74.7	175.3	4.7	114.5	P35 C37 S82	P35-R39 PolarHBondContact O-N 3.42Å; C37-R39 VanDerWaalsContact C-N 3.3Å; C37-R39 PolarHBondContact O-N 3.24Å; R39-S82 WeakPolarHBondContact CD-OG 3.45Å; R39-S82 VanDerWaalsContact CZ-OG 3.26Å; R39-S82 PolarHBondContact NH1-OG 2.95Å
40	Q	50.5	Low	44.3	Very low	115 Å²	115	59.7 Å²	59.7	54%	0.537	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.5	171	-68.4	171.7	63.3	0	0	112.5	L36 C37 S38	L36-Q40 WeakPolarHBondContact O-CG 3.32Å; L36-Q40 PolarHBondContact O-N 3.21Å; L36-Q40 PolarHBondContact O-NE2 3.07Å; C37-Q40 CarbonylContact O-C 3.24Å; C37-Q40 VanDerWaalsContact O-C 3.24Å; C37-Q40 VanDerWaalsContact O-CA 3.24Å; C37-Q40 WeakPolarHBondContact O-CA 3.3Å; C37-Q40 WeakPolarHBondContact O-CB 3.14Å; C37-Q40 PolarHBondContact O-N 3.16Å; S38-Q40 PolarHBondContact O-N 2.08Å
41	G	45.5	Very low	44	Very low	74 Å²	74	62.2 Å²	62.2	76%	0.763	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	20.4	-179.1	0	0	0	0	0	115.1	C37 S38	C37-G41 PolarHBondContact O-N 2.88Å; C37-G41 VanDerWaalsContact O-N 3.11Å; S38-G41 PolarHBondContact O-N 3.03Å
42	R	47.3	Very low	43.5	Very low	114 Å²	114	58.4 Å²	58.4	43%	0.43	30%	0.297	S	S	.	.			trans	-119.8	124.9	-178.1	-62.1	-173.3	-172.3	176	2.9	112.4	C37 S38 T44 E62	C37-R42 CarbonylContact C-O 3.04Å; C37-R42 HydrophobicContact CB-CB 4Å; C37-R42 WeakPolarHBondContact CB-O 3.42Å; C37-R42 PolarHBondContact O-N 2.89Å; S38-R42 WeakPolarHBondContact CA-O 3.41Å; S38-R42 PolarHBondContact N-O 3.21Å; S38-R42 VanDerWaalsContact N-O 3.09Å; R42-T44 VanDerWaalsContact C-N 3.34Å; R42-T44 PolarHBondContact O-N 3.08Å; R42-E62 WeakPolarHBondContact CD-OE2 3.44Å; R42-E62 IonicContact CZ-OE2 3.58Å; R42-E62 IonicContact NE-OE2 3.7Å; R42-E62 IonicContact NH1-OE2 2.68Å; R42-E62 PolarHBondContact NH1-OE2 3.23Å
43	L	54.7	Low	42.8	Very low	142 Å²	142	63.9 Å²	63.9	74%	0.743	33%	0.325	S	S	*	.			trans	-90.2	61.3	176.7	-66.4	168.1	0	0	0	111.7	N33	N33-L43 HydrophobicContact CB-CD2 4.48Å
44	T	42.3	Very low	41.8	Very low	16 Å²	16	65 Å²	65	10%	0.098	33%	0.328	C	S	.	.			trans	-67	163.8	166.5	-22.7	0	0	0	0	110	N33 C34 C37 R42 P61 E62	N33-T44 CarbonylContact C-O 3.3Å; N33-T44 VanDerWaalsContact C-O 3.3Å; N33-T44 WeakPolarHBondContact CA-O 3.18Å; N33-T44 VanDerWaalsContact CB-O 3.25Å; N33-T44 WeakPolarHBondContact CB-O 3.4Å; C34-T44 HydrophobicContact CB-CG2 4.4Å; C34-T44 PolarHBondContact N-O 3.38Å; C37-T44 WeakPolarHBondContact CB-OG1 3.45Å; C37-T44 PolarHBondContact SG-OG1 3.08Å; R42-T44 VanDerWaalsContact C-N 3.34Å; R42-T44 PolarHBondContact O-N 3.08Å; T44-P61 HydrophobicContact CG2-CG 3.66Å; T44-E62 WeakPolarHBondContact CB-OE1 3.16Å; T44-E62 HydrophobicContact CG2-CB 3.99Å; T44-E62 HydrophobicContact CG2-CG 3.76Å; T44-E62 WeakPolarHBondContact CG2-OE1 3.39Å; T44-E62 PolarHBondContact OG1-OE1 3.47Å
45	R	46	Very low	41.1	Very low	137 Å²	137	68.6 Å²	68.6	52%	0.517	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	163.3	169.5	-70.3	176.7	175.9	178.5	-2.8	112.1	E29 P61	E29-R45 WeakPolarHBondContact OE2-CD 3.44Å; E29-R45 IonicContact OE2-CZ 3.3Å; E29-R45 IonicContact OE2-NE 3.6Å; E29-R45 IonicContact OE2-NH1 2.78Å; E29-R45 PolarHBondContact OE2-NH1 3.08Å; R45-P61 VanDerWaalsContact O-CD 3.23Å; R45-P61 WeakPolarHBondContact O-CD 3.47Å
46	L	43	Very low	40.8	Very low	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	157	166	-66	-150.7	0	0	0	112.8	E29 A30 V32 C34 L58 C59 C60 Y67 F76	E29-L46 WeakPolarHBondContact CA-O 3.29Å; A30-L46 HydrophobicContact CB-CB 4.44Å; A30-L46 PolarHBondContact N-O 2.88Å; V32-L46 PolarHBondContact O-N 2.96Å; C34-L46 HydrophobicContact CB-CD2 3.64Å; L46-L58 HydrophobicContact CB-CB 4.36Å; L46-L58 HydrophobicContact CB-CD2 4.22Å; L46-L58 HydrophobicContact CD1-CB 3.74Å; L46-L58 HydrophobicContact CD1-CD1 4.38Å; L46-C59 WeakPolarHBondContact CA-O 3.37Å; L46-C60 HydrophobicContact CD2-CB 3.43Å; L46-C60 VanDerWaalsContact CD2-CB 3.43Å; L46-Y67 HydrophobicContact CD1-CD2 3.25Å; L46-Y67 HydrophobicContact CD1-CE2 3.56Å; L46-Y67 HydrophobicContact CD1-CG 4.21Å; L46-Y67 HydrophobicContact CD2-CD2 4.25Å; L46-Y67 HydrophobicContact CD2-CE2 3.89Å; L46-Y67 HydrophobicContact CG-CD2 4.44Å; L46-Y67 HydrophobicContact CG-CE2 4.41Å; L46-F76 HydrophobicContact CB-CE2 4.11Å; L46-F76 HydrophobicContact CD1-CD2 4.19Å; L46-F76 HydrophobicContact CD1-CE2 3.27Å; L46-F76 HydrophobicContact CD1-CZ 3.88Å; L46-F76 HydrophobicContact CG-CE2 3.44Å; L46-F76 VanDerWaalsContact CG-CE2 3.44Å; L46-F76 HydrophobicContact CG-CZ 3.66Å
47	I	40.5	Very low	40.5	Very low	52 Å²	52	67.6 Å²	67.6	27%	0.267	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	106.1	-171.4	-57.8	177.7	0	0	0	107.9	P27 Q28 C49 L58 C59 P61	P27-I47 HydrophobicContact CB-CG2 3.49Å; P27-I47 VanDerWaalsContact CB-CG2 3.49Å; P27-I47 HydrophobicContact CG-CG2 4.31Å; Q28-I47 CarbonylContact O-C 3.53Å; I47-C49 PolarHBondContact O-N 2.92Å; I47-L58 CarbonylContact O-C 3.4Å; I47-L58 WeakPolarHBondContact O-CA 3.29Å; I47-C59 PolarHBondContact N-O 3.18Å; I47-C59 PolarHBondContact O-N 2.99Å; I47-P61 HydrophobicContact CD1-CB 4.02Å; I47-P61 HydrophobicContact CD1-CG 3.87Å
48	L	39.1	Very low	40.4	Very low	8 Å²	8	67.8 Å²	67.8	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	136.9	162.1	159.8	153.6	0	0	0	107.9	P27 Q28 K50 A56 I57 L58 F69	P27-L48 CarbonylContact C-O 3.57Å; P27-L48 WeakPolarHBondContact CA-O 3.36Å; P27-L48 WeakPolarHBondContact CB-O 3.24Å; Q28-L48 HydrophobicContact CB-CB 4.15Å; Q28-L48 HydrophobicContact CB-CD2 3.98Å; Q28-L48 HydrophobicContact CB-CG 4.48Å; Q28-L48 HydrophobicContact CG-CD2 4.08Å; Q28-L48 PolarHBondContact N-O 3.14Å; Q28-L48 WeakPolarHBondContact O-CB 3.43Å; Q28-L48 PolarHBondContact O-N 3.06Å; L48-K50 HydrophobicContact CD2-CB 4.15Å; L48-A56 HydrophobicContact CD1-CB 3.98Å; L48-A56 HydrophobicContact CG-CB 4.02Å; L48-I57 CarbonylContact C-O 3.54Å; L48-I57 VanDerWaalsContact CA-O 3.26Å; L48-I57 WeakPolarHBondContact CA-O 3.32Å; L48-L58 HydrophobicContact CB-CD2 4.27Å; L48-F69 HydrophobicContact CB-CD2 3.73Å; L48-F69 HydrophobicContact CB-CE2 3.86Å; L48-F69 HydrophobicContact CD1-CD1 3.83Å; L48-F69 HydrophobicContact CD1-CD2 3.55Å; L48-F69 HydrophobicContact CD1-CE1 3.68Å; L48-F69 HydrophobicContact CD1-CE2 3.41Å; L48-F69 VanDerWaalsContact CD1-CE2 3.41Å; L48-F69 HydrophobicContact CD1-CG 3.78Å; L48-F69 HydrophobicContact CD1-CZ 3.47Å; L48-F69 VanDerWaalsContact CD1-CZ 3.47Å; L48-F69 HydrophobicContact CG-CD2 4Å; L48-F69 HydrophobicContact CG-CE2 4.17Å; L48-F69 HydrophobicContact CG-CG 4.36Å
49	C	36.8	Very low	40.2	Very low	32 Å²	32	68 Å²	68	22%	0.216	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.1	166.4	-61.6	0	0	0	0	107.1	I47 A56 I57	I47-C49 PolarHBondContact O-N 2.92Å; C49-A56 CarbonylContact O-C 3.58Å; C49-A56 VanDerWaalsContact O-CA 3.24Å; C49-A56 WeakPolarHBondContact O-CA 3.49Å; C49-A56 WeakPolarHBondContact O-CB 3.5Å; C49-I57 HydrophobicContact CB-CD1 4.48Å; C49-I57 HydrophobicContact CB-CG1 3.88Å; C49-I57 PolarHBondContact N-O 3.21Å; C49-I57 PolarHBondContact O-N 2.82Å
50	K	38.4	Very low	40.1	Very low	115 Å²	115	61.1 Å²	61.1	50%	0.5	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.8	-173.1	-171.2	152.2	-174.8	164.5	0	111.8	L48 S52 L53 I55 A56	L48-K50 HydrophobicContact CD2-CB 4.15Å; K50-S52 WeakPolarHBondContact CE-O 3.29Å; K50-S52 WeakPolarHBondContact CG-O 3.28Å; K50-L53 WeakPolarHBondContact CE-O 3.41Å; K50-L53 PolarHBondContact NZ-O 2.96Å; K50-I55 CarbonylContact C-O 3.59Å; K50-A56 HydrophobicContact CB-CB 4.3Å; K50-A56 HydrophobicContact CG-CB 4.43Å
51	I	34.3	Very low	39.6	Very low	62 Å²	62	59.2 Å²	59.2	32%	0.318	32%	0.317	S	S	.	.			trans	-88.9	-35.9	-175	-65.8	176.4	0	0	0	111.9	I55 I57 L249	I51-I55 HydrophobicContact CB-CB 4.03Å; I51-I55 HydrophobicContact CB-CG2 3.83Å; I51-I55 HydrophobicContact CD1-CG2 4.08Å; I51-I55 HydrophobicContact CG1-CG2 4.42Å; I51-I55 HydrophobicContact CG2-CB 4.33Å; I51-I55 HydrophobicContact CG2-CG2 4.16Å; I51-I55 PolarHBondContact N-O 2.94Å; I51-I57 HydrophobicContact CD1-CD1 4.03Å; I51-I57 HydrophobicContact CD1-CG1 4.09Å; I51-I57 HydrophobicContact CD1-CG2 3.86Å; I51-L249 HydrophobicContact CG2-CD1 4.18Å; I51-L249 HydrophobicContact CG2-CD2 4.42Å
52	S	30.5	Very low	39.4	Very low	36 Å²	36	58.8 Å²	58.8	25%	0.252	30%	0.295	S	S	.	.	S	Bend	trans	-143.7	-171.2	174.2	83.7	0	0	0	0	110.6	K50 E54 I55	K50-S52 WeakPolarHBondContact CE-O 3.29Å; K50-S52 WeakPolarHBondContact CG-O 3.28Å; S52-E54 PolarHBondContact O-N 2.79Å; S52-E54 PolarHBondContact OG-N 2.99Å; S52-E54 VanDerWaalsContact OG-N 3.09Å; S52-I55 PolarHBondContact N-O 3.36Å; S52-I55 VanDerWaalsContact N-O 3.08Å; S52-I55 WeakPolarHBondContact OG-CG1 3.13Å; S52-I55 PolarHBondContact OG-N 2.67Å
53	L	29.1	Very low	39.1	Very low	132 Å²	132	54.2 Å²	54.2	69%	0.691	28%	0.28	S	S	*	.	S	Bend	trans	-62	-31.5	170.4	-75.8	169	0	0	0	112.1	K50	K50-L53 WeakPolarHBondContact CE-O 3.41Å; K50-L53 PolarHBondContact NZ-O 2.96Å
54	E	29.6	Very low	38.4	Very low	83 Å²	83	49.1 Å²	49.1	39%	0.388	25%	0.254	S	S	.	.	S	Bend	trans	-94.9	-42.2	-179.2	-62.7	140.7	-105.9	0	0	112.5	S52 E230	S52-E54 PolarHBondContact O-N 2.79Å; S52-E54 PolarHBondContact OG-N 2.99Å; S52-E54 VanDerWaalsContact OG-N 3.09Å; E54-E230 HydrophobicContact CG-CB 3.94Å; E54-E230 HydrophobicContact CG-CG 4.07Å; E54-E230 PolarHBondContact OE2-N 2.85Å
55	I	32.5	Very low	38.2	Very low	76 Å²	76	50 Å²	50	39%	0.39	26%	0.26	S	S	.	.			trans	-95.7	135.8	-164.2	-53.8	165.2	0	0	0	111.3	K50 I51 S52	K50-I55 CarbonylContact C-O 3.59Å; I51-I55 HydrophobicContact CB-CB 4.03Å; I51-I55 HydrophobicContact CB-CG2 3.83Å; I51-I55 HydrophobicContact CD1-CG2 4.08Å; I51-I55 HydrophobicContact CG1-CG2 4.42Å; I51-I55 HydrophobicContact CG2-CB 4.33Å; I51-I55 HydrophobicContact CG2-CG2 4.16Å; I51-I55 PolarHBondContact N-O 2.94Å; S52-I55 PolarHBondContact N-O 3.36Å; S52-I55 VanDerWaalsContact N-O 3.08Å; S52-I55 WeakPolarHBondContact OG-CG1 3.13Å; S52-I55 PolarHBondContact OG-N 2.67Å
56	A	34.5	Very low	37.8	Very low	13 Å²	13	47.1 Å²	47.1	11%	0.107	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.6	166.3	0	0	0	0	0	112	L48 C49 K50 F69	L48-A56 HydrophobicContact CD1-CB 3.98Å; L48-A56 HydrophobicContact CG-CB 4.02Å; C49-A56 CarbonylContact O-C 3.58Å; C49-A56 VanDerWaalsContact O-CA 3.24Å; C49-A56 WeakPolarHBondContact O-CA 3.49Å; C49-A56 WeakPolarHBondContact O-CB 3.5Å; K50-A56 HydrophobicContact CB-CB 4.3Å; K50-A56 HydrophobicContact CG-CB 4.43Å; A56-F69 HydrophobicContact CB-CB 3.49Å; A56-F69 VanDerWaalsContact CB-CB 3.49Å; A56-F69 HydrophobicContact CB-CD1 3.95Å; A56-F69 HydrophobicContact CB-CG 3.83Å; A56-F69 VanDerWaalsContact O-CB 3.26Å; A56-F69 WeakPolarHBondContact O-CB 3.31Å; A56-F69 PolarHBondContact O-N 3.16Å
57	I	39.8	Very low	37.6	Very low	37 Å²	37	48.1 Å²	48.1	19%	0.19	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.9	177.8	54.4	175.5	0	0	0	110.9	L48 C49 I51 I66 Y67	L48-I57 CarbonylContact C-O 3.54Å; L48-I57 VanDerWaalsContact CA-O 3.26Å; L48-I57 WeakPolarHBondContact CA-O 3.32Å; C49-I57 HydrophobicContact CB-CD1 4.48Å; C49-I57 HydrophobicContact CB-CG1 3.88Å; C49-I57 PolarHBondContact N-O 3.21Å; C49-I57 PolarHBondContact O-N 2.82Å; I51-I57 HydrophobicContact CD1-CD1 4.03Å; I51-I57 HydrophobicContact CD1-CG1 4.09Å; I51-I57 HydrophobicContact CD1-CG2 3.86Å; I57-I66 HydrophobicContact CB-CG2 3.95Å; I57-I66 HydrophobicContact CD1-CG2 3.75Å; I57-I66 HydrophobicContact CG1-CG2 4.36Å; I57-I66 HydrophobicContact CG2-CG2 4.06Å; I57-Y67 CarbonylContact C-O 3.54Å; I57-Y67 WeakPolarHBondContact CA-O 3.41Å; I57-Y67 WeakPolarHBondContact CB-O 3.49Å
58	L	42.1	Very low	37.3	Very low	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	102.1	170.3	-73.3	174	0	0	0	110	A30 L46 I47 L48 Y67 P68 F69 L71 F76	A30-L58 HydrophobicContact CB-CD2 3.47Å; A30-L58 VanDerWaalsContact CB-CD2 3.47Å; L46-L58 HydrophobicContact CB-CB 4.36Å; L46-L58 HydrophobicContact CB-CD2 4.22Å; L46-L58 HydrophobicContact CD1-CB 3.74Å; L46-L58 HydrophobicContact CD1-CD1 4.38Å; I47-L58 CarbonylContact O-C 3.4Å; I47-L58 WeakPolarHBondContact O-CA 3.29Å; L48-L58 HydrophobicContact CB-CD2 4.27Å; L58-Y67 CarbonylContact C-O 3.59Å; L58-Y67 PolarHBondContact N-O 3.1Å; L58-Y67 WeakPolarHBondContact O-CA 3.14Å; L58-Y67 WeakPolarHBondContact O-CB 3.38Å; L58-Y67 WeakPolarHBondContact O-CD2 3.33Å; L58-Y67 PolarHBondContact O-N 3.1Å; L58-P68 WeakPolarHBondContact CD1-O 3.19Å; L58-F69 HydrophobicContact CD1-CD2 4.41Å; L58-F69 HydrophobicContact CD2-CD2 3.62Å; L58-F69 HydrophobicContact CD2-CE2 4.13Å; L58-F69 HydrophobicContact CG-CB 4.41Å; L58-F69 HydrophobicContact CG-CD2 3.79Å; L58-L71 HydrophobicContact CD1-CB 4.32Å; L58-L71 HydrophobicContact CD1-CD1 4.39Å; L58-F76 HydrophobicContact CD1-CD2 4.44Å
59	C	42.3	Very low	37.1	Very low	31 Å²	31	52.1 Å²	52.1	21%	0.209	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.4	174.5	-66.2	0	0	0	0	111.9	L46 I47	L46-C59 WeakPolarHBondContact CA-O 3.37Å; I47-C59 PolarHBondContact N-O 3.18Å; I47-C59 PolarHBondContact O-N 2.99Å
60	C	44.6	Very low	37	Very low	3 Å²	3	55.8 Å²	55.8	2%	0.02	30%	0.298	C	S	.	.			trans	-94.6	121.7	164	-178.4	0	0	0	0	112.1	C34 L46 E62 T63 D64 C65 Y67	C34-C60 HydrophobicContact CB-CB 4.13Å; C34-C60 WeakPolarHBondContact CB-SG 3.43Å; C34-C60 WeakPolarHBondContact SG-CB 3.46Å; C34-C60 CovalentContact SG-SG 2.01Å; C34-C60 PolarHBondContact SG-SG 3.2Å; L46-C60 HydrophobicContact CD2-CB 3.43Å; L46-C60 VanDerWaalsContact CD2-CB 3.43Å; C60-E62 PolarHBondContact O-N 3.47Å; C60-E62 PolarHBondContact SG-N 3.16Å; C60-T63 PolarHBondContact SG-N 2.86Å; C60-T63 PolarHBondContact SG-OG1 3.06Å; C60-D64 PolarHBondContact O-N 2.84Å; C60-D64 VanDerWaalsContact O-N 3.14Å; C60-C65 HydrophobicContact CB-CB 4.44Å; C60-C65 PolarHBondContact N-O 2.76Å; C60-Y67 HydrophobicContact CB-CE2 3.95Å
61	P	39.4	Very low	36.6	Very low	75 Å²	75	51.7 Å²	51.7	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.7	-179.5	33.3	-36.5	0	0	0	114.2	T44 R45 I47	T44-P61 HydrophobicContact CG2-CG 3.66Å; R45-P61 VanDerWaalsContact O-CD 3.23Å; R45-P61 WeakPolarHBondContact O-CD 3.47Å; I47-P61 HydrophobicContact CD1-CB 4.02Å; I47-P61 HydrophobicContact CD1-CG 3.87Å
62	E	41.1	Very low	36.4	Very low	66 Å²	66	51 Å²	51	31%	0.308	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-11.9	177.9	-83.1	-167.3	-105.8	0	0	114.5	C37 R42 T44 C60 F137	C37-E62 WeakPolarHBondContact SG-CB 3.25Å; R42-E62 WeakPolarHBondContact CD-OE2 3.44Å; R42-E62 IonicContact CZ-OE2 3.58Å; R42-E62 IonicContact NE-OE2 3.7Å; R42-E62 IonicContact NH1-OE2 2.68Å; R42-E62 PolarHBondContact NH1-OE2 3.23Å; T44-E62 WeakPolarHBondContact CB-OE1 3.16Å; T44-E62 HydrophobicContact CG2-CB 3.99Å; T44-E62 HydrophobicContact CG2-CG 3.76Å; T44-E62 WeakPolarHBondContact CG2-OE1 3.39Å; T44-E62 PolarHBondContact OG1-OE1 3.47Å; C60-E62 PolarHBondContact O-N 3.47Å; C60-E62 PolarHBondContact SG-N 3.16Å; E62-F137 WeakPolarHBondContact O-CZ 3.07Å
63	T	41.9	Very low	36.3	Very low	17 Å²	17	54.3 Å²	54.3	10%	0.104	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	16.3	173.7	51	0	0	0	0	116	C34 L36 C60 C65 F137	C34-T63 PolarHBondContact SG-OG1 3.01Å; L36-T63 HydrophobicContact CB-CG2 3.68Å; L36-T63 HydrophobicContact CD1-CG2 4.49Å; C60-T63 PolarHBondContact SG-N 2.86Å; C60-T63 PolarHBondContact SG-OG1 3.06Å; T63-C65 PolarHBondContact O-N 3.2Å; T63-C65 PolarHBondContact O-SG 2.81Å; T63-F137 WeakPolarHBondContact O-CE2 3.35Å
64	D	38.3	Very low	36.4	Very low	36 Å²	36	52.8 Å²	52.8	19%	0.193	27%	0.273	C	S	.	.			trans	49.2	17.6	172.7	-76.2	3.7	0	0	0	114.9	C60 I66 F137 R138 L141	C60-D64 PolarHBondContact O-N 2.84Å; C60-D64 VanDerWaalsContact O-N 3.14Å; D64-I66 PolarHBondContact O-N 3.49Å; D64-F137 HydrophobicContact CB-CD1 4.3Å; D64-F137 HydrophobicContact CB-CD2 3.97Å; D64-F137 HydrophobicContact CB-CE1 3.89Å; D64-F137 HydrophobicContact CB-CE2 3.53Å; D64-F137 HydrophobicContact CB-CG 4.34Å; D64-F137 HydrophobicContact CB-CZ 3.48Å; D64-F137 VanDerWaalsContact CB-CZ 3.48Å; D64-F137 WeakPolarHBondContact OD1-CE1 3.09Å; D64-F137 WeakPolarHBondContact OD1-CZ 3.09Å; D64-F137 VanDerWaalsContact OD2-C 3.26Å; D64-F137 WeakPolarHBondContact OD2-CD1 3.39Å; D64-F137 VanDerWaalsContact OD2-CE1 3.23Å; D64-F137 WeakPolarHBondContact OD2-CE1 3.17Å; D64-R138 WeakPolarHBondContact OD2-CA 3.48Å; D64-R138 PolarHBondContact OD2-N 2.9Å; D64-L141 HydrophobicContact CB-CB 4.27Å; D64-L141 HydrophobicContact CB-CD2 4.45Å; D64-L141 VanDerWaalsContact OD2-CB 3.26Å; D64-L141 WeakPolarHBondContact OD2-CB 3.08Å
65	C	39	Very low	36.5	Very low	34 Å²	34	49.1 Å²	49.1	23%	0.23	26%	0.256	C	S	.	.			trans	-79.9	107.8	176.9	-69.8	0	0	0	0	107.5	C60 T63 Y67	C60-C65 HydrophobicContact CB-CB 4.44Å; C60-C65 PolarHBondContact N-O 2.76Å; T63-C65 PolarHBondContact O-N 3.2Å; T63-C65 PolarHBondContact O-SG 2.81Å; C65-Y67 HydrophobicContact CB-CD1 3.91Å; C65-Y67 HydrophobicContact CB-CD2 3.83Å; C65-Y67 HydrophobicContact CB-CE1 3.36Å; C65-Y67 HydrophobicContact CB-CE2 3.32Å; C65-Y67 HydrophobicContact CB-CG 4.19Å; C65-Y67 WeakPolarHBondContact CB-OH 3.47Å; C65-Y67 VanDerWaalsContact O-CD2 3.26Å; C65-Y67 WeakPolarHBondContact O-CD2 3.34Å; C65-Y67 PolarHBondContact O-N 3.19Å
66	I	37.5	Very low	36.4	Very low	77 Å²	77	45.7 Å²	45.7	40%	0.395	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	96	163	-58	169.1	0	0	0	106.1	I57 D64 L141	I57-I66 HydrophobicContact CB-CG2 3.95Å; I57-I66 HydrophobicContact CD1-CG2 3.75Å; I57-I66 HydrophobicContact CG1-CG2 4.36Å; I57-I66 HydrophobicContact CG2-CG2 4.06Å; D64-I66 PolarHBondContact O-N 3.49Å; I66-L141 HydrophobicContact CD1-CD1 3.87Å; I66-L141 HydrophobicContact CG1-CD1 4.23Å
67	Y	39.1	Very low	36.2	Very low	20 Å²	20	49.3 Å²	49.3	8%	0.078	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	155.8	168.4	-44.8	-77.4	0	0	0	108.5	P35 L46 I57 L58 C60 C65 F80	P35-Y67 WeakPolarHBondContact CD-OH 3.31Å; L46-Y67 HydrophobicContact CD1-CD2 3.25Å; L46-Y67 HydrophobicContact CD1-CE2 3.56Å; L46-Y67 HydrophobicContact CD1-CG 4.21Å; L46-Y67 HydrophobicContact CD2-CD2 4.25Å; L46-Y67 HydrophobicContact CD2-CE2 3.89Å; L46-Y67 HydrophobicContact CG-CD2 4.44Å; L46-Y67 HydrophobicContact CG-CE2 4.41Å; I57-Y67 CarbonylContact C-O 3.54Å; I57-Y67 WeakPolarHBondContact CA-O 3.41Å; I57-Y67 WeakPolarHBondContact CB-O 3.49Å; L58-Y67 CarbonylContact C-O 3.59Å; L58-Y67 PolarHBondContact N-O 3.1Å; L58-Y67 WeakPolarHBondContact O-CA 3.14Å; L58-Y67 WeakPolarHBondContact O-CB 3.38Å; L58-Y67 WeakPolarHBondContact O-CD2 3.33Å; L58-Y67 PolarHBondContact O-N 3.1Å; C60-Y67 HydrophobicContact CB-CE2 3.95Å; C65-Y67 HydrophobicContact CB-CD1 3.91Å; C65-Y67 HydrophobicContact CB-CD2 3.83Å; C65-Y67 HydrophobicContact CB-CE1 3.36Å; C65-Y67 HydrophobicContact CB-CE2 3.32Å; C65-Y67 HydrophobicContact CB-CG 4.19Å; C65-Y67 WeakPolarHBondContact CB-OH 3.47Å; C65-Y67 VanDerWaalsContact O-CD2 3.26Å; C65-Y67 WeakPolarHBondContact O-CD2 3.34Å; C65-Y67 PolarHBondContact O-N 3.19Å; Y67-F80 HydrophobicContact CD1-CD1 4.36Å; Y67-F80 AromaticContact CD1-CE1 3.32Å; Y67-F80 HydrophobicContact CD1-CE1 3.32Å; Y67-F80 AromaticContact CD1-CE2 3.79Å; Y67-F80 HydrophobicContact CD1-CE2 3.79Å; Y67-F80 AromaticContact CD1-CZ 3Å; Y67-F80 HydrophobicContact CD1-CZ 3Å; Y67-F80 HydrophobicContact CD2-CZ 4.47Å; Y67-F80 AromaticContact CE1-CD1 3.71Å; Y67-F80 HydrophobicContact CE1-CD1 3.71Å; Y67-F80 HydrophobicContact CE1-CD2 4.46Å; Y67-F80 AromaticContact CE1-CE1 3.05Å; Y67-F80 HydrophobicContact CE1-CE1 3.05Å; Y67-F80 AromaticContact CE1-CE2 3.9Å; Y67-F80 HydrophobicContact CE1-CE2 3.9Å; Y67-F80 HydrophobicContact CE1-CG 4.47Å; Y67-F80 AromaticContact CE1-CZ 3.22Å; Y67-F80 HydrophobicContact CE1-CZ 3.22Å; Y67-F80 HydrophobicContact CG-CE1 4.35Å; Y67-F80 HydrophobicContact CG-CE2 4.06Å; Y67-F80 AromaticContact CG-CZ 3.66Å; Y67-F80 HydrophobicContact CG-CZ 3.66Å; Y67-F80 AromaticContact CZ-CE1 3.95Å
68	P	32.7	Very low	35.8	Very low	74 Å²	74	53.2 Å²	53.2	48%	0.481	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.2	173.6	27.6	-32.3	0	0	0	111.4	L58 L71	L58-P68 WeakPolarHBondContact CD1-O 3.19Å; P68-L71 HydrophobicContact CG-CD1 4.22Å; P68-L71 HydrophobicContact CG-CD2 4.18Å; P68-L71 HydrophobicContact CG-CG 4.03Å
69	F	36.8	Very low	35.3	Very low	71 Å²	71	57 Å²	57	31%	0.311	29%	0.291	S	S	.	.	S	Bend	trans	-82.7	163.7	161.6	-168.2	-103.4	0	0	0	109.9	L48 A56 L58	L48-F69 HydrophobicContact CB-CD2 3.73Å; L48-F69 HydrophobicContact CB-CE2 3.86Å; L48-F69 HydrophobicContact CD1-CD1 3.83Å; L48-F69 HydrophobicContact CD1-CD2 3.55Å; L48-F69 HydrophobicContact CD1-CE1 3.68Å; L48-F69 HydrophobicContact CD1-CE2 3.41Å; L48-F69 VanDerWaalsContact CD1-CE2 3.41Å; L48-F69 HydrophobicContact CD1-CG 3.78Å; L48-F69 HydrophobicContact CD1-CZ 3.47Å; L48-F69 VanDerWaalsContact CD1-CZ 3.47Å; L48-F69 HydrophobicContact CG-CD2 4Å; L48-F69 HydrophobicContact CG-CE2 4.17Å; L48-F69 HydrophobicContact CG-CG 4.36Å; A56-F69 HydrophobicContact CB-CB 3.49Å; A56-F69 VanDerWaalsContact CB-CB 3.49Å; A56-F69 HydrophobicContact CB-CD1 3.95Å; A56-F69 HydrophobicContact CB-CG 3.83Å; A56-F69 VanDerWaalsContact O-CB 3.26Å; A56-F69 WeakPolarHBondContact O-CB 3.31Å; A56-F69 PolarHBondContact O-N 3.16Å; L58-F69 HydrophobicContact CD1-CD2 4.41Å; L58-F69 HydrophobicContact CD2-CD2 3.62Å; L58-F69 HydrophobicContact CD2-CE2 4.13Å; L58-F69 HydrophobicContact CG-CB 4.41Å; L58-F69 HydrophobicContact CG-CD2 3.79Å
70	N	33	Very low	34.9	Very low	108 Å²	108	56.5 Å²	56.5	58%	0.578	29%	0.285	S	S	*	.	S	Bend	trans	65.5	34	-162.4	-52.2	-19.5	0	0	0	113.6	F106	N70-F106 WeakPolarHBondContact O-CD1 3.2Å
71	L	31.4	Very low	34.1	Very low	30 Å²	30	59.8 Å²	59.8	16%	0.157	30%	0.302	C	S	.	.			trans	-81.6	138.9	157.9	-74.3	173.5	0	0	0	109.8	L58 P68 Q75 F80	L58-L71 HydrophobicContact CD1-CB 4.32Å; L58-L71 HydrophobicContact CD1-CD1 4.39Å; P68-L71 HydrophobicContact CG-CD1 4.22Å; P68-L71 HydrophobicContact CG-CD2 4.18Å; P68-L71 HydrophobicContact CG-CG 4.03Å; L71-Q75 HydrophobicContact CD2-CB 4.39Å; L71-F80 HydrophobicContact CD1-CE2 3.88Å; L71-F80 HydrophobicContact CD1-CZ 4.04Å
72	Q	28.7	Very low	33.6	Very low	47 Å²	47	58.9 Å²	58.9	22%	0.22	30%	0.298	C	S	.	.			trans	-69.9	160.6	172.8	-133	175	-9.8	0	0	111.5	E74 Q75 F76 F106	Q72-E74 VanDerWaalsContact C-N 3.26Å; Q72-E74 WeakPolarHBondContact CB-OE2 3.47Å; Q72-E74 WeakPolarHBondContact CG-OE2 3.46Å; Q72-E74 PolarHBondContact O-N 3.23Å; Q72-Q75 HydrophobicContact CB-CB 4.22Å; Q72-Q75 HydrophobicContact CB-CG 3.66Å; Q72-Q75 PolarHBondContact O-N 3.42Å; Q72-F76 WeakPolarHBondContact O-CB 3.46Å; Q72-F76 PolarHBondContact O-N 3.3Å; Q72-F106 HydrophobicContact CB-CB 3.81Å; Q72-F106 HydrophobicContact CB-CD1 3.97Å; Q72-F106 HydrophobicContact CB-CD2 4.38Å; Q72-F106 HydrophobicContact CB-CG 3.86Å; Q72-F106 HydrophobicContact CG-CB 3.76Å; Q72-F106 HydrophobicContact CG-CD1 3.95Å; Q72-F106 HydrophobicContact CG-CD2 3.51Å; Q72-F106 HydrophobicContact CG-CE1 4.38Å; Q72-F106 HydrophobicContact CG-CE2 4Å; Q72-F106 HydrophobicContact CG-CG 3.51Å; Q72-F106 HydrophobicContact CG-CZ 4.41Å; Q72-F106 PolarHBondContact OE1-O 2.93Å
73	R	29.5	Very low	32.8	Very low	105 Å²	105	62.2 Å²	62.2	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-34.2	177.9	-165.3	179.2	-175	-166.9	-1.7	111.6	V32 Q77 F97	V32-R73 HydrophobicContact CG1-CG 4.04Å; R73-Q77 WeakPolarHBondContact O-CG 3.18Å; R73-Q77 PolarHBondContact O-N 2.7Å; R73-F97 VanDerWaalsContact NH2-CE1 3.34Å
74	E	30.2	Very low	32.2	Very low	101 Å²	101	68.7 Å²	68.7	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-72.2	-50.8	177.7	-57	74.7	-163.6	0	0	111.4	Q72 F76 Q77 L78	Q72-E74 VanDerWaalsContact C-N 3.26Å; Q72-E74 WeakPolarHBondContact CB-OE2 3.47Å; Q72-E74 WeakPolarHBondContact CG-OE2 3.46Å; Q72-E74 PolarHBondContact O-N 3.23Å; E74-F76 PolarHBondContact O-N 3.11Å; E74-Q77 CarbonylContact O-C 3.49Å; E74-Q77 WeakPolarHBondContact O-CA 3.44Å; E74-Q77 WeakPolarHBondContact O-CB 3.43Å; E74-Q77 PolarHBondContact O-N 3Å; E74-L78 PolarHBondContact O-N 3.18Å
75	Q	31.3	Very low	31.6	Very low	6 Å²	6	70.3 Å²	70.3	3%	0.028	38%	0.381	C	S	.	.	H	α-helix	trans	-56.5	-40.9	177.7	-58.9	174	-10.5	0	0	111.7	L71 Q72 Q77 L78 H79 F106 H107 E108	L71-Q75 HydrophobicContact CD2-CB 4.39Å; Q72-Q75 HydrophobicContact CB-CB 4.22Å; Q72-Q75 HydrophobicContact CB-CG 3.66Å; Q72-Q75 PolarHBondContact O-N 3.42Å; Q75-Q77 VanDerWaalsContact C-N 3.31Å; Q75-L78 PolarHBondContact O-N 3.39Å; Q75-H79 PolarHBondContact O-N 3.45Å; Q75-H79 VanDerWaalsContact O-N 3.09Å; Q75-F106 VanDerWaalsContact NE2-CB 3.3Å; Q75-F106 PolarHBondContact NE2-O 3.2Å; Q75-F106 VanDerWaalsContact NE2-O 3.15Å; Q75-H107 PolarHBondContact NE2-O 2.77Å; Q75-H107 VanDerWaalsContact NE2-O 3.12Å; Q75-E108 HydrophobicContact CG-CG 3.95Å
76	F	31.5	Very low	31	Very low	4 Å²	4	74.6 Å²	74.6	2%	0.018	41%	0.409	C	S	.	.	H	α-helix	trans	-62.5	-37.1	173.2	-177.7	-67	0	0	0	111.7	V32 N33 P35 L46 L58 Q72 E74 F80	V32-F76 HydrophobicContact CB-CD1 3.57Å; V32-F76 HydrophobicContact CB-CD2 3.72Å; V32-F76 HydrophobicContact CB-CE1 3.55Å; V32-F76 HydrophobicContact CB-CE2 3.55Å; V32-F76 HydrophobicContact CB-CG 3.74Å; V32-F76 HydrophobicContact CB-CZ 3.55Å; V32-F76 HydrophobicContact CG1-CB 4.31Å; V32-F76 HydrophobicContact CG1-CD1 3.33Å; V32-F76 HydrophobicContact CG1-CD2 4.21Å; V32-F76 HydrophobicContact CG1-CE1 3.71Å; V32-F76 HydrophobicContact CG1-CE2 4.39Å; V32-F76 HydrophobicContact CG1-CG 3.7Å; V32-F76 HydrophobicContact CG1-CZ 4.24Å; V32-F76 HydrophobicContact CG2-CD2 3.93Å; V32-F76 HydrophobicContact CG2-CE2 4Å; V32-F76 HydrophobicContact CG2-CG 4.22Å; V32-F76 HydrophobicContact CG2-CZ 4.49Å; V32-F76 WeakPolarHBondContact O-CZ 3.32Å; N33-F76 WeakPolarHBondContact O-CE1 3.09Å; N33-F76 WeakPolarHBondContact O-CZ 3.04Å; P35-F76 HydrophobicContact CG-CE1 4.21Å; P35-F76 HydrophobicContact CG-CZ 4.3Å; L46-F76 HydrophobicContact CB-CE2 4.11Å; L46-F76 HydrophobicContact CD1-CD2 4.19Å; L46-F76 HydrophobicContact CD1-CE2 3.27Å; L46-F76 HydrophobicContact CD1-CZ 3.88Å; L46-F76 HydrophobicContact CG-CE2 3.44Å; L46-F76 VanDerWaalsContact CG-CE2 3.44Å; L46-F76 HydrophobicContact CG-CZ 3.66Å; L58-F76 HydrophobicContact CD1-CD2 4.44Å; Q72-F76 WeakPolarHBondContact O-CB 3.46Å; Q72-F76 PolarHBondContact O-N 3.3Å; E74-F76 PolarHBondContact O-N 3.11Å; F76-F80 HydrophobicContact CB-CD2 4.48Å; F76-F80 HydrophobicContact CD1-CD2 4.36Å; F76-F80 HydrophobicContact CD2-CD2 4.36Å; F76-F80 HydrophobicContact CD2-CE2 4.34Å; F76-F80 HydrophobicContact CG-CD2 4.16Å; F76-F80 HydrophobicContact CG-CE2 4.48Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 WeakPolarHBondContact O-CD2 3.15Å; F76-F80 WeakPolarHBondContact O-CG 3.39Å
77	Q	29.9	Very low	30.4	Very low	89 Å²	89	75.6 Å²	75.6	42%	0.416	42%	0.423	S	S	.	.	H	α-helix	trans	-74	-39.9	176.1	-71.8	174.4	10.1	0	0	110.6	R73 E74 Q75 L81	R73-Q77 WeakPolarHBondContact O-CG 3.18Å; R73-Q77 PolarHBondContact O-N 2.7Å; E74-Q77 CarbonylContact O-C 3.49Å; E74-Q77 WeakPolarHBondContact O-CA 3.44Å; E74-Q77 WeakPolarHBondContact O-CB 3.43Å; E74-Q77 PolarHBondContact O-N 3Å; Q75-Q77 VanDerWaalsContact C-N 3.31Å; Q77-L81 HydrophobicContact CB-CD1 4.11Å; Q77-L81 HydrophobicContact CG-CD1 4Å; Q77-L81 WeakPolarHBondContact O-CA 3.15Å; Q77-L81 VanDerWaalsContact O-CB 3.25Å; Q77-L81 WeakPolarHBondContact O-CB 3.29Å; Q77-L81 PolarHBondContact O-N 3.17Å
78	L	32.5	Very low	29.9	Very low	118 Å²	118	82.4 Å²	82.4	62%	0.618	46%	0.46	S	S	*	.	H	α-helix	trans	-68.5	-49.2	-174.2	-88.8	158.5	0	0	0	115.9	E74 Q75 F80	E74-L78 PolarHBondContact O-N 3.18Å; Q75-L78 PolarHBondContact O-N 3.39Å; L78-F80 PolarHBondContact O-N 3.08Å
79	H	30.8	Very low	29.7	Very low	85 Å²	85	85.3 Å²	85.3	39%	0.394	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.2	-172	-84.6	-54.8	0	0	0	115.2	Q75	Q75-H79 PolarHBondContact O-N 3.45Å; Q75-H79 VanDerWaalsContact O-N 3.09Å
