A0A077ZA25_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZA25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 997 aa.

						>A0A077ZA25_TRITR|A0A077ZA25
MKLPVRSGTTEVLESERSRGNGPKLNIGSTITCRPSIRKASQQLLYVVGNDSTKYLATKSCRKCYRTILPRKSEPHLQIVSFSSCENNSSLALVNVDSVFIPVSAAEQPQKQTKFISGEIAEQIPVNNGVVETPNCFTKCVTPRLMIHKNESRFHGANQPPIIHLNTMAVQAASSNNASPIASTVTCSHMQEKQTNEHEFTGLSDCFQKYQELSPCVDSCDMDTVNANYGIYDFENKQYDKPVAMAKKCVSDSNCNSGIFNPSEVSKFSVHVTENNSNGISYNAQNWGTTGTTSVHPIGLSPIVCSAERQHVTAHSLSTTHGSHHISSPVVHHSHDKLLDSSYSCDAPPKSISVLSSIEERAHAGASTSSLQVGHAAKSRPPCRYQALQTDMMDSQLDASAPWAKLNGEDESIISKEKKVENQKAWKGSEQLYAISMNGQKATRNATYSSLAVSGNTDSIAEATARSSDGDIQVSAESQCWNAQGPSQALFQSSLILQLVPSERTSHKTSCHRGSFADQTLVPCFPRKVARTMPLAVDIEPVACSNTQLHPALRTQNIDCLPAVACQNKTTDQWTHEPCELQTNGLPCLPLPHSAARSREATKCNMPNGYVSSCSYNKECSFALEQDKPRLAILKSKIAESENKFGTTGSSQRKSSRCIRKTASLQKMYFLLLKGIFLSPCVDPRLLVDTIVSTLSSENLRSFSKLFEEKMQEVRASAVPLALTSSKRSYGSRFEKQSDGCPNECAPDAQAKNGCPTTETVVPPKASCSSPSASNSTWKEFKQHMSKNKRKMLHKLLKYRIKAKRFFQTDIGTNAFHTLKDDQKEALEQLCCQMAQMVFSSPGSKTCLTESFLDSRKMKRSISKSRKRFQMDQPNDEADEAAILLEPTLPLKLNSSEHNPLAELKDGHGLNHVRLKIRLPFLPPMALTSVTPTDAEETFLYFEESILRGTTSVLWTSNSMISQELQDCKESMLGLAGHTIHYSGTEEQAEEAEFSRT
					

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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	32.2	Very low	29	Very low	238 Å²	238	138.1 Å²	138.1	100%	1.172	75%	0.745	S	S	*	*				0	142.5	0	-66.3	-172.4	-176.8	0	0	107.5
2	K	30.9	Very low	29.1	Very low	195 Å²	195	134.3 Å²	134.3	85%	0.848	73%	0.729	S	S	*	*			cis	-128	166.5	-0.4	-68.3	177.9	178	162.7	0	110.6
3	L	24.4	Very low	29	Very low	142 Å²	142	125.1 Å²	125.1	74%	0.743	68%	0.679	S	S	*	*			trans	-77.9	172.7	164	-83.8	170.7	0	0	0	110.9
4	P	32.7	Very low	28.9	Very low	82 Å²	82	127.1 Å²	127.1	53%	0.532	68%	0.682	S	S	.	*			trans	-91	-177.1	-153.3	40.4	-36.9	0	0	0	113.5	K736	P4-K736 HydrophobicContact CG-CD 3.97Å; P4-K736 HydrophobicContact CG-CG 4.38Å
5	V	27.3	Very low	28.6	Very low	122 Å²	122	125.8 Å²	125.8	74%	0.739	69%	0.686	S	S	*	*			trans	-137.9	119.2	166.2	176.7	0	0	0	0	109.4
6	R	32.8	Very low	28.5	Very low	222 Å²	222	125.3 Å²	125.3	84%	0.838	68%	0.678	S	S	*	*			trans	60.8	131.1	161	-65	174.6	165.5	164.1	-9.3	117.6
7	S	27.1	Very low	28.5	Very low	89 Å²	89	129.3 Å²	129.3	62%	0.622	68%	0.681	S	S	*	*			cis	80.6	117	34.8	83.3	0	0	0	0	114.9
8	G	30.2	Very low	28.3	Very low	62 Å²	62	128.7 Å²	128.7	64%	0.639	69%	0.689	S	S	*	*			trans	-86	179.7	163.3	0	0	0	0	0	113.2
9	T	26.7	Very low	28.4	Very low	134 Å²	134	129.8 Å²	129.8	82%	0.822	68%	0.682	S	S	*	*			trans	-94	167.7	157.3	58.6	0	0	0	0	107.9
10	T	28.7	Very low	28.6	Very low	99 Å²	99	125.6 Å²	125.6	61%	0.607	67%	0.672	S	S	*	*			cis	-152.7	-158.7	10.7	-20.2	0	0	0	0	109.8
11	E	26.5	Very low	28.6	Very low	134 Å²	134	128 Å²	128	63%	0.626	69%	0.685	S	S	*	*			trans	-34.3	146.4	173.2	-65.3	102.4	-165.2	0	0	116.4	N743	E11-N743 VanDerWaalsContact CB-ND2 3.32Å; E11-N743 WeakPolarHBondContact CB-ND2 3.32Å; E11-N743 VanDerWaalsContact CG-ND2 3.31Å; E11-N743 WeakPolarHBondContact CG-ND2 3.4Å
12	V	30	Very low	28.3	Very low	92 Å²	92	119.9 Å²	119.9	56%	0.558	66%	0.662	S	S	*	*				-163.2	159	80.4	155.2	0	0	0	0	111.3	P742 N743	V12-P742 WeakPolarHBondContact O-CA 3.42Å; V12-N743 VanDerWaalsContact C-CB 3.48Å; V12-N743 WeakPolarHBondContact CA-ND2 3.33Å
13	L	27.1	Very low	28.3	Very low	15 Å²	15	116 Å²	116	8%	0.079	66%	0.657	C	S	.	*			trans	-110.6	153.8	164.6	-140.5	-159.1	0	0	0	109	S15 P742 N743 E744	L13-S15 PolarHBondContact O-N 3.09Å; L13-P742 HydrophobicContact CB-CB 4.15Å; L13-P742 HydrophobicContact CD2-CB 3.62Å; L13-P742 HydrophobicContact CD2-CG 4.35Å; L13-P742 HydrophobicContact CG-CB 3.68Å; L13-N743 HydrophobicContact CB-CB 4.02Å; L13-N743 WeakPolarHBondContact CD1-O 3.3Å; L13-N743 VanDerWaalsContact CG-O 3.27Å; L13-N743 WeakPolarHBondContact CG-O 3.38Å; L13-E744 HydrophobicContact CB-CB 3.62Å; L13-E744 HydrophobicContact CB-CG 4Å; L13-E744 VanDerWaalsContact CB-OE2 3.31Å; L13-E744 WeakPolarHBondContact CB-OE2 3.32Å; L13-E744 HydrophobicContact CD1-CB 3.7Å; L13-E744 HydrophobicContact CG-CB 4.14Å; L13-E744 PolarHBondContact N-OE1 3.01Å
14	E	28.1	Very low	28.7	Very low	153 Å²	153	118.2 Å²	118.2	72%	0.715	66%	0.66	S	S	*	*			trans	35.9	55.6	156.4	-78.9	151	-154	0	0	118.8	E16	E14-E16 VanDerWaalsContact C-N 3.33Å
15	S	25.1	Very low	28.3	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	67%	0.674	S	S	*	*				-71.9	102.1	109.3	171.7	0	0	0	0	105.2	L13	L13-S15 PolarHBondContact O-N 3.09Å
16	E	26.9	Very low	28.3	Very low	117 Å²	117	122.8 Å²	122.8	55%	0.547	68%	0.675	S	S	.	*				-138.1	164.5	51.6	-67	-169.5	109.7	0	0	112.7	E14	E14-E16 VanDerWaalsContact C-N 3.33Å
17	R	27.6	Very low	28.2	Very low	194 Å²	194	119.4 Å²	119.4	73%	0.732	67%	0.672	S	S	*	*			cis	-159.7	132.8	12.7	-137.2	167.8	-125.6	172.7	6.2	111.2
18	S	25.4	Very low	28.2	Very low	118 Å²	118	118.5 Å²	118.5	83%	0.825	68%	0.677	S	S	*	*			trans	-151.6	93.5	155.8	51.5	0	0	0	0	110.8
19	R	29.7	Very low	28	Very low	150 Å²	150	120.4 Å²	120.4	57%	0.566	68%	0.681	S	S	*	*			trans	-151.8	111.5	175.3	-80.3	-170.3	171.5	135.2	-0.1	109.2	F260 N261	R19-F260 VanDerWaalsContact NH1-CE2 3.31Å; R19-N261 WeakPolarHBondContact CA-OD1 3.39Å
20	G	33.2	Very low	27.8	Very low	46 Å²	46	120.1 Å²	120.1	47%	0.474	68%	0.679	S	S	.	*			trans	66.4	153.9	-165.5	0	0	0	0	0	112.6	N261	G20-N261 PolarHBondContact N-OD1 2.76Å
21	N	27.9	Very low	27.9	Very low	177 Å²	177	121.6 Å²	121.6	95%	0.947	68%	0.682	S	S	*	*			cis	57.9	46.8	-0.9	-72.6	3.9	0	0	0	117.2
22	G	25.5	Very low	27.8	Very low	66 Å²	66	119.4 Å²	119.4	68%	0.68	68%	0.678	S	S	*	*				92.1	-179.2	127.6	0	0	0	0	0	119.3
23	P	32.2	Very low	27.4	Very low	115 Å²	115	119.2 Å²	119.2	75%	0.747	68%	0.679	S	S	*	*			cis	-134.1	179.3	-8.9	40.4	-24.4	0	0	0	115.2
24	K	31.6	Very low	27.3	Very low	188 Å²	188	126.9 Å²	126.9	82%	0.817	71%	0.707	S	S	*	*			trans	74.4	119.5	175.3	-55.7	179.8	179.9	-180	0	114.8
25	L	25.6	Very low	27.3	Very low	156 Å²	156	121 Å²	121	82%	0.817	68%	0.682	S	S	*	*			cis	82.9	105.4	46.3	-69.2	168.8	0	0	0	114.2
26	N	26.6	Very low	27.2	Very low	143 Å²	143	119.3 Å²	119.3	77%	0.765	67%	0.671	S	S	*	*			trans	151	146.8	137.2	-77.4	-8.2	0	0	0	110.6
27	I	29.7	Very low	27.1	Very low	151 Å²	151	118.1 Å²	118.1	77%	0.774	67%	0.667	S	S	*	*			cis	-156.7	143.9	-14.3	-110.6	161	0	0	0	107.3
28	G	27.5	Very low	27	Very low	71 Å²	71	120.1 Å²	120.1	73%	0.732	67%	0.674	S	S	*	*			trans	75.1	151.9	161	0	0	0	0	0	118.6
29	S	26.5	Very low	27.2	Very low	101 Å²	101	124.2 Å²	124.2	71%	0.706	68%	0.677	S	S	*	*			cis	-168.3	128.1	-10.4	50.1	0	0	0	0	113.2
30	T	23.5	Very low	27.2	Very low	128 Å²	128	121.4 Å²	121.4	79%	0.785	69%	0.687	S	S	*	*			trans	61.5	153.2	155	61.7	0	0	0	0	117.3
31	I	29.9	Very low	27	Very low	130 Å²	130	124.3 Å²	124.3	67%	0.667	70%	0.699	S	S	*	*			cis	-149.3	125	26.4	-68.7	174.5	0	0	0	105.1
32	T	23.3	Very low	26.9	Very low	88 Å²	88	124.5 Å²	124.5	54%	0.54	70%	0.695	S	S	.	*				78.7	117.4	61.5	65	0	0	0	0	118.9	D398	T32-D398 VanDerWaalsContact CA-OD1 3.27Å; T32-D398 WeakPolarHBondContact CA-OD1 3.39Å; T32-D398 VanDerWaalsContact CA-OD2 3.25Å; T32-D398 WeakPolarHBondContact CA-OD2 3.44Å; T32-D398 PolarHBondContact N-OD1 3.27Å; T32-D398 VanDerWaalsContact N-OD1 3.17Å; T32-D398 PolarHBondContact N-OD2 3.16Å
33	C	22.3	Very low	27.1	Very low	88 Å²	88	129.9 Å²	129.9	60%	0.595	70%	0.702	S	S	*	*			trans	94.2	94.7	167	-64.8	0	0	0	0	122	D398	C33-D398 PolarHBondContact N-OD1 3.4Å
34	R	26.3	Very low	26.8	Very low	177 Å²	177	129.6 Å²	129.6	67%	0.668	69%	0.694	S	S	*	*			trans	129	141.1	139.5	-77	-172	171.1	-163.5	-3.6	117.5	L397 D398	R34-L397 VanDerWaalsContact C-C 3.41Å; R34-L397 CarbonylContact O-C 3.49Å; R34-D398 CarbonylContact O-C 3.58Å; R34-D398 WeakPolarHBondContact O-CA 3.46Å; R34-D398 PolarHBondContact O-N 2.92Å
35	P	26.8	Very low	26.6	Very low	29 Å²	29	128.7 Å²	128.7	19%	0.188	70%	0.697	C	S	.	*			trans	-104	-169.8	-168.2	46.8	-36.2	0	0	0	111.7	D394 S395 Q396 L397	P35-D394 HydrophobicContact CG-CB 3.91Å; P35-D394 VanDerWaalsContact CG-OD1 3.24Å; P35-D394 WeakPolarHBondContact CG-OD1 3.15Å; P35-S395 WeakPolarHBondContact CB-O 3.34Å; P35-S395 VanDerWaalsContact CG-O 3.29Å; P35-S395 WeakPolarHBondContact CG-O 3.35Å; P35-Q396 HydrophobicContact CG-CB 4.4Å; P35-Q396 HydrophobicContact CG-CG 4.04Å; P35-L397 VanDerWaalsContact CA-O 3.24Å; P35-L397 WeakPolarHBondContact CA-O 3.26Å; P35-L397 WeakPolarHBondContact CB-O 3.32Å
36	S	22.3	Very low	26.6	Very low	73 Å²	73	127.2 Å²	127.2	51%	0.51	68%	0.681	S	S	.	*				158.9	154.4	125.8	52.3	0	0	0	0	110.1
37	I	25.9	Very low	26.7	Very low	92 Å²	92	127 Å²	127	47%	0.472	69%	0.685	S	S	.	*			trans	65.9	111.4	167.2	-56.7	163.8	0	0	0	116.1	M393	I37-M393 HydrophobicContact CB-CE 4.48Å; I37-M393 HydrophobicContact CB-SD 4.48Å; I37-M393 HydrophobicContact CG1-CE 3.78Å; I37-M393 HydrophobicContact CG1-CG 4.27Å; I37-M393 HydrophobicContact CG1-SD 3.77Å; I37-M393 PolarHBondContact N-SD 2.87Å
38	R	26.2	Very low	26.6	Very low	235 Å²	235	123 Å²	123	89%	0.887	67%	0.667	S	S	*	*			trans	80.5	146.5	174.7	-56.6	154.8	-179.2	-178.3	2.3	115.2
39	K	27.9	Very low	26.5	Very low	204 Å²	204	123.1 Å²	123.1	89%	0.887	67%	0.668	S	S	*	*			cis	-108.8	136	4.1	-65.2	174.2	-175.9	171.7	0	111.3
40	A	31	Very low	26.8	Very low	92 Å²	92	124.6 Å²	124.6	76%	0.76	67%	0.668	S	S	*	*			trans	-66.4	161.6	161.7	0	0	0	0	0	110.5
41	S	29.6	Very low	26.9	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	65%	0.65	S	S	*	*			trans	-54.9	139.7	-179.6	39.9	0	0	0	0	112.9	Q43	S41-Q43 PolarHBondContact O-N 2.94Å
42	Q	25.9	Very low	26.8	Very low	181 Å²	181	117.6 Å²	117.6	85%	0.846	63%	0.631	S	S	*	*			trans	-74.9	91.4	170.4	-69	171.5	-81.1	0	0	108.9	L44	Q42-L44 PolarHBondContact O-N 3.36Å
43	Q	28.5	Very low	27	Very low	179 Å²	179	115.5 Å²	115.5	84%	0.836	62%	0.618	S	S	*	*			trans	-66.9	99.6	165.4	-79.6	-173.2	-18.7	0	0	109.3	S41 L45	S41-Q43 PolarHBondContact O-N 2.94Å; Q43-L45 PolarHBondContact O-N 2.83Å
44	L	25.5	Very low	27.4	Very low	109 Å²	109	118 Å²	118	57%	0.571	62%	0.619	S	S	*	*			trans	-74.8	103.8	172.7	-74.1	156	0	0	0	109	Q42 Y46	Q42-L44 PolarHBondContact O-N 3.36Å; L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 HydrophobicContact CB-CD2 3.81Å; L44-Y46 HydrophobicContact CB-CE2 3.56Å; L44-Y46 HydrophobicContact CD1-CE2 3.9Å; L44-Y46 HydrophobicContact CD2-CE2 4.32Å; L44-Y46 HydrophobicContact CG-CE2 4.13Å; L44-Y46 PolarHBondContact O-N 3.45Å
45	L	27.7	Very low	27.4	Very low	169 Å²	169	113.2 Å²	113.2	89%	0.885	60%	0.601	S	S	*	*			trans	-74.3	82.8	168.3	-84	160.8	0	0	0	109.7	Q43	Q43-L45 PolarHBondContact O-N 2.83Å
46	Y	25.5	Very low	27.5	Very low	126 Å²	126	119.6 Å²	119.6	49%	0.494	63%	0.633	S	S	.	*			trans	-78.9	124.9	166.3	-71.9	-71.2	0	0	0	110.1	L44 V48 Y55	L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 HydrophobicContact CB-CD2 3.81Å; L44-Y46 HydrophobicContact CB-CE2 3.56Å; L44-Y46 HydrophobicContact CD1-CE2 3.9Å; L44-Y46 HydrophobicContact CD2-CE2 4.32Å; L44-Y46 HydrophobicContact CG-CE2 4.13Å; L44-Y46 PolarHBondContact O-N 3.45Å; Y46-V48 HydrophobicContact CD1-CG2 4.47Å; Y46-Y55 HydrophobicContact CE1-CE1 4.45Å
47	V	28.7	Very low	27.8	Very low	137 Å²	137	118.1 Å²	118.1	83%	0.83	63%	0.625	S	S	*	*			trans	-125.3	91.5	166.2	179.1	0	0	0	0	106
48	V	28.3	Very low	27.9	Very low	67 Å²	67	119.9 Å²	119.9	41%	0.406	64%	0.64	S	S	.	*			trans	-140.9	114.1	-175.1	-170.5	0	0	0	0	110.3	Y46 T53	Y46-V48 HydrophobicContact CD1-CG2 4.47Å; V48-T53 HydrophobicContact CB-CG2 4.41Å; V48-T53 HydrophobicContact CG1-CG2 4.07Å; V48-T53 HydrophobicContact CG2-CG2 3.69Å
49	G	24.5	Very low	27.8	Very low	74 Å²	74	114 Å²	114	76%	0.763	62%	0.621	S	S	*	*			trans	-158.3	129.8	159	0	0	0	0	0	107.9
50	N	33.3	Very low	27.7	Very low	132 Å²	132	109.8 Å²	109.8	71%	0.706	62%	0.617	S	S	*	*	S	Bend	cis	-144.9	55.1	-25.9	-140	17.5	0	0	0	111.4
51	D	25.4	Very low	27.5	Very low	76 Å²	76	111.1 Å²	111.1	41%	0.406	62%	0.619	S	S	.	*	S	Bend	trans	-153.6	107	166.1	-147.9	-2.4	0	0	0	109.2	N753 G754	D51-N753 PolarHBondContact OD2-N 3.34Å; D51-G754 PolarHBondContact OD2-N 2.87Å
52	S	28.4	Very low	27.2	Very low	36 Å²	36	117.2 Å²	117.2	25%	0.252	63%	0.626	S	S	.	*			trans	76.6	102.4	-173.8	72.1	0	0	0	0	119.7	K54 A749	S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 3.29Å; S52-A749 WeakPolarHBondContact CB-O 3.35Å
53	T	27.4	Very low	27.2	Very low	44 Å²	44	115.8 Å²	115.8	27%	0.27	62%	0.617	S	S	.	*			trans	-74.6	47.4	-177.7	-35	0	0	0	0	114.6	V48 Y55 D748 A749 Q750	V48-T53 HydrophobicContact CB-CG2 4.41Å; V48-T53 HydrophobicContact CG1-CG2 4.07Å; V48-T53 HydrophobicContact CG2-CG2 3.69Å; T53-Y55 HydrophobicContact CG2-CE2 4.27Å; T53-Y55 WeakPolarHBondContact O-CD2 3.07Å; T53-Y55 PolarHBondContact O-N 2.96Å; T53-D748 CarbonylContact O-C 3.54Å; T53-A749 PolarHBondContact O-N 3.03Å; T53-Q750 PolarHBondContact OG1-OE1 2.88Å
54	K	29.9	Very low	27.1	Very low	141 Å²	141	112.6 Å²	112.6	61%	0.613	61%	0.614	S	S	*	*			trans	-77.6	112.4	-160.6	-140.5	152.6	-168.7	154	0	116.7	S52 D748 Q750	S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 3.29Å; K54-D748 CarbonylContact C-O 3.3Å; K54-D748 VanDerWaalsContact CA-O 3.31Å; K54-D748 WeakPolarHBondContact CA-O 3.24Å; K54-Q750 PolarHBondContact NZ-O 3.31Å
55	Y	27.5	Very low	27	Very low	75 Å²	75	112.1 Å²	112.1	29%	0.294	61%	0.605	S	S	.	*			trans	-73.7	129.7	-170.7	-68	-138.3	0	0	0	111.7	Y46 T53 A57 P747 D748	Y46-Y55 HydrophobicContact CE1-CE1 4.45Å; T53-Y55 HydrophobicContact CG2-CE2 4.27Å; T53-Y55 WeakPolarHBondContact O-CD2 3.07Å; T53-Y55 PolarHBondContact O-N 2.96Å; Y55-A57 PolarHBondContact O-N 3.13Å; Y55-P747 HydrophobicContact CD1-CB 3.79Å; Y55-P747 HydrophobicContact CD1-CG 3.58Å; Y55-P747 HydrophobicContact CD2-CB 4.2Å; Y55-P747 HydrophobicContact CE1-CB 3.69Å; Y55-P747 HydrophobicContact CE1-CG 3.58Å; Y55-P747 HydrophobicContact CE2-CB 4.17Å; Y55-P747 HydrophobicContact CG-CB 4.02Å; Y55-P747 HydrophobicContact CG-CG 4.24Å; Y55-D748 HydrophobicContact CD2-CB 4.1Å; Y55-D748 WeakPolarHBondContact CD2-O 3.38Å; Y55-D748 HydrophobicContact CE2-CB 3.72Å; Y55-D748 PolarHBondContact N-O 2.95Å; Y55-D748 PolarHBondContact OH-OD2 2.89Å
56	L	28.8	Very low	27	Very low	163 Å²	163	114.5 Å²	114.5	85%	0.853	60%	0.602	S	S	*	*			trans	-89.3	104.8	171.8	-99.8	165.8	0	0	0	111.1	T58	L56-T58 PolarHBondContact O-N 3.4Å
57	A	28	Very low	27.2	Very low	42 Å²	42	114.9 Å²	114.9	35%	0.347	62%	0.618	S	S	.	*			trans	-56.8	105.9	177.8	0	0	0	0	0	113.5	Y55 K59 C745 A746	Y55-A57 PolarHBondContact O-N 3.13Å; A57-K59 PolarHBondContact O-N 3.44Å; A57-C745 VanDerWaalsContact CA-O 3.23Å; A57-C745 WeakPolarHBondContact CA-O 3.44Å; A57-A746 HydrophobicContact CB-CB 3.98Å
58	T	27.3	Very low	27.1	Very low	130 Å²	130	115.8 Å²	115.8	80%	0.798	62%	0.617	S	S	*	*			trans	-78.5	50.1	-178.8	46.2	0	0	0	0	113.7	L56	L56-T58 PolarHBondContact O-N 3.4Å
59	K	24.4	Very low	27.1	Very low	111 Å²	111	119.6 Å²	119.6	48%	0.483	63%	0.634	S	S	.	*			trans	-73.8	135.8	167.6	-91.8	-175.7	178.9	168.8	0	111.6	A57 C61 P742 N743 E744	A57-K59 PolarHBondContact O-N 3.44Å; K59-C61 PolarHBondContact O-N 2.74Å; K59-P742 PolarHBondContact NZ-O 2.91Å; K59-N743 PolarHBondContact NZ-O 3.12Å; K59-E744 WeakPolarHBondContact CD-O 3.21Å; K59-E744 WeakPolarHBondContact CE-O 3.46Å; K59-E744 WeakPolarHBondContact CG-O 3.46Å
60	S	25.7	Very low	27.2	Very low	116 Å²	116	121.4 Å²	121.4	81%	0.811	63%	0.632	S	S	*	*			trans	-75.4	72.3	-151.5	48.4	0	0	0	0	115.5	R62	S60-R62 PolarHBondContact O-N 3.42Å
61	C	27.4	Very low	26.9	Very low	119 Å²	119	126.3 Å²	126.3	80%	0.804	64%	0.641	S	S	*	*			trans	-69.6	84.2	175.9	-83.2	0	0	0	0	113.5	K59 K63	K59-C61 PolarHBondContact O-N 2.74Å; C61-K63 PolarHBondContact O-N 3.4Å
62	R	24.5	Very low	27	Very low	234 Å²	234	132.5 Å²	132.5	88%	0.883	66%	0.664	S	S	*	*			trans	-58.6	75.4	155.6	-78.1	179.9	162.4	-178.3	-5.7	110.9	S60	S60-R62 PolarHBondContact O-N 3.42Å
63	K	24.8	Very low	27	Very low	151 Å²	151	135.8 Å²	135.8	66%	0.657	69%	0.687	S	S	*	*			trans	-178.3	99.9	163.3	-91.4	131.6	-159.1	152	0	111.6	C61 Y65	C61-K63 PolarHBondContact O-N 3.4Å; K63-Y65 HydrophobicContact CB-CD2 4.18Å; K63-Y65 HydrophobicContact CB-CE2 3.6Å; K63-Y65 HydrophobicContact CG-CE2 3.91Å; K63-Y65 PolarHBondContact O-N 3.17Å
64	C	25.4	Very low	27.1	Very low	113 Å²	113	142.6 Å²	142.6	76%	0.764	72%	0.716	S	S	*	*			trans	-75.8	101.4	172.4	-58.5	0	0	0	0	111.8	Q808	C64-Q808 PolarHBondContact O-NE2 3.49Å
65	Y	23.6	Very low	27	Very low	98 Å²	98	140.5 Å²	140.5	38%	0.384	72%	0.717	S	S	.	*			trans	-102.5	116.6	164.4	-65.3	-64.1	0	0	0	109.8	K63 T67 R805	K63-Y65 HydrophobicContact CB-CD2 4.18Å; K63-Y65 HydrophobicContact CB-CE2 3.6Å; K63-Y65 HydrophobicContact CG-CE2 3.91Å; K63-Y65 PolarHBondContact O-N 3.17Å; Y65-T67 PolarHBondContact O-N 3.26Å; Y65-R805 HydrophobicContact CE1-CG 3.63Å; Y65-R805 VanDerWaalsContact CZ-CZ 3.41Å; Y65-R805 VanDerWaalsContact CZ-NH2 3.33Å; Y65-R805 WeakPolarHBondContact OH-CD 3.16Å; Y65-R805 WeakPolarHBondContact OH-CG 3.31Å; Y65-R805 PolarHBondContact OH-NE 2.93Å; Y65-R805 PolarHBondContact OH-NH1 3.13Å; Y65-R805 PolarHBondContact OH-NH2 2.89Å
66	R	28.8	Very low	26.9	Very low	219 Å²	219	145.4 Å²	145.4	83%	0.826	74%	0.742	S	S	*	*			trans	-63.5	107.1	165.6	-73.4	-172.8	178.1	176.3	-0.2	108.9
67	T	28.4	Very low	26.8	Very low	135 Å²	135	145.3 Å²	145.3	83%	0.828	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62.4	152.1	165.8	-52.2	0	0	0	0	109.4	Y65	Y65-T67 PolarHBondContact O-N 3.26Å
68	I	27.4	Very low	26.7	Very low	156 Å²	156	149.6 Å²	149.6	80%	0.8	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-102.4	131.4	-174.2	-61.1	172.4	0	0	0	109
69	L	27.4	Very low	26.6	Very low	146 Å²	146	150.9 Å²	150.9	76%	0.764	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.3	137.1	-169.9	-70.8	164.2	0	0	0	114.7
70	P	26.6	Very low	26.6	Very low	113 Å²	113	150.4 Å²	150.4	73%	0.734	76%	0.761	S	S	*	*	P	Polyproline II helix		-68.5	134.6	129.2	32.8	-29	0	0	0	108.1
71	R	27.4	Very low	26.5	Very low	234 Å²	234	150 Å²	150	88%	0.883	76%	0.758	S	S	*	*			cis	68.1	58.6	22.6	-64.7	-166.5	168.2	-156.5	-2.8	115.8
72	K	27.6	Very low	26.4	Very low	206 Å²	206	153.5 Å²	153.5	90%	0.896	76%	0.76	S	S	*	*				-150.3	173.6	120.1	-107.5	175	-178.2	-171.5	0	109.9
73	S	28.5	Very low	26.5	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	76%	0.756	S	S	*	*			trans	-65.8	125.2	-168.4	45.5	0	0	0	0	114.8
74	E	29.2	Very low	26.5	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.874	76%	0.763	S	S	*	*			trans	-163.6	143.4	146.8	-110.7	146.2	-140.5	0	0	109.3
75	P	27.5	Very low	26.6	Very low	98 Å²	98	146.8 Å²	146.8	64%	0.636	77%	0.767	S	S	*	*			trans	-80.6	176.1	171.2	31.6	-29.7	0	0	0	111.8
76	H	26.7	Very low	26.7	Very low	177 Å²	177	150.2 Å²	150.2	82%	0.819	79%	0.787	S	S	*	*			trans	68	82.5	176.5	-43.6	-74.6	0	0	0	116.1
77	L	26.1	Very low	26.7	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	78%	0.783	S	S	*	*			trans	-125.4	90.9	159.2	-102.4	168.1	0	0	0	109.2
78	Q	26.6	Very low	26.6	Very low	133 Å²	133	147.4 Å²	147.4	62%	0.621	78%	0.784	S	S	*	*			trans	-80.1	134.5	167.5	-85.6	-179.7	-28	0	0	109.9
79	I	24.7	Very low	26.5	Very low	156 Å²	156	145.6 Å²	145.6	80%	0.8	78%	0.784	S	S	*	*			trans	-105	98.7	170.2	-58.8	175.5	0	0	0	106.8
80	V	24.1	Very low	26.4	Very low	101 Å²	101	144 Å²	144	61%	0.612	79%	0.786	S	S	*	*			trans	-82.7	123.5	173.1	-170.5	0	0	0	0	108.5	F82	V80-F82 HydrophobicContact CG1-CD2 3.85Å; V80-F82 HydrophobicContact CG1-CE2 3.4Å; V80-F82 VanDerWaalsContact CG1-CE2 3.4Å; V80-F82 HydrophobicContact CG1-CZ 3.8Å
81	S	24.4	Very low	26.3	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	80%	0.795	S	S	*	*			trans	-118.9	94	-178.8	173.7	0	0	0	0	110
82	F	25.5	Very low	26.1	Very low	193 Å²	193	140 Å²	140	85%	0.846	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-80.9	116.8	171.2	-69.7	-73.1	0	0	0	110.9	V80	V80-F82 HydrophobicContact CG1-CD2 3.85Å; V80-F82 HydrophobicContact CG1-CE2 3.4Å; V80-F82 VanDerWaalsContact CG1-CE2 3.4Å; V80-F82 HydrophobicContact CG1-CZ 3.8Å
83	S	26.4	Very low	26	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-96.9	118.5	157.4	53.5	0	0	0	0	108.4
84	S	24.2	Very low	25.8	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-75.1	143.3	-172	54.1	0	0	0	0	114.5
85	C	27.6	Very low	25.6	Very low	127 Å²	127	134.9 Å²	134.9	86%	0.858	77%	0.769	S	S	*	*				-154.6	146.8	127.5	-98.5	0	0	0	0	109.4
86	E	25.2	Very low	25.5	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.794	76%	0.764	S	S	*	*			trans	-72.9	158.6	169.1	-53.1	116	156.6	0	0	109.8
87	N	28.3	Very low	25.4	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	75%	0.746	S	S	*	*			cis	-144.8	171.7	20.3	-92.6	-65.3	0	0	0	111.8
88	N	26.6	Very low	25.3	Very low	157 Å²	157	125.9 Å²	125.9	84%	0.84	73%	0.732	S	S	*	*			trans	55.5	60.3	153.5	-63.3	-5.7	0	0	0	118.4
89	S	25.3	Very low	25.2	Very low	117 Å²	117	124.3 Å²	124.3	82%	0.818	73%	0.731	S	S	*	*			trans	-147.1	162.3	145.1	44.3	0	0	0	0	110.7
90	S	25.1	Very low	25.2	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	71%	0.712	S	S	*	*			trans	-69.4	168.2	-170.5	45.7	0	0	0	0	113.9	A92	S90-A92 PolarHBondContact O-N 3.29Å
91	L	25.5	Very low	25.2	Very low	179 Å²	179	122.5 Å²	122.5	94%	0.937	72%	0.715	S	S	*	*			trans	-53.3	91.4	170.4	-88.7	150.6	0	0	0	111.8	L93	L91-L93 PolarHBondContact O-N 2.95Å
92	A	22.9	Very low	25.4	Very low	83 Å²	83	122.2 Å²	122.2	69%	0.686	71%	0.71	S	S	*	*			trans	-76.5	99.3	167.4	0	0	0	0	0	109.1	S90 V94	S90-A92 PolarHBondContact O-N 3.29Å; A92-V94 PolarHBondContact O-N 2.88Å
93	L	25.2	Very low	25.6	Very low	156 Å²	156	119.8 Å²	119.8	82%	0.817	71%	0.711	S	S	*	*			trans	-63.5	86.1	162.6	-95.7	161.3	0	0	0	108.8	L91 N95	L91-L93 PolarHBondContact O-N 2.95Å; L93-N95 VanDerWaalsContact C-N 3.29Å; L93-N95 PolarHBondContact O-N 3.15Å
94	V	24.8	Very low	25.5	Very low	116 Å²	116	119.7 Å²	119.7	70%	0.703	71%	0.71	S	S	*	*			trans	-69.1	92.5	171.1	-177.8	0	0	0	0	107.4	A92 V96	A92-V94 PolarHBondContact O-N 2.88Å; V94-V96 HydrophobicContact CG1-CG2 4.15Å; V94-V96 WeakPolarHBondContact O-CG2 3.2Å; V94-V96 PolarHBondContact O-N 3.18Å
95	N	25.1	Very low	25.6	Very low	119 Å²	119	119 Å²	119	64%	0.636	71%	0.712	S	S	*	*			trans	-69.8	91.8	179.8	-157.4	46.6	0	0	0	109	L93 D97	L93-N95 VanDerWaalsContact C-N 3.29Å; L93-N95 PolarHBondContact O-N 3.15Å; N95-D97 PolarHBondContact ND2-OD2 3.47Å; N95-D97 PolarHBondContact O-N 2.66Å
96	V	25.8	Very low	25.6	Very low	87 Å²	87	118 Å²	118	53%	0.527	71%	0.712	S	S	.	*			trans	-75.3	76.6	-179.7	-171.7	0	0	0	0	109.5	V94 S98	V94-V96 HydrophobicContact CG1-CG2 4.15Å; V94-V96 WeakPolarHBondContact O-CG2 3.2Å; V94-V96 PolarHBondContact O-N 3.18Å; V96-S98 PolarHBondContact O-N 2.87Å
97	D	24.1	Very low	25.8	Very low	82 Å²	82	119.5 Å²	119.5	44%	0.439	72%	0.719	S	S	.	*			trans	-65	114.2	175.2	-96	-55.7	0	0	0	110.8	N95	N95-D97 PolarHBondContact ND2-OD2 3.47Å; N95-D97 PolarHBondContact O-N 2.66Å
98	S	24.4	Very low	25.8	Very low	79 Å²	79	121.6 Å²	121.6	55%	0.552	73%	0.725	S	S	*	*			trans	70.4	115.2	178.6	75.4	0	0	0	0	117.9	V96	V96-S98 PolarHBondContact O-N 2.87Å
99	V	24.9	Very low	26	Very low	99 Å²	99	119.3 Å²	119.3	60%	0.6	72%	0.718	S	S	*	*			trans	-93.8	111	156.5	174.9	0	0	0	0	107.7	I101	V99-I101 PolarHBondContact O-N 3.44Å
100	F	24	Very low	26.1	Very low	90 Å²	90	121.9 Å²	121.9	40%	0.395	72%	0.717	S	S	.	*			trans	-73.7	117.9	-176.3	-160.7	-65.2	0	0	0	111.4	P102 C140 T142	F100-P102 HydrophobicContact CD1-CB 4.47Å; F100-P102 HydrophobicContact CD1-CG 3.82Å; F100-P102 HydrophobicContact CE1-CB 4.12Å; F100-P102 HydrophobicContact CE1-CG 3.89Å; F100-C140 HydrophobicContact CD2-CB 4.21Å; F100-C140 HydrophobicContact CE2-CB 3.47Å; F100-C140 VanDerWaalsContact CE2-CB 3.47Å; F100-C140 HydrophobicContact CZ-CB 3.89Å; F100-T142 HydrophobicContact CD1-CG2 4.07Å; F100-T142 HydrophobicContact CD2-CG2 3.56Å; F100-T142 WeakPolarHBondContact CD2-OG1 3.41Å; F100-T142 HydrophobicContact CE1-CG2 3.97Å; F100-T142 HydrophobicContact CE2-CG2 3.46Å; F100-T142 VanDerWaalsContact CE2-CG2 3.46Å; F100-T142 HydrophobicContact CG-CG2 3.87Å; F100-T142 HydrophobicContact CZ-CG2 3.66Å
101	I	24.2	Very low	26.5	Very low	130 Å²	130	124.7 Å²	124.7	67%	0.667	72%	0.715	S	S	*	*			trans	-109.6	108.4	169.8	-58.5	177.2	0	0	0	108.3	V99 V103	V99-I101 PolarHBondContact O-N 3.44Å; I101-V103 PolarHBondContact O-N 3.05Å; I101-V103 VanDerWaalsContact O-N 3.16Å
102	P	29.1	Very low	26.7	Very low	101 Å²	101	124.9 Å²	124.9	66%	0.656	71%	0.711	S	S	*	*			trans	-69.2	112.3	179.3	-17.9	31.1	0	0	0	111.9	F100	F100-P102 HydrophobicContact CD1-CB 4.47Å; F100-P102 HydrophobicContact CD1-CG 3.82Å; F100-P102 HydrophobicContact CE1-CB 4.12Å; F100-P102 HydrophobicContact CE1-CG 3.89Å
103	V	28.2	Very low	27.1	Very low	141 Å²	141	126.1 Å²	126.1	86%	0.855	71%	0.71	S	S	*	*			trans	-81.5	152.9	164.1	-175.8	0	0	0	0	108.8	I101	I101-V103 PolarHBondContact O-N 3.05Å; I101-V103 VanDerWaalsContact O-N 3.16Å
104	S	26.1	Very low	27.3	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	70%	0.702	S	S	*	*			trans	-94.3	129.8	-163.7	-55.3	0	0	0	0	115.4
105	A	24.7	Very low	27.3	Very low	101 Å²	101	128.4 Å²	128.4	84%	0.835	71%	0.705	S	S	*	*			trans	79.3	163.4	155.6	0	0	0	0	0	119.6
106	A	27.2	Very low	27.9	Very low	105 Å²	105	127.9 Å²	127.9	87%	0.868	70%	0.701	S	S	*	*			trans	77.2	161.1	-170	0	0	0	0	0	116
107	E	30.3	Very low	28	Very low	201 Å²	201	125.6 Å²	125.6	94%	0.939	69%	0.688	S	S	*	*			trans	-102.1	174.6	-152.9	-73.6	166.9	119.3	0	0	116
108	Q	29.1	Very low	28.3	Very low	184 Å²	184	124.9 Å²	124.9	86%	0.86	70%	0.701	S	S	*	*			trans	-77.2	179.3	-160.9	-130.1	-174.3	-17.8	0	0	114.4
109	P	29.7	Very low	28.7	Very low	108 Å²	108	129.4 Å²	129.4	70%	0.701	71%	0.713	S	S	*	*				-126.2	170	-98.9	42.9	-28.9	0	0	0	114.7
110	Q	28.4	Very low	29.2	Very low	172 Å²	172	132.5 Å²	132.5	80%	0.804	73%	0.725	S	S	*	*			trans	-166	156.9	159.1	-125.8	-179.2	39.1	0	0	118.3
111	K	31.9	Very low	29.6	Very low	171 Å²	171	131.9 Å²	131.9	74%	0.743	74%	0.736	S	S	*	*			trans	83.9	111	154.3	-67.6	167	-175.4	175.4	0	121.8
112	Q	31.4	Very low	29.9	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	74%	0.741	S	S	*	*				-138	123.3	119	-71.1	-164	-20.5	0	0	105.7
113	T	30.2	Very low	29.7	Very low	109 Å²	109	137.7 Å²	137.7	67%	0.669	75%	0.752	S	S	*	*				60	134	69.1	63.8	0	0	0	0	113.7
114	K	29.3	Very low	29.6	Very low	148 Å²	148	138.3 Å²	138.3	64%	0.643	75%	0.749	S	S	*	*			cis	-170.9	165.6	-4.9	-106.2	-171.4	-172.2	-172.9	0	106.5	I116	K114-I116 HydrophobicContact CB-CD1 4.42Å; K114-I116 HydrophobicContact CB-CG1 4.26Å; K114-I116 HydrophobicContact CD-CD1 3.67Å; K114-I116 HydrophobicContact CD-CG1 4.12Å
115	F	25.4	Very low	29.5	Very low	173 Å²	173	136.6 Å²	136.6	76%	0.759	74%	0.735	S	S	*	*			trans	-135.2	132.8	160.6	-83.7	-78.7	0	0	0	111.9	S957 N958	F115-S957 CarbonylContact O-C 3.11Å; F115-S957 VanDerWaalsContact O-C 3.29Å; F115-N958 PolarHBondContact O-N 3.17Å
116	I	36.6	Very low	29.4	Very low	108 Å²	108	138 Å²	138	55%	0.554	73%	0.733	S	S	*	*			trans	-155.2	141.8	-163.2	-30.1	171.4	0	0	0	110.2	K114 S957	K114-I116 HydrophobicContact CB-CD1 4.42Å; K114-I116 HydrophobicContact CB-CG1 4.26Å; K114-I116 HydrophobicContact CD-CD1 3.67Å; K114-I116 HydrophobicContact CD-CG1 4.12Å; I116-S957 WeakPolarHBondContact CG2-O 3.05Å
117	S	28.1	Very low	29.4	Very low	38 Å²	38	136.2 Å²	136.2	27%	0.266	71%	0.709	S	S	.	*			cis	150.8	67	-32.2	-171.7	0	0	0	0	117.8	N958 S959	S117-N958 WeakPolarHBondContact OG-CB 3.22Å; S117-S959 WeakPolarHBondContact CB-OG 3.12Å; S117-S959 WeakPolarHBondContact OG-CB 3.44Å; S117-S959 PolarHBondContact OG-N 3.01Å; S117-S959 PolarHBondContact OG-OG 3.11Å
118	G	32	Very low	29.2	Very low	68 Å²	68	129 Å²	129	70%	0.701	68%	0.677	S	S	*	*			trans	170	114.9	153.5	0	0	0	0	0	110.5
119	E	31.1	Very low	29.1	Very low	173 Å²	173	121.3 Å²	121.3	81%	0.808	65%	0.646	S	S	*	*			trans	-143.4	134.7	-165.8	-170.9	168.5	-122.1	0	0	112
120	I	37.2	Very low	29	Very low	164 Å²	164	119.4 Å²	119.4	84%	0.841	63%	0.633	S	S	*	*			trans	-149.7	136.5	-175.9	-65.8	-176.1	0	0	0	110.2
121	A	32.5	Very low	28.8	Very low	78 Å²	78	116.7 Å²	116.7	65%	0.645	63%	0.628	S	S	*	*			trans	59.4	93.8	168.8	0	0	0	0	0	116.6
122	E	30.3	Very low	28.5	Very low	165 Å²	165	116.8 Å²	116.8	77%	0.771	63%	0.631	S	S	*	*				74.6	130.5	83.9	-74.9	178.3	-178.1	0	0	113.8
123	Q	24.3	Very low	28.1	Very low	188 Å²	188	114 Å²	114	88%	0.879	63%	0.626	S	S	*	*	S	Bend	cis	-91.3	144.7	8	-61.7	165.3	10.2	0	0	111.5
124	I	25.4	Very low	28.2	Very low	153 Å²	153	114.2 Å²	114.2	79%	0.785	63%	0.63	S	S	*	*	S	Bend	cis	-140.5	153.7	0.2	-105	156.3	0	0	0	107.3
125	P	24	Very low	27.9	Very low	78 Å²	78	114.8 Å²	114.8	51%	0.506	64%	0.64	S	S	.	*			trans	-117.8	-178.6	-141.4	37.6	-26	0	0	0	117.8
126	V	23	Very low	27.8	Very low	131 Å²	131	111.4 Å²	111.4	79%	0.794	64%	0.637	S	S	*	*			trans	63.8	144.7	166.3	-89.5	0	0	0	0	118.5
127	N	27.3	Very low	27.2	Very low	67 Å²	67	115.2 Å²	115.2	36%	0.358	65%	0.65	S	S	.	*			cis	-153.7	-167.5	-3.8	-147.7	9.4	0	0	0	109	M960 I961 Q963	N127-M960 VanDerWaalsContact OD1-CE 3.3Å; N127-M960 WeakPolarHBondContact OD1-CE 3.46Å; N127-I961 CarbonylContact C-O 3.53Å; N127-Q963 PolarHBondContact ND2-OE1 3.15Å
128	N	27	Very low	27.1	Very low	50 Å²	50	118.7 Å²	118.7	27%	0.267	67%	0.669	S	S	.	*			cis	-151.6	-82.3	-0.1	-170.5	-21.6	0	0	0	112.5	M960 I961 Q963	N128-M960 WeakPolarHBondContact O-CE 3.05Å; N128-M960 VanDerWaalsContact O-CG 3.32Å; N128-M960 WeakPolarHBondContact O-CG 3.25Å; N128-I961 CarbonylContact C-O 3.11Å; N128-I961 VanDerWaalsContact C-O 3.23Å; N128-I961 WeakPolarHBondContact CA-O 3.36Å; N128-I961 PolarHBondContact N-O 2.64Å; N128-Q963 HydrophobicContact CB-CB 4Å; N128-Q963 HydrophobicContact CB-CG 4.37Å
129	G	26.5	Very low	26.7	Very low	22 Å²	22	124.9 Å²	124.9	23%	0.227	68%	0.677	C	S	.	*			trans	167.3	-178.3	-175.7	0	0	0	0	0	113.2	I961	G129-I961 PolarHBondContact N-O 2.79Å
130	V	26.4	Very low	26.3	Very low	69 Å²	69	121.6 Å²	121.6	42%	0.418	67%	0.672	S	S	.	*			cis	-175.1	161.9	-26.2	122.6	0	0	0	0	109.3	I961	V130-I961 HydrophobicContact CG2-CG1 4.34Å
131	V	24.1	Very low	25.7	Very low	115 Å²	115	119.5 Å²	119.5	70%	0.697	67%	0.666	S	S	*	*			trans	63.4	166.6	179.6	-70.9	0	0	0	0	116.6
132	E	26.7	Very low	25.3	Very low	172 Å²	172	118.5 Å²	118.5	80%	0.804	65%	0.653	S	S	*	*			cis	-149.9	-179.1	13.6	-149.4	151.8	-130.1	0	0	114.4
