A0A087WVB5_HUMAN Loading...

Activator of transcription and developmental regulator AUTS2

AlphaFold DB , UniProt , Accession A0A087WVB5, Species HUMAN (Homo sapiens, Human), Gene AUTS2, Length 987 aa.

						>A0A087WVB5_HUMAN|A0A087WVB5|AUTS2
PELGVGTLPEHDSQDAGPIVPKISGLERSQEKSQDCCKEPIFEPVVLKDPCPQVAQPIPQPQTEPQLRAPSPDPDLVQRTEAPPQPPPLSTQPPQGPPEAQLQPAPQPQVQRPPRPQSPTQLLHQNLPPVQAHPSAQSLSQPLSAYNSSSLSLNSLSSSRSSTPAKTQPAPPHISHHPSASPFPLSLPNHSPLHSFTPTLQPPAHSHHPNMFAPPTALPPPPPLTSGSLQVAGHPAGSTYSEQDILRQELNTRFLASQSADRGASLGPPPYLRTEFHQHQHQHQHTHQHTHQHTFTPFPHAIPPTAIMPTPAPPMFDKYPTKVDPFYRHSLFHSYPPAVSGIPPMIPPTGPFGSLQGAFQPKLTDPFRPMLRKPGKWCAMHVHIAWQIYHHQQKVKKQMQSDPHKLDFGLKPEFLSRPPGPSLFGAIHHPHDLARPSTLFSAAGAAHPTGTPFGPPPHHSNFLNPAAHLEPFNRPSTFTGLAAVGGNAFGGLGNPSVTPNSMFGHKDGPSVQNFSNPHEPWNRLHRTPPSFPTPPPWLKPGELERSASAAAHDRDRDVDKRDSSVSKDDKERESVEKRHSSHPSPAPVLPVNALGHTRSSTEQIRAHLNTEAREKDKPKERERDHSESRKDLAADEHKAKEGHLPEKDGHGHEGRAAGEEAKQLARVPSPYVRTPVVESARPNSTSSREAEPRKGEPAYENPKKSSEVKVKEERKEDHDLPPEAPQTHRASEPPPPNSSSSVHPGPLASMPMTVGVTGIHPMNSISSLDRTRMMTPFMGISPLPGGERFPYPSFHWDPIRDPLRDPYRELDIHRRDPLGRDFLLRNDPLHRLSTPRLYEADRSFRDREPHDYSHHHHHHHHPLSVDPRREHERGGHLDERERLHMLREDYEHTRLHSVHPASLDGHLPHPSLITPGLPSMHYPRISPTAGNQNGLLNKTPPTAALSAPPPLISTLGGRPVSPRRTTPLSAEIRERPPSHTLKDIEAR
					