80	F	34	Very low	29.2	Very low	21 Å²	21	91.6 Å²	91.6	9%	0.092	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn		-157	-71.6	-119	-95.6	13.8	0	0	0	110.2	P35 Y67 L71 F76 L78	P35-F80 VanDerWaalsContact CB-CA 3.43Å; P35-F80 HydrophobicContact CB-CB 3.27Å; P35-F80 HydrophobicContact CB-CD2 4.34Å; P35-F80 HydrophobicContact CB-CG 3.83Å; P35-F80 WeakPolarHBondContact CB-O 3.39Å; P35-F80 HydrophobicContact CG-CB 3.23Å; P35-F80 HydrophobicContact CG-CD1 4Å; P35-F80 HydrophobicContact CG-CD2 3.31Å; P35-F80 HydrophobicContact CG-CE2 4.31Å; P35-F80 HydrophobicContact CG-CG 3.19Å; Y67-F80 HydrophobicContact CD1-CD1 4.36Å; Y67-F80 AromaticContact CD1-CE1 3.32Å; Y67-F80 HydrophobicContact CD1-CE1 3.32Å; Y67-F80 AromaticContact CD1-CE2 3.79Å; Y67-F80 HydrophobicContact CD1-CE2 3.79Å; Y67-F80 AromaticContact CD1-CZ 3Å; Y67-F80 HydrophobicContact CD1-CZ 3Å; Y67-F80 HydrophobicContact CD2-CZ 4.47Å; Y67-F80 AromaticContact CE1-CD1 3.71Å; Y67-F80 HydrophobicContact CE1-CD1 3.71Å; Y67-F80 HydrophobicContact CE1-CD2 4.46Å; Y67-F80 AromaticContact CE1-CE1 3.05Å; Y67-F80 HydrophobicContact CE1-CE1 3.05Å; Y67-F80 AromaticContact CE1-CE2 3.9Å; Y67-F80 HydrophobicContact CE1-CE2 3.9Å; Y67-F80 HydrophobicContact CE1-CG 4.47Å; Y67-F80 AromaticContact CE1-CZ 3.22Å; Y67-F80 HydrophobicContact CE1-CZ 3.22Å; Y67-F80 HydrophobicContact CG-CE1 4.35Å; Y67-F80 HydrophobicContact CG-CE2 4.06Å; Y67-F80 AromaticContact CG-CZ 3.66Å; Y67-F80 HydrophobicContact CG-CZ 3.66Å; Y67-F80 AromaticContact CZ-CE1 3.95Å; L71-F80 HydrophobicContact CD1-CE2 3.88Å; L71-F80 HydrophobicContact CD1-CZ 4.04Å; F76-F80 HydrophobicContact CB-CD2 4.48Å; F76-F80 HydrophobicContact CD1-CD2 4.36Å; F76-F80 HydrophobicContact CD2-CD2 4.36Å; F76-F80 HydrophobicContact CD2-CE2 4.34Å; F76-F80 HydrophobicContact CG-CD2 4.16Å; F76-F80 HydrophobicContact CG-CE2 4.48Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 WeakPolarHBondContact O-CD2 3.15Å; F76-F80 WeakPolarHBondContact O-CG 3.39Å; L78-F80 PolarHBondContact O-N 3.08Å
81	L	26.6	Very low	28.9	Very low	72 Å²	72	93 Å²	93	38%	0.377	50%	0.495	S	S	.	.	S	Bend	trans	-64.4	158.9	156.8	-60.3	172.7	0	0	0	106.6	S38 Q77	S38-L81 VanDerWaalsContact CB-CD2 3.41Å; Q77-L81 HydrophobicContact CB-CD1 4.11Å; Q77-L81 HydrophobicContact CG-CD1 4Å; Q77-L81 WeakPolarHBondContact O-CA 3.15Å; Q77-L81 VanDerWaalsContact O-CB 3.25Å; Q77-L81 WeakPolarHBondContact O-CB 3.29Å; Q77-L81 PolarHBondContact O-N 3.17Å
82	S	29	Very low	28.6	Very low	56 Å²	56	99.1 Å²	99.1	39%	0.392	53%	0.528	S	S	.	.			trans	-147	129	166.7	-41.1	0	0	0	0	109.9	R39	R39-S82 WeakPolarHBondContact CD-OG 3.45Å; R39-S82 VanDerWaalsContact CZ-OG 3.26Å; R39-S82 PolarHBondContact NH1-OG 2.95Å
83	V	26.1	Very low	28.6	Very low	135 Å²	135	106.6 Å²	106.6	82%	0.818	56%	0.56	S	S	*	*			trans	-69.7	145.9	167	-175.8	0	0	0	0	108.3
84	D	29.1	Very low	28.6	Very low	153 Å²	153	108.7 Å²	108.7	82%	0.818	58%	0.579	S	S	*	*			trans	122.7	87.4	-175.6	-72.7	-16	0	0	0	109.1
85	G	24.6	Very low	28.4	Very low	70 Å²	70	112.8 Å²	112.8	72%	0.722	60%	0.597	S	S	*	*			cis	130.9	159.7	5.9	0	0	0	0	0	110.6
86	P	25.8	Very low	28.3	Very low	124 Å²	124	121.4 Å²	121.4	81%	0.805	64%	0.638	S	S	*	*			cis	-117.5	-151.5	-19.8	35.3	-15.5	0	0	0	111.4
87	S	24.8	Very low	28.2	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	67%	0.672	S	S	*	*			trans	88.8	11.1	155.5	-49.9	0	0	0	0	122.1
88	L	28.7	Very low	28	Very low	163 Å²	163	128.2 Å²	128.2	85%	0.853	68%	0.679	S	S	*	*			trans	-128.3	89.5	157.3	-72.2	176.7	0	0	0	108.2
89	L	30.2	Very low	27.6	Very low	136 Å²	136	131.7 Å²	131.7	71%	0.712	69%	0.686	S	S	*	*				63	88.8	87.3	-63.8	179.3	0	0	0	110.3
90	R	26.1	Very low	27.5	Very low	203 Å²	203	134 Å²	134	77%	0.766	71%	0.705	S	S	*	*				91.4	145	64.4	-84.3	-173.5	166.2	-163.8	-2.1	112.7	D92	R90-D92 PolarHBondContact O-N 3.24Å; R90-D92 VanDerWaalsContact O-N 3.12Å
91	E	26.4	Very low	27.3	Very low	138 Å²	138	139.1 Å²	139.1	65%	0.645	73%	0.734	S	S	*	*	S	Bend	trans	71.7	-60.9	168.2	-71.4	124	-125	0	0	118.1	F93	E91-F93 PolarHBondContact O-N 2.81Å
92	D	25.2	Very low	27.3	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	0.5	-161	-72.7	-13.7	0	0	0	118.8	R90	R90-D92 PolarHBondContact O-N 3.24Å; R90-D92 VanDerWaalsContact O-N 3.12Å
93	F	28.1	Very low	27.5	Very low	204 Å²	204	144.5 Å²	144.5	90%	0.895	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	16	-176.9	-92	-81.9	0	0	0	114.9	E91	E91-F93 PolarHBondContact O-N 2.81Å
94	L	28.9	Very low	27.5	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	76%	0.763	S	S	*	*	S	Bend	trans	-102.8	-5.4	-166.7	-99.9	162.2	0	0	0	116.9
95	E	27.4	Very low	27.2	Very low	186 Å²	186	142.3 Å²	142.3	87%	0.869	76%	0.758	S	S	*	*	S	Bend	trans	-104.6	-19.9	-173.1	-63.9	-163.3	133.6	0	0	115.9
96	E	29.2	Very low	27.2	Very low	188 Å²	188	143.6 Å²	143.6	88%	0.879	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	12.6	-171.1	-148.3	173.8	-148.9	0	0	115.2
97	F	28.8	Very low	27.1	Very low	165 Å²	165	145.8 Å²	145.8	72%	0.724	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	21.6	169.2	-80.2	-64.3	0	0	0	113.6	R73	R73-F97 VanDerWaalsContact NH2-CE1 3.34Å
98	A	25.4	Very low	27	Very low	70 Å²	70	146.5 Å²	146.5	58%	0.579	74%	0.735	S	S	*	*			trans	-67.3	144.9	166.5	0	0	0	0	0	111.2
99	Y	24.8	Very low	26.7	Very low	192 Å²	192	143.7 Å²	143.7	75%	0.753	73%	0.725	S	S	*	*			trans	64.9	82.8	178.6	-62.2	-79.8	0	0	0	117.3	D101	Y99-D101 WeakPolarHBondContact CD1-OD2 3.43Å
100	V	28.7	Very low	26.4	Very low	133 Å²	133	145.1 Å²	145.1	81%	0.806	73%	0.728	S	S	*	*			trans	-130.3	101.8	130.1	-178.6	0	0	0	0	106.7	D102	V100-D102 PolarHBondContact O-N 3.27Å
101	D	28.6	Very low	26.4	Very low	128 Å²	128	140.4 Å²	140.4	68%	0.684	72%	0.717	S	S	*	*			trans	-81.5	106.6	-174.9	-63.4	-46.9	0	0	0	112.1	Y99	Y99-D101 WeakPolarHBondContact CD1-OD2 3.43Å
102	D	28.3	Very low	26.4	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	71%	0.705	S	S	*	*			trans	69.1	176.8	142.2	-132.4	26.2	0	0	0	116.9	V100	V100-D102 PolarHBondContact O-N 3.27Å
103	P	33.1	Very low	26.6	Very low	93 Å²	93	138 Å²	138	60%	0.604	70%	0.699	S	S	*	*				-129.9	169	-100.5	40.3	-24.5	0	0	0	115.1
104	E	24.5	Very low	26.7	Very low	174 Å²	174	130.7 Å²	130.7	81%	0.813	68%	0.681	S	S	*	*			trans	175.1	120.8	135.6	-99	170.2	-167.4	0	0	113.4
105	G	24.3	Very low	26.8	Very low	68 Å²	68	127.5 Å²	127.5	70%	0.701	66%	0.664	S	S	*	*			trans	48.4	92.9	146.7	0	0	0	0	0	122.1
106	F	24.4	Very low	27	Very low	97 Å²	97	119.7 Å²	119.7	43%	0.425	63%	0.63	S	S	.	*			trans	-128.3	152.4	154.5	-57.1	-141.6	0	0	0	108.8	N70 Q72 Q75	N70-F106 WeakPolarHBondContact O-CD1 3.2Å; Q72-F106 HydrophobicContact CB-CB 3.81Å; Q72-F106 HydrophobicContact CB-CD1 3.97Å; Q72-F106 HydrophobicContact CB-CD2 4.38Å; Q72-F106 HydrophobicContact CB-CG 3.86Å; Q72-F106 HydrophobicContact CG-CB 3.76Å; Q72-F106 HydrophobicContact CG-CD1 3.95Å; Q72-F106 HydrophobicContact CG-CD2 3.51Å; Q72-F106 HydrophobicContact CG-CE1 4.38Å; Q72-F106 HydrophobicContact CG-CE2 4Å; Q72-F106 HydrophobicContact CG-CG 3.51Å; Q72-F106 HydrophobicContact CG-CZ 4.41Å; Q72-F106 PolarHBondContact OE1-O 2.93Å; Q75-F106 VanDerWaalsContact NE2-CB 3.3Å; Q75-F106 PolarHBondContact NE2-O 3.2Å; Q75-F106 VanDerWaalsContact NE2-O 3.15Å
107	H	23.8	Very low	27.1	Very low	170 Å²	170	114.7 Å²	114.7	79%	0.787	61%	0.607	S	S	*	*			trans	-113	139.2	-177.1	-62.5	-79	0	0	0	113.9	Q75	Q75-H107 PolarHBondContact NE2-O 2.77Å; Q75-H107 VanDerWaalsContact NE2-O 3.12Å
108	E	21.9	Very low	27.2	Very low	113 Å²	113	110.4 Å²	110.4	53%	0.528	59%	0.589	S	S	.	*			trans	-66.7	156.4	172.3	-66	-177.7	132.7	0	0	111.9	Q75	Q75-E108 HydrophobicContact CG-CG 3.95Å
109	V	23.2	Very low	27.6	Very low	103 Å²	103	110.9 Å²	110.9	62%	0.624	58%	0.581	S	S	*	*			trans	-129.5	107.8	179.2	-178.7	0	0	0	0	110.6	I111	V109-I111 PolarHBondContact O-N 3.43Å; V109-I111 VanDerWaalsContact O-N 3.08Å
110	E	23.3	Very low	27.9	Very low	166 Å²	166	108.2 Å²	108.2	78%	0.776	57%	0.569	S	S	*	*			trans	-64.1	109	175.9	-77.7	-159.4	123.3	0	0	112.7	S112	E110-S112 PolarHBondContact O-N 3Å
111	I	26.7	Very low	28.1	Very low	105 Å²	105	105.3 Å²	105.3	54%	0.538	56%	0.555	S	S	.	*			trans	-68.1	112.3	159.8	-58.8	176.2	0	0	0	107.4	V109 L115 I119	V109-I111 PolarHBondContact O-N 3.43Å; V109-I111 VanDerWaalsContact O-N 3.08Å; I111-L115 HydrophobicContact CG2-CB 4.14Å; I111-L115 HydrophobicContact CG2-CD2 4.2Å; I111-I119 HydrophobicContact CG2-CD1 4.38Å
112	S	26.1	Very low	28.3	Very low	57 Å²	57	105.2 Å²	105.2	40%	0.399	55%	0.545	S	S	.	.			trans	-55.4	144.7	-175.6	77.1	0	0	0	0	111.3	E110 G114 L115 S116	E110-S112 PolarHBondContact O-N 3Å; S112-G114 PolarHBondContact O-N 2.7Å; S112-G114 VanDerWaalsContact O-N 3.12Å; S112-L115 CarbonylContact O-C 3.44Å; S112-L115 WeakPolarHBondContact O-CA 3.22Å; S112-L115 PolarHBondContact O-N 2.88Å; S112-L115 WeakPolarHBondContact OG-CB 3.23Å; S112-L115 PolarHBondContact OG-N 3.05Å; S112-S116 PolarHBondContact O-N 2.98Å
113	R	28.8	Very low	28.3	Very low	187 Å²	187	100.2 Å²	100.2	71%	0.706	52%	0.522	S	S	*	.	H	α-helix	trans	-55.1	-36.9	-175.7	-174.1	171.5	177.6	165.2	0.3	113.3	S116 E117	R113-S116 PolarHBondContact O-N 3.38Å; R113-S116 PolarHBondContact O-OG 3.46Å; R113-S116 VanDerWaalsContact O-OG 3.09Å; R113-E117 HydrophobicContact CG-CG 4.39Å; R113-E117 WeakPolarHBondContact CG-OE1 3.49Å; R113-E117 IonicContact CZ-OE1 2.63Å; R113-E117 IonicContact NE-OE1 3.93Å; R113-E117 PolarHBondContact NE-OE1 2.89Å; R113-E117 IonicContact NH2-OE1 2.68Å; R113-E117 PolarHBondContact NH2-OE1 3.48Å; R113-E117 VanDerWaalsContact O-CB 3.32Å; R113-E117 WeakPolarHBondContact O-CB 3.39Å; R113-E117 WeakPolarHBondContact O-CG 3.42Å; R113-E117 PolarHBondContact O-N 2.7Å
114	G	30.4	Very low	28.1	Very low	50 Å²	50	100.8 Å²	100.8	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-44.6	172.8	0	0	0	0	0	113.1	S112 S116 E117 E118	S112-G114 PolarHBondContact O-N 2.7Å; S112-G114 VanDerWaalsContact O-N 3.12Å; G114-S116 VanDerWaalsContact C-N 3.34Å; G114-E117 PolarHBondContact O-N 3.39Å; G114-E118 VanDerWaalsContact O-CB 3.25Å; G114-E118 WeakPolarHBondContact O-CB 3.11Å; G114-E118 PolarHBondContact O-N 3.35Å
115	L	32	Very low	28.4	Very low	83 Å²	83	94.8 Å²	94.8	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-68.9	-34	175.1	-155.8	82	0	0	0	111.4	I111 S112 E118 I119	I111-L115 HydrophobicContact CG2-CB 4.14Å; I111-L115 HydrophobicContact CG2-CD2 4.2Å; S112-L115 CarbonylContact O-C 3.44Å; S112-L115 WeakPolarHBondContact O-CA 3.22Å; S112-L115 PolarHBondContact O-N 2.88Å; S112-L115 WeakPolarHBondContact OG-CB 3.23Å; S112-L115 PolarHBondContact OG-N 3.05Å; L115-E118 PolarHBondContact O-N 2.97Å; L115-I119 HydrophobicContact CD2-CD1 4.1Å; L115-I119 HydrophobicContact CG-CD1 4.02Å; L115-I119 WeakPolarHBondContact O-CB 3.5Å; L115-I119 WeakPolarHBondContact O-CD1 3.01Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3Å
116	S	30.1	Very low	28.8	Very low	23 Å²	23	98.7 Å²	98.7	16%	0.161	50%	0.498	C	S	.	.	H	α-helix	trans	-72	-30.2	176.3	87	0	0	0	0	112.2	S112 R113 G114 R120	S112-S116 PolarHBondContact O-N 2.98Å; R113-S116 PolarHBondContact O-N 3.38Å; R113-S116 PolarHBondContact O-OG 3.46Å; R113-S116 VanDerWaalsContact O-OG 3.09Å; G114-S116 VanDerWaalsContact C-N 3.34Å; S116-R120 WeakPolarHBondContact O-CB 3.39Å; S116-R120 VanDerWaalsContact O-CD 3.31Å; S116-R120 WeakPolarHBondContact O-CD 3.45Å; S116-R120 WeakPolarHBondContact O-CG 3.5Å; S116-R120 PolarHBondContact O-N 3.28Å
117	E	31.6	Very low	29	Very low	83 Å²	83	98 Å²	98	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-83.1	-28.7	173.9	-71.9	170.8	-179.2	0	0	112.1	R113 G114 S121	R113-E117 HydrophobicContact CG-CG 4.39Å; R113-E117 WeakPolarHBondContact CG-OE1 3.49Å; R113-E117 IonicContact CZ-OE1 2.63Å; R113-E117 IonicContact NE-OE1 3.93Å; R113-E117 PolarHBondContact NE-OE1 2.89Å; R113-E117 IonicContact NH2-OE1 2.68Å; R113-E117 PolarHBondContact NH2-OE1 3.48Å; R113-E117 VanDerWaalsContact O-CB 3.32Å; R113-E117 WeakPolarHBondContact O-CB 3.39Å; R113-E117 WeakPolarHBondContact O-CG 3.42Å; R113-E117 PolarHBondContact O-N 2.7Å; G114-E117 PolarHBondContact O-N 3.39Å; E117-S121 VanDerWaalsContact O-CB 3.27Å; E117-S121 WeakPolarHBondContact O-CB 3.49Å; E117-S121 PolarHBondContact O-N 3.05Å; E117-S121 PolarHBondContact O-OG 2.96Å
118	E	32.3	Very low	29.2	Very low	75 Å²	75	92 Å²	92	35%	0.35	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-43.1	166.3	-171.1	175.4	-169.3	0	0	111.2	G114 L115 S121 R122	G114-E118 VanDerWaalsContact O-CB 3.25Å; G114-E118 WeakPolarHBondContact O-CB 3.11Å; G114-E118 PolarHBondContact O-N 3.35Å; L115-E118 PolarHBondContact O-N 2.97Å; E118-S121 WeakPolarHBondContact CA-OG 3.19Å; E118-S121 PolarHBondContact O-OG 3.34Å; E118-S121 VanDerWaalsContact O-OG 3.12Å; E118-R122 VanDerWaalsContact O-CB 3.22Å; E118-R122 WeakPolarHBondContact O-CB 3.1Å; E118-R122 VanDerWaalsContact O-CG 3.29Å; E118-R122 WeakPolarHBondContact O-CG 3.38Å; E118-R122 PolarHBondContact O-N 3.15Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NH1 2.67Å; E118-R122 PolarHBondContact OE1-NH1 3.36Å; E118-R122 IonicContact OE1-NH2 3.19Å; E118-R122 PolarHBondContact OE1-NH2 2.9Å
119	I	32.8	Very low	29.4	Very low	79 Å²	79	88.8 Å²	88.8	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-68.4	-44.2	172.9	-71.2	165.6	0	0	0	110.4	I111 L115 S121 R122 C123	I111-I119 HydrophobicContact CG2-CD1 4.38Å; L115-I119 HydrophobicContact CD2-CD1 4.1Å; L115-I119 HydrophobicContact CG-CD1 4.02Å; L115-I119 WeakPolarHBondContact O-CB 3.5Å; L115-I119 WeakPolarHBondContact O-CD1 3.01Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3Å; I119-S121 PolarHBondContact O-N 3.1Å; I119-R122 CarbonylContact O-C 3.53Å; I119-R122 PolarHBondContact O-N 3Å; I119-C123 HydrophobicContact CG2-CB 4.42Å; I119-C123 WeakPolarHBondContact O-CA 3.35Å; I119-C123 WeakPolarHBondContact O-CB 3.32Å; I119-C123 PolarHBondContact O-N 3.24Å; I119-C123 PolarHBondContact O-SG 3.07Å
120	R	31.4	Very low	29.7	Very low	136 Å²	136	88.3 Å²	88.3	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-47.7	174.6	-78.4	163	-176.5	171.6	1	111.3	S116 R122 C123 L124	S116-R120 WeakPolarHBondContact O-CB 3.39Å; S116-R120 VanDerWaalsContact O-CD 3.31Å; S116-R120 WeakPolarHBondContact O-CD 3.45Å; S116-R120 WeakPolarHBondContact O-CG 3.5Å; S116-R120 PolarHBondContact O-N 3.28Å; R120-R122 VanDerWaalsContact C-N 3.3Å; R120-R122 PolarHBondContact O-N 3.03Å; R120-C123 PolarHBondContact O-N 2.88Å; R120-L124 HydrophobicContact CB-CD1 3.79Å; R120-L124 HydrophobicContact CB-CG 4.18Å; R120-L124 HydrophobicContact CG-CD1 4.08Å; R120-L124 HydrophobicContact CG-CG 4.46Å; R120-L124 WeakPolarHBondContact O-CB 3.48Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.33Å
121	S	33.1	Very low	29.9	Very low	72 Å²	72	87.6 Å²	87.6	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-28.8	178	57.5	0	0	0	0	113.3	E117 E118 I119 R140	E117-S121 VanDerWaalsContact O-CB 3.27Å; E117-S121 WeakPolarHBondContact O-CB 3.49Å; E117-S121 PolarHBondContact O-N 3.05Å; E117-S121 PolarHBondContact O-OG 2.96Å; E118-S121 WeakPolarHBondContact CA-OG 3.19Å; E118-S121 PolarHBondContact O-OG 3.34Å; E118-S121 VanDerWaalsContact O-OG 3.12Å; I119-S121 PolarHBondContact O-N 3.1Å; S121-R140 PolarHBondContact O-NH2 2.95Å
122	R	31.4	Very low	29.9	Very low	126 Å²	126	84.7 Å²	84.7	48%	0.475	49%	0.489	S	S	.	.	H	α-helix	trans	-90.8	-10.4	174.6	-69	-173.4	-172.7	140.8	17.5	115.8	E118 I119 R120 R140	E118-R122 VanDerWaalsContact O-CB 3.22Å; E118-R122 WeakPolarHBondContact O-CB 3.1Å; E118-R122 VanDerWaalsContact O-CG 3.29Å; E118-R122 WeakPolarHBondContact O-CG 3.38Å; E118-R122 PolarHBondContact O-N 3.15Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NH1 2.67Å; E118-R122 PolarHBondContact OE1-NH1 3.36Å; E118-R122 IonicContact OE1-NH2 3.19Å; E118-R122 PolarHBondContact OE1-NH2 2.9Å; I119-R122 CarbonylContact O-C 3.53Å; I119-R122 PolarHBondContact O-N 3Å; R120-R122 VanDerWaalsContact C-N 3.3Å; R120-R122 PolarHBondContact O-N 3.03Å; R122-R140 WeakPolarHBondContact O-CD 3.33Å; R122-R140 VanDerWaalsContact O-CG 3.29Å; R122-R140 WeakPolarHBondContact O-CG 3.45Å; R122-R140 PolarHBondContact O-NE 3.07Å
123	C	28.7	Very low	30.3	Very low	45 Å²	45	83.2 Å²	83.2	30%	0.304	48%	0.478	S	S	.	.	H	α-helix	trans	-124.6	-27	-176.5	-56	0	0	0	0	113.9	I119 R120 R140	I119-C123 HydrophobicContact CG2-CB 4.42Å; I119-C123 WeakPolarHBondContact O-CA 3.35Å; I119-C123 WeakPolarHBondContact O-CB 3.32Å; I119-C123 PolarHBondContact O-N 3.24Å; I119-C123 PolarHBondContact O-SG 3.07Å; R120-C123 PolarHBondContact O-N 2.88Å; C123-R140 PolarHBondContact O-NH1 2.98Å
124	L	30.3	Very low	30.5	Very low	104 Å²	104	76.5 Å²	76.5	55%	0.545	46%	0.458	S	S	.	.	S	Bend	trans	-70.8	128.2	171.2	-64.4	175.3	0	0	0	110.3	R120 I126 R140	R120-L124 HydrophobicContact CB-CD1 3.79Å; R120-L124 HydrophobicContact CB-CG 4.18Å; R120-L124 HydrophobicContact CG-CD1 4.08Å; R120-L124 HydrophobicContact CG-CG 4.46Å; R120-L124 WeakPolarHBondContact O-CB 3.48Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.33Å; L124-I126 PolarHBondContact O-N 3.39Å; L124-R140 VanDerWaalsContact O-CZ 3.31Å; L124-R140 PolarHBondContact O-NH1 3.02Å; L124-R140 PolarHBondContact O-NH2 3.1Å
125	P	30.3	Very low	30.8	Very low	49 Å²	49	79.7 Å²	79.7	32%	0.318	46%	0.463	S	S	.	.			trans	-72.1	112	175.5	28.9	-33.6	0	0	0	109.7	G127	P125-G127 VanDerWaalsContact C-N 3.29Å; P125-G127 PolarHBondContact O-N 2.95Å
126	I	33	Very low	31	Very low	150 Å²	150	78.5 Å²	78.5	77%	0.769	46%	0.459	S	S	*	.	S	Bend	trans	-78.1	81.5	-179.1	-52.8	178	0	0	0	109.1	L124	L124-I126 PolarHBondContact O-N 3.39Å
127	G	27.1	Very low	31.4	Very low	81 Å²	81	78.5 Å²	78.5	84%	0.835	46%	0.456	S	S	*	.	S	Bend	trans	83	85	175.6	0	0	0	0	0	114.2	P125	P125-G127 VanDerWaalsContact C-N 3.29Å; P125-G127 PolarHBondContact O-N 2.95Å
128	G	28	Very low	31.7	Very low	45 Å²	45	80.2 Å²	80.2	46%	0.464	46%	0.46	S	S	.	.			trans	-167.9	151.2	171.6	0	0	0	0	0	111
129	G	27.3	Very low	32.4	Very low	45 Å²	45	82.7 Å²	82.7	46%	0.464	47%	0.469	S	S	.	.			trans	-70.5	171.8	176.6	0	0	0	0	0	113.2	M131 A132 S133	G129-M131 PolarHBondContact O-N 3.19Å; G129-A132 PolarHBondContact O-N 3.11Å; G129-S133 PolarHBondContact O-N 3.24Å
130	P	30.1	Very low	32.8	Very low	94 Å²	94	80.7 Å²	80.7	61%	0.61	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	6.5	-169.4	26.8	-36.4	0	0	0	116.8	S133	P130-S133 WeakPolarHBondContact CA-OG 3.31Å; P130-S133 PolarHBondContact O-OG 3.25Å; P130-S133 VanDerWaalsContact O-OG 3.14Å
131	M	25.9	Very low	33.4	Very low	151 Å²	151	76.6 Å²	76.6	74%	0.744	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-47	168	-70.7	-66.4	-176.2	0	0	111	G129 S133 V134 D135	G129-M131 PolarHBondContact O-N 3.19Å; M131-S133 PolarHBondContact O-N 3.3Å; M131-S133 VanDerWaalsContact O-N 3.14Å; M131-V134 WeakPolarHBondContact O-CB 3.25Å; M131-V134 PolarHBondContact O-N 2.85Å; M131-D135 PolarHBondContact O-N 3.12Å
132	A	26.8	Very low	33.9	Very low	43 Å²	43	73.8 Å²	73.8	36%	0.355	43%	0.427	S	S	.	.	H	α-helix	trans	-59.6	-25.1	171.9	0	0	0	0	0	112.2	G129 V134 V136	G129-A132 PolarHBondContact O-N 3.11Å; A132-V134 PolarHBondContact O-N 2.84Å; A132-V136 VanDerWaalsContact O-CB 3.22Å; A132-V136 WeakPolarHBondContact O-CB 3.37Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.19Å
133	S	35.9	Very low	34.7	Very low	26 Å²	26	72.2 Å²	72.2	18%	0.182	43%	0.425	C	S	.	.	H	α-helix	trans	-67	-12.9	170.7	60.4	0	0	0	0	115	G129 P130 M131 F137	G129-S133 PolarHBondContact O-N 3.24Å; P130-S133 WeakPolarHBondContact CA-OG 3.31Å; P130-S133 PolarHBondContact O-OG 3.25Å; P130-S133 VanDerWaalsContact O-OG 3.14Å; M131-S133 PolarHBondContact O-N 3.3Å; M131-S133 VanDerWaalsContact O-N 3.14Å; S133-F137 WeakPolarHBondContact O-CB 3.33Å; S133-F137 WeakPolarHBondContact O-CG 3.43Å
134	V	32.4	Very low	35.3	Very low	47 Å²	47	73.3 Å²	73.3	29%	0.285	43%	0.428	S	S	.	.	H	α-helix	trans	-101.3	-43.7	178.7	-174.9	0	0	0	0	110.7	M131 A132 F137 R138	M131-V134 WeakPolarHBondContact O-CB 3.25Å; M131-V134 PolarHBondContact O-N 2.85Å; A132-V134 PolarHBondContact O-N 2.84Å; V134-F137 HydrophobicContact CB-CD1 4.48Å; V134-F137 HydrophobicContact CG1-CD1 4.15Å; V134-F137 HydrophobicContact CG1-CE1 4.26Å; V134-F137 CarbonylContact O-C 3.6Å; V134-F137 WeakPolarHBondContact O-CA 3.46Å; V134-F137 VanDerWaalsContact O-CB 3.31Å; V134-F137 WeakPolarHBondContact O-CB 3.39Å; V134-F137 VanDerWaalsContact O-CD1 3.25Å; V134-F137 WeakPolarHBondContact O-CD1 3.34Å; V134-F137 PolarHBondContact O-N 2.68Å; V134-R138 HydrophobicContact CG1-CG 4.5Å; V134-R138 PolarHBondContact O-N 2.73Å
135	D	36.8	Very low	36	Very low	116 Å²	116	69.8 Å²	69.8	62%	0.62	41%	0.409	S	S	*	.	H	α-helix	trans	-67.4	-41.9	179.4	-57.5	-38.9	0	0	0	112.5	M131 F137 K139	M131-D135 PolarHBondContact O-N 3.12Å; D135-F137 PolarHBondContact O-N 2.85Å; D135-K139 VanDerWaalsContact O-CB 3.27Å; D135-K139 WeakPolarHBondContact O-CB 3.45Å; D135-K139 PolarHBondContact O-N 3.2Å
136	V	36.6	Very low	37	Very low	59 Å²	59	71.9 Å²	71.9	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-55.3	-26.5	172.7	163.4	0	0	0	0	111.4	A132 R140	A132-V136 VanDerWaalsContact O-CB 3.22Å; A132-V136 WeakPolarHBondContact O-CB 3.37Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.19Å; V136-R140 WeakPolarHBondContact O-CD 3.06Å; V136-R140 WeakPolarHBondContact O-CG 3.39Å; V136-R140 PolarHBondContact O-N 2.94Å
137	F	36.8	Very low	37.6	Very low	22 Å²	22	67.6 Å²	67.6	10%	0.096	39%	0.387	C	S	.	.	H	α-helix	trans	-104.5	-44.5	-156.7	145.2	-77.2	0	0	0	111.5	E62 T63 D64 S133 V134 D135 K139 R140 L141	E62-F137 WeakPolarHBondContact O-CZ 3.07Å; T63-F137 WeakPolarHBondContact O-CE2 3.35Å; D64-F137 HydrophobicContact CB-CD1 4.3Å; D64-F137 HydrophobicContact CB-CD2 3.97Å; D64-F137 HydrophobicContact CB-CE1 3.89Å; D64-F137 HydrophobicContact CB-CE2 3.53Å; D64-F137 HydrophobicContact CB-CG 4.34Å; D64-F137 HydrophobicContact CB-CZ 3.48Å; D64-F137 VanDerWaalsContact CB-CZ 3.48Å; D64-F137 WeakPolarHBondContact OD1-CE1 3.09Å; D64-F137 WeakPolarHBondContact OD1-CZ 3.09Å; D64-F137 VanDerWaalsContact OD2-C 3.26Å; D64-F137 WeakPolarHBondContact OD2-CD1 3.39Å; D64-F137 VanDerWaalsContact OD2-CE1 3.23Å; D64-F137 WeakPolarHBondContact OD2-CE1 3.17Å; S133-F137 WeakPolarHBondContact O-CB 3.33Å; S133-F137 WeakPolarHBondContact O-CG 3.43Å; V134-F137 HydrophobicContact CB-CD1 4.48Å; V134-F137 HydrophobicContact CG1-CD1 4.15Å; V134-F137 HydrophobicContact CG1-CE1 4.26Å; V134-F137 CarbonylContact O-C 3.6Å; V134-F137 WeakPolarHBondContact O-CA 3.46Å; V134-F137 VanDerWaalsContact O-CB 3.31Å; V134-F137 WeakPolarHBondContact O-CB 3.39Å; V134-F137 VanDerWaalsContact O-CD1 3.25Å; V134-F137 WeakPolarHBondContact O-CD1 3.34Å; V134-F137 PolarHBondContact O-N 2.68Å; D135-F137 PolarHBondContact O-N 2.85Å; F137-K139 PolarHBondContact O-N 3.07Å; F137-R140 CarbonylContact O-C 3.5Å; F137-R140 VanDerWaalsContact O-CA 3.31Å; F137-R140 WeakPolarHBondContact O-CA 3.45Å; F137-R140 VanDerWaalsContact O-CB 3.32Å; F137-R140 WeakPolarHBondContact O-CB 3.43Å; F137-R140 PolarHBondContact O-N 2.98Å; F137-L141 PolarHBondContact O-N 3.5Å
138	R	39.1	Very low	38.4	Very low	120 Å²	120	67.2 Å²	67.2	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-56.4	-39.8	163.1	-73.1	-171.1	178.1	-162.7	5.1	110.7	D64 V134 R140 L141 G142 E260	D64-R138 WeakPolarHBondContact OD2-CA 3.48Å; D64-R138 PolarHBondContact OD2-N 2.9Å; V134-R138 HydrophobicContact CG1-CG 4.5Å; V134-R138 PolarHBondContact O-N 2.73Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.41Å; R138-L141 PolarHBondContact O-N 3.16Å; R138-G142 PolarHBondContact O-N 3.13Å; R138-E260 IonicContact NH1-OE1 3.76Å; R138-E260 IonicContact NH1-OE2 2.72Å
139	K	47	Very low	39.4	Very low	127 Å²	127	67.1 Å²	67.1	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-59.2	-40.4	171.9	177.7	174.8	176.9	175.4	0	112.2	D135 F137 E143	D135-K139 VanDerWaalsContact O-CB 3.27Å; D135-K139 WeakPolarHBondContact O-CB 3.45Å; D135-K139 PolarHBondContact O-N 3.2Å; F137-K139 PolarHBondContact O-N 3.07Å; K139-E143 WeakPolarHBondContact CE-OE1 3.05Å; K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 VanDerWaalsContact O-CG 3.25Å; K139-E143 WeakPolarHBondContact O-CG 3.31Å; K139-E143 PolarHBondContact O-N 3.03Å
140	R	41.5	Very low	40.5	Very low	37 Å²	37	71.5 Å²	71.5	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-37.2	175.1	-74.9	155	159.6	-167.9	-19.1	112.6	S121 R122 C123 L124 V136 F137 R138 E143 N144	S121-R140 PolarHBondContact O-NH2 2.95Å; R122-R140 WeakPolarHBondContact O-CD 3.33Å; R122-R140 VanDerWaalsContact O-CG 3.29Å; R122-R140 WeakPolarHBondContact O-CG 3.45Å; R122-R140 PolarHBondContact O-NE 3.07Å; C123-R140 PolarHBondContact O-NH1 2.98Å; L124-R140 VanDerWaalsContact O-CZ 3.31Å; L124-R140 PolarHBondContact O-NH1 3.02Å; L124-R140 PolarHBondContact O-NH2 3.1Å; V136-R140 WeakPolarHBondContact O-CD 3.06Å; V136-R140 WeakPolarHBondContact O-CG 3.39Å; V136-R140 PolarHBondContact O-N 2.94Å; F137-R140 CarbonylContact O-C 3.5Å; F137-R140 VanDerWaalsContact O-CA 3.31Å; F137-R140 WeakPolarHBondContact O-CA 3.45Å; F137-R140 VanDerWaalsContact O-CB 3.32Å; F137-R140 WeakPolarHBondContact O-CB 3.43Å; F137-R140 PolarHBondContact O-N 2.98Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.41Å; R140-E143 PolarHBondContact O-N 3.14Å; R140-N144 VanDerWaalsContact O-CB 3.28Å; R140-N144 WeakPolarHBondContact O-CB 3.17Å; R140-N144 PolarHBondContact O-N 2.97Å; R140-N144 PolarHBondContact O-ND2 3Å
141	L	43	Very low	41.2	Very low	49 Å²	49	73.6 Å²	73.6	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-47.3	170.1	-179.2	67.3	0	0	0	110.6	D64 I66 F137 R138 E143 N144 M145	D64-L141 HydrophobicContact CB-CB 4.27Å; D64-L141 HydrophobicContact CB-CD2 4.45Å; D64-L141 VanDerWaalsContact OD2-CB 3.26Å; D64-L141 WeakPolarHBondContact OD2-CB 3.08Å; I66-L141 HydrophobicContact CD1-CD1 3.87Å; I66-L141 HydrophobicContact CG1-CD1 4.23Å; F137-L141 PolarHBondContact O-N 3.5Å; R138-L141 PolarHBondContact O-N 3.16Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 2.78Å; L141-N144 CarbonylContact O-C 3.33Å; L141-N144 PolarHBondContact O-N 2.82Å; L141-M145 HydrophobicContact CD1-CG 4.39Å; L141-M145 HydrophobicContact CG-CG 4.45Å; L141-M145 WeakPolarHBondContact O-CB 3.43Å; L141-M145 VanDerWaalsContact O-CG 3.24Å; L141-M145 WeakPolarHBondContact O-CG 3.21Å; L141-M145 PolarHBondContact O-N 3.19Å
142	G	43	Very low	42	Very low	13 Å²	13	67.4 Å²	67.4	13%	0.134	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-29.8	174.1	0	0	0	0	0	113.9	R138 R146	R138-G142 PolarHBondContact O-N 3.13Å; G142-R146 WeakPolarHBondContact O-CB 3.27Å; G142-R146 VanDerWaalsContact O-CG 3.28Å; G142-R146 WeakPolarHBondContact O-CG 3.45Å; G142-R146 PolarHBondContact O-N 2.95Å; G142-R146 VanDerWaalsContact O-N 3.12Å; G142-R146 PolarHBondContact O-NE 3.41Å
143	E	48.7	Very low	43	Very low	93 Å²	93	69.7 Å²	69.7	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-72.3	-41.4	169.7	-76.8	171.4	-166.5	0	0	111.6	K139 R140 L141 R146 E147	K139-E143 WeakPolarHBondContact CE-OE1 3.05Å; K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 VanDerWaalsContact O-CG 3.25Å; K139-E143 WeakPolarHBondContact O-CG 3.31Å; K139-E143 PolarHBondContact O-N 3.03Å; R140-E143 PolarHBondContact O-N 3.14Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 2.78Å; E143-R146 PolarHBondContact O-N 2.94Å; E143-E147 VanDerWaalsContact O-CB 3.3Å; E143-E147 WeakPolarHBondContact O-CB 3.29Å; E143-E147 PolarHBondContact O-N 2.83Å
144	N	42.8	Very low	43.2	Very low	68 Å²	68	70.9 Å²	70.9	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-39.2	175.7	-72.6	-23.9	0	0	0	112.2	R140 L141 E147 L148	R140-N144 VanDerWaalsContact O-CB 3.28Å; R140-N144 WeakPolarHBondContact O-CB 3.17Å; R140-N144 PolarHBondContact O-N 2.97Å; R140-N144 PolarHBondContact O-ND2 3Å; L141-N144 CarbonylContact O-C 3.33Å; L141-N144 PolarHBondContact O-N 2.82Å; N144-E147 WeakPolarHBondContact O-CB 3.22Å; N144-E147 PolarHBondContact O-N 3Å; N144-L148 WeakPolarHBondContact O-CB 3.49Å; N144-L148 PolarHBondContact O-N 3.2Å
145	M	43.2	Very low	43.3	Very low	30 Å²	30	71.9 Å²	71.9	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-44.3	174.7	-72.7	-71.8	-86.5	0	0	110.7	L141 E147 L148 K149 I253 A256 L257	L141-M145 HydrophobicContact CD1-CG 4.39Å; L141-M145 HydrophobicContact CG-CG 4.45Å; L141-M145 WeakPolarHBondContact O-CB 3.43Å; L141-M145 VanDerWaalsContact O-CG 3.24Å; L141-M145 WeakPolarHBondContact O-CG 3.21Å; L141-M145 PolarHBondContact O-N 3.19Å; M145-E147 VanDerWaalsContact C-N 3.26Å; M145-E147 PolarHBondContact O-N 2.98Å; M145-L148 PolarHBondContact O-N 3.39Å; M145-L148 HydrophobicContact SD-CD2 4.47Å; M145-K149 PolarHBondContact O-N 3.09Å; M145-I253 HydrophobicContact CB-CG2 4.01Å; M145-I253 HydrophobicContact CE-CB 4.33Å; M145-I253 HydrophobicContact CE-CG1 3.8Å; M145-I253 HydrophobicContact CE-CG2 4.25Å; M145-I253 WeakPolarHBondContact O-CG2 3.14Å; M145-I253 HydrophobicContact SD-CG1 4.33Å; M145-A256 HydrophobicContact CE-CB 4.22Å; M145-L257 HydrophobicContact CB-CD2 4.28Å