133	T	23.3	Very low	25.1	Very low	124 Å²	124	115.7 Å²	115.7	76%	0.761	65%	0.648	S	S	*	*			trans	-121.7	174.4	-179.8	55.5	0	0	0	0	111.2
134	P	31	Very low	25.3	Very low	115 Å²	115	116.8 Å²	116.8	75%	0.747	65%	0.645	S	S	*	*			cis	-132.4	-172.9	-24.4	37.1	-20	0	0	0	112.8
135	N	24.8	Very low	25.2	Very low	160 Å²	160	113.9 Å²	113.9	86%	0.856	63%	0.63	S	S	*	*			trans	-152.8	166	142	-128.4	-38.5	0	0	0	114.5
136	C	22.6	Very low	25.2	Very low	102 Å²	102	118.2 Å²	118.2	69%	0.689	65%	0.646	S	S	*	*			trans	-68.7	146.8	-167.2	-63.2	0	0	0	0	114.8
137	F	24.3	Very low	25.3	Very low	188 Å²	188	118.6 Å²	118.6	83%	0.825	64%	0.642	S	S	*	*				-171.6	144.6	79.3	-114	-95.4	0	0	0	115
138	T	24.9	Very low	25.3	Very low	110 Å²	110	123.6 Å²	123.6	68%	0.675	66%	0.662	S	S	*	*			trans	31.6	111	154.7	53.3	0	0	0	0	122.3
139	K	24.2	Very low	25.5	Very low	199 Å²	199	127.2 Å²	127.2	87%	0.865	68%	0.676	S	S	*	*				-178.7	174.7	109.4	-98.4	161.1	-173.3	169.1	0	113.1
140	C	21.9	Very low	25.6	Very low	104 Å²	104	130.9 Å²	130.9	70%	0.703	69%	0.69	S	S	*	*			trans	-70	154.7	-170.4	-47.9	0	0	0	0	114.1	F100	F100-C140 HydrophobicContact CD2-CB 4.21Å; F100-C140 HydrophobicContact CE2-CB 3.47Å; F100-C140 VanDerWaalsContact CE2-CB 3.47Å; F100-C140 HydrophobicContact CZ-CB 3.89Å
141	V	24.8	Very low	25.6	Very low	119 Å²	119	134.9 Å²	134.9	72%	0.721	70%	0.704	S	S	*	*			trans	-128.5	127.4	177.2	-170.2	0	0	0	0	112	P143	V141-P143 HydrophobicContact CG1-CG 4.21Å
142	T	24	Very low	25.9	Very low	58 Å²	58	133 Å²	133	36%	0.356	70%	0.697	S	S	.	*			trans	-127	116.1	162.7	36.5	0	0	0	0	109.7	F100	F100-T142 HydrophobicContact CD1-CG2 4.07Å; F100-T142 HydrophobicContact CD2-CG2 3.56Å; F100-T142 WeakPolarHBondContact CD2-OG1 3.41Å; F100-T142 HydrophobicContact CE1-CG2 3.97Å; F100-T142 HydrophobicContact CE2-CG2 3.46Å; F100-T142 VanDerWaalsContact CE2-CG2 3.46Å; F100-T142 HydrophobicContact CG-CG2 3.87Å; F100-T142 HydrophobicContact CZ-CG2 3.66Å
143	P	27.6	Very low	25.9	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	70%	0.695	S	S	*	*			trans	-125.9	164.4	172.4	37	-22.7	0	0	0	112.6	V141	V141-P143 HydrophobicContact CG1-CG 4.21Å
144	R	27	Very low	26.1	Very low	212 Å²	212	136.1 Å²	136.1	80%	0.8	69%	0.692	S	S	*	*			cis	-173	157.9	-17.8	-107.2	-164.5	160.5	-176.2	-7.1	105.3
145	L	24.6	Very low	26	Very low	91 Å²	91	138.7 Å²	138.7	48%	0.476	69%	0.693	S	S	.	*			cis	-166.2	-150.6	-16.7	-159.2	60.3	0	0	0	106.3
146	M	24.2	Very low	26	Very low	170 Å²	170	134.7 Å²	134.7	84%	0.837	69%	0.69	S	S	*	*			trans	81.1	151.6	160	-45.6	-173.6	-164.6	0	0	118.7
147	I	24.7	Very low	26.2	Very low	139 Å²	139	134.2 Å²	134.2	71%	0.713	69%	0.693	S	S	*	*			cis	168.2	142.9	-48.3	-90.1	159.9	0	0	0	108.8
148	H	27.2	Very low	26.6	Very low	171 Å²	171	132.5 Å²	132.5	79%	0.792	69%	0.693	S	S	*	*			trans	-173	-171.4	142.4	-114.8	-105.9	0	0	0	115.1
149	K	30.3	Very low	26.7	Very low	126 Å²	126	135.7 Å²	135.7	55%	0.548	70%	0.7	S	S	.	*			trans	-115.5	-170.8	-146	-54.3	-175	-176.8	179.1	0	119.1	S214	K149-S214 PolarHBondContact NZ-OG 2.96Å
150	N	28.7	Very low	27	Very low	100 Å²	100	131.7 Å²	131.7	54%	0.535	69%	0.694	S	S	.	*			trans	-113.9	-171.9	-156.3	-48.8	14.6	0	0	0	116.4	V217	N150-V217 PolarHBondContact ND2-O 3.09Å
151	E	27.2	Very low	27.6	Very low	152 Å²	152	131.6 Å²	131.6	71%	0.71	69%	0.693	S	S	*	*			trans	94.7	148.1	157.9	-65.1	177.1	-143.4	0	0	120.6	V217	E151-V217 HydrophobicContact CG-CB 4.3Å; E151-V217 HydrophobicContact CG-CG2 4.35Å
152	S	29.4	Very low	28	Very low	77 Å²	77	133.5 Å²	133.5	54%	0.538	70%	0.697	S	S	.	*			cis	-171.5	159.7	-25.8	73.3	0	0	0	0	115.8
153	R	28.3	Very low	28	Very low	201 Å²	201	136.3 Å²	136.3	76%	0.758	71%	0.709	S	S	*	*			trans	58.8	142.5	152.5	-60.7	176.7	-174.1	-166.3	4.5	124.3
154	F	26.5	Very low	27.9	Very low	159 Å²	159	139.2 Å²	139.2	70%	0.697	71%	0.713	S	S	*	*				-177.9	-178	96.9	-109.6	-80.8	0	0	0	116.7
155	H	28.2	Very low	28	Very low	169 Å²	169	136.5 Å²	136.5	78%	0.782	71%	0.713	S	S	*	*			trans	-84	177.1	-161.5	-56.5	-40	0	0	0	117
156	G	26.5	Very low	28.1	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	72%	0.723	S	S	*	*			cis	-160.2	-143.1	12	0	0	0	0	0	112.8
157	A	26.9	Very low	28.3	Very low	92 Å²	92	133.8 Å²	133.8	76%	0.76	71%	0.706	S	S	*	*			cis	-166.3	-165.5	1.8	0	0	0	0	0	111.3
158	N	32.4	Very low	28.5	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	70%	0.696	S	S	*	*			trans	68.4	132.2	175.1	-59.1	-13.1	0	0	0	118.6
159	Q	27.2	Very low	28.4	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	69%	0.69	S	S	*	*			cis	-162.7	140	-21.1	-153	172.1	12.2	0	0	111.7
160	P	30.4	Very low	28.3	Very low	114 Å²	114	127 Å²	127	74%	0.74	70%	0.695	S	S	*	*			trans	-115.3	-164.1	174.6	44.5	-35.3	0	0	0	112.3
161	P	34.5	Very low	28.2	Very low	103 Å²	103	130.8 Å²	130.8	67%	0.669	71%	0.71	S	S	*	*			cis	-134.5	-167.6	-5.8	45.3	-28.2	0	0	0	114.7
162	I	31.4	Very low	28	Very low	159 Å²	159	127.8 Å²	127.8	82%	0.815	71%	0.711	S	S	*	*			trans	173.5	167.3	151.1	-96.2	155.5	0	0	0	110.6
163	I	25.2	Very low	27.6	Very low	117 Å²	117	129 Å²	129	60%	0.6	73%	0.726	S	S	*	*				162.7	137.4	-51	-86.3	166.4	0	0	0	108.8
164	H	26.3	Very low	27.6	Very low	165 Å²	165	125.6 Å²	125.6	76%	0.764	73%	0.732	S	S	*	*			cis	-169.5	172.6	-16.4	-93.5	-22.1	0	0	0	111.5
165	L	29	Very low	27.6	Very low	155 Å²	155	123 Å²	123	81%	0.812	73%	0.734	S	S	*	*			trans	69.7	172.9	165.4	-66.4	178.9	0	0	0	117.8
166	N	26.4	Very low	27.6	Very low	128 Å²	128	122 Å²	122	68%	0.684	74%	0.735	S	S	*	*			cis	-161.1	177.5	7.7	-125	9.8	0	0	0	108.8
167	T	28	Very low	27.6	Very low	77 Å²	77	125.6 Å²	125.6	47%	0.472	74%	0.736	S	S	.	*			cis	-173.7	150.2	-46.9	34.1	0	0	0	0	112.4
168	M	27.8	Very low	27.6	Very low	104 Å²	104	126 Å²	126	51%	0.512	74%	0.739	S	S	.	*			trans	78.1	152	155	-66	148.3	-173.5	0	0	119	T289	M168-T289 PolarHBondContact SD-N 3.27Å; M168-T289 VanDerWaalsContact SD-N 3.43Å
169	A	26.5	Very low	27.1	Very low	79 Å²	79	124.1 Å²	124.1	65%	0.653	74%	0.738	S	S	*	*			cis	-161.3	177.1	19.5	0	0	0	0	0	111.2
170	V	27.2	Very low	27.2	Very low	111 Å²	111	121 Å²	121	67%	0.673	73%	0.733	S	S	*	*			cis	-171.5	143.1	-17.3	110.9	0	0	0	0	112.7
171	Q	26	Very low	26.9	Very low	179 Å²	179	123.2 Å²	123.2	84%	0.836	74%	0.737	S	S	*	*			trans	59	164.3	152.2	-66.5	169.3	1.7	0	0	123.7
172	A	23.6	Very low	26.3	Very low	88 Å²	88	122.8 Å²	122.8	73%	0.727	74%	0.742	S	S	*	*			cis	-172.5	155.8	-33.3	0	0	0	0	0	114.4
173	A	22	Very low	25.9	Very low	104 Å²	104	120.1 Å²	120.1	86%	0.86	74%	0.738	S	S	*	*			trans	54.3	132.1	143.5	0	0	0	0	0	125
174	S	28	Very low	25.7	Very low	128 Å²	128	120.2 Å²	120.2	90%	0.895	74%	0.744	S	S	*	*			trans	-152	169	133.8	80	0	0	0	0	109.9
175	S	26	Very low	25.5	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	75%	0.745	S	S	*	*			trans	-142.8	137.8	-164.7	58.4	0	0	0	0	114.8
176	N	28.8	Very low	25.2	Very low	149 Å²	149	115.2 Å²	115.2	80%	0.797	73%	0.731	S	S	*	*			trans	-173.8	125.8	147	-98.9	-27.4	0	0	0	113.7
177	N	27	Very low	25	Very low	152 Å²	152	113.6 Å²	113.6	81%	0.813	73%	0.729	S	S	*	*			trans	59.8	155	150.6	-62.5	-18.9	0	0	0	123.1
178	A	26	Very low	24.8	Very low	99 Å²	99	113.6 Å²	113.6	82%	0.818	73%	0.732	S	S	*	*			trans	77.6	155.2	176.1	0	0	0	0	0	117.4
179	S	22.7	Very low	24.7	Very low	114 Å²	114	117.1 Å²	117.1	80%	0.797	75%	0.747	S	S	*	*			trans	-145.3	-177	-156.2	-44.4	0	0	0	0	111.4
180	P	28.7	Very low	24.6	Very low	112 Å²	112	120.2 Å²	120.2	73%	0.727	75%	0.749	S	S	*	*				-131.6	-160.4	-105.8	32.4	-8.5	0	0	0	114.7
181	I	23	Very low	24.6	Very low	161 Å²	161	121.9 Å²	121.9	83%	0.826	75%	0.75	S	S	*	*			trans	87.8	101.8	163.9	-49.3	164.5	0	0	0	116.3
182	A	22.2	Very low	24.6	Very low	94 Å²	94	119.3 Å²	119.3	78%	0.777	74%	0.738	S	S	*	*				-178.8	142.6	111.1	0	0	0	0	0	114.2
183	S	22.6	Very low	24.8	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	73%	0.734	S	S	*	*			trans	79.7	136.2	151.2	-159.6	0	0	0	0	123.2
184	T	22	Very low	25	Very low	118 Å²	118	124.9 Å²	124.9	72%	0.724	73%	0.728	S	S	*	*			trans	81.3	119.2	144.7	23.1	0	0	0	0	123.3
185	V	21.7	Very low	24.8	Very low	130 Å²	130	123.5 Å²	123.5	79%	0.788	72%	0.715	S	S	*	*			trans	59.3	159.4	158.6	-90.2	0	0	0	0	118.3
186	T	23.8	Very low	24.7	Very low	86 Å²	86	125.7 Å²	125.7	53%	0.528	72%	0.718	S	S	.	*			cis	-145.4	-171.4	12.6	-16.8	0	0	0	0	112.6	I298	T186-I298 WeakPolarHBondContact OG1-CD1 3.39Å
187	C	20.6	Very low	24.7	Very low	94 Å²	94	126 Å²	126	64%	0.635	72%	0.715	S	S	*	*			trans	-86.2	147.2	-161.8	-48.4	0	0	0	0	117.5	I298	C187-I298 WeakPolarHBondContact O-CG1 3.27Å
188	S	23.9	Very low	24.8	Very low	76 Å²	76	125.5 Å²	125.5	53%	0.531	71%	0.708	S	S	.	*				145.9	138.9	114.1	75.8	0	0	0	0	117	P297	S188-P297 WeakPolarHBondContact O-CB 3.4Å
189	H	26.7	Very low	24.9	Very low	179 Å²	179	128.3 Å²	128.3	83%	0.829	70%	0.704	S	S	*	*			trans	0.8	142.4	167	-87.9	-90.1	0	0	0	122.8
190	M	25.1	Very low	24.9	Very low	144 Å²	144	131.6 Å²	131.6	71%	0.709	70%	0.704	S	S	*	*				-148	163.7	125.7	-90.6	-144.7	163	0	0	112.9
191	Q	26.9	Very low	25	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.682	71%	0.71	S	S	*	*			trans	-18.8	153.9	152.5	-81.7	177.7	-61.1	0	0	118.3
192	E	25.8	Very low	25.1	Very low	124 Å²	124	128.5 Å²	128.5	58%	0.579	70%	0.704	S	S	*	*			cis	-167.8	174.4	-5.4	-138.3	172.2	-124.5	0	0	112.6
193	K	26.9	Very low	25.3	Very low	151 Å²	151	131.9 Å²	131.9	66%	0.657	71%	0.708	S	S	*	*			trans	70.7	129.6	152.1	-77.1	-179	174.4	86.5	0	121.3
194	Q	26	Very low	25.4	Very low	158 Å²	158	131 Å²	131	74%	0.738	70%	0.703	S	S	*	*			trans	64.9	144.9	132.4	-68.3	-176.6	-80.5	0	0	120.9
195	T	25.1	Very low	25.4	Very low	100 Å²	100	132.7 Å²	132.7	61%	0.613	71%	0.707	S	S	*	*			cis	-177.4	124.7	-35.4	18.4	0	0	0	0	106.2
196	N	23.7	Very low	25.5	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	71%	0.705	S	S	*	*			trans	61	173.3	167.9	-40.4	-15.5	0	0	0	113.7
197	E	27.9	Very low	25.6	Very low	155 Å²	155	137.6 Å²	137.6	72%	0.724	72%	0.724	S	S	*	*			cis	-144.6	178	11.2	-60.9	178.1	141	0	0	110.7
198	H	29.6	Very low	25.8	Very low	142 Å²	142	142.4 Å²	142.4	66%	0.657	74%	0.737	S	S	*	*			trans	58.9	114.7	161.1	-65.9	-67	0	0	0	118.9
199	E	28.2	Very low	26	Very low	158 Å²	158	147.8 Å²	147.8	74%	0.738	75%	0.75	S	S	*	*				67.8	140.6	77.1	-71.9	-173.3	148.1	0	0	114.5
200	F	23.3	Very low	25.9	Very low	184 Å²	184	149.1 Å²	149.1	81%	0.807	75%	0.75	S	S	*	*			cis	-171.5	163.6	-25.2	-138.7	-87.4	0	0	0	105.9
201	T	30.3	Very low	26	Very low	139 Å²	139	151.3 Å²	151.3	85%	0.853	76%	0.758	S	S	*	*			trans	68.7	148.4	176.6	77.3	0	0	0	0	117.2
202	G	23.9	Very low	25.9	Very low	68 Å²	68	152.2 Å²	152.2	70%	0.701	76%	0.763	S	S	*	*			cis	163.6	95.6	-12.3	0	0	0	0	0	115.7
203	L	27.2	Very low	25.8	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	77%	0.772	S	S	*	*			trans	-146.6	131.4	165.3	-70.3	175.7	0	0	0	106.2
204	S	25.6	Very low	25.7	Very low	86 Å²	86	149.7 Å²	149.7	60%	0.601	77%	0.765	S	S	*	*				52	116.9	66	73	0	0	0	0	113.2
205	D	22.1	Very low	26.1	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	76%	0.763	S	S	*	*			cis	-156.1	176.8	5.5	-106.9	-42.9	0	0	0	111.9
206	C	23	Very low	26.1	Very low	111 Å²	111	147.1 Å²	147.1	75%	0.75	77%	0.765	S	S	*	*	S	Bend	trans	81.4	128.1	169	-66	0	0	0	0	119.4
207	F	24.9	Very low	26.1	Very low	209 Å²	209	143.3 Å²	143.3	92%	0.917	75%	0.747	S	S	*	*			trans	58.9	76.5	164.9	-70.9	-78.2	0	0	0	120.1
208	Q	26.7	Very low	25.9	Very low	194 Å²	194	143 Å²	143	91%	0.907	75%	0.75	S	S	*	*			trans	-150.6	87.1	154.5	-146.8	174.4	32.3	0	0	113
209	K	28.1	Very low	25.8	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	75%	0.753	S	S	*	*			trans	-149.1	114.7	172.9	-86.5	-157.8	173.9	-180	0	114.8
210	Y	23.9	Very low	25.7	Very low	207 Å²	207	139 Å²	139	81%	0.812	76%	0.755	S	S	*	*			trans	36.7	103.6	146.7	-51.8	-83.5	0	0	0	120.7
211	Q	26.1	Very low	25.9	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	75%	0.751	S	S	*	*				-166.7	165.6	129.9	-113	161.1	-8.3	0	0	114.1
212	E	25.3	Very low	25.8	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	75%	0.753	S	S	*	*			trans	71.4	99.4	159.8	-70.1	176.9	179.3	0	0	123.4
213	L	24.2	Very low	25.9	Very low	147 Å²	147	141.9 Å²	141.9	77%	0.77	75%	0.753	S	S	*	*			trans	83.6	174.1	133.4	-66.8	167.6	0	0	0	121.1
214	S	25.1	Very low	26	Very low	75 Å²	75	140 Å²	140	52%	0.524	75%	0.749	S	S	.	*			trans	-163.8	-157.6	-153.8	-45	0	0	0	0	107.5	K149	K149-S214 PolarHBondContact NZ-OG 2.96Å
215	P	33.6	Very low	26	Very low	107 Å²	107	141.4 Å²	141.4	70%	0.695	75%	0.754	S	S	*	*			cis	-140.9	-178.6	-2.5	35.5	-12.1	0	0	0	116.7
216	C	25.2	Very low	26.1	Very low	97 Å²	97	140.9 Å²	140.9	66%	0.655	75%	0.751	S	S	*	*				148	116.7	127.1	-81.6	0	0	0	0	113.7
217	V	24.5	Very low	26.3	Very low	68 Å²	68	138.9 Å²	138.9	41%	0.412	74%	0.743	S	S	.	*			trans	-152.8	145.5	173.8	-176.1	0	0	0	0	111.1	N150 E151	N150-V217 PolarHBondContact ND2-O 3.09Å; E151-V217 HydrophobicContact CG-CB 4.3Å; E151-V217 HydrophobicContact CG-CG2 4.35Å
218	D	22.8	Very low	26.2	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	74%	0.738	S	S	*	*			trans	-125.9	152.8	175.6	-80.8	-84.8	0	0	0	111
219	S	28	Very low	26.1	Very low	103 Å²	103	138 Å²	138	72%	0.72	74%	0.738	S	S	*	*			cis	-157.1	-67.7	-10.7	47.2	0	0	0	0	113.1
220	C	27	Very low	25.9	Very low	114 Å²	114	132.4 Å²	132.4	77%	0.77	73%	0.733	S	S	*	*			trans	-99.7	136	-165.9	-57.3	0	0	0	0	114.4
221	D	27.3	Very low	25.8	Very low	137 Å²	137	129.4 Å²	129.4	73%	0.733	73%	0.73	S	S	*	*				-167.8	153.6	94.7	-146.5	-17.2	0	0	0	111.1
222	M	27.3	Very low	25.7	Very low	183 Å²	183	131.2 Å²	131.2	90%	0.901	73%	0.73	S	S	*	*			trans	-166.4	79.5	176.9	-104.6	-60	-171	0	0	112.9
223	D	26.3	Very low	25.7	Very low	131 Å²	131	129.5 Å²	129.5	70%	0.701	73%	0.727	S	S	*	*			trans	-82.1	121.6	161.4	-98.5	-32.6	0	0	0	110.2
224	T	28.2	Very low	25.8	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	73%	0.725	S	S	*	*				158.8	115.2	124.4	43.6	0	0	0	0	116.8
225	V	26.4	Very low	25.8	Very low	115 Å²	115	133.6 Å²	133.6	70%	0.697	73%	0.731	S	S	*	*				78.5	125.6	123.9	177.5	0	0	0	0	122.9
226	N	25.2	Very low	25.3	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	72%	0.723	S	S	*	*			trans	74.7	113	152	-73.4	-18.5	0	0	0	123.9	C755	N226-C755 CarbonylContact C-O 3.12Å; N226-C755 VanDerWaalsContact C-O 3.3Å
227	A	26.2	Very low	25.3	Very low	69 Å²	69	136 Å²	136	57%	0.57	72%	0.724	S	S	*	*				-157.5	168	119.4	0	0	0	0	0	111.5	C755 P756	A227-C755 PolarHBondContact N-O 3.4Å; A227-P756 HydrophobicContact CB-CG 4.31Å
228	N	23.1	Very low	25.5	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	75%	0.745	S	S	*	*			trans	-137.9	-173.4	-169.3	-141.9	-29.3	0	0	0	112.9
229	Y	23.3	Very low	25.6	Very low	232 Å²	232	143 Å²	143	91%	0.91	74%	0.741	S	S	*	*			trans	79.1	140.5	-176.7	-53.9	-80.9	0	0	0	115.9
230	G	24.8	Very low	25.7	Very low	71 Å²	71	143 Å²	143	73%	0.732	73%	0.733	S	S	*	*			cis	-161.8	165.3	-1.3	0	0	0	0	0	113.3
231	I	22.9	Very low	25.7	Very low	145 Å²	145	145.8 Å²	145.8	74%	0.744	73%	0.732	S	S	*	*			trans	-98.1	144.1	-174.4	-63.2	165	0	0	0	110.4	D233	I231-D233 HydrophobicContact CG2-CB 4.28Å
232	Y	23.3	Very low	25.6	Very low	227 Å²	227	144.6 Å²	144.6	89%	0.89	73%	0.732	S	S	*	*			trans	-130	120.5	145.8	-85.4	-75.3	0	0	0	110.5
233	D	25.1	Very low	25.5	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	73%	0.73	S	S	*	*			trans	-108.4	136	175.5	177	21.9	0	0	0	108.3	I231	I231-D233 HydrophobicContact CG2-CB 4.28Å
234	F	25.6	Very low	25.6	Very low	167 Å²	167	140.4 Å²	140.4	73%	0.732	73%	0.73	S	S	*	*			trans	-154.7	101.3	167.1	-92.6	-71.9	0	0	0	110.9
235	E	25.7	Very low	25.4	Very low	141 Å²	141	143 Å²	143	66%	0.659	74%	0.735	S	S	*	*				62	145	114.2	-70.9	-149.8	127.8	0	0	121.6
236	N	23.8	Very low	25.3	Very low	98 Å²	98	142.1 Å²	142.1	52%	0.524	74%	0.74	S	S	.	*			cis	-152.4	176.5	-20.9	-140.4	-34.3	0	0	0	110.5
237	K	24.7	Very low	25.3	Very low	156 Å²	156	145.6 Å²	145.6	68%	0.678	75%	0.748	S	S	*	*			trans	-60	153.5	179.3	-48	121.7	-165.1	145.1	0	112.4
238	Q	29.1	Very low	25.2	Very low	181 Å²	181	151.5 Å²	151.5	85%	0.846	76%	0.761	S	S	*	*			trans	-143.8	90.1	142.8	-139.8	168.8	25.6	0	0	111.6
239	Y	25.2	Very low	25.2	Very low	183 Å²	183	149.5 Å²	149.5	72%	0.718	76%	0.757	S	S	*	*			trans	40	149	145.2	-52.8	-76.4	0	0	0	121.5
240	D	29.6	Very low	25.2	Very low	102 Å²	102	144.9 Å²	144.9	55%	0.545	75%	0.753	S	S	.	*			cis	-154.2	154.4	5.5	-142.1	-9.4	0	0	0	114.7
241	K	26	Very low	25.1	Very low	173 Å²	173	145.4 Å²	145.4	75%	0.752	75%	0.746	S	S	*	*			trans	61.4	157.8	153.8	-80.7	151.4	-166.8	141.8	0	121.8
242	P	26.2	Very low	25.3	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	74%	0.744	S	S	*	*			trans	-132.4	-173.4	-147.5	44.5	-28.2	0	0	0	115
243	V	24.8	Very low	25.6	Very low	140 Å²	140	138.8 Å²	138.8	85%	0.848	74%	0.735	S	S	*	*			trans	-126.7	137.5	149.7	-179.5	0	0	0	0	108
244	A	29.3	Very low	25.6	Very low	85 Å²	85	139.9 Å²	139.9	70%	0.702	74%	0.741	S	S	*	*			trans	-60	139.3	179.1	0	0	0	0	0	111.2
245	M	23.2	Very low	25.6	Very low	182 Å²	182	137.6 Å²	137.6	90%	0.897	74%	0.744	S	S	*	*				59.7	111.9	64.5	-80.7	-165.2	171.2	0	0	114.9
246	A	23.4	Very low	25.7	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	75%	0.75	S	S	*	*			trans	47.1	112.9	144.3	0	0	0	0	0	120.3
247	K	25.3	Very low	25.8	Very low	215 Å²	215	138.6 Å²	138.6	94%	0.935	76%	0.763	S	S	*	*				-123.2	135.8	116.7	-77.7	-163.4	173.9	-174.8	0	110.6
248	K	24.3	Very low	26	Very low	194 Å²	194	133.7 Å²	133.7	84%	0.843	76%	0.757	S	S	*	*			trans	-102	-174.6	166.6	-159.8	177.5	-178.9	-178	0	107
249	C	23.2	Very low	26	Very low	109 Å²	109	132.8 Å²	132.8	74%	0.736	76%	0.756	S	S	*	*			trans	81.5	131.2	-179.1	-50.5	0	0	0	0	112.3
250	V	23.1	Very low	26.1	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	75%	0.746	S	S	*	*				76.3	120	101.5	170.3	0	0	0	0	110.5
251	S	23.5	Very low	26.2	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	75%	0.747	S	S	*	*			cis	-162.2	-164	6.8	33.8	0	0	0	0	111.5
252	D	27	Very low	26.3	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	75%	0.749	S	S	*	*			trans	87.7	116.6	147.4	-54.2	-47.1	0	0	0	121.5
253	S	28.8	Very low	26.3	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	75%	0.753	S	S	*	*			trans	63.8	99.9	147.1	57.3	0	0	0	0	117.7
254	N	26.2	Very low	26.3	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	75%	0.753	S	S	*	*				82.4	107.4	68.8	-74.9	-14.9	0	0	0	113.7
255	C	25.7	Very low	25.9	Very low	119 Å²	119	131.5 Å²	131.5	80%	0.804	76%	0.756	S	S	*	*				-154	77.2	127.8	-124.6	0	0	0	0	110.7
256	N	27.1	Very low	25.9	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	75%	0.747	S	S	*	*			trans	65.5	151.2	155.7	-54.5	-15.3	0	0	0	118.8
257	S	27.1	Very low	26	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	75%	0.746	S	S	*	*			cis	174.5	147.8	-33.2	49.1	0	0	0	0	106.5
258	G	28.5	Very low	25.8	Very low	54 Å²	54	130.6 Å²	130.6	56%	0.557	74%	0.743	S	S	*	*			cis	-150.1	165	-7	0	0	0	0	0	108.6
259	I	27.6	Very low	26	Very low	161 Å²	161	126.1 Å²	126.1	83%	0.826	74%	0.735	S	S	*	*				69.5	125.4	60.4	-61.3	170	0	0	0	111
260	F	28.1	Very low	26.2	Very low	115 Å²	115	126.5 Å²	126.5	50%	0.504	73%	0.734	S	S	.	*			cis	-169.7	179.5	-14.1	-141.5	-97.9	0	0	0	107.7	R19	R19-F260 VanDerWaalsContact NH1-CE2 3.31Å
261	N	32.1	Very low	26.4	Very low	105 Å²	105	127.9 Å²	127.9	56%	0.561	73%	0.732	S	S	*	*			trans	-68.1	147.1	161.2	-71.9	8.1	0	0	0	110.6	R19 G20	R19-N261 WeakPolarHBondContact CA-OD1 3.39Å; G20-N261 PolarHBondContact N-OD1 2.76Å
262	P	28.6	Very low	26.4	Very low	122 Å²	122	129.7 Å²	129.7	79%	0.792	74%	0.739	S	S	*	*			trans	-138.3	153.2	146.2	38.5	-25.8	0	0	0	114.3
263	S	25	Very low	26.5	Very low	116 Å²	116	128.9 Å²	128.9	81%	0.811	74%	0.739	S	S	*	*			trans	-148.6	87.5	153.7	59.4	0	0	0	0	109.4
264	E	24.2	Very low	26.6	Very low	184 Å²	184	131.3 Å²	131.3	86%	0.86	74%	0.739	S	S	*	*			trans	-166.6	143.6	141.2	-117.5	175.2	-148.9	0	0	114.1
265	V	22	Very low	26.9	Very low	126 Å²	126	129 Å²	129	76%	0.764	73%	0.726	S	S	*	*			trans	50.1	130.5	165.2	-126.5	0	0	0	0	122.7
266	S	23.2	Very low	27	Very low	99 Å²	99	129.9 Å²	129.9	69%	0.692	72%	0.723	S	S	*	*			trans	67.8	116.2	149.7	-122.7	0	0	0	0	117.4
267	K	25.2	Very low	27	Very low	180 Å²	180	127 Å²	127	78%	0.783	72%	0.715	S	S	*	*			cis	-151.2	169.1	35.1	-78	178.4	179	175.6	0	112.8
268	F	21.8	Very low	27	Very low	195 Å²	195	128.5 Å²	128.5	86%	0.855	71%	0.713	S	S	*	*			trans	-6.1	145	145.1	-57.6	-99.5	0	0	0	116.6
269	S	27.2	Very low	27.1	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	70%	0.703	S	S	*	*			cis	-162.7	178	37.2	63.4	0	0	0	0	114
270	V	27.5	Very low	27.2	Very low	117 Å²	117	125.7 Å²	125.7	71%	0.709	69%	0.694	S	S	*	*			trans	56.3	95.1	150.7	169.9	0	0	0	0	115.5
271	H	27.4	Very low	27.1	Very low	165 Å²	165	122.7 Å²	122.7	76%	0.764	69%	0.687	S	S	*	*				92	129.4	71.4	-80.4	-22.9	0	0	0	114.1
272	V	23.3	Very low	27.1	Very low	121 Å²	121	126.3 Å²	126.3	73%	0.733	69%	0.694	S	S	*	*				43.2	107	125.4	-170	0	0	0	0	117.9
273	T	29.4	Very low	27.2	Very low	115 Å²	115	126.8 Å²	126.8	71%	0.706	69%	0.69	S	S	*	*			trans	-158.6	117.1	130.1	9.3	0	0	0	0	105
274	E	30.5	Very low	27.4	Very low	152 Å²	152	124.8 Å²	124.8	71%	0.71	68%	0.68	S	S	*	*				71.8	140.6	96.9	-71.7	-166.3	145.8	0	0	113.4
275	N	33.3	Very low	27.7	Very low	104 Å²	104	124 Å²	124	56%	0.556	68%	0.677	S	S	*	*			cis	-148.7	153.6	-5.3	-107.5	-30.9	0	0	0	107
276	N	28.4	Very low	28.1	Very low	138 Å²	138	122.6 Å²	122.6	74%	0.738	67%	0.665	S	S	*	*				45	143.9	79	-62.7	-42.3	0	0	0	114.2
277	S	26.6	Very low	28.3	Very low	84 Å²	84	128.2 Å²	128.2	59%	0.587	67%	0.671	S	S	*	*			cis	179.9	165.2	-13.4	54.4	0	0	0	0	109
278	N	27.5	Very low	28.4	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	65%	0.649	S	S	*	*			trans	46.6	117.2	144.7	-57.3	-16.3	0	0	0	120.6	I280	N278-I280 HydrophobicContact CB-CD1 4.38Å
279	G	29.6	Very low	28.9	Very low	33 Å²	33	117.4 Å²	117.4	34%	0.34	64%	0.642	S	S	.	*			trans	-175.7	51.2	171	0	0	0	0	0	114.2	Q310	G279-Q310 PolarHBondContact O-NE2 3.17Å
280	I	29.6	Very low	29	Very low	124 Å²	124	118.6 Å²	118.6	64%	0.636	65%	0.646	S	S	*	*				75.9	99.1	90.2	-67.4	171.3	0	0	0	113.7	N278 Q310	N278-I280 HydrophobicContact CB-CD1 4.38Å; I280-Q310 PolarHBondContact O-NE2 2.92Å
281	S	26.7	Very low	29.1	Very low	51 Å²	51	116.6 Å²	116.6	36%	0.357	65%	0.649	S	S	.	*			trans	58.8	154.9	142.5	68.8	0	0	0	0	120.2
282	Y	32	Very low	29	Very low	181 Å²	181	115.1 Å²	115.1	71%	0.71	65%	0.652	S	S	*	*			cis	-141.4	148.4	29.3	-100.2	-92.7	0	0	0	114.3
283	N	29.9	Very low	29.2	Very low	133 Å²	133	116.4 Å²	116.4	71%	0.711	66%	0.66	S	S	*	*			trans	27.8	154	134	-60	5.2	0	0	0	121.3
284	A	29.5	Very low	28.9	Very low	73 Å²	73	116 Å²	116	60%	0.603	66%	0.662	S	S	*	*			cis	-156.9	147.2	29.2	0	0	0	0	0	115.4
285	Q	30.6	Very low	28.6	Very low	167 Å²	167	115.5 Å²	115.5	78%	0.78	67%	0.669	S	S	*	*				55.4	153.3	130	-63.4	168.5	-21.5	0	0	120.1
286	N	30.1	Very low	28	Very low	98 Å²	98	116.3 Å²	116.3	52%	0.524	67%	0.669	S	S	.	*			cis	-174.3	170	-10.9	-94.2	-0.4	0	0	0	105.2
287	W	27.9	Very low	28.1	Very low	217 Å²	217	112.8 Å²	112.8	82%	0.822	65%	0.654	S	S	*	*			cis	-168.6	173.9	-15.6	-93.7	-19.5	0	0	0	105.7
288	G	28	Very low	28	Very low	31 Å²	31	113.6 Å²	113.6	32%	0.32	65%	0.65	S	S	.	*			cis	142.7	144.6	0	0	0	0	0	0	111.4
289	T	31.2	Very low	27.7	Very low	116 Å²	116	109.9 Å²	109.9	71%	0.712	65%	0.647	S	S	*	*			trans	62	154.4	176.2	74.1	0	0	0	0	117.8	M168	M168-T289 PolarHBondContact SD-N 3.27Å; M168-T289 VanDerWaalsContact SD-N 3.43Å
290	T	29.3	Very low	27.4	Very low	125 Å²	125	116.1 Å²	116.1	77%	0.767	67%	0.672	S	S	*	*			cis	-164.3	153.5	-24.8	25	0	0	0	0	108.3
291	G	30.3	Very low	27	Very low	75 Å²	75	114.8 Å²	114.8	77%	0.773	67%	0.673	S	S	*	*			trans	146.1	141	163.1	0	0	0	0	0	115.6
292	T	24.5	Very low	27	Very low	133 Å²	133	117.3 Å²	117.3	82%	0.816	69%	0.688	S	S	*	*			trans	-116.5	137.3	-170.8	49.2	0	0	0	0	114.4
293	T	27.8	Very low	26.6	Very low	148 Å²	148	115.5 Å²	115.5	91%	0.908	69%	0.689	S	S	*	*				-168.7	163.9	126.7	13.3	0	0	0	0	111.2
294	S	23.1	Very low	26.3	Very low	107 Å²	107	114.9 Å²	114.9	75%	0.748	69%	0.69	S	S	*	*			trans	-74.5	146.2	-161.5	50.8	0	0	0	0	118
295	V	24	Very low	26.1	Very low	141 Å²	141	117.7 Å²	117.7	86%	0.855	70%	0.704	S	S	*	*				-177.9	158.2	122.4	147.9	0	0	0	0	110.8
296	H	21.5	Very low	25.8	Very low	122 Å²	122	114.4 Å²	114.4	57%	0.565	70%	0.7	S	S	*	*			trans	-79.6	177	-174.2	-68.8	-83	0	0	0	115.6
297	P	31.2	Very low	25.6	Very low	64 Å²	64	114.1 Å²	114.1	42%	0.416	71%	0.71	S	S	.	*			cis	-135.5	-154.9	-39.7	33.6	-11.9	0	0	0	113	S188	S188-P297 WeakPolarHBondContact O-CB 3.4Å
298	I	23	Very low	25.5	Very low	100 Å²	100	109.8 Å²	109.8	51%	0.513	70%	0.699	S	S	.	*			trans	92.9	129.4	162	-46.7	149.8	0	0	0	117.8	T186 C187	T186-I298 WeakPolarHBondContact OG1-CD1 3.39Å; C187-I298 WeakPolarHBondContact O-CG1 3.27Å
299	G	22.8	Very low	25.4	Very low	69 Å²	69	115.1 Å²	115.1	71%	0.711	71%	0.71	S	S	*	*			trans	138.9	123.5	151.8	0	0	0	0	0	118.6
300	L	21.9	Very low	25.3	Very low	164 Å²	164	115.4 Å²	115.4	86%	0.859	70%	0.703	S	S	*	*			trans	-34.4	131.9	166	-64.4	160.8	0	0	0	114.9
301	S	21.7	Very low	25.2	Very low	95 Å²	95	115 Å²	115	66%	0.664	69%	0.692	S	S	*	*				64.6	154.4	77.7	97.5	0	0	0	0	115.6
302	P	26.3	Very low	25.3	Very low	104 Å²	104	118.5 Å²	118.5	68%	0.675	70%	0.699	S	S	*	*			cis	-134.2	-128.4	-13.2	31.6	-6.2	0	0	0	110.9
303	I	23.8	Very low	25.4	Very low	143 Å²	143	117.6 Å²	117.6	73%	0.733	69%	0.693	S	S	*	*			trans	75.1	103.1	160	-72.4	163.9	0	0	0	115.6
304	V	23.6	Very low	25.6	Very low	121 Å²	121	115.4 Å²	115.4	73%	0.733	69%	0.69	S	S	*	*				91.8	138.3	72.6	152.2	0	0	0	0	112.3
305	C	24.5	Very low	25.7	Very low	132 Å²	132	118.8 Å²	118.8	89%	0.892	69%	0.693	S	S	*	*			trans	-153.4	133.6	139.2	-137.6	0	0	0	0	112.8
306	S	24.4	Very low	25.8	Very low	98 Å²	98	117.2 Å²	117.2	69%	0.685	69%	0.689	S	S	*	*			trans	-102.8	-177.5	176.5	52	0	0	0	0	111.3
307	A	26.5	Very low	26	Very low	91 Å²	91	119.3 Å²	119.3	75%	0.752	70%	0.703	S	S	*	*			trans	93.8	-176.5	141.3	0	0	0	0	0	119.8
308	E	26.5	Very low	25.7	Very low	126 Å²	126	121.1 Å²	121.1	59%	0.589	72%	0.717	S	S	*	*			trans	93.8	136	176.1	-56	-154.3	-172.5	0	0	117.7
309	R	26.1	Very low	26	Very low	143 Å²	143	122 Å²	122	54%	0.54	73%	0.728	S	S	.	*			cis	-159.1	-172.1	-19.2	-117.3	173	-168.8	144.4	2.8	106
310	Q	29.1	Very low	26.3	Very low	123 Å²	123	124.4 Å²	124.4	58%	0.575	73%	0.728	S	S	*	*			cis	-160.4	133.3	43.5	-83	-174.5	-35.6	0	0	110.2	G279 I280	G279-Q310 PolarHBondContact O-NE2 3.17Å; I280-Q310 PolarHBondContact O-NE2 2.92Å
311	H	26.1	Very low	26.6	Very low	115 Å²	115	125.6 Å²	125.6	53%	0.532	73%	0.729	S	S	.	*				58.1	114.9	104.6	-72	-95.2	0	0	0	119.1
312	V	32.4	Very low	27	Very low	150 Å²	150	124.3 Å²	124.3	91%	0.909	73%	0.731	S	S	*	*				-142.8	143.5	111.8	-179.6	0	0	0	0	107.8
313	T	27.8	Very low	27	Very low	113 Å²	113	124 Å²	124	69%	0.693	73%	0.732	S	S	*	*			trans	-117.9	148.7	-179	45.2	0	0	0	0	112.6
314	A	31.7	Very low	27.1	Very low	102 Å²	102	125.5 Å²	125.5	84%	0.843	74%	0.735	S	S	*	*			trans	-138.2	149.8	166.4	0	0	0	0	0	110.4
315	H	24.7	Very low	27.2	Very low	179 Å²	179	128.6 Å²	128.6	83%	0.829	74%	0.741	S	S	*	*			trans	-102.6	153.1	-171.2	-61.1	-100.7	0	0	0	113.1
316	S	26.5	Very low	27.4	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	74%	0.74	S	S	*	*				171.7	148.1	120.1	47.4	0	0	0	0	114.1
317	L	25.5	Very low	27.3	Very low	165 Å²	165	130.8 Å²	130.8	86%	0.864	74%	0.743	S	S	*	*			trans	65	126.5	168	-54.5	168.9	0	0	0	117
318	S	25	Very low	27.2	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	74%	0.744	S	S	*	*			cis	84	134.2	20	-155.7	0	0	0	0	115.2
319	T	28.5	Very low	27.2	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	76%	0.755	S	S	*	*			cis	-99.3	-119.3	9.8	48.2	0	0	0	0	116
320	T	29.6	Very low	27	Very low	118 Å²	118	131 Å²	131	72%	0.724	77%	0.766	S	S	*	*			cis	-161.6	162	13.4	-47.5	0	0	0	0	110.4
321	H	28.5	Very low	26.7	Very low	190 Å²	190	130.9 Å²	130.9	88%	0.88	77%	0.773	S	S	*	*			trans	-143.2	155.6	-178	-86	-100.5	0	0	0	115.2
322	G	29.2	Very low	26.5	Very low	67 Å²	67	132.8 Å²	132.8	69%	0.691	78%	0.782	S	S	*	*			trans	81.7	172.6	160	0	0	0	0	0	117.4
323	S	27.7	Very low	26.3	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	77%	0.768	S	S	*	*			cis	167.6	132.1	-20.3	43.7	0	0	0	0	109.2
324	H	25.7	Very low	26.7	Very low	173 Å²	173	131.5 Å²	131.5	80%	0.801	77%	0.769	S	S	*	*			cis	-157.1	172.9	-14	-73.3	-63.9	0	0	0	108.5
325	H	25.5	Very low	26.7	Very low	186 Å²	186	133.6 Å²	133.6	86%	0.861	76%	0.761	S	S	*	*			trans	51.7	108.5	170	-82.9	-73.7	0	0	0	119.4
326	I	27.6	Very low	26.9	Very low	172 Å²	172	130.6 Å²	130.6	88%	0.882	75%	0.751	S	S	*	*			trans	-167.5	170.5	143	-108.3	158.3	0	0	0	110.7
327	S	24	Very low	26.8	Very low	105 Å²	105	133.1 Å²	133.1	73%	0.734	75%	0.748	S	S	*	*			trans	-83.2	175	-173.4	52.1	0	0	0	0	116.1
328	S	24.6	Very low	27	Very low	111 Å²	111	133 Å²	133	78%	0.776	75%	0.747	S	S	*	*			trans	-31.2	150	168.7	-44.5	0	0	0	0	115.9
329	P	25.2	Very low	27.2	Very low	126 Å²	126	136.6 Å²	136.6	82%	0.818	76%	0.758	S	S	*	*				-150.9	-143.2	51.7	45.6	-23.9	0	0	0	116.1
330	V	21.4	Very low	27	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	76%	0.759	S	S	*	*			trans	-69	172.7	179.2	-172.5	0	0	0	0	112.5
331	V	22.9	Very low	26.7	Very low	119 Å²	119	136.4 Å²	136.4	72%	0.721	76%	0.755	S	S	*	*			trans	91.1	115.2	170.2	-172.8	0	0	0	0	112.1
332	H	23	Very low	26.5	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.718	74%	0.74	S	S	*	*			cis	83.6	152.2	38	-151.2	-92.2	0	0	0	113.3
333	H	27.7	Very low	26.2	Very low	136 Å²	136	138.6 Å²	138.6	63%	0.63	75%	0.749	S	S	*	*			trans	71	149.6	-176.4	-58	-66.6	0	0	0	116.6	H335	H333-H335 AromaticContact ND1-NE2 3.78Å
334	S	35.5	Very low	26	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	75%	0.751	S	S	*	*			cis	-151	130.1	0.9	35.5	0	0	0	0	113.5
335	H	32	Very low	25.8	Very low	147 Å²	147	136 Å²	136	68%	0.681	75%	0.749	S	S	*	*				50.4	138.8	125.9	-60.2	-74.2	0	0	0	120.2	H333	H333-H335 AromaticContact ND1-NE2 3.78Å
336	D	29.9	Very low	25.7	Very low	115 Å²	115	134.9 Å²	134.9	62%	0.615	75%	0.749	S	S	*	*			cis	-162	145	15.3	-131	13.5	0	0	0	108.8
337	K	24.5	Very low	25.5	Very low	162 Å²	162	130.8 Å²	130.8	70%	0.704	74%	0.741	S	S	*	*	S	Bend	cis	-146	149.5	19.4	-78.3	-179.3	178.1	177.6	0	113.7
338	L	29.7	Very low	25.6	Very low	161 Å²	161	131.4 Å²	131.4	84%	0.843	74%	0.743	S	S	*	*	S	Bend	trans	64.8	59.7	146.1	-66.1	163.4	0	0	0	119.6
339	L	28.5	Very low	26	Very low	179 Å²	179	131.7 Å²	131.7	94%	0.937	74%	0.742	S	S	*	*			trans	-168.9	119.4	148.2	-109.3	161	0	0	0	113.3
340	D	24.5	Very low	26	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	75%	0.747	S	S	*	*			trans	-171.3	172.4	171.2	-160.8	23.6	0	0	0	106	S342	D340-S342 PolarHBondContact OD1-OG 2.9Å; D340-S342 VanDerWaalsContact OD1-OG 3.13Å
341	S	22.9	Very low	26	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	74%	0.743	S	S	*	*			cis	-153.7	168.3	4.8	102	0	0	0	0	108.7
342	S	23.8	Very low	26	Very low	81 Å²	81	136.4 Å²	136.4	57%	0.566	75%	0.748	S	S	*	*			cis	125.7	152.7	8.6	-65.6	0	0	0	0	110.8	D340	D340-S342 PolarHBondContact OD1-OG 2.9Å; D340-S342 VanDerWaalsContact OD1-OG 3.13Å
343	Y	23.9	Very low	25.9	Very low	222 Å²	222	133.7 Å²	133.7	87%	0.871	75%	0.746	S	S	*	*			trans	66.4	130.1	-171.7	-66.2	-95.4	0	0	0	116
344	S	22.9	Very low	25.8	Very low	104 Å²	104	133 Å²	133	73%	0.727	75%	0.751	S	S	*	*			cis	110.1	159.1	9.2	86.8	0	0	0	0	116.1
345	C	21	Very low	25.2	Very low	113 Å²	113	135.4 Å²	135.4	76%	0.764	76%	0.755	S	S	*	*			trans	-100	-164.8	-170.1	-66.5	0	0	0	0	113.4
346	D	24.1	Very low	24.7	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	76%	0.76	S	S	*	*			trans	85.7	140.6	172.1	-59.1	-17.9	0	0	0	116.1
347	A	23.9	Very low	24.4	Very low	87 Å²	87	132.9 Å²	132.9	72%	0.719	76%	0.763	S	S	*	*			cis	-154.8	163.4	-3.5	0	0	0	0	0	112.8
348	P	25	Very low	24.5	Very low	118 Å²	118	132 Å²	132	77%	0.766	77%	0.765	S	S	*	*			trans	-112.7	171.8	156.2	39.2	-30.2	0	0	0	112.2
349	P	34.2	Very low	24.3	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	76%	0.763	S	S	*	*			cis	-131	168.6	-30.6	38.5	-24.6	0	0	0	113
350	K	24.1	Very low	24.2	Very low	214 Å²	214	131.4 Å²	131.4	93%	0.93	75%	0.753	S	S	*	*			trans	-158.1	172.1	139.3	-116.5	166.5	-173.3	176.2	0	111.6
351	S	21.8	Very low	24.3	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	76%	0.761	S	S	*	*			trans	-125.2	177.2	-150.4	50.8	0	0	0	0	114.5
352	I	22.8	Very low	24.4	Very low	162 Å²	162	135.5 Å²	135.5	83%	0.831	76%	0.759	S	S	*	*			trans	100.8	136.7	160.4	-58.9	156	0	0	0	116.6
353	S	22.2	Very low	24.5	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	77%	0.772	S	S	*	*			trans	91.4	106.4	154.4	-168.4	0	0	0	0	121.6
354	V	24.8	Very low	24.6	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	77%	0.773	S	S	*	*			trans	74.9	108.3	131.1	178.8	0	0	0	0	120.7
355	L	22.9	Very low	24.8	Very low	151 Å²	151	133 Å²	133	79%	0.791	77%	0.771	S	S	*	*			trans	18	133	131.7	-61.4	158.8	0	0	0	120.9
356	S	22	Very low	24.8	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	78%	0.777	S	S	*	*			trans	64.2	148.9	142.3	67.1	0	0	0	0	119.3
357	S	23.4	Very low	24.7	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	77%	0.769	S	S	*	*			cis	-169	-173.4	-16.6	50.9	0	0	0	0	108.8
358	I	26.7	Very low	24.7	Very low	143 Å²	143	131.5 Å²	131.5	73%	0.733	77%	0.77	S	S	*	*			trans	72.7	88.8	165.6	-53.2	164.6	0	0	0	116.5
359	E	24.7	Very low	24.5	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	76%	0.762	S	S	*	*				47.2	139.1	114.2	-68.2	178.1	139.9	0	0	124.1
360	E	26.4	Very low	24	Very low	155 Å²	155	127.6 Å²	127.6	72%	0.724	75%	0.749	S	S	*	*			trans	60.2	107.9	148.3	-64.1	-157.3	130.5	0	0	123.1
361	R	27.5	Very low	24	Very low	246 Å²	246	121 Å²	121	93%	0.928	72%	0.724	S	S	*	*				-118.7	111.1	117.6	-71.6	179.8	172.9	171.1	-2.5	107.3
362	A	25.1	Very low	24.1	Very low	73 Å²	73	124.2 Å²	124.2	60%	0.603	73%	0.728	S	S	*	*				59.8	107.6	73	0	0	0	0	0	112.2
363	H	24.4	Very low	24.2	Very low	181 Å²	181	122.8 Å²	122.8	84%	0.838	73%	0.726	S	S	*	*				80.7	116.3	59.7	-82.7	-55.1	0	0	0	115.5
364	A	26.6	Very low	24.3	Very low	108 Å²	108	121 Å²	121	89%	0.893	72%	0.723	S	S	*	*			trans	-164.4	132.5	150.3	0	0	0	0	0	108.6
365	G	26.9	Very low	24.4	Very low	67 Å²	67	120.7 Å²	120.7	69%	0.691	71%	0.713	S	S	*	*			cis	-148.6	150.4	-15.9	0	0	0	0	0	108.2
366	A	22.2	Very low	24.5	Very low	106 Å²	106	115.3 Å²	115.3	88%	0.876	69%	0.691	S	S	*	*				75.1	137.1	59.6	0	0	0	0	0	112.3
367	S	22.3	Very low	24.9	Very low	100 Å²	100	112.3 Å²	112.3	70%	0.699	67%	0.672	S	S	*	*			cis	-160.2	136.5	15.9	59.1	0	0	0	0	116.6
368	T	22.1	Very low	25.2	Very low	123 Å²	123	113 Å²	113	76%	0.755	66%	0.663	S	S	*	*			trans	54.1	127	130.6	65.6	0	0	0	0	125.9
369	S	20.7	Very low	25.3	Very low	84 Å²	84	109 Å²	109	59%	0.587	65%	0.648	S	S	*	*				101.4	152.2	125.7	80	0	0	0	0	124.1
370	S	25	Very low	25.5	Very low	69 Å²	69	111.9 Å²	111.9	48%	0.483	65%	0.651	S	S	.	*			trans	91.2	164.1	163.4	84.4	0	0	0	0	119.9	G514 S515	S370-G514 PolarHBondContact N-O 3.47Å; S370-S515 CarbonylContact C-O 3.53Å
371	L	23.6	Very low	26	Very low	77 Å²	77	110.1 Å²	110.1	40%	0.403	65%	0.653	S	S	.	*			trans	-141.4	128.5	-135.5	-171.8	151.2	0	0	0	114	S515	L371-S515 WeakPolarHBondContact CB-O 3.47Å; L371-S515 WeakPolarHBondContact CD1-OG 3.4Å
372	Q	23.7	Very low	26.4	Very low	163 Å²	163	103.6 Å²	103.6	76%	0.762	64%	0.643	S	S	*	*			trans	-170.2	-175.9	137.8	-109.4	175.9	8.1	0	0	114.3
373	V	24.4	Very low	26.3	Very low	132 Å²	132	106 Å²	106	80%	0.8	65%	0.653	S	S	*	*			trans	-108.8	118.2	-156.4	-179.2	0	0	0	0	112
374	G	25.4	Very low	26.3	Very low	58 Å²	58	108 Å²	108	60%	0.598	65%	0.654	S	S	*	*			trans	-163.8	134.1	176.4	0	0	0	0	0	111.6
375	H	27.5	Very low	26.1	Very low	116 Å²	116	113.2 Å²	113.2	54%	0.537	65%	0.652	S	S	.	*	S	Bend	trans	-35	136.9	-179.1	-70.8	8.4	0	0	0	116.3	C524 F525	H375-C524 WeakPolarHBondContact CB-SG 3.25Å; H375-F525 WeakPolarHBondContact CE1-CB 3.36Å; H375-F525 AromaticContact CE1-CD1 3.65Å; H375-F525 AromaticContact CE1-CD2 4Å; H375-F525 AromaticContact CE1-CG 3.34Å; H375-F525 WeakPolarHBondContact CE1-CG 3.35Å; H375-F525 AromaticContact ND1-CG 3.99Å; H375-F525 WeakPolarHBondContact NE2-CB 3.32Å
376	A	24.4	Very low	26	Very low	39 Å²	39	119.1 Å²	119.1	32%	0.322	66%	0.661	S	S	.	*			trans	95.7	25.9	-178.7	0	0	0	0	0	118.8	L521 P523	A376-L521 HydrophobicContact CB-CB 4.09Å; A376-L521 HydrophobicContact CB-CD2 3.79Å; A376-L521 HydrophobicContact CB-CG 4.42Å; A376-L521 WeakPolarHBondContact O-CA 3.12Å; A376-L521 WeakPolarHBondContact O-CB 3.38Å; A376-L521 VanDerWaalsContact O-CG 3.25Å; A376-L521 WeakPolarHBondContact O-CG 3.45Å; A376-P523 VanDerWaalsContact CA-CD 3.47Å
377	A	30.8	Very low	26.1	Very low	47 Å²	47	117.8 Å²	117.8	39%	0.388	65%	0.65	S	S	.	*			trans	-80	179.9	158.6	0	0	0	0	0	112.9	L521 V522 P523	A377-L521 CarbonylContact O-C 3.45Å; A377-V522 WeakPolarHBondContact O-CB 3.07Å; A377-V522 WeakPolarHBondContact O-CG1 3.16Å; A377-V522 PolarHBondContact O-N 2.82Å; A377-P523 WeakPolarHBondContact O-CD 3.46Å
378	K	30	Very low	26.1	Very low	112 Å²	112	119.7 Å²	119.7	49%	0.487	65%	0.652	S	S	.	*			trans	-144.8	-171.7	-168.2	-146	-139.7	-160.1	66.5	0	119	T520 L521 V522	K378-T520 VanDerWaalsContact CD-O 3.22Å; K378-T520 WeakPolarHBondContact CD-O 3.46Å; K378-T520 PolarHBondContact NZ-O 2.66Å; K378-T520 VanDerWaalsContact NZ-O 3.11Å; K378-L521 WeakPolarHBondContact CG-O 3.45Å; K378-L521 PolarHBondContact NZ-O 3.44Å; K378-V522 HydrophobicContact CB-CB 4.3Å; K378-V522 HydrophobicContact CG-CB 3.71Å; K378-V522 HydrophobicContact CG-CG2 4.04Å
379	S	29	Very low	26.3	Very low	60 Å²	60	121.5 Å²	121.5	42%	0.42	65%	0.652	S	S	.	*			trans	-175.3	146.2	-164.8	52	0	0	0	0	109.9
380	R	27.9	Very low	26.5	Very low	233 Å²	233	122.1 Å²	122.1	88%	0.879	65%	0.652	S	S	*	*			cis	-173.7	135.8	-16.3	-119.4	164.9	-171.3	-171.6	0.2	108.1
381	P	36.4	Very low	26.4	Very low	119 Å²	119	123.7 Å²	123.7	77%	0.773	66%	0.655	S	S	*	*			trans	-97.7	-172.4	158.2	41	-34	0	0	0	109.7
382	P	36.9	Very low	26.5	Very low	109 Å²	109	128.3 Å²	128.3	71%	0.708	68%	0.677	S	S	*	*			cis	-122.4	-173.8	-15.8	40.2	-26.3	0	0	0	113.1
383	C	22.7	Very low	26.4	Very low	122 Å²	122	124.7 Å²	124.7	82%	0.824	66%	0.661	S	S	*	*			trans	70.9	157.3	162.3	-65.5	0	0	0	0	119.3
384	R	24.6	Very low	26.5	Very low	225 Å²	225	122.8 Å²	122.8	85%	0.849	65%	0.646	S	S	*	*			trans	63.9	113.3	177.7	-87	-173.9	168.1	168.9	-1.8	118.3
385	Y	21.9	Very low	26.7	Very low	217 Å²	217	125.1 Å²	125.1	85%	0.851	65%	0.654	S	S	*	*			trans	67.5	154.5	150.3	-81	-84.3	0	0	0	119.6
386	Q	25.3	Very low	26.7	Very low	190 Å²	190	126 Å²	126	89%	0.888	66%	0.658	S	S	*	*			trans	70.8	127.5	174.7	-65.6	-176.2	3	0	0	115.3
387	A	23.4	Very low	26.8	Very low	78 Å²	78	129.3 Å²	129.3	65%	0.645	67%	0.67	S	S	*	*			cis	-159.8	174.4	-7.2	0	0	0	0	0	112.3
388	L	23.5	Very low	26.6	Very low	141 Å²	141	130.7 Å²	130.7	74%	0.738	67%	0.671	S	S	*	*			trans	38.5	124.8	139.6	-68	161.4	0	0	0	119.5
389	Q	26.2	Very low	26.5	Very low	160 Å²	160	128.3 Å²	128.3	75%	0.748	67%	0.672	S	S	*	*			trans	57.4	137.6	135	-56.6	-174.8	-96.3	0	0	119.7
390	T	23.7	Very low	26.5	Very low	97 Å²	97	130.5 Å²	130.5	60%	0.595	69%	0.687	S	S	*	*			cis	-166.5	176.2	-12.8	30.2	0	0	0	0	105.6
391	D	23.6	Very low	26.5	Very low	103 Å²	103	124 Å²	124	55%	0.551	68%	0.683	S	S	*	*			trans	67.9	173.3	165	-48.3	-59.7	0	0	0	111.6	M393	D391-M393 HydrophobicContact CB-CG 4.28Å
392	M	24.8	Very low	26.3	Very low	174 Å²	174	124.1 Å²	124.1	86%	0.857	68%	0.684	S	S	*	*			cis	-118.3	151.4	23.9	-66.1	-177.9	-68.2	0	0	110.4
393	M	23.4	Very low	25.7	Very low	86 Å²	86	129.9 Å²	129.9	42%	0.424	69%	0.692	S	S	.	*				59.6	133.2	54.3	-49.5	-58.1	131.2	0	0	110.6	I37 D391	I37-M393 HydrophobicContact CB-CE 4.48Å; I37-M393 HydrophobicContact CB-SD 4.48Å; I37-M393 HydrophobicContact CG1-CE 3.78Å; I37-M393 HydrophobicContact CG1-CG 4.27Å; I37-M393 HydrophobicContact CG1-SD 3.77Å; I37-M393 PolarHBondContact N-SD 2.87Å; D391-M393 HydrophobicContact CB-CG 4.28Å
394	D	26.3	Very low	25.9	Very low	92 Å²	92	128.9 Å²	128.9	49%	0.492	69%	0.693	S	S	.	*			cis	-143.7	164.3	28.9	-82.7	-41.1	0	0	0	113.3	P35	P35-D394 HydrophobicContact CG-CB 3.91Å; P35-D394 VanDerWaalsContact CG-OD1 3.24Å; P35-D394 WeakPolarHBondContact CG-OD1 3.15Å
395	S	29.5	Very low	26	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	69%	0.688	S	S	*	*			trans	-146.6	130.3	143.1	64.7	0	0	0	0	109.4	P35	P35-S395 WeakPolarHBondContact CB-O 3.34Å; P35-S395 VanDerWaalsContact CG-O 3.29Å; P35-S395 WeakPolarHBondContact CG-O 3.35Å
396	Q	26.8	Very low	26.4	Very low	134 Å²	134	123.8 Å²	123.8	63%	0.626	69%	0.688	S	S	*	*			trans	-85.3	170.6	-143	-74.7	143.7	16	0	0	118.7	P35	P35-Q396 HydrophobicContact CG-CB 4.4Å; P35-Q396 HydrophobicContact CG-CG 4.04Å
397	L	26.8	Very low	26.4	Very low	108 Å²	108	121.8 Å²	121.8	57%	0.565	68%	0.683	S	S	*	*			trans	92.5	133.8	-170.7	-51.6	-175.6	0	0	0	115.5	R34 P35	R34-L397 VanDerWaalsContact C-C 3.41Å; R34-L397 CarbonylContact O-C 3.49Å; P35-L397 VanDerWaalsContact CA-O 3.24Å; P35-L397 WeakPolarHBondContact CA-O 3.26Å; P35-L397 WeakPolarHBondContact CB-O 3.32Å
398	D	26.8	Very low	26.5	Very low	77 Å²	77	121.3 Å²	121.3	41%	0.412	69%	0.686	S	S	.	*			cis	-146.1	158.1	-5.8	-135.6	-32.5	0	0	0	118.5	T32 C33 R34	T32-D398 VanDerWaalsContact CA-OD1 3.27Å; T32-D398 WeakPolarHBondContact CA-OD1 3.39Å; T32-D398 VanDerWaalsContact CA-OD2 3.25Å; T32-D398 WeakPolarHBondContact CA-OD2 3.44Å; T32-D398 PolarHBondContact N-OD1 3.27Å; T32-D398 VanDerWaalsContact N-OD1 3.17Å; T32-D398 PolarHBondContact N-OD2 3.16Å; C33-D398 PolarHBondContact N-OD1 3.4Å; R34-D398 CarbonylContact O-C 3.58Å; R34-D398 WeakPolarHBondContact O-CA 3.46Å; R34-D398 PolarHBondContact O-N 2.92Å
399	A	28	Very low	26.6	Very low	62 Å²	62	123.6 Å²	123.6	51%	0.512	69%	0.693	S	S	.	*			trans	69.7	106.4	154.2	0	0	0	0	0	124.5
400	S	29	Very low	26.7	Very low	105 Å²	105	123.5 Å²	123.5	73%	0.734	70%	0.698	S	S	*	*			trans	26.8	111.5	146.5	57.7	0	0	0	0	120.8
401	A	26.6	Very low	26.7	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	71%	0.707	S	S	*	*				82.2	156.2	63.6	0	0	0	0	0	115.5
402	P	32.7	Very low	26.9	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	71%	0.711	S	S	*	*			cis	-127.1	-175.1	-13.6	38.9	-22.2	0	0	0	114.1
403	W	24.4	Very low	27.1	Very low	229 Å²	229	124.5 Å²	124.5	87%	0.867	70%	0.703	S	S	*	*			trans	-75.5	158.8	168.9	-61	-11	0	0	0	113.5
404	A	27.8	Very low	27.3	Very low	102 Å²	102	127.8 Å²	127.8	84%	0.843	72%	0.721	S	S	*	*			trans	-131.9	125.3	146.9	0	0	0	0	0	109.9
405	K	26.4	Very low	27.8	Very low	172 Å²	172	128.4 Å²	128.4	75%	0.748	73%	0.732	S	S	*	*			trans	-85	142.3	162.3	-63.1	175.4	-179.4	175.9	0	108.3
406	L	28.9	Very low	28.3	Very low	163 Å²	163	132.8 Å²	132.8	85%	0.853	74%	0.738	S	S	*	*			trans	-162.4	122	142	-91.3	173.9	0	0	0	103.4
407	N	25.7	Very low	28.5	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	74%	0.744	S	S	*	*				55.9	148.4	59.7	-69.2	12.1	0	0	0	113.1
408	G	26	Very low	28.7	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	74%	0.741	S	S	*	*			trans	107.1	111.7	170.6	0	0	0	0	0	112
409	E	24.4	Very low	29	Very low	188 Å²	188	141 Å²	141	88%	0.879	77%	0.766	S	S	*	*			trans	-43.8	141.1	143	-60.7	127.5	150.8	0	0	110.2
410	D	28.6	Very low	29.1	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	78%	0.777	S	S	*	*				-138.1	145.9	127.7	-149.6	-17.3	0	0	0	108.3
411	E	24.5	Very low	28.9	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	76%	0.762	S	S	*	*			trans	-81.8	-177.8	-173.3	-69.8	-161.9	120.5	0	0	111.8
412	S	26.7	Very low	29.2	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	76%	0.759	S	S	*	*				97.9	144.1	126.8	87.8	0	0	0	0	119.8
413	I	29.8	Very low	29.4	Very low	135 Å²	135	147.5 Å²	147.5	69%	0.692	76%	0.759	S	S	*	*			trans	62	95.8	131.6	-66.9	168.9	0	0	0	117.3
414	I	27.9	Very low	29.6	Very low	155 Å²	155	144.5 Å²	144.5	80%	0.795	75%	0.752	S	S	*	*				44.1	100.9	117.8	-52.4	158	0	0	0	115.3
415	S	36.8	Very low	30	Very low	105 Å²	105	144 Å²	144	73%	0.734	75%	0.748	S	S	*	*			trans	-155.4	116.6	130.4	37.7	0	0	0	0	114.9
416	K	40.3	Very low	30	Very low	201 Å²	201	148.3 Å²	148.3	87%	0.874	76%	0.76	S	S	*	*			trans	59	72.8	135.1	-62.1	169.9	-175.8	170.7	0	116.1
417	E	30.2	Very low	29.9	Very low	161 Å²	161	149.5 Å²	149.5	75%	0.752	76%	0.758	S	S	*	*				-18.1	155.5	123.1	-156.7	-167.1	-137.5	0	0	115.5
418	K	30.3	Very low	30.1	Very low	115 Å²	115	145.2 Å²	145.2	50%	0.5	75%	0.749	S	S	.	*			trans	83.4	90	165.1	-50	-171.9	-177.1	-165.5	0	119.2	E421	K418-E421 HydrophobicContact CD-CB 4.41Å; K418-E421 HydrophobicContact CD-CG 4.27Å; K418-E421 VanDerWaalsContact CD-OE2 3.3Å; K418-E421 WeakPolarHBondContact CD-OE2 3.49Å; K418-E421 VanDerWaalsContact CE-OE2 3.29Å; K418-E421 WeakPolarHBondContact CE-OE2 3.5Å; K418-E421 IonicContact NZ-OE1 3.8Å; K418-E421 IonicContact NZ-OE2 2.71Å; K418-E421 PolarHBondContact NZ-OE2 3.13Å
419	K	34.8	Very low	30.1	Very low	214 Å²	214	146.5 Å²	146.5	93%	0.93	75%	0.747	S	S	*	*	S	Bend		-164.4	88.6	127.5	-99.7	170.1	-175.2	177.8	0	104.8
420	V	28.5	Very low	30.4	Very low	124 Å²	124	144.4 Å²	144.4	75%	0.752	74%	0.737	S	S	*	*			cis	-128	111	41	167.6	0	0	0	0	112.4	N422	V420-N422 HydrophobicContact CG1-CB 3.92Å; V420-N422 VanDerWaalsContact CG1-N 3.26Å
421	E	25	Very low	30.5	Very low	92 Å²	92	144.2 Å²	144.2	43%	0.43	73%	0.731	S	S	.	*				-74.4	122.3	123.9	-110.4	-161.8	135.3	0	0	106.8	K418 K424	K418-E421 HydrophobicContact CD-CB 4.41Å; K418-E421 HydrophobicContact CD-CG 4.27Å; K418-E421 VanDerWaalsContact CD-OE2 3.3Å; K418-E421 WeakPolarHBondContact CD-OE2 3.49Å; K418-E421 VanDerWaalsContact CE-OE2 3.29Å; K418-E421 WeakPolarHBondContact CE-OE2 3.5Å; K418-E421 IonicContact NZ-OE1 3.8Å; K418-E421 IonicContact NZ-OE2 2.71Å; K418-E421 PolarHBondContact NZ-OE2 3.13Å; E421-K424 WeakPolarHBondContact OE1-CE 3.36Å; E421-K424 IonicContact OE1-NZ 2.68Å; E421-K424 PolarHBondContact OE1-NZ 3.43Å
422	N	34.3	Very low	30.6	Very low	135 Å²	135	142 Å²	142	72%	0.722	72%	0.724	S	S	*	*			trans	171.3	129.1	154.8	-97.4	-26.8	0	0	0	108.2	V420	V420-N422 HydrophobicContact CG1-CB 3.92Å; V420-N422 VanDerWaalsContact CG1-N 3.26Å
423	Q	36.8	Very low	30.6	Very low	173 Å²	173	145.8 Å²	145.8	81%	0.808	73%	0.726	S	S	*	*			cis	-128.8	155.2	-1.7	-83.3	176.5	-24.8	0	0	112.2
424	K	27.6	Very low	30.3	Very low	165 Å²	165	143.8 Å²	143.8	72%	0.717	73%	0.73	S	S	*	*			trans	-72.4	126.9	175.2	-65.6	146	-178.9	160.5	0	109.6	E421	E421-K424 WeakPolarHBondContact OE1-CE 3.36Å; E421-K424 IonicContact OE1-NZ 2.68Å; E421-K424 PolarHBondContact OE1-NZ 3.43Å
425	A	36.4	Very low	30.2	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	73%	0.727	S	S	*	*			trans	-145.9	25.9	168.4	0	0	0	0	0	114
426	W	26.6	Very low	29.7	Very low	264 Å²	264	143.1 Å²	143.1	100%	1	73%	0.726	S	S	*	*			trans	-114.8	69.3	156.2	-111.2	48.6	0	0	0	109
427	K	27.4	Very low	29.2	Very low	187 Å²	187	141 Å²	141	81%	0.813	72%	0.721	S	S	*	*			trans	-147	147.8	160.5	-85.6	-161.9	172.7	-162.9	0	106.3
428	G	29.3	Very low	29	Very low	57 Å²	57	140.8 Å²	140.8	59%	0.588	73%	0.725	S	S	*	*			cis	-82.7	-167.2	-11.3	0	0	0	0	0	113.4
429	S	25.4	Very low	28.9	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	74%	0.737	S	S	*	*			cis	60.5	136.7	20.6	79	0	0	0	0	110.9
430	E	30.3	Very low	28.6	Very low	144 Å²	144	136.9 Å²	136.9	67%	0.673	73%	0.732	S	S	*	*			cis	-148.2	177.8	32.9	-93	125.8	-116.7	0	0	110.5
431	Q	31.5	Very low	28.6	Very low	154 Å²	154	140 Å²	140	72%	0.72	74%	0.735	S	S	*	*			cis	-142.7	163.3	0	-133.1	132.8	29.1	0	0	112.2
432	L	25.8	Very low	28.6	Very low	123 Å²	123	139.6 Å²	139.6	64%	0.644	75%	0.747	S	S	*	*			trans	-49.5	178.6	158.2	-52	139.1	0	0	0	111.9
433	Y	27.9	Very low	28.2	Very low	169 Å²	169	139.4 Å²	139.4	66%	0.663	75%	0.751	S	S	*	*			cis	-150.3	169.4	18.1	-104.2	-71	0	0	0	110.1	I435	Y433-I435 HydrophobicContact CG-CG1 4.23Å
434	A	23.8	Very low	27.7	Very low	94 Å²	94	142 Å²	142	78%	0.777	75%	0.754	S	S	*	*			trans	-95.5	122.2	140.2	0	0	0	0	0	107.2
435	I	25.9	Very low	27.5	Very low	144 Å²	144	140.7 Å²	140.7	74%	0.738	76%	0.755	S	S	*	*			trans	-114.6	132.5	-177.7	-54.2	176.3	0	0	0	108	Y433	Y433-I435 HydrophobicContact CG-CG1 4.23Å
436	S	26.6	Very low	27	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	75%	0.754	S	S	*	*			trans	165.1	142.2	155	-86.6	0	0	0	0	110.8
437	M	28	Very low	26.8	Very low	157 Å²	157	133.3 Å²	133.3	77%	0.773	74%	0.739	S	S	*	*			cis	-140.6	178.7	-29.6	-55.2	-166.1	-178.5	0	0	105.4
438	N	27.8	Very low	26.6	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	74%	0.739	S	S	*	*			cis	-152.2	153.3	13.7	-115.4	-37.7	0	0	0	107.3
439	G	27.7	Very low	26.4	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	74%	0.743	S	S	*	*			trans	158.6	117.8	175.1	0	0	0	0	0	114.8
440	Q	28.1	Very low	26.2	Very low	173 Å²	173	136 Å²	136	81%	0.808	74%	0.742	S	S	*	*			trans	-69	149.5	-165.7	-61	175	-4.5	0	0	116.9
441	K	27.4	Very low	25.9	Very low	188 Å²	188	137.3 Å²	137.3	82%	0.817	75%	0.752	S	S	*	*			trans	56.8	118.6	137.4	-69	177	177.5	179.3	0	121.9
442	A	25.8	Very low	25.6	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	75%	0.749	S	S	*	*				83.4	119.3	123.6	0	0	0	0	0	122.9
443	T	26.2	Very low	25.4	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	74%	0.742	S	S	*	*			trans	69.5	127.2	137.4	52.6	0	0	0	0	123.6
444	R	25.3	Very low	25.4	Very low	227 Å²	227	129.6 Å²	129.6	86%	0.857	75%	0.751	S	S	*	*			trans	75.7	147.3	148.9	-86.4	-178.7	168.1	170.8	-3.7	120.6
445	N	25.1	Very low	25.4	Very low	139 Å²	139	128.3 Å²	128.3	74%	0.743	75%	0.747	S	S	*	*			trans	20.8	116	152.1	-53.5	8	0	0	0	117.8
446	A	24.1	Very low	25.4	Very low	90 Å²	90	127.3 Å²	127.3	74%	0.744	74%	0.743	S	S	*	*				86.8	158.7	60.5	0	0	0	0	0	115
447	T	23.3	Very low	25.3	Very low	110 Å²	110	125.5 Å²	125.5	68%	0.675	73%	0.728	S	S	*	*			trans	74.7	129.4	175.4	19.9	0	0	0	0	119.7
448	Y	23.1	Very low	25	Very low	209 Å²	209	122.2 Å²	122.2	82%	0.82	71%	0.714	S	S	*	*			trans	52.8	131	163.7	-51.7	-62.9	0	0	0	118
449	S	24.6	Very low	24.8	Very low	95 Å²	95	118.8 Å²	118.8	66%	0.664	70%	0.702	S	S	*	*			cis	63.7	125.9	44.1	81.8	0	0	0	0	114.2
450	S	23	Very low	24.7	Very low	93 Å²	93	119.1 Å²	119.1	65%	0.65	69%	0.686	S	S	*	*			cis	-167.4	148.2	-0.9	45.4	0	0	0	0	110
451	L	23.9	Very low	24.6	Very low	172 Å²	172	114.5 Å²	114.5	90%	0.901	68%	0.677	S	S	*	*			trans	63.8	156.1	-167.4	-55	97.7	0	0	0	112.1
452	A	23.6	Very low	24.4	Very low	78 Å²	78	112.7 Å²	112.7	65%	0.645	67%	0.671	S	S	*	*			cis	-149.3	158.6	5.4	0	0	0	0	0	112.5
453	V	23.1	Very low	24.4	Very low	84 Å²	84	112.5 Å²	112.5	51%	0.509	67%	0.67	S	S	.	*			trans	47.1	108	138.1	-174.4	0	0	0	0	119.2	W481	V453-W481 HydrophobicContact CB-CH2 4.18Å; V453-W481 HydrophobicContact CB-CZ2 4.29Å; V453-W481 HydrophobicContact CG1-CH2 4.12Å; V453-W481 HydrophobicContact CG1-CZ2 3.72Å; V453-W481 HydrophobicContact CG2-CE3 4.29Å; V453-W481 HydrophobicContact CG2-CH2 3.54Å; V453-W481 HydrophobicContact CG2-CZ2 3.92Å; V453-W481 HydrophobicContact CG2-CZ3 3.72Å
454	S	27.8	Very low	24.3	Very low	122 Å²	122	110.3 Å²	110.3	85%	0.853	66%	0.656	S	S	*	*	S	Bend		175.1	150	108.2	47.3	0	0	0	0	111.8
455	G	23	Very low	24.2	Very low	67 Å²	67	103.9 Å²	103.9	69%	0.691	65%	0.652	S	S	*	*	S	Bend	cis	-101.3	134.9	-16.1	0	0	0	0	0	110.7
456	N	25.7	Very low	24.2	Very low	122 Å²	122	105.7 Å²	105.7	65%	0.652	65%	0.648	S	S	*	*	S	Bend	trans	51.6	125.9	160.8	-66.7	4.1	0	0	0	118.8	W481	N456-W481 PolarHBondContact OD1-NE1 3.42Å
457	T	24.7	Very low	24.2	Very low	64 Å²	64	105.6 Å²	105.6	39%	0.393	64%	0.642	S	S	.	*			cis	-169.9	123.2	0.7	-4.2	0	0	0	0	108.2	W481 N482	T457-W481 HydrophobicContact CG2-CB 3.66Å; T457-W481 HydrophobicContact CG2-CD2 3.46Å; T457-W481 VanDerWaalsContact CG2-CD2 3.46Å; T457-W481 VanDerWaalsContact CG2-CE2 3.43Å; T457-W481 HydrophobicContact CG2-CE3 4.2Å; T457-W481 HydrophobicContact CG2-CG 3.28Å; T457-W481 HydrophobicContact CG2-CZ2 4.04Å; T457-N482 WeakPolarHBondContact CB-OD1 3.16Å; T457-N482 HydrophobicContact CG2-CB 4.46Å; T457-N482 WeakPolarHBondContact CG2-OD1 3.46Å; T457-N482 PolarHBondContact O-OD1 3.37Å
458	D	21.2	Very low	24.4	Very low	88 Å²	88	105.7 Å²	105.7	47%	0.471	65%	0.647	S	S	.	*			trans	-147.1	138.7	162.3	-138.9	-25.9	0	0	0	114.5	N482 Q484	D458-N482 VanDerWaalsContact C-CG 3.45Å; D458-N482 WeakPolarHBondContact CA-ND2 3.27Å; D458-N482 WeakPolarHBondContact CA-OD1 3.47Å; D458-N482 PolarHBondContact N-ND2 3.02Å; D458-N482 PolarHBondContact N-OD1 2.87Å; D458-N482 PolarHBondContact O-ND2 3.01Å; D458-Q484 PolarHBondContact OD1-NE2 3.28Å; D458-Q484 VanDerWaalsContact OD1-NE2 3.12Å; D458-Q484 PolarHBondContact OD2-NE2 3.01Å
459	S	24.4	Very low	24.8	Very low	84 Å²	84	103.1 Å²	103.1	59%	0.587	65%	0.647	S	S	*	*			trans	65.3	147.6	-170.3	68.9	0	0	0	0	120.7	N482 A483	S459-N482 VanDerWaalsContact C-CB 3.43Å; S459-N482 PolarHBondContact N-ND2 3.48Å; S459-N482 WeakPolarHBondContact O-CB 3.18Å; S459-N482 VanDerWaalsContact O-CG 3.23Å; S459-N482 PolarHBondContact O-ND2 2.85Å; S459-A483 VanDerWaalsContact N-CB 3.31Å
460	I	25.7	Very low	25.1	Very low	82 Å²	82	101.6 Å²	101.6	42%	0.421	65%	0.647	S	S	.	*			trans	87.4	67.5	-153.5	-54	173.7	0	0	0	111	C480 N482	I460-C480 HydrophobicContact CD1-CB 4.46Å; I460-N482 HydrophobicContact CB-CB 4.04Å; I460-N482 CarbonylContact O-C 3.54Å; I460-N482 WeakPolarHBondContact O-CA 3.36Å; I460-N482 WeakPolarHBondContact O-CB 3.37Å; I460-N482 PolarHBondContact O-N 2.8Å
461	A	25	Very low	25.4	Very low	75 Å²	75	103.2 Å²	103.2	62%	0.62	65%	0.648	S	S	*	*				46.4	102.5	62.9	0	0	0	0	0	112.4
462	E	23.5	Very low	25.6	Very low	150 Å²	150	101.1 Å²	101.1	70%	0.701	64%	0.636	S	S	*	*			trans	63.3	165.8	-171	-64.6	-171.9	105.2	0	0	111.9
463	A	26.3	Very low	25.7	Very low	81 Å²	81	105.4 Å²	105.4	67%	0.669	64%	0.643	S	S	*	*			cis	-134.9	153.5	18.4	0	0	0	0	0	110.4
464	T	24.1	Very low	25.7	Very low	85 Å²	85	107.3 Å²	107.3	52%	0.521	66%	0.655	S	S	.	*				37.8	128.5	71.8	55.2	0	0	0	0	112.7	R466	T464-R466 HydrophobicContact CG2-CG 3.98Å
465	A	23.4	Very low	25.4	Very low	91 Å²	91	106.9 Å²	106.9	75%	0.752	65%	0.652	S	S	*	*				-126.7	145.1	70.6	0	0	0	0	0	111.5
466	R	24.9	Very low	25.4	Very low	178 Å²	178	108 Å²	108	67%	0.672	66%	0.655	S	S	*	*			cis	60.4	91.8	43.2	-61.7	-178.6	-175.4	176	7.8	112.8	T464	T464-R466 HydrophobicContact CG2-CG 3.98Å
467	S	24.4	Very low	25.2	Very low	88 Å²	88	111.2 Å²	111.2	62%	0.615	67%	0.666	S	S	*	*			trans	-168.4	134.1	153.2	33.6	0	0	0	0	106.5
468	S	26.9	Very low	25.1	Very low	112 Å²	112	113.3 Å²	113.3	78%	0.783	68%	0.683	S	S	*	*	S	Bend	cis	-57	140.6	-4.8	52.7	0	0	0	0	113.9
469	D	32.1	Very low	25.3	Very low	154 Å²	154	117.7 Å²	117.7	82%	0.824	70%	0.701	S	S	*	*	S	Bend	cis	-109.2	145.8	-1.3	-60.6	-53.2	0	0	0	110.8
470	G	30.3	Very low	25.3	Very low	63 Å²	63	117.1 Å²	117.1	65%	0.649	70%	0.696	S	S	*	*	S	Bend	trans	124.7	23.2	171.6	0	0	0	0	0	118.9
471	D	30.5	Very low	25.3	Very low	128 Å²	128	117.6 Å²	117.6	68%	0.684	69%	0.693	S	S	*	*			trans	36.4	124.9	143.6	-71.7	-22	0	0	0	124
472	I	27.5	Very low	25.5	Very low	127 Å²	127	116 Å²	116	65%	0.651	67%	0.673	S	S	*	*				84.3	102	123.7	-65.8	173.5	0	0	0	120.8
473	Q	24.9	Very low	25.7	Very low	168 Å²	168	111 Å²	111	79%	0.785	66%	0.658	S	S	*	*				76.3	131.9	126.9	-70.5	-175.8	-0.5	0	0	125.1
474	V	23.5	Very low	25.8	Very low	124 Å²	124	114.3 Å²	114.3	75%	0.752	66%	0.659	S	S	*	*			trans	75.9	115.3	131.6	173.6	0	0	0	0	120.5
475	S	22.3	Very low	25.8	Very low	113 Å²	113	113.6 Å²	113.6	79%	0.79	67%	0.669	S	S	*	*			trans	44.6	128.6	141	-163.6	0	0	0	0	121.4
476	A	21.5	Very low	26.1	Very low	92 Å²	92	115.6 Å²	115.6	76%	0.76	67%	0.674	S	S	*	*			trans	93.2	126.2	167.8	0	0	0	0	0	117.4
477	E	21.3	Very low	26.4	Very low	188 Å²	188	112.4 Å²	112.4	88%	0.879	68%	0.679	S	S	*	*			trans	57.7	118.2	155.6	-55.9	-166.6	149.9	0	0	122.6
478	S	24.3	Very low	26.6	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	69%	0.694	S	S	*	*			trans	101	117.8	138.8	80	0	0	0	0	122.6
479	Q	24.8	Very low	26.4	Very low	181 Å²	181	116 Å²	116	85%	0.846	69%	0.688	S	S	*	*			trans	76.7	134.7	141	-64.5	-177.6	23	0	0	124.2
480	C	23.8	Very low	26.1	Very low	72 Å²	72	116.2 Å²	116.2	49%	0.486	69%	0.688	S	S	.	*			trans	91.2	48.9	148.8	-65.2	0	0	0	0	125.4	I460	I460-C480 HydrophobicContact CD1-CB 4.46Å
481	W	25.5	Very low	25.8	Very low	92 Å²	92	120.1 Å²	120.1	35%	0.348	69%	0.687	S	S	.	*			trans	69.9	-172.2	130.7	-56.2	-14.8	0	0	0	119.9	V453 N456 T457	V453-W481 HydrophobicContact CB-CH2 4.18Å; V453-W481 HydrophobicContact CB-CZ2 4.29Å; V453-W481 HydrophobicContact CG1-CH2 4.12Å; V453-W481 HydrophobicContact CG1-CZ2 3.72Å; V453-W481 HydrophobicContact CG2-CE3 4.29Å; V453-W481 HydrophobicContact CG2-CH2 3.54Å; V453-W481 HydrophobicContact CG2-CZ2 3.92Å; V453-W481 HydrophobicContact CG2-CZ3 3.72Å; N456-W481 PolarHBondContact OD1-NE1 3.42Å; T457-W481 HydrophobicContact CG2-CB 3.66Å; T457-W481 HydrophobicContact CG2-CD2 3.46Å; T457-W481 VanDerWaalsContact CG2-CD2 3.46Å; T457-W481 VanDerWaalsContact CG2-CE2 3.43Å; T457-W481 HydrophobicContact CG2-CE3 4.2Å; T457-W481 HydrophobicContact CG2-CG 3.28Å; T457-W481 HydrophobicContact CG2-CZ2 4.04Å
482	N	28.9	Very low	25.6	Very low	40 Å²	40	117.6 Å²	117.6	21%	0.214	67%	0.671	C	S	.	*			cis	-169.5	-176.5	-1.3	-136.7	-38.1	0	0	0	119.7	T457 D458 S459 I460	T457-N482 WeakPolarHBondContact CB-OD1 3.16Å; T457-N482 HydrophobicContact CG2-CB 4.46Å; T457-N482 WeakPolarHBondContact CG2-OD1 3.46Å; T457-N482 PolarHBondContact O-OD1 3.37Å; D458-N482 VanDerWaalsContact C-CG 3.45Å; D458-N482 WeakPolarHBondContact CA-ND2 3.27Å; D458-N482 WeakPolarHBondContact CA-OD1 3.47Å; D458-N482 PolarHBondContact N-ND2 3.02Å; D458-N482 PolarHBondContact N-OD1 2.87Å; D458-N482 PolarHBondContact O-ND2 3.01Å; S459-N482 VanDerWaalsContact C-CB 3.43Å; S459-N482 PolarHBondContact N-ND2 3.48Å; S459-N482 WeakPolarHBondContact O-CB 3.18Å; S459-N482 VanDerWaalsContact O-CG 3.23Å; S459-N482 PolarHBondContact O-ND2 2.85Å; I460-N482 HydrophobicContact CB-CB 4.04Å; I460-N482 CarbonylContact O-C 3.54Å; I460-N482 WeakPolarHBondContact O-CA 3.36Å; I460-N482 WeakPolarHBondContact O-CB 3.37Å; I460-N482 PolarHBondContact O-N 2.8Å
483	A	29.1	Very low	25.3	Very low	46 Å²	46	116 Å²	116	38%	0.38	67%	0.672	S	S	.	*			trans	33.9	147.7	143.8	0	0	0	0	0	126.3	S459	S459-A483 VanDerWaalsContact N-CB 3.31Å
484	Q	28.7	Very low	25.3	Very low	150 Å²	150	109.8 Å²	109.8	70%	0.701	65%	0.647	S	S	*	*			cis	-175.9	142.7	-24.7	-151	-172.1	84.7	0	0	109.4	D458	D458-Q484 PolarHBondContact OD1-NE2 3.28Å; D458-Q484 VanDerWaalsContact OD1-NE2 3.12Å; D458-Q484 PolarHBondContact OD2-NE2 3.01Å
485	G	22.5	Very low	25.5	Very low	70 Å²	70	110.1 Å²	110.1	72%	0.722	64%	0.643	S	S	*	*			cis	-101.9	-132	-23.9	0	0	0	0	0	110.5
486	P	30.7	Very low	25.6	Very low	133 Å²	133	111.3 Å²	111.3	86%	0.864	64%	0.64	S	S	*	*			cis	-129	-177.4	7.6	44.2	-29.8	0	0	0	115
487	S	31.1	Very low	25.7	Very low	111 Å²	111	113.6 Å²	113.6	78%	0.776	64%	0.638	S	S	*	*			trans	-163.9	163.1	160.7	62.9	0	0	0	0	111.2
488	Q	28.3	Very low	26	Very low	197 Å²	197	112.2 Å²	112.2	92%	0.921	63%	0.632	S	S	*	*			cis	-150.9	172.3	-37.4	-111.2	-178.7	7	0	0	107.7
489	A	22.9	Very low	26.2	Very low	79 Å²	79	114.4 Å²	114.4	65%	0.653	63%	0.634	S	S	*	*			trans	-118.6	167.7	-163.4	0	0	0	0	0	116.4	F491	A489-F491 HydrophobicContact CB-CE1 4.43Å; A489-F491 HydrophobicContact CB-CZ 4.19Å
490	L	26.2	Very low	26.2	Very low	158 Å²	158	111.9 Å²	111.9	83%	0.827	63%	0.631	S	S	*	*			trans	-149.9	176.3	171.8	-115.5	174.1	0	0	0	112.5
491	F	23.5	Very low	26.6	Very low	145 Å²	145	114.2 Å²	114.2	64%	0.636	65%	0.645	S	S	*	*			trans	-157.6	169.1	-136.6	-70.9	-37.7	0	0	0	113.1	A489	A489-F491 HydrophobicContact CB-CE1 4.43Å; A489-F491 HydrophobicContact CB-CZ 4.19Å
492	Q	26.1	Very low	26.8	Very low	75 Å²	75	114 Å²	114	35%	0.35	66%	0.658	S	S	.	*			cis	-161.6	-177.2	-9.3	-104.6	150.7	9.6	0	0	109.5	A563 A565 C566	Q492-A563 WeakPolarHBondContact CG-O 3.34Å; Q492-A563 PolarHBondContact NE2-O 2.97Å; Q492-A563 PolarHBondContact OE1-O 3.12Å; Q492-A565 CarbonylContact C-O 3.53Å; Q492-A565 CarbonylContact O-C 3.42Å; Q492-C566 WeakPolarHBondContact O-CA 3.29Å; Q492-C566 PolarHBondContact O-N 3.42Å
493	S	20.6	Very low	26.9	Very low	95 Å²	95	118.3 Å²	118.3	66%	0.664	68%	0.677	S	S	*	*			trans	-165.1	109.2	177.1	60.4	0	0	0	0	116.6	V564	S493-V564 CarbonylContact C-O 3.13Å; S493-V564 WeakPolarHBondContact CA-O 3.41Å; S493-V564 PolarHBondContact N-O 2.87Å; S493-V564 VanDerWaalsContact N-O 3.17Å
494	S	25.4	Very low	27	Very low	37 Å²	37	125.8 Å²	125.8	26%	0.259	70%	0.695	S	S	.	*			trans	178.4	179.1	178.8	67.3	0	0	0	0	109.4	A563 V564	S494-A563 WeakPolarHBondContact OG-CB 3.34Å; S494-V564 PolarHBondContact N-O 3.35Å; S494-V564 PolarHBondContact OG-O 2.93Å
495	L	27.4	Very low	26.9	Very low	130 Å²	130	124.4 Å²	124.4	68%	0.681	70%	0.697	S	S	*	*			cis	-166.5	-174.8	-11.1	-126.4	173.2	0	0	0	109.7	L561	L495-L561 HydrophobicContact CD1-CD1 3.74Å