146	R	51.8	Low	43.1	Very low	94 Å²	94	72.2 Å²	72.2	36%	0.355	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-25.2	172	-75.2	178.4	-72.5	-152.8	-2	113.6	G142 E143 R150 L257 E261	G142-R146 WeakPolarHBondContact O-CB 3.27Å; G142-R146 VanDerWaalsContact O-CG 3.28Å; G142-R146 WeakPolarHBondContact O-CG 3.45Å; G142-R146 PolarHBondContact O-N 2.95Å; G142-R146 VanDerWaalsContact O-N 3.12Å; G142-R146 PolarHBondContact O-NE 3.41Å; E143-R146 PolarHBondContact O-N 2.94Å; R146-R150 WeakPolarHBondContact O-CB 3.43Å; R146-R150 PolarHBondContact O-N 2.85Å; R146-R150 PolarHBondContact O-NH2 2.64Å; R146-L257 HydrophobicContact CG-CD1 3.37Å; R146-L257 HydrophobicContact CG-CD2 3.85Å; R146-L257 HydrophobicContact CG-CG 4.27Å; R146-E261 IonicContact CZ-OE1 2.7Å; R146-E261 IonicContact NH1-OE1 2.64Å; R146-E261 PolarHBondContact NH1-OE1 3.11Å
147	E	45.5	Very low	43	Very low	60 Å²	60	71.3 Å²	71.3	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-74.1	-47	171.1	-179.1	64.1	-156.8	0	0	111.1	E143 N144 M145 R150 R151	E143-E147 VanDerWaalsContact O-CB 3.3Å; E143-E147 WeakPolarHBondContact O-CB 3.29Å; E143-E147 PolarHBondContact O-N 2.83Å; N144-E147 WeakPolarHBondContact O-CB 3.22Å; N144-E147 PolarHBondContact O-N 3Å; M145-E147 VanDerWaalsContact C-N 3.26Å; M145-E147 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.24Å; E147-R150 IonicContact OE2-CZ 3.75Å; E147-R150 IonicContact OE2-NH1 3.5Å; E147-R150 PolarHBondContact OE2-NH1 2.94Å; E147-R150 IonicContact OE2-NH2 3.54Å; E147-R150 PolarHBondContact OE2-NH2 3.37Å; E147-R151 WeakPolarHBondContact O-CG 3.48Å; E147-R151 PolarHBondContact O-N 3.3Å; E147-R151 IonicContact OE1-CZ 3.09Å; E147-R151 VanDerWaalsContact OE1-CZ 3.22Å; E147-R151 IonicContact OE1-NE 2.76Å; E147-R151 PolarHBondContact OE1-NE 3.09Å; E147-R151 IonicContact OE1-NH2 2.96Å; E147-R151 PolarHBondContact OE1-NH2 3.36Å
148	L	43.9	Very low	42.5	Very low	73 Å²	73	76.4 Å²	76.4	38%	0.382	35%	0.352	S	S	.	.	H	α-helix	trans	-57.8	-51	175.3	177.1	60	0	0	0	111	N144 M145 R150 R151 L152 I253	N144-L148 WeakPolarHBondContact O-CB 3.49Å; N144-L148 PolarHBondContact O-N 3.2Å; M145-L148 PolarHBondContact O-N 3.39Å; M145-L148 HydrophobicContact SD-CD2 4.47Å; L148-R150 PolarHBondContact O-N 3.25Å; L148-R151 WeakPolarHBondContact O-CB 3.3Å; L148-R151 PolarHBondContact O-N 2.78Å; L148-R151 VanDerWaalsContact O-N 3.14Å; L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 HydrophobicContact CD1-CG 4.37Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 2.78Å; L148-I253 HydrophobicContact CB-CD1 4.45Å; L148-I253 HydrophobicContact CD2-CD1 3.87Å; L148-I253 HydrophobicContact CG-CD1 3.89Å
149	K	48.7	Very low	41.9	Very low	42 Å²	42	75.6 Å²	75.6	18%	0.183	35%	0.349	C	S	.	.	H	α-helix	trans	-56.9	-48	175.9	-163.8	-153.1	175.3	-179.7	0	111.8	M145 R151 L152 D153 C250 I253 D254	M145-K149 PolarHBondContact O-N 3.09Å; K149-R151 PolarHBondContact O-N 3.12Å; K149-L152 CarbonylContact O-C 3.57Å; K149-L152 WeakPolarHBondContact O-CA 3.4Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 3.33Å; K149-D153 WeakPolarHBondContact CE-OD2 3.38Å; K149-D153 WeakPolarHBondContact O-CB 3.49Å; K149-D153 VanDerWaalsContact O-CG 3.25Å; K149-D153 PolarHBondContact O-N 3.4Å; K149-C250 HydrophobicContact CG-CB 4.09Å; K149-I253 HydrophobicContact CB-CB 4.37Å; K149-I253 HydrophobicContact CB-CD1 4.23Å; K149-I253 HydrophobicContact CB-CG2 3.82Å; K149-I253 HydrophobicContact CG-CG2 4.37Å; K149-D254 WeakPolarHBondContact CD-OD1 3.11Å; K149-D254 WeakPolarHBondContact CE-OD1 3.47Å; K149-D254 WeakPolarHBondContact CE-OD2 3.18Å; K149-D254 IonicContact NZ-OD1 2.7Å; K149-D254 PolarHBondContact NZ-OD1 3.44Å; K149-D254 IonicContact NZ-OD2 3.01Å; K149-D254 PolarHBondContact NZ-OD2 3.26Å
150	R	52	Low	40.9	Very low	137 Å²	137	75.3 Å²	75.3	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-21.6	-178.7	-154.9	-173.8	-32.2	100.7	15.4	113.5	R146 E147 L148 A154	R146-R150 WeakPolarHBondContact O-CB 3.43Å; R146-R150 PolarHBondContact O-N 2.85Å; R146-R150 PolarHBondContact O-NH2 2.64Å; E147-R150 PolarHBondContact O-N 3.24Å; E147-R150 IonicContact OE2-CZ 3.75Å; E147-R150 IonicContact OE2-NH1 3.5Å; E147-R150 PolarHBondContact OE2-NH1 2.94Å; E147-R150 IonicContact OE2-NH2 3.54Å; E147-R150 PolarHBondContact OE2-NH2 3.37Å; L148-R150 PolarHBondContact O-N 3.25Å; R150-A154 WeakPolarHBondContact O-CB 3.32Å
151	R	43	Very low	40.3	Very low	138 Å²	138	78.1 Å²	78.1	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-76.6	-46.3	168.9	-68.5	169.8	-173.4	-156.1	1.2	110.7	E147 L148 K149 A154 Y155	E147-R151 WeakPolarHBondContact O-CG 3.48Å; E147-R151 PolarHBondContact O-N 3.3Å; E147-R151 IonicContact OE1-CZ 3.09Å; E147-R151 VanDerWaalsContact OE1-CZ 3.22Å; E147-R151 IonicContact OE1-NE 2.76Å; E147-R151 PolarHBondContact OE1-NE 3.09Å; E147-R151 IonicContact OE1-NH2 2.96Å; E147-R151 PolarHBondContact OE1-NH2 3.36Å; L148-R151 WeakPolarHBondContact O-CB 3.3Å; L148-R151 PolarHBondContact O-N 2.78Å; L148-R151 VanDerWaalsContact O-N 3.14Å; K149-R151 PolarHBondContact O-N 3.12Å; R151-A154 WeakPolarHBondContact O-CA 3.34Å; R151-A154 WeakPolarHBondContact O-CB 3.38Å; R151-A154 PolarHBondContact O-N 2.84Å; R151-Y155 WeakPolarHBondContact O-CD2 3.36Å; R151-Y155 PolarHBondContact O-N 3.18Å
152	L	43.9	Very low	39.8	Very low	22 Å²	22	84.7 Å²	84.7	12%	0.115	41%	0.405	C	S	.	.	H	α-helix	trans	-58.2	-48.1	174.5	-67.3	168	0	0	0	112.2	L148 K149 A154 Y155 I246 L249 C250 I253	L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 HydrophobicContact CD1-CG 4.37Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 2.78Å; K149-L152 CarbonylContact O-C 3.57Å; K149-L152 WeakPolarHBondContact O-CA 3.4Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 3.33Å; L152-A154 PolarHBondContact O-N 2.9Å; L152-A154 VanDerWaalsContact O-N 3.11Å; L152-Y155 PolarHBondContact O-N 2.95Å; L152-I246 HydrophobicContact CB-CG2 4.13Å; L152-I246 HydrophobicContact CD2-CG2 4.24Å; L152-L249 HydrophobicContact CD1-CB 4.36Å; L152-L249 HydrophobicContact CD1-CD2 3.65Å; L152-L249 HydrophobicContact CD1-CG 3.71Å; L152-L249 HydrophobicContact CD2-CD2 4.32Å; L152-C250 WeakPolarHBondContact CB-SG 3.29Å; L152-I253 HydrophobicContact CD1-CD1 3.77Å
153	D	46.9	Very low	39.1	Very low	91 Å²	91	91.6 Å²	91.6	49%	0.487	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	173.5	-65.8	-22.2	0	0	0	113.1	K149 C250	K149-D153 WeakPolarHBondContact CE-OD2 3.38Å; K149-D153 WeakPolarHBondContact O-CB 3.49Å; K149-D153 VanDerWaalsContact O-CG 3.25Å; K149-D153 PolarHBondContact O-N 3.4Å; D153-C250 PolarHBondContact OD1-SG 3.19Å
154	A	40.7	Very low	38.2	Very low	50 Å²	50	95 Å²	95	41%	0.413	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-16.5	176.9	0	0	0	0	0	113.6	R150 R151 L152 Q156	R150-A154 WeakPolarHBondContact O-CB 3.32Å; R151-A154 WeakPolarHBondContact O-CA 3.34Å; R151-A154 WeakPolarHBondContact O-CB 3.38Å; R151-A154 PolarHBondContact O-N 2.84Å; L152-A154 PolarHBondContact O-N 2.9Å; L152-A154 VanDerWaalsContact O-N 3.11Å; A154-Q156 VanDerWaalsContact C-N 3.3Å; A154-Q156 PolarHBondContact O-N 3.42Å
155	Y	34.2	Very low	37.6	Very low	69 Å²	69	98.6 Å²	98.6	27%	0.271	47%	0.473	S	S	.	.			trans	-79	73.7	175	-78.4	-74.3	0	0	0	111.5	R151 L152 V157 R196 V197	R151-Y155 WeakPolarHBondContact O-CD2 3.36Å; R151-Y155 PolarHBondContact O-N 3.18Å; L152-Y155 PolarHBondContact O-N 2.95Å; Y155-V157 PolarHBondContact O-N 2.97Å; Y155-V157 VanDerWaalsContact O-N 3.11Å; Y155-R196 VanDerWaalsContact CD1-O 3.31Å; Y155-R196 WeakPolarHBondContact CD1-O 3.42Å; Y155-V197 HydrophobicContact CE1-CB 4.3Å; Y155-V197 HydrophobicContact CE1-CG1 4.02Å; Y155-V197 HydrophobicContact CE1-CG2 4.21Å
156	Q	33.6	Very low	36.7	Very low	123 Å²	123	102.6 Å²	102.6	58%	0.575	50%	0.501	S	S	*	.			trans	-73.2	99.5	162.6	-73.3	-171.3	-11.7	0	0	110.1	A154 F158	A154-Q156 VanDerWaalsContact C-N 3.3Å; A154-Q156 PolarHBondContact O-N 3.42Å; Q156-F158 PolarHBondContact O-N 2.82Å
157	V	33.3	Very low	35.6	Very low	40 Å²	40	103.3 Å²	103.3	24%	0.242	52%	0.521	C	S	.	.			trans	-65.2	104	161.9	-177	0	0	0	0	107.5	Y155 F239 N243	Y155-V157 PolarHBondContact O-N 2.97Å; Y155-V157 VanDerWaalsContact O-N 3.11Å; V157-F239 HydrophobicContact CG1-CB 4.47Å; V157-F239 HydrophobicContact CG1-CD1 4.38Å; V157-N243 VanDerWaalsContact CB-OD1 3.23Å; V157-N243 WeakPolarHBondContact CB-OD1 3.25Å; V157-N243 WeakPolarHBondContact CG2-OD1 3.49Å
158	F	26.7	Very low	34.8	Very low	129 Å²	129	105.1 Å²	105.1	57%	0.566	54%	0.54	S	S	*	.			trans	-80.4	124.4	-177.5	-130.1	-92.4	0	0	0	109.9	Q156 P160	Q156-F158 PolarHBondContact O-N 2.82Å; F158-P160 VanDerWaalsContact O-CD 3.29Å; F158-P160 WeakPolarHBondContact O-CD 3.43Å
159	Y	27.4	Very low	34.2	Very low	102 Å²	102	109 Å²	109	40%	0.4	56%	0.561	S	S	.	*			trans	-79	121.9	170.5	-68.3	-98.7	0	0	0	108.8	D161 F239 R240	Y159-D161 PolarHBondContact O-N 2.8Å; Y159-D161 VanDerWaalsContact O-N 3.1Å; Y159-F239 HydrophobicContact CE1-CB 4.41Å; Y159-R240 WeakPolarHBondContact OH-CA 3.37Å; Y159-R240 PolarHBondContact OH-N 3.03Å; Y159-R240 VanDerWaalsContact OH-N 3.1Å
160	P	25.5	Very low	33.4	Very low	121 Å²	121	116 Å²	116	79%	0.786	60%	0.595	S	S	*	*			trans	-74.7	85.9	153.5	31.5	-29.9	0	0	0	106.9	F158 K162	F158-P160 VanDerWaalsContact O-CD 3.29Å; F158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-K162 PolarHBondContact O-N 3.07Å
161	D	28.6	Very low	32.1	Very low	97 Å²	97	115.7 Å²	115.7	52%	0.519	61%	0.613	S	S	.	*			trans	-59	121.8	177.5	-97	-38	0	0	0	109.6	Y159 D163 E164	Y159-D161 PolarHBondContact O-N 2.8Å; Y159-D161 VanDerWaalsContact O-N 3.1Å; D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 VanDerWaalsContact O-N 3.1Å; D161-E164 HydrophobicContact CB-CB 4.1Å; D161-E164 HydrophobicContact CB-CG 4.4Å; D161-E164 PolarHBondContact O-N 3.16Å; D161-E164 VanDerWaalsContact O-N 3.16Å
162	K	32.9	Very low	31.3	Very low	187 Å²	187	113.2 Å²	113.2	81%	0.813	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19	-174.9	-66.7	-179.6	-179.3	174.9	0	112.7	P160	P160-K162 PolarHBondContact O-N 3.07Å
163	D	28.9	Very low	30.4	Very low	158 Å²	158	116.9 Å²	116.9	85%	0.845	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-5.6	-177.5	-55.8	-60.3	0	0	0	113.2	D161	D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 VanDerWaalsContact O-N 3.1Å
164	E	29.4	Very low	29.4	Very low	163 Å²	163	117.8 Å²	117.8	76%	0.762	67%	0.669	S	S	*	*			trans	-107.2	43.8	170.1	-66.6	-151.9	159.6	0	0	112.2	D161	D161-E164 HydrophobicContact CB-CB 4.1Å; D161-E164 HydrophobicContact CB-CG 4.4Å; D161-E164 PolarHBondContact O-N 3.16Å; D161-E164 VanDerWaalsContact O-N 3.16Å
165	L	29	Very low	28.8	Very low	145 Å²	145	120.6 Å²	120.6	76%	0.759	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-57.8	130	154.4	-89	163.7	0	0	0	108.5	S167	L165-S167 PolarHBondContact O-N 2.87Å; L165-S167 VanDerWaalsContact O-N 3.08Å
166	P	24.9	Very low	28.6	Very low	113 Å²	113	122.3 Å²	122.3	73%	0.734	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-59.3	119.7	179.6	23.6	-32.8	0	0	0	109.5	S168	P166-S168 PolarHBondContact O-N 3.47Å
167	S	29	Very low	28.9	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.5	-176.8	57.7	0	0	0	0	110.3	L165 D169	L165-S167 PolarHBondContact O-N 2.87Å; L165-S167 VanDerWaalsContact O-N 3.08Å; S167-D169 PolarHBondContact O-N 2.81Å
168	S	29.1	Very low	29.8	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	71%	0.714	S	S	*	*	S	Bend	trans	-3.2	106.6	172	57	0	0	0	0	116.2	P166	P166-S168 PolarHBondContact O-N 3.47Å
169	D	31.3	Very low	31.1	Very low	155 Å²	155	122.4 Å²	122.4	83%	0.829	70%	0.703	S	S	*	*	S	Bend	trans	161	-11.1	130.8	-77.9	-10.3	0	0	0	112.9	S167 S171	S167-D169 PolarHBondContact O-N 2.81Å; D169-S171 PolarHBondContact O-N 2.67Å
170	E	31.4	Very low	32.5	Very low	189 Å²	189	117.5 Å²	117.5	88%	0.883	68%	0.684	S	S	*	*			trans	-93.5	93.3	172.1	-67.3	-160.1	121.2	0	0	112.5	A172	E170-A172 PolarHBondContact O-N 2.68Å
171	S	25.2	Very low	33.9	Very low	129 Å²	129	115.5 Å²	115.5	90%	0.902	67%	0.669	S	S	*	*			trans	-76.8	75.3	176.7	50	0	0	0	0	112.9	D169	D169-S171 PolarHBondContact O-N 2.67Å
172	A	24.7	Very low	35.4	Very low	86 Å²	86	111.3 Å²	111.3	71%	0.711	65%	0.646	S	S	*	*			trans	-132.2	98.6	178	0	0	0	0	0	112.9	E170	E170-A172 PolarHBondContact O-N 2.68Å
173	A	25.7	Very low	36.5	Very low	99 Å²	99	102.5 Å²	102.5	82%	0.818	61%	0.609	S	S	*	*			trans	45.1	78.9	162.4	0	0	0	0	0	117
174	S	25.8	Very low	38.1	Very low	110 Å²	110	98 Å²	98	77%	0.769	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-56.6	127.3	150.6	53.8	0	0	0	0	108.8
175	P	28.5	Very low	39.8	Very low	110 Å²	110	97.7 Å²	97.7	71%	0.714	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-59.3	137.7	174.5	25.6	-33.4	0	0	0	109	M177	P175-M177 PolarHBondContact O-N 2.77Å
176	P	30	Very low	41.4	Very low	105 Å²	105	97 Å²	97	68%	0.682	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.7	136.5	-178.4	24.2	-33.6	0	0	0	109.9	I178	P176-I178 HydrophobicContact CG-CG1 4.33Å; P176-I178 WeakPolarHBondContact O-CG1 3.05Å; P176-I178 PolarHBondContact O-N 3.02Å
177	M	40.3	Very low	43.3	Very low	129 Å²	129	94.8 Å²	94.8	64%	0.635	58%	0.577	S	S	*	*			trans	-72.4	94.7	172.3	-75.8	-170.4	-71.2	0	0	108.7	P175 Y179 K191	P175-M177 PolarHBondContact O-N 2.77Å; M177-Y179 HydrophobicContact CB-CE2 4.03Å; M177-Y179 WeakPolarHBondContact O-CD2 3.42Å; M177-Y179 VanDerWaalsContact O-CE2 3.29Å; M177-Y179 WeakPolarHBondContact O-CE2 3.19Å; M177-K191 HydrophobicContact SD-CD 4.27Å; M177-K191 PolarHBondContact SD-NZ 2.81Å
178	I	52.2	Low	44.6	Very low	81 Å²	81	92.8 Å²	92.8	42%	0.415	56%	0.56	S	S	.	*			trans	-82.9	133.9	175.6	-37.4	-179.6	0	0	0	108.6	P176 L192 L204	P176-I178 HydrophobicContact CG-CG1 4.33Å; P176-I178 WeakPolarHBondContact O-CG1 3.05Å; P176-I178 PolarHBondContact O-N 3.02Å; I178-L192 HydrophobicContact CB-CD1 4.01Å; I178-L192 HydrophobicContact CG2-CD1 3.68Å; I178-L192 PolarHBondContact O-N 2.77Å; I178-L204 HydrophobicContact CD1-CD1 3.81Å
179	Y	54.3	Low	46.1	Very low	83 Å²	83	96.1 Å²	96.1	33%	0.325	57%	0.565	S	S	.	*	B	Isolated β-bridge	trans	-106.6	152.1	179	-66.8	-105.6	0	0	0	109.5	M177 T181 Q189 S190 K191	M177-Y179 HydrophobicContact CB-CE2 4.03Å; M177-Y179 WeakPolarHBondContact O-CD2 3.42Å; M177-Y179 VanDerWaalsContact O-CE2 3.29Å; M177-Y179 WeakPolarHBondContact O-CE2 3.19Å; Y179-T181 PolarHBondContact O-N 3.18Å; Y179-Q189 HydrophobicContact CE1-CB 4.48Å; Y179-S190 CarbonylContact C-O 3.54Å; Y179-S190 WeakPolarHBondContact CA-O 3.22Å; Y179-S190 VanDerWaalsContact CB-O 3.32Å; Y179-S190 WeakPolarHBondContact CB-O 3.49Å; Y179-S190 WeakPolarHBondContact CD1-O 3.11Å; Y179-K191 HydrophobicContact CD1-CG 4.07Å; Y179-K191 HydrophobicContact CE1-CG 3.8Å
180	C	56.1	Low	47.2	Very low	0 Å²	0	89.2 Å²	89.2	0%	0	53%	0.529	C	S	.	.			trans	-66.6	120.4	172.5	161.1	0	0	0	0	107.8	C183 A184 S190 L192 C206 C211 F213	C180-C183 HydrophobicContact CB-CB 3.85Å; C180-C183 WeakPolarHBondContact O-CB 2.86Å; C180-C183 PolarHBondContact O-N 3.14Å; C180-C183 VanDerWaalsContact O-N 3.16Å; C180-C183 PolarHBondContact SG-N 3.05Å; C180-C183 VanDerWaalsContact SG-SG 3.61Å; C180-A184 PolarHBondContact O-N 2.7Å; C180-S190 WeakPolarHBondContact CB-OG 3.43Å; C180-S190 PolarHBondContact N-O 2.95Å; C180-S190 VanDerWaalsContact N-O 3.08Å; C180-L192 HydrophobicContact CB-CD2 3.81Å; C180-L192 HydrophobicContact CB-CG 4.49Å; C180-C206 HydrophobicContact CB-CB 3.86Å; C180-C206 WeakPolarHBondContact CB-SG 3.45Å; C180-C211 HydrophobicContact CB-CB 4.49Å; C180-C211 WeakPolarHBondContact CB-SG 3.26Å; C180-C211 WeakPolarHBondContact SG-CB 3.08Å; C180-C211 CovalentContact SG-SG 2.08Å; C180-C211 PolarHBondContact SG-SG 3.06Å; C180-F213 HydrophobicContact CB-CB 4.48Å
181	T	55.6	Low	48.3	Very low	79 Å²	79	85.2 Å²	85.2	49%	0.485	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-45.7	-179.4	45.4	0	0	0	0	111.1	Y179 C183 A184 E185	Y179-T181 PolarHBondContact O-N 3.18Å; T181-C183 PolarHBondContact O-N 2.76Å; T181-A184 WeakPolarHBondContact O-CA 3.42Å; T181-A184 WeakPolarHBondContact O-CB 3.5Å; T181-A184 PolarHBondContact O-N 2.66Å; T181-E185 WeakPolarHBondContact O-CG 3.24Å; T181-E185 PolarHBondContact O-N 3.49Å
182	E	58.7	Low	49.5	Very low	8 Å²	8	80 Å²	80	4%	0.037	47%	0.471	C	S	.	.	H	α-helix	trans	-58.5	-35.6	174.6	-44.3	175.4	-166.2	0	0	112.7	E185 R186 C211 S212 F213 L215	E182-E185 PolarHBondContact O-N 3.33Å; E182-R186 WeakPolarHBondContact O-CB 3.27Å; E182-R186 VanDerWaalsContact O-CG 3.25Å; E182-R186 WeakPolarHBondContact O-CG 3.14Å; E182-R186 PolarHBondContact O-N 2.93Å; E182-R186 IonicContact OE2-NH2 3.45Å; E182-R186 PolarHBondContact OE2-NH2 3.08Å; E182-C211 VanDerWaalsContact OE2-CA 3.29Å; E182-C211 WeakPolarHBondContact OE2-CA 3.29Å; E182-S212 WeakPolarHBondContact OE1-CA 3.31Å; E182-S212 WeakPolarHBondContact OE1-CB 3.24Å; E182-S212 PolarHBondContact OE1-N 3.3Å; E182-S212 PolarHBondContact OE1-OG 2.85Å; E182-S212 PolarHBondContact OE2-N 3.3Å; E182-S212 PolarHBondContact OE2-OG 3.35Å; E182-F213 PolarHBondContact OE1-N 3.43Å; E182-L215 HydrophobicContact CG-CD1 4.19Å; E182-L215 WeakPolarHBondContact OE1-CD1 3.18Å; E182-L215 WeakPolarHBondContact OE1-CG 3.35Å
183	C	56.9	Low	50.6	Low	3 Å²	3	78.6 Å²	78.6	2%	0.02	45%	0.45	C	S	.	.	H	α-helix	trans	-69.6	-42.3	176.5	-80.5	0	0	0	0	110.3	C180 T181 E185 R186 G187 V188 S190 C206 C211	C180-C183 HydrophobicContact CB-CB 3.85Å; C180-C183 WeakPolarHBondContact O-CB 2.86Å; C180-C183 PolarHBondContact O-N 3.14Å; C180-C183 VanDerWaalsContact O-N 3.16Å; C180-C183 PolarHBondContact SG-N 3.05Å; C180-C183 VanDerWaalsContact SG-SG 3.61Å; T181-C183 PolarHBondContact O-N 2.76Å; C183-E185 VanDerWaalsContact C-N 3.31Å; C183-E185 PolarHBondContact O-N 3.42Å; C183-R186 CarbonylContact O-C 3.54Å; C183-R186 VanDerWaalsContact O-C 3.28Å; C183-R186 WeakPolarHBondContact O-CA 3.07Å; C183-R186 PolarHBondContact O-N 3.44Å; C183-R186 VanDerWaalsContact O-N 3.13Å; C183-G187 PolarHBondContact O-N 3.09Å; C183-V188 CarbonylContact C-O 3.41Å; C183-V188 HydrophobicContact CB-CB 4.06Å; C183-V188 HydrophobicContact CB-CG1 4.36Å; C183-V188 VanDerWaalsContact CB-O 3.25Å; C183-V188 WeakPolarHBondContact CB-O 3.34Å; C183-V188 WeakPolarHBondContact O-CA 3.41Å; C183-V188 PolarHBondContact O-N 3.11Å; C183-V188 VanDerWaalsContact O-O 3.08Å; C183-S190 WeakPolarHBondContact CB-OG 3.48Å; C183-S190 PolarHBondContact SG-OG 3.39Å; C183-C206 VanDerWaalsContact SG-SG 3.69Å; C183-C211 WeakPolarHBondContact SG-CB 3.17Å
184	A	61.3	Low	51.3	Low	64 Å²	64	78.6 Å²	78.6	53%	0.529	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-40.3	174.3	0	0	0	0	0	111.8	C180 T181 R186 G187 V188	C180-A184 PolarHBondContact O-N 2.7Å; T181-A184 WeakPolarHBondContact O-CA 3.42Å; T181-A184 WeakPolarHBondContact O-CB 3.5Å; T181-A184 PolarHBondContact O-N 2.66Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-G187 PolarHBondContact O-N 3.23Å; A184-V188 PolarHBondContact N-O 3.34Å
185	E	65.9	Low	52	Low	155 Å²	155	74.4 Å²	74.4	72%	0.724	41%	0.408	S	S	*	.	H	α-helix	trans	-61.3	-39.7	171.9	-69.6	158.2	-157	0	0	112.1	T181 E182 C183 G187	T181-E185 WeakPolarHBondContact O-CG 3.24Å; T181-E185 PolarHBondContact O-N 3.49Å; E182-E185 PolarHBondContact O-N 3.33Å; C183-E185 VanDerWaalsContact C-N 3.31Å; C183-E185 PolarHBondContact O-N 3.42Å; E185-G187 PolarHBondContact O-N 3.15Å
186	R	62	Low	52.3	Low	130 Å²	130	75 Å²	75	49%	0.491	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	9.5	171.9	-62.7	-179.8	-145.7	-179.9	14.2	113.9	E182 C183 A184 V188 E210	E182-R186 WeakPolarHBondContact O-CB 3.27Å; E182-R186 VanDerWaalsContact O-CG 3.25Å; E182-R186 WeakPolarHBondContact O-CG 3.14Å; E182-R186 PolarHBondContact O-N 2.93Å; E182-R186 IonicContact OE2-NH2 3.45Å; E182-R186 PolarHBondContact OE2-NH2 3.08Å; C183-R186 CarbonylContact O-C 3.54Å; C183-R186 VanDerWaalsContact O-C 3.28Å; C183-R186 WeakPolarHBondContact O-CA 3.07Å; C183-R186 PolarHBondContact O-N 3.44Å; C183-R186 VanDerWaalsContact O-N 3.13Å; A184-R186 VanDerWaalsContact C-N 3.35Å; R186-V188 VanDerWaalsContact C-N 3.29Å; R186-V188 PolarHBondContact O-N 3.15Å; R186-E210 VanDerWaalsContact CZ-O 3.28Å; R186-E210 PolarHBondContact NH1-O 3.12Å; R186-E210 PolarHBondContact NH2-O 3.39Å
187	G	65	Low	52.5	Low	68 Å²	68	71.1 Å²	71.1	70%	0.701	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	7.4	178.5	0	0	0	0	0	116.1	C183 A184 E185	C183-G187 PolarHBondContact O-N 3.09Å; A184-G187 PolarHBondContact O-N 3.23Å; E185-G187 PolarHBondContact O-N 3.15Å
188	V	57.6	Low	52.1	Low	67 Å²	67	67.1 Å²	67.1	41%	0.406	36%	0.355	S	S	.	.			trans	-97.9	118.1	-178.6	179.1	0	0	0	0	110.6	C183 A184 R186 S190 V208	C183-V188 CarbonylContact C-O 3.41Å; C183-V188 HydrophobicContact CB-CB 4.06Å; C183-V188 HydrophobicContact CB-CG1 4.36Å; C183-V188 VanDerWaalsContact CB-O 3.25Å; C183-V188 WeakPolarHBondContact CB-O 3.34Å; C183-V188 WeakPolarHBondContact O-CA 3.41Å; C183-V188 PolarHBondContact O-N 3.11Å; C183-V188 VanDerWaalsContact O-O 3.08Å; A184-V188 PolarHBondContact N-O 3.34Å; R186-V188 VanDerWaalsContact C-N 3.29Å; R186-V188 PolarHBondContact O-N 3.15Å; V188-S190 PolarHBondContact O-N 2.96Å; V188-V208 HydrophobicContact CG1-CG2 4.17Å
189	Q	59.7	Low	50.9	Low	169 Å²	169	73.2 Å²	73.2	79%	0.79	38%	0.379	S	S	*	.			trans	-79.7	88	170.7	-70.3	-167.4	6.5	0	0	111.5	Y179	Y179-Q189 HydrophobicContact CE1-CB 4.48Å
190	S	54.5	Low	49.6	Very low	9 Å²	9	80.1 Å²	80.1	6%	0.063	40%	0.404	C	S	.	.			trans	-104.5	135.9	170.1	68.9	0	0	0	0	111.5	Y179 C180 C183 V188 C206	Y179-S190 CarbonylContact C-O 3.54Å; Y179-S190 WeakPolarHBondContact CA-O 3.22Å; Y179-S190 VanDerWaalsContact CB-O 3.32Å; Y179-S190 WeakPolarHBondContact CB-O 3.49Å; Y179-S190 WeakPolarHBondContact CD1-O 3.11Å; C180-S190 WeakPolarHBondContact CB-OG 3.43Å; C180-S190 PolarHBondContact N-O 2.95Å; C180-S190 VanDerWaalsContact N-O 3.08Å; C183-S190 WeakPolarHBondContact CB-OG 3.48Å; C183-S190 PolarHBondContact SG-OG 3.39Å; V188-S190 PolarHBondContact O-N 2.96Å; S190-C206 PolarHBondContact OG-SG 3.41Å
191	K	55.1	Low	48.4	Very low	106 Å²	106	84.2 Å²	84.2	46%	0.461	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-90.8	133.8	175.6	-62	-173.3	180	-171.2	0	109.3	M177 Y179 P207	M177-K191 HydrophobicContact SD-CD 4.27Å; M177-K191 PolarHBondContact SD-NZ 2.81Å; Y179-K191 HydrophobicContact CD1-CG 4.07Å; Y179-K191 HydrophobicContact CE1-CG 3.8Å; K191-P207 WeakPolarHBondContact O-CD 3.11Å; K191-P207 WeakPolarHBondContact O-CG 2.91Å
192	L	49.2	Very low	47.3	Very low	20 Å²	20	82.6 Å²	82.6	11%	0.105	42%	0.419	C	S	.	.			trans	-71	143.2	174.3	-65.3	172.2	0	0	0	110.4	I178 C180 L204 C206 F213	I178-L192 HydrophobicContact CB-CD1 4.01Å; I178-L192 HydrophobicContact CG2-CD1 3.68Å; I178-L192 PolarHBondContact O-N 2.77Å; C180-L192 HydrophobicContact CB-CD2 3.81Å; C180-L192 HydrophobicContact CB-CG 4.49Å; L192-L204 HydrophobicContact CB-CB 4.31Å; L192-L204 HydrophobicContact CB-CD2 4.11Å; L192-L204 HydrophobicContact CD1-CB 4.25Å; L192-L204 HydrophobicContact CD1-CD1 4.39Å; L192-C206 HydrophobicContact CD2-CB 3.92Å; L192-F213 HydrophobicContact CD1-CD1 4.04Å; L192-F213 HydrophobicContact CD1-CE1 3.42Å; L192-F213 VanDerWaalsContact CD1-CE1 3.42Å; L192-F213 HydrophobicContact CD1-CE2 4.16Å; L192-F213 HydrophobicContact CD1-CZ 3.49Å; L192-F213 VanDerWaalsContact CD1-CZ 3.49Å; L192-F213 HydrophobicContact CD2-CD1 3.54Å; L192-F213 HydrophobicContact CD2-CE1 3.8Å; L192-F213 HydrophobicContact CD2-CG 4.08Å; L192-F213 HydrophobicContact CD2-CZ 4.49Å; L192-F213 HydrophobicContact CG-CD1 4.47Å; L192-F213 HydrophobicContact CG-CE1 4.27Å
193	I	47.4	Very low	46.4	Very low	55 Å²	55	85 Å²	85	28%	0.282	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	-178.8	-57.6	-179.8	0	0	0	108.4	A195 I205 P207 F239	I193-A195 PolarHBondContact O-N 2.77Å; I193-I205 PolarHBondContact N-O 2.97Å; I193-I205 PolarHBondContact O-N 3.4Å; I193-P207 HydrophobicContact CD1-CB 3.95Å; I193-P207 HydrophobicContact CD1-CG 4.14Å; I193-P207 HydrophobicContact CG1-CG 4.48Å; I193-F239 HydrophobicContact CD1-CE1 3.9Å; I193-F239 HydrophobicContact CD1-CE2 4.09Å; I193-F239 HydrophobicContact CD1-CZ 3.34Å
194	L	40.5	Very low	45.6	Very low	100 Å²	100	87.4 Å²	87.4	52%	0.524	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	93	178.9	-174.2	68.1	0	0	0	110.8	R196 L203 L204	L194-R196 PolarHBondContact O-N 3.49Å; L194-L203 CarbonylContact C-O 3.09Å; L194-L203 WeakPolarHBondContact CA-O 3.39Å; L194-L204 HydrophobicContact CB-CD2 4.18Å; L194-L204 HydrophobicContact CD1-CD2 3.92Å; L194-L204 HydrophobicContact CD1-CG 4.25Å
195	A	42.1	Very low	45.1	Very low	21 Å²	21	88.1 Å²	88.1	17%	0.174	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	116	170.2	0	0	0	0	0	109.9	I193 V197 G202 L203 I205	I193-A195 PolarHBondContact O-N 2.77Å; A195-V197 PolarHBondContact O-N 2.96Å; A195-G202 CarbonylContact O-C 3.6Å; A195-G202 VanDerWaalsContact O-CA 3.32Å; A195-G202 WeakPolarHBondContact O-CA 3.21Å; A195-L203 PolarHBondContact N-O 3.13Å; A195-L203 PolarHBondContact O-N 3.38Å; A195-I205 HydrophobicContact CB-CD1 3.58Å; A195-I205 HydrophobicContact CB-CG1 4.18Å
196	R	34.6	Very low	44.2	Very low	122 Å²	122	81.3 Å²	81.3	46%	0.46	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.6	171.9	-88.1	-179.1	164.5	156.2	-2.3	110	Y155 L194	Y155-R196 VanDerWaalsContact CD1-O 3.31Å; Y155-R196 WeakPolarHBondContact CD1-O 3.42Å; L194-R196 PolarHBondContact O-N 3.49Å
197	V	34	Very low	43.6	Very low	25 Å²	25	77.5 Å²	77.5	15%	0.152	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-20.7	176.6	-165.3	0	0	0	0	111	Y155 A195 R201 L203 L222	Y155-V197 HydrophobicContact CE1-CB 4.3Å; Y155-V197 HydrophobicContact CE1-CG1 4.02Å; Y155-V197 HydrophobicContact CE1-CG2 4.21Å; A195-V197 PolarHBondContact O-N 2.96Å; V197-R201 PolarHBondContact N-O 2.86Å; V197-L203 HydrophobicContact CG2-CB 3.77Å; V197-L222 HydrophobicContact CB-CD1 4.44Å; V197-L222 HydrophobicContact CG1-CD1 3.81Å; V197-L222 HydrophobicContact CG1-CD2 4.01Å; V197-L222 HydrophobicContact CG1-CG 4.34Å
198	S	30.7	Very low	42.9	Very low	45 Å²	45	76.4 Å²	76.4	32%	0.315	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	176.4	164.5	80.5	0	0	0	0	111.2	R200 R201	S198-R200 PolarHBondContact O-N 3.5Å; S198-R200 PolarHBondContact OG-N 2.74Å; S198-R200 VanDerWaalsContact OG-N 3.15Å; S198-R201 PolarHBondContact N-O 2.86Å; S198-R201 PolarHBondContact O-N 2.92Å; S198-R201 VanDerWaalsContact O-O 3.09Å; S198-R201 PolarHBondContact OG-N 3.12Å; S198-R201 VanDerWaalsContact OG-N 3.11Å
199	F	27.4	Very low	42.1	Very low	209 Å²	209	77.5 Å²	77.5	92%	0.917	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.2	172.9	-158.1	-87.4	0	0	0	113.8
200	R	27.1	Very low	41.6	Very low	228 Å²	228	76.4 Å²	76.4	86%	0.86	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-8.3	177.7	-69.9	-173.3	177.7	178.3	0.6	114.7	S198	S198-R200 PolarHBondContact O-N 3.5Å; S198-R200 PolarHBondContact OG-N 2.74Å; S198-R200 VanDerWaalsContact OG-N 3.15Å
201	R	30.5	Very low	41.1	Very low	86 Å²	86	76.8 Å²	76.8	33%	0.325	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.4	-174	-66	-176.3	177.5	-169	-8.4	111.6	V197 S198 D220	V197-R201 PolarHBondContact N-O 2.86Å; S198-R201 PolarHBondContact N-O 2.86Å; S198-R201 PolarHBondContact O-N 2.92Å; S198-R201 VanDerWaalsContact O-O 3.09Å; S198-R201 PolarHBondContact OG-N 3.12Å; S198-R201 VanDerWaalsContact OG-N 3.11Å; R201-D220 IonicContact CZ-OD1 3.44Å; R201-D220 IonicContact CZ-OD2 2.77Å; R201-D220 IonicContact NE-OD2 2.66Å; R201-D220 IonicContact NH1-OD1 2.96Å; R201-D220 PolarHBondContact NH1-OD1 3.06Å; R201-D220 IonicContact NH1-OD2 2.81Å; R201-D220 IonicContact NH2-OD1 3.34Å; R201-D220 PolarHBondContact NH2-OD1 2.63Å; R201-D220 IonicContact NH2-OD2 3.22Å; R201-D220 PolarHBondContact NH2-OD2 2.68Å
202	G	32.4	Very low	40.7	Very low	45 Å²	45	75.1 Å²	75.1	46%	0.464	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	166.3	0	0	0	0	0	110.2	A195	A195-G202 CarbonylContact O-C 3.6Å; A195-G202 VanDerWaalsContact O-CA 3.32Å; A195-G202 WeakPolarHBondContact O-CA 3.21Å