496	I	25.2	Very low	27.1	Very low	139 Å²	139	124.9 Å²	124.9	71%	0.713	69%	0.689	S	S	*	*			trans	76.6	158.8	157.8	-112.3	173.8	0	0	0	116.6
497	L	24.5	Very low	26.9	Very low	139 Å²	139	127.1 Å²	127.1	73%	0.728	69%	0.688	S	S	*	*			cis	-116.8	-126	2	-129.8	179.9	0	0	0	112.2
498	Q	26.1	Very low	26.7	Very low	160 Å²	160	130.5 Å²	130.5	75%	0.748	69%	0.689	S	S	*	*			cis	-159.8	156.1	-0.6	-159.7	146.7	-78.6	0	0	113.9
499	L	29.3	Very low	26.6	Very low	153 Å²	153	126.7 Å²	126.7	80%	0.801	68%	0.679	S	S	*	*			trans	49.6	126.8	166.7	-91.4	170.8	0	0	0	123
500	V	24.1	Very low	26.9	Very low	129 Å²	129	128 Å²	128	78%	0.782	68%	0.683	S	S	*	*			trans	-136.6	151.3	168.1	-158.5	0	0	0	0	106.8
501	P	32.3	Very low	26.8	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	68%	0.68	S	S	*	*				-141.3	-179.2	110.5	41.6	-27.7	0	0	0	110.7
502	S	29.5	Very low	26.8	Very low	89 Å²	89	126.6 Å²	126.6	62%	0.622	69%	0.685	S	S	*	*			cis	-153.6	-177.1	19.4	82.5	0	0	0	0	109.8
503	E	31.4	Very low	26.9	Very low	130 Å²	130	133.6 Å²	133.6	61%	0.607	71%	0.709	S	S	*	*			cis	-157.8	156.9	-2.2	-124.8	160.5	124.8	0	0	109.7
504	R	30.6	Very low	27.1	Very low	202 Å²	202	130.8 Å²	130.8	76%	0.762	70%	0.695	S	S	*	*				50.4	142.6	102.7	-67.5	-172.8	-170.8	143	-9	117.2
505	T	28.3	Very low	26.9	Very low	121 Å²	121	133 Å²	133	74%	0.742	71%	0.71	S	S	*	*			cis	-165.9	172.2	-0	13	0	0	0	0	108.6
506	S	26.6	Very low	26.7	Very low	80 Å²	80	132.7 Å²	132.7	56%	0.559	70%	0.703	S	S	*	*			cis	-171.4	139.6	-7.9	42.7	0	0	0	0	111.6
507	H	25	Very low	26.7	Very low	181 Å²	181	128.8 Å²	128.8	84%	0.838	69%	0.692	S	S	*	*			trans	61.3	166.9	150.7	-55.1	-42.1	0	0	0	117.4
508	K	27.2	Very low	26.9	Very low	182 Å²	182	127.6 Å²	127.6	79%	0.791	69%	0.686	S	S	*	*			cis	-154.6	150.5	12	-148	166.2	-175.3	177.9	0	112.2
509	T	27	Very low	27.1	Very low	116 Å²	116	126 Å²	126	71%	0.712	68%	0.679	S	S	*	*			trans	56.2	111.2	150.7	38.2	0	0	0	0	123.3
510	S	28.5	Very low	27.1	Very low	106 Å²	106	121.6 Å²	121.6	74%	0.741	66%	0.658	S	S	*	*				107.7	146.1	108.9	77.8	0	0	0	0	122.5
511	C	24.7	Very low	27.2	Very low	113 Å²	113	120.7 Å²	120.7	76%	0.764	65%	0.648	S	S	*	*			trans	51.9	113.5	146.4	-66.9	0	0	0	0	123
512	H	23.8	Very low	26.8	Very low	161 Å²	161	119 Å²	119	75%	0.745	64%	0.636	S	S	*	*				22.5	98.7	128.1	-81.5	-82.2	0	0	0	119.3
513	R	28.7	Very low	26.8	Very low	223 Å²	223	118 Å²	118	84%	0.842	63%	0.627	S	S	*	*				-179.2	-169.7	115.4	-106.6	176.5	167	176.2	-4.6	109.6
514	G	23.9	Very low	26.4	Very low	36 Å²	36	115.3 Å²	115.3	37%	0.371	62%	0.622	S	S	.	*				122.9	-56.7	124.1	0	0	0	0	0	117.9	S370	S370-G514 PolarHBondContact N-O 3.47Å
515	S	21.5	Very low	26.1	Very low	83 Å²	83	112.9 Å²	112.9	58%	0.58	62%	0.617	S	S	*	*			trans	-80.4	-167.7	-177.7	62.4	0	0	0	0	112.9	S370 L371	S370-S515 CarbonylContact C-O 3.53Å; L371-S515 WeakPolarHBondContact CB-O 3.47Å; L371-S515 WeakPolarHBondContact CD1-OG 3.4Å
516	F	21.8	Very low	26.3	Very low	123 Å²	123	111.7 Å²	111.7	54%	0.539	61%	0.612	S	S	.	*			trans	79.6	179.2	-149.7	-163.7	-106.7	0	0	0	112
517	A	26.6	Very low	26.2	Very low	58 Å²	58	118.5 Å²	118.5	48%	0.479	63%	0.625	S	S	.	*			trans	69.5	105.7	-156.8	0	0	0	0	0	113.7
518	D	28.9	Very low	26.3	Very low	113 Å²	113	119.4 Å²	119.4	60%	0.604	63%	0.626	S	S	*	*			cis	-153	138.9	3.1	-103	-39	0	0	0	117.7
519	Q	29.5	Very low	26.2	Very low	127 Å²	127	116.5 Å²	116.5	59%	0.593	62%	0.624	S	S	*	*			trans	79.3	155.8	132.3	-74.2	170.8	45.4	0	0	125.5
520	T	28.7	Very low	26.2	Very low	60 Å²	60	115.2 Å²	115.2	37%	0.368	63%	0.625	S	S	.	*			cis	-171.5	152.1	-44.4	24.9	0	0	0	0	109.9	K378	K378-T520 VanDerWaalsContact CD-O 3.22Å; K378-T520 WeakPolarHBondContact CD-O 3.46Å; K378-T520 PolarHBondContact NZ-O 2.66Å; K378-T520 VanDerWaalsContact NZ-O 3.11Å
521	L	27.2	Very low	26.2	Very low	110 Å²	110	121 Å²	121	58%	0.576	63%	0.631	S	S	*	*			cis	-129.6	153.5	-11.4	-53.1	88.9	0	0	0	111.1	A376 A377 K378	A376-L521 HydrophobicContact CB-CB 4.09Å; A376-L521 HydrophobicContact CB-CD2 3.79Å; A376-L521 HydrophobicContact CB-CG 4.42Å; A376-L521 WeakPolarHBondContact O-CA 3.12Å; A376-L521 WeakPolarHBondContact O-CB 3.38Å; A376-L521 VanDerWaalsContact O-CG 3.25Å; A376-L521 WeakPolarHBondContact O-CG 3.45Å; A377-L521 CarbonylContact O-C 3.45Å; K378-L521 WeakPolarHBondContact CG-O 3.45Å; K378-L521 PolarHBondContact NZ-O 3.44Å
522	V	24.4	Very low	26.4	Very low	86 Å²	86	121.6 Å²	121.6	52%	0.521	63%	0.631	S	S	.	*			trans	-154.9	-32.3	-169.9	100.3	0	0	0	0	126.1	A377 K378	A377-V522 WeakPolarHBondContact O-CB 3.07Å; A377-V522 WeakPolarHBondContact O-CG1 3.16Å; A377-V522 PolarHBondContact O-N 2.82Å; K378-V522 HydrophobicContact CB-CB 4.3Å; K378-V522 HydrophobicContact CG-CB 3.71Å; K378-V522 HydrophobicContact CG-CG2 4.04Å
523	P	28.6	Very low	26.5	Very low	66 Å²	66	121.9 Å²	121.9	43%	0.429	64%	0.635	S	S	.	*			trans	-98.9	-164.9	-154.4	37	-25.9	0	0	0	114.6	A376 A377	A376-P523 VanDerWaalsContact CA-CD 3.47Å; A377-P523 WeakPolarHBondContact O-CD 3.46Å
524	C	23.7	Very low	26.6	Very low	75 Å²	75	116.3 Å²	116.3	51%	0.507	63%	0.627	S	S	.	*				-169.9	119.1	77.4	-69	0	0	0	0	114.5	H375	H375-C524 WeakPolarHBondContact CB-SG 3.25Å
525	F	23.8	Very low	26.7	Very low	151 Å²	151	122.8 Å²	122.8	66%	0.662	65%	0.653	S	S	*	*				54.2	158.9	125	-90.5	-114.8	0	0	0	124	H375	H375-F525 WeakPolarHBondContact CE1-CB 3.36Å; H375-F525 AromaticContact CE1-CD1 3.65Å; H375-F525 AromaticContact CE1-CD2 4Å; H375-F525 AromaticContact CE1-CG 3.34Å; H375-F525 WeakPolarHBondContact CE1-CG 3.35Å; H375-F525 AromaticContact ND1-CG 3.99Å; H375-F525 WeakPolarHBondContact NE2-CB 3.32Å
526	P	31.7	Very low	26.9	Very low	96 Å²	96	122.9 Å²	122.9	62%	0.623	66%	0.658	S	S	*	*			trans	-146.1	-150.9	-142.8	43	-19.6	0	0	0	115.7
527	R	25.9	Very low	26.9	Very low	223 Å²	223	122 Å²	122	84%	0.842	66%	0.663	S	S	*	*			trans	73.3	158.6	170.6	-67.8	165.8	168.3	-177.1	-5	114
528	K	26.6	Very low	26.9	Very low	199 Å²	199	122.5 Å²	122.5	87%	0.865	66%	0.657	S	S	*	*			cis	-130.9	162.3	20.7	-65	166.7	-174	171.7	0	110.1
529	V	24.9	Very low	26.8	Very low	121 Å²	121	122.2 Å²	122.2	73%	0.733	66%	0.655	S	S	*	*			cis	99.2	86.8	21.7	-178.1	0	0	0	0	116.4
530	A	25.9	Very low	26.5	Very low	90 Å²	90	123.5 Å²	123.5	74%	0.744	66%	0.661	S	S	*	*				63	164.4	126.1	0	0	0	0	0	126.1
531	R	28.7	Very low	26.5	Very low	228 Å²	228	126 Å²	126	86%	0.86	68%	0.678	S	S	*	*			trans	94.4	153.3	167.8	-58.1	-179.1	169.1	-178.2	-5.2	116.2
532	T	29.9	Very low	26.4	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	69%	0.692	S	S	*	*			cis	-144.9	142.4	29.4	39	0	0	0	0	113.1
533	M	24.8	Very low	26.2	Very low	167 Å²	167	127.4 Å²	127.4	82%	0.823	70%	0.7	S	S	*	*				79.4	158.9	72.2	-91.6	178	156.1	0	0	117.1
534	P	31.1	Very low	25.8	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	72%	0.717	S	S	*	*			cis	-146.1	-173.2	-19.2	37.3	-14	0	0	0	119.1
535	L	25.6	Very low	25.8	Very low	172 Å²	172	131 Å²	131	90%	0.901	73%	0.726	S	S	*	*			trans	85.8	168.8	162.7	-57.1	179.9	0	0	0	121.6
536	A	25.8	Very low	25.8	Very low	85 Å²	85	130.9 Å²	130.9	70%	0.702	73%	0.732	S	S	*	*			cis	177.7	173.4	-32.7	0	0	0	0	0	111.5
537	V	22.5	Very low	25.4	Very low	103 Å²	103	132.5 Å²	132.5	62%	0.624	74%	0.74	S	S	*	*			cis	-175.7	139	-19.7	136.7	0	0	0	0	116.3	P551	V537-P551 HydrophobicContact CG1-CB 3.9Å
538	D	26.3	Very low	25.2	Very low	69 Å²	69	129.9 Å²	129.9	37%	0.369	74%	0.737	S	S	.	*			trans	62.5	-165.3	151.4	-64.3	-39.4	0	0	0	129.2	H550 P551 L553	D538-H550 WeakPolarHBondContact O-CB 3.36Å; D538-H550 PolarHBondContact O-CD2 3.48Å; D538-P551 HydrophobicContact CB-CB 3.77Å; D538-L553 WeakPolarHBondContact OD2-CA 3.01Å; D538-L553 PolarHBondContact OD2-N 3.13Å
539	I	26.4	Very low	24.9	Very low	108 Å²	108	126.9 Å²	126.9	55%	0.554	73%	0.73	S	S	*	*			trans	-117	145.2	-136.9	-55.8	150.2	0	0	0	120.1	H550	I539-H550 VanDerWaalsContact C-CB 3.49Å; I539-H550 WeakPolarHBondContact O-CB 3.15Å
540	E	23.3	Very low	24.9	Very low	154 Å²	154	125.6 Å²	125.6	72%	0.72	72%	0.716	S	S	*	*			trans	171.6	162.2	134.6	-107.8	-162.4	167.6	0	0	116.7	H550	E540-H550 PolarHBondContact N-CE1 3.42Å; E540-H550 PolarHBondContact N-ND1 2.75Å; E540-H550 VanDerWaalsContact N-ND1 3.11Å; E540-H550 PolarHBondContact O-CE1 2.86Å
541	P	30.2	Very low	25.1	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	71%	0.708	S	S	*	*			trans	-127.8	-172.6	-176.3	45.1	-31	0	0	0	118.1
542	V	25.3	Very low	24.9	Very low	145 Å²	145	117.1 Å²	117.1	88%	0.879	69%	0.687	S	S	*	*			trans	-12.1	125.4	169.5	177.4	0	0	0	0	115.9
543	A	19.5	Very low	24.8	Very low	82 Å²	82	116.5 Å²	116.5	68%	0.678	68%	0.679	S	S	*	*	S	Bend	cis	-140.6	173.5	44.4	0	0	0	0	0	116.2
544	C	20.9	Very low	24.9	Very low	118 Å²	118	118.1 Å²	118.1	80%	0.797	68%	0.676	S	S	*	*	S	Bend	trans	66.5	105	173.6	-67.6	0	0	0	0	117.8
545	S	22.6	Very low	24.8	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	67%	0.671	S	S	*	*	S	Bend	trans	49.9	113.5	142.7	59.5	0	0	0	0	120.2
546	N	24.1	Very low	24.9	Very low	148 Å²	148	117.2 Å²	117.2	79%	0.791	66%	0.664	S	S	*	*	S	Bend	trans	69	114.8	151.7	-51.8	-25.9	0	0	0	117.7
547	T	22.5	Very low	25	Very low	130 Å²	130	118.8 Å²	118.8	80%	0.798	66%	0.661	S	S	*	*			trans	62.1	120.4	153.6	42.4	0	0	0	0	119.9
548	Q	21.4	Very low	25.2	Very low	168 Å²	168	120.5 Å²	120.5	79%	0.785	67%	0.665	S	S	*	*			trans	85	127.4	148.3	-68.1	-174.6	8.8	0	0	121.7
549	L	21.5	Very low	25.3	Very low	137 Å²	137	123.6 Å²	123.6	72%	0.717	68%	0.682	S	S	*	*			trans	81	159.1	132.7	-70.8	170.2	0	0	0	122.1
550	H	25	Very low	25.2	Very low	94 Å²	94	123.3 Å²	123.3	44%	0.435	69%	0.689	S	S	.	*			trans	-148	161.3	-167	-50	-35.2	0	0	0	107.1	D538 I539 E540	D538-H550 WeakPolarHBondContact O-CB 3.36Å; D538-H550 PolarHBondContact O-CD2 3.48Å; I539-H550 VanDerWaalsContact C-CB 3.49Å; I539-H550 WeakPolarHBondContact O-CB 3.15Å; E540-H550 PolarHBondContact N-CE1 3.42Å; E540-H550 PolarHBondContact N-ND1 2.75Å; E540-H550 VanDerWaalsContact N-ND1 3.11Å; E540-H550 PolarHBondContact O-CE1 2.86Å
551	P	29.8	Very low	25.8	Very low	87 Å²	87	120.9 Å²	120.9	57%	0.565	68%	0.68	S	S	*	*				-148.3	-155.7	73.5	33.2	-6.5	0	0	0	111.7	V537 D538	V537-P551 HydrophobicContact CG1-CB 3.9Å; D538-P551 HydrophobicContact CB-CB 3.77Å
552	A	24.4	Very low	26.3	Very low	53 Å²	53	120.5 Å²	120.5	44%	0.438	68%	0.677	S	S	.	*			cis	-171.3	149.3	21.4	0	0	0	0	0	114.6
553	L	27.4	Very low	26.5	Very low	112 Å²	112	115.1 Å²	115.1	59%	0.586	65%	0.648	S	S	*	*				142.2	108.7	119	-69.8	-178.5	0	0	0	118.2	D538	D538-L553 WeakPolarHBondContact OD2-CA 3.01Å; D538-L553 PolarHBondContact OD2-N 3.13Å
554	R	27.8	Very low	26.9	Very low	200 Å²	200	115.4 Å²	115.4	76%	0.755	64%	0.641	S	S	*	*				75.8	148.5	128.4	-64.3	-173.4	177.3	162.1	5.3	120.1
555	T	28.6	Very low	27.3	Very low	97 Å²	97	112.2 Å²	112.2	60%	0.595	62%	0.623	S	S	*	*			cis	-164.1	141.6	-1.4	17.6	0	0	0	0	114.2
556	Q	27.6	Very low	27.4	Very low	162 Å²	162	110.5 Å²	110.5	76%	0.757	61%	0.611	S	S	*	*			trans	68	146.5	142.7	-64	171.3	16.4	0	0	120.1
557	N	28.7	Very low	27.6	Very low	118 Å²	118	111.6 Å²	111.6	63%	0.631	61%	0.611	S	S	*	*			cis	-163.7	142.7	-11.2	-111.1	-7.5	0	0	0	111.9
558	I	26	Very low	27.9	Very low	139 Å²	139	111.7 Å²	111.7	71%	0.713	61%	0.607	S	S	*	*			trans	40.2	119.1	130.9	-56.1	170.1	0	0	0	116.8
559	D	27.9	Very low	28.1	Very low	134 Å²	134	112.6 Å²	112.6	72%	0.717	61%	0.608	S	S	*	*			cis	-166.2	-175.7	8.5	-129.6	59.7	0	0	0	108
560	C	25	Very low	28.5	Very low	103 Å²	103	111.9 Å²	111.9	70%	0.696	61%	0.609	S	S	*	*			cis	-153	144.8	8	-168.5	0	0	0	0	111.3
561	L	35.8	Very low	28.5	Very low	102 Å²	102	113 Å²	113	53%	0.534	62%	0.623	S	S	.	*			trans	-157.6	159.1	151.5	-123.3	174.7	0	0	0	106.8	L495 A563	L495-L561 HydrophobicContact CD1-CD1 3.74Å; L561-A563 HydrophobicContact CB-CB 4.06Å; L561-A563 HydrophobicContact CD1-CB 4.26Å; L561-A563 HydrophobicContact CD2-CB 4.18Å; L561-A563 HydrophobicContact CG-CB 4.38Å
562	P	39.8	Very low	28.2	Very low	104 Å²	104	115 Å²	115	68%	0.675	63%	0.629	S	S	*	*				-140.1	137.7	111.3	20.4	-0.2	0	0	0	113.6
563	A	30	Very low	28.4	Very low	32 Å²	32	118.6 Å²	118.6	26%	0.264	64%	0.637	S	S	.	*			cis	68.4	-175.3	18.6	0	0	0	0	0	112.6	Q492 S494 L561	Q492-A563 WeakPolarHBondContact CG-O 3.34Å; Q492-A563 PolarHBondContact NE2-O 2.97Å; Q492-A563 PolarHBondContact OE1-O 3.12Å; S494-A563 WeakPolarHBondContact OG-CB 3.34Å; L561-A563 HydrophobicContact CB-CB 4.06Å; L561-A563 HydrophobicContact CD1-CB 4.26Å; L561-A563 HydrophobicContact CD2-CB 4.18Å; L561-A563 HydrophobicContact CG-CB 4.38Å
564	V	27.8	Very low	28.3	Very low	87 Å²	87	123.6 Å²	123.6	53%	0.527	65%	0.648	S	S	.	*			cis	-109.3	-110.1	8	-161	0	0	0	0	112.6	S493 S494	S493-V564 CarbonylContact C-O 3.13Å; S493-V564 WeakPolarHBondContact CA-O 3.41Å; S493-V564 PolarHBondContact N-O 2.87Å; S493-V564 VanDerWaalsContact N-O 3.17Å; S494-V564 PolarHBondContact N-O 3.35Å; S494-V564 PolarHBondContact OG-O 2.93Å
565	A	29	Very low	28.3	Very low	51 Å²	51	120.8 Å²	120.8	42%	0.421	65%	0.653	S	S	.	*			trans	-139.8	176.2	-155.2	0	0	0	0	0	114.8	Q492	Q492-A565 CarbonylContact C-O 3.53Å; Q492-A565 CarbonylContact O-C 3.42Å
566	C	26	Very low	28.4	Very low	62 Å²	62	124.9 Å²	124.9	42%	0.419	67%	0.665	S	S	.	*			cis	176.4	-177.2	-40.4	-147.6	0	0	0	0	108.9	Q492	Q492-C566 WeakPolarHBondContact O-CA 3.29Å; Q492-C566 PolarHBondContact O-N 3.42Å
567	Q	27.5	Very low	28.5	Very low	172 Å²	172	125.7 Å²	125.7	80%	0.804	67%	0.669	S	S	*	*			trans	58.9	-173.6	142.7	-75	158.7	-3.9	0	0	122.4
568	N	29.1	Very low	28.7	Very low	132 Å²	132	125.7 Å²	125.7	71%	0.706	68%	0.676	S	S	*	*				-178.1	162.1	-61	-159.7	5.9	0	0	0	111.7
569	K	26.3	Very low	28.5	Very low	186 Å²	186	124.9 Å²	124.9	81%	0.809	68%	0.68	S	S	*	*			trans	65.7	168.6	167.6	-66.1	-169.2	176.4	-173	0	115.5
570	T	28.9	Very low	28.4	Very low	122 Å²	122	126.2 Å²	126.2	75%	0.748	68%	0.683	S	S	*	*			cis	-138.1	171.2	23.6	47.7	0	0	0	0	116.1
571	T	24.1	Very low	28.3	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	68%	0.682	S	S	*	*			trans	-26.7	157.5	160.2	51.5	0	0	0	0	116.3
572	D	24.9	Very low	27.8	Very low	128 Å²	128	130.3 Å²	130.3	68%	0.684	69%	0.692	S	S	*	*			cis	-155.5	-160.7	33.4	-144.2	3.2	0	0	0	110.6
573	Q	27.6	Very low	27.1	Very low	129 Å²	129	130.7 Å²	130.7	60%	0.603	69%	0.693	S	S	*	*			cis	-164	176.8	9.1	-150	155.4	74.1	0	0	111.6
574	W	26.1	Very low	26.9	Very low	218 Å²	218	136.8 Å²	136.8	83%	0.826	72%	0.721	S	S	*	*			trans	44	79.4	165.2	-51.7	102.6	0	0	0	119.6
575	T	28.3	Very low	26.8	Very low	141 Å²	141	136.1 Å²	136.1	87%	0.865	73%	0.732	S	S	*	*				161.8	152.7	118.2	38.4	0	0	0	0	111.6
576	H	30.6	Very low	26.6	Very low	182 Å²	182	141.5 Å²	141.5	84%	0.843	75%	0.753	S	S	*	*			trans	-118.6	146.8	-173.8	-73.7	-121.1	0	0	0	112.1
577	E	30.2	Very low	26.7	Very low	180 Å²	180	143.8 Å²	143.8	84%	0.841	77%	0.767	S	S	*	*			trans	71	163.7	149.5	-69.2	-107.9	90.4	0	0	119
578	P	30.9	Very low	26.6	Very low	118 Å²	118	140 Å²	140	77%	0.766	76%	0.758	S	S	*	*			trans	-101.6	-170.2	-154.2	39.9	-36.6	0	0	0	116.4
579	C	23.8	Very low	26.3	Very low	121 Å²	121	140.6 Å²	140.6	82%	0.818	76%	0.76	S	S	*	*			trans	-78.4	119.9	-158.7	-172.8	0	0	0	0	116.6
580	E	24	Very low	26.7	Very low	163 Å²	163	137 Å²	137	76%	0.762	76%	0.756	S	S	*	*			trans	168.2	142.7	134	-97.9	-178.8	-145	0	0	108.1
581	L	24.3	Very low	26.5	Very low	130 Å²	130	136.2 Å²	136.2	68%	0.681	75%	0.747	S	S	*	*			cis	-147.2	162.1	17.7	-91.1	122.2	0	0	0	112.7
582	Q	24.2	Very low	26.9	Very low	160 Å²	160	136.1 Å²	136.1	75%	0.748	75%	0.748	S	S	*	*			trans	67.5	142.4	142.6	-80.9	-177.3	12.9	0	0	124.9
583	T	25.1	Very low	26.9	Very low	112 Å²	112	136.1 Å²	136.1	69%	0.687	74%	0.744	S	S	*	*			trans	80.5	135.6	151.6	52.5	0	0	0	0	122.5
584	N	26	Very low	26.9	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	76%	0.756	S	S	*	*			trans	57.1	110.1	150.3	-57	-16.1	0	0	0	119.4
585	G	25.7	Very low	26.9	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	75%	0.751	S	S	*	*			trans	139.2	78.1	159	0	0	0	0	0	116.5
586	L	25.6	Very low	27	Very low	165 Å²	165	126 Å²	126	86%	0.864	74%	0.735	S	S	*	*			trans	-77.2	129.6	131.1	-68.3	168.6	0	0	0	104.9
587	P	27.6	Very low	26.6	Very low	110 Å²	110	129 Å²	129	71%	0.714	74%	0.739	S	S	*	*				-115.3	151.5	66.8	0.1	22.9	0	0	0	112.9
588	C	25	Very low	26.3	Very low	93 Å²	93	123.4 Å²	123.4	63%	0.628	72%	0.72	S	S	*	*				48.5	102.3	83.5	-56.9	0	0	0	0	112.1
589	L	23.7	Very low	26.3	Very low	143 Å²	143	127.4 Å²	127.4	75%	0.749	72%	0.72	S	S	*	*				79.2	159	98.4	-76.6	164.8	0	0	0	113.7	L591	L589-L591 HydrophobicContact CD2-CD1 4.34Å
590	P	34	Very low	26.8	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	72%	0.717	S	S	*	*			cis	-114.2	171.3	-16.9	35.7	-16.8	0	0	0	109.3
591	L	25.2	Very low	26.9	Very low	106 Å²	106	125.8 Å²	125.8	56%	0.555	72%	0.715	S	S	*	*				48.1	134.4	57.6	-70.7	164.7	0	0	0	111.4	L589	L589-L591 HydrophobicContact CD2-CD1 4.34Å
592	P	32.6	Very low	27	Very low	115 Å²	115	124.9 Å²	124.9	75%	0.747	72%	0.716	S	S	*	*				-123.2	146.6	70.9	5.6	18.5	0	0	0	111.1
593	H	23.8	Very low	27.3	Very low	129 Å²	129	125.8 Å²	125.8	60%	0.597	72%	0.717	S	S	*	*				54.6	120.6	71.8	-50.6	-50.1	0	0	0	111.6
594	S	27.4	Very low	27.2	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	72%	0.72	S	S	*	*	S	Bend		-141.1	152.2	58.7	50.3	0	0	0	0	112.7
595	A	27.9	Very low	27.3	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	72%	0.72	S	S	*	*	S	Bend	cis	-139.2	125.8	-4.9	0	0	0	0	0	107.7
596	A	28.7	Very low	27.4	Very low	65 Å²	65	130.9 Å²	130.9	54%	0.537	73%	0.726	S	S	.	*				82.3	134.9	92.3	0	0	0	0	0	113.3
597	R	22.6	Very low	27.6	Very low	245 Å²	245	127.7 Å²	127.7	93%	0.925	72%	0.716	S	S	*	*	S	Bend	cis	41.6	121.6	6.8	-90.8	-165.1	178.4	-165.6	1.5	116.7
598	S	25.1	Very low	27.8	Very low	64 Å²	64	130 Å²	130	45%	0.448	72%	0.722	S	S	.	*			trans	72.8	146.8	-150.1	81	0	0	0	0	112	E600	S598-E600 WeakPolarHBondContact CB-OE2 3.44Å
599	R	29.2	Very low	28	Very low	202 Å²	202	129 Å²	129	76%	0.762	73%	0.727	S	S	*	*			cis	-110.2	135.9	4.7	-71.4	169.9	-175.9	174.2	-0.1	109.7	A601	R599-A601 CarbonylContact C-O 3.29Å; R599-A601 VanDerWaalsContact O-O 3.13Å
600	E	35.1	Very low	28.2	Very low	161 Å²	161	132.5 Å²	132.5	75%	0.752	73%	0.732	S	S	*	*				63.8	77.7	50.4	-59.2	174.9	133.9	0	0	110.3	S598	S598-E600 WeakPolarHBondContact CB-OE2 3.44Å
601	A	25.6	Very low	27.8	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	73%	0.73	S	S	*	*	S	Bend	trans	54.2	-169.3	-156.6	0	0	0	0	0	112.6	R599 K603	R599-A601 CarbonylContact C-O 3.29Å; R599-A601 VanDerWaalsContact O-O 3.13Å; A601-K603 PolarHBondContact O-N 3.4Å
602	T	26.5	Very low	27.8	Very low	112 Å²	112	129.7 Å²	129.7	69%	0.687	72%	0.718	S	S	*	*	S	Bend	trans	-33.7	117.1	179.1	53	0	0	0	0	117
603	K	30.4	Very low	27.6	Very low	179 Å²	179	127.7 Å²	127.7	78%	0.778	71%	0.707	S	S	*	*				164.4	134.7	115.1	-86.7	152.1	-172.1	174.4	0	116.1	A601	A601-K603 PolarHBondContact O-N 3.4Å
604	C	23.9	Very low	27.6	Very low	110 Å²	110	125.8 Å²	125.8	74%	0.743	71%	0.707	S	S	*	*			trans	69.4	103.3	144.8	-60.9	0	0	0	0	123.8
605	N	28.6	Very low	27.5	Very low	161 Å²	161	123.5 Å²	123.5	86%	0.861	69%	0.692	S	S	*	*				73.1	142.9	128.9	-61	-3	0	0	0	124.3
606	M	27.8	Very low	27.3	Very low	180 Å²	180	129 Å²	129	89%	0.887	70%	0.695	S	S	*	*			trans	-80.9	-171.1	166.7	-55.2	-165.3	-165.5	0	0	111.6
607	P	30	Very low	27.2	Very low	98 Å²	98	132.9 Å²	132.9	64%	0.636	71%	0.707	S	S	*	*			cis	-151	-178.2	10.3	46.2	-25.2	0	0	0	121.1
608	N	31.3	Very low	27.4	Very low	160 Å²	160	128.9 Å²	128.9	86%	0.856	70%	0.696	S	S	*	*			trans	69	136.3	150.9	-63.9	-27.6	0	0	0	122.2
609	G	29.2	Very low	27.4	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	71%	0.714	S	S	*	*			trans	171.6	16.6	162.4	0	0	0	0	0	127.9
610	Y	27.8	Very low	27.4	Very low	218 Å²	218	128.9 Å²	128.9	86%	0.855	71%	0.707	S	S	*	*			trans	57.7	112.9	158.5	-74.3	-83.4	0	0	0	124.8
611	V	25.8	Very low	26.8	Very low	113 Å²	113	126.7 Å²	126.7	69%	0.685	71%	0.709	S	S	*	*				63.2	124.1	118.9	166	0	0	0	0	120.8
612	S	25.4	Very low	26.8	Very low	44 Å²	44	131 Å²	131	31%	0.308	71%	0.712	S	S	.	*				-176.5	-173.8	78	72.3	0	0	0	0	116.7	P924 M925	S612-P924 CarbonylContact O-C 3.53Å; S612-M925 WeakPolarHBondContact O-CB 3.45Å; S612-M925 WeakPolarHBondContact O-CG 3.34Å
613	S	27.9	Very low	26.5	Very low	73 Å²	73	130 Å²	130	51%	0.51	72%	0.715	S	S	.	*			trans	61.1	97.4	148.2	-47.2	0	0	0	0	125.8	P924 M925	S613-P924 CarbonylContact C-O 3.51Å; S613-M925 WeakPolarHBondContact O-CA 3.36Å; S613-M925 WeakPolarHBondContact O-CG 3.47Å
614	C	23.4	Very low	26.4	Very low	89 Å²	89	128.4 Å²	128.4	60%	0.601	71%	0.714	S	S	*	*			trans	-82.7	153	173.1	3.5	0	0	0	0	116.2	P924	C614-P924 VanDerWaalsContact CA-O 3.26Å; C614-P924 WeakPolarHBondContact CA-O 3.49Å; C614-P924 PolarHBondContact N-O 2.9Å
615	S	26.2	Very low	26.6	Very low	76 Å²	76	131.9 Å²	131.9	53%	0.531	72%	0.72	S	S	.	*			trans	-169.3	159.7	139.6	82.7	0	0	0	0	109.8
616	Y	23.5	Very low	26.4	Very low	202 Å²	202	132.5 Å²	132.5	79%	0.792	72%	0.717	S	S	*	*			cis	-150	120.1	-5.1	-159	-73.2	0	0	0	107.2	K618	Y616-K618 HydrophobicContact CE1-CB 4.42Å
617	N	25.3	Very low	26.5	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	71%	0.711	S	S	*	*			trans	-139	135.4	173.6	-161.5	-5.1	0	0	0	110.4
618	K	28.2	Very low	26.2	Very low	161 Å²	161	135.6 Å²	135.6	70%	0.7	72%	0.723	S	S	*	*			trans	-157	50.5	-170.5	-103.1	-150.8	173.8	-162	0	115.5	Y616	Y616-K618 HydrophobicContact CE1-CB 4.42Å
619	E	24.2	Very low	26.1	Very low	175 Å²	175	134 Å²	134	82%	0.818	72%	0.721	S	S	*	*			trans	-62.6	134.4	132.4	-63.5	-170	129.9	0	0	108.8
620	C	29.1	Very low	25.9	Very low	91 Å²	91	141.6 Å²	141.6	62%	0.615	73%	0.728	S	S	*	*			trans	-165.8	63.1	171.5	-101.9	0	0	0	0	110.4	F622	C620-F622 HydrophobicContact CB-CE2 4.48Å; C620-F622 PolarHBondContact O-N 3.22Å
621	S	22.2	Very low	25.8	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	72%	0.718	S	S	*	*			trans	-61.9	115.4	159.1	37.7	0	0	0	0	109.2	A623	S621-A623 PolarHBondContact O-N 3.3Å
622	F	25.4	Very low	25.8	Very low	178 Å²	178	136.4 Å²	136.4	78%	0.781	72%	0.724	S	S	*	*			trans	-91.4	73.2	170.9	-93.5	-88.5	0	0	0	110.6	C620 L624	C620-F622 HydrophobicContact CB-CE2 4.48Å; C620-F622 PolarHBondContact O-N 3.22Å; F622-L624 HydrophobicContact CE1-CD1 4.42Å
623	A	21.4	Very low	26.1	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	75%	0.751	S	S	*	*			trans	-84.9	137.2	144.2	0	0	0	0	0	107.2	S621	S621-A623 PolarHBondContact O-N 3.3Å
624	L	28.2	Very low	26	Very low	147 Å²	147	142.7 Å²	142.7	77%	0.77	75%	0.747	S	S	*	*			trans	-146.6	125.8	167.6	-122.6	168.6	0	0	0	107.2	F622	F622-L624 HydrophobicContact CE1-CD1 4.42Å
625	E	27.5	Very low	26.4	Very low	183 Å²	183	146.9 Å²	146.9	86%	0.855	75%	0.754	S	S	*	*			trans	-72.2	170.9	-164.9	-68.3	159.5	120.7	0	0	112.8
626	Q	24.6	Very low	26.4	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.813	74%	0.743	S	S	*	*			trans	-78.4	-168.6	177.2	-66.3	-179.1	-120	0	0	111.2
627	D	29.1	Very low	26.7	Very low	143 Å²	143	141.8 Å²	141.8	77%	0.765	73%	0.732	S	S	*	*			trans	74.8	115.9	159.1	-55	-20.1	0	0	0	119.5
628	K	25	Very low	27	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	74%	0.735	S	S	*	*			trans	-116.5	136.2	137.4	-66.4	174.8	-179.4	172.2	0	105.5
629	P	29.5	Very low	26.9	Very low	127 Å²	127	139.2 Å²	139.2	83%	0.825	74%	0.737	S	S	*	*				-127.1	-177.4	103.4	36	-30.1	0	0	0	113.9
630	R	24.6	Very low	27.2	Very low	228 Å²	228	139 Å²	139	86%	0.86	74%	0.736	S	S	*	*			trans	-81.3	151	-165.2	-62.3	160	166.3	152.1	-8.5	112.8
631	L	25.3	Very low	27.3	Very low	124 Å²	124	139.5 Å²	139.5	65%	0.649	74%	0.74	S	S	*	*			trans	52.5	117.7	140.1	-69.4	163.8	0	0	0	118.9	V913	L631-V913 HydrophobicContact CD1-CG2 4.38Å
632	A	26	Very low	27.6	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	74%	0.736	S	S	*	*				-177.5	75.9	115.5	0	0	0	0	0	114.4
633	I	30.7	Very low	28	Very low	169 Å²	169	137.8 Å²	137.8	87%	0.867	73%	0.725	S	S	*	*			trans	-135.7	122.7	150.9	-58.5	-177.5	0	0	0	108
634	L	27.2	Very low	28.5	Very low	80 Å²	80	140.9 Å²	140.9	42%	0.419	72%	0.722	S	S	.	*			trans	-156.1	81	176.7	-158.6	166.4	0	0	0	111	H912	L634-H912 HydrophobicContact CD1-CB 4.1Å
635	K	31.2	Very low	28.4	Very low	176 Å²	176	143.4 Å²	143.4	77%	0.765	73%	0.727	S	S	*	*			trans	-164.4	144.2	165.1	-93.1	176.6	-177.5	178.1	0	106.6
636	S	27.1	Very low	28.4	Very low	42 Å²	42	138 Å²	138	29%	0.294	72%	0.72	S	S	.	*			cis	-179	130.5	-29	38.7	0	0	0	0	108	H908	S636-H908 WeakPolarHBondContact CB-O 3.36Å; S636-H908 PolarHBondContact OG-N 2.8Å; S636-H908 VanDerWaalsContact OG-N 3.09Å
637	K	29.1	Very low	28.4	Very low	129 Å²	129	136 Å²	136	56%	0.561	72%	0.72	S	S	*	*			trans	57.5	121.6	178.6	-61.3	178.1	-177.2	154.4	0	116.1	D906 G907	K637-D906 WeakPolarHBondContact CB-O 3.37Å; K637-D906 HydrophobicContact CD-CB 4.47Å; K637-D906 WeakPolarHBondContact CD-O 3.38Å; K637-G907 WeakPolarHBondContact CD-O 3.22Å; K637-G907 WeakPolarHBondContact CE-O 3.43Å; K637-G907 PolarHBondContact NZ-O 3.23Å
638	I	31	Very low	28.3	Very low	166 Å²	166	135.7 Å²	135.7	85%	0.851	72%	0.723	S	S	*	*				-119.1	142.7	96.9	-66.5	-177.5	0	0	0	105.5
639	A	26.7	Very low	28.4	Very low	88 Å²	88	130 Å²	130	73%	0.727	72%	0.722	S	S	*	*			trans	-142.4	84.8	178.6	0	0	0	0	0	109.9
640	E	30.4	Very low	28.1	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.794	72%	0.721	S	S	*	*			trans	-109.3	117.2	156.8	-63.8	-172.2	150.4	0	0	105.3
641	S	32.2	Very low	28.4	Very low	101 Å²	101	123.7 Å²	123.7	71%	0.706	72%	0.716	S	S	*	*				63.3	117.8	60.7	84.4	0	0	0	0	111.1
642	E	27.7	Very low	28.6	Very low	155 Å²	155	126.7 Å²	126.7	72%	0.724	73%	0.726	S	S	*	*			cis	-164.1	172.1	4.4	-153.4	-171.5	-131.7	0	0	110.7
643	N	33	Very low	29	Very low	102 Å²	102	133.9 Å²	133.9	55%	0.545	73%	0.732	S	S	.	*			trans	75	141.3	162.5	-59.8	-56.4	0	0	0	118.6
644	K	32.7	Very low	29	Very low	155 Å²	155	134.9 Å²	134.9	67%	0.674	73%	0.73	S	S	*	*			cis	-165.7	135.7	-18.9	-122.7	172.4	-173.5	112.8	0	109.6
645	F	27	Very low	29.3	Very low	201 Å²	201	135.6 Å²	135.6	88%	0.882	74%	0.742	S	S	*	*			trans	57.6	151.4	167.5	-62.5	-77.2	0	0	0	118.6
646	G	27.1	Very low	29.3	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	73%	0.732	S	S	*	*			cis	-163	178.6	1	0	0	0	0	0	113.4
647	T	24.7	Very low	29.6	Very low	131 Å²	131	139.9 Å²	139.9	80%	0.804	76%	0.759	S	S	*	*			trans	-71	145.4	179.2	47.7	0	0	0	0	111.3
648	T	25.8	Very low	29.6	Very low	138 Å²	138	138.2 Å²	138.2	85%	0.847	76%	0.763	S	S	*	*				176.5	174.9	79.8	38.9	0	0	0	0	110.1
649	G	27.5	Very low	29.8	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	75%	0.75	S	S	*	*			trans	117.9	141.6	146.8	0	0	0	0	0	115.7
650	S	24.2	Very low	30	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	75%	0.753	S	S	*	*			trans	-128.8	151	179.1	73.1	0	0	0	0	111.2
651	S	29	Very low	30.2	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	75%	0.751	S	S	*	*			trans	-159.9	140.8	147	57.7	0	0	0	0	111.6
652	Q	29.6	Very low	30.4	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	74%	0.739	S	S	*	*			trans	-94.4	126.2	169.3	-62.5	177.9	0.8	0	0	109.4
653	R	35.6	Very low	30.7	Very low	250 Å²	250	135.1 Å²	135.1	94%	0.943	72%	0.722	S	S	*	*			trans	-129.5	139.7	155.3	-80.1	-169.3	167.7	-176.6	-3.1	110.9
654	K	30.9	Very low	30.9	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	72%	0.72	S	S	*	*			trans	-81.2	140.9	-162	-61.9	171.5	-178.5	173.4	0	111.7	S656	K654-S656 PolarHBondContact O-N 2.91Å
655	S	33	Very low	30.9	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	71%	0.713	S	S	*	*			trans	-75.2	48.1	-179.7	49.7	0	0	0	0	114.4	R657 C658	S655-R657 VanDerWaalsContact C-N 3.29Å; S655-R657 PolarHBondContact O-N 2.9Å; S655-C658 PolarHBondContact O-N 2.87Å
656	S	30.9	Very low	31.5	Very low	81 Å²	81	125 Å²	125	57%	0.566	69%	0.687	S	S	*	*	H	α-helix	trans	-62.6	-26.4	-173.5	58.9	0	0	0	0	114.9	K654	K654-S656 PolarHBondContact O-N 2.91Å
657	R	32.7	Very low	32.2	Very low	227 Å²	227	127.7 Å²	127.7	86%	0.857	68%	0.679	S	S	*	*	H	α-helix	trans	-73.5	-31.3	-178.6	-81	-174.3	171.2	-178.1	-2.7	114.3	S655	S655-R657 VanDerWaalsContact C-N 3.29Å; S655-R657 PolarHBondContact O-N 2.9Å
658	C	30.5	Very low	32.8	Very low	93 Å²	93	127 Å²	127	63%	0.628	67%	0.668	S	S	*	*	H	α-helix	trans	-70.9	-39.1	179.9	-73.7	0	0	0	0	112.7	S655 R660 K661 T662	S655-C658 PolarHBondContact O-N 2.87Å; C658-R660 PolarHBondContact O-N 2.88Å; C658-K661 PolarHBondContact O-N 3.13Å; C658-K661 VanDerWaalsContact O-N 3.11Å; C658-T662 PolarHBondContact O-N 3.3Å; C658-T662 PolarHBondContact O-OG1 2.95Å
659	I	35	Very low	33.4	Very low	114 Å²	114	127.3 Å²	127.3	59%	0.585	66%	0.655	S	S	*	*	H	α-helix	trans	-59.5	-31.3	-179.2	-59.7	174.3	0	0	0	111.5	T662 A663	I659-T662 PolarHBondContact O-OG1 3.04Å; I659-T662 VanDerWaalsContact O-OG1 3.09Å; I659-A663 WeakPolarHBondContact O-CB 3.24Å; I659-A663 PolarHBondContact O-N 3.2Å
660	R	31.6	Very low	34.3	Very low	210 Å²	210	123.9 Å²	123.9	79%	0.792	62%	0.617	S	S	*	*	H	α-helix	trans	-70.2	-36	176.9	-77.9	-172.5	170.7	-174.8	-2.5	113.7	C658 S664	C658-R660 PolarHBondContact O-N 2.88Å; R660-S664 PolarHBondContact O-N 3.03Å; R660-S664 VanDerWaalsContact O-N 3.07Å
661	K	34.1	Very low	35	Very low	174 Å²	174	123 Å²	123	76%	0.757	60%	0.603	S	S	*	*	H	α-helix	trans	-74.2	-39.5	177.8	-81.1	-166.1	173.9	-174.4	0	112.1	C658 S664 L665	C658-K661 PolarHBondContact O-N 3.13Å; C658-K661 VanDerWaalsContact O-N 3.11Å; K661-S664 PolarHBondContact O-N 3.39Å; K661-L665 PolarHBondContact O-N 2.91Å
662	T	36.2	Very low	35.7	Very low	74 Å²	74	120.8 Å²	120.8	45%	0.454	58%	0.582	S	S	.	*	H	α-helix	trans	-64.3	-43.2	171.5	49.9	0	0	0	0	111.3	C658 I659 S664 L665 Q666	C658-T662 PolarHBondContact O-N 3.3Å; C658-T662 PolarHBondContact O-OG1 2.95Å; I659-T662 PolarHBondContact O-OG1 3.04Å; I659-T662 VanDerWaalsContact O-OG1 3.09Å; T662-S664 VanDerWaalsContact C-N 3.28Å; T662-S664 PolarHBondContact O-N 2.72Å; T662-L665 PolarHBondContact O-N 2.93Å; T662-Q666 WeakPolarHBondContact O-CB 3.5Å; T662-Q666 VanDerWaalsContact O-CG 3.23Å; T662-Q666 WeakPolarHBondContact O-CG 3.33Å; T662-Q666 PolarHBondContact O-N 2.97Å
663	A	33.3	Very low	36.7	Very low	44 Å²	44	112.8 Å²	112.8	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-32.3	175.9	0	0	0	0	0	113.6	I659 K667	I659-A663 WeakPolarHBondContact O-CB 3.24Å; I659-A663 PolarHBondContact O-N 3.2Å; A663-K667 WeakPolarHBondContact O-CB 3.15Å; A663-K667 PolarHBondContact O-N 3.2Å
664	S	37.9	Very low	37.3	Very low	72 Å²	72	103.6 Å²	103.6	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-54.1	174.7	-173	0	0	0	0	111.8	R660 K661 T662 Q666 K667 M668	R660-S664 PolarHBondContact O-N 3.03Å; R660-S664 VanDerWaalsContact O-N 3.07Å; K661-S664 PolarHBondContact O-N 3.39Å; T662-S664 VanDerWaalsContact C-N 3.28Å; T662-S664 PolarHBondContact O-N 2.72Å; S664-Q666 VanDerWaalsContact C-N 3.32Å; S664-Q666 PolarHBondContact O-N 3.42Å; S664-K667 PolarHBondContact O-N 3.26Å; S664-K667 VanDerWaalsContact O-N 3.13Å; S664-M668 PolarHBondContact O-N 2.79Å
665	L	32.5	Very low	38	Very low	101 Å²	101	95.4 Å²	95.4	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-58.8	-43.5	175.3	-86.6	161.6	0	0	0	111.6	K661 T662 K667 M668 Y669	K661-L665 PolarHBondContact O-N 2.91Å; T662-L665 PolarHBondContact O-N 2.93Å; L665-K667 PolarHBondContact O-N 3.18Å; L665-M668 PolarHBondContact O-N 3.38Å; L665-Y669 HydrophobicContact CD2-CE2 4.42Å; L665-Y669 WeakPolarHBondContact O-CD2 3.31Å; L665-Y669 PolarHBondContact O-N 3.1Å
666	Q	38.7	Very low	38.7	Very low	71 Å²	71	92 Å²	92	33%	0.332	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-37	175.8	-78.2	174.9	-25.3	0	0	112.9	T662 S664 F670 L706	T662-Q666 WeakPolarHBondContact O-CB 3.5Å; T662-Q666 VanDerWaalsContact O-CG 3.23Å; T662-Q666 WeakPolarHBondContact O-CG 3.33Å; T662-Q666 PolarHBondContact O-N 2.97Å; S664-Q666 VanDerWaalsContact C-N 3.32Å; S664-Q666 PolarHBondContact O-N 3.42Å; Q666-F670 WeakPolarHBondContact O-CB 3.37Å; Q666-F670 PolarHBondContact O-N 3.08Å; Q666-L706 HydrophobicContact CB-CD1 4.06Å; Q666-L706 HydrophobicContact CB-CD2 3.71Å; Q666-L706 HydrophobicContact CG-CD2 4.2Å
667	K	41.6	Very low	39.5	Very low	127 Å²	127	88.4 Å²	88.4	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-67.6	-39.1	172.9	-173.7	-178.5	178.7	-172.8	0	111	A663 S664 L665 F670 L671	A663-K667 WeakPolarHBondContact O-CB 3.15Å; A663-K667 PolarHBondContact O-N 3.2Å; S664-K667 PolarHBondContact O-N 3.26Å; S664-K667 VanDerWaalsContact O-N 3.13Å; L665-K667 PolarHBondContact O-N 3.18Å; K667-F670 PolarHBondContact O-N 2.93Å; K667-L671 HydrophobicContact CG-CD1 4.28Å; K667-L671 WeakPolarHBondContact O-CB 3.21Å; K667-L671 VanDerWaalsContact O-CG 3.31Å; K667-L671 WeakPolarHBondContact O-CG 3.33Å; K667-L671 PolarHBondContact O-N 3.47Å
668	M	37.7	Very low	40	Very low	115 Å²	115	80.4 Å²	80.4	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-66.7	-49.6	176.8	-159.3	-172.5	-66.3	0	0	111.4	S664 L665 F670 L671 L672	S664-M668 PolarHBondContact O-N 2.79Å; L665-M668 PolarHBondContact O-N 3.38Å; M668-F670 VanDerWaalsContact C-N 3.29Å; M668-F670 PolarHBondContact O-N 3.09Å; M668-L671 PolarHBondContact O-N 3.44Å; M668-L671 VanDerWaalsContact O-N 3.12Å; M668-L672 PolarHBondContact O-N 3.22Å
669	Y	38.2	Very low	40.7	Very low	146 Å²	146	76.5 Å²	76.5	57%	0.573	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-37.4	171.6	-87.4	-72.4	0	0	0	112.6	L665 L672 L673	L665-Y669 HydrophobicContact CD2-CE2 4.42Å; L665-Y669 WeakPolarHBondContact O-CD2 3.31Å; L665-Y669 PolarHBondContact O-N 3.1Å; Y669-L672 WeakPolarHBondContact O-CB 3.4Å; Y669-L673 VanDerWaalsContact O-CB 3.23Å; Y669-L673 WeakPolarHBondContact O-CB 3.2Å; Y669-L673 WeakPolarHBondContact O-CD1 3.48Å; Y669-L673 WeakPolarHBondContact O-CG 3.43Å; Y669-L673 PolarHBondContact O-N 3.36Å
670	F	47.2	Very low	40.9	Very low	8 Å²	8	76.4 Å²	76.4	4%	0.035	38%	0.384	C	S	.	.	H	α-helix	trans	-69.4	-33.9	175.3	176.2	-99.2	0	0	0	113.1	Q666 K667 M668 K674 F707 K710 M711	Q666-F670 WeakPolarHBondContact O-CB 3.37Å; Q666-F670 PolarHBondContact O-N 3.08Å; K667-F670 PolarHBondContact O-N 2.93Å; M668-F670 VanDerWaalsContact C-N 3.29Å; M668-F670 PolarHBondContact O-N 3.09Å; F670-K674 HydrophobicContact CD1-CD 4.19Å; F670-K674 HydrophobicContact CE1-CD 3.65Å; F670-K674 VanDerWaalsContact CE1-CE 3.45Å; F670-K674 HydrophobicContact CE1-CG 4.15Å; F670-K674 HydrophobicContact CZ-CD 4.08Å; F670-K674 HydrophobicContact CZ-CG 4.18Å; F670-K674 WeakPolarHBondContact O-CB 3.4Å; F670-K674 WeakPolarHBondContact O-CG 2.98Å; F670-K674 PolarHBondContact O-N 3.34Å; F670-F707 HydrophobicContact CD2-CB 4.42Å; F670-F707 AromaticContact CD2-CD2 3.5Å; F670-F707 HydrophobicContact CD2-CD2 3.5Å; F670-F707 VanDerWaalsContact CD2-CD2 3.5Å; F670-F707 AromaticContact CD2-CE2 3.9Å; F670-F707 HydrophobicContact CD2-CE2 3.9Å; F670-F707 HydrophobicContact CD2-CG 4.09Å; F670-F707 HydrophobicContact CE2-CB 4.37Å; F670-F707 HydrophobicContact CE2-CD1 4.28Å; F670-F707 AromaticContact CE2-CD2 3.5Å; F670-F707 HydrophobicContact CE2-CD2 3.5Å; F670-F707 VanDerWaalsContact CE2-CD2 3.5Å; F670-F707 HydrophobicContact CE2-CE1 4.41Å; F670-F707 AromaticContact CE2-CE2 3.69Å; F670-F707 HydrophobicContact CE2-CE2 3.69Å; F670-F707 AromaticContact CE2-CG 3.81Å; F670-F707 HydrophobicContact CE2-CG 3.81Å; F670-F707 HydrophobicContact CE2-CZ 4.15Å; F670-K710 HydrophobicContact CD1-CB 3.9Å; F670-K710 HydrophobicContact CD1-CG 4.2Å; F670-K710 HydrophobicContact CD2-CB 4.03Å; F670-K710 HydrophobicContact CE1-CB 3.46Å; F670-K710 VanDerWaalsContact CE1-CB 3.46Å; F670-K710 HydrophobicContact CE1-CG 4.24Å; F670-K710 HydrophobicContact CE2-CB 3.63Å; F670-K710 HydrophobicContact CG-CB 4.16Å; F670-K710 HydrophobicContact CG-CG 4.34Å; F670-K710 HydrophobicContact CZ-CB 3.32Å; F670-K710 HydrophobicContact CZ-CG 4.43Å; F670-M711 HydrophobicContact CE2-CG 4.19Å; F670-M711 HydrophobicContact CZ-CG 4.05Å; F670-M711 HydrophobicContact CZ-SD 3.96Å
671	L	39.3	Very low	41.1	Very low	96 Å²	96	69.6 Å²	69.6	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-71.4	-44.4	173.2	-74.4	167.6	0	0	0	111.6	K667 M668 K674 G675	K667-L671 HydrophobicContact CG-CD1 4.28Å; K667-L671 WeakPolarHBondContact O-CB 3.21Å; K667-L671 VanDerWaalsContact O-CG 3.31Å; K667-L671 WeakPolarHBondContact O-CG 3.33Å; K667-L671 PolarHBondContact O-N 3.47Å; M668-L671 PolarHBondContact O-N 3.44Å; M668-L671 VanDerWaalsContact O-N 3.12Å; L671-K674 HydrophobicContact CD2-CD 4.41Å; L671-K674 WeakPolarHBondContact O-CB 3.47Å; L671-K674 PolarHBondContact O-N 3.48Å; L671-G675 PolarHBondContact O-N 2.87Å
672	L	43.9	Very low	41.6	Very low	61 Å²	61	61.7 Å²	61.7	32%	0.319	34%	0.335	S	S	.	.	H	α-helix	trans	-50.1	-60.4	167.7	-108.2	133.9	0	0	0	110	M668 Y669 K674 G675 I676 L830	M668-L672 PolarHBondContact O-N 3.22Å; Y669-L672 WeakPolarHBondContact O-CB 3.4Å; L672-K674 VanDerWaalsContact C-N 3.32Å; L672-K674 PolarHBondContact O-N 3.04Å; L672-G675 CarbonylContact O-C 3.55Å; L672-G675 VanDerWaalsContact O-CA 3.3Å; L672-G675 WeakPolarHBondContact O-CA 3.47Å; L672-G675 PolarHBondContact O-N 3.15Å; L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 3.28Å; L672-L830 HydrophobicContact CD2-CD1 4.26Å; L672-L830 HydrophobicContact CD2-CD2 3.85Å; L672-L830 HydrophobicContact CG-CD2 4.25Å
673	L	49.5	Very low	41.9	Very low	20 Å²	20	61.5 Å²	61.5	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-35	-177.6	-77	158.7	0	0	0	112.9	Y669 I676 F677 L687 I691 F703	Y669-L673 VanDerWaalsContact O-CB 3.23Å; Y669-L673 WeakPolarHBondContact O-CB 3.2Å; Y669-L673 WeakPolarHBondContact O-CD1 3.48Å; Y669-L673 WeakPolarHBondContact O-CG 3.43Å; Y669-L673 PolarHBondContact O-N 3.36Å; L673-I676 HydrophobicContact CD2-CD1 4.03Å; L673-I676 PolarHBondContact O-N 2.85Å; L673-F677 HydrophobicContact CB-CD2 4.47Å; L673-F677 HydrophobicContact CB-CE2 4.27Å; L673-F677 HydrophobicContact CD2-CE2 4.44Å; L673-F677 WeakPolarHBondContact O-CB 3.48Å; L673-F677 WeakPolarHBondContact O-CD2 3.34Å; L673-F677 WeakPolarHBondContact O-CG 3.21Å; L673-F677 PolarHBondContact O-N 2.92Å; L673-L687 HydrophobicContact CD2-CD2 4.09Å; L673-I691 HydrophobicContact CD2-CD1 3.83Å; L673-I691 HydrophobicContact CD2-CG1 4.26Å; L673-F703 HydrophobicContact CD1-CE2 3.52Å; L673-F703 HydrophobicContact CD1-CZ 3.52Å
674	K	49.6	Very low	42.5	Very low	57 Å²	57	60 Å²	60	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-55.6	-49.5	167.2	-93.3	179.7	156.1	-166.1	0	111.4	F670 L671 L672 F677 L678	F670-K674 HydrophobicContact CD1-CD 4.19Å; F670-K674 HydrophobicContact CE1-CD 3.65Å; F670-K674 VanDerWaalsContact CE1-CE 3.45Å; F670-K674 HydrophobicContact CE1-CG 4.15Å; F670-K674 HydrophobicContact CZ-CD 4.08Å; F670-K674 HydrophobicContact CZ-CG 4.18Å; F670-K674 WeakPolarHBondContact O-CB 3.4Å; F670-K674 WeakPolarHBondContact O-CG 2.98Å; F670-K674 PolarHBondContact O-N 3.34Å; L671-K674 HydrophobicContact CD2-CD 4.41Å; L671-K674 WeakPolarHBondContact O-CB 3.47Å; L671-K674 PolarHBondContact O-N 3.48Å; L672-K674 VanDerWaalsContact C-N 3.32Å; L672-K674 PolarHBondContact O-N 3.04Å; K674-F677 PolarHBondContact O-N 3.04Å; K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 WeakPolarHBondContact O-CD1 3.32Å; K674-L678 VanDerWaalsContact O-CG 3.23Å; K674-L678 WeakPolarHBondContact O-CG 3.2Å; K674-L678 PolarHBondContact O-N 3.36Å
675	G	44.2	Very low	42.5	Very low	18 Å²	18	60.5 Å²	60.5	19%	0.186	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-49.7	174.9	0	0	0	0	0	112.4	L671 L672 F677 L678 S679	L671-G675 PolarHBondContact O-N 2.87Å; L672-G675 CarbonylContact O-C 3.55Å; L672-G675 VanDerWaalsContact O-CA 3.3Å; L672-G675 WeakPolarHBondContact O-CA 3.47Å; L672-G675 PolarHBondContact O-N 3.15Å; G675-F677 PolarHBondContact O-N 3.23Å; G675-L678 PolarHBondContact O-N 2.78Å; G675-L678 VanDerWaalsContact O-N 3.12Å; G675-S679 PolarHBondContact O-N 3.41Å
676	I	47.6	Very low	43	Very low	22 Å²	22	59.8 Å²	59.8	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-36.5	-180	-23.3	-178	0	0	0	112.4	L672 L673 L678 V682 L687 M834	L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 3.28Å; L673-I676 HydrophobicContact CD2-CD1 4.03Å; L673-I676 PolarHBondContact O-N 2.85Å; I676-L678 VanDerWaalsContact C-N 3.31Å; I676-L678 PolarHBondContact O-N 3.35Å; I676-V682 HydrophobicContact CG2-CB 4.1Å; I676-V682 HydrophobicContact CG2-CG1 4.02Å; I676-V682 HydrophobicContact CG2-CG2 3.72Å; I676-L687 HydrophobicContact CB-CD1 3.87Å; I676-L687 HydrophobicContact CD1-CD1 4.01Å; I676-L687 HydrophobicContact CG2-CD1 3.47Å; I676-L687 VanDerWaalsContact CG2-CD1 3.47Å; I676-M834 HydrophobicContact CB-CE 4.28Å; I676-M834 HydrophobicContact CB-SD 4.25Å; I676-M834 HydrophobicContact CD1-CE 4.49Å; I676-M834 HydrophobicContact CD1-SD 3.43Å; I676-M834 WeakPolarHBondContact CD1-SD 3.24Å; I676-M834 HydrophobicContact CG1-CE 3.89Å; I676-M834 HydrophobicContact CG1-SD 3.48Å; I676-M834 WeakPolarHBondContact CG1-SD 3.44Å; I676-M834 HydrophobicContact CG2-CE 3.93Å; I676-M834 HydrophobicContact CG2-SD 3.85Å
677	F	47.4	Very low	43.5	Very low	7 Å²	7	57.1 Å²	57.1	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-68.3	-29.8	174	-77.2	-56.8	0	0	0	113.2	L673 K674 G675 L687 I691 F707 L796 R800	L673-F677 HydrophobicContact CB-CD2 4.47Å; L673-F677 HydrophobicContact CB-CE2 4.27Å; L673-F677 HydrophobicContact CD2-CE2 4.44Å; L673-F677 WeakPolarHBondContact O-CB 3.48Å; L673-F677 WeakPolarHBondContact O-CD2 3.34Å; L673-F677 WeakPolarHBondContact O-CG 3.21Å; L673-F677 PolarHBondContact O-N 2.92Å; K674-F677 PolarHBondContact O-N 3.04Å; G675-F677 PolarHBondContact O-N 3.23Å; F677-L687 HydrophobicContact CD1-CD2 3.73Å; F677-L687 HydrophobicContact CD2-CD2 4.42Å; F677-L687 HydrophobicContact CE1-CD2 3.17Å; F677-L687 HydrophobicContact CE2-CD2 3.94Å; F677-L687 HydrophobicContact CG-CD2 4.29Å; F677-L687 HydrophobicContact CZ-CD2 3.26Å; F677-I691 HydrophobicContact CZ-CD1 4.12Å; F677-F707 AromaticContact CD2-CE2 3.94Å; F677-F707 HydrophobicContact CD2-CE2 3.94Å; F677-F707 AromaticContact CD2-CZ 3.97Å; F677-F707 HydrophobicContact CD2-CZ 3.97Å; F677-F707 AromaticContact CE2-CE2 3.71Å; F677-F707 HydrophobicContact CE2-CE2 3.71Å; F677-F707 AromaticContact CE2-CZ 3.97Å; F677-F707 HydrophobicContact CE2-CZ 3.97Å; F677-L796 HydrophobicContact CE1-CB 3.73Å; F677-L796 HydrophobicContact CE1-CD1 3.95Å; F677-L796 HydrophobicContact CE1-CD2 3.98Å; F677-L796 HydrophobicContact CE1-CG 4.05Å; F677-L796 HydrophobicContact CE2-CD2 3.86Å; F677-L796 HydrophobicContact CZ-CB 4.01Å; F677-L796 HydrophobicContact CZ-CD1 3.57Å; F677-L796 HydrophobicContact CZ-CD2 3.36Å; F677-L796 HydrophobicContact CZ-CG 3.79Å; F677-R800 WeakPolarHBondContact O-CD 3.4Å; F677-R800 VanDerWaalsContact O-CG 3.28Å; F677-R800 WeakPolarHBondContact O-CG 3.5Å; F677-R800 PolarHBondContact O-NE 2.99Å; F677-R800 VanDerWaalsContact O-NE 3.16Å
678	L	44.2	Very low	43.8	Very low	59 Å²	59	51.3 Å²	51.3	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-81.6	-35	179.9	-76.3	165.5	0	0	0	113	K674 G675 I676 A803 F807	K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 WeakPolarHBondContact O-CD1 3.32Å; K674-L678 VanDerWaalsContact O-CG 3.23Å; K674-L678 WeakPolarHBondContact O-CG 3.2Å; K674-L678 PolarHBondContact O-N 3.36Å; G675-L678 PolarHBondContact O-N 2.78Å; G675-L678 VanDerWaalsContact O-N 3.12Å; I676-L678 VanDerWaalsContact C-N 3.31Å; I676-L678 PolarHBondContact O-N 3.35Å; L678-A803 HydrophobicContact CD2-CB 3.56Å; L678-A803 HydrophobicContact CG-CB 4.24Å; L678-F807 HydrophobicContact CD1-CD2 4Å; L678-F807 HydrophobicContact CD1-CE2 3.36Å; L678-F807 HydrophobicContact CD1-CZ 3.86Å; L678-F807 HydrophobicContact CD2-CD2 3.37Å; L678-F807 HydrophobicContact CD2-CE2 3.61Å; L678-F807 HydrophobicContact CD2-CG 4.36Å; L678-F807 HydrophobicContact CG-CD2 4.34Å; L678-F807 HydrophobicContact CG-CE2 4.14Å
679	S	44.3	Very low	43.9	Very low	10 Å²	10	48.7 Å²	48.7	7%	0.07	26%	0.255	C	S	.	.			trans	-50.9	133.1	175.5	176.7	0	0	0	0	110.7	G675 C681 R800 C831	G675-S679 PolarHBondContact O-N 3.41Å; S679-C681 PolarHBondContact O-N 2.61Å; S679-C681 PolarHBondContact OG-N 2.88Å; S679-R800 PolarHBondContact O-NH2 3.48Å; S679-C831 PolarHBondContact OG-SG 2.89Å
680	P	40	Very low	44.4	Very low	112 Å²	112	45.3 Å²	45.3	73%	0.727	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.8	172.7	27	-31.7	0	0	0	111.6	V682 R800	P680-V682 PolarHBondContact O-N 2.61Å; P680-R800 PolarHBondContact O-NH2 2.99Å; P680-R800 VanDerWaalsContact O-NH2 3.09Å
681	C	35.5	Very low	44.3	Very low	68 Å²	68	45.4 Å²	45.4	46%	0.459	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.8	-164.5	-51.5	0	0	0	0	115.5	S679	S679-C681 PolarHBondContact O-N 2.61Å; S679-C681 PolarHBondContact OG-N 2.88Å
682	V	45	Very low	44.6	Very low	8 Å²	8	42.6 Å²	42.6	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-103.5	129.4	-173.8	-176.1	0	0	0	0	111.6	I676 P680 P684 L687 R800	I676-V682 HydrophobicContact CG2-CB 4.1Å; I676-V682 HydrophobicContact CG2-CG1 4.02Å; I676-V682 HydrophobicContact CG2-CG2 3.72Å; P680-V682 PolarHBondContact O-N 2.61Å; V682-P684 WeakPolarHBondContact O-CD 3.39Å; V682-L687 HydrophobicContact CG1-CB 4.32Å; V682-L687 HydrophobicContact CG1-CD1 4.03Å; V682-R800 PolarHBondContact O-NH2 3.02Å
683	D	43.3	Very low	44.6	Very low	70 Å²	70	44.2 Å²	44.2	37%	0.374	25%	0.254	S	S	.	.			trans	-70.9	120.4	170.2	-172	-19	0	0	0	109.4	R685 L686 L687	D683-R685 PolarHBondContact O-N 3.05Å; D683-R685 VanDerWaalsContact O-N 3.1Å; D683-R685 VanDerWaalsContact OD1-CB 3.32Å; D683-R685 WeakPolarHBondContact OD1-CB 3.48Å; D683-R685 WeakPolarHBondContact OD1-CG 3.34Å; D683-R685 PolarHBondContact OD1-N 3.08Å; D683-L686 HydrophobicContact CB-CB 4.47Å; D683-L686 HydrophobicContact CB-CD1 4.24Å; D683-L686 HydrophobicContact CB-CG 4.37Å; D683-L686 PolarHBondContact O-N 2.94Å; D683-L687 PolarHBondContact O-N 3.45Å; D683-L687 VanDerWaalsContact O-N 3.08Å
684	P	44.3	Very low	44.3	Very low	11 Å²	11	48 Å²	48	7%	0.071	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-16.5	175.5	25.7	-35.6	0	0	0	113.8	V682 V688 L797	V682-P684 WeakPolarHBondContact O-CD 3.39Å; P684-V688 WeakPolarHBondContact O-CB 3.31Å; P684-V688 WeakPolarHBondContact O-CG2 3.41Å; P684-V688 PolarHBondContact O-N 2.91Å; P684-L797 HydrophobicContact CB-CD2 4.15Å; P684-L797 HydrophobicContact CG-CD2 3.57Å
685	R	37.8	Very low	44	Very low	84 Å²	84	47.9 Å²	47.9	32%	0.317	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-56.2	170.5	-64.7	174.9	175.1	-156.6	-0.3	111.3	D683 L687 V688 D689 L793	D683-R685 PolarHBondContact O-N 3.05Å; D683-R685 VanDerWaalsContact O-N 3.1Å; D683-R685 VanDerWaalsContact OD1-CB 3.32Å; D683-R685 WeakPolarHBondContact OD1-CB 3.48Å; D683-R685 WeakPolarHBondContact OD1-CG 3.34Å; D683-R685 PolarHBondContact OD1-N 3.08Å; R685-L687 PolarHBondContact O-N 3.48Å; R685-V688 WeakPolarHBondContact O-CA 3.23Å; R685-V688 WeakPolarHBondContact O-CB 3.18Å; R685-V688 PolarHBondContact O-N 3.09Å; R685-D689 PolarHBondContact O-N 3.38Å; R685-L793 HydrophobicContact CG-CD1 4.19Å
686	L	44.5	Very low	44.1	Very low	85 Å²	85	50 Å²	50	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-56.7	-40.7	176.1	-69.3	170.8	0	0	0	110.2	D683 D689 T690 V838	D683-L686 HydrophobicContact CB-CB 4.47Å; D683-L686 HydrophobicContact CB-CD1 4.24Å; D683-L686 HydrophobicContact CB-CG 4.37Å; D683-L686 PolarHBondContact O-N 2.94Å; L686-D689 PolarHBondContact O-N 3.27Å; L686-T690 WeakPolarHBondContact O-CB 3.44Å; L686-T690 PolarHBondContact O-N 2.95Å; L686-T690 PolarHBondContact O-OG1 3.36Å; L686-V838 HydrophobicContact CB-CG1 4.44Å; L686-V838 HydrophobicContact CD1-CG1 3.67Å
687	L	47.5	Very low	44	Very low	16 Å²	16	53.4 Å²	53.4	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-40.8	174.3	-156.5	95.2	0	0	0	113.4	L673 I676 F677 V682 D683 R685 I691	L673-L687 HydrophobicContact CD2-CD2 4.09Å; I676-L687 HydrophobicContact CB-CD1 3.87Å; I676-L687 HydrophobicContact CD1-CD1 4.01Å; I676-L687 HydrophobicContact CG2-CD1 3.47Å; I676-L687 VanDerWaalsContact CG2-CD1 3.47Å; F677-L687 HydrophobicContact CD1-CD2 3.73Å; F677-L687 HydrophobicContact CD2-CD2 4.42Å; F677-L687 HydrophobicContact CE1-CD2 3.17Å; F677-L687 HydrophobicContact CE2-CD2 3.94Å; F677-L687 HydrophobicContact CG-CD2 4.29Å; F677-L687 HydrophobicContact CZ-CD2 3.26Å; V682-L687 HydrophobicContact CG1-CB 4.32Å; V682-L687 HydrophobicContact CG1-CD1 4.03Å; D683-L687 PolarHBondContact O-N 3.45Å; D683-L687 VanDerWaalsContact O-N 3.08Å; R685-L687 PolarHBondContact O-N 3.48Å; L687-I691 HydrophobicContact CD2-CD1 3.84Å; L687-I691 HydrophobicContact CG-CD1 4.01Å; L687-I691 WeakPolarHBondContact O-CB 3.13Å; L687-I691 WeakPolarHBondContact O-CD1 3.15Å; L687-I691 WeakPolarHBondContact O-CG1 3.21Å; L687-I691 PolarHBondContact O-N 3.43Å
688	V	48.1	Very low	43.8	Very low	4 Å²	4	60.1 Å²	60.1	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-45.9	174	166.7	0	0	0	0	110.5	P684 R685 I691 V692 L793 L796	P684-V688 WeakPolarHBondContact O-CB 3.31Å; P684-V688 WeakPolarHBondContact O-CG2 3.41Å; P684-V688 PolarHBondContact O-N 2.91Å; R685-V688 WeakPolarHBondContact O-CA 3.23Å; R685-V688 WeakPolarHBondContact O-CB 3.18Å; R685-V688 PolarHBondContact O-N 3.09Å; V688-I691 PolarHBondContact O-N 2.93Å; V688-V692 HydrophobicContact CG1-CG2 4.17Å; V688-V692 VanDerWaalsContact O-CB 3.27Å; V688-V692 WeakPolarHBondContact O-CB 3.25Å; V688-V692 WeakPolarHBondContact O-CG2 3.36Å; V688-V692 PolarHBondContact O-N 3.41Å; V688-L793 HydrophobicContact CG1-CB 4.48Å; V688-L793 HydrophobicContact CG2-CB 4.09Å; V688-L793 HydrophobicContact CG2-CD1 3.9Å; V688-L796 HydrophobicContact CG2-CB 4.38Å; V688-L796 HydrophobicContact CG2-CD1 3.6Å
689	D	41	Very low	44.1	Very low	60 Å²	60	61.5 Å²	61.5	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-73	-33.5	-177.6	-76.1	-52.6	0	0	0	112.6	R685 L686 V692 S693 K789	R685-D689 PolarHBondContact O-N 3.38Å; L686-D689 PolarHBondContact O-N 3.27Å; D689-V692 PolarHBondContact O-N 3.44Å; D689-S693 VanDerWaalsContact O-CB 3.27Å; D689-S693 WeakPolarHBondContact O-CB 3.36Å; D689-S693 PolarHBondContact O-N 3.28Å; D689-S693 PolarHBondContact O-OG 2.71Å; D689-K789 VanDerWaalsContact OD1-CE 3.25Å; D689-K789 WeakPolarHBondContact OD1-CE 3.32Å; D689-K789 IonicContact OD1-NZ 2.64Å; D689-K789 PolarHBondContact OD1-NZ 3.39Å
690	T	47.7	Very low	44.4	Very low	76 Å²	76	62.1 Å²	62.1	47%	0.466	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-46.7	167.3	-62.6	0	0	0	0	111.3	L686 V692 S693 T694	L686-T690 WeakPolarHBondContact O-CB 3.44Å; L686-T690 PolarHBondContact O-N 2.95Å; L686-T690 PolarHBondContact O-OG1 3.36Å; T690-V692 PolarHBondContact O-N 3.21Å; T690-S693 PolarHBondContact O-N 3.09Å; T690-S693 PolarHBondContact O-OG 3.32Å; T690-T694 HydrophobicContact CG2-CG2 4.31Å; T690-T694 WeakPolarHBondContact O-CB 3.5Å; T690-T694 VanDerWaalsContact O-CG2 3.32Å; T690-T694 WeakPolarHBondContact O-CG2 3.38Å; T690-T694 PolarHBondContact O-N 3.41Å; T690-T694 PolarHBondContact O-OG1 2.92Å
691	I	46.4	Very low	45	Very low	10 Å²	10	66.6 Å²	66.6	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.2	-69.6	164	0	0	0	110.7	L673 F677 L687 V688 L695 L700 F703 M792 L796	L673-I691 HydrophobicContact CD2-CD1 3.83Å; L673-I691 HydrophobicContact CD2-CG1 4.26Å; F677-I691 HydrophobicContact CZ-CD1 4.12Å; L687-I691 HydrophobicContact CD2-CD1 3.84Å; L687-I691 HydrophobicContact CG-CD1 4.01Å; L687-I691 WeakPolarHBondContact O-CB 3.13Å; L687-I691 WeakPolarHBondContact O-CD1 3.15Å; L687-I691 WeakPolarHBondContact O-CG1 3.21Å; L687-I691 PolarHBondContact O-N 3.43Å; V688-I691 PolarHBondContact O-N 2.93Å; I691-L695 HydrophobicContact CG2-CD1 4.09Å; I691-L695 WeakPolarHBondContact O-CB 2.99Å; I691-L695 PolarHBondContact O-N 2.93Å; I691-L695 VanDerWaalsContact O-N 3.12Å; I691-L700 HydrophobicContact CG2-CD2 3.74Å; I691-L700 WeakPolarHBondContact O-CD2 3.3Å; I691-F703 HydrophobicContact CG2-CD1 4.26Å; I691-F703 HydrophobicContact CG2-CE1 4.33Å; I691-M792 HydrophobicContact CG2-SD 4.41Å; I691-L796 HydrophobicContact CD1-CD1 4.18Å
692	V	45.3	Very low	45.5	Very low	36 Å²	36	66.2 Å²	66.2	22%	0.218	36%	0.36	C	S	.	.	H	α-helix	trans	-75.9	-22.5	-176.8	173.2	0	0	0	0	113.6	V688 D689 T690 L700 K789 M792	V688-V692 HydrophobicContact CG1-CG2 4.17Å; V688-V692 VanDerWaalsContact O-CB 3.27Å; V688-V692 WeakPolarHBondContact O-CB 3.25Å; V688-V692 WeakPolarHBondContact O-CG2 3.36Å; V688-V692 PolarHBondContact O-N 3.41Å; D689-V692 PolarHBondContact O-N 3.44Å; T690-V692 PolarHBondContact O-N 3.21Å; V692-L700 HydrophobicContact CB-CD1 4.38Å; V692-L700 HydrophobicContact CG1-CD1 4.19Å; V692-L700 HydrophobicContact CG2-CD1 4.28Å; V692-L700 HydrophobicContact CG2-CD2 4.06Å; V692-K789 HydrophobicContact CG1-CG 4.23Å; V692-M792 HydrophobicContact CG2-SD 3.54Å; V692-M792 VanDerWaalsContact CG2-SD 3.54Å
693	S	43.3	Very low	45.8	Very low	95 Å²	95	67 Å²	67	66%	0.664	36%	0.362	S	S	*	.	H	α-helix	trans	-88.3	-36	173	53.9	0	0	0	0	113.3	D689 T690	D689-S693 VanDerWaalsContact O-CB 3.27Å; D689-S693 WeakPolarHBondContact O-CB 3.36Å; D689-S693 PolarHBondContact O-N 3.28Å; D689-S693 PolarHBondContact O-OG 2.71Å; T690-S693 PolarHBondContact O-N 3.09Å; T690-S693 PolarHBondContact O-OG 3.32Å
694	T	43.9	Very low	46.3	Very low	101 Å²	101	65 Å²	65	62%	0.62	35%	0.354	S	S	*	.	H	α-helix	trans	-82.6	-23.8	-178.6	56.4	0	0	0	0	114.3	T690	T690-T694 HydrophobicContact CG2-CG2 4.31Å; T690-T694 WeakPolarHBondContact O-CB 3.5Å; T690-T694 VanDerWaalsContact O-CG2 3.32Å; T690-T694 WeakPolarHBondContact O-CG2 3.38Å; T690-T694 PolarHBondContact O-N 3.41Å; T690-T694 PolarHBondContact O-OG1 2.92Å
695	L	42.2	Very low	46.9	Very low	53 Å²	53	70.7 Å²	70.7	28%	0.277	38%	0.378	S	S	.	.	S	Bend	trans	-105.8	128.5	178.4	-59.8	-176.1	0	0	0	111.5	I691 N699 L700 F703	I691-L695 HydrophobicContact CG2-CD1 4.09Å; I691-L695 WeakPolarHBondContact O-CB 2.99Å; I691-L695 PolarHBondContact O-N 2.93Å; I691-L695 VanDerWaalsContact O-N 3.12Å; L695-N699 HydrophobicContact CB-CB 4.02Å; L695-N699 HydrophobicContact CD2-CB 4.32Å; L695-L700 HydrophobicContact CB-CD2 3.86Å; L695-L700 HydrophobicContact CB-CG 3.8Å; L695-L700 HydrophobicContact CD1-CD2 4.23Å; L695-L700 WeakPolarHBondContact O-CD1 3.45Å; L695-L700 WeakPolarHBondContact O-CG 3.47Å; L695-F703 HydrophobicContact CD1-CB 3.89Å; L695-F703 HydrophobicContact CD1-CD1 4.42Å; L695-F703 HydrophobicContact CD1-CG 4.09Å
696	S	47.6	Very low	47.5	Very low	63 Å²	63	67.8 Å²	67.8	44%	0.441	37%	0.368	S	S	.	.			trans	-55	157.7	168.4	69.6	0	0	0	0	111.8	E698 N699 L700	S696-E698 PolarHBondContact O-N 3.37Å; S696-E698 VanDerWaalsContact O-N 3.09Å; S696-N699 CarbonylContact O-C 3.59Å; S696-N699 WeakPolarHBondContact O-CA 3.33Å; S696-N699 PolarHBondContact O-N 2.89Å; S696-N699 WeakPolarHBondContact OG-CB 3.31Å; S696-N699 PolarHBondContact OG-N 3.36Å; S696-N699 PolarHBondContact OG-ND2 2.84Å; S696-L700 PolarHBondContact O-N 3.49Å
697	S	45.1	Very low	48	Very low	94 Å²	94	64.1 Å²	64.1	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-55.9	-31.2	-176.7	59.5	0	0	0	0	114.2	R701	S697-R701 PolarHBondContact O-N 3.34Å
698	E	43.9	Very low	48.3	Very low	148 Å²	148	66.7 Å²	66.7	69%	0.692	36%	0.36	S	S	*	.	H	α-helix	trans	-77.4	-39.7	174.4	-57.7	-166.1	132.9	0	0	112.5	S696 L700 R701 S702	S696-E698 PolarHBondContact O-N 3.37Å; S696-E698 VanDerWaalsContact O-N 3.09Å; E698-L700 VanDerWaalsContact C-N 3.3Å; E698-L700 PolarHBondContact O-N 2.82Å; E698-R701 PolarHBondContact O-N 2.81Å; E698-S702 WeakPolarHBondContact O-CB 3.31Å; E698-S702 PolarHBondContact O-N 3.19Å; E698-S702 PolarHBondContact O-OG 3.46Å
699	N	49.5	Very low	48.5	Very low	87 Å²	87	70.1 Å²	70.1	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-32	172.7	-76.4	-24.4	0	0	0	111.7	L695 S696 S702 F703	L695-N699 HydrophobicContact CB-CB 4.02Å; L695-N699 HydrophobicContact CD2-CB 4.32Å; S696-N699 CarbonylContact O-C 3.59Å; S696-N699 WeakPolarHBondContact O-CA 3.33Å; S696-N699 PolarHBondContact O-N 2.89Å; S696-N699 WeakPolarHBondContact OG-CB 3.31Å; S696-N699 PolarHBondContact OG-N 3.36Å; S696-N699 PolarHBondContact OG-ND2 2.84Å; N699-S702 PolarHBondContact O-N 3.39Å; N699-F703 WeakPolarHBondContact O-CB 3.44Å; N699-F703 PolarHBondContact O-N 2.88Å
700	L	50.1	Low	48.8	Very low	23 Å²	23	69.4 Å²	69.4	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-66.3	-39.7	172	-76	170.1	0	0	0	113.1	I691 V692 L695 S696 E698 S704 M792	I691-L700 HydrophobicContact CG2-CD2 3.74Å; I691-L700 WeakPolarHBondContact O-CD2 3.3Å; V692-L700 HydrophobicContact CB-CD1 4.38Å; V692-L700 HydrophobicContact CG1-CD1 4.19Å; V692-L700 HydrophobicContact CG2-CD1 4.28Å; V692-L700 HydrophobicContact CG2-CD2 4.06Å; L695-L700 HydrophobicContact CB-CD2 3.86Å; L695-L700 HydrophobicContact CB-CG 3.8Å; L695-L700 HydrophobicContact CD1-CD2 4.23Å; L695-L700 WeakPolarHBondContact O-CD1 3.45Å; L695-L700 WeakPolarHBondContact O-CG 3.47Å; S696-L700 PolarHBondContact O-N 3.49Å; E698-L700 VanDerWaalsContact C-N 3.3Å; E698-L700 PolarHBondContact O-N 2.82Å; L700-S704 WeakPolarHBondContact O-CB 3.5Å; L700-S704 PolarHBondContact O-N 3.39Å; L700-M792 HydrophobicContact CB-CE 4.3Å; L700-M792 HydrophobicContact CD2-CE 3.96Å; L700-M792 HydrophobicContact CD2-SD 4.02Å
701	R	52.2	Low	48.8	Very low	207 Å²	207	67 Å²	67	78%	0.781	35%	0.354	S	S	*	.	H	α-helix	trans	-65.7	-46.6	172	-79.3	-176.6	170.6	-172.5	-0.6	110.9	S697 E698 S704 K705	S697-R701 PolarHBondContact O-N 3.34Å; E698-R701 PolarHBondContact O-N 2.81Å; R701-S704 PolarHBondContact O-N 3.31Å; R701-K705 WeakPolarHBondContact O-CB 3.47Å; R701-K705 PolarHBondContact O-N 3.27Å
702	S	47.2	Very low	49	Very low	59 Å²	59	72.1 Å²	72.1	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-44.8	179.8	-58.1	0	0	0	0	111.6	E698 N699 K705 L706	E698-S702 WeakPolarHBondContact O-CB 3.31Å; E698-S702 PolarHBondContact O-N 3.19Å; E698-S702 PolarHBondContact O-OG 3.46Å; N699-S702 PolarHBondContact O-N 3.39Å; S702-K705 PolarHBondContact O-N 3.11Å; S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.48Å; S702-L706 PolarHBondContact O-N 2.97Å
703	F	51.8	Low	49.1	Very low	25 Å²	25	75.2 Å²	75.2	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-46.6	174	177	-102.7	0	0	0	111.8	L673 I691 L695 N699 K705 L706 F707	L673-F703 HydrophobicContact CD1-CE2 3.52Å; L673-F703 HydrophobicContact CD1-CZ 3.52Å; I691-F703 HydrophobicContact CG2-CD1 4.26Å; I691-F703 HydrophobicContact CG2-CE1 4.33Å; L695-F703 HydrophobicContact CD1-CB 3.89Å; L695-F703 HydrophobicContact CD1-CD1 4.42Å; L695-F703 HydrophobicContact CD1-CG 4.09Å; N699-F703 WeakPolarHBondContact O-CB 3.44Å; N699-F703 PolarHBondContact O-N 2.88Å; F703-K705 PolarHBondContact O-N 3.16Å; F703-L706 PolarHBondContact O-N 3.35Å; F703-F707 HydrophobicContact CE1-CB 4.4Å; F703-F707 HydrophobicContact CE1-CD2 4.16Å; F703-F707 HydrophobicContact CE2-CB 4.46Å; F703-F707 HydrophobicContact CE2-CD2 4.09Å; F703-F707 HydrophobicContact CZ-CB 4.22Å; F703-F707 AromaticContact CZ-CD2 3.49Å; F703-F707 HydrophobicContact CZ-CD2 3.49Å; F703-F707 VanDerWaalsContact CZ-CD2 3.49Å; F703-F707 HydrophobicContact CZ-CE2 4.3Å; F703-F707 HydrophobicContact CZ-CG 4.21Å; F703-F707 WeakPolarHBondContact O-CB 3.25Å; F703-F707 PolarHBondContact O-N 3.24Å
704	S	53.2	Low	48.8	Very low	27 Å²	27	72.5 Å²	72.5	19%	0.189	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-31	176.6	178.7	0	0	0	0	112.6	L700 R701 E708 K795	L700-S704 WeakPolarHBondContact O-CB 3.5Å; L700-S704 PolarHBondContact O-N 3.39Å; R701-S704 PolarHBondContact O-N 3.31Å; S704-E708 VanDerWaalsContact O-CB 3.24Å; S704-E708 WeakPolarHBondContact O-CB 3.43Å; S704-E708 PolarHBondContact O-N 3.34Å; S704-K795 PolarHBondContact OG-NZ 3.07Å
705	K	56.3	Low	48.6	Very low	132 Å²	132	76 Å²	76	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-73.6	-51.8	176.8	-174.4	170.5	-177.3	-73.2	0	110.5	R701 S702 F703 F707 E708 E709	R701-K705 WeakPolarHBondContact O-CB 3.47Å; R701-K705 PolarHBondContact O-N 3.27Å; S702-K705 PolarHBondContact O-N 3.11Å; F703-K705 PolarHBondContact O-N 3.16Å; K705-F707 PolarHBondContact O-N 3.18Å; K705-E708 PolarHBondContact O-N 3.27Å; K705-E708 VanDerWaalsContact O-N 3.13Å; K705-E709 WeakPolarHBondContact CE-OE1 3.19Å; K705-E709 IonicContact NZ-OE1 2.61Å; K705-E709 PolarHBondContact NZ-OE1 2.87Å; K705-E709 WeakPolarHBondContact O-CB 3.31Å; K705-E709 VanDerWaalsContact O-CG 3.31Å; K705-E709 WeakPolarHBondContact O-CG 3.38Å; K705-E709 PolarHBondContact O-N 2.85Å
706	L	51.3	Low	48.3	Very low	23 Å²	23	77 Å²	77	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-58.8	-42.8	175.9	179.8	107.1	0	0	0	112.3	Q666 S702 F703 E708 E709 K710	Q666-L706 HydrophobicContact CB-CD1 4.06Å; Q666-L706 HydrophobicContact CB-CD2 3.71Å; Q666-L706 HydrophobicContact CG-CD2 4.2Å; S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.48Å; S702-L706 PolarHBondContact O-N 2.97Å; F703-L706 PolarHBondContact O-N 3.35Å; L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 3.36Å; L706-E709 PolarHBondContact O-N 3.19Å; L706-K710 HydrophobicContact CG-CG 4.34Å; L706-K710 WeakPolarHBondContact O-CB 3.36Å; L706-K710 WeakPolarHBondContact O-CG 3.38Å; L706-K710 PolarHBondContact O-N 2.85Å