203	L	40.2	Very low	40.4	Very low	59 Å²	59	76.4 Å²	76.4	31%	0.309	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.3	171.9	179.1	65.1	0	0	0	108.2	L194 A195 V197 I205 P214	L194-L203 CarbonylContact C-O 3.09Å; L194-L203 WeakPolarHBondContact CA-O 3.39Å; A195-L203 PolarHBondContact N-O 3.13Å; A195-L203 PolarHBondContact O-N 3.38Å; V197-L203 HydrophobicContact CG2-CB 3.77Å; L203-I205 HydrophobicContact CD2-CD1 4.12Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CG1 3.9Å; L203-P214 HydrophobicContact CD1-CG 4.43Å
204	L	41.5	Very low	40.3	Very low	53 Å²	53	77 Å²	77	28%	0.277	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.6	171.3	-72.6	169.2	0	0	0	108.6	I178 L192 L194 F213	I178-L204 HydrophobicContact CD1-CD1 3.81Å; L192-L204 HydrophobicContact CB-CB 4.31Å; L192-L204 HydrophobicContact CB-CD2 4.11Å; L192-L204 HydrophobicContact CD1-CB 4.25Å; L192-L204 HydrophobicContact CD1-CD1 4.39Å; L194-L204 HydrophobicContact CB-CD2 4.18Å; L194-L204 HydrophobicContact CD1-CD2 3.92Å; L194-L204 HydrophobicContact CD1-CG 4.25Å; L204-F213 HydrophobicContact CB-CE1 3.95Å
205	I	49.1	Very low	39.9	Very low	78 Å²	78	77.3 Å²	77.3	40%	0.4	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	-178.2	-55.6	-179.8	0	0	0	109	I193 A195 L203	I193-I205 PolarHBondContact N-O 2.97Å; I193-I205 PolarHBondContact O-N 3.4Å; A195-I205 HydrophobicContact CB-CD1 3.58Å; A195-I205 HydrophobicContact CB-CG1 4.18Å; L203-I205 HydrophobicContact CD2-CD1 4.12Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CG1 3.9Å
206	C	48.6	Very low	39.3	Very low	13 Å²	13	84.1 Å²	84.1	9%	0.088	45%	0.451	C	S	.	.			trans	-82.3	131.2	167	-171.4	0	0	0	0	111.1	C180 C183 S190 L192 V208 C211 F213	C180-C206 HydrophobicContact CB-CB 3.86Å; C180-C206 WeakPolarHBondContact CB-SG 3.45Å; C183-C206 VanDerWaalsContact SG-SG 3.69Å; S190-C206 PolarHBondContact OG-SG 3.41Å; L192-C206 HydrophobicContact CD2-CB 3.92Å; C206-V208 PolarHBondContact O-N 3.31Å; C206-V208 PolarHBondContact SG-N 3.3Å; C206-C211 HydrophobicContact CB-CB 3.92Å; C206-C211 WeakPolarHBondContact CB-SG 3.28Å; C206-F213 HydrophobicContact CB-CB 4.49Å
207	P	49.1	Very low	39	Very low	50 Å²	50	87.4 Å²	87.4	33%	0.325	47%	0.471	S	S	.	.	S	Bend	trans	-78.4	6.5	176.1	32.6	-36.5	0	0	0	114.3	K191 I193 I237	K191-P207 WeakPolarHBondContact O-CD 3.11Å; K191-P207 WeakPolarHBondContact O-CG 2.91Å; I193-P207 HydrophobicContact CD1-CB 3.95Å; I193-P207 HydrophobicContact CD1-CG 4.14Å; I193-P207 HydrophobicContact CG1-CG 4.48Å; P207-I237 HydrophobicContact CB-CD1 4.07Å
208	V	49.2	Very low	38.6	Very low	45 Å²	45	88.8 Å²	88.8	27%	0.273	49%	0.49	S	S	.	.	S	Bend	trans	-96.6	115.6	175.9	177.6	0	0	0	0	108.3	V188 C206 E210 C211	V188-V208 HydrophobicContact CG1-CG2 4.17Å; C206-V208 PolarHBondContact O-N 3.31Å; C206-V208 PolarHBondContact SG-N 3.3Å; V208-E210 PolarHBondContact O-N 2.81Å; V208-C211 HydrophobicContact CB-CB 4.38Å; V208-C211 PolarHBondContact O-N 3.27Å
209	G	41.6	Very low	38.4	Very low	90 Å²	90	92.1 Å²	92.1	93%	0.928	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	9	-173.7	0	0	0	0	0	117.1
210	E	48	Very low	38.4	Very low	146 Å²	146	85 Å²	85	68%	0.682	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-5.5	176.4	-62.7	175.3	-164.1	0	0	113.2	R186 V208	R186-E210 VanDerWaalsContact CZ-O 3.28Å; R186-E210 PolarHBondContact NH1-O 3.12Å; R186-E210 PolarHBondContact NH2-O 3.39Å; V208-E210 PolarHBondContact O-N 2.81Å
211	C	45.4	Very low	38.3	Very low	17 Å²	17	79.3 Å²	79.3	12%	0.115	47%	0.473	C	S	.	.			trans	-86.2	121.9	172.4	157.1	0	0	0	0	108.8	C180 E182 C183 C206 V208 F213	C180-C211 HydrophobicContact CB-CB 4.49Å; C180-C211 WeakPolarHBondContact CB-SG 3.26Å; C180-C211 WeakPolarHBondContact SG-CB 3.08Å; C180-C211 CovalentContact SG-SG 2.08Å; C180-C211 PolarHBondContact SG-SG 3.06Å; E182-C211 VanDerWaalsContact OE2-CA 3.29Å; E182-C211 WeakPolarHBondContact OE2-CA 3.29Å; C183-C211 WeakPolarHBondContact SG-CB 3.17Å; C206-C211 HydrophobicContact CB-CB 3.92Å; C206-C211 WeakPolarHBondContact CB-SG 3.28Å; V208-C211 HydrophobicContact CB-CB 4.38Å; V208-C211 PolarHBondContact O-N 3.27Å; C211-F213 PolarHBondContact O-N 3.41Å; C211-F213 WeakPolarHBondContact SG-CB 3.32Å
212	S	45.5	Very low	38.1	Very low	70 Å²	70	79 Å²	79	49%	0.49	48%	0.477	S	S	.	.			trans	-80.9	5.6	-178.5	37.5	0	0	0	0	113.9	E182 P214	E182-S212 WeakPolarHBondContact OE1-CA 3.31Å; E182-S212 WeakPolarHBondContact OE1-CB 3.24Å; E182-S212 PolarHBondContact OE1-N 3.3Å; E182-S212 PolarHBondContact OE1-OG 2.85Å; E182-S212 PolarHBondContact OE2-N 3.3Å; E182-S212 PolarHBondContact OE2-OG 3.35Å; S212-P214 CarbonylContact O-C 3.28Å
213	F	43.6	Very low	37.8	Very low	47 Å²	47	81 Å²	81	21%	0.206	48%	0.484	C	S	.	.			trans	-62.3	133.5	-172.9	-176.4	-76.7	0	0	0	112.3	C180 E182 L192 L204 C206 C211	C180-F213 HydrophobicContact CB-CB 4.48Å; E182-F213 PolarHBondContact OE1-N 3.43Å; L192-F213 HydrophobicContact CD1-CD1 4.04Å; L192-F213 HydrophobicContact CD1-CE1 3.42Å; L192-F213 VanDerWaalsContact CD1-CE1 3.42Å; L192-F213 HydrophobicContact CD1-CE2 4.16Å; L192-F213 HydrophobicContact CD1-CZ 3.49Å; L192-F213 VanDerWaalsContact CD1-CZ 3.49Å; L192-F213 HydrophobicContact CD2-CD1 3.54Å; L192-F213 HydrophobicContact CD2-CE1 3.8Å; L192-F213 HydrophobicContact CD2-CG 4.08Å; L192-F213 HydrophobicContact CD2-CZ 4.49Å; L192-F213 HydrophobicContact CG-CD1 4.47Å; L192-F213 HydrophobicContact CG-CE1 4.27Å; L204-F213 HydrophobicContact CB-CE1 3.95Å; C206-F213 HydrophobicContact CB-CB 4.49Å; C211-F213 PolarHBondContact O-N 3.41Å; C211-F213 WeakPolarHBondContact SG-CB 3.32Å
214	P	45.8	Very low	37	Very low	68 Å²	68	86.2 Å²	86.2	44%	0.442	50%	0.499	S	S	.	.	S	Bend	cis	-88	129.5	2.2	32.6	-32.9	0	0	0	113.5	L203 S212 D216	L203-P214 HydrophobicContact CD1-CG 4.43Å; S212-P214 CarbonylContact O-C 3.28Å; P214-D216 PolarHBondContact O-N 2.85Å
215	L	31.9	Very low	36.2	Very low	106 Å²	106	89.2 Å²	89.2	56%	0.555	52%	0.515	S	S	*	.			trans	-69.6	108.1	168.7	-75.5	162.9	0	0	0	111	E182 Q217	E182-L215 HydrophobicContact CG-CD1 4.19Å; E182-L215 WeakPolarHBondContact OE1-CD1 3.18Å; E182-L215 WeakPolarHBondContact OE1-CG 3.35Å; L215-Q217 VanDerWaalsContact C-N 3.29Å; L215-Q217 PolarHBondContact O-N 3.28Å
216	D	29.5	Very low	35	Very low	165 Å²	165	91.4 Å²	91.4	88%	0.882	54%	0.536	S	S	*	.	S	Bend	trans	40.6	34.7	156.2	-70.4	-31	0	0	0	119.6	P214	P214-D216 PolarHBondContact O-N 2.85Å
217	Q	27.6	Very low	33.9	Very low	191 Å²	191	95.5 Å²	95.5	89%	0.893	56%	0.56	S	S	*	*			trans	-124.4	69.6	173.5	-65	-168.9	19.1	0	0	112.4	L215	L215-Q217 VanDerWaalsContact C-N 3.29Å; L215-Q217 PolarHBondContact O-N 3.28Å
218	G	26	Very low	32.7	Very low	53 Å²	53	103.9 Å²	103.9	55%	0.546	59%	0.585	S	S	.	*			trans	173	126.1	168.3	0	0	0	0	0	113.4	D220	G218-D220 PolarHBondContact O-N 3.18Å
219	P	25.9	Very low	31.6	Very low	115 Å²	115	105 Å²	105	75%	0.747	59%	0.593	S	S	*	*			trans	-76.6	9.9	-174.3	32	-37.1	0	0	0	114.8	V221	P219-V221 PolarHBondContact O-N 2.95Å
220	D	27.3	Very low	30.8	Very low	59 Å²	59	107.5 Å²	107.5	32%	0.316	58%	0.58	S	S	.	*			trans	-99.1	92.6	-168.8	-119.6	-31.6	0	0	0	111.9	R201 G218 L222	R201-D220 IonicContact CZ-OD1 3.44Å; R201-D220 IonicContact CZ-OD2 2.77Å; R201-D220 IonicContact NE-OD2 2.66Å; R201-D220 IonicContact NH1-OD1 2.96Å; R201-D220 PolarHBondContact NH1-OD1 3.06Å; R201-D220 IonicContact NH1-OD2 2.81Å; R201-D220 IonicContact NH2-OD1 3.34Å; R201-D220 PolarHBondContact NH2-OD1 2.63Å; R201-D220 IonicContact NH2-OD2 3.22Å; R201-D220 PolarHBondContact NH2-OD2 2.68Å; G218-D220 PolarHBondContact O-N 3.18Å; D220-L222 VanDerWaalsContact C-N 3.27Å; D220-L222 PolarHBondContact O-N 3.5Å
221	V	25.8	Very low	29.7	Very low	110 Å²	110	103.3 Å²	103.3	67%	0.667	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	70.3	-167.6	-167.7	0	0	0	0	113.5	P219	P219-V221 PolarHBondContact O-N 2.95Å
222	L	26	Very low	28.7	Very low	78 Å²	78	107.2 Å²	107.2	41%	0.408	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.7	-6.2	157.6	-72.3	156.8	0	0	0	111.1	V197 D220 R224	V197-L222 HydrophobicContact CB-CD1 4.44Å; V197-L222 HydrophobicContact CG1-CD1 3.81Å; V197-L222 HydrophobicContact CG1-CD2 4.01Å; V197-L222 HydrophobicContact CG1-CG 4.34Å; D220-L222 VanDerWaalsContact C-N 3.27Å; D220-L222 PolarHBondContact O-N 3.5Å; L222-R224 PolarHBondContact O-N 3.12Å
223	S	25.7	Very low	27.7	Very low	87 Å²	87	116.4 Å²	116.4	61%	0.608	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	15.7	-175.3	44.1	0	0	0	0	116.1
224	R	23.9	Very low	26.8	Very low	170 Å²	170	117.4 Å²	117.4	64%	0.642	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	10	177.2	-71.1	-167.4	175.4	-157.2	-1.2	114.6	L222 C226	L222-R224 PolarHBondContact O-N 3.12Å; R224-C226 PolarHBondContact O-N 3.23Å; R224-C226 VanDerWaalsContact O-N 3.13Å
225	L	24.7	Very low	25.8	Very low	116 Å²	116	121.8 Å²	121.8	61%	0.607	65%	0.652	S	S	*	*			trans	-87.6	78.1	-179.7	-146	164.1	0	0	0	110.6	V227	L225-V227 HydrophobicContact CD2-CG2 3.8Å; L225-V227 PolarHBondContact O-N 3.26Å
226	C	23.9	Very low	25.6	Very low	124 Å²	124	119.9 Å²	119.9	84%	0.838	65%	0.648	S	S	*	*			trans	-66.5	92.1	-178.2	-68.2	0	0	0	0	112.7	R224	R224-C226 PolarHBondContact O-N 3.23Å; R224-C226 VanDerWaalsContact O-N 3.13Å
227	V	25	Very low	25.7	Very low	98 Å²	98	114.4 Å²	114.4	59%	0.594	62%	0.618	S	S	*	*			trans	-94.7	86.4	161.6	-172.5	0	0	0	0	108.3	L225 T229	L225-V227 HydrophobicContact CD2-CG2 3.8Å; L225-V227 PolarHBondContact O-N 3.26Å; V227-T229 HydrophobicContact CG1-CG2 4.13Å; V227-T229 PolarHBondContact O-N 3.35Å
228	R	23.7	Very low	25.9	Very low	226 Å²	226	109.9 Å²	109.9	85%	0.853	60%	0.597	S	S	*	*			trans	-68.5	107.6	158.8	-87.3	-175.2	170.3	164.4	-1.8	107.1
229	T	25.9	Very low	26.3	Very low	70 Å²	70	110.7 Å²	110.7	43%	0.429	59%	0.585	S	S	.	*			trans	-84	116.5	160.4	41.7	0	0	0	0	107.9	V227 V231	V227-T229 HydrophobicContact CG1-CG2 4.13Å; V227-T229 PolarHBondContact O-N 3.35Å; T229-V231 PolarHBondContact O-N 3.48Å
230	E	25.3	Very low	26.8	Very low	141 Å²	141	113.2 Å²	113.2	66%	0.659	58%	0.58	S	S	*	*			trans	-76.8	68.6	172.1	-61.5	-167.6	163.9	0	0	109.4	E54 P232	E54-E230 HydrophobicContact CG-CB 3.94Å; E54-E230 HydrophobicContact CG-CG 4.07Å; E54-E230 PolarHBondContact OE2-N 2.85Å; E230-P232 WeakPolarHBondContact O-CD 3.46Å; E230-P232 VanDerWaalsContact O-N 3.13Å
231	V	26	Very low	27.3	Very low	59 Å²	59	116.5 Å²	116.5	36%	0.358	59%	0.592	S	S	.	*			trans	-70.3	109.2	175.8	-173.3	0	0	0	0	107.8	T229 I237	T229-V231 PolarHBondContact O-N 3.48Å; V231-I237 HydrophobicContact CG1-CG1 4.23Å; V231-I237 HydrophobicContact CG2-CD1 4.37Å; V231-I237 HydrophobicContact CG2-CG1 4.11Å; V231-I237 HydrophobicContact CG2-CG2 4.3Å
232	P	24.2	Very low	27.9	Very low	99 Å²	99	113.4 Å²	113.4	64%	0.643	57%	0.573	S	S	*	*			trans	-63.6	143.7	179.3	28.9	-35.3	0	0	0	108.7	E230 S234	E230-P232 WeakPolarHBondContact O-CD 3.46Å; E230-P232 VanDerWaalsContact O-N 3.13Å; P232-S234 VanDerWaalsContact C-N 3.31Å; P232-S234 WeakPolarHBondContact O-CB 3.33Å; P232-S234 PolarHBondContact O-N 3.36Å; P232-S234 PolarHBondContact O-OG 2.86Å
233	R	23.7	Very low	28.6	Very low	262 Å²	262	111.6 Å²	111.6	99%	0.989	56%	0.563	S	S	*	*	S	Bend	trans	-50.4	88.2	-174.8	-73.7	178.8	172.5	160.7	-2.6	112.5
234	S	26	Very low	29.4	Very low	69 Å²	69	110.2 Å²	110.2	48%	0.483	55%	0.547	S	S	.	.	S	Bend	trans	-156.2	144.4	-175.2	60.8	0	0	0	0	107.4	P232 S236	P232-S234 VanDerWaalsContact C-N 3.31Å; P232-S234 WeakPolarHBondContact O-CB 3.33Å; P232-S234 PolarHBondContact O-N 3.36Å; P232-S234 PolarHBondContact O-OG 2.86Å; S234-S236 PolarHBondContact O-N 3.28Å
235	T	24.7	Very low	30.1	Very low	159 Å²	159	104.2 Å²	104.2	98%	0.975	53%	0.534	S	S	*	.	S	Bend	trans	-81.7	25.5	-158	43.3	0	0	0	0	115.2
236	S	27.5	Very low	31	Very low	67 Å²	67	100.3 Å²	100.3	47%	0.469	51%	0.514	S	S	.	.			trans	-154.3	107.4	-179.3	55.2	0	0	0	0	112.5	S234 E238	S234-S236 PolarHBondContact O-N 3.28Å; S236-E238 PolarHBondContact O-N 3.47Å; S236-E238 VanDerWaalsContact O-N 3.07Å
237	I	31.3	Very low	32.1	Very low	50 Å²	50	99 Å²	99	26%	0.256	50%	0.498	S	S	.	.			trans	-67.5	102.9	155.1	-49.9	-173	0	0	0	106.4	P207 V231 F239	P207-I237 HydrophobicContact CB-CD1 4.07Å; V231-I237 HydrophobicContact CG1-CG1 4.23Å; V231-I237 HydrophobicContact CG2-CD1 4.37Å; V231-I237 HydrophobicContact CG2-CG1 4.11Å; V231-I237 HydrophobicContact CG2-CG2 4.3Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 HydrophobicContact CB-CD2 4.45Å; I237-F239 HydrophobicContact CB-CE2 3.86Å; I237-F239 HydrophobicContact CB-CZ 3.9Å; I237-F239 HydrophobicContact CD1-CZ 4.37Å; I237-F239 HydrophobicContact CG2-CD1 4.31Å; I237-F239 HydrophobicContact CG2-CD2 4.41Å; I237-F239 HydrophobicContact CG2-CE1 3.97Å; I237-F239 HydrophobicContact CG2-CE2 4.08Å; I237-F239 HydrophobicContact CG2-CZ 3.83Å; I237-F239 WeakPolarHBondContact O-CD2 3.39Å; I237-F239 WeakPolarHBondContact O-CE2 3.01Å; I237-F239 PolarHBondContact O-N 3.01Å
238	E	31.8	Very low	32.9	Very low	95 Å²	95	101.6 Å²	101.6	44%	0.444	50%	0.497	S	S	.	.			trans	-75.1	88.4	172.9	-71.8	-177.6	156.3	0	0	108.9	S236 R240 K241	S236-E238 PolarHBondContact O-N 3.47Å; S236-E238 VanDerWaalsContact O-N 3.07Å; E238-R240 PolarHBondContact O-N 2.72Å; E238-K241 HydrophobicContact CB-CD 4.19Å; E238-K241 HydrophobicContact CB-CG 4.24Å; E238-K241 WeakPolarHBondContact O-CB 3.25Å; E238-K241 PolarHBondContact O-N 3.37Å; E238-K241 WeakPolarHBondContact OE2-CD 3.28Å; E238-K241 WeakPolarHBondContact OE2-CE 3.31Å; E238-K241 IonicContact OE2-NZ 3.97Å; E238-K241 PolarHBondContact OE2-NZ 3.25Å
239	F	33.7	Very low	33.8	Very low	70 Å²	70	92.6 Å²	92.6	31%	0.307	47%	0.466	S	S	.	.	H	α-helix	trans	-53.2	-21.7	176.8	-67.1	-81.5	0	0	0	113.4	V157 Y159 I193 I237 K241 V242 N243	V157-F239 HydrophobicContact CG1-CB 4.47Å; V157-F239 HydrophobicContact CG1-CD1 4.38Å; Y159-F239 HydrophobicContact CE1-CB 4.41Å; I193-F239 HydrophobicContact CD1-CE1 3.9Å; I193-F239 HydrophobicContact CD1-CE2 4.09Å; I193-F239 HydrophobicContact CD1-CZ 3.34Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 HydrophobicContact CB-CD2 4.45Å; I237-F239 HydrophobicContact CB-CE2 3.86Å; I237-F239 HydrophobicContact CB-CZ 3.9Å; I237-F239 HydrophobicContact CD1-CZ 4.37Å; I237-F239 HydrophobicContact CG2-CD1 4.31Å; I237-F239 HydrophobicContact CG2-CD2 4.41Å; I237-F239 HydrophobicContact CG2-CE1 3.97Å; I237-F239 HydrophobicContact CG2-CE2 4.08Å; I237-F239 HydrophobicContact CG2-CZ 3.83Å; I237-F239 WeakPolarHBondContact O-CD2 3.39Å; I237-F239 WeakPolarHBondContact O-CE2 3.01Å; I237-F239 PolarHBondContact O-N 3.01Å; F239-K241 PolarHBondContact O-N 2.91Å; F239-V242 WeakPolarHBondContact O-CB 3.44Å; F239-V242 PolarHBondContact O-N 3.09Å; F239-V242 VanDerWaalsContact O-N 3.16Å; F239-N243 PolarHBondContact O-N 2.8Å
240	R	36.5	Very low	34.8	Very low	168 Å²	168	89.7 Å²	89.7	63%	0.634	45%	0.449	S	S	*	.	H	α-helix	trans	-56.4	-44.1	167.4	-178.2	176.3	174.3	150.8	4.8	113.3	Y159 E238 V242 N243 E244	Y159-R240 WeakPolarHBondContact OH-CA 3.37Å; Y159-R240 PolarHBondContact OH-N 3.03Å; Y159-R240 VanDerWaalsContact OH-N 3.1Å; E238-R240 PolarHBondContact O-N 2.72Å; R240-V242 VanDerWaalsContact C-N 3.26Å; R240-V242 PolarHBondContact O-N 2.92Å; R240-N243 PolarHBondContact O-N 3.19Å; R240-E244 HydrophobicContact CG-CG 4.42Å; R240-E244 WeakPolarHBondContact CG-OE1 3.15Å; R240-E244 IonicContact CZ-OE1 3.96Å; R240-E244 IonicContact NE-OE1 3.96Å; R240-E244 PolarHBondContact NE-OE1 2.71Å; R240-E244 IonicContact NH2-OE1 2.84Å; R240-E244 PolarHBondContact NH2-OE1 3.26Å; R240-E244 WeakPolarHBondContact O-CB 3.44Å; R240-E244 WeakPolarHBondContact O-CG 3.05Å; R240-E244 PolarHBondContact O-N 3.37Å
241	K	39	Very low	36.1	Very low	129 Å²	129	87.7 Å²	87.7	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-64.9	-31.2	175.5	-73.3	175.8	170.3	145.5	0	112.1	E238 F239 A245	E238-K241 HydrophobicContact CB-CD 4.19Å; E238-K241 HydrophobicContact CB-CG 4.24Å; E238-K241 WeakPolarHBondContact O-CB 3.25Å; E238-K241 PolarHBondContact O-N 3.37Å; E238-K241 WeakPolarHBondContact OE2-CD 3.28Å; E238-K241 WeakPolarHBondContact OE2-CE 3.31Å; E238-K241 IonicContact OE2-NZ 3.97Å; E238-K241 PolarHBondContact OE2-NZ 3.25Å; F239-K241 PolarHBondContact O-N 2.91Å; K241-A245 VanDerWaalsContact O-CB 3.31Å; K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 2.85Å
242	V	36.8	Very low	36.9	Very low	45 Å²	45	89.9 Å²	89.9	27%	0.273	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-47.5	176.1	-176	0	0	0	0	110.3	F239 R240 A245 I246	F239-V242 WeakPolarHBondContact O-CB 3.44Å; F239-V242 PolarHBondContact O-N 3.09Å; F239-V242 VanDerWaalsContact O-N 3.16Å; R240-V242 VanDerWaalsContact C-N 3.26Å; R240-V242 PolarHBondContact O-N 2.92Å; V242-A245 PolarHBondContact O-N 3.08Å; V242-I246 HydrophobicContact CG1-CD1 4.15Å; V242-I246 WeakPolarHBondContact O-CG1 3.33Å; V242-I246 PolarHBondContact O-N 2.77Å
243	N	40.5	Very low	37.9	Very low	39 Å²	39	85.2 Å²	85.2	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-61.7	-46.8	173.4	-72.7	11.9	0	0	0	111.4	V157 F239 R240 A245 I246 D247	V157-N243 VanDerWaalsContact CB-OD1 3.23Å; V157-N243 WeakPolarHBondContact CB-OD1 3.25Å; V157-N243 WeakPolarHBondContact CG2-OD1 3.49Å; F239-N243 PolarHBondContact O-N 2.8Å; R240-N243 PolarHBondContact O-N 3.19Å; N243-A245 PolarHBondContact O-N 2.82Å; N243-A245 VanDerWaalsContact O-N 3.16Å; N243-I246 PolarHBondContact O-N 3.25Å; N243-I246 VanDerWaalsContact O-N 3.07Å; N243-D247 WeakPolarHBondContact O-CB 3.48Å; N243-D247 VanDerWaalsContact O-CG 3.27Å; N243-D247 PolarHBondContact O-N 3.4Å
244	E	43.7	Very low	39.4	Very low	58 Å²	58	75.3 Å²	75.3	27%	0.271	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-24.1	177	-73.8	-179.6	-161.1	0	0	113	R240 R248	R240-E244 HydrophobicContact CG-CG 4.42Å; R240-E244 WeakPolarHBondContact CG-OE1 3.15Å; R240-E244 IonicContact CZ-OE1 3.96Å; R240-E244 IonicContact NE-OE1 3.96Å; R240-E244 PolarHBondContact NE-OE1 2.71Å; R240-E244 IonicContact NH2-OE1 2.84Å; R240-E244 PolarHBondContact NH2-OE1 3.26Å; R240-E244 WeakPolarHBondContact O-CB 3.44Å; R240-E244 WeakPolarHBondContact O-CG 3.05Å; R240-E244 PolarHBondContact O-N 3.37Å; E244-R248 WeakPolarHBondContact O-CB 3.17Å; E244-R248 WeakPolarHBondContact O-CD 2.95Å; E244-R248 WeakPolarHBondContact O-CG 3.48Å; E244-R248 PolarHBondContact O-N 2.91Å; E244-R248 PolarHBondContact O-NE 3.26Å; E244-R248 IonicContact OE2-NH2 3.64Å; E244-R248 PolarHBondContact OE2-NH2 2.83Å
245	A	38.9	Very low	40.7	Very low	45 Å²	45	78.2 Å²	78.2	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-80.4	-39.1	172.1	0	0	0	0	0	112.5	K241 V242 N243 R248 L249	K241-A245 VanDerWaalsContact O-CB 3.31Å; K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 2.85Å; V242-A245 PolarHBondContact O-N 3.08Å; N243-A245 PolarHBondContact O-N 2.82Å; N243-A245 VanDerWaalsContact O-N 3.16Å; A245-R248 PolarHBondContact O-N 2.87Å; A245-L249 WeakPolarHBondContact O-CB 3.36Å; A245-L249 PolarHBondContact O-N 2.83Å
246	I	41.9	Very low	41.6	Very low	34 Å²	34	72.3 Å²	72.3	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-46.5	173	-68.8	167.2	0	0	0	110.2	L152 V242 N243 R248 L249 C250	L152-I246 HydrophobicContact CB-CG2 4.13Å; L152-I246 HydrophobicContact CD2-CG2 4.24Å; V242-I246 HydrophobicContact CG1-CD1 4.15Å; V242-I246 WeakPolarHBondContact O-CG1 3.33Å; V242-I246 PolarHBondContact O-N 2.77Å; N243-I246 PolarHBondContact O-N 3.25Å; N243-I246 VanDerWaalsContact O-N 3.07Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 2.97Å; I246-L249 PolarHBondContact O-N 3.43Å; I246-L249 VanDerWaalsContact O-N 3.13Å; I246-C250 PolarHBondContact O-N 3.12Å
247	D	47	Very low	42.7	Very low	95 Å²	95	70 Å²	70	51%	0.508	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-45.1	175.8	-69.3	-30.9	0	0	0	111.1	N243 C250 L251	N243-D247 WeakPolarHBondContact O-CB 3.48Å; N243-D247 VanDerWaalsContact O-CG 3.27Å; N243-D247 PolarHBondContact O-N 3.4Å; D247-C250 PolarHBondContact O-N 2.76Å; D247-L251 WeakPolarHBondContact O-CB 3.36Å; D247-L251 VanDerWaalsContact O-CG 3.29Å; D247-L251 WeakPolarHBondContact O-CG 3.05Å; D247-L251 PolarHBondContact O-N 3.48Å
248	R	43.7	Very low	44	Very low	154 Å²	154	74.4 Å²	74.4	58%	0.581	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-38.1	175.9	-74.7	166.4	-159.5	152.2	14.1	112.5	E244 A245 I246 L251 F252	E244-R248 WeakPolarHBondContact O-CB 3.17Å; E244-R248 WeakPolarHBondContact O-CD 2.95Å; E244-R248 WeakPolarHBondContact O-CG 3.48Å; E244-R248 PolarHBondContact O-N 2.91Å; E244-R248 PolarHBondContact O-NE 3.26Å; E244-R248 IonicContact OE2-NH2 3.64Å; E244-R248 PolarHBondContact OE2-NH2 2.83Å; A245-R248 PolarHBondContact O-N 2.87Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 2.97Å; R248-L251 PolarHBondContact O-N 3.35Å; R248-F252 WeakPolarHBondContact O-CB 3.33Å; R248-F252 PolarHBondContact O-N 3.24Å
249	L	41.5	Very low	44.8	Very low	37 Å²	37	72.6 Å²	72.6	19%	0.194	36%	0.359	C	S	.	.	H	α-helix	trans	-70.4	-39	176.5	-177.4	56.3	0	0	0	111.7	I51 L152 A245 I246 F252 I253	I51-L249 HydrophobicContact CG2-CD1 4.18Å; I51-L249 HydrophobicContact CG2-CD2 4.42Å; L152-L249 HydrophobicContact CD1-CB 4.36Å; L152-L249 HydrophobicContact CD1-CD2 3.65Å; L152-L249 HydrophobicContact CD1-CG 3.71Å; L152-L249 HydrophobicContact CD2-CD2 4.32Å; A245-L249 WeakPolarHBondContact O-CB 3.36Å; A245-L249 PolarHBondContact O-N 2.83Å; I246-L249 PolarHBondContact O-N 3.43Å; I246-L249 VanDerWaalsContact O-N 3.13Å; L249-F252 HydrophobicContact CD1-CD1 4.26Å; L249-F252 PolarHBondContact O-N 2.77Å; L249-I253 HydrophobicContact CD1-CD1 4.24Å; L249-I253 HydrophobicContact CD1-CG1 4.41Å; L249-I253 HydrophobicContact CG-CD1 4.09Å; L249-I253 WeakPolarHBondContact O-CD1 2.87Å; L249-I253 WeakPolarHBondContact O-CG1 2.84Å; L249-I253 PolarHBondContact O-N 3.3Å
250	C	46	Very low	45.4	Very low	9 Å²	9	73 Å²	73	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-42.4	172	-79.5	0	0	0	0	112.3	K149 L152 D153 I246 D247 I253 D254	K149-C250 HydrophobicContact CG-CB 4.09Å; L152-C250 WeakPolarHBondContact CB-SG 3.29Å; D153-C250 PolarHBondContact OD1-SG 3.19Å; I246-C250 PolarHBondContact O-N 3.12Å; D247-C250 PolarHBondContact O-N 2.76Å; C250-I253 PolarHBondContact O-N 2.83Å; C250-D254 PolarHBondContact O-N 2.96Å
251	L	52.6	Low	46.1	Very low	98 Å²	98	70.6 Å²	70.6	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-44.5	175.6	-71.7	167.6	0	0	0	111.9	D247 R248 I253 D254 E255	D247-L251 WeakPolarHBondContact O-CB 3.36Å; D247-L251 VanDerWaalsContact O-CG 3.29Å; D247-L251 WeakPolarHBondContact O-CG 3.05Å; D247-L251 PolarHBondContact O-N 3.48Å; R248-L251 PolarHBondContact O-N 3.35Å; L251-I253 VanDerWaalsContact C-N 3.27Å; L251-I253 PolarHBondContact O-N 3.03Å; L251-D254 PolarHBondContact O-N 3.35Å; L251-D254 VanDerWaalsContact O-N 3.17Å; L251-E255 WeakPolarHBondContact O-CG 3.26Å; L251-E255 PolarHBondContact O-N 3.41Å
252	F	44.5	Very low	46.5	Very low	106 Å²	106	67.8 Å²	67.8	47%	0.465	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-37.9	174.1	173.8	-100	0	0	0	112.3	R248 L249 A256	R248-F252 WeakPolarHBondContact O-CB 3.33Å; R248-F252 PolarHBondContact O-N 3.24Å; L249-F252 HydrophobicContact CD1-CD1 4.26Å; L249-F252 PolarHBondContact O-N 2.77Å; F252-A256 VanDerWaalsContact O-CB 3.31Å; F252-A256 WeakPolarHBondContact O-CB 3.34Å; F252-A256 PolarHBondContact O-N 2.88Å
253	I	45.1	Very low	46.7	Very low	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-68.9	-41.5	175.3	-66.8	161.2	0	0	0	111.3	M145 L148 K149 L152 L249 C250 L251 A256 L257	M145-I253 HydrophobicContact CB-CG2 4.01Å; M145-I253 HydrophobicContact CE-CB 4.33Å; M145-I253 HydrophobicContact CE-CG1 3.8Å; M145-I253 HydrophobicContact CE-CG2 4.25Å; M145-I253 WeakPolarHBondContact O-CG2 3.14Å; M145-I253 HydrophobicContact SD-CG1 4.33Å; L148-I253 HydrophobicContact CB-CD1 4.45Å; L148-I253 HydrophobicContact CD2-CD1 3.87Å; L148-I253 HydrophobicContact CG-CD1 3.89Å; K149-I253 HydrophobicContact CB-CB 4.37Å; K149-I253 HydrophobicContact CB-CD1 4.23Å; K149-I253 HydrophobicContact CB-CG2 3.82Å; K149-I253 HydrophobicContact CG-CG2 4.37Å; L152-I253 HydrophobicContact CD1-CD1 3.77Å; L249-I253 HydrophobicContact CD1-CD1 4.24Å; L249-I253 HydrophobicContact CD1-CG1 4.41Å; L249-I253 HydrophobicContact CG-CD1 4.09Å; L249-I253 WeakPolarHBondContact O-CD1 2.87Å; L249-I253 WeakPolarHBondContact O-CG1 2.84Å; L249-I253 PolarHBondContact O-N 3.3Å; C250-I253 PolarHBondContact O-N 2.83Å; L251-I253 VanDerWaalsContact C-N 3.27Å; L251-I253 PolarHBondContact O-N 3.03Å; I253-A256 PolarHBondContact O-N 3.43Å; I253-L257 HydrophobicContact CG2-CD1 3.69Å; I253-L257 HydrophobicContact CG2-CG 4.35Å; I253-L257 WeakPolarHBondContact O-CB 3.39Å; I253-L257 WeakPolarHBondContact O-CD1 3.26Å; I253-L257 WeakPolarHBondContact O-CG 3.23Å; I253-L257 PolarHBondContact O-N 3.17Å
254	D	53.8	Low	46.6	Very low	53 Å²	53	71.6 Å²	71.6	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-48.5	174	-77.7	-26.6	0	0	0	111.4	K149 C250 L251 A256 L257 E258	K149-D254 WeakPolarHBondContact CD-OD1 3.11Å; K149-D254 WeakPolarHBondContact CE-OD1 3.47Å; K149-D254 WeakPolarHBondContact CE-OD2 3.18Å; K149-D254 IonicContact NZ-OD1 2.7Å; K149-D254 PolarHBondContact NZ-OD1 3.44Å; K149-D254 IonicContact NZ-OD2 3.01Å; K149-D254 PolarHBondContact NZ-OD2 3.26Å; C250-D254 PolarHBondContact O-N 2.96Å; L251-D254 PolarHBondContact O-N 3.35Å; L251-D254 VanDerWaalsContact O-N 3.17Å; D254-A256 VanDerWaalsContact C-N 3.32Å; D254-A256 PolarHBondContact O-N 2.84Å; D254-L257 PolarHBondContact O-N 3.03Å; D254-L257 VanDerWaalsContact O-N 3.09Å; D254-E258 PolarHBondContact O-N 3.19Å
255	E	53.1	Low	46.4	Very low	130 Å²	130	72.4 Å²	72.4	61%	0.607	39%	0.39	S	S	*	.	H	α-helix	trans	-59.5	-40.7	178	-71.7	173.8	-176.8	0	0	112	L251 L257 A259	L251-E255 WeakPolarHBondContact O-CG 3.26Å; L251-E255 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.33Å; E255-A259 WeakPolarHBondContact O-CB 3.43Å; E255-A259 PolarHBondContact O-N 3.34Å
256	A	44.1	Very low	46.2	Very low	36 Å²	36	77.4 Å²	77.4	30%	0.298	41%	0.411	S	S	.	.	H	α-helix	trans	-67.2	-32	175.4	0	0	0	0	0	113.3	M145 F252 I253 D254 E260	M145-A256 HydrophobicContact CE-CB 4.22Å; F252-A256 VanDerWaalsContact O-CB 3.31Å; F252-A256 WeakPolarHBondContact O-CB 3.34Å; F252-A256 PolarHBondContact O-N 2.88Å; I253-A256 PolarHBondContact O-N 3.43Å; D254-A256 VanDerWaalsContact C-N 3.32Å; D254-A256 PolarHBondContact O-N 2.84Å; A256-E260 PolarHBondContact O-N 2.89Å
257	L	51.2	Low	45.9	Very low	18 Å²	18	80 Å²	80	9%	0.094	44%	0.438	C	S	.	.	H	α-helix	trans	-78	-41.1	177.1	-70.4	163.1	0	0	0	112	M145 R146 I253 D254 E255 A259 E260 E261	M145-L257 HydrophobicContact CB-CD2 4.28Å; R146-L257 HydrophobicContact CG-CD1 3.37Å; R146-L257 HydrophobicContact CG-CD2 3.85Å; R146-L257 HydrophobicContact CG-CG 4.27Å; I253-L257 HydrophobicContact CG2-CD1 3.69Å; I253-L257 HydrophobicContact CG2-CG 4.35Å; I253-L257 WeakPolarHBondContact O-CB 3.39Å; I253-L257 WeakPolarHBondContact O-CD1 3.26Å; I253-L257 WeakPolarHBondContact O-CG 3.23Å; I253-L257 PolarHBondContact O-N 3.17Å; D254-L257 PolarHBondContact O-N 3.03Å; D254-L257 VanDerWaalsContact O-N 3.09Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.33Å; L257-A259 VanDerWaalsContact C-N 3.26Å; L257-A259 PolarHBondContact O-N 3.31Å; L257-E260 PolarHBondContact O-N 3.32Å; L257-E261 WeakPolarHBondContact O-CB 3.42Å; L257-E261 WeakPolarHBondContact O-CG 3.26Å; L257-E261 PolarHBondContact O-N 2.91Å
258	E	59.1	Low	44.9	Very low	142 Å²	142	79.5 Å²	79.5	66%	0.664	44%	0.441	S	S	*	.	H	α-helix	trans	-63.4	-33.5	174	-71.4	-172.7	177.6	0	0	111.5	D254 S262	D254-E258 PolarHBondContact O-N 3.19Å; E258-S262 WeakPolarHBondContact O-CB 3.47Å; E258-S262 PolarHBondContact O-N 2.7Å; E258-S262 PolarHBondContact O-OG 3.18Å
259	A	48.3	Very low	44.3	Very low	57 Å²	57	80.3 Å²	80.3	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-65	-47.3	172.7	0	0	0	0	0	112.8	E255 L257 S262 S263	E255-A259 WeakPolarHBondContact O-CB 3.43Å; E255-A259 PolarHBondContact O-N 3.34Å; L257-A259 VanDerWaalsContact C-N 3.26Å; L257-A259 PolarHBondContact O-N 3.31Å; A259-S262 PolarHBondContact O-OG 2.78Å; A259-S263 WeakPolarHBondContact O-CB 3.15Å; A259-S263 PolarHBondContact O-N 3.5Å
260	E	46.2	Very low	43.7	Very low	78 Å²	78	84.4 Å²	84.4	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-65.5	-43.5	174.8	-80.7	-72.5	138.2	0	0	111.6	R138 A256 L257 S262 S263 N264	R138-E260 IonicContact NH1-OE1 3.76Å; R138-E260 IonicContact NH1-OE2 2.72Å; A256-E260 PolarHBondContact O-N 2.89Å; L257-E260 PolarHBondContact O-N 3.32Å; E260-S262 PolarHBondContact O-N 3.46Å; E260-S263 PolarHBondContact O-N 2.86Å; E260-S263 PolarHBondContact O-OG 2.93Å; E260-N264 PolarHBondContact O-N 2.77Å; E260-N264 PolarHBondContact O-ND2 2.98Å