707	F	54.2	Low	47.6	Very low	7 Å²	7	78.4 Å²	78.4	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-39	177.2	-169.6	-75.7	0	0	0	111.1	F670 F677 F703 K705 M711 Y799	F670-F707 HydrophobicContact CD2-CB 4.42Å; F670-F707 AromaticContact CD2-CD2 3.5Å; F670-F707 HydrophobicContact CD2-CD2 3.5Å; F670-F707 VanDerWaalsContact CD2-CD2 3.5Å; F670-F707 AromaticContact CD2-CE2 3.9Å; F670-F707 HydrophobicContact CD2-CE2 3.9Å; F670-F707 HydrophobicContact CD2-CG 4.09Å; F670-F707 HydrophobicContact CE2-CB 4.37Å; F670-F707 HydrophobicContact CE2-CD1 4.28Å; F670-F707 AromaticContact CE2-CD2 3.5Å; F670-F707 HydrophobicContact CE2-CD2 3.5Å; F670-F707 VanDerWaalsContact CE2-CD2 3.5Å; F670-F707 HydrophobicContact CE2-CE1 4.41Å; F670-F707 AromaticContact CE2-CE2 3.69Å; F670-F707 HydrophobicContact CE2-CE2 3.69Å; F670-F707 AromaticContact CE2-CG 3.81Å; F670-F707 HydrophobicContact CE2-CG 3.81Å; F670-F707 HydrophobicContact CE2-CZ 4.15Å; F677-F707 AromaticContact CD2-CE2 3.94Å; F677-F707 HydrophobicContact CD2-CE2 3.94Å; F677-F707 AromaticContact CD2-CZ 3.97Å; F677-F707 HydrophobicContact CD2-CZ 3.97Å; F677-F707 AromaticContact CE2-CE2 3.71Å; F677-F707 HydrophobicContact CE2-CE2 3.71Å; F677-F707 AromaticContact CE2-CZ 3.97Å; F677-F707 HydrophobicContact CE2-CZ 3.97Å; F703-F707 HydrophobicContact CE1-CB 4.4Å; F703-F707 HydrophobicContact CE1-CD2 4.16Å; F703-F707 HydrophobicContact CE2-CB 4.46Å; F703-F707 HydrophobicContact CE2-CD2 4.09Å; F703-F707 HydrophobicContact CZ-CB 4.22Å; F703-F707 AromaticContact CZ-CD2 3.49Å; F703-F707 HydrophobicContact CZ-CD2 3.49Å; F703-F707 VanDerWaalsContact CZ-CD2 3.49Å; F703-F707 HydrophobicContact CZ-CE2 4.3Å; F703-F707 HydrophobicContact CZ-CG 4.21Å; F703-F707 WeakPolarHBondContact O-CB 3.25Å; F703-F707 PolarHBondContact O-N 3.24Å; K705-F707 PolarHBondContact O-N 3.18Å; F707-M711 HydrophobicContact CD1-CG 3.93Å; F707-M711 HydrophobicContact CE1-CG 3.6Å; F707-M711 HydrophobicContact CZ-CG 4.29Å; F707-M711 VanDerWaalsContact O-CB 3.3Å; F707-M711 WeakPolarHBondContact O-CB 3.3Å; F707-M711 VanDerWaalsContact O-CG 3.25Å; F707-M711 WeakPolarHBondContact O-CG 3.38Å; F707-M711 PolarHBondContact O-N 2.93Å; F707-Y799 AromaticContact CD1-CD2 3.89Å; F707-Y799 HydrophobicContact CD1-CD2 3.89Å; F707-Y799 HydrophobicContact CD1-CE1 4.4Å; F707-Y799 AromaticContact CD1-CE2 3.72Å; F707-Y799 HydrophobicContact CD1-CE2 3.72Å; F707-Y799 HydrophobicContact CD1-CG 4.33Å; F707-Y799 AromaticContact CD1-CZ 3.99Å; F707-Y799 AromaticContact CE1-CD1 3.86Å; F707-Y799 HydrophobicContact CE1-CD1 3.86Å; F707-Y799 AromaticContact CE1-CD2 3.42Å; F707-Y799 HydrophobicContact CE1-CD2 3.42Å; F707-Y799 VanDerWaalsContact CE1-CD2 3.42Å; F707-Y799 HydrophobicContact CE1-CE1 4.14Å; F707-Y799 AromaticContact CE1-CE2 3.74Å; F707-Y799 HydrophobicContact CE1-CE2 3.74Å; F707-Y799 AromaticContact CE1-CG 3.5Å; F707-Y799 HydrophobicContact CE1-CG 3.5Å; F707-Y799 VanDerWaalsContact CE1-CG 3.5Å; F707-Y799 HydrophobicContact CZ-CD2 4.41Å; F707-Y799 HydrophobicContact CZ-CG 4.35Å
708	E	54.2	Low	46.8	Very low	70 Å²	70	75.8 Å²	75.8	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-70.7	-40	176.7	-172.3	149.5	-149	0	0	111.9	S704 K705 L706 M711 Q712 K795 Y799	S704-E708 VanDerWaalsContact O-CB 3.24Å; S704-E708 WeakPolarHBondContact O-CB 3.43Å; S704-E708 PolarHBondContact O-N 3.34Å; K705-E708 PolarHBondContact O-N 3.27Å; K705-E708 VanDerWaalsContact O-N 3.13Å; L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 3.36Å; E708-M711 CarbonylContact O-C 3.51Å; E708-M711 PolarHBondContact O-N 3.14Å; E708-Q712 WeakPolarHBondContact O-CG 3.23Å; E708-Q712 PolarHBondContact O-N 3.22Å; E708-K795 IonicContact OE2-NZ 2.61Å; E708-K795 PolarHBondContact OE2-NZ 3.13Å; E708-Y799 WeakPolarHBondContact CB-OH 3.3Å; E708-Y799 WeakPolarHBondContact CG-OH 3.43Å
709	E	51.7	Low	45.9	Very low	76 Å²	76	74.4 Å²	74.4	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-47.9	172	-73.5	167.5	166.8	0	0	111.8	K705 L706 M711 Q712 E713	K705-E709 WeakPolarHBondContact CE-OE1 3.19Å; K705-E709 IonicContact NZ-OE1 2.61Å; K705-E709 PolarHBondContact NZ-OE1 2.87Å; K705-E709 WeakPolarHBondContact O-CB 3.31Å; K705-E709 VanDerWaalsContact O-CG 3.31Å; K705-E709 WeakPolarHBondContact O-CG 3.38Å; K705-E709 PolarHBondContact O-N 2.85Å; L706-E709 PolarHBondContact O-N 3.19Å; E709-M711 VanDerWaalsContact C-N 3.31Å; E709-M711 PolarHBondContact O-N 3.01Å; E709-Q712 CarbonylContact O-C 3.07Å; E709-Q712 WeakPolarHBondContact O-CA 3.33Å; E709-Q712 WeakPolarHBondContact O-CB 3.4Å; E709-Q712 PolarHBondContact O-N 2.83Å; E709-E713 PolarHBondContact O-N 3.13Å
710	K	48.5	Very low	44.9	Very low	46 Å²	46	74.3 Å²	74.3	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-28.5	176.5	-68.1	-50.3	-170.6	-169.7	0	112.9	F670 L706 Q712 E713 V714	F670-K710 HydrophobicContact CD1-CB 3.9Å; F670-K710 HydrophobicContact CD1-CG 4.2Å; F670-K710 HydrophobicContact CD2-CB 4.03Å; F670-K710 HydrophobicContact CE1-CB 3.46Å; F670-K710 VanDerWaalsContact CE1-CB 3.46Å; F670-K710 HydrophobicContact CE1-CG 4.24Å; F670-K710 HydrophobicContact CE2-CB 3.63Å; F670-K710 HydrophobicContact CG-CB 4.16Å; F670-K710 HydrophobicContact CG-CG 4.34Å; F670-K710 HydrophobicContact CZ-CB 3.32Å; F670-K710 HydrophobicContact CZ-CG 4.43Å; L706-K710 HydrophobicContact CG-CG 4.34Å; L706-K710 WeakPolarHBondContact O-CB 3.36Å; L706-K710 WeakPolarHBondContact O-CG 3.38Å; L706-K710 PolarHBondContact O-N 2.85Å; K710-Q712 VanDerWaalsContact C-N 3.3Å; K710-E713 VanDerWaalsContact CD-CD 3.42Å; K710-E713 HydrophobicContact CD-CG 4.42Å; K710-E713 WeakPolarHBondContact CD-OE1 3.41Å; K710-E713 WeakPolarHBondContact CD-OE2 3.18Å; K710-E713 WeakPolarHBondContact CE-OE2 3.29Å; K710-E713 IonicContact NZ-OE1 3.34Å; K710-E713 PolarHBondContact NZ-OE1 2.93Å; K710-E713 IonicContact NZ-OE2 2.64Å; K710-E713 PolarHBondContact NZ-OE2 3.4Å; K710-V714 WeakPolarHBondContact O-CB 3.48Å; K710-V714 WeakPolarHBondContact O-CG2 3.28Å; K710-V714 PolarHBondContact O-N 3.5Å
711	M	46.6	Very low	43.7	Very low	26 Å²	26	81 Å²	81	13%	0.128	42%	0.422	C	S	.	.	H	α-helix	trans	-79.3	-9.7	168.5	-70.1	-61.5	-71.3	0	0	113.6	F670 F707 E708 E709 R715 Y799	F670-M711 HydrophobicContact CE2-CG 4.19Å; F670-M711 HydrophobicContact CZ-CG 4.05Å; F670-M711 HydrophobicContact CZ-SD 3.96Å; F707-M711 HydrophobicContact CD1-CG 3.93Å; F707-M711 HydrophobicContact CE1-CG 3.6Å; F707-M711 HydrophobicContact CZ-CG 4.29Å; F707-M711 VanDerWaalsContact O-CB 3.3Å; F707-M711 WeakPolarHBondContact O-CB 3.3Å; F707-M711 VanDerWaalsContact O-CG 3.25Å; F707-M711 WeakPolarHBondContact O-CG 3.38Å; F707-M711 PolarHBondContact O-N 2.93Å; E708-M711 CarbonylContact O-C 3.51Å; E708-M711 PolarHBondContact O-N 3.14Å; E709-M711 VanDerWaalsContact C-N 3.31Å; E709-M711 PolarHBondContact O-N 3.01Å; M711-R715 WeakPolarHBondContact O-CD 3.13Å; M711-R715 VanDerWaalsContact O-CG 3.3Å; M711-R715 WeakPolarHBondContact O-CG 3.42Å; M711-Y799 HydrophobicContact CB-CD1 4.28Å; M711-Y799 HydrophobicContact CB-CE1 3.75Å; M711-Y799 HydrophobicContact CE-CD1 4.01Å; M711-Y799 HydrophobicContact CG-CD1 3.96Å; M711-Y799 HydrophobicContact CG-CE1 3.85Å
712	Q	50.6	Low	42.4	Very low	117 Å²	117	74.2 Å²	74.2	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-86.9	-42.2	164.2	-73	174.5	17.8	0	0	111	E708 E709 K710 V714 R715 A716	E708-Q712 WeakPolarHBondContact O-CG 3.23Å; E708-Q712 PolarHBondContact O-N 3.22Å; E709-Q712 CarbonylContact O-C 3.07Å; E709-Q712 WeakPolarHBondContact O-CA 3.33Å; E709-Q712 WeakPolarHBondContact O-CB 3.4Å; E709-Q712 PolarHBondContact O-N 2.83Å; K710-Q712 VanDerWaalsContact C-N 3.3Å; Q712-V714 VanDerWaalsContact C-N 3.33Å; Q712-V714 PolarHBondContact O-N 2.77Å; Q712-R715 CarbonylContact O-C 3.58Å; Q712-R715 WeakPolarHBondContact O-CA 3.39Å; Q712-R715 WeakPolarHBondContact O-CB 3.48Å; Q712-R715 PolarHBondContact O-N 2.82Å; Q712-A716 PolarHBondContact O-N 3.16Å
713	E	47	Very low	41.4	Very low	100 Å²	100	79.7 Å²	79.7	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-55.4	-47.7	170.2	-75	179.1	-154.7	0	0	111	E709 K710 R715 A716 S717	E709-E713 PolarHBondContact O-N 3.13Å; K710-E713 VanDerWaalsContact CD-CD 3.42Å; K710-E713 HydrophobicContact CD-CG 4.42Å; K710-E713 WeakPolarHBondContact CD-OE1 3.41Å; K710-E713 WeakPolarHBondContact CD-OE2 3.18Å; K710-E713 WeakPolarHBondContact CE-OE2 3.29Å; K710-E713 IonicContact NZ-OE1 3.34Å; K710-E713 PolarHBondContact NZ-OE1 2.93Å; K710-E713 IonicContact NZ-OE2 2.64Å; K710-E713 PolarHBondContact NZ-OE2 3.4Å; E713-R715 PolarHBondContact O-N 2.95Å; E713-A716 CarbonylContact O-C 3.08Å; E713-A716 WeakPolarHBondContact O-CA 3.42Å; E713-A716 PolarHBondContact O-N 3.45Å; E713-S717 PolarHBondContact O-N 3.46Å; E713-S717 PolarHBondContact O-OG 2.9Å
714	V	38.6	Very low	40.1	Very low	38 Å²	38	84.2 Å²	84.2	23%	0.23	46%	0.463	C	S	.	.	H	α-helix	trans	-63.1	-22.5	175.7	171.1	0	0	0	0	112.6	K710 Q712 A718	K710-V714 WeakPolarHBondContact O-CB 3.48Å; K710-V714 WeakPolarHBondContact O-CG2 3.28Å; K710-V714 PolarHBondContact O-N 3.5Å; Q712-V714 VanDerWaalsContact C-N 3.33Å; Q712-V714 PolarHBondContact O-N 2.77Å; V714-A718 WeakPolarHBondContact O-CB 3.14Å; V714-A718 PolarHBondContact O-N 3.38Å; V714-A718 VanDerWaalsContact O-N 3.12Å
715	R	37.7	Very low	38.7	Very low	174 Å²	174	87.5 Å²	87.5	66%	0.657	49%	0.486	S	S	*	.	H	α-helix	trans	-86.5	-9	171.8	-80.2	175.3	128.1	-149.1	-9	114.1	M711 Q712 E713	M711-R715 WeakPolarHBondContact O-CD 3.13Å; M711-R715 VanDerWaalsContact O-CG 3.3Å; M711-R715 WeakPolarHBondContact O-CG 3.42Å; Q712-R715 CarbonylContact O-C 3.58Å; Q712-R715 WeakPolarHBondContact O-CA 3.39Å; Q712-R715 WeakPolarHBondContact O-CB 3.48Å; Q712-R715 PolarHBondContact O-N 2.82Å; E713-R715 PolarHBondContact O-N 2.95Å
716	A	36.6	Very low	37.2	Very low	75 Å²	75	87.2 Å²	87.2	62%	0.62	50%	0.501	S	S	*	.	H	α-helix	trans	-106.3	-25.9	176.3	0	0	0	0	0	112	Q712 E713	Q712-A716 PolarHBondContact O-N 3.16Å; E713-A716 CarbonylContact O-C 3.08Å; E713-A716 WeakPolarHBondContact O-CA 3.42Å; E713-A716 PolarHBondContact O-N 3.45Å
717	S	33.2	Very low	36	Very low	92 Å²	92	95.5 Å²	95.5	64%	0.643	54%	0.535	S	S	*	.	H	α-helix	trans	-96.6	-24.1	175.2	61.4	0	0	0	0	113.8	E713 V719	E713-S717 PolarHBondContact O-N 3.46Å; E713-S717 PolarHBondContact O-OG 2.9Å; S717-V719 PolarHBondContact O-N 3.31Å; S717-V719 VanDerWaalsContact O-N 3.17Å
718	A	27.5	Very low	34.6	Very low	40 Å²	40	106 Å²	106	33%	0.331	58%	0.575	S	S	.	*	S	Bend	trans	-67.5	106.7	146	0	0	0	0	0	105.9	V714 P720 F806	V714-A718 WeakPolarHBondContact O-CB 3.14Å; V714-A718 PolarHBondContact O-N 3.38Å; V714-A718 VanDerWaalsContact O-N 3.12Å; A718-P720 VanDerWaalsContact O-CD 3.28Å; A718-P720 WeakPolarHBondContact O-CD 3.31Å; A718-P720 VanDerWaalsContact O-N 3.07Å; A718-F806 HydrophobicContact CB-CE2 4.19Å
719	V	26.3	Very low	33.1	Very low	119 Å²	119	106.9 Å²	106.9	72%	0.721	59%	0.589	S	S	*	*			trans	-50.9	116.5	-179.8	172.1	0	0	0	0	108.4	S717 L721	S717-V719 PolarHBondContact O-N 3.31Å; S717-V719 VanDerWaalsContact O-N 3.17Å; V719-L721 PolarHBondContact O-N 3.49Å; V719-L721 VanDerWaalsContact O-N 3.16Å
720	P	27.6	Very low	31.8	Very low	84 Å²	84	114.1 Å²	114.1	55%	0.545	61%	0.614	S	S	.	*			trans	-63.5	119.8	160.5	28	-30	0	0	0	105.7	A718 A722	A718-P720 VanDerWaalsContact O-CD 3.28Å; A718-P720 WeakPolarHBondContact O-CD 3.31Å; A718-P720 VanDerWaalsContact O-N 3.07Å; P720-A722 PolarHBondContact O-N 3.49Å
721	L	26.2	Very low	30.6	Very low	165 Å²	165	115.2 Å²	115.2	86%	0.864	64%	0.639	S	S	*	*			trans	-63.7	84.7	157.9	-82.6	168.9	0	0	0	106.4	V719 L723	V719-L721 PolarHBondContact O-N 3.49Å; V719-L721 VanDerWaalsContact O-N 3.16Å; L721-L723 PolarHBondContact O-N 2.95Å
722	A	23.8	Very low	29.7	Very low	63 Å²	63	119.9 Å²	119.9	52%	0.521	67%	0.674	S	S	.	*			trans	-66.3	117.2	179	0	0	0	0	0	106.6	P720 T724	P720-A722 PolarHBondContact O-N 3.49Å; A722-T724 HydrophobicContact CB-CG2 4.07Å; A722-T724 PolarHBondContact O-N 3.05Å
723	L	25.6	Very low	28.4	Very low	175 Å²	175	124.4 Å²	124.4	92%	0.916	69%	0.686	S	S	*	*			trans	-69.7	79.3	174.1	-68.4	161.8	0	0	0	108.4	L721 S725	L721-L723 PolarHBondContact O-N 2.95Å; L723-S725 WeakPolarHBondContact O-CB 3.41Å; L723-S725 PolarHBondContact O-N 3.37Å
724	T	24.9	Very low	27.4	Very low	120 Å²	120	129 Å²	129	74%	0.736	71%	0.705	S	S	*	*			trans	-95.8	68.3	175.6	53.6	0	0	0	0	109	A722	A722-T724 HydrophobicContact CB-CG2 4.07Å; A722-T724 PolarHBondContact O-N 3.05Å
725	S	24.9	Very low	26.8	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	72%	0.72	S	S	*	*				76.8	76.8	82.1	76	0	0	0	0	113	L723	L723-S725 WeakPolarHBondContact O-CB 3.41Å; L723-S725 PolarHBondContact O-N 3.37Å
726	S	25.1	Very low	26.2	Very low	127 Å²	127	130.9 Å²	130.9	89%	0.888	72%	0.717	S	S	*	*			trans	-65.1	142.4	156	43.1	0	0	0	0	109.9
727	K	25.5	Very low	25.7	Very low	196 Å²	196	133.4 Å²	133.4	85%	0.852	72%	0.716	S	S	*	*			trans	-80.8	151.6	178.8	-56.2	147.2	-173	168.7	0	107.1
728	R	25	Very low	25.2	Very low	229 Å²	229	132.4 Å²	132.4	86%	0.864	71%	0.708	S	S	*	*				-158.7	141.6	50.2	-85.6	178.6	170.6	155.4	-2.7	112.7
729	S	22.1	Very low	25.1	Very low	88 Å²	88	137 Å²	137	62%	0.615	73%	0.728	S	S	*	*			trans	7.4	133.9	135.9	56.7	0	0	0	0	118.4
730	Y	24.1	Very low	25	Very low	227 Å²	227	134.4 Å²	134.4	89%	0.89	73%	0.725	S	S	*	*				-159.3	167.8	62.7	-107.7	-87.2	0	0	0	113.7
731	G	23.5	Very low	24.8	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	73%	0.732	S	S	*	*			trans	92.8	132.7	161.3	0	0	0	0	0	115.2	R733	G731-R733 PolarHBondContact O-N 3.2Å
732	S	28.5	Very low	25.1	Very low	124 Å²	124	130.8 Å²	130.8	87%	0.867	71%	0.712	S	S	*	*	S	Bend	trans	-91.3	25.5	-162.2	55.1	0	0	0	0	115.9
733	R	22.9	Very low	25.2	Very low	212 Å²	212	130.2 Å²	130.2	80%	0.8	70%	0.701	S	S	*	*			trans	-145.1	94.2	-171.4	-63.9	-176.5	-177.4	177.6	1	113.8	G731	G731-R733 PolarHBondContact O-N 3.2Å
734	F	24.8	Very low	25.3	Very low	197 Å²	197	124.2 Å²	124.2	86%	0.864	67%	0.668	S	S	*	*			trans	-160.2	113.8	150.9	-88	-69.2	0	0	0	108.2
735	E	27.5	Very low	25.6	Very low	117 Å²	117	122.1 Å²	122.1	55%	0.547	66%	0.658	S	S	.	*			cis	-155.6	163.1	-19.9	-137.7	172.7	158.6	0	0	111.5	Q737	E735-Q737 HydrophobicContact CB-CG 4.42Å; E735-Q737 HydrophobicContact CG-CG 4.18Å; E735-Q737 PolarHBondContact OE1-NE2 3.22Å; E735-Q737 PolarHBondContact OE2-NE2 3.22Å; E735-Q737 VanDerWaalsContact OE2-NE2 3.1Å
736	K	24.1	Very low	26	Very low	134 Å²	134	119.7 Å²	119.7	58%	0.583	64%	0.643	S	S	*	*			trans	-96.8	95.8	150.9	-75.9	-177.6	-173.8	176.9	0	106.9	P4 S738	P4-K736 HydrophobicContact CG-CD 3.97Å; P4-K736 HydrophobicContact CG-CG 4.38Å; K736-S738 PolarHBondContact O-OG 3.47Å
737	Q	27.6	Very low	26	Very low	128 Å²	128	116.3 Å²	116.3	60%	0.598	62%	0.618	S	S	*	*			trans	-124.8	125.8	157.9	-74	-170.9	7.5	0	0	104.9	E735	E735-Q737 HydrophobicContact CB-CG 4.42Å; E735-Q737 HydrophobicContact CG-CG 4.18Å; E735-Q737 PolarHBondContact OE1-NE2 3.22Å; E735-Q737 PolarHBondContact OE2-NE2 3.22Å; E735-Q737 VanDerWaalsContact OE2-NE2 3.1Å
738	S	22.2	Very low	26.2	Very low	70 Å²	70	111.7 Å²	111.7	49%	0.49	60%	0.603	S	S	.	*			cis	50.4	109.5	19.8	59.9	0	0	0	0	113.6	K736	K736-S738 PolarHBondContact O-OG 3.47Å
739	D	26	Very low	26.5	Very low	138 Å²	138	101.8 Å²	101.8	74%	0.738	57%	0.57	S	S	*	*			trans	71.7	70.5	162.1	-41.3	-40.3	0	0	0	113.2
740	G	24	Very low	26.8	Very low	64 Å²	64	103.3 Å²	103.3	66%	0.66	57%	0.567	S	S	*	*			trans	-158.6	29.8	179	0	0	0	0	0	112.4	P742	G740-P742 VanDerWaalsContact O-CD 3.3Å; G740-P742 WeakPolarHBondContact O-CD 3.35Å
741	C	23.2	Very low	27.2	Very low	102 Å²	102	94.8 Å²	94.8	69%	0.689	54%	0.544	S	S	*	.			trans	-78.9	120.7	163	-74.6	0	0	0	0	108.1
742	P	31.2	Very low	27.3	Very low	70 Å²	70	99.2 Å²	99.2	46%	0.455	54%	0.543	S	S	.	.				-121.8	90	123.8	34.4	-29	0	0	0	107.5	V12 L13 K59 G740	V12-P742 WeakPolarHBondContact O-CA 3.42Å; L13-P742 HydrophobicContact CB-CB 4.15Å; L13-P742 HydrophobicContact CD2-CB 3.62Å; L13-P742 HydrophobicContact CD2-CG 4.35Å; L13-P742 HydrophobicContact CG-CB 3.68Å; K59-P742 PolarHBondContact NZ-O 2.91Å; G740-P742 VanDerWaalsContact O-CD 3.3Å; G740-P742 WeakPolarHBondContact O-CD 3.35Å
743	N	27	Very low	27.3	Very low	51 Å²	51	100 Å²	100	27%	0.273	54%	0.537	S	S	.	.				62.9	164.7	86.3	-144	46.2	0	0	0	113.9	E11 V12 L13 K59	E11-N743 VanDerWaalsContact CB-ND2 3.32Å; E11-N743 WeakPolarHBondContact CB-ND2 3.32Å; E11-N743 VanDerWaalsContact CG-ND2 3.31Å; E11-N743 WeakPolarHBondContact CG-ND2 3.4Å; V12-N743 VanDerWaalsContact C-CB 3.48Å; V12-N743 WeakPolarHBondContact CA-ND2 3.33Å; L13-N743 HydrophobicContact CB-CB 4.02Å; L13-N743 WeakPolarHBondContact CD1-O 3.3Å; L13-N743 VanDerWaalsContact CG-O 3.27Å; L13-N743 WeakPolarHBondContact CG-O 3.38Å; K59-N743 PolarHBondContact NZ-O 3.12Å
744	E	28.2	Very low	27.6	Very low	49 Å²	49	92.8 Å²	92.8	23%	0.229	53%	0.53	C	S	.	.			trans	51.9	-177.2	163.7	-63.6	155.6	-128.1	0	0	117.9	L13 K59 A746	L13-E744 HydrophobicContact CB-CB 3.62Å; L13-E744 HydrophobicContact CB-CG 4Å; L13-E744 VanDerWaalsContact CB-OE2 3.31Å; L13-E744 WeakPolarHBondContact CB-OE2 3.32Å; L13-E744 HydrophobicContact CD1-CB 3.7Å; L13-E744 HydrophobicContact CG-CB 4.14Å; L13-E744 PolarHBondContact N-OE1 3.01Å; K59-E744 WeakPolarHBondContact CD-O 3.21Å; K59-E744 WeakPolarHBondContact CE-O 3.46Å; K59-E744 WeakPolarHBondContact CG-O 3.46Å; E744-A746 HydrophobicContact CG-CB 4.07Å; E744-A746 WeakPolarHBondContact CG-O 3.49Å
745	C	31	Very low	27.5	Very low	77 Å²	77	87.9 Å²	87.9	52%	0.52	52%	0.519	S	S	.	.	S	Bend	cis	-67.6	75.4	6.1	-56.5	0	0	0	0	114.7	A57 P747	A57-C745 VanDerWaalsContact CA-O 3.23Å; A57-C745 WeakPolarHBondContact CA-O 3.44Å; C745-P747 WeakPolarHBondContact O-CD 3.29Å
746	A	32.1	Very low	27.8	Very low	44 Å²	44	86 Å²	86	36%	0.364	52%	0.516	S	S	.	.			trans	-109.9	90.6	164.7	0	0	0	0	0	108.3	A57 E744	A57-A746 HydrophobicContact CB-CB 3.98Å; E744-A746 HydrophobicContact CG-CB 4.07Å; E744-A746 WeakPolarHBondContact CG-O 3.49Å
747	P	26	Very low	28	Very low	55 Å²	55	85.3 Å²	85.3	36%	0.357	52%	0.524	S	S	.	.			trans	-64	175.9	144.4	-20	33.5	0	0	0	111.2	Y55 C745	Y55-P747 HydrophobicContact CD1-CB 3.79Å; Y55-P747 HydrophobicContact CD1-CG 3.58Å; Y55-P747 HydrophobicContact CD2-CB 4.2Å; Y55-P747 HydrophobicContact CE1-CB 3.69Å; Y55-P747 HydrophobicContact CE1-CG 3.58Å; Y55-P747 HydrophobicContact CE2-CB 4.17Å; Y55-P747 HydrophobicContact CG-CB 4.02Å; Y55-P747 HydrophobicContact CG-CG 4.24Å; C745-P747 WeakPolarHBondContact O-CD 3.29Å
748	D	30	Very low	28	Very low	99 Å²	99	85.2 Å²	85.2	53%	0.529	53%	0.532	S	S	.	.			trans	21.2	165.7	138.4	-23.8	-43.5	0	0	0	121	T53 K54 Y55	T53-D748 CarbonylContact O-C 3.54Å; K54-D748 CarbonylContact C-O 3.3Å; K54-D748 VanDerWaalsContact CA-O 3.31Å; K54-D748 WeakPolarHBondContact CA-O 3.24Å; Y55-D748 HydrophobicContact CD2-CB 4.1Å; Y55-D748 WeakPolarHBondContact CD2-O 3.38Å; Y55-D748 HydrophobicContact CE2-CB 3.72Å; Y55-D748 PolarHBondContact N-O 2.95Å; Y55-D748 PolarHBondContact OH-OD2 2.89Å
749	A	30.1	Very low	28.3	Very low	22 Å²	22	89.2 Å²	89.2	18%	0.182	54%	0.543	C	S	.	.			cis	-136.6	156.9	-9.8	0	0	0	0	0	111.3	S52 T53	S52-A749 WeakPolarHBondContact CB-O 3.35Å; T53-A749 PolarHBondContact O-N 3.03Å
750	Q	29.1	Very low	28.2	Very low	119 Å²	119	88.3 Å²	88.3	56%	0.556	54%	0.543	S	S	*	.			trans	44.6	-158.8	168.9	-52.8	133.2	-72.4	0	0	114.8	T53 K54	T53-Q750 PolarHBondContact OG1-OE1 2.88Å; K54-Q750 PolarHBondContact NZ-O 3.31Å
751	A	32.6	Very low	28.4	Very low	48 Å²	48	91.6 Å²	91.6	40%	0.397	55%	0.55	S	S	.	.			trans	-179.7	126.4	153	0	0	0	0	0	110.2
752	K	25	Very low	28.4	Very low	164 Å²	164	92.4 Å²	92.4	71%	0.713	55%	0.551	S	S	*	*			trans	72.3	132.2	174	-33.4	141.6	169.2	-176.4	0	114.4
753	N	29.2	Very low	28.7	Very low	139 Å²	139	94.6 Å²	94.6	74%	0.743	57%	0.565	S	S	*	*				160.5	93.9	92.7	-78.8	-40.5	0	0	0	111.1	D51	D51-N753 PolarHBondContact OD2-N 3.34Å
754	G	28.3	Very low	28.7	Very low	62 Å²	62	97.2 Å²	97.2	64%	0.639	59%	0.585	S	S	*	*			trans	-149.8	125.1	172.8	0	0	0	0	0	113.1	D51	D51-G754 PolarHBondContact OD2-N 2.87Å
755	C	22.9	Very low	28.6	Very low	93 Å²	93	104.7 Å²	104.7	63%	0.628	62%	0.617	S	S	*	*			trans	-169.5	167.1	-171.4	-92.7	0	0	0	0	108.9	N226 A227	N226-C755 CarbonylContact C-O 3.12Å; N226-C755 VanDerWaalsContact C-O 3.3Å; A227-C755 PolarHBondContact N-O 3.4Å
756	P	34.1	Very low	28.2	Very low	77 Å²	77	106.3 Å²	106.3	50%	0.5	64%	0.635	S	S	.	*			cis	-143.3	-159.1	-20.7	37	-14.4	0	0	0	113.6	A227	A227-P756 HydrophobicContact CB-CG 4.31Å
757	T	27.5	Very low	27.6	Very low	121 Å²	121	109.9 Å²	109.9	74%	0.742	66%	0.658	S	S	*	*			trans	69.4	157.7	151.8	42.7	0	0	0	0	119.5
758	T	28.4	Very low	27.5	Very low	125 Å²	125	113.6 Å²	113.6	77%	0.767	68%	0.684	S	S	*	*			cis	-164.7	162.3	2.2	16.2	0	0	0	0	107.8
759	E	27.8	Very low	27.2	Very low	154 Å²	154	114.3 Å²	114.3	72%	0.72	70%	0.696	S	S	*	*			cis	-170.6	-153.1	-25.8	-155.6	-131.1	-105.9	0	0	108.4
760	T	25.3	Very low	26.8	Very low	119 Å²	119	118.5 Å²	118.5	73%	0.73	73%	0.725	S	S	*	*			trans	72.2	147.7	179.6	75.2	0	0	0	0	116.1
761	V	27	Very low	26.5	Very low	134 Å²	134	118.5 Å²	118.5	81%	0.812	74%	0.735	S	S	*	*			cis	-131.2	163.5	21.5	176.7	0	0	0	0	112.7
762	V	23.2	Very low	26.1	Very low	119 Å²	119	122.2 Å²	122.2	72%	0.721	76%	0.758	S	S	*	*			trans	-147.9	156	-168.2	161.6	0	0	0	0	108.3
763	P	37.3	Very low	26.2	Very low	115 Å²	115	118.4 Å²	118.4	75%	0.747	76%	0.757	S	S	*	*			cis	-126.7	-138	12.2	32.6	-5.8	0	0	0	111.3
764	P	28.1	Very low	26.1	Very low	106 Å²	106	116.4 Å²	116.4	69%	0.688	75%	0.754	S	S	*	*			cis	-140.6	177.8	-13.9	43.8	-24.8	0	0	0	119.3
765	K	24.8	Very low	26.1	Very low	207 Å²	207	120.7 Å²	120.7	90%	0.9	76%	0.762	S	S	*	*			trans	64.1	90	155.9	-75.2	179.2	-178.5	178.4	0	120.1
766	A	24	Very low	26.3	Very low	110 Å²	110	118.7 Å²	118.7	91%	0.909	75%	0.749	S	S	*	*			trans	-150.4	99.4	135.5	0	0	0	0	0	110.1
767	S	19.9	Very low	26.2	Very low	119 Å²	119	119.6 Å²	119.6	83%	0.832	75%	0.754	S	S	*	*			trans	-99	120.7	-175.4	53.5	0	0	0	0	112.2
768	C	23.4	Very low	26.2	Very low	134 Å²	134	123.3 Å²	123.3	91%	0.905	75%	0.754	S	S	*	*			trans	-142.1	131.9	160.3	-111	0	0	0	0	111
769	S	23.6	Very low	26.4	Very low	113 Å²	113	125 Å²	125	79%	0.79	75%	0.751	S	S	*	*			trans	-70.2	158.3	-166.4	48	0	0	0	0	115.9
770	S	21.6	Very low	26.7	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	74%	0.74	S	S	*	*			trans	-43.3	153	167.7	-44.1	0	0	0	0	115
771	P	23.2	Very low	27	Very low	118 Å²	118	123 Å²	123	77%	0.766	73%	0.731	S	S	*	*				-117.3	126.9	126	33.2	-31.4	0	0	0	111.9	A773	P771-A773 PolarHBondContact O-N 3.12Å; P771-A773 VanDerWaalsContact O-N 3.17Å
772	S	23.8	Very low	27.2	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	73%	0.728	S	S	*	*			trans	-73.1	100	175.5	49.6	0	0	0	0	111.4
773	A	27.2	Very low	28.2	Very low	84 Å²	84	125.3 Å²	125.3	69%	0.694	72%	0.723	S	S	*	*			trans	-123.2	68.2	-170	0	0	0	0	0	114.8	P771	P771-A773 PolarHBondContact O-N 3.12Å; P771-A773 VanDerWaalsContact O-N 3.17Å
774	S	27.8	Very low	28.2	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	73%	0.73	S	S	*	*			trans	46.2	132.3	147.3	67.6	0	0	0	0	122.1	S776	S774-S776 VanDerWaalsContact C-N 3.3Å; S774-S776 PolarHBondContact O-N 2.91Å
775	N	26.8	Very low	29.4	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	72%	0.715	S	S	*	*	S	Bend	trans	-68.6	69.4	167.4	-77.3	-57.7	0	0	0	114
776	S	27.4	Very low	31	Very low	51 Å²	51	120.8 Å²	120.8	36%	0.357	69%	0.693	S	S	.	*			trans	-97.9	-58.7	-179.5	56.8	0	0	0	0	113.7	S774 W778 K779 E780	S774-S776 VanDerWaalsContact C-N 3.3Å; S774-S776 PolarHBondContact O-N 2.91Å; S776-W778 VanDerWaalsContact C-N 3.31Å; S776-W778 PolarHBondContact O-N 2.91Å; S776-W778 VanDerWaalsContact O-N 3.15Å; S776-K779 CarbonylContact O-C 3.54Å; S776-K779 WeakPolarHBondContact O-CA 3.48Å; S776-K779 WeakPolarHBondContact O-CB 3.36Å; S776-K779 PolarHBondContact O-N 3.13Å; S776-E780 PolarHBondContact O-N 3.04Å
777	T	31.3	Very low	32.4	Very low	96 Å²	96	123.8 Å²	123.8	59%	0.589	69%	0.686	S	S	*	*	H	α-helix	trans	-61.5	-29.8	-167.4	54.8	0	0	0	0	115	E780 F781	T777-E780 PolarHBondContact O-N 3.18Å; T777-F781 PolarHBondContact O-N 3.37Å
778	W	29.2	Very low	33.8	Very low	199 Å²	199	123.9 Å²	123.9	75%	0.754	68%	0.677	S	S	*	*	H	α-helix	trans	-76.2	-26.9	173.8	-159.6	-109.3	0	0	0	113	S776	S776-W778 VanDerWaalsContact C-N 3.31Å; S776-W778 PolarHBondContact O-N 2.91Å; S776-W778 VanDerWaalsContact O-N 3.15Å
779	K	31	Very low	35	Very low	159 Å²	159	121.2 Å²	121.2	69%	0.691	65%	0.65	S	S	*	*	H	α-helix	trans	-74.6	-35.7	168.2	-75.6	-176.5	174.8	179.5	0	111.2	S776 F781 K782 Q783	S776-K779 CarbonylContact O-C 3.54Å; S776-K779 WeakPolarHBondContact O-CA 3.48Å; S776-K779 WeakPolarHBondContact O-CB 3.36Å; S776-K779 PolarHBondContact O-N 3.13Å; K779-F781 VanDerWaalsContact C-N 3.31Å; K779-F781 PolarHBondContact O-N 3.4Å; K779-K782 CarbonylContact O-C 3.32Å; K779-K782 WeakPolarHBondContact O-CA 3.45Å; K779-K782 WeakPolarHBondContact O-CB 3.36Å; K779-K782 PolarHBondContact O-N 2.78Å; K779-Q783 PolarHBondContact O-N 3.14Å
780	E	35.6	Very low	36.4	Very low	106 Å²	106	124.6 Å²	124.6	50%	0.495	65%	0.645	S	S	.	*	H	α-helix	trans	-61.7	-38.5	172	-66.2	-179.8	145	0	0	112.2	S776 T777 K782 Q783	S776-E780 PolarHBondContact O-N 3.04Å; T777-E780 PolarHBondContact O-N 3.18Å; E780-K782 PolarHBondContact O-N 2.87Å; E780-K782 VanDerWaalsContact O-N 3.15Å; E780-Q783 WeakPolarHBondContact O-CB 3.37Å; E780-Q783 PolarHBondContact O-N 3.39Å
781	F	30.9	Very low	37.9	Very low	125 Å²	125	125.6 Å²	125.6	55%	0.548	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.7	-21.6	170.2	-108	-106.6	0	0	0	114.2	T777 K779	T777-F781 PolarHBondContact O-N 3.37Å; K779-F781 VanDerWaalsContact C-N 3.31Å; K779-F781 PolarHBondContact O-N 3.4Å
782	K	31.3	Very low	39.3	Very low	169 Å²	169	121.5 Å²	121.5	74%	0.735	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-0.5	174.6	-89.8	-171.8	175	-177.5	0	114.2	K779 E780 H784	K779-K782 CarbonylContact O-C 3.32Å; K779-K782 WeakPolarHBondContact O-CA 3.45Å; K779-K782 WeakPolarHBondContact O-CB 3.36Å; K779-K782 PolarHBondContact O-N 2.78Å; E780-K782 PolarHBondContact O-N 2.87Å; E780-K782 VanDerWaalsContact O-N 3.15Å; K782-H784 PolarHBondContact O-N 3.41Å
783	Q	43.5	Very low	40.5	Very low	134 Å²	134	116.5 Å²	116.5	63%	0.626	57%	0.57	S	S	*	*	S	Bend	trans	-55	137.9	175.9	-81.6	-178.3	12	0	0	111.2	K779 E780 M785	K779-Q783 PolarHBondContact O-N 3.14Å; E780-Q783 WeakPolarHBondContact O-CB 3.37Å; E780-Q783 PolarHBondContact O-N 3.39Å; Q783-M785 PolarHBondContact O-N 2.95Å
784	H	39.1	Very low	41.8	Very low	194 Å²	194	118 Å²	118	90%	0.898	56%	0.563	S	S	*	*			trans	-70.6	74	176.5	-92	-125	0	0	0	111.2	K782 S786	K782-H784 PolarHBondContact O-N 3.41Å; H784-S786 PolarHBondContact O-N 2.68Å; H784-S786 VanDerWaalsContact O-N 3.13Å
785	M	52.9	Low	43.1	Very low	74 Å²	74	116.6 Å²	116.6	37%	0.365	54%	0.544	S	S	.	.			trans	-50	122.3	167.7	-71.3	-171.8	-177.8	0	0	109	Q783 K789 R790 L793	Q783-M785 PolarHBondContact O-N 2.95Å; M785-K789 HydrophobicContact CB-CB 4.41Å; M785-R790 HydrophobicContact CB-CB 4.2Å; M785-L793 HydrophobicContact CE-CD2 4.04Å; M785-L793 HydrophobicContact SD-CD2 3.83Å
786	S	57.2	Low	44.1	Very low	64 Å²	64	109.8 Å²	109.8	45%	0.448	51%	0.508	S	S	.	.			trans	-51.8	148.7	-179.2	79	0	0	0	0	110.9	H784 N788 K789 R790	H784-S786 PolarHBondContact O-N 2.68Å; H784-S786 VanDerWaalsContact O-N 3.13Å; S786-N788 CarbonylContact O-C 3.54Å; S786-N788 PolarHBondContact O-N 2.64Å; S786-K789 PolarHBondContact O-N 2.96Å; S786-K789 PolarHBondContact OG-N 2.78Å; S786-R790 PolarHBondContact O-N 3.34Å
787	K	54.3	Low	45	Very low	174 Å²	174	110.5 Å²	110.5	76%	0.757	51%	0.507	S	S	*	.	H	α-helix	trans	-54.3	-21.5	-178	-157.4	169.5	-171.8	170.6	0	112.4	K791	K787-K791 WeakPolarHBondContact O-CB 3.12Å; K787-K791 WeakPolarHBondContact O-CD 3.45Å; K787-K791 WeakPolarHBondContact O-CG 3.47Å; K787-K791 PolarHBondContact O-N 2.82Å
788	N	49	Very low	46.1	Very low	120 Å²	120	111.4 Å²	111.4	64%	0.642	50%	0.503	S	S	*	.	H	α-helix	trans	-83.3	-49	171.5	-66.9	-19.6	0	0	0	113.3	S786 R790 K791 M792	S786-N788 CarbonylContact O-C 3.54Å; S786-N788 PolarHBondContact O-N 2.64Å; N788-R790 VanDerWaalsContact C-N 3.35Å; N788-R790 PolarHBondContact O-N 3.44Å; N788-K791 PolarHBondContact O-N 3.42Å; N788-M792 WeakPolarHBondContact O-CB 3.31Å; N788-M792 PolarHBondContact O-N 2.73Å
789	K	48.4	Very low	46.9	Very low	78 Å²	78	102.8 Å²	102.8	34%	0.339	47%	0.47	S	S	.	.	H	α-helix	trans	-55.6	-47.9	173.6	-81.2	-162.8	178.3	-168.6	0	111.2	D689 V692 M785 S786 K791 M792 L793	D689-K789 VanDerWaalsContact OD1-CE 3.25Å; D689-K789 WeakPolarHBondContact OD1-CE 3.32Å; D689-K789 IonicContact OD1-NZ 2.64Å; D689-K789 PolarHBondContact OD1-NZ 3.39Å; V692-K789 HydrophobicContact CG1-CG 4.23Å; M785-K789 HydrophobicContact CB-CB 4.41Å; S786-K789 PolarHBondContact O-N 2.96Å; S786-K789 PolarHBondContact OG-N 2.78Å; K789-K791 PolarHBondContact O-N 3.34Å; K789-M792 PolarHBondContact O-N 3.36Å; K789-M792 VanDerWaalsContact O-N 3.13Å; K789-L793 WeakPolarHBondContact O-CB 3.14Å; K789-L793 PolarHBondContact O-N 3.14Å
790	R	52.3	Low	47.6	Very low	184 Å²	184	98.2 Å²	98.2	69%	0.694	45%	0.449	S	S	*	.	H	α-helix	trans	-63	-37.6	178.4	-167.7	173.1	179.4	178.5	0.3	112.8	M785 S786 N788 H794	M785-R790 HydrophobicContact CB-CB 4.2Å; S786-R790 PolarHBondContact O-N 3.34Å; N788-R790 VanDerWaalsContact C-N 3.35Å; N788-R790 PolarHBondContact O-N 3.44Å; R790-H794 WeakPolarHBondContact O-CB 3.49Å; R790-H794 PolarHBondContact O-N 3.25Å
791	K	53.8	Low	48.2	Very low	132 Å²	132	97.5 Å²	97.5	57%	0.574	45%	0.447	S	S	*	.	H	α-helix	trans	-65.9	-40.8	172.1	-85.4	176.1	179.9	-178.2	0	112.3	K787 N788 K789 H794 K795	K787-K791 WeakPolarHBondContact O-CB 3.12Å; K787-K791 WeakPolarHBondContact O-CD 3.45Å; K787-K791 WeakPolarHBondContact O-CG 3.47Å; K787-K791 PolarHBondContact O-N 2.82Å; N788-K791 PolarHBondContact O-N 3.42Å; K789-K791 PolarHBondContact O-N 3.34Å; K791-H794 PolarHBondContact O-N 3Å; K791-K795 PolarHBondContact O-N 3.42Å
792	M	52	Low	49	Very low	32 Å²	32	95.2 Å²	95.2	16%	0.158	44%	0.437	C	S	.	.	H	α-helix	trans	-69	-48.9	-179.6	-170.6	165.4	-71.7	0	0	111	I691 V692 L700 N788 K789 H794 K795 L796	I691-M792 HydrophobicContact CG2-SD 4.41Å; V692-M792 HydrophobicContact CG2-SD 3.54Å; V692-M792 VanDerWaalsContact CG2-SD 3.54Å; L700-M792 HydrophobicContact CB-CE 4.3Å; L700-M792 HydrophobicContact CD2-CE 3.96Å; L700-M792 HydrophobicContact CD2-SD 4.02Å; N788-M792 WeakPolarHBondContact O-CB 3.31Å; N788-M792 PolarHBondContact O-N 2.73Å; K789-M792 PolarHBondContact O-N 3.36Å; K789-M792 VanDerWaalsContact O-N 3.13Å; M792-H794 VanDerWaalsContact C-N 3.3Å; M792-H794 PolarHBondContact O-N 3.46Å; M792-K795 WeakPolarHBondContact O-CB 3.29Å; M792-K795 PolarHBondContact O-N 2.81Å; M792-K795 VanDerWaalsContact O-N 3.15Å; M792-L796 HydrophobicContact CG-CD1 3.96Å; M792-L796 HydrophobicContact CG-CG 4.34Å; M792-L796 WeakPolarHBondContact O-CB 3.38Å; M792-L796 WeakPolarHBondContact O-CG 3.3Å; M792-L796 PolarHBondContact O-N 3.05Å
793	L	49.8	Very low	49.6	Very low	22 Å²	22	88 Å²	88	12%	0.115	41%	0.409	C	S	.	.	H	α-helix	trans	-54.2	-45	171.6	178	62.5	0	0	0	111.7	R685 V688 M785 K789 L796 L797	R685-L793 HydrophobicContact CG-CD1 4.19Å; V688-L793 HydrophobicContact CG1-CB 4.48Å; V688-L793 HydrophobicContact CG2-CB 4.09Å; V688-L793 HydrophobicContact CG2-CD1 3.9Å; M785-L793 HydrophobicContact CE-CD2 4.04Å; M785-L793 HydrophobicContact SD-CD2 3.83Å; K789-L793 WeakPolarHBondContact O-CB 3.14Å; K789-L793 PolarHBondContact O-N 3.14Å; L793-L796 PolarHBondContact O-N 3.17Å; L793-L797 HydrophobicContact CD1-CD1 3.94Å; L793-L797 HydrophobicContact CD1-CG 4.1Å; L793-L797 HydrophobicContact CG-CD1 3.94Å; L793-L797 WeakPolarHBondContact O-CB 3.44Å; L793-L797 VanDerWaalsContact O-CG 3.29Å; L793-L797 WeakPolarHBondContact O-CG 3.45Å; L793-L797 PolarHBondContact O-N 2.94Å
794	H	54.9	Low	49.7	Very low	117 Å²	117	86.7 Å²	86.7	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-41.5	176.4	-175.6	83.6	0	0	0	113.2	R790 K791 M792 K798	R790-H794 WeakPolarHBondContact O-CB 3.49Å; R790-H794 PolarHBondContact O-N 3.25Å; K791-H794 PolarHBondContact O-N 3Å; M792-H794 VanDerWaalsContact C-N 3.3Å; M792-H794 PolarHBondContact O-N 3.46Å; H794-K798 WeakPolarHBondContact O-CB 3.13Å; H794-K798 PolarHBondContact O-N 3.34Å
795	K	54.9	Low	50	Low	67 Å²	67	83 Å²	83	29%	0.291	38%	0.38	S	S	.	.	H	α-helix	trans	-57.3	-51.6	171.9	-86.9	-163.7	-179.3	-172.9	0	110.3	S704 E708 K791 M792 K798 Y799	S704-K795 PolarHBondContact OG-NZ 3.07Å; E708-K795 IonicContact OE2-NZ 2.61Å; E708-K795 PolarHBondContact OE2-NZ 3.13Å; K791-K795 PolarHBondContact O-N 3.42Å; M792-K795 WeakPolarHBondContact O-CB 3.29Å; M792-K795 PolarHBondContact O-N 2.81Å; M792-K795 VanDerWaalsContact O-N 3.15Å; K795-K798 CarbonylContact O-C 3.23Å; K795-K798 WeakPolarHBondContact O-CA 3.42Å; K795-K798 WeakPolarHBondContact O-CB 3.46Å; K795-K798 PolarHBondContact O-N 2.92Å; K795-K798 VanDerWaalsContact O-N 3.14Å; K795-Y799 HydrophobicContact CB-CD2 4.29Å; K795-Y799 HydrophobicContact CB-CE2 4.06Å; K795-Y799 HydrophobicContact CD-CE2 4.38Å; K795-Y799 HydrophobicContact CG-CE2 4.49Å; K795-Y799 WeakPolarHBondContact O-CD2 3.31Å; K795-Y799 PolarHBondContact O-N 3.13Å
796	L	47.1	Very low	49.4	Very low	8 Å²	8	83.1 Å²	83.1	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-68.2	-38.9	-173.6	-66.9	-177.6	0	0	0	112.6	F677 V688 I691 M792 L793 K798 Y799 R800	F677-L796 HydrophobicContact CE1-CB 3.73Å; F677-L796 HydrophobicContact CE1-CD1 3.95Å; F677-L796 HydrophobicContact CE1-CD2 3.98Å; F677-L796 HydrophobicContact CE1-CG 4.05Å; F677-L796 HydrophobicContact CE2-CD2 3.86Å; F677-L796 HydrophobicContact CZ-CB 4.01Å; F677-L796 HydrophobicContact CZ-CD1 3.57Å; F677-L796 HydrophobicContact CZ-CD2 3.36Å; F677-L796 HydrophobicContact CZ-CG 3.79Å; V688-L796 HydrophobicContact CG2-CB 4.38Å; V688-L796 HydrophobicContact CG2-CD1 3.6Å; I691-L796 HydrophobicContact CD1-CD1 4.18Å; M792-L796 HydrophobicContact CG-CD1 3.96Å; M792-L796 HydrophobicContact CG-CG 4.34Å; M792-L796 WeakPolarHBondContact O-CB 3.38Å; M792-L796 WeakPolarHBondContact O-CG 3.3Å; M792-L796 PolarHBondContact O-N 3.05Å; L793-L796 PolarHBondContact O-N 3.17Å; L796-K798 PolarHBondContact O-N 3.14Å; L796-Y799 HydrophobicContact CD2-CD2 4.23Å; L796-Y799 PolarHBondContact O-N 3.42Å; L796-R800 PolarHBondContact O-N 3.24Å
797	L	47.4	Very low	48.6	Very low	66 Å²	66	83 Å²	83	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-44.6	168	-73.9	168.8	0	0	0	112	P684 L793 Y799 R800 I801	P684-L797 HydrophobicContact CB-CD2 4.15Å; P684-L797 HydrophobicContact CG-CD2 3.57Å; L793-L797 HydrophobicContact CD1-CD1 3.94Å; L793-L797 HydrophobicContact CD1-CG 4.1Å; L793-L797 HydrophobicContact CG-CD1 3.94Å; L793-L797 WeakPolarHBondContact O-CB 3.44Å; L793-L797 VanDerWaalsContact O-CG 3.29Å; L793-L797 WeakPolarHBondContact O-CG 3.45Å; L793-L797 PolarHBondContact O-N 2.94Å; L797-Y799 VanDerWaalsContact C-N 3.26Å; L797-Y799 PolarHBondContact O-N 3.43Å; L797-R800 PolarHBondContact O-N 2.97Å; L797-I801 VanDerWaalsContact O-CG1 3.31Å; L797-I801 WeakPolarHBondContact O-CG1 3.49Å; L797-I801 PolarHBondContact O-N 3.31Å
798	K	53.1	Low	48	Very low	116 Å²	116	78.7 Å²	78.7	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-30	176.8	-170	171.8	-171.3	168.8	0	112.4	H794 K795 L796 K802	H794-K798 WeakPolarHBondContact O-CB 3.13Å; H794-K798 PolarHBondContact O-N 3.34Å; K795-K798 CarbonylContact O-C 3.23Å; K795-K798 WeakPolarHBondContact O-CA 3.42Å; K795-K798 WeakPolarHBondContact O-CB 3.46Å; K795-K798 PolarHBondContact O-N 2.92Å; K795-K798 VanDerWaalsContact O-N 3.14Å; L796-K798 PolarHBondContact O-N 3.14Å; K798-K802 VanDerWaalsContact O-CG 3.31Å; K798-K802 WeakPolarHBondContact O-CG 3.31Å; K798-K802 PolarHBondContact O-N 3.2Å
799	Y	47.3	Very low	47.6	Very low	18 Å²	18	76.1 Å²	76.1	7%	0.071	34%	0.341	C	S	.	.	H	α-helix	trans	-76.5	-42.7	171.5	-69.7	-63.1	0	0	0	112.5	F707 E708 M711 K795 L796 L797 I801 K802 A803	F707-Y799 AromaticContact CD1-CD2 3.89Å; F707-Y799 HydrophobicContact CD1-CD2 3.89Å; F707-Y799 HydrophobicContact CD1-CE1 4.4Å; F707-Y799 AromaticContact CD1-CE2 3.72Å; F707-Y799 HydrophobicContact CD1-CE2 3.72Å; F707-Y799 HydrophobicContact CD1-CG 4.33Å; F707-Y799 AromaticContact CD1-CZ 3.99Å; F707-Y799 AromaticContact CE1-CD1 3.86Å; F707-Y799 HydrophobicContact CE1-CD1 3.86Å; F707-Y799 AromaticContact CE1-CD2 3.42Å; F707-Y799 HydrophobicContact CE1-CD2 3.42Å; F707-Y799 VanDerWaalsContact CE1-CD2 3.42Å; F707-Y799 HydrophobicContact CE1-CE1 4.14Å; F707-Y799 AromaticContact CE1-CE2 3.74Å; F707-Y799 HydrophobicContact CE1-CE2 3.74Å; F707-Y799 AromaticContact CE1-CG 3.5Å; F707-Y799 HydrophobicContact CE1-CG 3.5Å; F707-Y799 VanDerWaalsContact CE1-CG 3.5Å; F707-Y799 HydrophobicContact CZ-CD2 4.41Å; F707-Y799 HydrophobicContact CZ-CG 4.35Å; E708-Y799 WeakPolarHBondContact CB-OH 3.3Å; E708-Y799 WeakPolarHBondContact CG-OH 3.43Å; M711-Y799 HydrophobicContact CB-CD1 4.28Å; M711-Y799 HydrophobicContact CB-CE1 3.75Å; M711-Y799 HydrophobicContact CE-CD1 4.01Å; M711-Y799 HydrophobicContact CG-CD1 3.96Å; M711-Y799 HydrophobicContact CG-CE1 3.85Å; K795-Y799 HydrophobicContact CB-CD2 4.29Å; K795-Y799 HydrophobicContact CB-CE2 4.06Å; K795-Y799 HydrophobicContact CD-CE2 4.38Å; K795-Y799 HydrophobicContact CG-CE2 4.49Å; K795-Y799 WeakPolarHBondContact O-CD2 3.31Å; K795-Y799 PolarHBondContact O-N 3.13Å; L796-Y799 HydrophobicContact CD2-CD2 4.23Å; L796-Y799 PolarHBondContact O-N 3.42Å; L797-Y799 VanDerWaalsContact C-N 3.26Å; L797-Y799 PolarHBondContact O-N 3.43Å; Y799-I801 VanDerWaalsContact C-N 3.3Å; Y799-I801 PolarHBondContact O-N 2.91Å; Y799-K802 HydrophobicContact CD1-CD 4.4Å; Y799-K802 PolarHBondContact O-N 3.12Å; Y799-K802 VanDerWaalsContact O-N 3.14Å; Y799-A803 VanDerWaalsContact O-CB 3.29Å; Y799-A803 WeakPolarHBondContact O-CB 3.23Å; Y799-A803 PolarHBondContact O-N 2.8Å
800	R	45.5	Very low	47.1	Very low	63 Å²	63	78.6 Å²	78.6	24%	0.238	36%	0.358	C	S	.	.	H	α-helix	trans	-55.8	-44.2	172.5	-176	165.9	-158.5	-149.5	10.4	111.5	F677 S679 P680 V682 L796 L797 A803 K804	F677-R800 WeakPolarHBondContact O-CD 3.4Å; F677-R800 VanDerWaalsContact O-CG 3.28Å; F677-R800 WeakPolarHBondContact O-CG 3.5Å; F677-R800 PolarHBondContact O-NE 2.99Å; F677-R800 VanDerWaalsContact O-NE 3.16Å; S679-R800 PolarHBondContact O-NH2 3.48Å; P680-R800 PolarHBondContact O-NH2 2.99Å; P680-R800 VanDerWaalsContact O-NH2 3.09Å; V682-R800 PolarHBondContact O-NH2 3.02Å; L796-R800 PolarHBondContact O-N 3.24Å; L797-R800 PolarHBondContact O-N 2.97Å; R800-A803 PolarHBondContact O-N 2.75Å; R800-K804 WeakPolarHBondContact O-CB 3.39Å; R800-K804 PolarHBondContact O-N 2.98Å
801	I	47	Very low	46.6	Very low	90 Å²	90	75.8 Å²	75.8	46%	0.462	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.5	-67.4	165.1	0	0	0	111.8	L797 Y799 R805	L797-I801 VanDerWaalsContact O-CG1 3.31Å; L797-I801 WeakPolarHBondContact O-CG1 3.49Å; L797-I801 PolarHBondContact O-N 3.31Å; Y799-I801 VanDerWaalsContact C-N 3.3Å; Y799-I801 PolarHBondContact O-N 2.91Å; I801-R805 WeakPolarHBondContact O-CB 3.28Å; I801-R805 WeakPolarHBondContact O-CD 3.21Å; I801-R805 WeakPolarHBondContact O-CG 3.14Å; I801-R805 PolarHBondContact O-N 2.95Å
802	K	47.8	Very low	46	Very low	77 Å²	77	69.5 Å²	69.5	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-40.6	175.4	-80.6	175.8	174.5	-176	0	112.7	K798 Y799 R805 F806	K798-K802 VanDerWaalsContact O-CG 3.31Å; K798-K802 WeakPolarHBondContact O-CG 3.31Å; K798-K802 PolarHBondContact O-N 3.2Å; Y799-K802 HydrophobicContact CD1-CD 4.4Å; Y799-K802 PolarHBondContact O-N 3.12Å; Y799-K802 VanDerWaalsContact O-N 3.14Å; K802-R805 WeakPolarHBondContact O-CB 3.19Å; K802-R805 PolarHBondContact O-N 3.04Å; K802-F806 PolarHBondContact O-N 3.41Å; K802-F806 VanDerWaalsContact O-N 3.14Å
803	A	45.2	Very low	45.2	Very low	18 Å²	18	71.1 Å²	71.1	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-49.7	-178.7	0	0	0	0	0	109.5	L678 Y799 R800 R805 F806 F807	L678-A803 HydrophobicContact CD2-CB 3.56Å; L678-A803 HydrophobicContact CG-CB 4.24Å; Y799-A803 VanDerWaalsContact O-CB 3.29Å; Y799-A803 WeakPolarHBondContact O-CB 3.23Å; Y799-A803 PolarHBondContact O-N 2.8Å; R800-A803 PolarHBondContact O-N 2.75Å; A803-R805 VanDerWaalsContact C-N 3.26Å; A803-R805 PolarHBondContact O-N 2.85Å; A803-F806 WeakPolarHBondContact O-CA 3.43Å; A803-F806 WeakPolarHBondContact O-CB 3.27Å; A803-F806 PolarHBondContact O-N 3.14Å; A803-F807 VanDerWaalsContact O-CD2 3.29Å; A803-F807 WeakPolarHBondContact O-CD2 3.47Å; A803-F807 PolarHBondContact O-N 2.71Å; A803-F807 VanDerWaalsContact O-N 3.13Å
804	K	45.9	Very low	44.7	Very low	106 Å²	106	74.8 Å²	74.8	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-53.2	-42.8	172.1	-168.5	178.4	177.8	173.8	0	111.9	R800 F806 F807 Q808	R800-K804 WeakPolarHBondContact O-CB 3.39Å; R800-K804 PolarHBondContact O-N 2.98Å; K804-F806 VanDerWaalsContact C-N 3.3Å; K804-F806 PolarHBondContact O-N 3.1Å; K804-F807 PolarHBondContact O-N 2.82Å; K804-Q808 HydrophobicContact CG-CG 4.36Å; K804-Q808 WeakPolarHBondContact O-CB 3.11Å; K804-Q808 VanDerWaalsContact O-CG 3.24Å; K804-Q808 WeakPolarHBondContact O-CG 3.39Å; K804-Q808 PolarHBondContact O-N 3.26Å
805	R	43.6	Very low	44.1	Very low	118 Å²	118	71 Å²	71	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-32.9	174.3	-77.3	168.1	-172.7	-144.2	-7.8	114.4	Y65 I801 K802 A803	Y65-R805 HydrophobicContact CE1-CG 3.63Å; Y65-R805 VanDerWaalsContact CZ-CZ 3.41Å; Y65-R805 VanDerWaalsContact CZ-NH2 3.33Å; Y65-R805 WeakPolarHBondContact OH-CD 3.16Å; Y65-R805 WeakPolarHBondContact OH-CG 3.31Å; Y65-R805 PolarHBondContact OH-NE 2.93Å; Y65-R805 PolarHBondContact OH-NH1 3.13Å; Y65-R805 PolarHBondContact OH-NH2 2.89Å; I801-R805 WeakPolarHBondContact O-CB 3.28Å; I801-R805 WeakPolarHBondContact O-CD 3.21Å; I801-R805 WeakPolarHBondContact O-CG 3.14Å; I801-R805 PolarHBondContact O-N 2.95Å; K802-R805 WeakPolarHBondContact O-CB 3.19Å; K802-R805 PolarHBondContact O-N 3.04Å; A803-R805 VanDerWaalsContact C-N 3.26Å; A803-R805 PolarHBondContact O-N 2.85Å
806	F	41.5	Very low	43.4	Very low	75 Å²	75	72 Å²	72	33%	0.329	35%	0.353	S	S	.	.	H	α-helix	trans	-72.3	-43.9	176.8	-178.6	-92.8	0	0	0	111.4	A718 K802 A803 K804 Q808 T809 G812	A718-F806 HydrophobicContact CB-CE2 4.19Å; K802-F806 PolarHBondContact O-N 3.41Å; K802-F806 VanDerWaalsContact O-N 3.14Å; A803-F806 WeakPolarHBondContact O-CA 3.43Å; A803-F806 WeakPolarHBondContact O-CB 3.27Å; A803-F806 PolarHBondContact O-N 3.14Å; K804-F806 VanDerWaalsContact C-N 3.3Å; K804-F806 PolarHBondContact O-N 3.1Å; F806-Q808 PolarHBondContact O-N 3.46Å; F806-T809 PolarHBondContact O-N 3.02Å; F806-T809 PolarHBondContact O-OG1 3.34Å; F806-G812 WeakPolarHBondContact O-CA 3Å
807	F	40.5	Very low	43	Very low	63 Å²	63	78.3 Å²	78.3	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-76.8	-3.8	174.9	-66	-83.3	0	0	0	114.2	L678 A803 K804 G812 F816	L678-F807 HydrophobicContact CD1-CD2 4Å; L678-F807 HydrophobicContact CD1-CE2 3.36Å; L678-F807 HydrophobicContact CD1-CZ 3.86Å; L678-F807 HydrophobicContact CD2-CD2 3.37Å; L678-F807 HydrophobicContact CD2-CE2 3.61Å; L678-F807 HydrophobicContact CD2-CG 4.36Å; L678-F807 HydrophobicContact CG-CD2 4.34Å; L678-F807 HydrophobicContact CG-CE2 4.14Å; A803-F807 VanDerWaalsContact O-CD2 3.29Å; A803-F807 WeakPolarHBondContact O-CD2 3.47Å; A803-F807 PolarHBondContact O-N 2.71Å; A803-F807 VanDerWaalsContact O-N 3.13Å; K804-F807 PolarHBondContact O-N 2.82Å; F807-G812 VanDerWaalsContact CD1-O 3.3Å; F807-G812 WeakPolarHBondContact CD1-O 3.48Å; F807-F816 AromaticContact CD1-CD2 3.7Å; F807-F816 HydrophobicContact CD1-CD2 3.7Å; F807-F816 AromaticContact CD1-CE2 3.83Å; F807-F816 HydrophobicContact CD1-CE2 3.83Å; F807-F816 AromaticContact CE1-CD2 3.63Å; F807-F816 HydrophobicContact CE1-CD2 3.63Å; F807-F816 AromaticContact CE1-CE2 3.64Å; F807-F816 HydrophobicContact CE1-CE2 3.64Å; F807-F816 HydrophobicContact CZ-CE2 4.44Å
808	Q	41.4	Very low	42.7	Very low	83 Å²	83	80.7 Å²	80.7	39%	0.388	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	12.6	169.4	-71.7	-175.2	-78.5	0	0	112.9	C64 K804 F806	C64-Q808 PolarHBondContact O-NE2 3.49Å; K804-Q808 HydrophobicContact CG-CG 4.36Å; K804-Q808 WeakPolarHBondContact O-CB 3.11Å; K804-Q808 VanDerWaalsContact O-CG 3.24Å; K804-Q808 WeakPolarHBondContact O-CG 3.39Å; K804-Q808 PolarHBondContact O-N 3.26Å; F806-Q808 PolarHBondContact O-N 3.46Å
809	T	41	Very low	42.4	Very low	65 Å²	65	77.5 Å²	77.5	40%	0.399	39%	0.388	S	S	.	.	S	Bend	trans	-116	150.8	166.8	50.4	0	0	0	0	108.8	F806 I811 G812 T813	F806-T809 PolarHBondContact O-N 3.02Å; F806-T809 PolarHBondContact O-OG1 3.34Å; T809-I811 PolarHBondContact O-N 3.17Å; T809-G812 WeakPolarHBondContact O-CA 3.33Å; T809-G812 PolarHBondContact O-N 2.75Å; T809-T813 PolarHBondContact O-N 3.21Å
810	D	37.9	Very low	42.2	Very low	131 Å²	131	83.3 Å²	83.3	70%	0.701	41%	0.413	S	S	*	.	H	α-helix	trans	-60.2	-27.7	-165.9	-43.6	-70.9	0	0	0	113.6	G812 T813 N814	D810-G812 VanDerWaalsContact C-N 3.28Å; D810-G812 PolarHBondContact O-N 2.8Å; D810-T813 WeakPolarHBondContact CA-OG1 3.36Å; D810-T813 PolarHBondContact O-OG1 3.01Å; D810-T813 VanDerWaalsContact O-OG1 3.06Å; D810-N814 WeakPolarHBondContact O-CB 3.3Å; D810-N814 VanDerWaalsContact O-CG 3.27Å; D810-N814 PolarHBondContact O-N 2.91Å; D810-N814 VanDerWaalsContact O-N 3.11Å; D810-N814 PolarHBondContact O-ND2 3.23Å
811	I	41.2	Very low	42.3	Very low	125 Å²	125	85.5 Å²	85.5	64%	0.641	43%	0.43	S	S	*	.	H	α-helix	trans	-61.3	-36.6	172.4	-58.1	171.7	0	0	0	111.4	T809 A815	T809-I811 PolarHBondContact O-N 3.17Å; I811-A815 WeakPolarHBondContact O-CB 3.49Å; I811-A815 PolarHBondContact O-N 2.83Å
812	G	40.6	Very low	42	Very low	0 Å²	0	86.3 Å²	86.3	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-82.1	-30.2	-176.9	0	0	0	0	0	114.4	F806 F807 T809 D810 A815	F806-G812 WeakPolarHBondContact O-CA 3Å; F807-G812 VanDerWaalsContact CD1-O 3.3Å; F807-G812 WeakPolarHBondContact CD1-O 3.48Å; T809-G812 WeakPolarHBondContact O-CA 3.33Å; T809-G812 PolarHBondContact O-N 2.75Å; D810-G812 VanDerWaalsContact C-N 3.28Å; D810-G812 PolarHBondContact O-N 2.8Å; G812-A815 PolarHBondContact O-N 3.47Å
813	T	35.9	Very low	41.6	Very low	66 Å²	66	87.5 Å²	87.5	41%	0.405	44%	0.442	S	S	.	.	H	α-helix	trans	-67.5	-45.8	166.4	26.6	0	0	0	0	110.4	T809 D810 A815 F816 H817	T809-T813 PolarHBondContact O-N 3.21Å; D810-T813 WeakPolarHBondContact CA-OG1 3.36Å; D810-T813 PolarHBondContact O-OG1 3.01Å; D810-T813 VanDerWaalsContact O-OG1 3.06Å; T813-A815 PolarHBondContact O-N 3.3Å; T813-F816 WeakPolarHBondContact O-CB 3.08Å; T813-F816 PolarHBondContact O-N 2.84Å; T813-H817 PolarHBondContact O-CD2 2.8Å; T813-H817 PolarHBondContact O-N 3.5Å
814	N	39.5	Very low	41.6	Very low	99 Å²	99	89.4 Å²	89.4	53%	0.529	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-27.7	174.8	-68.8	-12.3	0	0	0	113	D810 F816 H817 T818	D810-N814 WeakPolarHBondContact O-CB 3.3Å; D810-N814 VanDerWaalsContact O-CG 3.27Å; D810-N814 PolarHBondContact O-N 2.91Å; D810-N814 VanDerWaalsContact O-N 3.11Å; D810-N814 PolarHBondContact O-ND2 3.23Å; N814-F816 VanDerWaalsContact C-N 3.26Å; N814-F816 PolarHBondContact O-N 2.73Å; N814-H817 PolarHBondContact O-N 2.69Å; N814-T818 PolarHBondContact O-N 3.01Å; N814-T818 PolarHBondContact O-OG1 2.86Å
815	A	42.5	Very low	41.4	Very low	38 Å²	38	89.7 Å²	89.7	31%	0.314	45%	0.45	S	S	.	.	H	α-helix	trans	-70.2	-14	171.2	0	0	0	0	0	114.6	I811 G812 T813 T818	I811-A815 WeakPolarHBondContact O-CB 3.49Å; I811-A815 PolarHBondContact O-N 2.83Å; G812-A815 PolarHBondContact O-N 3.47Å; T813-A815 PolarHBondContact O-N 3.3Å; A815-T818 WeakPolarHBondContact CA-OG1 3.4Å; A815-T818 PolarHBondContact O-OG1 3.41Å
816	F	40.1	Very low	41.2	Very low	87 Å²	87	86.8 Å²	86.8	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-92.4	-35.3	169.3	-108.4	-89.3	0	0	0	112.1	F807 T813 N814 T818 L819 L827	F807-F816 AromaticContact CD1-CD2 3.7Å; F807-F816 HydrophobicContact CD1-CD2 3.7Å; F807-F816 AromaticContact CD1-CE2 3.83Å; F807-F816 HydrophobicContact CD1-CE2 3.83Å; F807-F816 AromaticContact CE1-CD2 3.63Å; F807-F816 HydrophobicContact CE1-CD2 3.63Å; F807-F816 AromaticContact CE1-CE2 3.64Å; F807-F816 HydrophobicContact CE1-CE2 3.64Å; F807-F816 HydrophobicContact CZ-CE2 4.44Å; T813-F816 WeakPolarHBondContact O-CB 3.08Å; T813-F816 PolarHBondContact O-N 2.84Å; N814-F816 VanDerWaalsContact C-N 3.26Å; N814-F816 PolarHBondContact O-N 2.73Å; F816-T818 PolarHBondContact O-N 2.62Å; F816-L819 HydrophobicContact CD1-CD1 3.89Å; F816-L819 HydrophobicContact CE1-CD1 4.05Å; F816-L819 HydrophobicContact CG-CD1 4.37Å; F816-L819 WeakPolarHBondContact O-CB 3.42Å; F816-L819 PolarHBondContact O-N 2.79Å; F816-L827 HydrophobicContact CE1-CD2 3.75Å; F816-L827 HydrophobicContact CZ-CD2 3.71Å
817	H	38.9	Very low	41.4	Very low	140 Å²	140	86.3 Å²	86.3	65%	0.648	45%	0.451	S	S	*	.	H	α-helix	trans	-67.8	-16.4	174.6	-63.2	-63.5	0	0	0	113.5	T813 N814	T813-H817 PolarHBondContact O-CD2 2.8Å; T813-H817 PolarHBondContact O-N 3.5Å; N814-H817 PolarHBondContact O-N 2.69Å
818	T	40.7	Very low	41.5	Very low	116 Å²	116	89.6 Å²	89.6	71%	0.712	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.1	175	40.1	0	0	0	0	114.4	N814 A815 F816	N814-T818 PolarHBondContact O-N 3.01Å; N814-T818 PolarHBondContact O-OG1 2.86Å; A815-T818 WeakPolarHBondContact CA-OG1 3.4Å; A815-T818 PolarHBondContact O-OG1 3.41Å; F816-T818 PolarHBondContact O-N 2.62Å
819	L	46	Very low	41.4	Very low	49 Å²	49	90.3 Å²	90.3	26%	0.257	47%	0.471	S	S	.	.	S	Bend	trans	-76.9	137.9	165.1	-65.7	172.5	0	0	0	109.5	F816 Q823 K824	F816-L819 HydrophobicContact CD1-CD1 3.89Å; F816-L819 HydrophobicContact CE1-CD1 4.05Å; F816-L819 HydrophobicContact CG-CD1 4.37Å; F816-L819 WeakPolarHBondContact O-CB 3.42Å; F816-L819 PolarHBondContact O-N 2.79Å; L819-Q823 HydrophobicContact CB-CB 4.34Å; L819-Q823 HydrophobicContact CD2-CB 4.35Å; L819-K824 HydrophobicContact CB-CG 4.04Å; L819-K824 WeakPolarHBondContact O-CE 3.32Å; L819-K824 PolarHBondContact O-NZ 3.29Å
820	K	44.6	Very low	41.3	Very low	140 Å²	140	89.6 Å²	89.6	61%	0.609	46%	0.464	S	S	*	.			trans	-64.7	154.3	165.3	-68.2	-168.2	172.3	-163.7	0	110.1	D822 Q823 K824	K820-D822 PolarHBondContact O-N 3.24Å; K820-Q823 HydrophobicContact CB-CG 4.3Å; K820-Q823 WeakPolarHBondContact O-CA 3.42Å; K820-Q823 VanDerWaalsContact O-CB 3.31Å; K820-Q823 WeakPolarHBondContact O-CB 3.45Å; K820-Q823 PolarHBondContact O-N 2.65Å; K820-K824 PolarHBondContact O-N 2.77Å; K820-K824 VanDerWaalsContact O-N 3.14Å
821	D	47	Very low	41.3	Very low	109 Å²	109	85 Å²	85	58%	0.583	44%	0.442	S	S	*	.	H	α-helix	trans	-65	-37.7	-174.4	-60.5	-67.6	0	0	0	112.7	Q823 K824 E825	D821-Q823 PolarHBondContact O-N 3.02Å; D821-Q823 VanDerWaalsContact O-N 3.13Å; D821-K824 WeakPolarHBondContact O-CA 3.49Å; D821-K824 WeakPolarHBondContact O-CB 3.32Å; D821-K824 PolarHBondContact O-N 3.22Å; D821-K824 WeakPolarHBondContact OD1-CD 3.36Å; D821-K824 IonicContact OD1-NZ 2.65Å; D821-K824 PolarHBondContact OD1-NZ 2.83Å; D821-K824 IonicContact OD2-NZ 3.98Å; D821-E825 PolarHBondContact O-N 3.13Å
822	D	40	Very low	41	Very low	108 Å²	108	82.6 Å²	82.6	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-55.4	-28	167.8	22.7	-66.3	0	0	0	113.5	K820 A826	K820-D822 PolarHBondContact O-N 3.24Å; D822-A826 WeakPolarHBondContact O-CB 3.33Å; D822-A826 PolarHBondContact O-N 3.22Å; D822-A826 VanDerWaalsContact O-N 3.13Å
823	Q	40.2	Very low	40.9	Very low	102 Å²	102	87.4 Å²	87.4	48%	0.477	46%	0.458	S	S	.	.	H	α-helix	trans	-85.2	-21.7	175.1	-59.4	179.7	-6.6	0	0	113.3	L819 K820 D821 L827	L819-Q823 HydrophobicContact CB-CB 4.34Å; L819-Q823 HydrophobicContact CD2-CB 4.35Å; K820-Q823 HydrophobicContact CB-CG 4.3Å; K820-Q823 WeakPolarHBondContact O-CA 3.42Å; K820-Q823 VanDerWaalsContact O-CB 3.31Å; K820-Q823 WeakPolarHBondContact O-CB 3.45Å; K820-Q823 PolarHBondContact O-N 2.65Å; D821-Q823 PolarHBondContact O-N 3.02Å; D821-Q823 VanDerWaalsContact O-N 3.13Å; Q823-L827 WeakPolarHBondContact O-CB 3.12Å; Q823-L827 PolarHBondContact O-N 2.89Å
824	K	45.1	Very low	40.9	Very low	58 Å²	58	85.1 Å²	85.1	25%	0.252	44%	0.443	S	S	.	.	H	α-helix	trans	-76.7	-49.5	169.8	-60.2	170.8	-164.9	149.5	0	109.4	L819 K820 D821 A826 L827 E828	L819-K824 HydrophobicContact CB-CG 4.04Å; L819-K824 WeakPolarHBondContact O-CE 3.32Å; L819-K824 PolarHBondContact O-NZ 3.29Å; K820-K824 PolarHBondContact O-N 2.77Å; K820-K824 VanDerWaalsContact O-N 3.14Å; D821-K824 WeakPolarHBondContact O-CA 3.49Å; D821-K824 WeakPolarHBondContact O-CB 3.32Å; D821-K824 PolarHBondContact O-N 3.22Å; D821-K824 WeakPolarHBondContact OD1-CD 3.36Å; D821-K824 IonicContact OD1-NZ 2.65Å; D821-K824 PolarHBondContact OD1-NZ 2.83Å; D821-K824 IonicContact OD2-NZ 3.98Å; K824-A826 PolarHBondContact O-N 3.19Å; K824-L827 WeakPolarHBondContact O-CA 3.47Å; K824-L827 WeakPolarHBondContact O-CB 3.49Å; K824-L827 PolarHBondContact O-N 3.21Å; K824-E828 PolarHBondContact O-N 3.28Å
825	E	42	Very low	40.6	Very low	111 Å²	111	81.6 Å²	81.6	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-45.7	178.8	-161.1	-162.9	155.9	0	0	111.3	D821 L827 E828 Q829	D821-E825 PolarHBondContact O-N 3.13Å; E825-L827 PolarHBondContact O-N 2.84Å; E825-E828 PolarHBondContact O-N 3.2Å; E825-E828 VanDerWaalsContact O-N 3.14Å; E825-Q829 HydrophobicContact CG-CG 4.37Å; E825-Q829 WeakPolarHBondContact O-CB 3.35Å; E825-Q829 WeakPolarHBondContact O-CG 3.3Å; E825-Q829 PolarHBondContact O-N 3.39Å; E825-Q829 PolarHBondContact OE1-NE2 3.11Å
826	A	39.6	Very low	40.1	Very low	57 Å²	57	86.2 Å²	86.2	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-30.7	174.7	0	0	0	0	0	113.2	D822 K824 L830	D822-A826 WeakPolarHBondContact O-CB 3.33Å; D822-A826 PolarHBondContact O-N 3.22Å; D822-A826 VanDerWaalsContact O-N 3.13Å; K824-A826 PolarHBondContact O-N 3.19Å; A826-L830 WeakPolarHBondContact O-CB 3.28Å; A826-L830 PolarHBondContact O-N 3.06Å
827	L	45.1	Very low	39.8	Very low	65 Å²	65	88.2 Å²	88.2	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-73.8	-38.3	175.4	-167.1	75.4	0	0	0	111.6	F816 Q823 K824 E825 C831	F816-L827 HydrophobicContact CE1-CD2 3.75Å; F816-L827 HydrophobicContact CZ-CD2 3.71Å; Q823-L827 WeakPolarHBondContact O-CB 3.12Å; Q823-L827 PolarHBondContact O-N 2.89Å; K824-L827 WeakPolarHBondContact O-CA 3.47Å; K824-L827 WeakPolarHBondContact O-CB 3.49Å; K824-L827 PolarHBondContact O-N 3.21Å; E825-L827 PolarHBondContact O-N 2.84Å; L827-C831 WeakPolarHBondContact O-CB 3.4Å; L827-C831 PolarHBondContact O-N 3.45Å
828	E	42	Very low	39.5	Very low	133 Å²	133	83.7 Å²	83.7	62%	0.621	44%	0.437	S	S	*	.	H	α-helix	trans	-73.9	-45.4	178.8	-70.1	-176	172	0	0	112.1	K824 E825 L830 C831 C832	K824-E828 PolarHBondContact O-N 3.28Å; E825-E828 PolarHBondContact O-N 3.2Å; E825-E828 VanDerWaalsContact O-N 3.14Å; E828-L830 VanDerWaalsContact C-N 3.3Å; E828-L830 PolarHBondContact O-N 3.38Å; E828-C831 WeakPolarHBondContact O-CA 3.06Å; E828-C831 VanDerWaalsContact O-CB 3.31Å; E828-C831 WeakPolarHBondContact O-CB 3.22Å; E828-C831 PolarHBondContact O-N 3.41Å; E828-C832 PolarHBondContact O-N 3.01Å; E828-C832 PolarHBondContact O-SG 3Å
829	Q	39	Very low	39	Very low	97 Å²	97	84.8 Å²	84.8	45%	0.453	43%	0.432	S	S	.	.	H	α-helix	trans	-55.5	-45	171.1	-71.2	-172.3	16.1	0	0	111.2	E825 C831 C832 Q833	E825-Q829 HydrophobicContact CG-CG 4.37Å; E825-Q829 WeakPolarHBondContact O-CB 3.35Å; E825-Q829 WeakPolarHBondContact O-CG 3.3Å; E825-Q829 PolarHBondContact O-N 3.39Å; E825-Q829 PolarHBondContact OE1-NE2 3.11Å; Q829-C831 VanDerWaalsContact C-N 3.35Å; Q829-C831 PolarHBondContact O-N 3.42Å; Q829-C832 PolarHBondContact O-N 2.77Å; Q829-Q833 WeakPolarHBondContact O-CG 3.37Å; Q829-Q833 PolarHBondContact O-N 3.16Å
830	L	39.8	Very low	38	Very low	50 Å²	50	86 Å²	86	26%	0.262	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-40	175.3	-173.8	73.4	0	0	0	111.7	L672 A826 E828 C832 Q833 M834	L672-L830 HydrophobicContact CD2-CD1 4.26Å; L672-L830 HydrophobicContact CD2-CD2 3.85Å; L672-L830 HydrophobicContact CG-CD2 4.25Å; A826-L830 WeakPolarHBondContact O-CB 3.28Å; A826-L830 PolarHBondContact O-N 3.06Å; E828-L830 VanDerWaalsContact C-N 3.3Å; E828-L830 PolarHBondContact O-N 3.38Å; L830-C832 VanDerWaalsContact C-N 3.34Å; L830-C832 PolarHBondContact O-N 3.05Å; L830-Q833 PolarHBondContact O-N 2.85Å; L830-M834 HydrophobicContact CD2-CE 4.32Å; L830-M834 HydrophobicContact CG-CE 3.97Å; L830-M834 HydrophobicContact CG-SD 4.2Å; L830-M834 WeakPolarHBondContact O-CB 3.33Å; L830-M834 WeakPolarHBondContact O-CE 3.03Å; L830-M834 VanDerWaalsContact O-CG 3.25Å; L830-M834 WeakPolarHBondContact O-CG 2.88Å; L830-M834 PolarHBondContact O-N 2.72Å
831	C	37.6	Very low	37.3	Very low	35 Å²	35	83.1 Å²	83.1	24%	0.236	44%	0.443	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.8	-159.4	0	0	0	0	111.5	S679 L827 E828 Q829 M834 A835	S679-C831 PolarHBondContact OG-SG 2.89Å; L827-C831 WeakPolarHBondContact O-CB 3.4Å; L827-C831 PolarHBondContact O-N 3.45Å; E828-C831 WeakPolarHBondContact O-CA 3.06Å; E828-C831 VanDerWaalsContact O-CB 3.31Å; E828-C831 WeakPolarHBondContact O-CB 3.22Å; E828-C831 PolarHBondContact O-N 3.41Å; Q829-C831 VanDerWaalsContact C-N 3.35Å; Q829-C831 PolarHBondContact O-N 3.42Å; C831-M834 PolarHBondContact O-N 3.22Å; C831-A835 WeakPolarHBondContact O-CB 3.29Å; C831-A835 PolarHBondContact O-N 3.5Å
832	C	34.6	Very low	36.4	Very low	75 Å²	75	84 Å²	84	51%	0.507	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-47.9	174.9	-69.8	0	0	0	0	112.4	E828 Q829 L830 M834 A835 Q836	E828-C832 PolarHBondContact O-N 3.01Å; E828-C832 PolarHBondContact O-SG 3Å; Q829-C832 PolarHBondContact O-N 2.77Å; L830-C832 VanDerWaalsContact C-N 3.34Å; L830-C832 PolarHBondContact O-N 3.05Å; C832-M834 VanDerWaalsContact C-N 3.3Å; C832-M834 PolarHBondContact O-N 2.8Å; C832-A835 PolarHBondContact O-N 2.79Å; C832-Q836 WeakPolarHBondContact O-CG 3.06Å; C832-Q836 PolarHBondContact O-N 2.67Å
833	Q	38.1	Very low	35.9	Very low	101 Å²	101	82.3 Å²	82.3	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-40.6	176	-72.4	178.7	8.2	0	0	112	Q829 L830 Q836 M837	Q829-Q833 WeakPolarHBondContact O-CG 3.37Å; Q829-Q833 PolarHBondContact O-N 3.16Å; L830-Q833 PolarHBondContact O-N 2.85Å; Q833-Q836 PolarHBondContact O-N 2.85Å; Q833-M837 HydrophobicContact CB-CE 4.49Å; Q833-M837 WeakPolarHBondContact O-CG 3.03Å; Q833-M837 PolarHBondContact O-N 3.17Å
834	M	37	Very low	35.3	Very low	18 Å²	18	80.6 Å²	80.6	9%	0.089	46%	0.462	C	S	.	.	H	α-helix	trans	-70.6	-37.1	177.2	-69	-176.8	-53.3	0	0	112.6	I676 L830 C831 C832 M837 V838	I676-M834 HydrophobicContact CB-CE 4.28Å; I676-M834 HydrophobicContact CB-SD 4.25Å; I676-M834 HydrophobicContact CD1-CE 4.49Å; I676-M834 HydrophobicContact CD1-SD 3.43Å; I676-M834 WeakPolarHBondContact CD1-SD 3.24Å; I676-M834 HydrophobicContact CG1-CE 3.89Å; I676-M834 HydrophobicContact CG1-SD 3.48Å; I676-M834 WeakPolarHBondContact CG1-SD 3.44Å; I676-M834 HydrophobicContact CG2-CE 3.93Å; I676-M834 HydrophobicContact CG2-SD 3.85Å; L830-M834 HydrophobicContact CD2-CE 4.32Å; L830-M834 HydrophobicContact CG-CE 3.97Å; L830-M834 HydrophobicContact CG-SD 4.2Å; L830-M834 WeakPolarHBondContact O-CB 3.33Å; L830-M834 WeakPolarHBondContact O-CE 3.03Å; L830-M834 VanDerWaalsContact O-CG 3.25Å; L830-M834 WeakPolarHBondContact O-CG 2.88Å; L830-M834 PolarHBondContact O-N 2.72Å; C831-M834 PolarHBondContact O-N 3.22Å; C832-M834 VanDerWaalsContact C-N 3.3Å; C832-M834 PolarHBondContact O-N 2.8Å; M834-M837 HydrophobicContact CG-CE 4.09Å; M834-M837 PolarHBondContact O-N 2.91Å; M834-V838 WeakPolarHBondContact O-CB 3.45Å; M834-V838 WeakPolarHBondContact O-CG2 3.24Å; M834-V838 PolarHBondContact O-N 3.26Å
835	A	32	Very low	34.4	Very low	25 Å²	25	87.2 Å²	87.2	21%	0.207	49%	0.491	C	S	.	.	H	α-helix	trans	-60.7	-46.8	172	0	0	0	0	0	110.8	C831 C832 M837 V838 F839	C831-A835 WeakPolarHBondContact O-CB 3.29Å; C831-A835 PolarHBondContact O-N 3.5Å; C832-A835 PolarHBondContact O-N 2.79Å; A835-M837 PolarHBondContact O-N 2.89Å; A835-V838 PolarHBondContact O-N 3.02Å; A835-F839 HydrophobicContact CB-CD2 4.34Å; A835-F839 HydrophobicContact CB-CE2 4.45Å; A835-F839 WeakPolarHBondContact O-CD2 3.25Å; A835-F839 PolarHBondContact O-N 3.28Å