261	E	51.7	Low	42.9	Very low	119 Å²	119	91.8 Å²	91.8	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-34.6	-179.1	-71.2	-172.2	-179.8	0	0	112.6	R146 L257	R146-E261 IonicContact CZ-OE1 2.7Å; R146-E261 IonicContact NH1-OE1 2.64Å; R146-E261 PolarHBondContact NH1-OE1 3.11Å; L257-E261 WeakPolarHBondContact O-CB 3.42Å; L257-E261 WeakPolarHBondContact O-CG 3.26Å; L257-E261 PolarHBondContact O-N 2.91Å
262	S	47	Very low	41.8	Very low	69 Å²	69	93.6 Å²	93.6	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-76.2	-31.1	172.6	56.1	0	0	0	0	113.8	E258 A259 E260 N264 S265	E258-S262 WeakPolarHBondContact O-CB 3.47Å; E258-S262 PolarHBondContact O-N 2.7Å; E258-S262 PolarHBondContact O-OG 3.18Å; A259-S262 PolarHBondContact O-OG 2.78Å; E260-S262 PolarHBondContact O-N 3.46Å; S262-N264 PolarHBondContact O-N 3.16Å; S262-N264 VanDerWaalsContact O-N 3.15Å; S262-S265 PolarHBondContact O-N 3.03Å; S262-S265 PolarHBondContact O-OG 2.75Å
263	S	40.2	Very low	41	Very low	63 Å²	63	94.5 Å²	94.5	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-21.4	174.9	77.2	0	0	0	0	113.7	A259 E260	A259-S263 WeakPolarHBondContact O-CB 3.15Å; A259-S263 PolarHBondContact O-N 3.5Å; E260-S263 PolarHBondContact O-N 2.86Å; E260-S263 PolarHBondContact O-OG 2.93Å
264	N	39	Very low	40.3	Very low	102 Å²	102	102.7 Å²	102.7	55%	0.545	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.7	-8.3	-178.3	-77.3	-83	0	0	0	114.1	E260 S262	E260-N264 PolarHBondContact O-N 2.77Å; E260-N264 PolarHBondContact O-ND2 2.98Å; S262-N264 PolarHBondContact O-N 3.16Å; S262-N264 VanDerWaalsContact O-N 3.15Å
265	S	39.1	Very low	39.1	Very low	74 Å²	74	106.2 Å²	106.2	52%	0.517	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-21.6	-179.1	55.6	0	0	0	0	114.7	S262	S262-S265 PolarHBondContact O-N 3.03Å; S262-S265 PolarHBondContact O-OG 2.75Å
266	D	35.7	Very low	37.8	Very low	151 Å²	151	110.3 Å²	110.3	81%	0.807	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	0.8	-177.8	-68.3	-4.4	0	0	0	113.2
267	A	34.1	Very low	37	Very low	89 Å²	89	115.7 Å²	115.7	74%	0.736	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	2.5	-175.6	0	0	0	0	0	114.6
268	S	27	Very low	35.9	Very low	83 Å²	83	121.5 Å²	121.5	58%	0.58	66%	0.662	S	S	*	*	S	Bend	trans	-125	143.4	177	53.8	0	0	0	0	111.2
269	E	31.9	Very low	34.4	Very low	171 Å²	171	123.1 Å²	123.1	80%	0.799	67%	0.67	S	S	*	*			trans	67.6	62	176.6	-62.8	178.5	179	0	0	114.8	E271	E269-E271 HydrophobicContact CB-CG 4.37Å; E269-E271 PolarHBondContact O-N 2.78Å
270	S	27.7	Very low	33.4	Very low	124 Å²	124	124.7 Å²	124.7	87%	0.867	68%	0.677	S	S	*	*			trans	-68.2	63.4	153	66	0	0	0	0	110.7
271	E	29	Very low	32.5	Very low	163 Å²	163	128.8 Å²	128.8	76%	0.762	70%	0.696	S	S	*	*			trans	-66.1	138.6	175.4	-75.5	-151.8	135	0	0	111.1	E269	E269-E271 HydrophobicContact CB-CG 4.37Å; E269-E271 PolarHBondContact O-N 2.78Å
272	I	29.9	Very low	31.3	Very low	136 Å²	136	129.3 Å²	129.3	70%	0.697	70%	0.703	S	S	*	*			trans	-65.5	138.5	-172.4	-59.8	165.1	0	0	0	109	E274	I272-E274 HydrophobicContact CB-CG 4.29Å; I272-E274 HydrophobicContact CG2-CG 3.78Å; I272-E274 PolarHBondContact O-N 3.14Å
273	P	27.3	Very low	30.5	Very low	126 Å²	126	135 Å²	135	82%	0.818	72%	0.721	S	S	*	*			trans	-74.5	63.6	-178.8	31.3	-37	0	0	0	112.8	N275	P273-N275 PolarHBondContact O-N 2.93Å
274	E	31.4	Very low	29.8	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	73%	0.732	S	S	*	*			trans	-79.3	103.3	179.9	-68.2	-133.1	139.3	0	0	112.6	I272	I272-E274 HydrophobicContact CB-CG 4.29Å; I272-E274 HydrophobicContact CG2-CG 3.78Å; I272-E274 PolarHBondContact O-N 3.14Å
275	N	28.1	Very low	29.4	Very low	128 Å²	128	137.8 Å²	137.8	68%	0.684	75%	0.746	S	S	*	*			trans	-2.6	116.3	156.2	-84.7	-80.9	0	0	0	119.4	P273	P273-N275 PolarHBondContact O-N 2.93Å
276	R	26.8	Very low	28.8	Very low	216 Å²	216	140 Å²	140	82%	0.815	76%	0.756	S	S	*	*			trans	82.4	158.8	130.4	-61.2	170.3	173.6	-157.3	-6.9	119.9
277	L	27.2	Very low	28.5	Very low	148 Å²	148	141.2 Å²	141.2	78%	0.775	76%	0.757	S	S	*	*			trans	71.6	82.5	161.1	-70.9	161	0	0	0	116.8	H279	L277-H279 PolarHBondContact O-N 3.37Å
278	I	26.5	Very low	28.3	Very low	140 Å²	140	145.3 Å²	145.3	72%	0.718	77%	0.766	S	S	*	*				23.1	94.1	107.7	-44.2	169.3	0	0	0	113.6
279	H	28.2	Very low	28.3	Very low	177 Å²	177	149.1 Å²	149.1	82%	0.819	77%	0.774	S	S	*	*				-162.6	173.1	111	-106.2	-68.5	0	0	0	111.8	L277	L277-H279 PolarHBondContact O-N 3.37Å
280	S	26.4	Very low	28.1	Very low	89 Å²	89	148.3 Å²	148.3	62%	0.622	78%	0.775	S	S	*	*			trans	-96.5	171.6	-168.8	49.4	0	0	0	0	113.1
281	E	27.3	Very low	28.2	Very low	164 Å²	164	148.2 Å²	148.2	77%	0.766	78%	0.775	S	S	*	*			trans	85.7	117.9	164.4	-49.2	-167.2	136.2	0	0	117.1
282	N	27.2	Very low	28	Very low	131 Å²	131	147.5 Å²	147.5	70%	0.701	78%	0.782	S	S	*	*			trans	35.4	121.8	135.4	-47.5	-35.4	0	0	0	118.6
283	H	29.9	Very low	27.9	Very low	188 Å²	188	144.2 Å²	144.2	87%	0.87	78%	0.781	S	S	*	*				-169.4	161	96.9	-95.3	-65.8	0	0	0	112.1
284	S	25.6	Very low	28	Very low	95 Å²	95	144.6 Å²	144.6	66%	0.664	78%	0.781	S	S	*	*			trans	-81.8	156	-177.7	50	0	0	0	0	113
285	P	30.1	Very low	27.7	Very low	129 Å²	129	143 Å²	143	84%	0.838	78%	0.783	S	S	*	*			trans	-80.3	127.4	-163.7	30.9	-36.2	0	0	0	114.5
286	T	27.2	Very low	27.7	Very low	120 Å²	120	141.7 Å²	141.7	74%	0.736	78%	0.784	S	S	*	*			trans	-160.1	150.1	160.5	8.8	0	0	0	0	110.4
287	E	28.9	Very low	27.7	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	79%	0.789	S	S	*	*			trans	56.1	94.7	154.4	-64.3	171.6	-155.7	0	0	118.6
288	L	30.4	Very low	27.6	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	79%	0.79	S	S	*	*			trans	-157	85.1	136.6	-113.7	161.6	0	0	0	111.5
289	E	26.8	Very low	27.6	Very low	163 Å²	163	142 Å²	142	76%	0.762	80%	0.798	S	S	*	*			trans	-66.9	165.8	160.9	-62.1	179.3	126.7	0	0	110.6
290	N	27.8	Very low	27.3	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	80%	0.799	S	S	*	*			trans	80.1	86.2	169.7	-46	-76.6	0	0	0	117.5
291	S	29.4	Very low	27.4	Very low	123 Å²	123	143 Å²	143	86%	0.86	81%	0.805	S	S	*	*				-152.5	110.8	125.9	-166.7	0	0	0	0	111.7
292	T	26.2	Very low	27.3	Very low	147 Å²	147	140.5 Å²	140.5	90%	0.902	81%	0.806	S	S	*	*			trans	-77.5	126.1	168.4	49.2	0	0	0	0	109.9
293	G	27.1	Very low	27.2	Very low	67 Å²	67	139.6 Å²	139.6	69%	0.691	81%	0.805	S	S	*	*			trans	-153.7	86.4	-174	0	0	0	0	0	116.2
294	V	30.4	Very low	27.1	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	80%	0.8	S	S	*	*			trans	59.8	107.5	155	-172.8	0	0	0	0	117.5
295	V	24.4	Very low	27.1	Very low	139 Å²	139	141.2 Å²	141.2	84%	0.842	81%	0.808	S	S	*	*			trans	-70.5	132.5	152.2	175.4	0	0	0	0	108.8
296	S	28.4	Very low	27.2	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	81%	0.808	S	S	*	*			trans	-128.5	121.8	163.4	52	0	0	0	0	110.3	G298	S296-G298 PolarHBondContact O-N 2.9Å
297	E	25.3	Very low	27.3	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	81%	0.81	S	S	*	*			trans	-66.2	121.8	-179.3	-64.9	173.1	112.9	0	0	110.7
298	G	26.6	Very low	27.4	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	81%	0.81	S	S	*	*			trans	-108.1	18	-157.9	0	0	0	0	0	117.5	S296	S296-G298 PolarHBondContact O-N 2.9Å
299	R	24.8	Very low	27.6	Very low	236 Å²	236	143.3 Å²	143.3	89%	0.891	81%	0.809	S	S	*	*			trans	45.2	110.5	161.1	-165.8	-176.6	-160.8	173.7	5.8	117.9
300	M	22.8	Very low	27.5	Very low	170 Å²	170	140.7 Å²	140.7	84%	0.837	81%	0.807	S	S	*	*			trans	-51.4	131.4	168.5	-66.6	-179.6	77.7	0	0	112.2	S302	M300-S302 VanDerWaalsContact C-N 3.32Å; M300-S302 PolarHBondContact O-N 3.05Å
301	P	28.5	Very low	27.5	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	81%	0.809	S	S	*	*			trans	-80.7	76.5	171.5	32.9	-33.9	0	0	0	110.7	V303	P301-V303 PolarHBondContact O-N 3.06Å
302	S	25.3	Very low	27.2	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	80%	0.8	S	S	*	*			trans	-81.2	57.1	167.4	63.7	0	0	0	0	110.7	M300	M300-S302 VanDerWaalsContact C-N 3.32Å; M300-S302 PolarHBondContact O-N 3.05Å
303	V	25.9	Very low	27.1	Very low	111 Å²	111	141.2 Å²	141.2	67%	0.673	80%	0.798	S	S	*	*			trans	-156.5	128.3	-166.2	179.1	0	0	0	0	106.9	P301	P301-V303 PolarHBondContact O-N 3.06Å
304	L	27.9	Very low	27	Very low	149 Å²	149	143.2 Å²	143.2	78%	0.78	80%	0.799	S	S	*	*			cis	-147.3	166.3	-9.7	-110.7	166.8	0	0	0	106.8
305	M	25.4	Very low	26.7	Very low	168 Å²	168	145.4 Å²	145.4	83%	0.828	81%	0.805	S	S	*	*			trans	-80.9	125.2	158.3	-70.3	-178.1	178.6	0	0	108
306	D	32.2	Very low	27	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	81%	0.805	S	S	*	*			trans	-104.7	123.5	157.2	-79.5	-45.6	0	0	0	107.2
307	D	28.8	Very low	26.8	Very low	145 Å²	145	150 Å²	150	78%	0.775	81%	0.811	S	S	*	*			trans	-73.8	-167.2	176.7	-73.6	-66.6	0	0	0	111.7
308	E	30.5	Very low	26.7	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	80%	0.803	S	S	*	*			trans	76.1	61.7	176	-53.5	-165.9	-178.1	0	0	116.8
309	N	34.5	Very low	26.5	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	81%	0.805	S	S	*	*				-163.6	98.2	111.2	-101.4	-60.4	0	0	0	112.7
310	C	25.4	Very low	26.6	Very low	107 Å²	107	143.1 Å²	143.1	72%	0.723	80%	0.795	S	S	*	*			trans	-94	137.6	170.7	-68.9	0	0	0	0	111.2
311	I	27	Very low	26.6	Very low	166 Å²	166	141.5 Å²	141.5	85%	0.851	79%	0.794	S	S	*	*			trans	-121.3	98.4	146.5	-61.3	-177.8	0	0	0	106.8
312	P	24.6	Very low	26.4	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	79%	0.793	S	S	*	*			trans	-86.8	146.2	178.5	34.5	-31.9	0	0	0	111
313	L	23.7	Very low	26.1	Very low	166 Å²	166	143 Å²	143	87%	0.869	79%	0.789	S	S	*	*			trans	-129.4	149.2	161.6	-73	176.8	0	0	0	109.3
314	P	25.4	Very low	26.2	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	79%	0.791	S	S	*	*				-105.2	151.1	-127.3	36.2	-35.9	0	0	0	116.1
315	L	24.1	Very low	25.9	Very low	180 Å²	180	140.4 Å²	140.4	94%	0.942	78%	0.782	S	S	*	*			trans	-77.5	105.9	152.8	-78.7	162.7	0	0	0	109.2
316	E	29.1	Very low	26.1	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	78%	0.782	S	S	*	*			trans	-139.4	158.1	157.9	-78.9	-148.5	122.6	0	0	111.4
317	N	25	Very low	25.8	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	78%	0.778	S	S	*	*			trans	-96.6	159.8	-168.3	-60.3	-77	0	0	0	112.9
318	S	23.3	Very low	25.8	Very low	110 Å²	110	139 Å²	139	77%	0.769	78%	0.777	S	S	*	*			trans	68.1	145.8	169.6	76.3	0	0	0	0	115.3
319	N	23.2	Very low	25.9	Very low	151 Å²	151	136.8 Å²	136.8	81%	0.807	77%	0.771	S	S	*	*			cis	-140.4	174.9	18.6	-118.6	-19.5	0	0	0	111.2
320	P	26	Very low	25.5	Very low	106 Å²	106	135.3 Å²	135.3	69%	0.688	76%	0.762	S	S	*	*			trans	-86.1	-160.1	-169.6	38.5	-39.8	0	0	0	113.6
321	V	22.8	Very low	25.8	Very low	136 Å²	136	137 Å²	137	82%	0.824	77%	0.769	S	S	*	*			trans	99.4	123.6	178.4	179.7	0	0	0	0	112.7
322	V	23.6	Very low	25.8	Very low	120 Å²	120	136.8 Å²	136.8	73%	0.727	76%	0.764	S	S	*	*			cis	-151	149.6	-9.5	116.2	0	0	0	0	108.9
323	I	20.8	Very low	26.1	Very low	139 Å²	139	142.6 Å²	142.6	71%	0.713	77%	0.774	S	S	*	*			trans	-89.8	123.8	165.6	-56.3	171.8	0	0	0	107.7	V325	I323-V325 HydrophobicContact CB-CG2 4.06Å; I323-V325 HydrophobicContact CG2-CG2 3.64Å; I323-V325 PolarHBondContact O-N 3.26Å
324	P	26.3	Very low	26.4	Very low	108 Å²	108	142.7 Å²	142.7	70%	0.701	77%	0.77	S	S	*	*			trans	-73.2	93.8	167.7	30.3	-31.2	0	0	0	109.1	D326	P324-D326 PolarHBondContact O-N 3.28Å
325	V	22.8	Very low	26.7	Very low	99 Å²	99	141 Å²	141	60%	0.6	77%	0.773	S	S	*	*			trans	-89.8	82.3	176.6	-176.5	0	0	0	0	108.9	I323 V327	I323-V325 HydrophobicContact CB-CG2 4.06Å; I323-V325 HydrophobicContact CG2-CG2 3.64Å; I323-V325 PolarHBondContact O-N 3.26Å; V325-V327 HydrophobicContact CG1-CB 3.94Å; V325-V327 HydrophobicContact CG1-CG2 3.66Å; V325-V327 PolarHBondContact O-N 2.78Å
326	D	28.4	Very low	27.3	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	77%	0.766	S	S	*	*			trans	-82.2	61.6	169.2	-72.3	-13.8	0	0	0	109.9	P324	P324-D326 PolarHBondContact O-N 3.28Å
327	V	26.1	Very low	27.4	Very low	127 Å²	127	138.5 Å²	138.5	77%	0.77	76%	0.757	S	S	*	*			trans	-100.2	79.1	168.6	-179.7	0	0	0	0	107.7	V325	V325-V327 HydrophobicContact CG1-CB 3.94Å; V325-V327 HydrophobicContact CG1-CG2 3.66Å; V325-V327 PolarHBondContact O-N 2.78Å
328	E	30	Very low	27.9	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	75%	0.754	S	S	*	*			trans	-86.5	146.8	170.3	-64.8	-158.6	138.8	0	0	111.4
329	N	31.1	Very low	28.1	Very low	130 Å²	130	136.7 Å²	136.7	70%	0.695	75%	0.75	S	S	*	*			trans	69.5	81.8	169.8	-50.3	-53.8	0	0	0	115.4
330	I	26.3	Very low	28.3	Very low	137 Å²	137	135.6 Å²	135.6	70%	0.703	75%	0.749	S	S	*	*				69.3	104.9	79.5	-58.9	160.8	0	0	0	113.8
331	V	31.8	Very low	28.5	Very low	143 Å²	143	138.3 Å²	138.3	87%	0.867	76%	0.757	S	S	*	*				-139.2	140.7	122.8	179.6	0	0	0	0	107.7
332	Q	27.1	Very low	28.8	Very low	160 Å²	160	136.1 Å²	136.1	75%	0.748	75%	0.748	S	S	*	*			trans	-107.8	145.4	-179.9	-56.4	167.5	-64.4	0	0	110.9
333	Y	30.7	Very low	29.3	Very low	225 Å²	225	139.4 Å²	139.4	88%	0.882	76%	0.757	S	S	*	*			trans	-169.7	91.2	145.9	-100	-67.1	0	0	0	107.8
334	E	30.5	Very low	29.8	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	76%	0.761	S	S	*	*				49.2	107.2	92.6	-73.6	-147.1	167.5	0	0	115.5
335	G	32.8	Very low	30.3	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	76%	0.763	S	S	*	*			trans	-173.4	60.4	-178.9	0	0	0	0	0	117.1
336	K	35.5	Very low	30.8	Very low	185 Å²	185	146.1 Å²	146.1	80%	0.804	78%	0.775	S	S	*	*			trans	20.1	145.2	136.1	-72.9	164.4	-171.9	156.5	0	119.7
337	N	31.8	Very low	31.3	Very low	123 Å²	123	145 Å²	145	66%	0.658	77%	0.768	S	S	*	*			cis	179.6	165.7	-12.4	-137.5	49.1	0	0	0	107
338	D	34.4	Very low	31.9	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	76%	0.764	S	S	*	*			trans	60.1	170.7	155.5	-57.6	-38.7	0	0	0	117.9
339	A	28.8	Very low	32.4	Very low	84 Å²	84	142 Å²	142	69%	0.694	76%	0.757	S	S	*	*			cis	-160.4	162.9	-46.1	0	0	0	0	0	109.1
340	V	27.5	Very low	32.8	Very low	129 Å²	129	144 Å²	144	78%	0.782	76%	0.759	S	S	*	*			trans	-8.3	129.7	150.9	-172.5	0	0	0	0	116.3
341	L	30	Very low	33.4	Very low	162 Å²	162	144.3 Å²	144.3	85%	0.848	76%	0.758	S	S	*	*				-173.7	147.3	119.8	-98.8	168.4	0	0	0	113.9
342	S	28.9	Very low	33.7	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	75%	0.748	S	S	*	*			trans	-85.3	159.9	173.7	49.3	0	0	0	0	112.4
343	M	34.2	Very low	34.1	Very low	189 Å²	189	143.7 Å²	143.7	93%	0.931	75%	0.75	S	S	*	*			trans	-151.1	161.9	141.8	-112.9	179.1	-59.8	0	0	110.6
344	E	31.6	Very low	34.6	Very low	168 Å²	168	136.5 Å²	136.5	79%	0.785	74%	0.743	S	S	*	*			trans	-117.7	-165.3	-161.7	-62.5	168.8	117.5	0	0	111
345	D	35.4	Very low	35	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	74%	0.74	S	S	*	*			trans	79.2	114.6	160	-56	-20.7	0	0	0	120.6
346	E	35	Very low	35.4	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	74%	0.739	S	S	*	*				11.3	153	126.8	-38.7	-169.1	140.9	0	0	118.5
347	D	36.9	Very low	35.5	Very low	129 Å²	129	134 Å²	134	69%	0.69	73%	0.728	S	S	*	*			cis	-173.3	-167.4	36.6	-167.6	6.2	0	0	0	110.3
348	M	40.6	Very low	35.8	Very low	138 Å²	138	135.7 Å²	135.7	68%	0.68	74%	0.737	S	S	*	*			trans	83.9	77.7	147.8	-69.9	-71.6	178.4	0	0	120.6
349	S	38.9	Very low	35.8	Very low	85 Å²	85	132 Å²	132	59%	0.594	73%	0.733	S	S	*	*				91.3	131.2	103.4	82.1	0	0	0	0	122.9
350	K	39.2	Very low	36.1	Very low	172 Å²	172	134.7 Å²	134.7	75%	0.748	74%	0.74	S	S	*	*				80.5	115.2	124.5	-77.3	173.3	-177.6	168.6	0	122.9
351	H	39.2	Very low	36.3	Very low	145 Å²	145	136.5 Å²	136.5	67%	0.671	74%	0.74	S	S	*	*				98.1	136.9	119.2	-93.5	-66.6	0	0	0	122.1
352	N	38.4	Very low	36.4	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	74%	0.738	S	S	*	*			trans	81.2	145.5	152	-67.3	12.1	0	0	0	119
353	E	36.7	Very low	36.5	Very low	165 Å²	165	139 Å²	139	77%	0.771	75%	0.749	S	S	*	*			cis	167.7	139.3	-33.4	-111.5	178	-165.4	0	0	105.9
354	G	39.3	Very low	36.6	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	74%	0.739	S	S	*	*			trans	84.7	155.9	160.5	0	0	0	0	0	117.4
355	D	40	Very low	36.8	Very low	135 Å²	135	132 Å²	132	72%	0.722	74%	0.735	S	S	*	*			cis	-161.6	163.5	-16	-156.9	9	0	0	0	111.4
356	Q	40.1	Very low	36.6	Very low	158 Å²	158	132.4 Å²	132.4	74%	0.738	74%	0.735	S	S	*	*			trans	64	150.6	161.3	-70.1	151.9	50.3	0	0	120
357	S	39	Very low	36.5	Very low	83 Å²	83	130.8 Å²	130.8	58%	0.58	73%	0.732	S	S	*	*			cis	-169.2	167.2	-40	53.8	0	0	0	0	108.8
358	D	38.4	Very low	36.4	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	74%	0.737	S	S	*	*			trans	62.6	126.9	158.2	-45.9	-50.4	0	0	0	118.8
359	G	32.9	Very low	36	Very low	64 Å²	64	131.5 Å²	131.5	66%	0.66	74%	0.742	S	S	*	*			cis	154.5	168.2	-3.5	0	0	0	0	0	111.8
360	V	35.3	Very low	35.7	Very low	139 Å²	139	132.2 Å²	132.2	84%	0.842	75%	0.754	S	S	*	*			trans	68.2	130.9	169.6	-172.5	0	0	0	0	115.3
361	E	32	Very low	35.4	Very low	168 Å²	168	133.4 Å²	133.4	79%	0.785	76%	0.762	S	S	*	*			cis	-174.4	170.1	-26.9	-122.4	175.7	168.9	0	0	107.5
362	C	32.9	Very low	34.8	Very low	120 Å²	120	132.9 Å²	132.9	81%	0.811	76%	0.764	S	S	*	*			trans	66.2	105.2	162.1	-62.5	0	0	0	0	120.4
363	E	30.4	Very low	34.4	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	77%	0.769	S	S	*	*			trans	-64.8	-178.8	141.6	-45	-174.9	129.1	0	0	110.8
364	P	36.3	Very low	34.1	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	77%	0.767	S	S	*	*			cis	-138.6	-164.6	1.9	43	-24	0	0	0	115.3
365	S	36.4	Very low	33.7	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	77%	0.767	S	S	*	*			trans	103.8	98.7	150.5	69.5	0	0	0	0	120.8
366	I	31.7	Very low	33.2	Very low	151 Å²	151	135 Å²	135	77%	0.774	77%	0.77	S	S	*	*				75.8	108.4	124.5	-65.3	168.9	0	0	0	119.4
367	D	32.3	Very low	32.8	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	77%	0.765	S	S	*	*			trans	75.9	129.6	140.5	-68.2	-20.3	0	0	0	125.5
368	E	33.6	Very low	32.4	Very low	168 Å²	168	131.3 Å²	131.3	79%	0.785	77%	0.766	S	S	*	*			trans	68.6	98.7	145.5	-65.9	-167.3	138.1	0	0	122
369	S	33.8	Very low	32	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	76%	0.759	S	S	*	*				53.6	127.8	104.2	-55.6	0	0	0	0	118.8
370	A	32	Very low	31.9	Very low	101 Å²	101	133 Å²	133	84%	0.835	76%	0.758	S	S	*	*			cis	-154.2	162.3	7.1	0	0	0	0	0	110.9
371	Q	32.1	Very low	31.7	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	76%	0.758	S	S	*	*			trans	-88	140.3	-172.3	-64.2	177.3	-72.1	0	0	113.7
372	N	26.4	Very low	31.7	Very low	133 Å²	133	134.4 Å²	134.4	71%	0.711	76%	0.759	S	S	*	*			trans	-98.1	157	159.9	-113.1	33.9	0	0	0	109.6
373	E	30.8	Very low	31.6	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	75%	0.752	S	S	*	*			trans	65	120	154.1	-71.9	156.8	-119.5	0	0	117.5
374	S	30.3	Very low	31.7	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	74%	0.742	S	S	*	*				97.8	135.3	60.8	-179	0	0	0	0	111.9
375	T	30.6	Very low	31.2	Very low	124 Å²	124	133 Å²	133	76%	0.761	74%	0.738	S	S	*	*			trans	177.5	145.5	137.9	20.9	0	0	0	0	116.6
376	L	30.9	Very low	31	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	74%	0.739	S	S	*	*			trans	69.5	133.7	151.9	-60.2	159.2	0	0	0	118.9
377	S	30.7	Very low	31.2	Very low	91 Å²	91	135.5 Å²	135.5	64%	0.636	74%	0.74	S	S	*	*			cis	94	149.1	35.3	-56	0	0	0	0	114
378	A	30.3	Very low	31.1	Very low	72 Å²	72	135.2 Å²	135.2	60%	0.595	74%	0.738	S	S	*	*			cis	-153.3	150.8	18.3	0	0	0	0	0	116.5	M869	A378-M869 WeakPolarHBondContact CA-SD 3.37Å
379	E	30.4	Very low	31.2	Very low	150 Å²	150	133.5 Å²	133.5	70%	0.701	73%	0.733	S	S	*	*			trans	46	164.6	135.3	-63	-174.5	152.4	0	0	127.3	M869	E379-M869 PolarHBondContact N-SD 3.42Å
380	V	31.5	Very low	31.2	Very low	107 Å²	107	136.9 Å²	136.9	65%	0.648	74%	0.737	S	S	*	*			trans	133.3	144.2	149.2	175.9	0	0	0	0	115.8	K870	V380-K870 PolarHBondContact O-NZ 2.68Å
381	E	30.4	Very low	31.1	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	74%	0.737	S	S	*	*			trans	-122.1	-154.6	-163.4	-51.8	-179.8	107	0	0	115
382	I	31.7	Very low	31.2	Very low	161 Å²	161	136.4 Å²	136.4	83%	0.826	73%	0.733	S	S	*	*			trans	98.5	143.4	166.2	-56.1	160.8	0	0	0	116.3
383	E	30.6	Very low	31.3	Very low	142 Å²	142	139.1 Å²	139.1	66%	0.664	74%	0.742	S	S	*	*			cis	-171.1	160.1	-46	-140.5	-158	154.8	0	0	111.5
384	K	32	Very low	31.3	Very low	149 Å²	149	139.3 Å²	139.3	65%	0.648	75%	0.746	S	S	*	*			trans	75.1	129.3	151.8	-80.1	-174.9	172.5	65.1	0	125.7
385	C	27.5	Very low	31.3	Very low	93 Å²	93	144.3 Å²	144.3	63%	0.628	76%	0.755	S	S	*	*				67.6	152.1	129.7	-58.4	0	0	0	0	122.2
386	D	31.7	Very low	31.3	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	76%	0.761	S	S	*	*			cis	-168.4	170.3	-19.1	-99.5	-24.7	0	0	0	111.9
387	E	34.8	Very low	31.4	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	76%	0.759	S	S	*	*			trans	72.6	118.3	150.8	-79.3	173.2	178.7	0	0	124.7
388	D	31	Very low	31.4	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	77%	0.771	S	S	*	*				98.1	139.3	119.4	-89.2	14.2	0	0	0	129.4
389	I	35.7	Very low	31.4	Very low	133 Å²	133	147.7 Å²	147.7	68%	0.682	78%	0.783	S	S	*	*			trans	97.3	108.6	139.8	-75.7	162.4	0	0	0	124.5
390	E	33.8	Very low	31.4	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	79%	0.79	S	S	*	*			trans	65.3	154.8	137.1	-60.7	-169.5	138.6	0	0	127.1
391	N	30.1	Very low	31	Very low	158 Å²	158	144.8 Å²	144.8	85%	0.845	80%	0.796	S	S	*	*			trans	-127	157.7	179	-97.9	-49.1	0	0	0	110.4
392	P	33.2	Very low	30.8	Very low	129 Å²	129	143.6 Å²	143.6	84%	0.838	80%	0.801	S	S	*	*			trans	-148.2	163.1	133.4	35.6	-18.8	0	0	0	117.3
393	Q	28.7	Very low	30.4	Very low	190 Å²	190	140.2 Å²	140.2	89%	0.888	80%	0.797	S	S	*	*			trans	-104.2	149.3	174.1	-61.1	175.2	-23.2	0	0	112.9
394	I	30.8	Very low	30.4	Very low	173 Å²	173	140.7 Å²	140.7	89%	0.887	80%	0.803	S	S	*	*			trans	-137.6	160.3	163.7	-62.3	-172.9	0	0	0	111.8
395	K	31.8	Very low	30.2	Very low	206 Å²	206	142 Å²	142	90%	0.896	81%	0.811	S	S	*	*			trans	-92.8	-178.2	-155.9	-62.1	169.6	178.4	173.1	0	117
396	S	30.8	Very low	30.3	Very low	126 Å²	126	142.2 Å²	142.2	88%	0.881	81%	0.814	S	S	*	*			trans	-95.7	168	-172.4	56.3	0	0	0	0	117.6
397	G	32.4	Very low	30.4	Very low	73 Å²	73	143.9 Å²	143.9	75%	0.753	82%	0.817	S	S	*	*			trans	173.7	169.8	159.5	0	0	0	0	0	109.9
398	E	30.9	Very low	30	Very low	188 Å²	188	143.1 Å²	143.1	88%	0.879	82%	0.819	S	S	*	*			cis	-171.4	166.4	-20.5	-149.2	178.2	-173.5	0	0	108.2
399	S	29.7	Very low	29.8	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	82%	0.82	S	S	*	*			trans	65.5	163.1	178.2	-77	0	0	0	0	115.9
400	A	29.6	Very low	29.1	Very low	102 Å²	102	142.6 Å²	142.6	84%	0.843	83%	0.826	S	S	*	*			cis	-150.9	-165.8	-13.4	0	0	0	0	0	109.2
401	A	23.6	Very low	28.7	Very low	95 Å²	95	139.6 Å²	139.6	79%	0.785	82%	0.82	S	S	*	*			trans	-148.9	156.5	-176.7	0	0	0	0	0	114.8
402	T	27.1	Very low	28.3	Very low	151 Å²	151	137.7 Å²	137.7	93%	0.926	81%	0.814	S	S	*	*			trans	-155.3	157.1	146.3	7.9	0	0	0	0	110
403	A	23.4	Very low	27.9	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	81%	0.812	S	S	*	*			trans	-140.2	167.2	-176	0	0	0	0	0	111.3
404	I	29.2	Very low	27.9	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	81%	0.807	S	S	*	*			trans	-171	123.4	147.6	-96.6	147.5	0	0	0	108.7
405	E	29.3	Very low	27.6	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	81%	0.805	S	S	*	*			trans	29.9	144.6	135.9	-47.7	174.6	160.3	0	0	119.9
406	S	29.8	Very low	27.2	Very low	97 Å²	97	135 Å²	135	68%	0.678	80%	0.801	S	S	*	*			cis	-161.7	156.8	18.5	49.9	0	0	0	0	113.7
407	E	31.7	Very low	26.9	Very low	169 Å²	169	138 Å²	138	79%	0.79	80%	0.801	S	S	*	*			trans	61.9	107.8	157.9	-66.8	167.1	-162.4	0	0	116.7
408	D	26.7	Very low	26.5	Very low	154 Å²	154	140 Å²	140	82%	0.824	80%	0.802	S	S	*	*				60.4	133	72.9	-66.6	-44.8	0	0	0	112.9
409	V	26.8	Very low	26.1	Very low	125 Å²	125	139 Å²	139	76%	0.758	80%	0.802	S	S	*	*			cis	-145.4	148.9	42.1	170.7	0	0	0	0	112.5	V411	V409-V411 HydrophobicContact CG1-CG2 3.96Å
410	V	21.8	Very low	25.9	Very low	134 Å²	134	138.7 Å²	138.7	81%	0.812	79%	0.794	S	S	*	*			trans	-94.5	134	167.1	176	0	0	0	0	111.2
411	V	25	Very low	25.6	Very low	120 Å²	120	141.4 Å²	141.4	73%	0.727	80%	0.795	S	S	*	*			trans	-134.8	133.6	167.8	-174.5	0	0	0	0	111.1	V409	V409-V411 HydrophobicContact CG1-CG2 3.96Å
412	T	22.9	Very low	25.8	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.724	79%	0.793	S	S	*	*			trans	-89.6	138	177.7	51.4	0	0	0	0	112.2
413	F	25	Very low	25.7	Very low	184 Å²	184	142.7 Å²	142.7	81%	0.807	79%	0.788	S	S	*	*			trans	-86.1	128.3	171.9	-80.2	-91.2	0	0	0	112.6
414	T	26.6	Very low	25.7	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	79%	0.786	S	S	*	*			trans	-108.6	154.6	159.4	50.5	0	0	0	0	109.5
415	Q	24.8	Very low	25.5	Very low	183 Å²	183	140.8 Å²	140.8	86%	0.855	77%	0.772	S	S	*	*	S	Bend	trans	-62.6	148.5	-173.5	-69.2	173.3	-23.2	0	0	113.6
416	N	23.6	Very low	25.4	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	77%	0.772	S	S	*	*	S	Bend	trans	85.9	117.1	175.8	-49.9	-26.4	0	0	0	116.5
417	E	24.5	Very low	25.1	Very low	190 Å²	190	140.6 Å²	140.6	89%	0.888	77%	0.773	S	S	*	*			trans	58.8	104.2	159.5	-60.3	-178.1	-174.6	0	0	119
418	C	23.8	Very low	24.9	Very low	113 Å²	113	137 Å²	137	76%	0.764	77%	0.773	S	S	*	*			trans	-148.3	135.7	151.9	-95.9	0	0	0	0	111.5
419	L	22.4	Very low	24.8	Very low	169 Å²	169	135.1 Å²	135.1	89%	0.885	77%	0.771	S	S	*	*			trans	-83	155.1	154.8	-69	96.8	0	0	0	108.8
420	V	26.8	Very low	24.8	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.685	77%	0.774	S	S	*	*			trans	-131.5	106.6	168.9	-176.1	0	0	0	0	108.9	I422	V420-I422 HydrophobicContact CG1-CD1 4.46Å; V420-I422 HydrophobicContact CG1-CG1 4.07Å
421	D	22.8	Very low	25	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	77%	0.771	S	S	*	*			trans	-74.4	137	163.6	-79.7	-54.7	0	0	0	109.6
422	I	27.7	Very low	25.1	Very low	148 Å²	148	136.5 Å²	136.5	76%	0.759	78%	0.777	S	S	*	*			trans	-125.7	128.9	166.6	-61	-174.6	0	0	0	107.7	V420	V420-I422 HydrophobicContact CG1-CD1 4.46Å; V420-I422 HydrophobicContact CG1-CG1 4.07Å
423	P	25.6	Very low	25.2	Very low	125 Å²	125	139.6 Å²	139.6	81%	0.812	78%	0.784	S	S	*	*			trans	-81.2	154.9	-162.4	32	-36.9	0	0	0	113.9
424	S	23.1	Very low	25.6	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	78%	0.778	S	S	*	*			trans	-98.4	166.4	171.7	55.3	0	0	0	0	112.4
425	Q	24.2	Very low	25.8	Very low	101 Å²	101	138 Å²	138	47%	0.472	78%	0.779	S	S	.	*			trans	86.1	100.8	168.4	-55.1	173.9	-12.1	0	0	118.8	Y726	Q425-Y726 HydrophobicContact CB-CD1 4.36Å; Q425-Y726 HydrophobicContact CB-CE1 3.58Å; Q425-Y726 HydrophobicContact CG-CE1 4.08Å
426	V	28.6	Very low	25.9	Very low	138 Å²	138	134.4 Å²	134.4	84%	0.836	77%	0.766	S	S	*	*			trans	-140	129.3	135.3	-175.7	0	0	0	0	108.8
427	N	23.3	Very low	26.1	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	76%	0.756	S	S	*	*			trans	-110.7	139.4	168.7	-84.6	-1.9	0	0	0	110.4	Y726	N427-Y726 PolarHBondContact N-OH 3.38Å
428	A	27.1	Very low	26.3	Very low	94 Å²	94	129 Å²	129	78%	0.777	75%	0.746	S	S	*	*			trans	-152.4	136	159.2	0	0	0	0	0	110.3
429	S	23.6	Very low	26.6	Very low	113 Å²	113	131 Å²	131	79%	0.79	74%	0.744	S	S	*	*			trans	-148	96.9	-176.5	-51.2	0	0	0	0	112
430	T	28.2	Very low	26.8	Very low	134 Å²	134	128 Å²	128	82%	0.822	73%	0.733	S	S	*	*			trans	-172.7	149.2	175.4	28.9	0	0	0	0	108.4
431	C	25.1	Very low	26.8	Very low	111 Å²	111	128.8 Å²	128.8	75%	0.75	74%	0.738	S	S	*	*			cis	-170.9	177.5	-22	-135.7	0	0	0	0	108.4
432	L	28	Very low	26.9	Very low	163 Å²	163	126.3 Å²	126.3	85%	0.853	73%	0.729	S	S	*	*			trans	77.7	120.5	168.4	-45.6	-178.2	0	0	0	118.9
433	Q	24.9	Very low	26.9	Very low	184 Å²	184	125 Å²	125	86%	0.86	73%	0.733	S	S	*	*			trans	-110.2	-156.7	146.9	-45.7	179.3	-43.1	0	0	106.9
434	P	33	Very low	27.1	Very low	106 Å²	106	123.6 Å²	123.6	69%	0.688	73%	0.726	S	S	*	*			cis	-130	172.7	-28.2	35.2	-18.9	0	0	0	113.3
435	E	30.4	Very low	27.4	Very low	168 Å²	168	124.9 Å²	124.9	79%	0.785	73%	0.73	S	S	*	*				171.9	166.4	126.1	-92.9	-150.6	103.7	0	0	111.2
436	N	26.4	Very low	27.6	Very low	108 Å²	108	127.1 Å²	127.1	58%	0.578	74%	0.744	S	S	*	*			cis	168.7	165.5	-32.1	-179.2	25.8	0	0	0	109.7
437	V	28.7	Very low	27.8	Very low	98 Å²	98	127.7 Å²	127.7	59%	0.594	74%	0.737	S	S	*	*			trans	88.9	113.9	157.3	-168.3	0	0	0	0	121
438	D	29.5	Very low	28.1	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	74%	0.736	S	S	*	*			trans	65.5	155.9	144.6	-67.2	-6.8	0	0	0	123.7
439	Q	29.3	Very low	28.2	Very low	154 Å²	154	131.1 Å²	131.1	72%	0.72	74%	0.737	S	S	*	*			cis	-171.7	144	-34	-115.8	-178.9	68.5	0	0	111.7
440	V	26.1	Very low	28.6	Very low	106 Å²	106	134 Å²	134	64%	0.642	74%	0.742	S	S	*	*			trans	32.9	121.1	140.7	-178.2	0	0	0	0	121.6	T442	V440-T442 HydrophobicContact CG1-CG2 4.47Å
441	T	28	Very low	28.6	Very low	130 Å²	130	131.4 Å²	131.4	80%	0.798	73%	0.734	S	S	*	*				178.4	125.6	124.4	22.8	0	0	0	0	108.4
442	T	25.1	Very low	28.7	Very low	108 Å²	108	131 Å²	131	66%	0.663	74%	0.739	S	S	*	*			cis	69.8	90.8	39	74.3	0	0	0	0	116.3	V440	V440-T442 HydrophobicContact CG1-CG2 4.47Å
443	S	27.1	Very low	28.7	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	73%	0.734	S	S	*	*			trans	178.4	152	154.3	-81.9	0	0	0	0	109
444	S	30	Very low	29.1	Very low	95 Å²	95	125.5 Å²	125.5	66%	0.664	73%	0.727	S	S	*	*			cis	-162.9	127.3	-7.4	43	0	0	0	0	108.1
445	V	28.6	Very low	28.9	Very low	129 Å²	129	128.5 Å²	128.5	78%	0.782	73%	0.732	S	S	*	*				56.3	101.9	99.7	-175.8	0	0	0	0	114.8
446	L	28.9	Very low	28.9	Very low	148 Å²	148	127.7 Å²	127.7	78%	0.775	73%	0.728	S	S	*	*			trans	-149.8	137.4	145.4	-103.1	106.2	0	0	0	105.5
447	E	32.3	Very low	29.1	Very low	149 Å²	149	128.1 Å²	128.1	70%	0.696	73%	0.728	S	S	*	*			cis	-154.9	138.1	-10.6	-137.5	164.6	-141.9	0	0	109.6
448	D	30.9	Very low	29.5	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	74%	0.736	S	S	*	*			trans	34.8	114.3	147.3	-60.4	5.5	0	0	0	120.6
449	E	28	Very low	29.4	Very low	172 Å²	172	133 Å²	133	80%	0.804	74%	0.738	S	S	*	*				64.7	84.4	90.7	-69.3	-156	139.2	0	0	116.9
450	I	31.7	Very low	29.4	Very low	175 Å²	175	129.3 Å²	129.3	90%	0.897	73%	0.734	S	S	*	*			trans	-133.5	86.8	138.9	-54.1	-178.5	0	0	0	107.2
451	A	28.2	Very low	29.6	Very low	78 Å²	78	132.2 Å²	132.2	65%	0.645	74%	0.74	S	S	*	*				83.8	94.1	54.5	0	0	0	0	0	114.6
452	A	27.1	Very low	29.5	Very low	104 Å²	104	130.3 Å²	130.3	86%	0.86	73%	0.732	S	S	*	*			trans	71.9	168.3	146.4	0	0	0	0	0	120.7
453	A	27.8	Very low	29.9	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	73%	0.733	S	S	*	*			trans	69.2	141.6	175	0	0	0	0	0	117.3
454	I	33.7	Very low	29.9	Very low	141 Å²	141	130.9 Å²	130.9	72%	0.723	73%	0.726	S	S	*	*			cis	-149.6	124.8	-14.2	-111.5	160.5	0	0	0	103.6
455	E	29.4	Very low	30	Very low	168 Å²	168	134.3 Å²	134.3	79%	0.785	73%	0.731	S	S	*	*				68.2	145.5	75.3	-151.5	178.3	-155.4	0	0	113.8
456	E	29.6	Very low	29.9	Very low	151 Å²	151	135.5 Å²	135.5	71%	0.706	73%	0.733	S	S	*	*			trans	73.8	149.6	169.2	-55.7	-153	112.4	0	0	121.4
457	M	31	Very low	30	Very low	118 Å²	118	136.7 Å²	136.7	58%	0.581	74%	0.735	S	S	*	*			trans	58.4	118.9	147.5	-76.2	-175	-59.9	0	0	120.2
458	Y	36.4	Very low	29.9	Very low	194 Å²	194	136 Å²	136	76%	0.761	73%	0.731	S	S	*	*			cis	-135.1	135.5	0.2	-87.5	-96.6	0	0	0	108.9
459	N	28.5	Very low	30	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	74%	0.735	S	S	*	*				62.2	128.4	63.4	-87.2	-38.8	0	0	0	115.3
460	A	29	Very low	30.1	Very low	76 Å²	76	135.3 Å²	135.3	63%	0.628	73%	0.727	S	S	*	*			trans	66.5	143.6	161.4	0	0	0	0	0	117.1
461	H	30.3	Very low	30	Very low	166 Å²	166	132.2 Å²	132.2	77%	0.769	72%	0.72	S	S	*	*			cis	-141.5	143.1	-3.3	-82.7	-61.7	0	0	0	106.6
462	S	26.3	Very low	30.1	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	73%	0.725	S	S	*	*			cis	68.8	149.7	43.2	88.8	0	0	0	0	114.1
463	P	33.1	Very low	30.3	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	73%	0.725	S	S	*	*				-124.1	-129.7	-78.3	30	-10.2	0	0	0	109.4
464	I	28.2	Very low	30.5	Very low	135 Å²	135	140.7 Å²	140.7	69%	0.692	73%	0.726	S	S	*	*			trans	75.4	147.2	164.6	-58	159.9	0	0	0	113.4
465	E	30.8	Very low	30.4	Very low	168 Å²	168	137 Å²	137	79%	0.785	72%	0.717	S	S	*	*			cis	-129.7	137.3	4.3	-130.8	123.1	-140.8	0	0	106.9
466	N	26.4	Very low	30.5	Very low	153 Å²	153	136 Å²	136	82%	0.818	72%	0.717	S	S	*	*				45.4	93.6	67.4	-91.6	-5.6	0	0	0	115.5
467	E	31.7	Very low	30.7	Very low	174 Å²	174	135.8 Å²	135.8	81%	0.813	72%	0.721	S	S	*	*			trans	179.4	146.8	147.5	-84.9	-130.4	148.2	0	0	107.9
468	H	30	Very low	30.8	Very low	135 Å²	135	137.8 Å²	137.8	63%	0.625	73%	0.732	S	S	*	*			cis	-167	-179.9	-28.8	-127.1	-40.2	0	0	0	107.3
469	Q	33.1	Very low	30.6	Very low	163 Å²	163	133.4 Å²	133.4	76%	0.762	73%	0.728	S	S	*	*			trans	64.1	102.9	167	-67.3	157.4	57.7	0	0	116.3
470	I	29.2	Very low	30.7	Very low	121 Å²	121	131.9 Å²	131.9	62%	0.621	73%	0.728	S	S	*	*			cis	66.8	108.8	49.4	-45.8	157.4	0	0	0	112.8
471	S	30.9	Very low	30.7	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	73%	0.728	S	S	*	*			trans	168.2	106.6	130.2	-70.5	0	0	0	0	106.7
472	E	29.7	Very low	30.7	Very low	160 Å²	160	133.3 Å²	133.3	75%	0.748	73%	0.728	S	S	*	*				57.3	101.2	63.9	-57.9	-169.3	111.9	0	0	113.7
473	L	32.1	Very low	31	Very low	163 Å²	163	134.6 Å²	134.6	85%	0.853	74%	0.737	S	S	*	*				-150.8	115	123.8	-88.1	131	0	0	0	105.3
474	V	30.9	Very low	30.8	Very low	127 Å²	127	134.7 Å²	134.7	77%	0.77	74%	0.74	S	S	*	*				74.8	132	72.9	162.9	0	0	0	0	111.8
475	A	31.7	Very low	30.8	Very low	65 Å²	65	131.7 Å²	131.7	54%	0.537	74%	0.736	S	S	.	*			cis	-171.7	175.6	-20.1	0	0	0	0	0	107.7
476	N	31.4	Very low	30.8	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	74%	0.735	S	S	*	*			trans	68.3	147.2	155.9	-55.8	-13.7	0	0	0	116.5
477	D	34.4	Very low	31.1	Very low	146 Å²	146	132 Å²	132	78%	0.781	73%	0.734	S	S	*	*			cis	-128.1	146.7	4.9	-84.1	-60.4	0	0	0	112.8
478	I	32.8	Very low	31	Very low	161 Å²	161	131.3 Å²	131.3	83%	0.826	74%	0.735	S	S	*	*			trans	-113	130.8	159.3	-70.9	170.5	0	0	0	103.4
479	P	32.5	Very low	31.2	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	74%	0.738	S	S	*	*				-162.7	-173.2	90.1	43.3	-22	0	0	0	118.1
480	S	29.4	Very low	30.9	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	74%	0.736	S	S	*	*			trans	82.9	146	141.3	-71	0	0	0	0	119
481	V	30.6	Very low	30.8	Very low	105 Å²	105	132 Å²	132	64%	0.636	74%	0.737	S	S	*	*			cis	-159	140.6	-6.4	115.6	0	0	0	0	111.3
482	E	29.2	Very low	30.7	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	74%	0.741	S	S	*	*			trans	38.6	157.6	146.6	-51.9	165	178.3	0	0	124.8
483	S	31.9	Very low	31	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	74%	0.744	S	S	*	*			trans	78.8	132.8	136.9	-169.6	0	0	0	0	119
484	S	30.1	Very low	30.9	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	74%	0.738	S	S	*	*			cis	-161	174	-16.1	-172.7	0	0	0	0	109.6
485	A	28.6	Very low	30.6	Very low	73 Å²	73	131.2 Å²	131.2	60%	0.603	74%	0.737	S	S	*	*			trans	-70.1	158	171.1	0	0	0	0	0	112.4
486	H	29.6	Very low	30.5	Very low	163 Å²	163	132.9 Å²	132.9	76%	0.755	75%	0.751	S	S	*	*				167.2	136.6	111.7	-95.2	-74.1	0	0	0	114.9
487	M	32.4	Very low	30.3	Very low	163 Å²	163	129.8 Å²	129.8	80%	0.803	75%	0.746	S	S	*	*			trans	73.3	123.9	142.7	-56	-87.4	67.5	0	0	121.6
488	L	30.4	Very low	30.3	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	75%	0.746	S	S	*	*			trans	-65.9	178	148.6	-50.8	164.8	0	0	0	109.9
489	P	34	Very low	30.1	Very low	105 Å²	105	126 Å²	126	68%	0.682	74%	0.737	S	S	*	*			cis	-142.3	-166.4	4.9	45.2	-26.9	0	0	0	115.3
490	R	26.8	Very low	29.9	Very low	194 Å²	194	129.3 Å²	129.3	73%	0.732	74%	0.744	S	S	*	*			trans	76.1	151.9	149.6	-76	173.6	102.3	121.8	15.7	120.4
491	E	26.4	Very low	30	Very low	134 Å²	134	128.5 Å²	128.5	63%	0.626	74%	0.736	S	S	*	*			trans	28.6	128.5	142.8	-64.6	146.6	-179.1	0	0	117.2
492	E	30.1	Very low	29.8	Very low	181 Å²	181	131.7 Å²	131.7	85%	0.846	74%	0.744	S	S	*	*				-163.7	162.8	51.5	-132.5	159.9	-149.4	0	0	112.2
493	I	36.7	Very low	29.7	Very low	158 Å²	158	128 Å²	128	81%	0.81	74%	0.743	S	S	*	*			trans	-101.1	124.2	168.8	-61.3	171.9	0	0	0	109.5
494	P	29.4	Very low	29.7	Very low	112 Å²	112	129.9 Å²	129.9	73%	0.727	74%	0.741	S	S	*	*			trans	-124.7	132.9	134.3	4.6	16.8	0	0	0	110.1
495	A	25.3	Very low	29.6	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	75%	0.745	S	S	*	*			cis	68.9	78.8	43.4	0	0	0	0	0	114.1
496	A	29.8	Very low	29.8	Very low	101 Å²	101	132.9 Å²	132.9	84%	0.835	75%	0.75	S	S	*	*			trans	-158.2	126.9	151.7	0	0	0	0	0	110.6
497	A	27.2	Very low	29.8	Very low	80 Å²	80	133 Å²	133	66%	0.661	75%	0.751	S	S	*	*			trans	-84.6	166.6	161.7	0	0	0	0	0	109.7	V499	A497-V499 HydrophobicContact CB-CG2 3.97Å
498	P	33	Very low	29.7	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	74%	0.744	S	S	*	*				-124.7	145.4	93.1	37.8	-32.9	0	0	0	112.4
499	V	28.1	Very low	29.7	Very low	106 Å²	106	129.5 Å²	129.5	64%	0.642	74%	0.736	S	S	*	*			cis	69.9	84.4	47.4	178.9	0	0	0	0	109	A497	A497-V499 HydrophobicContact CB-CG2 3.97Å
500	E	30.2	Very low	29.8	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	74%	0.735	S	S	*	*				103.7	170.1	96.5	-96.1	-177.6	-175.9	0	0	110.9
501	P	29.8	Very low	30	Very low	87 Å²	87	127.4 Å²	127.4	57%	0.565	73%	0.733	S	S	*	*			cis	-134	-162.3	-22.9	32	-10.6	0	0	0	112.5
502	E	27.5	Very low	30.3	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	74%	0.739	S	S	*	*			trans	64.6	110.9	145.1	-79.7	158	-163.5	0	0	119.4
503	A	26.3	Very low	30.4	Very low	90 Å²	90	128 Å²	128	74%	0.744	74%	0.735	S	S	*	*				88.1	153.8	81.9	0	0	0	0	0	111.9
504	I	31.6	Very low	30.2	Very low	156 Å²	156	126.5 Å²	126.5	80%	0.8	73%	0.734	S	S	*	*			cis	-142.5	155.1	31.5	-69.5	166.6	0	0	0	110.7
505	V	28.7	Very low	30.3	Very low	136 Å²	136	126.7 Å²	126.7	82%	0.824	74%	0.738	S	S	*	*			trans	-128.1	127.6	168.4	171.9	0	0	0	0	105.7
506	P	32	Very low	30.5	Very low	107 Å²	107	126.3 Å²	126.3	70%	0.695	74%	0.735	S	S	*	*				-132.3	-152.6	66.7	25	1.7	0	0	0	111.7
507	E	31.2	Very low	30.4	Very low	166 Å²	166	130.1 Å²	130.1	78%	0.776	74%	0.735	S	S	*	*			cis	-150.8	122.4	21.6	-72.4	-174.6	89.2	0	0	115.8
508	S	28.5	Very low	30.4	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	74%	0.741	S	S	*	*				77.8	150.7	126.7	84.4	0	0	0	0	123.3
509	K	32.3	Very low	30.1	Very low	155 Å²	155	132.3 Å²	132.3	67%	0.674	74%	0.737	S	S	*	*			trans	78.7	137.6	157	-63.3	167.1	158.7	-73.9	0	117.6
510	E	34.1	Very low	30	Very low	141 Å²	141	135.2 Å²	135.2	66%	0.659	75%	0.748	S	S	*	*			cis	-156.5	142.7	-6.6	-125.1	147.2	-169.1	0	0	109.2
511	V	31.3	Very low	29.7	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.685	74%	0.743	S	S	*	*			trans	49.4	130.5	130.4	174.9	0	0	0	0	118.4
512	E	34.2	Very low	29.4	Very low	162 Å²	162	132.6 Å²	132.6	76%	0.757	76%	0.755	S	S	*	*			cis	-152.9	167.6	29	-144.5	138.6	-131.8	0	0	113.4
513	E	32.4	Very low	29.3	Very low	165 Å²	165	129.3 Å²	129.3	77%	0.771	75%	0.752	S	S	*	*			trans	2.3	150.7	151.8	-64.1	179.5	179.6	0	0	121.2
514	T	31	Very low	29.1	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	76%	0.755	S	S	*	*			cis	-161.9	173.3	3.6	19.8	0	0	0	0	108
515	S	33	Very low	28.9	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	76%	0.761	S	S	*	*			cis	-146.7	170.9	6.9	45.6	0	0	0	0	110.6
516	A	29.1	Very low	28.6	Very low	83 Å²	83	129.6 Å²	129.6	69%	0.686	75%	0.754	S	S	*	*			trans	-116.7	142.7	-172	0	0	0	0	0	114.7
517	E	27.6	Very low	28.2	Very low	182 Å²	182	130.9 Å²	130.9	85%	0.85	76%	0.76	S	S	*	*			trans	63.9	165.6	138.6	-67.4	-176.4	124.8	0	0	123.1
518	V	27.5	Very low	27.9	Very low	130 Å²	130	127.2 Å²	127.2	79%	0.788	75%	0.752	S	S	*	*			trans	64.4	100.2	170.9	-159.3	0	0	0	0	115.7
519	V	26.2	Very low	27.8	Very low	117 Å²	117	129.1 Å²	129.1	71%	0.709	76%	0.755	S	S	*	*			cis	84.5	89.4	41.2	-171.3	0	0	0	0	115
520	I	24.5	Very low	27.5	Very low	167 Å²	167	130.4 Å²	130.4	86%	0.856	76%	0.761	S	S	*	*			trans	70.3	126.9	142	-58.2	172.6	0	0	0	120.3
521	G	24.5	Very low	27.2	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	76%	0.761	S	S	*	*			trans	104.5	145.3	161.9	0	0	0	0	0	114.6
522	V	24.3	Very low	27	Very low	135 Å²	135	129 Å²	129	82%	0.818	76%	0.758	S	S	*	*			cis	-152.3	159.1	-0.8	-170.9	0	0	0	0	108.9
523	S	24.3	Very low	26.7	Very low	105 Å²	105	129 Å²	129	73%	0.734	76%	0.758	S	S	*	*			trans	66.3	132.5	156.1	54.6	0	0	0	0	122
524	N	23.6	Very low	26.3	Very low	152 Å²	152	125.4 Å²	125.4	81%	0.813	75%	0.749	S	S	*	*			trans	15.8	159.9	138.8	-58.4	2.5	0	0	0	122.6
525	V	25.7	Very low	26.2	Very low	152 Å²	152	125.9 Å²	125.9	92%	0.921	75%	0.747	S	S	*	*			trans	86.8	147.8	177.1	-170.5	0	0	0	0	113
526	A	23.2	Very low	25.8	Very low	84 Å²	84	125.1 Å²	125.1	69%	0.694	74%	0.742	S	S	*	*			trans	-121.2	174.1	-158.1	0	0	0	0	0	113.8
527	V	24.7	Very low	25.8	Very low	134 Å²	134	126.8 Å²	126.8	81%	0.812	75%	0.748	S	S	*	*			trans	85.4	123.5	162	-177.2	0	0	0	0	117.9
528	S	24.5	Very low	25.8	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	74%	0.744	S	S	*	*			trans	85.7	114	151.4	-83.7	0	0	0	0	122.1
529	N	25.6	Very low	26.1	Very low	135 Å²	135	122.6 Å²	122.6	72%	0.722	75%	0.745	S	S	*	*				59.2	134.7	115.4	-68.6	-60.5	0	0	0	118.5
530	K	26.6	Very low	26.2	Very low	182 Å²	182	123 Å²	123	79%	0.791	74%	0.743	S	S	*	*			cis	-178.1	161.6	29.5	-137.2	178	-175.3	179.4	0	113.6
531	V	26.6	Very low	26.4	Very low	108 Å²	108	122.3 Å²	122.3	66%	0.655	74%	0.741	S	S	*	*			trans	90.3	125.6	136.1	132.4	0	0	0	0	122.9
532	N	27	Very low	26.6	Very low	117 Å²	117	122.4 Å²	122.4	63%	0.626	74%	0.742	S	S	*	*			trans	69.2	151.6	153.2	-65.4	2.9	0	0	0	119.9
533	H	29.5	Very low	26.9	Very low	162 Å²	162	122.4 Å²	122.4	75%	0.75	74%	0.742	S	S	*	*			cis	-129.4	142.3	20	-96.8	-66.8	0	0	0	113.1
534	C	24.3	Very low	27.2	Very low	88 Å²	88	125.9 Å²	125.9	60%	0.595	75%	0.747	S	S	*	*				62.7	140.2	90.7	-70.8	0	0	0	0	115
535	N	27.8	Very low	27.3	Very low	138 Å²	138	124.4 Å²	124.4	74%	0.738	75%	0.748	S	S	*	*			cis	-158.2	130.6	6.8	-94	-14.6	0	0	0	108.1
536	S	25.3	Very low	27.4	Very low	100 Å²	100	122 Å²	122	70%	0.699	74%	0.743	S	S	*	*				73.9	108.7	73.8	79.2	0	0	0	0	118.2
537	S	29.1	Very low	27.5	Very low	118 Å²	118	122.8 Å²	122.8	83%	0.825	75%	0.75	S	S	*	*			trans	174.7	120.4	133.7	59	0	0	0	0	116.8
538	A	27.5	Very low	27.6	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	75%	0.751	S	S	*	*			trans	58.5	161.2	138.9	0	0	0	0	0	121.2
539	V	32.6	Very low	27.8	Very low	132 Å²	132	125.7 Å²	125.7	80%	0.8	76%	0.76	S	S	*	*			cis	-140.6	127.4	16.7	177.9	0	0	0	0	113
540	N	29.3	Very low	27.7	Very low	126 Å²	126	125.1 Å²	125.1	67%	0.674	76%	0.761	S	S	*	*			trans	23.3	142.7	145.8	-78.6	51.8	0	0	0	127.3
541	D	29.4	Very low	27.6	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	77%	0.765	S	S	*	*			trans	69.8	128.6	137	-54.3	-23.5	0	0	0	122.3
542	G	28.5	Very low	27.4	Very low	70 Å²	70	127 Å²	127	72%	0.722	77%	0.767	S	S	*	*			trans	-162	-18	-176.3	0	0	0	0	0	118.8
543	T	29.5	Very low	27.3	Very low	134 Å²	134	131.7 Å²	131.7	82%	0.822	78%	0.776	S	S	*	*			trans	78	151.6	172.1	-15.5	0	0	0	0	118.5
544	E	31	Very low	27.2	Very low	178 Å²	178	129.2 Å²	129.2	83%	0.832	77%	0.774	S	S	*	*			trans	67.2	131.3	166.3	-54.6	-165.2	175.6	0	0	120.7
545	C	25.4	Very low	27.2	Very low	122 Å²	122	134 Å²	134	82%	0.824	78%	0.781	S	S	*	*			cis	-166.2	138.5	-37.5	-120.3	0	0	0	0	111.9
546	A	27.2	Very low	27.1	Very low	100 Å²	100	135.9 Å²	135.9	83%	0.826	78%	0.783	S	S	*	*			trans	83.2	129.5	158.2	0	0	0	0	0	122.4
547	A	27.1	Very low	27.2	Very low	101 Å²	101	139.6 Å²	139.6	84%	0.835	79%	0.794	S	S	*	*			trans	70.9	75.1	149.7	0	0	0	0	0	121.4
548	L	26.2	Very low	27.1	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	79%	0.788	S	S	*	*			trans	-65.1	159.9	135.8	-83.5	169	0	0	0	109.9
549	P	27.8	Very low	27	Very low	121 Å²	121	144.1 Å²	144.1	79%	0.786	79%	0.786	S	S	*	*			cis	-150.6	-165.7	49.4	44.4	-22.6	0	0	0	117.9
550	T	24.8	Very low	26.7	Very low	123 Å²	123	143.9 Å²	143.9	76%	0.755	78%	0.78	S	S	*	*			trans	-69.5	167.2	-173.1	53.7	0	0	0	0	117
551	R	23.1	Very low	26.8	Very low	229 Å²	229	146.5 Å²	146.5	86%	0.864	79%	0.786	S	S	*	*			trans	92.3	116.8	160	-73.1	-177.6	157.3	175.3	-5.4	120.2
552	S	23.7	Very low	26.9	Very low	101 Å²	101	144.1 Å²	144.1	71%	0.706	78%	0.781	S	S	*	*			trans	83.8	151.3	135	78.9	0	0	0	0	120.5
553	R	25.4	Very low	26.9	Very low	215 Å²	215	150.1 Å²	150.1	81%	0.811	79%	0.79	S	S	*	*			trans	75	164.9	173.3	-53.8	177.4	173.1	-167.7	-2.2	115.2
554	P	27.5	Very low	27	Very low	111 Å²	111	155.2 Å²	155.2	72%	0.721	79%	0.794	S	S	*	*			cis	-128.1	153.8	-6	19	4.9	0	0	0	117.2
555	Y	23.7	Very low	27	Very low	189 Å²	189	154.3 Å²	154.3	74%	0.741	79%	0.794	S	S	*	*			trans	11.2	140.6	141	-58.4	-75.5	0	0	0	123.5
556	K	25.8	Very low	27.2	Very low	177 Å²	177	157.8 Å²	157.8	77%	0.77	80%	0.795	S	S	*	*			trans	36.1	101.5	131.9	-60.7	-176.9	176.1	-176.3	0	117.6	R558	K556-R558 PolarHBondContact O-N 2.86Å
557	L	26.8	Very low	27.4	Very low	177 Å²	177	159 Å²	159	93%	0.927	79%	0.794	S	S	*	*			trans	-75.2	99.3	149.5	-86.5	163.7	0	0	0	109.8
558	R	26.1	Very low	27.5	Very low	184 Å²	184	164.1 Å²	164.1	69%	0.694	80%	0.798	S	S	*	*			trans	-78.3	136.6	153.2	-79.9	-171	176.7	158.6	-8.8	108.5	K556 D560	K556-R558 PolarHBondContact O-N 2.86Å; R558-D560 VanDerWaalsContact C-N 3.27Å; R558-D560 WeakPolarHBondContact CD-OD2 3.17Å; R558-D560 IonicContact NH1-OD2 3.6Å; R558-D560 PolarHBondContact O-N 3.27Å
559	V	26.9	Very low	27.9	Very low	122 Å²	122	162.3 Å²	162.3	74%	0.739	80%	0.799	S	S	*	*			trans	-90.2	65.9	166.9	-171.6	0	0	0	0	109.1	K561	V559-K561 VanDerWaalsContact C-N 3.34Å; V559-K561 HydrophobicContact CG1-CD 4.17Å; V559-K561 HydrophobicContact CG1-CG 3.98Å; V559-K561 PolarHBondContact O-N 3.33Å; V559-K561 VanDerWaalsContact O-N 3.12Å
560	D	26.1	Very low	28.1	Very low	127 Å²	127	164.8 Å²	164.8	68%	0.679	80%	0.802	S	S	*	*			trans	-79.7	80.8	169.4	-76.6	-45.2	0	0	0	109.1	R558 S562	R558-D560 VanDerWaalsContact C-N 3.27Å; R558-D560 WeakPolarHBondContact CD-OD2 3.17Å; R558-D560 IonicContact NH1-OD2 3.6Å; R558-D560 PolarHBondContact O-N 3.27Å; D560-S562 PolarHBondContact O-N 2.81Å
561	K	31.1	Very low	28.3	Very low	182 Å²	182	167.2 Å²	167.2	79%	0.791	81%	0.805	S	S	*	*			trans	-81.3	78.6	178.2	-86.1	-175.4	176.8	177	0	112.8	V559	V559-K561 VanDerWaalsContact C-N 3.34Å; V559-K561 HydrophobicContact CG1-CD 4.17Å; V559-K561 HydrophobicContact CG1-CG 3.98Å; V559-K561 PolarHBondContact O-N 3.33Å; V559-K561 VanDerWaalsContact O-N 3.12Å
562	S	30.8	Very low	28.9	Very low	102 Å²	102	162 Å²	162	71%	0.713	80%	0.8	S	S	*	*			trans	57.6	101	150.4	58.8	0	0	0	0	119.7	D560	D560-S562 PolarHBondContact O-N 2.81Å
563	E	28.5	Very low	29.1	Very low	195 Å²	195	163.9 Å²	163.9	91%	0.911	80%	0.798	S	S	*	*			trans	-61.7	141.2	152.1	-65.8	-176	109.1	0	0	111.4
564	R	32.2	Very low	29.4	Very low	241 Å²	241	161.6 Å²	161.6	91%	0.909	80%	0.802	S	S	*	*			trans	-102.7	88.5	164.7	-78.9	-170.2	175.7	-174.3	1.3	111.8
565	I	31	Very low	29.5	Very low	159 Å²	159	166.3 Å²	166.3	82%	0.815	81%	0.805	S	S	*	*			trans	28.8	110.1	145.1	-51	175.2	0	0	0	117
566	K	29.2	Very low	30	Very low	196 Å²	196	163.1 Å²	163.1	85%	0.852	81%	0.811	S	S	*	*			trans	-93.4	137.8	158.9	-69.9	-179.4	178.1	177.2	0	111.5
567	P	32.7	Very low	30	Very low	125 Å²	125	166 Å²	166	81%	0.812	82%	0.817	S	S	*	*			trans	-75.8	159.4	163.6	32.5	-33.3	0	0	0	111.7
568	K	29.1	Very low	30.2	Very low	208 Å²	208	164.1 Å²	164.1	90%	0.904	81%	0.812	S	S	*	*			trans	-112.5	145.2	179.3	-66.3	178.2	176.8	178.9	0	111.8
569	S	33.4	Very low	30.2	Very low	125 Å²	125	161.3 Å²	161.3	87%	0.874	82%	0.816	S	S	*	*			trans	-151.5	144.3	150.2	55.6	0	0	0	0	112.1
570	M	31.9	Very low	30.2	Very low	172 Å²	172	159.9 Å²	159.9	85%	0.847	82%	0.817	S	S	*	*			trans	-56.6	141.8	-165.1	-67.1	157.4	60	0	0	118.3
571	E	30.1	Very low	30.6	Very low	175 Å²	175	162.4 Å²	162.4	82%	0.818	83%	0.83	S	S	*	*				28.6	158.6	112.2	-83.2	-173.7	172	0	0	121.8
572	P	34.1	Very low	30.5	Very low	118 Å²	118	164.6 Å²	164.6	77%	0.766	83%	0.833	S	S	*	*			cis	-134.1	-175.4	21.6	37.9	-17.8	0	0	0	117.4
573	E	27.7	Very low	30.5	Very low	141 Å²	141	169.7 Å²	169.7	66%	0.659	84%	0.842	S	S	*	*			trans	-57.8	156.6	177.5	-56.4	-178.9	100.8	0	0	115.2	R575	E573-R575 IonicContact OE1-NE 3.63Å; E573-R575 IonicContact OE1-NH2 3.49Å
574	N	33.4	Very low	30.4	Very low	168 Å²	168	163.3 Å²	163.3	90%	0.898	83%	0.829	S	S	*	*				-150	149.4	125.8	-122.2	-56	0	0	0	113.5
575	R	29.2	Very low	30.2	Very low	209 Å²	209	159 Å²	159	79%	0.789	83%	0.829	S	S	*	*			trans	-115.9	135.4	-177	-67.5	173.1	175.8	170.2	-2.9	111.2	E573	E573-R575 IonicContact OE1-NE 3.63Å; E573-R575 IonicContact OE1-NH2 3.49Å
576	S	33.6	Very low	30	Very low	122 Å²	122	156.1 Å²	156.1	85%	0.853	82%	0.823	S	S	*	*			trans	-149.1	139.8	152.4	50.2	0	0	0	0	111.9
577	R	26.8	Very low	29.8	Very low	238 Å²	238	151.3 Å²	151.3	90%	0.898	82%	0.82	S	S	*	*			trans	-80.7	166.6	165.8	-64.2	168.3	170.4	159.5	-6.7	107.8
578	V	29.2	Very low	29.5	Very low	138 Å²	138	150 Å²	150	84%	0.836	81%	0.814	S	S	*	*				-170.5	156	92.2	148.1	0	0	0	0	111.3
579	T	26.6	Very low	29.4	Very low	124 Å²	124	148.2 Å²	148.2	76%	0.761	81%	0.811	S	S	*	*			trans	-64.5	134	-172.7	42.9	0	0	0	0	117.8
580	A	27.9	Very low	29.4	Very low	93 Å²	93	147.5 Å²	147.5	77%	0.769	81%	0.806	S	S	*	*				31.6	140.2	122.9	0	0	0	0	0	122.4
581	L	33.6	Very low	29.3	Very low	180 Å²	180	147.6 Å²	147.6	94%	0.942	80%	0.804	S	S	*	*			trans	-153.4	168.7	146	-114.5	166.7	0	0	0	112.6
582	R	29.6	Very low	29.4	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	80%	0.801	S	S	*	*			trans	-104.3	168.8	-167	-85.4	176.5	160.5	-179.7	-5.8	114.2
583	K	30.4	Very low	29.4	Very low	209 Å²	209	147.4 Å²	147.4	91%	0.909	80%	0.802	S	S	*	*			trans	97.3	140.4	164.1	-55.8	169.1	-179.2	-179.5	0	114
584	G	27.6	Very low	29.6	Very low	61 Å²	61	147.1 Å²	147.1	63%	0.629	81%	0.81	S	S	*	*			cis	132.7	148.9	-7.3	0	0	0	0	0	113.6
585	T	26.7	Very low	29.5	Very low	149 Å²	149	145.2 Å²	145.2	91%	0.914	80%	0.799	S	S	*	*			trans	61.7	149.9	176.9	46	0	0	0	0	116.2
586	S	26.3	Very low	29.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	80%	0.802	S	S	*	*			cis	-178.3	153.9	-14.4	49.3	0	0	0	0	110.2
587	A	25.9	Very low	29.5	Very low	96 Å²	96	143.2 Å²	143.2	79%	0.793	80%	0.803	S	S	*	*			trans	65.8	159.5	158.4	0	0	0	0	0	117.2
588	S	25.8	Very low	29.8	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	80%	0.8	S	S	*	*			cis	-173.7	151.3	-18.8	50.5	0	0	0	0	111.5
589	M	27.5	Very low	29.9	Very low	170 Å²	170	135 Å²	135	84%	0.837	79%	0.793	S	S	*	*			trans	67.5	163.7	165.1	-58.3	172.2	75.7	0	0	115.5
590	S	32.6	Very low	30.2	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	80%	0.802	S	S	*	*			cis	-143.4	172.2	11.5	55.7	0	0	0	0	114.6
591	H	31.1	Very low	30.2	Very low	175 Å²	175	134.5 Å²	134.5	81%	0.81	80%	0.801	S	S	*	*			trans	-75.5	150.1	-170.4	-50.4	-104.1	0	0	0	117.9
592	S	31.9	Very low	30	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	80%	0.799	S	S	*	*				-176.7	126.6	124.7	50.8	0	0	0	0	109.1
593	K	34.6	Very low	30	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.787	80%	0.798	S	S	*	*				49.6	135.2	80.4	-74.8	-154.7	170.3	-153	0	113.4
594	V	31.9	Very low	29.9	Very low	135 Å²	135	132 Å²	132	82%	0.818	80%	0.798	S	S	*	*			cis	-133.3	165.8	32.3	173.8	0	0	0	0	113.1
595	D	30.7	Very low	30	Very low	127 Å²	127	140.3 Å²	140.3	68%	0.679	81%	0.811	S	S	*	*			trans	-84.5	165.1	-170.4	-41.2	-99.2	0	0	0	115.7
596	A	32.6	Very low	30	Very low	103 Å²	103	138 Å²	138	85%	0.851	80%	0.801	S	S	*	*			trans	-152.9	127	155.7	0	0	0	0	0	110.3
597	E	31.2	Very low	29.9	Very low	186 Å²	186	144.9 Å²	144.9	87%	0.869	81%	0.811	S	S	*	*			trans	-78.7	165.1	-155.3	-57.1	170.5	120.1	0	0	117.5
598	S	32.3	Very low	30	Very low	120 Å²	120	152.7 Å²	152.7	84%	0.839	82%	0.82	S	S	*	*			trans	116.2	141.1	146.7	75.3	0	0	0	0	117.3
599	A	30.5	Very low	29.9	Very low	84 Å²	84	152.5 Å²	152.5	69%	0.694	83%	0.825	S	S	*	*			cis	-160.5	160.7	-26.6	0	0	0	0	0	109.8
600	S	33.2	Very low	30	Very low	134 Å²	134	150.4 Å²	150.4	94%	0.937	82%	0.824	S	S	*	*			trans	65.3	161	-179.6	83.2	0	0	0	0	115.9
601	G	27.6	Very low	29.9	Very low	73 Å²	73	151.1 Å²	151.1	75%	0.753	82%	0.816	S	S	*	*			trans	-175.2	174.3	-179.4	0	0	0	0	0	115
602	R	29.2	Very low	29.7	Very low	240 Å²	240	152.9 Å²	152.9	91%	0.906	82%	0.816	S	S	*	*			trans	-152	144.9	170.3	-102.9	-178.7	173.4	-173.7	-2.2	110.3	Q604	R602-Q604 PolarHBondContact O-N 2.87Å
603	P	30.6	Very low	29.5	Very low	129 Å²	129	153.7 Å²	153.7	84%	0.838	81%	0.806	S	S	*	*			trans	-80.1	116.7	-176.3	30.6	-33.7	0	0	0	112.6
604	Q	28.2	Very low	29.3	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	80%	0.797	S	S	*	*			trans	-80.1	135.3	166	-84.8	-172.5	-17	0	0	111.2	R602	R602-Q604 PolarHBondContact O-N 2.87Å
605	R	28.8	Very low	29.3	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	77%	0.769	S	S	*	*			trans	-136.7	111.6	170.7	-133.2	-177.9	-170.2	-154.6	2.9	114
606	S	27.5	Very low	29.3	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	76%	0.758	S	S	*	*			trans	47	91	149.7	59.6	0	0	0	0	120.6
607	R	24.9	Very low	29.2	Very low	243 Å²	243	146 Å²	146	92%	0.917	75%	0.746	S	S	*	*				16.8	123.2	127.6	-62.3	175.7	173.4	177.3	-3.4	118.5
608	R	27.5	Very low	29.1	Very low	259 Å²	259	146.1 Å²	146.1	98%	0.977	74%	0.739	S	S	*	*				-166.5	156.3	129.6	-106.1	161.9	-168.5	-156.9	2.1	111.2
609	A	23.7	Very low	29	Very low	94 Å²	94	146.2 Å²	146.2	78%	0.777	73%	0.73	S	S	*	*			trans	-113.8	150.6	-173.1	0	0	0	0	0	112.7
610	P	30	Very low	28.9	Very low	125 Å²	125	148.9 Å²	148.9	81%	0.812	73%	0.732	S	S	*	*			trans	-88.6	156.1	176.3	34.9	-33.7	0	0	0	113.5
611	M	29.2	Very low	28.6	Very low	125 Å²	125	147.5 Å²	147.5	62%	0.616	72%	0.723	S	S	*	*			trans	-109.1	163.4	172.1	-78	-178.6	67.3	0	0	111.6	R793	M611-R793 PolarHBondContact SD-NH1 2.8Å; M611-R793 VanDerWaalsContact SD-NH1 3.37Å
612	R	28	Very low	28.7	Very low	212 Å²	212	152.7 Å²	152.7	80%	0.8	73%	0.727	S	S	*	*			trans	-71.6	162.9	-171.4	-72.1	-177	168	132.2	-1.6	116
613	F	27	Very low	28.8	Very low	125 Å²	125	149.2 Å²	149.2	55%	0.548	73%	0.726	S	S	.	*			trans	-101.2	126.2	170.9	-62.3	-117.8	0	0	0	110.9	I794 Q797	F613-I794 HydrophobicContact CD1-CG2 4.04Å; F613-Q797 HydrophobicContact CE1-CB 4.17Å; F613-Q797 HydrophobicContact CZ-CB 4.45Å
614	D	30.2	Very low	28.6	Very low	112 Å²	112	151.7 Å²	151.7	60%	0.599	73%	0.731	S	S	*	*			trans	-142.8	118.6	137.4	-38.1	-101.3	0	0	0	106.1	F790 I794	D614-F790 HydrophobicContact CB-CE1 3.81Å; D614-F790 WeakPolarHBondContact O-CD1 3Å; D614-F790 WeakPolarHBondContact O-CE1 3.31Å; D614-F790 WeakPolarHBondContact OD2-CE1 3.47Å; D614-I794 VanDerWaalsContact N-CD1 3.33Å; D614-I794 WeakPolarHBondContact O-CD1 3.25Å
615	D	32.1	Very low	28.7	Very low	41 Å²	41	147.1 Å²	147.1	22%	0.219	72%	0.721	C	S	.	*			trans	169.9	150.8	153.3	-88.9	-31	0	0	0	111.7	F791	D615-F791 HydrophobicContact CB-CB 4.43Å; D615-F791 HydrophobicContact CB-CD1 3.56Å; D615-F791 HydrophobicContact CB-CD2 4.19Å; D615-F791 HydrophobicContact CB-CE1 3.72Å; D615-F791 HydrophobicContact CB-CE2 4.32Å; D615-F791 HydrophobicContact CB-CG 3.81Å; D615-F791 HydrophobicContact CB-CZ 4.1Å; D615-F791 VanDerWaalsContact CG-CE2 3.47Å; D615-F791 WeakPolarHBondContact OD1-CD2 3.27Å; D615-F791 WeakPolarHBondContact OD1-CE2 3.46Å; D615-F791 WeakPolarHBondContact OD1-CZ 3.43Å; D615-F791 WeakPolarHBondContact OD2-CA 3.22Å; D615-F791 WeakPolarHBondContact OD2-CB 3.31Å; D615-F791 WeakPolarHBondContact OD2-CD2 3.45Å; D615-F791 WeakPolarHBondContact OD2-CG 3.39Å; D615-F791 PolarHBondContact OD2-N 3.09Å
616	Y	30.6	Very low	28.7	Very low	119 Å²	119	141.4 Å²	141.4	47%	0.467	72%	0.717	S	S	.	*			trans	78.2	118.3	-169.3	-61.1	-78	0	0	0	117.3	F791 K795	Y616-F791 HydrophobicContact CD1-CD1 4.32Å; Y616-F791 AromaticContact CD1-CE1 3.89Å; Y616-F791 HydrophobicContact CD1-CE1 3.89Å; Y616-F791 AromaticContact CD2-CD1 3.97Å; Y616-F791 HydrophobicContact CD2-CD1 3.97Å; Y616-F791 HydrophobicContact CD2-CE1 4.09Å; Y616-F791 AromaticContact CE1-CD1 3.85Å; Y616-F791 HydrophobicContact CE1-CD1 3.85Å; Y616-F791 AromaticContact CE1-CE1 3.75Å; Y616-F791 HydrophobicContact CE1-CE1 3.75Å; Y616-F791 AromaticContact CE2-CD1 3.45Å; Y616-F791 HydrophobicContact CE2-CD1 3.45Å; Y616-F791 VanDerWaalsContact CE2-CD1 3.45Å; Y616-F791 AromaticContact CE2-CE1 3.96Å; Y616-F791 HydrophobicContact CE2-CE1 3.96Å; Y616-F791 HydrophobicContact CG-CD1 4.36Å; Y616-F791 HydrophobicContact CG-CE1 4.04Å; Y616-F791 AromaticContact CZ-CD1 3.37Å; Y616-F791 AromaticContact CZ-CE1 3.78Å; Y616-K795 HydrophobicContact CE2-CB 3.65Å; Y616-K795 HydrophobicContact CE2-CD 4.31Å; Y616-K795 HydrophobicContact CE2-CG 4.09Å
617	L	30.3	Very low	28.8	Very low	113 Å²	113	144.9 Å²	144.9	59%	0.592	73%	0.726	S	S	*	*			trans	-139.2	157.8	162.8	-101.2	175.1	0	0	0	108
618	W	30.5	Very low	29	Very low	188 Å²	188	142.5 Å²	142.5	71%	0.712	73%	0.725	S	S	*	*			trans	78.8	128.2	160	-67	2.6	0	0	0	119.7