836	Q	33.1	Very low	33.8	Very low	135 Å²	135	87.7 Å²	87.7	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-58.9	-43.6	176.2	-69.8	167.4	-6.9	0	0	112.1	C832 Q833 S840	C832-Q836 WeakPolarHBondContact O-CG 3.06Å; C832-Q836 PolarHBondContact O-N 2.67Å; Q833-Q836 PolarHBondContact O-N 2.85Å; Q836-S840 PolarHBondContact O-N 3.12Å; Q836-S840 PolarHBondContact O-OG 2.79Å
837	M	33	Very low	33.1	Very low	128 Å²	128	90.3 Å²	90.3	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-67.3	-32.5	175.7	-73.7	-173.7	-73.6	0	0	113.9	Q833 M834 A835	Q833-M837 HydrophobicContact CB-CE 4.49Å; Q833-M837 WeakPolarHBondContact O-CG 3.03Å; Q833-M837 PolarHBondContact O-N 3.17Å; M834-M837 HydrophobicContact CG-CE 4.09Å; M834-M837 PolarHBondContact O-N 2.91Å; A835-M837 PolarHBondContact O-N 2.89Å
838	V	33.3	Very low	32.3	Very low	46 Å²	46	93.6 Å²	93.6	28%	0.279	53%	0.532	S	S	.	.	H	α-helix	trans	-85.1	-30.3	-177	171.7	0	0	0	0	112.7	L686 M834 A835	L686-V838 HydrophobicContact CB-CG1 4.44Å; L686-V838 HydrophobicContact CD1-CG1 3.67Å; M834-V838 WeakPolarHBondContact O-CB 3.45Å; M834-V838 WeakPolarHBondContact O-CG2 3.24Å; M834-V838 PolarHBondContact O-N 3.26Å; A835-V838 PolarHBondContact O-N 3.02Å
839	F	29.3	Very low	31.8	Very low	139 Å²	139	91.4 Å²	91.4	61%	0.61	53%	0.528	S	S	*	.	S	Bend	trans	-90.2	3.9	174.1	-65.1	-64.4	0	0	0	114	A835 S841	A835-F839 HydrophobicContact CB-CD2 4.34Å; A835-F839 HydrophobicContact CB-CE2 4.45Å; A835-F839 WeakPolarHBondContact O-CD2 3.25Å; A835-F839 PolarHBondContact O-N 3.28Å; F839-S841 PolarHBondContact O-N 2.98Å; F839-S841 PolarHBondContact O-OG 3.28Å
840	S	26.2	Very low	31.4	Very low	75 Å²	75	94.5 Å²	94.5	52%	0.524	54%	0.542	S	S	.	.			trans	-67.1	78.9	170	-72.8	0	0	0	0	111.4	Q836	Q836-S840 PolarHBondContact O-N 3.12Å; Q836-S840 PolarHBondContact O-OG 2.79Å
841	S	28.9	Very low	31	Very low	79 Å²	79	95.8 Å²	95.8	55%	0.552	56%	0.556	S	S	*	*			trans	-59.5	141.2	179	-64.5	0	0	0	0	110.9	F839 G843 S844	F839-S841 PolarHBondContact O-N 2.98Å; F839-S841 PolarHBondContact O-OG 3.28Å; S841-G843 PolarHBondContact O-N 3.23Å; S841-S844 PolarHBondContact O-N 3.33Å; S841-S844 PolarHBondContact O-OG 2.97Å
842	P	29.2	Very low	30.6	Very low	126 Å²	126	101.6 Å²	101.6	82%	0.818	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	55.9	-172.7	32.5	-37.3	0	0	0	113.5
843	G	28.4	Very low	30.5	Very low	74 Å²	74	101.3 Å²	101.3	76%	0.763	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.5	-26.8	179.2	0	0	0	0	0	114.8	S841 K845	S841-G843 PolarHBondContact O-N 3.23Å; G843-K845 PolarHBondContact O-N 2.72Å
844	S	28.5	Very low	30.1	Very low	66 Å²	66	102.5 Å²	102.5	46%	0.462	58%	0.58	S	S	.	*			trans	-81.8	114.1	-176.7	53.2	0	0	0	0	112.7	S841 T846	S841-S844 PolarHBondContact O-N 3.33Å; S841-S844 PolarHBondContact O-OG 2.97Å; S844-T846 PolarHBondContact O-N 3.05Å; S844-T846 VanDerWaalsContact O-N 3.13Å
845	K	25	Very low	30	Very low	197 Å²	197	106 Å²	106	86%	0.857	61%	0.606	S	S	*	*			trans	-75.3	86.1	161.6	-72.3	-176.4	179.6	179.1	0	109.5	G843 C847	G843-K845 PolarHBondContact O-N 2.72Å; K845-C847 PolarHBondContact O-N 2.9Å; K845-C847 VanDerWaalsContact O-N 3.16Å
846	T	30	Very low	29.9	Very low	121 Å²	121	114.4 Å²	114.4	74%	0.742	63%	0.632	S	S	*	*			trans	-79.4	90.4	166.1	34.2	0	0	0	0	109.4	S844 L848	S844-T846 PolarHBondContact O-N 3.05Å; S844-T846 VanDerWaalsContact O-N 3.13Å; T846-L848 PolarHBondContact O-N 3.07Å
847	C	25.1	Very low	29.8	Very low	111 Å²	111	117.6 Å²	117.6	75%	0.75	64%	0.644	S	S	*	*			trans	-71.3	105.1	176.9	-67.8	0	0	0	0	110.9	K845	K845-C847 PolarHBondContact O-N 2.9Å; K845-C847 VanDerWaalsContact O-N 3.16Å
848	L	28.7	Very low	29.5	Very low	135 Å²	135	118.9 Å²	118.9	71%	0.707	65%	0.65	S	S	*	*			trans	-82.3	131.3	145.5	-69.8	171.7	0	0	0	107.1	T846	T846-L848 PolarHBondContact O-N 3.07Å
849	T	31.9	Very low	29.3	Very low	87 Å²	87	126.5 Å²	126.5	53%	0.534	68%	0.679	S	S	.	*			trans	-66.9	146.9	173.9	50.8	0	0	0	0	110.4	S851 F852	T849-S851 WeakPolarHBondContact CB-OG 3.27Å; T849-S851 PolarHBondContact O-N 2.81Å; T849-S851 VanDerWaalsContact O-N 3.13Å; T849-S851 PolarHBondContact OG1-OG 2.8Å; T849-F852 PolarHBondContact O-N 2.82Å
850	E	29.7	Very low	29.3	Very low	161 Å²	161	128.7 Å²	128.7	75%	0.752	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-30.2	-175.1	-70.1	173.7	119.9	0	0	112.7	F852 L853 D854	E850-F852 PolarHBondContact O-N 2.74Å; E850-L853 PolarHBondContact O-N 3.09Å; E850-D854 PolarHBondContact O-N 3.19Å
851	S	31.2	Very low	29.2	Very low	78 Å²	78	130.7 Å²	130.7	55%	0.545	70%	0.698	S	S	.	*	H	α-helix	trans	-48.7	-30	171.8	53.3	0	0	0	0	115.5	T849 L853 S855	T849-S851 WeakPolarHBondContact CB-OG 3.27Å; T849-S851 PolarHBondContact O-N 2.81Å; T849-S851 VanDerWaalsContact O-N 3.13Å; T849-S851 PolarHBondContact OG1-OG 2.8Å; S851-L853 VanDerWaalsContact C-N 3.32Å; S851-L853 PolarHBondContact O-N 2.84Å; S851-S855 PolarHBondContact O-OG 3.04Å; S851-S855 VanDerWaalsContact O-OG 3.08Å
852	F	30.3	Very low	29.1	Very low	157 Å²	157	133.9 Å²	133.9	69%	0.689	71%	0.707	S	S	*	*	H	α-helix	trans	-83.7	-2.1	180	-116	-78.9	0	0	0	114.6	T849 E850	T849-F852 PolarHBondContact O-N 2.82Å; E850-F852 PolarHBondContact O-N 2.74Å
853	L	31	Very low	29.2	Very low	68 Å²	68	133.4 Å²	133.4	36%	0.356	71%	0.707	S	S	.	*	H	α-helix	trans	-112.8	-36.6	176.2	-68.8	170.6	0	0	0	112.6	E850 S851 S855 R856 R860	E850-L853 PolarHBondContact O-N 3.09Å; S851-L853 VanDerWaalsContact C-N 3.32Å; S851-L853 PolarHBondContact O-N 2.84Å; L853-S855 VanDerWaalsContact C-N 3.32Å; L853-S855 PolarHBondContact O-N 3.22Å; L853-R856 PolarHBondContact O-N 2.92Å; L853-R860 VanDerWaalsContact CD1-NH1 3.33Å
854	D	31.1	Very low	29.1	Very low	127 Å²	127	140 Å²	140	68%	0.679	71%	0.714	S	S	*	*	H	α-helix	trans	-67.3	-32.7	178.3	-71.7	-41.6	0	0	0	112.8	E850 R856 K857	E850-D854 PolarHBondContact O-N 3.19Å; D854-R856 PolarHBondContact O-N 3.47Å; D854-K857 PolarHBondContact O-N 3.34Å; D854-K857 VanDerWaalsContact O-N 3.09Å
855	S	33.3	Very low	29.1	Very low	90 Å²	90	142.6 Å²	142.6	63%	0.629	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-7.4	176.6	50.9	0	0	0	0	115.3	S851 L853	S851-S855 PolarHBondContact O-OG 3.04Å; S851-S855 VanDerWaalsContact O-OG 3.08Å; L853-S855 VanDerWaalsContact C-N 3.32Å; L853-S855 PolarHBondContact O-N 3.22Å
856	R	30.8	Very low	29.1	Very low	202 Å²	202	143.8 Å²	143.8	76%	0.762	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	14.7	175	-68.3	-167.9	174.4	-156.4	-1.7	115.1	L853 D854 M858	L853-R856 PolarHBondContact O-N 2.92Å; D854-R856 PolarHBondContact O-N 3.47Å; R856-M858 WeakPolarHBondContact O-CG 3.4Å; R856-M858 PolarHBondContact O-N 3.44Å
857	K	30.8	Very low	29	Very low	202 Å²	202	147.9 Å²	147.9	88%	0.878	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	52	16.7	175.2	-70.6	-174.1	175.1	178.3	0	116.3	D854 K859	D854-K857 PolarHBondContact O-N 3.34Å; D854-K857 VanDerWaalsContact O-N 3.09Å; K857-K859 PolarHBondContact O-N 3.11Å
858	M	26.5	Very low	28.9	Very low	155 Å²	155	152 Å²	152	76%	0.764	74%	0.739	S	S	*	*			trans	-88.3	90.7	-178.9	-70.4	-167	-176	0	0	111.8	R856 R860	R856-M858 WeakPolarHBondContact O-CG 3.4Å; R856-M858 PolarHBondContact O-N 3.44Å; M858-R860 PolarHBondContact O-N 3.49Å
859	K	29.2	Very low	28.7	Very low	206 Å²	206	154.5 Å²	154.5	90%	0.896	74%	0.744	S	S	*	*			trans	-56	108.8	178.5	-69.6	-172.5	176.3	-176.7	0	112.2	K857 S861	K857-K859 PolarHBondContact O-N 3.11Å; K859-S861 PolarHBondContact O-N 3.16Å
860	R	28.8	Very low	28.5	Very low	185 Å²	185	157.2 Å²	157.2	70%	0.698	75%	0.751	S	S	*	*			trans	-75.3	109.8	172.1	-89.2	-176.7	166.5	-178.1	-2	111.5	L853 M858	L853-R860 VanDerWaalsContact CD1-NH1 3.33Å; M858-R860 PolarHBondContact O-N 3.49Å
861	S	25.1	Very low	28.2	Very low	118 Å²	118	158.3 Å²	158.3	83%	0.825	76%	0.758	S	S	*	*			trans	-97.8	80.9	168.6	43.8	0	0	0	0	111.8	K859	K859-S861 PolarHBondContact O-N 3.16Å
862	I	27.7	Very low	28	Very low	146 Å²	146	160.8 Å²	160.8	75%	0.749	77%	0.766	S	S	*	*			trans	-120.3	89	171.3	-55.4	179.9	0	0	0	109.1	K864	I862-K864 PolarHBondContact O-N 3.1Å
863	S	30.1	Very low	27.9	Very low	115 Å²	115	162 Å²	162	80%	0.804	77%	0.773	S	S	*	*			trans	-83.7	110.9	-178.8	40.5	0	0	0	0	112.9	S865	S863-S865 PolarHBondContact O-N 3.41Å
864	K	26.6	Very low	28	Very low	212 Å²	212	163.2 Å²	163.2	92%	0.922	79%	0.785	S	S	*	*			trans	3.4	102.7	157.4	-60.5	174.8	-177.8	175.3	0	117.3	I862	I862-K864 PolarHBondContact O-N 3.1Å
865	S	28.1	Very low	28	Very low	121 Å²	121	163.2 Å²	163.2	85%	0.846	79%	0.785	S	S	*	*			trans	-149.6	112.3	143.4	50.2	0	0	0	0	111.1	S863	S863-S865 PolarHBondContact O-N 3.41Å
866	R	25.5	Very low	27.7	Very low	223 Å²	223	164.9 Å²	164.9	84%	0.842	79%	0.787	S	S	*	*			trans	-155.4	98.6	177.3	-168.5	-174.6	-166.5	-160.8	6.7	109.5
867	K	26.9	Very low	27.5	Very low	207 Å²	207	163.9 Å²	163.9	90%	0.9	79%	0.791	S	S	*	*			trans	-107.6	140.7	165.9	-84.1	-171	172.1	-175.5	0	109.7
868	R	24	Very low	27.4	Very low	197 Å²	197	158.9 Å²	158.9	74%	0.743	79%	0.787	S	S	*	*			trans	-125.8	124.4	165.9	-92.5	-175.8	167.8	-174.5	-2.8	106.6
869	F	24.6	Very low	27.4	Very low	187 Å²	187	158.3 Å²	158.3	82%	0.82	79%	0.788	S	S	*	*			trans	-151.2	116.4	146.3	-74.3	-68	0	0	0	103.5
870	Q	27	Very low	27.2	Very low	145 Å²	145	157.1 Å²	157.1	68%	0.678	79%	0.785	S	S	*	*				73.7	116.2	71.5	-171.7	168	-19.9	0	0	110.1	D872	Q870-D872 PolarHBondContact NE2-OD2 2.75Å
871	M	23.7	Very low	27.2	Very low	183 Å²	183	152.5 Å²	152.5	90%	0.901	79%	0.786	S	S	*	*			trans	-116	107.4	173.7	-65.4	-140.1	-48.7	0	0	107.9
872	D	26.6	Very low	27.1	Very low	130 Å²	130	151.3 Å²	151.3	70%	0.695	78%	0.784	S	S	*	*			trans	-92.9	154.6	162.9	-62.9	-61.6	0	0	0	108.3	Q870	Q870-D872 PolarHBondContact NE2-OD2 2.75Å
873	Q	27.8	Very low	27	Very low	182 Å²	182	152 Å²	152	85%	0.85	79%	0.788	S	S	*	*			trans	-122.7	176.5	-171.3	-121.6	-167	-47.2	0	0	110.1
874	P	35	Very low	26.7	Very low	94 Å²	94	153.9 Å²	153.9	61%	0.61	79%	0.788	S	S	*	*				-113.7	-160.6	-125.4	26.9	-4.2	0	0	0	113.9
875	N	29.8	Very low	26.6	Very low	127 Å²	127	151.5 Å²	151.5	68%	0.679	78%	0.784	S	S	*	*			trans	83.7	147.1	167.9	-59	47.7	0	0	0	114.9
876	D	26.4	Very low	26.5	Very low	126 Å²	126	153 Å²	153	67%	0.674	78%	0.778	S	S	*	*			cis	-163.5	-170.8	-13.1	-105	-16.1	0	0	0	110.6
877	E	26.7	Very low	26.5	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	78%	0.776	S	S	*	*			trans	77.5	100.9	154.3	-77.5	159.9	-150.3	0	0	121.3
878	A	28.7	Very low	26.5	Very low	96 Å²	96	143.3 Å²	143.3	79%	0.793	76%	0.763	S	S	*	*				-170.7	114.9	125.3	0	0	0	0	0	107.2
879	D	27.6	Very low	26.4	Very low	144 Å²	144	141.7 Å²	141.7	77%	0.77	77%	0.769	S	S	*	*				60.5	130.3	61.8	-73	1	0	0	0	114.6
880	E	25	Very low	26.7	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	76%	0.763	S	S	*	*			cis	-156.1	-130.6	-18.5	-154.8	-158.5	-155.9	0	0	110.1
881	A	28	Very low	26.6	Very low	87 Å²	87	138.8 Å²	138.8	72%	0.719	77%	0.771	S	S	*	*			trans	-44.5	148.1	-173	0	0	0	0	0	118.1
882	A	23.3	Very low	26.6	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	76%	0.762	S	S	*	*			trans	-84.5	147.1	176.6	0	0	0	0	0	113.7
883	I	26	Very low	26.6	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	77%	0.773	S	S	*	*			trans	-162.3	132.1	145.1	-106.4	153.9	0	0	0	112.1
884	L	24	Very low	26.4	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	76%	0.764	S	S	*	*			trans	32.7	115.1	157.5	-60.8	169.4	0	0	0	122.1
885	L	24.7	Very low	26	Very low	162 Å²	162	138.8 Å²	138.8	85%	0.848	78%	0.777	S	S	*	*				160.8	115.4	125.8	-85.9	168.6	0	0	0	108.1
886	E	24.8	Very low	26.1	Very low	152 Å²	152	138 Å²	138	71%	0.71	78%	0.781	S	S	*	*			cis	-146.7	154.5	-10.5	-69.5	-174.6	107.5	0	0	109.3
887	P	26.2	Very low	26.1	Very low	126 Å²	126	140 Å²	140	82%	0.818	79%	0.786	S	S	*	*			trans	-118.9	85.3	161.1	36.1	-23.6	0	0	0	112
888	T	26.9	Very low	26.3	Very low	101 Å²	101	139.1 Å²	139.1	62%	0.62	78%	0.782	S	S	*	*			trans	-134.2	89.3	-176.6	-51.9	0	0	0	0	114.2
889	L	22.5	Very low	26.2	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	78%	0.781	S	S	*	*			trans	52	157.3	139.9	-70.6	168.3	0	0	0	122.2
890	P	29.9	Very low	26.4	Very low	107 Å²	107	140 Å²	140	70%	0.695	78%	0.779	S	S	*	*			trans	-100.8	154.4	-166.9	38.3	-34.9	0	0	0	114.8
891	L	26	Very low	26.5	Very low	163 Å²	163	140 Å²	140	85%	0.853	78%	0.784	S	S	*	*			trans	-141.4	117.5	155.3	-99.5	124.6	0	0	0	113.2
892	K	23.2	Very low	26.7	Very low	164 Å²	164	140 Å²	140	71%	0.713	78%	0.784	S	S	*	*			trans	13.5	126.1	139.8	-58.2	172.7	-180	174.4	0	117.9
893	L	25.9	Very low	27.1	Very low	178 Å²	178	144.7 Å²	144.7	93%	0.932	79%	0.79	S	S	*	*				-114.5	124.7	118.7	-90.4	168.3	0	0	0	108.6
894	N	23.3	Very low	27	Very low	124 Å²	124	144.4 Å²	144.4	66%	0.663	79%	0.789	S	S	*	*			trans	-89.2	171.7	166.2	-81.8	4.9	0	0	0	109
895	S	28.3	Very low	27.4	Very low	124 Å²	124	145 Å²	145	87%	0.867	79%	0.785	S	S	*	*			trans	71	145.8	-174.6	78	0	0	0	0	114.2
896	S	30.9	Very low	27.8	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	77%	0.772	S	S	*	*			cis	-111.6	153.4	5.1	59.4	0	0	0	0	114.4
897	E	26.3	Very low	28	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	75%	0.746	S	S	*	*			trans	-58.6	136.7	159.5	-59.9	142.5	124.5	0	0	110.7
898	H	30.2	Very low	28.2	Very low	163 Å²	163	137.7 Å²	137.7	76%	0.755	74%	0.744	S	S	*	*				-179.1	128.3	114.2	-108.4	-68.7	0	0	0	114.5
899	N	28.3	Very low	28.2	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	74%	0.738	S	S	*	*			trans	54.5	153.8	150	-77	-12	0	0	0	122.6
900	P	31.5	Very low	28.4	Very low	112 Å²	112	133.8 Å²	133.8	73%	0.727	73%	0.731	S	S	*	*			trans	-124	153.8	-158.5	39.4	-23.6	0	0	0	115.6
901	L	27	Very low	28.2	Very low	180 Å²	180	134.9 Å²	134.9	94%	0.942	73%	0.73	S	S	*	*			trans	-159.4	158.7	155.7	-108.3	143.9	0	0	0	109.6
902	A	31.8	Very low	28.2	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	72%	0.723	S	S	*	*	S	Bend	trans	70.5	91.4	-179.6	0	0	0	0	0	118.4
903	E	31.1	Very low	28	Very low	194 Å²	194	132.7 Å²	132.7	91%	0.907	73%	0.727	S	S	*	*				66.2	90.9	128.2	-66.1	173.5	-173.5	0	0	121.4
904	L	24.9	Very low	27.9	Very low	155 Å²	155	136 Å²	136	81%	0.812	73%	0.727	S	S	*	*			trans	-73.2	170.6	134.1	-64.6	100.5	0	0	0	109.7
905	K	31.3	Very low	27.9	Very low	165 Å²	165	137.3 Å²	137.3	72%	0.717	73%	0.733	S	S	*	*			cis	-172	159.1	31.1	-145.7	169.8	-177.4	176.7	0	112.9
906	D	33.7	Very low	27.7	Very low	105 Å²	105	141.7 Å²	141.7	56%	0.561	74%	0.736	S	S	*	*			trans	52	142	159.7	-55.1	-36.2	0	0	0	120.3	K637	K637-D906 WeakPolarHBondContact CB-O 3.37Å; K637-D906 HydrophobicContact CD-CB 4.47Å; K637-D906 WeakPolarHBondContact CD-O 3.38Å
907	G	29.1	Very low	27.3	Very low	17 Å²	17	143.2 Å²	143.2	18%	0.175	74%	0.735	C	S	.	*			cis	135.1	128.5	3.1	0	0	0	0	0	114.5	K637	K637-G907 WeakPolarHBondContact CD-O 3.22Å; K637-G907 WeakPolarHBondContact CE-O 3.43Å; K637-G907 PolarHBondContact NZ-O 3.23Å
908	H	29.5	Very low	27.1	Very low	164 Å²	164	146.6 Å²	146.6	76%	0.759	74%	0.74	S	S	*	*			trans	69.1	144.1	172.6	-52.1	-102.6	0	0	0	118.1	S636	S636-H908 WeakPolarHBondContact CB-O 3.36Å; S636-H908 PolarHBondContact OG-N 2.8Å; S636-H908 VanDerWaalsContact OG-N 3.09Å
909	G	27.9	Very low	27.3	Very low	48 Å²	48	146.8 Å²	146.8	50%	0.495	75%	0.746	S	S	.	*			cis	173.3	153.3	-10.5	0	0	0	0	0	115.1
910	L	26.3	Very low	27.2	Very low	136 Å²	136	144.4 Å²	144.4	71%	0.712	74%	0.739	S	S	*	*			trans	61.2	138.4	162.1	-72.1	169.5	0	0	0	124
911	N	26.7	Very low	26.9	Very low	129 Å²	129	147.9 Å²	147.9	69%	0.69	74%	0.743	S	S	*	*			trans	54.6	114.7	152.4	-62.5	-16.7	0	0	0	122.3
912	H	24.7	Very low	26.8	Very low	151 Å²	151	146.1 Å²	146.1	70%	0.699	73%	0.733	S	S	*	*			trans	-138.3	121.7	163.5	-96.1	21.4	0	0	0	113.4	L634	L634-H912 HydrophobicContact CD1-CB 4.1Å
913	V	20.6	Very low	26.8	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	72%	0.717	S	S	*	*			trans	-137.1	96.4	161	-179.9	0	0	0	0	110.1	L631	L631-V913 HydrophobicContact CD1-CG2 4.38Å
914	R	22.7	Very low	26.8	Very low	246 Å²	246	140.1 Å²	140.1	93%	0.928	70%	0.704	S	S	*	*			trans	-172.2	147.4	145.2	-108.4	164.5	-178.8	179.7	0.7	111.1
915	L	23.3	Very low	26.9	Very low	153 Å²	153	138 Å²	138	80%	0.801	69%	0.691	S	S	*	*			trans	-78.1	149	177	-76.1	78.2	0	0	0	111.4
916	K	23.8	Very low	26.6	Very low	215 Å²	215	133.3 Å²	133.3	94%	0.935	68%	0.683	S	S	*	*			trans	-141.2	142.6	149.5	-119.7	175	-178.3	176.7	0	109.1
917	I	23.4	Very low	26.2	Very low	144 Å²	144	134.2 Å²	134.2	74%	0.738	69%	0.687	S	S	*	*			trans	-125.4	125.3	178.3	-61	172.8	0	0	0	108
918	R	21.3	Very low	25.9	Very low	237 Å²	237	138.3 Å²	138.3	89%	0.894	71%	0.709	S	S	*	*			trans	176	129.3	134.8	-100.8	168.1	-173.8	171.8	4.2	113
919	L	34.5	Very low	25.7	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	71%	0.708	S	S	*	*			trans	-61.3	157.2	151.6	-66.3	152.5	0	0	0	109.8
920	P	26.5	Very low	25.6	Very low	97 Å²	97	139.4 Å²	139.4	63%	0.63	72%	0.722	S	S	*	*				-158.7	169.2	103.6	39.7	-20.6	0	0	0	118.9
921	F	25.6	Very low	25.6	Very low	185 Å²	185	138.7 Å²	138.7	81%	0.811	72%	0.724	S	S	*	*			trans	73.2	131.5	161.8	-51.2	-57.7	0	0	0	118.5
922	L	23.6	Very low	26.1	Very low	143 Å²	143	136.7 Å²	136.7	75%	0.749	72%	0.718	S	S	*	*			cis	72.2	145.1	26.6	-68.3	171.9	0	0	0	116.1
923	P	33.6	Very low	26.1	Very low	58 Å²	58	135.7 Å²	135.7	38%	0.377	72%	0.722	S	S	.	*			cis	-97.1	-109.4	18.3	23.6	-3.4	0	0	0	115.6
924	P	30.6	Very low	26.3	Very low	97 Å²	97	135.6 Å²	135.6	63%	0.63	72%	0.717	S	S	*	*			cis	-115.6	-133.9	13.2	44.6	-30.8	0	0	0	114.4	S612 S613 C614	S612-P924 CarbonylContact O-C 3.53Å; S613-P924 CarbonylContact C-O 3.51Å; C614-P924 VanDerWaalsContact CA-O 3.26Å; C614-P924 WeakPolarHBondContact CA-O 3.49Å; C614-P924 PolarHBondContact N-O 2.9Å
925	M	25.5	Very low	26.7	Very low	109 Å²	109	128.5 Å²	128.5	54%	0.537	71%	0.711	S	S	.	*			trans	-126.3	168.2	-174.4	-126.5	-179.2	-159.8	0	0	109.6	S612 S613	S612-M925 WeakPolarHBondContact O-CB 3.45Å; S612-M925 WeakPolarHBondContact O-CG 3.34Å; S613-M925 WeakPolarHBondContact O-CA 3.36Å; S613-M925 WeakPolarHBondContact O-CG 3.47Å
926	A	26.6	Very low	26.8	Very low	68 Å²	68	130.2 Å²	130.2	56%	0.562	72%	0.715	S	S	*	*			cis	-152.4	159.3	3.8	0	0	0	0	0	113.3
927	L	24.4	Very low	27	Very low	123 Å²	123	129.4 Å²	129.4	64%	0.644	72%	0.715	S	S	*	*				10.8	149.8	128	-62.1	166.4	0	0	0	120
928	T	23.6	Very low	27	Very low	103 Å²	103	128.7 Å²	128.7	63%	0.632	72%	0.717	S	S	*	*			cis	177.4	164.8	-27.2	19.8	0	0	0	0	108.5
929	S	24.3	Very low	27.2	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	71%	0.713	S	S	*	*			trans	67	166.1	153.2	55.2	0	0	0	0	116.6
930	V	25.7	Very low	26.6	Very low	131 Å²	131	126.3 Å²	126.3	79%	0.794	71%	0.714	S	S	*	*			cis	-139	160.5	15.6	-147.2	0	0	0	0	112.8
931	T	27.6	Very low	26.3	Very low	121 Å²	121	131 Å²	131	74%	0.742	72%	0.72	S	S	*	*			trans	-82.4	-155	153.5	55	0	0	0	0	109
932	P	35.4	Very low	26.2	Very low	87 Å²	87	132 Å²	132	57%	0.565	73%	0.725	S	S	*	*			cis	-114.4	-162.7	-24.1	37.1	-16.2	0	0	0	110.5
933	T	26.1	Very low	26.4	Very low	129 Å²	129	133.1 Å²	133.1	79%	0.791	73%	0.726	S	S	*	*				-159.9	-166.3	70	47.1	0	0	0	0	112.3
934	D	25.3	Very low	26.1	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	74%	0.743	S	S	*	*				-165.8	-20.6	-75.8	-81.7	-28.3	0	0	0	114.2	E936	D934-E936 PolarHBondContact O-N 2.78Å
935	A	30.2	Very low	25.7	Very low	97 Å²	97	137.8 Å²	137.8	80%	0.802	75%	0.745	S	S	*	*			trans	-62.4	121	-177.4	0	0	0	0	0	113.2
936	E	25.3	Very low	25.6	Very low	189 Å²	189	138.8 Å²	138.8	88%	0.883	75%	0.751	S	S	*	*				86.7	103	65.1	-80.7	-166.9	170	0	0	114.4	D934	D934-E936 PolarHBondContact O-N 2.78Å
937	E	28.6	Very low	25.6	Very low	199 Å²	199	141.6 Å²	141.6	93%	0.93	76%	0.756	S	S	*	*			trans	-158.4	175.3	138.4	-133.4	177	-149.7	0	0	111.8
938	T	22.8	Very low	25.7	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	77%	0.765	S	S	*	*			trans	-114.5	164.4	-157.5	-58.5	0	0	0	0	113.9
939	F	24.5	Very low	26.1	Very low	184 Å²	184	145.3 Å²	145.3	81%	0.807	78%	0.776	S	S	*	*			trans	-61.7	144.1	-174.4	-64.6	-99.3	0	0	0	115.5
940	L	22.4	Very low	26.2	Very low	170 Å²	170	146.1 Å²	146.1	89%	0.89	78%	0.777	S	S	*	*			trans	-127.4	139.1	147.2	-89.1	170.1	0	0	0	109.3
941	Y	21	Very low	26.3	Very low	194 Å²	194	146 Å²	146	76%	0.761	78%	0.776	S	S	*	*			trans	-87.1	153.3	171.9	-87.1	-111.7	0	0	0	110.5
942	F	22.2	Very low	26.1	Very low	208 Å²	208	144.8 Å²	144.8	91%	0.912	77%	0.773	S	S	*	*			trans	-131.9	105	150.6	-105	-83.6	0	0	0	108.3
943	E	29.4	Very low	25.6	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	78%	0.777	S	S	*	*			trans	-129.8	84.2	167.3	-175.5	173.9	-129	0	0	108.3
944	E	25.6	Very low	25.5	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.743	78%	0.777	S	S	*	*			trans	-130.8	127.2	148.9	-76.6	-161.3	104.2	0	0	107.1
945	S	22.9	Very low	25.5	Very low	95 Å²	95	150.2 Å²	150.2	66%	0.664	78%	0.781	S	S	*	*			cis	85	163.4	46.3	-64.5	0	0	0	0	112.7
946	I	24.5	Very low	25.3	Very low	129 Å²	129	151 Å²	151	66%	0.662	78%	0.776	S	S	*	*			trans	71.5	89.2	165.9	-64.9	168.7	0	0	0	115.5
947	L	25.4	Very low	25.6	Very low	128 Å²	128	144.5 Å²	144.5	67%	0.67	75%	0.751	S	S	*	*				64.8	131.8	125.6	-71.9	145	0	0	0	122
948	R	25.8	Very low	25.6	Very low	219 Å²	219	140 Å²	140	83%	0.826	73%	0.733	S	S	*	*			trans	63.7	92.4	142.2	-65.1	172	-178	166.3	3.4	118.6
949	G	33.3	Very low	26.1	Very low	85 Å²	85	135.2 Å²	135.2	88%	0.876	71%	0.705	S	S	*	*			trans	-121.9	23	158.1	0	0	0	0	0	114
950	T	25.5	Very low	26.3	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	69%	0.685	S	S	*	*			trans	-83.6	121.4	-171.5	46.8	0	0	0	0	114.1
951	T	28.5	Very low	26.7	Very low	127 Å²	127	126.8 Å²	126.8	78%	0.779	67%	0.666	S	S	*	*			trans	-161.9	109.1	152.8	16.7	0	0	0	0	107.4
952	S	24	Very low	27.5	Very low	97 Å²	97	121.5 Å²	121.5	68%	0.678	66%	0.658	S	S	*	*				80.7	158.4	88.2	76	0	0	0	0	112
953	V	24.6	Very low	28.2	Very low	105 Å²	105	116 Å²	116	64%	0.636	64%	0.635	S	S	*	*			cis	-136	156.4	10	-172.1	0	0	0	0	105.9	W955	V953-W955 HydrophobicContact CG1-CB 4.44Å; V953-W955 HydrophobicContact CG1-CG 4.26Å
954	L	24.6	Very low	28.5	Very low	152 Å²	152	115.9 Å²	115.9	80%	0.796	64%	0.635	S	S	*	*			cis	-107.6	167.7	13.6	-73.8	71.4	0	0	0	112.5
955	W	23.6	Very low	28.9	Very low	202 Å²	202	116 Å²	116	77%	0.765	64%	0.639	S	S	*	*			cis	96.7	143.5	14.1	-76.3	66.3	0	0	0	119.1	V953	V953-W955 HydrophobicContact CG1-CB 4.44Å; V953-W955 HydrophobicContact CG1-CG 4.26Å
956	T	27.6	Very low	29.7	Very low	114 Å²	114	116.3 Å²	116.3	70%	0.699	63%	0.631	S	S	*	*			trans	74.1	122.2	-173.6	69.1	0	0	0	0	115.7
957	S	30.4	Very low	30.3	Very low	52 Å²	52	115.7 Å²	115.7	36%	0.364	63%	0.629	S	S	.	*			cis	-173.1	156.3	-10	34.1	0	0	0	0	107.3	F115 I116	F115-S957 CarbonylContact O-C 3.11Å; F115-S957 VanDerWaalsContact O-C 3.29Å; I116-S957 WeakPolarHBondContact CG2-O 3.05Å
958	N	29.7	Very low	30.6	Very low	105 Å²	105	114.6 Å²	114.6	56%	0.561	63%	0.63	S	S	*	*			cis	-158.9	-100.8	-7.7	-92.6	-5.2	0	0	0	112.3	F115 S117	F115-N958 PolarHBondContact O-N 3.17Å; S117-N958 WeakPolarHBondContact OG-CB 3.22Å
959	S	32.7	Very low	30.9	Very low	28 Å²	28	112.5 Å²	112.5	20%	0.196	63%	0.627	C	S	.	*			trans	-86.7	-175.5	-176.7	72.5	0	0	0	0	113.6	S117	S117-S959 WeakPolarHBondContact CB-OG 3.12Å; S117-S959 WeakPolarHBondContact OG-CB 3.44Å; S117-S959 PolarHBondContact OG-N 3.01Å; S117-S959 PolarHBondContact OG-OG 3.11Å
960	M	28.9	Very low	31	Very low	77 Å²	77	116.6 Å²	116.6	38%	0.379	62%	0.624	S	S	.	*			cis	-156.1	152.3	15.1	-147.4	110.6	-163.8	0	0	111	N127 N128	N127-M960 VanDerWaalsContact OD1-CE 3.3Å; N127-M960 WeakPolarHBondContact OD1-CE 3.46Å; N128-M960 WeakPolarHBondContact O-CE 3.05Å; N128-M960 VanDerWaalsContact O-CG 3.32Å; N128-M960 WeakPolarHBondContact O-CG 3.25Å
961	I	29.9	Very low	31.4	Very low	99 Å²	99	115 Å²	115	51%	0.508	62%	0.617	S	S	.	*			trans	-153.7	166.4	166.9	-27.9	174.1	0	0	0	109.2	N127 N128 G129 V130	N127-I961 CarbonylContact C-O 3.53Å; N128-I961 CarbonylContact C-O 3.11Å; N128-I961 VanDerWaalsContact C-O 3.23Å; N128-I961 WeakPolarHBondContact CA-O 3.36Å; N128-I961 PolarHBondContact N-O 2.64Å; G129-I961 PolarHBondContact N-O 2.79Å; V130-I961 HydrophobicContact CG2-CG1 4.34Å
962	S	37.5	Very low	31.9	Very low	83 Å²	83	115.8 Å²	115.8	58%	0.58	61%	0.614	S	S	*	*			trans	-65.6	161.9	-175.8	-164.1	0	0	0	0	115.5
963	Q	37	Very low	32.5	Very low	94 Å²	94	120 Å²	120	44%	0.439	63%	0.627	S	S	.	*	S	Bend	trans	-104.1	55	-171.6	-170	175.1	-20	0	0	112.9	N127 N128 Q966	N127-Q963 PolarHBondContact ND2-OE1 3.15Å; N128-Q963 HydrophobicContact CB-CB 4Å; N128-Q963 HydrophobicContact CB-CG 4.37Å; Q963-Q966 HydrophobicContact CG-CB 4.48Å
964	E	36.9	Very low	32.8	Very low	162 Å²	162	117 Å²	117	76%	0.757	62%	0.619	S	S	*	*	S	Bend	trans	-116.3	-26	176.3	-68.6	-177.7	142.4	0	0	113.3	Q966	E964-Q966 VanDerWaalsContact C-N 3.32Å
965	L	34.6	Very low	33.2	Very low	161 Å²	161	117.4 Å²	117.4	84%	0.843	62%	0.62	S	S	*	*	S	Bend	trans	-87	0.2	175.4	-95.9	159.2	0	0	0	114
966	Q	39.9	Very low	33.4	Very low	102 Å²	102	113.6 Å²	113.6	48%	0.477	63%	0.632	S	S	.	*	S	Bend	trans	-71.2	-36.7	173.6	-161.5	85.2	-6.8	0	0	111	Q963 E964 C968 K969	Q963-Q966 HydrophobicContact CG-CB 4.48Å; E964-Q966 VanDerWaalsContact C-N 3.32Å; Q966-C968 PolarHBondContact O-N 2.8Å; Q966-K969 VanDerWaalsContact O-CB 3.28Å; Q966-K969 WeakPolarHBondContact O-CB 3.36Å; Q966-K969 PolarHBondContact O-N 2.97Å
967	D	36.5	Very low	33.4	Very low	116 Å²	116	110 Å²	110	62%	0.62	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-78.8	-21.7	-165.4	-64.3	4.2	0	0	0	113.2	K969 E970	D967-K969 PolarHBondContact O-N 3.2Å; D967-E970 PolarHBondContact O-N 3.43Å
968	C	30.9	Very low	33.3	Very low	104 Å²	104	117.1 Å²	117.1	70%	0.703	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-79.7	-0.3	173.8	-153.5	0	0	0	0	113.2	Q966	Q966-C968 PolarHBondContact O-N 2.8Å
969	K	31.5	Very low	33.2	Very low	175 Å²	175	118 Å²	118	76%	0.761	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-86.6	-16.6	172.9	-166.6	176	175.8	-176.6	0	113	Q966 D967	Q966-K969 VanDerWaalsContact O-CB 3.28Å; Q966-K969 WeakPolarHBondContact O-CB 3.36Å; Q966-K969 PolarHBondContact O-N 2.97Å; D967-K969 PolarHBondContact O-N 3.2Å
970	E	36.5	Very low	33	Very low	172 Å²	172	124.4 Å²	124.4	80%	0.804	69%	0.685	S	S	*	*	S	Bend	trans	-108.3	1.3	-177.2	-59.7	-163.5	157.3	0	0	113.6	D967 M972	D967-E970 PolarHBondContact O-N 3.43Å; E970-M972 VanDerWaalsContact C-N 3.27Å; E970-M972 PolarHBondContact O-N 3.32Å
971	S	32.7	Very low	32.9	Very low	87 Å²	87	128.6 Å²	128.6	61%	0.608	70%	0.703	S	S	*	*	S	Bend	trans	-66.1	93	151	-88.2	0	0	0	0	109.8
972	M	39.4	Very low	32.6	Very low	145 Å²	145	134 Å²	134	71%	0.714	72%	0.719	S	S	*	*				46.2	95.3	109.3	-60.5	-73.6	-86.2	0	0	112.5	E970 G974	E970-M972 VanDerWaalsContact C-N 3.27Å; E970-M972 PolarHBondContact O-N 3.32Å; M972-G974 PolarHBondContact O-N 3.05Å
973	L	36.7	Very low	32.4	Very low	184 Å²	184	135.3 Å²	135.3	96%	0.963	73%	0.728	S	S	*	*			cis	53.4	17.6	36	-97.3	167.7	0	0	0	113.2
974	G	30.9	Very low	32	Very low	44 Å²	44	134.6 Å²	134.6	45%	0.454	75%	0.746	S	S	.	*			trans	-136.2	122.1	162.5	0	0	0	0	0	109.2	M972	M972-G974 PolarHBondContact O-N 3.05Å
975	L	33	Very low	31.9	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	75%	0.747	S	S	*	*			cis	-136.7	136.7	-6.3	-68.5	86.3	0	0	0	110.5	G977	L975-G977 PolarHBondContact O-N 3.13Å; L975-G977 VanDerWaalsContact O-N 3.1Å
976	A	28.9	Very low	31.7	Very low	123 Å²	123	133 Å²	133	100%	1.017	74%	0.743	S	S	*	*			trans	-75.1	85.6	149	0	0	0	0	0	107.3
977	G	27.7	Very low	31.4	Very low	39 Å²	39	136.3 Å²	136.3	40%	0.402	76%	0.758	S	S	.	*			trans	-166	56.6	-162	0	0	0	0	0	116.4	L975	L975-G977 PolarHBondContact O-N 3.13Å; L975-G977 VanDerWaalsContact O-N 3.1Å
978	H	28.4	Very low	31.4	Very low	200 Å²	200	139.6 Å²	139.6	93%	0.926	77%	0.77	S	S	*	*				-173.9	150.9	118.9	-97.2	-63.9	0	0	0	112.2
979	T	26.6	Very low	31.6	Very low	125 Å²	125	138.9 Å²	138.9	77%	0.767	77%	0.772	S	S	*	*			trans	-90.2	158.3	168.4	-36.5	0	0	0	0	109.3
980	I	27.7	Very low	31.9	Very low	161 Å²	161	139.1 Å²	139.1	83%	0.826	78%	0.776	S	S	*	*	S	Bend	trans	85.8	149.7	174.1	-50.6	169	0	0	0	114.1
981	H	27.8	Very low	31.7	Very low	166 Å²	166	139.8 Å²	139.8	77%	0.769	78%	0.778	S	S	*	*			trans	-90.5	150.6	-161.4	-64.2	-118.7	0	0	0	114.9
982	Y	24.1	Very low	32	Very low	212 Å²	212	139.5 Å²	139.5	83%	0.831	78%	0.782	S	S	*	*				178.3	134	96.7	-108.6	-83.4	0	0	0	115.6
983	S	31.9	Very low	31.7	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	78%	0.782	S	S	*	*			trans	36.1	126.5	150.9	58.7	0	0	0	0	124.1
984	G	29.3	Very low	31.5	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	77%	0.77	S	S	*	*			trans	-177.3	135.5	154.3	0	0	0	0	0	113.3
985	T	34.1	Very low	31.4	Very low	126 Å²	126	141 Å²	141	77%	0.773	78%	0.778	S	S	*	*			trans	-118.9	-176.4	171.3	53	0	0	0	0	108.7
986	E	31.6	Very low	31.6	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	78%	0.779	S	S	*	*			cis	-160.7	177.8	13.4	-144.4	140.3	162.4	0	0	109.6
987	E	34.3	Very low	32.2	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	79%	0.792	S	S	*	*			trans	63	133.7	173.7	-62.3	178.4	140.6	0	0	115.6
988	Q	35.8	Very low	32.4	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	81%	0.811	S	S	*	*				64.1	60.4	55.6	-64.5	-161.6	-32.5	0	0	114.6
989	A	35.3	Very low	32.6	Very low	90 Å²	90	151.4 Å²	151.4	74%	0.744	81%	0.805	S	S	*	*			trans	-135.7	109.4	148.6	0	0	0	0	0	106.6
990	E	36.5	Very low	33	Very low	180 Å²	180	152.8 Å²	152.8	84%	0.841	81%	0.807	S	S	*	*				91.6	133.5	61.9	-81.1	-173.4	146.4	0	0	111.9
991	E	32.5	Very low	33.3	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	81%	0.806	S	S	*	*			trans	56.6	126.7	173.7	-56.8	-170.1	146.9	0	0	117.3
992	A	39.4	Very low	33.6	Very low	82 Å²	82	151.5 Å²	151.5	68%	0.678	81%	0.809	S	S	*	*			cis	-140.3	149.2	0.5	0	0	0	0	0	108.8
993	E	32.8	Very low	34.2	Very low	153 Å²	153	147.5 Å²	147.5	72%	0.715	81%	0.807	S	S	*	*			cis	60.7	171.3	32.2	-139.6	-157.7	167.5	0	0	113.2
994	F	34	Very low	34.4	Very low	162 Å²	162	150.1 Å²	150.1	71%	0.711	81%	0.809	S	S	*	*			trans	59.3	125.9	174.1	-83.6	-106.9	0	0	0	118
995	S	27.2	Very low	34.8	Very low	89 Å²	89	155.5 Å²	155.5	62%	0.622	81%	0.809	S	S	*	*			cis	-171.7	-173.7	-5.8	-149	0	0	0	0	111.6
996	R	37.6	Very low	34.9	Very low	225 Å²	225	158 Å²	158	85%	0.849	81%	0.812	S	S	*	*			trans	82.9	122.1	170.3	-53.7	-178.3	179.5	164.7	2	114.7
997	T	41.6	Very low	35.2	Very low	211 Å²	211	157.6 Å²	157.6	100%	1.294	82%	0.817	S	S	*	*			cis	-153.5	0	0.7	3.5	0	0	0	0	110.8

Retrieved 997 of 997 residues in 2124.3 ms (Link to these results)

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