619	D	28.4	Very low	29	Very low	122 Å²	122	133.7 Å²	133.7	65%	0.652	72%	0.715	S	S	*	*			trans	57.5	143.7	136.1	-42.7	-19.8	0	0	0	118.6
620	D	28.9	Very low	29.2	Very low	140 Å²	140	139 Å²	139	75%	0.749	72%	0.715	S	S	*	*			cis	-137.5	154	27.9	-93.8	-57.4	0	0	0	111.7
621	S	26.9	Very low	29.2	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	71%	0.713	S	S	*	*				79.4	22.4	63.9	-39.8	0	0	0	0	117.5
622	E	30.4	Very low	28.9	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	71%	0.707	S	S	*	*			trans	-127.4	100.1	166.1	-71.3	-169.8	170.6	0	0	113
623	L	31.7	Very low	29	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	71%	0.712	S	S	*	*			trans	-177.4	58.1	149.6	-105.5	168.5	0	0	0	113.6
624	L	26.8	Very low	28.9	Very low	180 Å²	180	136.1 Å²	136.1	94%	0.942	72%	0.719	S	S	*	*			trans	-112.2	91	162.4	-85.7	175.9	0	0	0	110
625	S	28.8	Very low	28.7	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	73%	0.728	S	S	*	*			trans	-149.2	102.2	174.9	-66.3	0	0	0	0	112.2
626	S	28.9	Very low	28.5	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	75%	0.751	S	S	*	*			trans	48.1	95.6	142.5	-51.9	0	0	0	0	120.2
627	I	30.8	Very low	28.4	Very low	174 Å²	174	142.3 Å²	142.3	89%	0.892	76%	0.76	S	S	*	*			trans	-132	100	132.3	-57.9	-176.7	0	0	0	108.6
628	E	28.6	Very low	28.3	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	76%	0.762	S	S	*	*			trans	-87.7	147	157.5	-70.9	-179.8	99	0	0	109.1
629	G	28.4	Very low	28.2	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	76%	0.758	S	S	*	*			trans	-173.2	63.9	-174.2	0	0	0	0	0	115.2
630	R	27.3	Very low	28.3	Very low	206 Å²	206	138.9 Å²	138.9	78%	0.777	77%	0.765	S	S	*	*			trans	-67	153.4	169.2	-141.6	-177.6	164.9	158.8	-4.8	110.1	D632	R630-D632 IonicContact CZ-OD1 2.67Å; R630-D632 IonicContact NE-OD1 3Å; R630-D632 PolarHBondContact NE-OD1 3.49Å; R630-D632 IonicContact NE-OD2 3.47Å; R630-D632 PolarHBondContact NE-OD2 3Å; R630-D632 IonicContact NH2-OD1 2.68Å; R630-D632 PolarHBondContact NH2-OD1 3.31Å; R630-D632 IonicContact NH2-OD2 2.81Å
631	P	28.9	Very low	28.3	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	76%	0.763	S	S	*	*				-145.5	179.9	85.7	39.6	-22.9	0	0	0	114.8
632	D	24.5	Very low	28.4	Very low	95 Å²	95	139.8 Å²	139.8	51%	0.508	76%	0.763	S	S	.	*			trans	-91.3	141.1	-171.7	-41.9	-94.1	0	0	0	114.6	R630	R630-D632 IonicContact CZ-OD1 2.67Å; R630-D632 IonicContact NE-OD1 3Å; R630-D632 PolarHBondContact NE-OD1 3.49Å; R630-D632 IonicContact NE-OD2 3.47Å; R630-D632 PolarHBondContact NE-OD2 3Å; R630-D632 IonicContact NH2-OD1 2.68Å; R630-D632 PolarHBondContact NH2-OD1 3.31Å; R630-D632 IonicContact NH2-OD2 2.81Å
633	Y	28.7	Very low	28.2	Very low	230 Å²	230	134.5 Å²	134.5	90%	0.902	76%	0.757	S	S	*	*			trans	-159.6	118.8	143.5	-73	-68.4	0	0	0	106.3
634	A	25	Very low	28.1	Very low	83 Å²	83	138.1 Å²	138.1	69%	0.686	76%	0.759	S	S	*	*			cis	95.9	133.8	37.3	0	0	0	0	0	113.5
635	V	26.5	Very low	28.2	Very low	129 Å²	129	133.4 Å²	133.4	78%	0.782	75%	0.753	S	S	*	*			trans	71.6	132	163.9	169.8	0	0	0	0	115.3
636	E	28.7	Very low	28.2	Very low	153 Å²	153	139.7 Å²	139.7	72%	0.715	76%	0.762	S	S	*	*			cis	-169.7	168	-5	-114.3	-171.7	-107	0	0	108.3
637	N	27.3	Very low	28.1	Very low	121 Å²	121	145.6 Å²	145.6	65%	0.647	77%	0.767	S	S	*	*			cis	-164.1	169.7	-12	-153.6	-17.9	0	0	0	110.6
638	S	29.1	Very low	28	Very low	91 Å²	91	145.8 Å²	145.8	64%	0.636	76%	0.761	S	S	*	*			trans	51.4	150.5	140.1	64.6	0	0	0	0	124.6
639	S	28.5	Very low	28	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	75%	0.75	S	S	*	*			cis	174.2	146.9	-23	55.9	0	0	0	0	111.6
640	E	29	Very low	27.9	Very low	169 Å²	169	145.6 Å²	145.6	79%	0.79	75%	0.748	S	S	*	*			trans	55	156.6	134	-72.5	-170.4	115.1	0	0	123.5
641	M	29.3	Very low	28	Very low	145 Å²	145	142.7 Å²	142.7	71%	0.714	74%	0.741	S	S	*	*			cis	-165	162.6	-23.6	-132.1	-154.3	-160.4	0	0	113.2
642	T	29.3	Very low	28	Very low	119 Å²	119	142.1 Å²	142.1	73%	0.73	73%	0.731	S	S	*	*			trans	37.4	109.6	151.3	55.9	0	0	0	0	125.1
643	G	26.9	Very low	28.1	Very low	70 Å²	70	144.4 Å²	144.4	72%	0.722	74%	0.744	S	S	*	*				64.2	139.8	92.3	0	0	0	0	0	124.1
644	R	28.8	Very low	28.2	Very low	245 Å²	245	140.2 Å²	140.2	93%	0.925	74%	0.742	S	S	*	*			trans	166.5	132.6	145.6	-93.8	160.4	-163	-136.5	6.3	112.7
645	G	29.5	Very low	28.2	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	74%	0.743	S	S	*	*			trans	-179.3	51.5	176.3	0	0	0	0	0	120.9
646	R	27.6	Very low	28.2	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	74%	0.741	S	S	*	*			trans	-56.9	153.4	-178.5	-56.7	178.2	178	-166.8	-0.5	115.6
647	R	27.8	Very low	28	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	75%	0.747	S	S	*	*			trans	117.8	144.8	148.9	-69.9	165.2	-167.5	180	7.1	114.1
648	K	27.6	Very low	27.8	Very low	178 Å²	178	136.4 Å²	136.4	77%	0.774	75%	0.75	S	S	*	*			cis	-175.9	170.6	-15.8	-156.3	-176.9	-175.3	-172.1	0	108.1
649	L	29	Very low	27.6	Very low	131 Å²	131	139.5 Å²	139.5	69%	0.686	76%	0.759	S	S	*	*			trans	78.2	122.9	162.8	-64.7	165.9	0	0	0	114.7
650	N	27.4	Very low	27.6	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	77%	0.768	S	S	*	*				71.9	137	76.2	-91	10.5	0	0	0	112.4
651	K	27.8	Very low	27.4	Very low	145 Å²	145	147 Å²	147	63%	0.63	77%	0.771	S	S	*	*			cis	-172	172.5	2.6	-147.1	171.9	153.7	-76	0	109.6
652	D	29.9	Very low	27.2	Very low	104 Å²	104	146 Å²	146	56%	0.556	77%	0.773	S	S	*	*			trans	65.4	116.3	155.7	-61.3	-39.6	0	0	0	116.6
653	N	26.1	Very low	27.2	Very low	144 Å²	144	149.3 Å²	149.3	77%	0.77	78%	0.78	S	S	*	*				75.1	146	79.2	-90.1	-48.7	0	0	0	115.4
654	V	30.2	Very low	27.2	Very low	142 Å²	142	154.7 Å²	154.7	86%	0.861	78%	0.784	S	S	*	*			trans	71.6	136	177.7	-166.6	0	0	0	0	113.7
655	G	25.2	Very low	27.2	Very low	70 Å²	70	149 Å²	149	72%	0.722	78%	0.779	S	S	*	*			cis	127.8	120.7	-5.8	0	0	0	0	0	113.8
656	G	26.3	Very low	27	Very low	70 Å²	70	153.7 Å²	153.7	72%	0.722	78%	0.777	S	S	*	*			trans	103.5	109.8	160.4	0	0	0	0	0	118.3
657	N	25	Very low	27	Very low	159 Å²	159	149 Å²	149	85%	0.85	78%	0.778	S	S	*	*				55.5	147.1	124.9	-70.8	-8.6	0	0	0	123.9
658	C	24.5	Very low	26.9	Very low	106 Å²	106	143.9 Å²	143.9	72%	0.716	77%	0.769	S	S	*	*			trans	85.4	94.5	149	-71.7	0	0	0	0	121.2
659	L	24.3	Very low	26.8	Very low	156 Å²	156	148.1 Å²	148.1	82%	0.817	78%	0.78	S	S	*	*				46.9	114.4	113.7	-66.9	163.2	0	0	0	119.4
660	K	27.5	Very low	26.6	Very low	192 Å²	192	146.5 Å²	146.5	84%	0.835	78%	0.78	S	S	*	*				-178.8	113.7	115.3	-96.4	152.2	-170.8	170.4	0	116
661	R	25.5	Very low	26.6	Very low	226 Å²	226	151 Å²	151	85%	0.853	79%	0.786	S	S	*	*				61.3	130.8	121.2	-74.5	-170.6	176	-176.6	-0.7	123.1
662	V	26.1	Very low	26.5	Very low	125 Å²	125	154.4 Å²	154.4	76%	0.758	80%	0.795	S	S	*	*				80.5	137.9	128.6	166.9	0	0	0	0	114.8
663	E	27.8	Very low	26.3	Very low	187 Å²	187	153.5 Å²	153.5	87%	0.874	80%	0.802	S	S	*	*			cis	-125.6	-174.4	39.3	-75.1	-165.4	126.4	0	0	118
664	K	27.7	Very low	26.3	Very low	184 Å²	184	155.6 Å²	155.6	80%	0.8	81%	0.805	S	S	*	*			trans	-138.8	159.1	176.6	-62.3	-171.2	176.9	-163.3	0	111.1
665	P	28	Very low	26.1	Very low	126 Å²	126	160.1 Å²	160.1	82%	0.818	81%	0.806	S	S	*	*				-110	131.6	127.3	33.6	-28.2	0	0	0	109.5
666	K	26.6	Very low	26.1	Very low	178 Å²	178	161.5 Å²	161.5	77%	0.774	81%	0.81	S	S	*	*				66.6	88.3	51.2	-71.2	-175.7	177.4	167.3	0	114.4
667	C	26.4	Very low	26.1	Very low	136 Å²	136	162.4 Å²	162.4	92%	0.919	81%	0.806	S	S	*	*			trans	-122.9	149.3	131	-114.3	0	0	0	0	108.8
668	N	25.8	Very low	26.2	Very low	130 Å²	130	161.9 Å²	161.9	70%	0.695	80%	0.798	S	S	*	*			trans	-130.8	138.5	178.8	-65.2	-84.4	0	0	0	109.3
669	W	25.5	Very low	26.5	Very low	267 Å²	267	165.8 Å²	165.8	100%	1.011	81%	0.806	S	S	*	*			trans	-137.2	153.9	134.6	-87.7	-40.8	0	0	0	111.4
670	S	24.3	Very low	26.8	Very low	97 Å²	97	161.7 Å²	161.7	68%	0.678	80%	0.802	S	S	*	*			trans	-155.6	146.4	-169.3	59.7	0	0	0	0	110.6
671	R	28.3	Very low	26.7	Very low	226 Å²	226	159.8 Å²	159.8	85%	0.853	80%	0.801	S	S	*	*			trans	145.7	150.9	162.6	-83.3	152.2	-165.9	-155.5	6.1	109.5
672	R	26.7	Very low	26.8	Very low	217 Å²	217	155.9 Å²	155.9	82%	0.819	80%	0.801	S	S	*	*			cis	-168.4	107.8	-16.7	170.5	-174.8	-85.7	-170.3	-7	111
673	A	24.3	Very low	26.7	Very low	85 Å²	85	155.2 Å²	155.2	70%	0.702	80%	0.797	S	S	*	*			trans	37.8	136.6	136.2	0	0	0	0	0	124.4
674	K	26.1	Very low	26.6	Very low	189 Å²	189	153 Å²	153	82%	0.822	80%	0.796	S	S	*	*				101.2	137.6	126.9	-94.7	176.9	179.1	-178.5	0	122.1
675	R	26.7	Very low	26.4	Very low	237 Å²	237	150.1 Å²	150.1	89%	0.894	79%	0.794	S	S	*	*			trans	87.4	126.3	169.3	-55.2	169.7	-155	-121.1	6.2	113.1
676	A	25.5	Very low	26.4	Very low	98 Å²	98	148.2 Å²	148.2	81%	0.81	79%	0.79	S	S	*	*				77.1	143.8	54.9	0	0	0	0	0	112.1
677	S	25.5	Very low	26.4	Very low	90 Å²	90	148.2 Å²	148.2	63%	0.629	79%	0.792	S	S	*	*			cis	-159.6	-171.3	12.9	-156.3	0	0	0	0	112.1
678	E	28.3	Very low	26.3	Very low	147 Å²	147	148.2 Å²	148.2	69%	0.687	78%	0.782	S	S	*	*			trans	67.8	131.5	155.9	-87	96.5	-103.3	0	0	123.2
679	E	29.1	Very low	26.3	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	78%	0.781	S	S	*	*			trans	71	144.8	139.5	-64.1	175	-177.3	0	0	121.4
680	G	30.6	Very low	26.4	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	77%	0.767	S	S	*	*			cis	-155.1	174.8	7.7	0	0	0	0	0	115.6
681	N	25.1	Very low	26.4	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	77%	0.767	S	S	*	*			trans	-89.8	155.6	-168.6	-36.9	-87.8	0	0	0	114.4
682	V	28.7	Very low	26.2	Very low	143 Å²	143	139.2 Å²	139.2	87%	0.867	77%	0.765	S	S	*	*			trans	-139.8	143.7	134.2	-179.5	0	0	0	0	109.2
683	V	22.8	Very low	26.3	Very low	111 Å²	111	132.7 Å²	132.7	67%	0.673	75%	0.753	S	S	*	*			trans	-130.3	139.1	179.2	172.1	0	0	0	0	109.6	T685	V683-T685 HydrophobicContact CG1-CG2 4.13Å
684	V	26.7	Very low	26.4	Very low	141 Å²	141	137.8 Å²	137.8	86%	0.855	76%	0.76	S	S	*	*			trans	-141.8	140.6	157.5	-175	0	0	0	0	109.7
685	T	24.3	Very low	26.5	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	75%	0.754	S	S	*	*			trans	-141.2	141	-174.5	51.6	0	0	0	0	111.7	V683	V683-T685 HydrophobicContact CG1-CG2 4.13Å
686	A	26.5	Very low	26.4	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	75%	0.751	S	S	*	*			trans	-175.3	122.6	153.3	0	0	0	0	0	108.6
687	E	26.3	Very low	26.6	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	75%	0.753	S	S	*	*				62.3	133.4	90.2	-58.2	-175.1	159.2	0	0	113.8
688	L	24.6	Very low	26.7	Very low	136 Å²	136	136.7 Å²	136.7	71%	0.712	76%	0.762	S	S	*	*				-157.9	149.7	52.2	-110.9	95.2	0	0	0	113.9
689	H	26.9	Very low	26.5	Very low	143 Å²	143	137.1 Å²	137.1	66%	0.662	77%	0.769	S	S	*	*			trans	37	149.2	133.8	-65.8	-6.9	0	0	0	124
690	Q	26.5	Very low	26.5	Very low	153 Å²	153	134.7 Å²	134.7	72%	0.715	77%	0.767	S	S	*	*			cis	-169.7	-176.6	-9.2	-119	172.3	2.2	0	0	111.6
691	C	24.4	Very low	26.2	Very low	103 Å²	103	139.8 Å²	139.8	70%	0.696	77%	0.772	S	S	*	*			trans	72.7	109.4	172	-56.2	0	0	0	0	115.1
692	T	25.4	Very low	26.5	Very low	132 Å²	132	137.3 Å²	137.3	81%	0.81	76%	0.764	S	S	*	*			cis	67.8	143.7	40.6	88.2	0	0	0	0	113.4
693	S	27.2	Very low	26.4	Very low	80 Å²	80	138.5 Å²	138.5	56%	0.559	77%	0.766	S	S	*	*			cis	-164.3	161.1	22.6	57.1	0	0	0	0	115
694	F	26.9	Very low	26.7	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.842	77%	0.774	S	S	*	*			trans	70.2	147	156	-60.9	-54.3	0	0	0	119.3
695	S	28.2	Very low	26.7	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	78%	0.777	S	S	*	*			cis	-158.3	151.1	-11.6	46.2	0	0	0	0	113.9
696	E	26.1	Very low	26.9	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	77%	0.773	S	S	*	*			trans	-50.1	147.2	171.5	-56.1	135.6	123.9	0	0	116.8
697	V	29.1	Very low	27	Very low	142 Å²	142	141.6 Å²	141.6	86%	0.861	78%	0.777	S	S	*	*				-166.4	136.2	128.8	176.7	0	0	0	0	106.4
698	E	28.1	Very low	27.1	Very low	173 Å²	173	137 Å²	137	81%	0.808	77%	0.77	S	S	*	*			cis	-162.2	152.3	-26.9	179.2	166.8	-152.7	0	0	107.1
699	N	23.7	Very low	27.4	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	78%	0.775	S	S	*	*			trans	-112.1	134.6	-178.1	-101.9	-36.5	0	0	0	111.2
700	T	29.4	Very low	27.4	Very low	137 Å²	137	138 Å²	138	84%	0.84	78%	0.779	S	S	*	*			trans	-165.3	133.1	154.5	2.9	0	0	0	0	115.2
701	Q	23.3	Very low	27.6	Very low	176 Å²	176	136 Å²	136	82%	0.822	78%	0.78	S	S	*	*			trans	-95	-168.2	151.7	-55	179.1	-39.5	0	0	108.4
702	P	32.4	Very low	27.7	Very low	101 Å²	101	137.6 Å²	137.6	66%	0.656	78%	0.781	S	S	*	*			cis	-130.8	-173.1	-19.9	24.1	0.1	0	0	0	113.4
703	N	25.2	Very low	27.9	Very low	168 Å²	168	136.2 Å²	136.2	90%	0.898	77%	0.769	S	S	*	*			trans	54.6	119.9	150.8	-77.7	-11.2	0	0	0	121.4
704	G	29.2	Very low	27.9	Very low	82 Å²	82	141.9 Å²	141.9	85%	0.845	78%	0.778	S	S	*	*			trans	-171.1	111.3	158.9	0	0	0	0	0	112.5
705	Q	26	Very low	27.8	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	77%	0.774	S	S	*	*			trans	-86.7	145.7	178.1	-63.1	172.2	-63.5	0	0	111.8
706	S	28.9	Very low	27.9	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	78%	0.777	S	S	*	*				156.1	137.7	109	54.7	0	0	0	0	113.6
707	N	28.7	Very low	27.9	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	78%	0.779	S	S	*	*			trans	64.7	154.5	160.9	-46.8	-21.9	0	0	0	115.5
708	A	29.1	Very low	27.7	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	77%	0.773	S	S	*	*			cis	-164.2	151.1	-13.9	0	0	0	0	0	107.1
709	D	30.5	Very low	27.8	Very low	153 Å²	153	135.9 Å²	135.9	82%	0.818	77%	0.774	S	S	*	*			cis	-156	179.3	-8.6	-97.5	-28.1	0	0	0	110
710	I	26.4	Very low	28	Very low	149 Å²	149	132.7 Å²	132.7	76%	0.764	76%	0.762	S	S	*	*			trans	-113.9	138.4	-175.3	-74.3	168	0	0	0	107.7
711	P	31	Very low	27.7	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	76%	0.759	S	S	*	*				-158	147.5	91.3	41.2	-20.5	0	0	0	119.7
712	N	26.3	Very low	28	Very low	135 Å²	135	134.1 Å²	134.1	72%	0.722	76%	0.756	S	S	*	*				58.1	160.3	129.9	-59	13.6	0	0	0	119.9
713	D	30.4	Very low	27.8	Very low	104 Å²	104	135.5 Å²	135.5	56%	0.556	76%	0.762	S	S	*	*			cis	-152.6	166.3	21.8	-147	10.1	0	0	0	113.6
714	R	27.2	Very low	27.9	Very low	199 Å²	199	130.9 Å²	130.9	75%	0.751	76%	0.755	S	S	*	*			trans	25.5	125.6	152	-69.8	167	172.6	119.4	-7	120.3
715	S	25.3	Very low	27.7	Very low	108 Å²	108	130 Å²	130	76%	0.755	75%	0.745	S	S	*	*				77.1	92.1	50.8	84.9	0	0	0	0	116.9
716	S	30.1	Very low	27.6	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	72%	0.722	S	S	*	*			trans	-173.7	110.7	155.1	49.8	0	0	0	0	106
717	L	24.8	Very low	27.5	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	72%	0.718	S	S	*	*			cis	67.6	138.7	46.2	-150.2	83.4	0	0	0	113.4
718	T	25.4	Very low	27.4	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	72%	0.721	S	S	*	*			trans	63.4	107.6	176.8	42.2	0	0	0	0	117.5
719	D	30.2	Very low	27.2	Very low	153 Å²	153	129.8 Å²	129.8	82%	0.818	72%	0.721	S	S	*	*				32	145.6	105.6	-101.7	-31.6	0	0	0	118.4
720	P	27.3	Very low	27	Very low	91 Å²	91	134 Å²	134	59%	0.591	73%	0.725	S	S	*	*				-161.7	179.1	69.9	44.9	-25.5	0	0	0	119
721	F	24.4	Very low	26.9	Very low	178 Å²	178	131 Å²	131	78%	0.781	72%	0.723	S	S	*	*			trans	57	134.2	157.7	-54.9	-58.5	0	0	0	117.7
722	H	30.3	Very low	26.7	Very low	165 Å²	165	134.4 Å²	134.4	76%	0.764	73%	0.731	S	S	*	*				-163	156.2	53.4	-104.7	-77.6	0	0	0	113.3
723	V	27.8	Very low	26.8	Very low	129 Å²	129	133.1 Å²	133.1	78%	0.782	73%	0.733	S	S	*	*			trans	6.9	131.7	131	-174	0	0	0	0	116.2
724	G	26.6	Very low	26.7	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	75%	0.748	S	S	*	*			cis	127.1	116.9	8	0	0	0	0	0	112.2
725	G	25.4	Very low	26.8	Very low	63 Å²	63	132.2 Å²	132.2	65%	0.649	75%	0.746	S	S	*	*			trans	105.1	140.3	160.1	0	0	0	0	0	119.7
726	Y	23.9	Very low	26.9	Very low	109 Å²	109	131.9 Å²	131.9	43%	0.427	74%	0.744	S	S	.	*			trans	61.4	125.1	136.3	-70.3	-91	0	0	0	122.9	Q425 N427	Q425-Y726 HydrophobicContact CB-CD1 4.36Å; Q425-Y726 HydrophobicContact CB-CE1 3.58Å; Q425-Y726 HydrophobicContact CG-CE1 4.08Å; N427-Y726 PolarHBondContact N-OH 3.38Å
727	I	26.1	Very low	26.6	Very low	115 Å²	115	133.4 Å²	133.4	59%	0.59	74%	0.743	S	S	*	*			trans	92.8	129.4	133.1	-69.8	167.4	0	0	0	122.6
728	R	26.8	Very low	26.7	Very low	232 Å²	232	131.9 Å²	131.9	88%	0.875	74%	0.736	S	S	*	*			trans	67.5	153.1	158.9	-78.9	160.2	-169.4	150.8	1.7	119.4
729	G	24.1	Very low	26.8	Very low	64 Å²	64	133.9 Å²	133.9	66%	0.66	74%	0.741	S	S	*	*			cis	113.5	100.6	-10.8	0	0	0	0	0	117.2
730	R	28	Very low	26.6	Very low	241 Å²	241	130.2 Å²	130.2	91%	0.909	74%	0.739	S	S	*	*			trans	-176.6	134.6	158.7	-97.2	159.8	-170.3	-154.7	1.5	106.9
731	A	24.5	Very low	26.6	Very low	86 Å²	86	135.6 Å²	135.6	71%	0.711	75%	0.754	S	S	*	*			cis	96.3	137.3	27.5	0	0	0	0	0	114.7
732	M	25.4	Very low	26.7	Very low	183 Å²	183	131.9 Å²	131.9	90%	0.901	75%	0.75	S	S	*	*			trans	74.4	145.1	178.4	-53.6	-52.1	-145.1	0	0	116.2
733	S	29.3	Very low	26.6	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	75%	0.751	S	S	*	*			cis	-167	152	-9.3	46	0	0	0	0	113.1
734	M	28.2	Very low	26.6	Very low	175 Å²	175	130.4 Å²	130.4	86%	0.862	75%	0.752	S	S	*	*			trans	-57.9	166.4	153.3	-85	-80.2	179.3	0	0	111.2
735	P	29.2	Very low	26.9	Very low	109 Å²	109	136 Å²	136	71%	0.708	76%	0.758	S	S	*	*			cis	-148.4	-173.1	31.6	37.5	-14.1	0	0	0	117.1
736	S	27	Very low	27.1	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	77%	0.767	S	S	*	*			trans	137.3	136	130.3	-59.3	0	0	0	0	115.7
737	N	24.1	Very low	27.7	Very low	143 Å²	143	141 Å²	141	77%	0.765	78%	0.777	S	S	*	*			trans	-68.4	168.2	170.9	-43.8	-32.4	0	0	0	110.6
738	D	27.2	Very low	28.2	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	78%	0.781	S	S	*	*				-171.2	144.9	71.2	-99.1	-33.2	0	0	0	114.9
739	L	27.9	Very low	28.5	Very low	163 Å²	163	134.9 Å²	134.9	85%	0.853	78%	0.778	S	S	*	*			trans	38.5	127.1	135.1	-53.8	167.7	0	0	0	121.5
740	G	25.7	Very low	29	Very low	77 Å²	77	140.6 Å²	140.6	79%	0.794	78%	0.784	S	S	*	*			trans	173	94.5	156.8	0	0	0	0	0	118.7
741	F	26.7	Very low	28.9	Very low	203 Å²	203	135.6 Å²	135.6	89%	0.89	78%	0.776	S	S	*	*			trans	-47	164.6	161.9	-76	-105.2	0	0	0	114
742	S	27.1	Very low	29.4	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	78%	0.783	S	S	*	*			cis	158.9	-178.8	-11.6	-79.4	0	0	0	0	106.3
743	S	28.4	Very low	29.8	Very low	112 Å²	112	133 Å²	133	78%	0.783	78%	0.775	S	S	*	*			trans	88	114.3	173	-149.6	0	0	0	0	114.4
744	L	27.7	Very low	29.9	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	78%	0.78	S	S	*	*			cis	91.5	111.3	38.2	-173	152.9	0	0	0	113
745	E	31.3	Very low	30.1	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	78%	0.78	S	S	*	*			trans	-164	171.3	137.7	-109.4	179.3	175.4	0	0	111.3
746	E	29.7	Very low	30.3	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	79%	0.786	S	S	*	*			trans	-148.6	-167.8	-153.1	-131.8	-158	144.8	0	0	110.5
747	P	37.4	Very low	30.6	Very low	100 Å²	100	145.9 Å²	145.9	65%	0.649	80%	0.798	S	S	*	*			cis	-113.6	-78.5	-32.5	15.4	7.9	0	0	0	114.4
748	P	36.9	Very low	30.8	Very low	102 Å²	102	142.7 Å²	142.7	66%	0.662	80%	0.799	S	S	*	*				-121	174.5	-64	39.7	-26.6	0	0	0	117.6
749	S	33.6	Very low	31.3	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	81%	0.807	S	S	*	*			trans	76.1	131.1	170.5	72.5	0	0	0	0	117.6
750	K	33	Very low	31.4	Very low	184 Å²	184	142.8 Å²	142.8	80%	0.8	81%	0.805	S	S	*	*			cis	108.3	103.1	11.2	-72.9	-162.1	169.4	-172.3	0	117.2
751	D	27.5	Very low	31.6	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	81%	0.806	S	S	*	*			trans	59	151.5	130.9	-52.7	-44.8	0	0	0	122.9
752	S	35.2	Very low	31.8	Very low	124 Å²	124	143.9 Å²	143.9	87%	0.867	80%	0.804	S	S	*	*			trans	88.1	141.4	173.8	-38.2	0	0	0	0	116.1
753	A	32.6	Very low	32	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	81%	0.806	S	S	*	*			cis	-162.2	158.2	-19.4	0	0	0	0	0	111.4
754	E	31	Very low	32.1	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	81%	0.806	S	S	*	*			trans	9.2	126.8	156.5	-55.5	176.5	166	0	0	121.2
755	K	33.8	Very low	32.3	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	80%	0.804	S	S	*	*				-170.1	170.3	104.8	-107.1	176.3	-179.7	-179.6	0	115.8
756	E	31.8	Very low	32.2	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	80%	0.8	S	S	*	*			trans	-90.3	145.5	-168.5	-56.1	161.1	103.6	0	0	113.9
757	E	34.9	Very low	32.3	Very low	206 Å²	206	143.4 Å²	143.4	96%	0.963	80%	0.801	S	S	*	*				-164.1	156.2	118.6	-105.5	177.7	170.4	0	0	109.1
758	G	28.1	Very low	31.7	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	81%	0.812	S	S	*	*			trans	-129.9	163.6	-153.1	0	0	0	0	0	118.3
759	I	36.6	Very low	31.3	Very low	167 Å²	167	151.7 Å²	151.7	86%	0.856	82%	0.816	S	S	*	*			trans	-135	136.3	172.7	-61.2	-178.8	0	0	0	108.1
760	P	31	Very low	31	Very low	128 Å²	128	153.2 Å²	153.2	83%	0.831	81%	0.814	S	S	*	*			trans	-85.4	161.2	-167.1	33.9	-37.5	0	0	0	114.8
761	G	28.6	Very low	30.7	Very low	79 Å²	79	148.4 Å²	148.4	81%	0.814	80%	0.803	S	S	*	*			trans	162.3	-14.3	163.7	0	0	0	0	0	119.4
762	R	31.4	Very low	30.7	Very low	225 Å²	225	149.5 Å²	149.5	85%	0.849	81%	0.809	S	S	*	*			trans	-124.2	116.8	-173.6	-174.4	179	-171.1	-160.9	4.5	113.3
763	P	31.8	Very low	30.4	Very low	113 Å²	113	147 Å²	147	73%	0.734	80%	0.804	S	S	*	*			trans	-79.5	154.9	160.5	32.8	-31.8	0	0	0	111.3
764	P	30.8	Very low	30.1	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	81%	0.805	S	S	*	*			trans	-117.3	174	-152.6	37.4	-23.1	0	0	0	115.6
765	E	30.5	Very low	30	Very low	162 Å²	162	151.7 Å²	151.7	76%	0.757	81%	0.808	S	S	*	*			trans	-88.9	167.9	171.8	-163.2	-169.9	-177.1	0	0	111.7
766	K	30.5	Very low	29.6	Very low	187 Å²	187	146 Å²	146	81%	0.813	80%	0.798	S	S	*	*			trans	88.4	148.3	-174.4	-53.9	152.5	-172.9	172.2	0	111
767	V	30.8	Very low	29.4	Very low	139 Å²	139	144.2 Å²	144.2	84%	0.842	80%	0.799	S	S	*	*			cis	-136.8	161.2	40.5	179	0	0	0	0	113.5
768	R	25.6	Very low	29.1	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	79%	0.79	S	S	*	*			trans	-73.2	169.7	178.3	-59	166	169.9	153.6	-6.7	113.5
769	L	28.9	Very low	29.1	Very low	146 Å²	146	140 Å²	140	76%	0.764	79%	0.785	S	S	*	*				165.1	122.4	129.7	-84.5	162	0	0	0	109.1
770	I	26.2	Very low	28.7	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	78%	0.778	S	S	*	*				63.5	126.1	92.2	-70.3	-170.2	0	0	0	113.3
771	S	26.4	Very low	28.8	Very low	83 Å²	83	138.8 Å²	138.8	58%	0.58	77%	0.773	S	S	*	*			cis	-174.5	174.7	-4.3	54.8	0	0	0	0	113.2
772	N	29.2	Very low	29	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	76%	0.763	S	S	*	*			trans	78.5	142.8	159.6	-53.7	-29.1	0	0	0	118.2
773	G	28.4	Very low	28.9	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	76%	0.76	S	S	*	*			trans	-178.6	-46.9	177.4	0	0	0	0	0	119.1
774	T	26.6	Very low	28.7	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	76%	0.76	S	S	*	*			trans	57.9	119.1	164.5	-53.4	0	0	0	0	120.1
775	R	28.4	Very low	28.9	Very low	242 Å²	242	134.9 Å²	134.9	91%	0.913	76%	0.761	S	S	*	*			trans	71.8	159.2	161.8	-73.7	171.8	173	173.4	-4	119
776	A	26.2	Very low	29	Very low	78 Å²	78	135.6 Å²	135.6	65%	0.645	77%	0.765	S	S	*	*			cis	179.1	127.3	-34.3	0	0	0	0	0	111.7
777	V	25.8	Very low	29.5	Very low	144 Å²	144	136.7 Å²	136.7	87%	0.873	77%	0.769	S	S	*	*			trans	66.3	144.3	163.5	-165	0	0	0	0	113
778	S	29.3	Very low	29.9	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	77%	0.769	S	S	*	*			cis	-141.4	-177.4	32.2	-47.9	0	0	0	0	113.8
779	A	28.7	Very low	30.6	Very low	83 Å²	83	131.3 Å²	131.3	69%	0.686	75%	0.749	S	S	*	*			trans	-78.7	177.4	162.4	0	0	0	0	0	111
780	T	28.2	Very low	31	Very low	114 Å²	114	128.1 Å²	128.1	70%	0.699	73%	0.729	S	S	*	*			cis	-162.8	161.6	31.3	-23.2	0	0	0	0	113.4
781	Q	32.7	Very low	31.5	Very low	157 Å²	157	125.3 Å²	125.3	73%	0.734	71%	0.712	S	S	*	*			trans	9.8	158.2	146.1	-72.1	174.2	2.5	0	0	121.8	H837	Q781-H837 PolarHBondContact O-CE1 3.22Å; Q781-H837 PolarHBondContact O-ND1 3.11Å; Q781-H837 VanDerWaalsContact O-ND1 3.14Å
782	A	31.9	Very low	32.3	Very low	73 Å²	73	124.2 Å²	124.2	60%	0.603	71%	0.707	S	S	*	*			cis	-161.5	-165.9	-13.5	0	0	0	0	0	107.2	H837	A782-H837 PolarHBondContact N-CE1 2.58Å; A782-H837 PolarHBondContact N-NE2 3.27Å
783	E	29.5	Very low	33	Very low	168 Å²	168	123.5 Å²	123.5	79%	0.785	69%	0.693	S	S	*	*			cis	-148.9	153.2	42.1	-66.8	-177.3	103.1	0	0	113.1	H837	E783-H837 VanDerWaalsContact CG-CD2 3.47Å; E783-H837 WeakPolarHBondContact CG-CD2 3.35Å
784	A	28.4	Very low	33.7	Very low	89 Å²	89	120.2 Å²	120.2	74%	0.736	66%	0.658	S	S	*	*			trans	-150.2	151.3	161.2	0	0	0	0	0	108.4
785	P	34.5	Very low	34.8	Very low	124 Å²	124	119.8 Å²	119.8	81%	0.805	65%	0.646	S	S	*	*			trans	-69.5	138.6	-147.8	23.4	-34.4	0	0	0	115.6	K787	P785-K787 PolarHBondContact O-N 3.06Å
786	Q	33.3	Very low	36.1	Very low	178 Å²	178	115 Å²	115	83%	0.832	63%	0.632	S	S	*	*			trans	-57.8	118.5	176.3	-65.8	177.5	-6.9	0	0	111.6	K788	Q786-K788 PolarHBondContact O-N 2.85Å
787	K	40.2	Very low	37.3	Very low	209 Å²	209	114.6 Å²	114.6	91%	0.909	62%	0.616	S	S	*	*			trans	-72	87.8	174.3	-68.2	-178.6	179.4	178.9	0	110.6	P785 S789	P785-K787 PolarHBondContact O-N 3.06Å; K787-S789 PolarHBondContact O-N 2.88Å; K787-S789 VanDerWaalsContact O-N 3.17Å
788	K	39.6	Very low	38.1	Very low	191 Å²	191	111.4 Å²	111.4	83%	0.83	59%	0.594	S	S	*	*			trans	-55.9	119	158.9	-67.1	-174.1	177.5	-175.6	0	107.2	Q786	Q786-K788 PolarHBondContact O-N 2.85Å
789	S	40.2	Very low	39	Very low	65 Å²	65	112.5 Å²	112.5	46%	0.455	59%	0.589	S	S	.	*			trans	-63.1	149.5	-167.3	57.4	0	0	0	0	112.1	K787 F791 A792	K787-S789 PolarHBondContact O-N 2.88Å; K787-S789 VanDerWaalsContact O-N 3.17Å; S789-F791 VanDerWaalsContact C-N 3.28Å; S789-F791 PolarHBondContact O-N 3.32Å; S789-A792 PolarHBondContact O-N 3.45Å; S789-A792 VanDerWaalsContact O-N 3.08Å; S789-A792 PolarHBondContact OG-N 3.37Å
790	F	38.2	Very low	40.2	Very low	80 Å²	80	112.5 Å²	112.5	35%	0.351	58%	0.577	S	S	.	*	H	α-helix	trans	-56.4	-46.7	175	-163.3	-123.5	0	0	0	110.2	D614 A792 R793 I794	D614-F790 HydrophobicContact CB-CE1 3.81Å; D614-F790 WeakPolarHBondContact O-CD1 3Å; D614-F790 WeakPolarHBondContact O-CE1 3.31Å; D614-F790 WeakPolarHBondContact OD2-CE1 3.47Å; F790-A792 VanDerWaalsContact C-N 3.31Å; F790-A792 PolarHBondContact O-N 2.89Å; F790-R793 WeakPolarHBondContact O-CA 3.35Å; F790-R793 WeakPolarHBondContact O-CB 3.43Å; F790-R793 PolarHBondContact O-N 3.2Å; F790-I794 HydrophobicContact CD1-CD1 3.82Å; F790-I794 HydrophobicContact CD2-CD1 4.35Å; F790-I794 HydrophobicContact CE1-CD1 3.67Å; F790-I794 HydrophobicContact CE2-CD1 4.2Å; F790-I794 HydrophobicContact CG-CD1 4.16Å; F790-I794 HydrophobicContact CZ-CD1 3.87Å; F790-I794 PolarHBondContact O-N 2.88Å
791	F	35.8	Very low	40.9	Very low	87 Å²	87	109.5 Å²	109.5	38%	0.382	56%	0.564	S	S	.	*	H	α-helix	trans	-36.1	-51.4	164	-100.4	-70.7	0	0	0	114.9	D615 Y616 S789 R793 I794 K795	D615-F791 HydrophobicContact CB-CB 4.43Å; D615-F791 HydrophobicContact CB-CD1 3.56Å; D615-F791 HydrophobicContact CB-CD2 4.19Å; D615-F791 HydrophobicContact CB-CE1 3.72Å; D615-F791 HydrophobicContact CB-CE2 4.32Å; D615-F791 HydrophobicContact CB-CG 3.81Å; D615-F791 HydrophobicContact CB-CZ 4.1Å; D615-F791 VanDerWaalsContact CG-CE2 3.47Å; D615-F791 WeakPolarHBondContact OD1-CD2 3.27Å; D615-F791 WeakPolarHBondContact OD1-CE2 3.46Å; D615-F791 WeakPolarHBondContact OD1-CZ 3.43Å; D615-F791 WeakPolarHBondContact OD2-CA 3.22Å; D615-F791 WeakPolarHBondContact OD2-CB 3.31Å; D615-F791 WeakPolarHBondContact OD2-CD2 3.45Å; D615-F791 WeakPolarHBondContact OD2-CG 3.39Å; D615-F791 PolarHBondContact OD2-N 3.09Å; Y616-F791 HydrophobicContact CD1-CD1 4.32Å; Y616-F791 AromaticContact CD1-CE1 3.89Å; Y616-F791 HydrophobicContact CD1-CE1 3.89Å; Y616-F791 AromaticContact CD2-CD1 3.97Å; Y616-F791 HydrophobicContact CD2-CD1 3.97Å; Y616-F791 HydrophobicContact CD2-CE1 4.09Å; Y616-F791 AromaticContact CE1-CD1 3.85Å; Y616-F791 HydrophobicContact CE1-CD1 3.85Å; Y616-F791 AromaticContact CE1-CE1 3.75Å; Y616-F791 HydrophobicContact CE1-CE1 3.75Å; Y616-F791 AromaticContact CE2-CD1 3.45Å; Y616-F791 HydrophobicContact CE2-CD1 3.45Å; Y616-F791 VanDerWaalsContact CE2-CD1 3.45Å; Y616-F791 AromaticContact CE2-CE1 3.96Å; Y616-F791 HydrophobicContact CE2-CE1 3.96Å; Y616-F791 HydrophobicContact CG-CD1 4.36Å; Y616-F791 HydrophobicContact CG-CE1 4.04Å; Y616-F791 AromaticContact CZ-CD1 3.37Å; Y616-F791 AromaticContact CZ-CE1 3.78Å; S789-F791 VanDerWaalsContact C-N 3.28Å; S789-F791 PolarHBondContact O-N 3.32Å; F791-R793 PolarHBondContact O-N 3.42Å; F791-I794 PolarHBondContact O-N 3.44Å; F791-K795 WeakPolarHBondContact O-CB 3.08Å; F791-K795 PolarHBondContact O-N 3.3Å
792	A	42.6	Very low	41.2	Very low	59 Å²	59	106 Å²	106	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-68.3	-23.4	-178.5	0	0	0	0	0	113.3	S789 F790	S789-A792 PolarHBondContact O-N 3.45Å; S789-A792 VanDerWaalsContact O-N 3.08Å; S789-A792 PolarHBondContact OG-N 3.37Å; F790-A792 VanDerWaalsContact C-N 3.31Å; F790-A792 PolarHBondContact O-N 2.89Å
793	R	44.7	Very low	41.9	Very low	146 Å²	146	105.4 Å²	105.4	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-77.8	-42.7	178.2	-132.8	177.5	-165	-176.5	2.2	111.6	M611 F790 F791 K796 Q797	M611-R793 PolarHBondContact SD-NH1 2.8Å; M611-R793 VanDerWaalsContact SD-NH1 3.37Å; F790-R793 WeakPolarHBondContact O-CA 3.35Å; F790-R793 WeakPolarHBondContact O-CB 3.43Å; F790-R793 PolarHBondContact O-N 3.2Å; F791-R793 PolarHBondContact O-N 3.42Å; R793-K796 WeakPolarHBondContact O-CB 3.46Å; R793-K796 PolarHBondContact O-N 3.27Å; R793-Q797 PolarHBondContact O-N 3.5Å
794	I	43.9	Very low	43	Very low	3 Å²	3	103.2 Å²	103.2	2%	0.015	54%	0.54	C	S	.	.	H	α-helix	trans	-84.8	-30	-174.1	-70.3	148.2	0	0	0	111.6	F613 D614 F790 F791 K796 Q797 L798	F613-I794 HydrophobicContact CD1-CG2 4.04Å; D614-I794 VanDerWaalsContact N-CD1 3.33Å; D614-I794 WeakPolarHBondContact O-CD1 3.25Å; F790-I794 HydrophobicContact CD1-CD1 3.82Å; F790-I794 HydrophobicContact CD2-CD1 4.35Å; F790-I794 HydrophobicContact CE1-CD1 3.67Å; F790-I794 HydrophobicContact CE2-CD1 4.2Å; F790-I794 HydrophobicContact CG-CD1 4.16Å; F790-I794 HydrophobicContact CZ-CD1 3.87Å; F790-I794 PolarHBondContact O-N 2.88Å; F791-I794 PolarHBondContact O-N 3.44Å; I794-K796 PolarHBondContact O-N 2.83Å; I794-Q797 PolarHBondContact O-N 3.39Å; I794-Q797 VanDerWaalsContact O-N 3.11Å; I794-L798 HydrophobicContact CG2-CD1 4.27Å; I794-L798 PolarHBondContact O-N 2.9Å
795	K	47.9	Very low	43.8	Very low	117 Å²	117	101 Å²	101	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-51	-42.5	162.1	-163.3	167	-174	165.1	0	111.3	Y616 F791 M799	Y616-K795 HydrophobicContact CE2-CB 3.65Å; Y616-K795 HydrophobicContact CE2-CD 4.31Å; Y616-K795 HydrophobicContact CE2-CG 4.09Å; F791-K795 WeakPolarHBondContact O-CB 3.08Å; F791-K795 PolarHBondContact O-N 3.3Å; K795-M799 WeakPolarHBondContact O-CB 3.45Å; K795-M799 WeakPolarHBondContact O-CG 3.38Å; K795-M799 PolarHBondContact O-N 3.02Å
796	K	57.4	Low	44.3	Very low	142 Å²	142	97.5 Å²	97.5	62%	0.617	50%	0.504	S	S	*	.	H	α-helix	trans	-71.5	-36.1	179.3	-173.1	167.6	-177.7	168.8	0	112.9	R793 I794 N800	R793-K796 WeakPolarHBondContact O-CB 3.46Å; R793-K796 PolarHBondContact O-N 3.27Å; I794-K796 PolarHBondContact O-N 2.83Å; K796-N800 WeakPolarHBondContact O-CB 3.36Å; K796-N800 PolarHBondContact O-N 2.99Å; K796-N800 PolarHBondContact O-OD1 3.24Å
797	Q	51.4	Low	45.1	Very low	68 Å²	68	91.5 Å²	91.5	32%	0.318	49%	0.485	S	S	.	.	H	α-helix	trans	-68.7	-41.3	176.6	-71.4	174.5	-81.3	0	0	112	F613 R793 I794 N800 A801	F613-Q797 HydrophobicContact CE1-CB 4.17Å; F613-Q797 HydrophobicContact CZ-CB 4.45Å; R793-Q797 PolarHBondContact O-N 3.5Å; I794-Q797 PolarHBondContact O-N 3.39Å; I794-Q797 VanDerWaalsContact O-N 3.11Å; Q797-N800 PolarHBondContact O-N 2.91Å; Q797-A801 PolarHBondContact O-N 3.37Å
798	L	42.5	Very low	45.8	Very low	78 Å²	78	87.5 Å²	87.5	41%	0.408	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-44.8	174	-76.5	163.8	0	0	0	112.2	I794 N800 A801 C802	I794-L798 HydrophobicContact CG2-CD1 4.27Å; I794-L798 PolarHBondContact O-N 2.9Å; L798-N800 VanDerWaalsContact C-N 3.28Å; L798-N800 PolarHBondContact O-N 3.09Å; L798-A801 PolarHBondContact O-N 2.01Å; L798-C802 WeakPolarHBondContact O-CB 3.38Å; L798-C802 PolarHBondContact O-N 2.72Å; L798-C802 PolarHBondContact O-SG 2.89Å; L798-C802 VanDerWaalsContact O-SG 3.34Å
799	M	48.5	Very low	46.3	Very low	132 Å²	132	87.7 Å²	87.7	65%	0.65	47%	0.465	S	S	*	.	H	α-helix	trans	-56.4	-41.4	174.3	-73	-84.9	-69	0	0	112.4	K795 A803	K795-M799 WeakPolarHBondContact O-CB 3.45Å; K795-M799 WeakPolarHBondContact O-CG 3.38Å; K795-M799 PolarHBondContact O-N 3.02Å; M799-A803 WeakPolarHBondContact O-CB 3.1Å; M799-A803 PolarHBondContact O-N 3.18Å; M799-A803 VanDerWaalsContact O-N 3.1Å
800	N	53.6	Low	46.9	Very low	83 Å²	83	91 Å²	91	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-65.6	-49.9	175.4	-86.2	46.7	0	0	0	111.9	K796 Q797 L798 C802 A803 E804	K796-N800 WeakPolarHBondContact O-CB 3.36Å; K796-N800 PolarHBondContact O-N 2.99Å; K796-N800 PolarHBondContact O-OD1 3.24Å; Q797-N800 PolarHBondContact O-N 2.91Å; L798-N800 VanDerWaalsContact C-N 3.28Å; L798-N800 PolarHBondContact O-N 3.09Å; N800-C802 VanDerWaalsContact C-N 3.31Å; N800-C802 PolarHBondContact O-N 2.92Å; N800-A803 WeakPolarHBondContact O-CB 3Å; N800-A803 PolarHBondContact O-N 3.45Å; N800-E804 PolarHBondContact O-N 3.28Å
801	A	42.6	Very low	47.6	Very low	50 Å²	50	92.5 Å²	92.5	41%	0.413	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-36.8	-179.5	0	0	0	0	0	112.5	Q797 L798 E804 A805	Q797-A801 PolarHBondContact O-N 3.37Å; L798-A801 PolarHBondContact O-N 2.01Å; A801-E804 PolarHBondContact O-N 3.38Å; A801-A805 VanDerWaalsContact O-CB 3.31Å; A801-A805 WeakPolarHBondContact O-CB 3.01Å; A801-A805 PolarHBondContact O-N 3.11Å
802	C	38	Very low	48.4	Very low	84 Å²	84	96.1 Å²	96.1	57%	0.568	51%	0.505	S	S	*	.	H	α-helix	trans	-68.6	-33.8	173.1	-67.4	0	0	0	0	112.6	L798 N800 A806	L798-C802 WeakPolarHBondContact O-CB 3.38Å; L798-C802 PolarHBondContact O-N 2.72Å; L798-C802 PolarHBondContact O-SG 2.89Å; L798-C802 VanDerWaalsContact O-SG 3.34Å; N800-C802 VanDerWaalsContact C-N 3.31Å; N800-C802 PolarHBondContact O-N 2.92Å; C802-A806 WeakPolarHBondContact O-CB 3.49Å; C802-A806 PolarHBondContact O-N 3.14Å
803	A	47.8	Very low	48.5	Very low	61 Å²	61	96.7 Å²	96.7	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-70.2	-39.5	174.1	0	0	0	0	0	112.1	M799 N800 A806 A807	M799-A803 WeakPolarHBondContact O-CB 3.1Å; M799-A803 PolarHBondContact O-N 3.18Å; M799-A803 VanDerWaalsContact O-N 3.1Å; N800-A803 WeakPolarHBondContact O-CB 3Å; N800-A803 PolarHBondContact O-N 3.45Å; A803-A806 PolarHBondContact O-N 3.04Å; A803-A807 PolarHBondContact O-N 3.37Å
804	E	53	Low	47.9	Very low	121 Å²	121	92.9 Å²	92.9	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-48.4	174.3	-72.7	169.5	157.5	0	0	110.7	N800 A801 A806 A807 E808	N800-E804 PolarHBondContact O-N 3.28Å; A801-E804 PolarHBondContact O-N 3.38Å; E804-A806 VanDerWaalsContact C-N 3.28Å; E804-A806 PolarHBondContact O-N 3.14Å; E804-A807 CarbonylContact O-C 3.46Å; E804-A807 WeakPolarHBondContact O-CA 3.23Å; E804-A807 WeakPolarHBondContact O-CB 3.32Å; E804-A807 PolarHBondContact O-N 3.35Å; E804-E808 PolarHBondContact O-N 2.86Å
805	A	45.2	Very low	47.5	Very low	43 Å²	43	96.9 Å²	96.9	36%	0.355	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-31.2	174.3	0	0	0	0	0	113.4	A801 R809	A801-A805 VanDerWaalsContact O-CB 3.31Å; A801-A805 WeakPolarHBondContact O-CB 3.01Å; A801-A805 PolarHBondContact O-N 3.11Å; A805-R809 WeakPolarHBondContact O-CB 3.35Å; A805-R809 WeakPolarHBondContact O-CG 3.32Å; A805-R809 PolarHBondContact O-N 3.29Å
806	A	44.4	Very low	46.7	Very low	51 Å²	51	97 Å²	97	42%	0.421	55%	0.553	S	S	.	*	H	α-helix	trans	-74.9	-25.2	173.1	0	0	0	0	0	113.2	C802 A803 E804 K810	C802-A806 WeakPolarHBondContact O-CB 3.49Å; C802-A806 PolarHBondContact O-N 3.14Å; A803-A806 PolarHBondContact O-N 3.04Å; E804-A806 VanDerWaalsContact C-N 3.28Å; E804-A806 PolarHBondContact O-N 3.14Å; A806-K810 WeakPolarHBondContact O-CG 3.46Å
807	A	50.8	Low	45.8	Very low	52 Å²	52	95 Å²	95	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-76.1	-46.8	169.4	0	0	0	0	0	110.8	A803 E804 R809 K810 V811	A803-A807 PolarHBondContact O-N 3.37Å; E804-A807 CarbonylContact O-C 3.46Å; E804-A807 WeakPolarHBondContact O-CA 3.23Å; E804-A807 WeakPolarHBondContact O-CB 3.32Å; E804-A807 PolarHBondContact O-N 3.35Å; A807-R809 VanDerWaalsContact C-N 3.34Å; A807-R809 PolarHBondContact O-N 2.8Å; A807-K810 WeakPolarHBondContact O-CA 3.19Å; A807-K810 WeakPolarHBondContact O-CB 3.25Å; A807-K810 PolarHBondContact O-N 3.45Å; A807-V811 WeakPolarHBondContact O-CG2 3.13Å; A807-V811 PolarHBondContact O-N 3.29Å
808	E	53	Low	45	Very low	125 Å²	125	100.1 Å²	100.1	58%	0.584	58%	0.581	S	S	*	*	H	α-helix	trans	-62.3	-38.5	177.7	-70.2	-176	160.2	0	0	112.2	E804 K810 V811 Q812	E804-E808 PolarHBondContact O-N 2.86Å; E808-K810 VanDerWaalsContact C-N 3.29Å; E808-K810 PolarHBondContact O-N 2.96Å; E808-V811 PolarHBondContact O-N 3.45Å; E808-Q812 WeakPolarHBondContact O-CB 3.38Å; E808-Q812 WeakPolarHBondContact O-CG 3.33Å; E808-Q812 PolarHBondContact O-N 2.76Å
809	R	50.8	Low	44.4	Very low	194 Å²	194	103.7 Å²	103.7	73%	0.732	60%	0.595	S	S	*	*	H	α-helix	trans	-62.9	-31.2	171.2	-79.4	179.5	174.7	-179.8	-1.1	113.4	A805 A807 A813	A805-R809 WeakPolarHBondContact O-CB 3.35Å; A805-R809 WeakPolarHBondContact O-CG 3.32Å; A805-R809 PolarHBondContact O-N 3.29Å; A807-R809 VanDerWaalsContact C-N 3.34Å; A807-R809 PolarHBondContact O-N 2.8Å; R809-A813 WeakPolarHBondContact O-CB 3.04Å; R809-A813 PolarHBondContact O-N 2.99Å
810	K	52	Low	43.9	Very low	135 Å²	135	106.9 Å²	106.9	59%	0.587	61%	0.606	S	S	*	*	H	α-helix	trans	-72.8	-36.2	173.2	-73.4	173	179.6	-179.3	0	112.1	A806 A807 E808 V815	A806-K810 WeakPolarHBondContact O-CG 3.46Å; A807-K810 WeakPolarHBondContact O-CA 3.19Å; A807-K810 WeakPolarHBondContact O-CB 3.25Å; A807-K810 PolarHBondContact O-N 3.45Å; E808-K810 VanDerWaalsContact C-N 3.29Å; E808-K810 PolarHBondContact O-N 2.96Å; K810-V815 PolarHBondContact O-N 2.9Å
811	V	52.8	Low	42.8	Very low	112 Å²	112	108.6 Å²	108.6	68%	0.679	62%	0.615	S	S	*	*	H	α-helix	trans	-67.2	-43.4	173.9	174.4	0	0	0	0	111.3	A807 E808 G814	A807-V811 WeakPolarHBondContact O-CG2 3.13Å; A807-V811 PolarHBondContact O-N 3.29Å; E808-V811 PolarHBondContact O-N 3.45Å; V811-G814 PolarHBondContact O-N 2.7Å
812	Q	52.8	Low	42.1	Very low	162 Å²	162	114.7 Å²	114.7	76%	0.757	64%	0.635	S	S	*	*	H	α-helix	trans	-74.4	-27.7	178.9	-70.8	177.6	-1.1	0	0	113.5	E808 G814	E808-Q812 WeakPolarHBondContact O-CB 3.38Å; E808-Q812 WeakPolarHBondContact O-CG 3.33Å; E808-Q812 PolarHBondContact O-N 2.76Å; Q812-G814 PolarHBondContact O-N 2.75Å; Q812-G814 VanDerWaalsContact O-N 3.14Å
813	A	44.5	Very low	41.7	Very low	72 Å²	72	119.4 Å²	119.4	60%	0.595	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	9.8	173.2	0	0	0	0	0	114.1	R809 V815	R809-A813 WeakPolarHBondContact O-CB 3.04Å; R809-A813 PolarHBondContact O-N 2.99Å; A813-V815 HydrophobicContact CB-CG2 4.27Å; A813-V815 PolarHBondContact O-N 3.2Å
814	G	33.8	Very low	41	Very low	66 Å²	66	119.6 Å²	119.6	68%	0.68	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	15.1	175.7	0	0	0	0	0	115	V811 Q812 P816	V811-G814 PolarHBondContact O-N 2.7Å; Q812-G814 PolarHBondContact O-N 2.75Å; Q812-G814 VanDerWaalsContact O-N 3.14Å; G814-P816 VanDerWaalsContact O-CD 3.29Å; G814-P816 WeakPolarHBondContact O-CD 3.24Å
815	V	35.3	Very low	40	Very low	87 Å²	87	121.2 Å²	121.2	53%	0.527	67%	0.674	S	S	.	*			trans	-83.3	113.5	-177	-178.1	0	0	0	0	109.9	K810 A813 S817	K810-V815 PolarHBondContact O-N 2.9Å; A813-V815 HydrophobicContact CB-CG2 4.27Å; A813-V815 PolarHBondContact O-N 3.2Å; V815-S817 PolarHBondContact O-N 2.72Å
816	P	31	Very low	39.2	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	70%	0.696	S	S	*	*			trans	-80.9	80	-176.2	33.6	-35.1	0	0	0	111.1	G814 Q818	G814-P816 VanDerWaalsContact O-CD 3.29Å; G814-P816 WeakPolarHBondContact O-CD 3.24Å; P816-Q818 VanDerWaalsContact C-N 3.27Å; P816-Q818 PolarHBondContact O-N 2.84Å
817	S	37.3	Very low	38.7	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	71%	0.714	S	S	*	*			trans	-80.1	70.2	175.7	67.6	0	0	0	0	112.4	V815	V815-S817 PolarHBondContact O-N 2.72Å
818	Q	35.9	Very low	38	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	74%	0.735	S	S	*	*			trans	-63.6	146.6	153.3	-78	-176.8	-58.3	0	0	109.9	P816	P816-Q818 VanDerWaalsContact C-N 3.27Å; P816-Q818 PolarHBondContact O-N 2.84Å
819	E	29.9	Very low	36.8	Very low	152 Å²	152	140.9 Å²	140.9	71%	0.71	75%	0.745	S	S	*	*			trans	38.4	93.6	157.7	-58.8	-169	135	0	0	119.3
820	K	36.6	Very low	35.7	Very low	200 Å²	200	139.2 Å²	139.2	87%	0.87	75%	0.75	S	S	*	*				-158.8	109.2	126.8	-97	131.2	-168.2	169.1	0	108.5
821	N	30.8	Very low	34.8	Very low	118 Å²	118	137.7 Å²	137.7	63%	0.631	76%	0.763	S	S	*	*				71.4	116.6	60.1	-64.3	-23.1	0	0	0	113.6
822	Q	28.2	Very low	33.7	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	77%	0.768	S	S	*	*			trans	28.9	97.3	138.2	-61.2	171.9	-3	0	0	117.3
823	L	28.8	Very low	32.3	Very low	182 Å²	182	139.8 Å²	139.8	95%	0.953	77%	0.767	S	S	*	*			trans	-179.5	137.7	143.3	-125	69.6	0	0	0	109.1
824	G	33.8	Very low	31.5	Very low	65 Å²	65	143.1 Å²	143.1	67%	0.67	77%	0.774	S	S	*	*			cis	-117.6	163.3	-34.1	0	0	0	0	0	108.4
825	D	31.8	Very low	31.2	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	78%	0.778	S	S	*	*			cis	60	138.9	43.8	-81.1	-30.5	0	0	0	114.8
826	E	29.8	Very low	30.8	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	79%	0.789	S	S	*	*			trans	56.9	66.6	161.5	-61.3	-177.2	171.6	0	0	118.2
827	M	32.2	Very low	30.8	Very low	165 Å²	165	148 Å²	148	81%	0.813	77%	0.773	S	S	*	*	S	Bend	trans	-161.9	137.6	142.7	-112.8	162.8	-72.9	0	0	112.4
828	F	36.9	Very low	30.4	Very low	196 Å²	196	148.4 Å²	148.4	86%	0.86	78%	0.776	S	S	*	*			trans	71.3	46.5	-178.4	-51.9	-70.1	0	0	0	116.9
829	D	28.1	Very low	30.1	Very low	148 Å²	148	148.7 Å²	148.7	79%	0.791	77%	0.774	S	S	*	*				-59.3	-179.1	129.3	-86.9	-56.5	0	0	0	111.4
830	D	28.4	Very low	30.1	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	77%	0.773	S	S	*	*			trans	64.5	77.1	172	-65.4	-20.2	0	0	0	117.5
831	A	31.9	Very low	29.9	Very low	104 Å²	104	145.5 Å²	145.5	86%	0.86	77%	0.773	S	S	*	*			trans	-145	87.6	152	0	0	0	0	0	110.7
832	E	28.9	Very low	29.7	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	78%	0.777	S	S	*	*			trans	-64.9	158	-179.4	-66.8	-171	106	0	0	114.2
833	M	25.1	Very low	29.8	Very low	150 Å²	150	141.7 Å²	141.7	74%	0.739	78%	0.78	S	S	*	*			trans	11.3	139.9	147.5	-57.7	-168.8	-69.5	0	0	120.1
834	L	27.9	Very low	29.9	Very low	141 Å²	141	137.6 Å²	137.6	74%	0.738	77%	0.767	S	S	*	*				-171.5	140.3	101	-97.5	166.9	0	0	0	112.3	F836	L834-F836 HydrophobicContact CB-CD2 4.29Å; L834-F836 HydrophobicContact CB-CE2 4.11Å; L834-F836 HydrophobicContact CD1-CE2 4.4Å
835	S	26.8	Very low	29.7	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	77%	0.774	S	S	*	*			trans	-88.9	128.6	175.9	57.4	0	0	0	0	111.7
836	F	26.7	Very low	29.6	Very low	176 Å²	176	138.8 Å²	138.8	77%	0.772	77%	0.77	S	S	*	*			trans	-126.5	62.7	178.9	-90.6	-81.4	0	0	0	113.6	L834	L834-F836 HydrophobicContact CB-CD2 4.29Å; L834-F836 HydrophobicContact CB-CE2 4.11Å; L834-F836 HydrophobicContact CD1-CE2 4.4Å
837	H	30	Very low	29.6	Very low	91 Å²	91	135.2 Å²	135.2	42%	0.421	77%	0.765	S	S	.	*			trans	-128	110.6	149.6	-82.4	-54.3	0	0	0	111.2	Q781 A782 E783	Q781-H837 PolarHBondContact O-CE1 3.22Å; Q781-H837 PolarHBondContact O-ND1 3.11Å; Q781-H837 VanDerWaalsContact O-ND1 3.14Å; A782-H837 PolarHBondContact N-CE1 2.58Å; A782-H837 PolarHBondContact N-NE2 3.27Å; E783-H837 VanDerWaalsContact CG-CD2 3.47Å; E783-H837 WeakPolarHBondContact CG-CD2 3.35Å
838	S	30.1	Very low	29.5	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	77%	0.766	S	S	*	*			trans	-153.8	134.8	172.5	-76.5	0	0	0	0	107.3
839	F	28.7	Very low	29.2	Very low	180 Å²	180	128 Å²	128	79%	0.789	75%	0.754	S	S	*	*			trans	69.7	141.8	-176.3	-75.5	-129.8	0	0	0	113.6
840	E	30.8	Very low	29.2	Very low	145 Å²	145	128.3 Å²	128.3	68%	0.678	76%	0.755	S	S	*	*			cis	-153	144.8	9.4	-142.1	168.2	-164.6	0	0	113.8
841	T	31.2	Very low	29.3	Very low	141 Å²	141	129.3 Å²	129.3	87%	0.865	75%	0.751	S	S	*	*			trans	56.2	138.3	169.1	52.9	0	0	0	0	118.5
842	G	28	Very low	29.3	Very low	71 Å²	71	130.2 Å²	130.2	73%	0.732	75%	0.748	S	S	*	*			cis	119.5	111.1	16.8	0	0	0	0	0	107.8
843	T	30	Very low	29.4	Very low	146 Å²	146	128 Å²	128	90%	0.896	75%	0.752	S	S	*	*				-152.3	169.5	61.8	54.9	0	0	0	0	111.1
844	S	30.8	Very low	29.6	Very low	96 Å²	96	124 Å²	124	67%	0.671	75%	0.749	S	S	*	*			cis	-153.2	148.8	11.2	47.3	0	0	0	0	111.8
845	D	29.8	Very low	29.7	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	75%	0.754	S	S	*	*			trans	59	102	148.1	-55.9	-20.7	0	0	0	122.3
846	A	29.4	Very low	29.8	Very low	93 Å²	93	123.6 Å²	123.6	77%	0.769	75%	0.751	S	S	*	*				77.5	141.1	124.5	0	0	0	0	0	120.9
847	S	29.7	Very low	30	Very low	99 Å²	99	122.3 Å²	122.3	69%	0.692	75%	0.751	S	S	*	*			cis	-167.4	141.2	-14.2	-105	0	0	0	0	111.4
848	T	30.4	Very low	29.9	Very low	138 Å²	138	125.5 Å²	125.5	85%	0.847	77%	0.77	S	S	*	*			trans	60.7	150.3	150.9	57.2	0	0	0	0	121
849	A	29.5	Very low	29.9	Very low	73 Å²	73	123 Å²	123	60%	0.603	76%	0.763	S	S	*	*			cis	-175.6	152.9	-22.6	0	0	0	0	0	110.4
850	L	29.6	Very low	29.8	Very low	154 Å²	154	123.2 Å²	123.2	81%	0.806	77%	0.766	S	S	*	*			trans	65.8	156.9	158.9	-55.4	154.1	0	0	0	116.7
851	K	29.5	Very low	29.8	Very low	179 Å²	179	125.2 Å²	125.2	78%	0.778	78%	0.775	S	S	*	*			cis	-161.1	153	-21.6	-121.9	-177.6	-176.5	-175.6	0	108.5
852	P	33.3	Very low	29.8	Very low	123 Å²	123	125.5 Å²	125.5	80%	0.799	77%	0.771	S	S	*	*			trans	-105.3	148	172.8	37.3	-31.2	0	0	0	114.2
853	S	29.2	Very low	29.9	Very low	122 Å²	122	132 Å²	132	85%	0.853	77%	0.773	S	S	*	*			trans	-176	137.2	166.8	54.1	0	0	0	0	113.8
854	G	29.7	Very low	29.9	Very low	67 Å²	67	132.5 Å²	132.5	69%	0.691	77%	0.765	S	S	*	*			trans	77.9	158.9	165.1	0	0	0	0	0	117.1
855	D	30.6	Very low	29.9	Very low	158 Å²	158	132.4 Å²	132.4	85%	0.845	77%	0.77	S	S	*	*			cis	-163.6	140.7	-12.9	-114.3	-32.9	0	0	0	113.2
856	A	29	Very low	29.9	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	77%	0.768	S	S	*	*			trans	48.1	178.5	138.4	0	0	0	0	0	124.5
857	L	31.2	Very low	30	Very low	149 Å²	149	132 Å²	132	78%	0.78	76%	0.762	S	S	*	*			trans	77.7	116.8	175.2	-64.1	111.8	0	0	0	116.7
858	L	27.5	Very low	30.2	Very low	157 Å²	157	133.2 Å²	133.2	82%	0.822	76%	0.757	S	S	*	*				78.5	130.9	67.7	-86.1	142.8	0	0	0	112.6
859	G	29.1	Very low	30.2	Very low	59 Å²	59	131.2 Å²	131.2	61%	0.608	74%	0.739	S	S	*	*			cis	-153.4	166.3	0.3	0	0	0	0	0	111.5
860	Q	28.4	Very low	30.3	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	74%	0.736	S	S	*	*				65.9	144.4	100.1	-89.8	-172.9	-15.4	0	0	116.9
861	Q	30.2	Very low	30.4	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	74%	0.735	S	S	*	*			trans	74.6	137	-173.8	-54.6	176.7	-5.1	0	0	113.6
862	L	31.2	Very low	30.5	Very low	147 Å²	147	128 Å²	128	77%	0.77	73%	0.732	S	S	*	*			cis	-151.2	149.6	-14.7	-88	153.1	0	0	0	105.3
863	R	28.9	Very low	30.4	Very low	207 Å²	207	130.9 Å²	130.9	78%	0.781	74%	0.735	S	S	*	*			cis	90.8	135.2	9.9	-158	-167.9	-90.6	-129.8	-1.2	117.2
864	E	30	Very low	30.4	Very low	158 Å²	158	130.5 Å²	130.5	74%	0.738	73%	0.732	S	S	*	*			trans	71.7	96.2	163.6	-84.1	151.7	-143.7	0	0	120.3
865	A	31.1	Very low	30.4	Very low	94 Å²	94	132 Å²	132	78%	0.777	73%	0.732	S	S	*	*			trans	179.3	133.5	131.6	0	0	0	0	0	108.7
866	S	30.5	Very low	30.4	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	73%	0.732	S	S	*	*			cis	81	136.4	21.1	-60.2	0	0	0	0	116.1
867	I	32	Very low	30.5	Very low	128 Å²	128	130 Å²	130	66%	0.656	73%	0.731	S	S	*	*			cis	-167.8	154.6	-22.5	-133.6	171	0	0	0	110.5
868	Q	32.4	Very low	30.5	Very low	124 Å²	124	130.5 Å²	130.5	58%	0.579	73%	0.734	S	S	*	*			trans	44.5	142.5	160.1	-60.7	174.8	28.6	0	0	122.9
869	M	31.1	Very low	30.7	Very low	97 Å²	97	128.2 Å²	128.2	48%	0.478	74%	0.738	S	S	.	*				162.2	169	114.2	-86.2	157.8	-126.5	0	0	112.6	A378 E379	A378-M869 WeakPolarHBondContact CA-SD 3.37Å; E379-M869 PolarHBondContact N-SD 3.42Å
870	K	32.7	Very low	30.7	Very low	120 Å²	120	131.4 Å²	131.4	52%	0.522	75%	0.745	S	S	.	*				-169.2	139.2	-65.4	-140.2	-176.4	173.6	170.7	0	109.3	V380	V380-K870 PolarHBondContact O-NZ 2.68Å
871	N	31	Very low	30.8	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	74%	0.741	S	S	*	*			trans	67.2	157.9	156.4	-62.9	-8.5	0	0	0	122.2
872	G	32.3	Very low	30.9	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	74%	0.739	S	S	*	*			trans	99	93.7	175.5	0	0	0	0	0	113.6
873	Q	30	Very low	30.8	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	75%	0.748	S	S	*	*			cis	81.1	129.6	25.7	-151.8	179.3	23	0	0	114.9
874	S	29.3	Very low	30.7	Very low	114 Å²	114	127 Å²	127	80%	0.797	75%	0.747	S	S	*	*			trans	62.8	147.1	-179.8	42.7	0	0	0	0	117.3
875	S	30.5	Very low	30.6	Very low	98 Å²	98	122.2 Å²	122.2	69%	0.685	73%	0.731	S	S	*	*			cis	-173.6	148.5	-13.3	47.9	0	0	0	0	111.6
876	S	29.4	Very low	30.7	Very low	121 Å²	121	126.9 Å²	126.9	85%	0.846	73%	0.734	S	S	*	*			trans	61.5	153	158.8	71.4	0	0	0	0	117.6
877	A	32.3	Very low	31.1	Very low	78 Å²	78	130.4 Å²	130.4	65%	0.645	74%	0.739	S	S	*	*			cis	-155.9	161.7	19.8	0	0	0	0	0	113.2
878	N	30.6	Very low	31.4	Very low	159 Å²	159	131 Å²	131	85%	0.85	74%	0.739	S	S	*	*			trans	41.7	102.7	146.1	-55.9	2.8	0	0	0	120.3
879	A	32.3	Very low	31.2	Very low	109 Å²	109	130 Å²	130	90%	0.901	74%	0.737	S	S	*	*			trans	-141.8	120.3	139.4	0	0	0	0	0	108.5
880	T	28.8	Very low	31.3	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	75%	0.747	S	S	*	*			trans	-113.9	125.9	-175.4	46.7	0	0	0	0	111.2
881	T	30.8	Very low	31.4	Very low	125 Å²	125	132.8 Å²	132.8	77%	0.767	75%	0.753	S	S	*	*			trans	-177.2	101.6	146.2	30.1	0	0	0	0	105.5
882	E	32.4	Very low	31.6	Very low	180 Å²	180	129 Å²	129	84%	0.841	74%	0.739	S	S	*	*				73.8	108.4	87.9	-73.7	175.9	173.6	0	0	112.4
883	L	27.8	Very low	31.7	Very low	181 Å²	181	129.7 Å²	129.7	95%	0.948	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-81.4	116	173.1	-72.9	159.7	0	0	0	108.1
884	L	27.1	Very low	32	Very low	145 Å²	145	128.3 Å²	128.3	76%	0.759	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-78.1	121.8	166.2	-71	171.8	0	0	0	109.3
885	S	28.8	Very low	32.2	Very low	59 Å²	59	129.3 Å²	129.3	41%	0.413	73%	0.725	S	S	.	*	P	Polyproline II helix	trans	-67.2	145.5	169.1	21.6	0	0	0	0	110.6	E887 E888	S885-E887 PolarHBondContact O-N 3.02Å; S885-E888 PolarHBondContact O-N 2.84Å
886	F	33	Very low	32.4	Very low	191 Å²	191	131.2 Å²	131.2	84%	0.838	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-2.2	178.9	-103.9	-96.6	0	0	0	114.6
887	E	38.8	Very low	32.6	Very low	183 Å²	183	133 Å²	133	86%	0.855	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-1.1	-177.9	-64.4	165.2	129.9	0	0	112.9	S885	S885-E887 PolarHBondContact O-N 3.02Å
888	E	37.6	Very low	32.6	Very low	139 Å²	139	140 Å²	140	65%	0.65	74%	0.738	S	S	*	*	S	Bend	trans	-111.4	11	177.2	-64.6	-173.8	131.6	0	0	113.8	S885 D890	S885-E888 PolarHBondContact O-N 2.84Å; E888-D890 PolarHBondContact O-N 3.15Å
889	L	29.8	Very low	32.5	Very low	104 Å²	104	135.8 Å²	135.8	55%	0.545	73%	0.731	S	S	.	*			trans	-87.6	98.3	171.5	-79.5	170.5	0	0	0	110.3	F891	L889-F891 HydrophobicContact CB-CD2 4.48Å; L889-F891 HydrophobicContact CB-CE2 3.86Å; L889-F891 HydrophobicContact CB-CZ 4.38Å; L889-F891 WeakPolarHBondContact O-CD2 3.16Å; L889-F891 PolarHBondContact O-N 2.98Å
890	D	32.6	Very low	32.3	Very low	129 Å²	129	140.3 Å²	140.3	69%	0.69	73%	0.731	S	S	*	*			trans	-75.9	115.9	174.8	-167	-6.1	0	0	0	110.9	E888 S892	E888-D890 PolarHBondContact O-N 3.15Å; D890-S892 WeakPolarHBondContact OD1-CB 3.35Å; D890-S892 PolarHBondContact OD1-N 3.27Å; D890-S892 VanDerWaalsContact OD1-N 3.09Å; D890-S892 PolarHBondContact OD1-OG 3.22Å
891	F	34.8	Very low	32.5	Very low	146 Å²	146	140 Å²	140	64%	0.64	73%	0.731	S	S	*	*			trans	-93	-4.6	-179	-76.2	-84.9	0	0	0	113.6	L889 A893 F894	L889-F891 HydrophobicContact CB-CD2 4.48Å; L889-F891 HydrophobicContact CB-CE2 3.86Å; L889-F891 HydrophobicContact CB-CZ 4.38Å; L889-F891 WeakPolarHBondContact O-CD2 3.16Å; L889-F891 PolarHBondContact O-N 2.98Å; F891-A893 PolarHBondContact O-N 3.12Å; F891-F894 PolarHBondContact O-N 2.84Å; F891-F894 VanDerWaalsContact O-N 3.15Å
892	S	34.8	Very low	32.5	Very low	71 Å²	71	142.5 Å²	142.5	50%	0.497	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-4.7	-176.8	86.9	0	0	0	0	114.2	D890 F894	D890-S892 WeakPolarHBondContact OD1-CB 3.35Å; D890-S892 PolarHBondContact OD1-N 3.27Å; D890-S892 VanDerWaalsContact OD1-N 3.09Å; D890-S892 PolarHBondContact OD1-OG 3.22Å; S892-F894 PolarHBondContact O-N 3.02Å
893	A	34.4	Very low	32.3	Very low	83 Å²	83	139.1 Å²	139.1	69%	0.686	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-2.5	173.2	0	0	0	0	0	114.2	F891	F891-A893 PolarHBondContact O-N 3.12Å
894	F	35.6	Very low	32.4	Very low	154 Å²	154	135.6 Å²	135.6	68%	0.675	72%	0.719	S	S	*	*	S	Bend	trans	-109.4	-8.5	179.1	-73.4	-81.4	0	0	0	114.9	F891 S892 D896	F891-F894 PolarHBondContact O-N 2.84Å; F891-F894 VanDerWaalsContact O-N 3.15Å; S892-F894 PolarHBondContact O-N 3.02Å; F894-D896 VanDerWaalsContact C-N 3.3Å; F894-D896 PolarHBondContact O-N 3.05Å
895	D	35.1	Very low	32.5	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-13.2	-175.5	-66	-45.8	0	0	0	114.3	L897	D895-L897 PolarHBondContact O-N 3.31Å
896	D	34.8	Very low	32.7	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-2.1	-176.3	-91.4	-34.3	0	0	0	115.1	F894 Y898	F894-D896 VanDerWaalsContact C-N 3.3Å; F894-D896 PolarHBondContact O-N 3.05Å; D896-Y898 PolarHBondContact O-N 2.75Å
897	L	32.1	Very low	32.6	Very low	159 Å²	159	134.3 Å²	134.3	83%	0.832	73%	0.725	S	S	*	*			trans	-93.7	75.9	179.3	-82.4	169.8	0	0	0	112.9	D895 G899	D895-L897 PolarHBondContact O-N 3.31Å; L897-G899 PolarHBondContact O-N 3.27Å
898	Y	32.4	Very low	32.2	Very low	225 Å²	225	132.3 Å²	132.3	88%	0.882	72%	0.72	S	S	*	*			trans	-32.7	128.1	169.3	-78.6	-103.1	0	0	0	114.7	D896	D896-Y898 PolarHBondContact O-N 2.75Å
899	G	29.8	Very low	31.8	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	73%	0.73	S	S	*	*			trans	178.3	-39.1	166.2	0	0	0	0	0	116.5	L897 P901	L897-G899 PolarHBondContact O-N 3.27Å; G899-P901 WeakPolarHBondContact O-CD 2.98Å
900	F	27.1	Very low	31.8	Very low	204 Å²	204	135.4 Å²	135.4	90%	0.895	74%	0.741	S	S	*	*			trans	-88.8	124	-175.7	-85.2	-87.1	0	0	0	112.9	E902	F900-E902 PolarHBondContact O-N 3.22Å
901	P	33.9	Very low	31.6	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	74%	0.744	S	S	*	*			trans	-73.9	109.3	158.1	30.1	-29.8	0	0	0	108.8	G899	G899-P901 WeakPolarHBondContact O-CD 2.98Å
902	E	29.4	Very low	31.7	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	77%	0.77	S	S	*	*			trans	-58.3	155.7	170.7	-95.7	-159.9	126.9	0	0	112.3	F900 S904	F900-E902 PolarHBondContact O-N 3.22Å; E902-S904 PolarHBondContact O-N 3.32Å
903	P	28.6	Very low	31.5	Very low	108 Å²	108	143.9 Å²	143.9	70%	0.701	78%	0.784	S	S	*	*			trans	-69.8	117.9	-162.4	27	-35.2	0	0	0	112.7	V905	P903-V905 PolarHBondContact O-N 3.04Å
904	S	29.6	Very low	31.4	Very low	108 Å²	108	147.1 Å²	147.1	76%	0.755	79%	0.789	S	S	*	*			trans	-72.9	76.5	167.8	66.4	0	0	0	0	110.8	E902 V906	E902-S904 PolarHBondContact O-N 3.32Å; S904-V906 PolarHBondContact O-N 3.04Å; S904-V906 VanDerWaalsContact O-N 3.12Å
905	V	28.8	Very low	31.1	Very low	115 Å²	115	146.7 Å²	146.7	70%	0.697	80%	0.795	S	S	*	*			trans	-60.6	111.5	159.2	178.8	0	0	0	0	106.8	P903	P903-V905 PolarHBondContact O-N 3.04Å
906	V	33.6	Very low	30.9	Very low	126 Å²	126	147.4 Å²	147.4	76%	0.764	80%	0.8	S	S	*	*			trans	-126.2	107.9	172.9	-179	0	0	0	0	107	S904	S904-V906 PolarHBondContact O-N 3.04Å; S904-V906 VanDerWaalsContact O-N 3.12Å
907	D	30.9	Very low	30.7	Very low	126 Å²	126	147.9 Å²	147.9	67%	0.674	80%	0.803	S	S	*	*			trans	-63.3	166.3	-179.9	-60.1	-70.9	0	0	0	113.1
908	D	29.8	Very low	30.6	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	80%	0.801	S	S	*	*			trans	52.1	114.1	157.1	-70.4	-24.8	0	0	0	117.9
909	N	30.4	Very low	30.4	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	80%	0.796	S	S	*	*				-156.5	128.8	86.2	-100.8	-87	0	0	0	111.7
910	L	28.5	Very low	30.5	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	80%	0.802	S	S	*	*			trans	-79.8	168.4	170.3	-163.2	76.4	0	0	0	110.4
911	I	30.1	Very low	30.8	Very low	147 Å²	147	142.5 Å²	142.5	75%	0.754	79%	0.794	S	S	*	*			trans	79.3	124.3	168.5	-48.5	157.5	0	0	0	112.6
912	I	35.5	Very low	30.5	Very low	234 Å²	234	144.7 Å²	144.7	100%	1.2	80%	0.797	S	S	*	*			cis	-107.4	0	14.1	-57.8	172.4	0	0	0	111.3

Retrieved 912 of 912 residues in 291.2 ms (Link to these results)

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