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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	P	35.1	Very low	32.6	Very low	172 Å²	172	140.7 Å²	140.7	100%	1.117	83%	0.83	S	S	*	*				0	127.9	0	-6.1	26.1	0	0	0	109
2	E	32.8	Very low	32.3	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	82%	0.816	S	S	*	*			trans	60.1	110.4	172.1	-55.8	-164	118	0	0	115.8
3	L	36.9	Very low	31.9	Very low	168 Å²	168	134.5 Å²	134.5	88%	0.88	80%	0.795	S	S	*	*				70.5	114.1	79.8	-68.7	170.5	0	0	0	112.7
4	G	32.5	Very low	31.7	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	80%	0.798	S	S	*	*			trans	176.7	88.1	-179.3	0	0	0	0	0	114.7
5	V	30.9	Very low	31.7	Very low	156 Å²	156	137.1 Å²	137.1	95%	0.945	79%	0.79	S	S	*	*			trans	-51.6	149	172.7	174.5	0	0	0	0	113.9
6	G	29.1	Very low	31.6	Very low	60 Å²	60	131.3 Å²	131.3	62%	0.619	76%	0.764	S	S	*	*			trans	151.4	86.7	146.2	0	0	0	0	0	121.3
7	T	32.4	Very low	31.4	Very low	131 Å²	131	125.2 Å²	125.2	80%	0.804	74%	0.736	S	S	*	*			trans	51.6	131	133.7	51.3	0	0	0	0	124.4
8	L	29.9	Very low	31.6	Very low	168 Å²	168	123.4 Å²	123.4	88%	0.88	73%	0.729	S	S	*	*			trans	82.3	153.7	146	-67.2	168.6	0	0	0	119.4
9	P	41.4	Very low	31.5	Very low	111 Å²	111	123.7 Å²	123.7	72%	0.721	73%	0.725	S	S	*	*			trans	-126.4	167	-150.6	42.4	-28.5	0	0	0	115.4
10	E	28.7	Very low	31.6	Very low	178 Å²	178	123.2 Å²	123.2	83%	0.832	72%	0.723	S	S	*	*			trans	-154	147.5	146.7	-129.3	-170.7	128.3	0	0	115
11	H	29.3	Very low	31.8	Very low	149 Å²	149	121.9 Å²	121.9	69%	0.69	72%	0.718	S	S	*	*			trans	53.7	129.2	147.5	-113.2	-82.1	0	0	0	124.9
12	D	28.5	Very low	31.6	Very low	124 Å²	124	119.4 Å²	119.4	66%	0.663	69%	0.69	S	S	*	*			trans	85.7	124.4	136.4	-116.6	-122.5	0	0	0	125.2
13	S	27.5	Very low	31.7	Very low	77 Å²	77	118.2 Å²	118.2	54%	0.538	69%	0.688	S	S	.	*			trans	63.1	116.6	132.9	-72.1	0	0	0	0	124.1
14	Q	28.7	Very low	31.5	Very low	180 Å²	180	113.7 Å²	113.7	84%	0.841	67%	0.67	S	S	*	*				52.3	121	124.2	-53.8	-176.4	16.5	0	0	120
15	D	32.4	Very low	31.7	Very low	127 Å²	127	111.8 Å²	111.8	68%	0.679	65%	0.65	S	S	*	*				-173.5	165.3	91.4	-169.4	29.4	0	0	0	113.1	K709	D15-K709 IonicContact OD1-NZ 3.28Å
16	A	30.2	Very low	32	Very low	44 Å²	44	109.4 Å²	109.4	36%	0.364	63%	0.632	S	S	.	*			trans	51.4	137.8	152.4	0	0	0	0	0	121.8	K711	A16-K711 WeakPolarHBondContact O-CD 3.35Å; A16-K711 WeakPolarHBondContact O-CE 3.29Å; A16-K711 PolarHBondContact O-NZ 2.79Å
17	G	26.7	Very low	32.6	Very low	29 Å²	29	114.3 Å²	114.3	30%	0.299	64%	0.639	S	S	.	*			trans	-72.2	-142.4	169.4	0	0	0	0	0	113.4	K711	G17-K711 VanDerWaalsContact C-CE 3.48Å; G17-K711 WeakPolarHBondContact O-CE 3.4Å; G17-K711 PolarHBondContact O-NZ 2.99Å
18	P	36.1	Very low	32.8	Very low	92 Å²	92	118.3 Å²	118.3	60%	0.597	64%	0.639	S	S	*	*			cis	-129	-149.8	3.2	32.3	-8.3	0	0	0	111.9
19	I	29.2	Very low	33.3	Very low	130 Å²	130	114.5 Å²	114.5	67%	0.667	63%	0.626	S	S	*	*			trans	88.1	164.3	160.1	-64.1	159.2	0	0	0	116.5
20	V	34.7	Very low	32.9	Very low	112 Å²	112	117.8 Å²	117.8	68%	0.679	63%	0.632	S	S	*	*			trans	-156.1	127.4	-149.1	170.3	0	0	0	0	111.9	K22	V20-K22 HydrophobicContact CG1-CB 4.13Å
21	P	34.3	Very low	33.2	Very low	96 Å²	96	114.9 Å²	114.9	62%	0.623	62%	0.618	S	S	*	*				-136.6	136.9	129.9	33.8	-20.5	0	0	0	111.5	E712	P21-E712 WeakPolarHBondContact CD-OE1 3.33Å
22	K	31.3	Very low	33.5	Very low	120 Å²	120	116 Å²	116	52%	0.522	62%	0.621	S	S	.	*			cis	72.2	129.9	28.8	-157.1	176.1	-170.8	171	0	113.2	V20	V20-K22 HydrophobicContact CG1-CB 4.13Å
23	I	34.5	Very low	34	Very low	150 Å²	150	115 Å²	115	77%	0.769	62%	0.624	S	S	*	*			trans	95.1	150.1	-172.7	76.8	128.7	0	0	0	114.7
24	S	33.3	Very low	34.3	Very low	73 Å²	73	115.9 Å²	115.9	51%	0.51	62%	0.62	S	S	.	*			cis	-170.9	138.5	-25.7	173.1	0	0	0	0	113.7	H743 P744	S24-H743 WeakPolarHBondContact CA-O 3.22Å; S24-P744 WeakPolarHBondContact OG-CD 3.3Å; S24-P744 PolarHBondContact OG-O 2.8Å; S24-P744 VanDerWaalsContact OG-O 3.11Å
25	G	36.4	Very low	34.5	Very low	40 Å²	40	112.5 Å²	112.5	41%	0.412	61%	0.607	S	S	.	*			trans	170.2	115.4	162.8	0	0	0	0	0	111.1	V742 H743	G25-V742 CarbonylContact O-C 3.56Å; G25-V742 VanDerWaalsContact O-C 3.29Å; G25-H743 PolarHBondContact N-O 2.83Å; G25-H743 PolarHBondContact O-N 3.47Å
26	L	37.3	Very low	34.2	Very low	107 Å²	107	111.4 Å²	111.4	56%	0.56	61%	0.609	S	S	*	*				63.6	122.3	57.3	-146.8	71.9	0	0	0	109.5	H743	L26-H743 VanDerWaalsContact N-N 3.12Å
27	E	41.9	Very low	34.2	Very low	163 Å²	163	114 Å²	114	76%	0.762	62%	0.623	S	S	*	*			cis	-128.1	175.7	39	-52.4	-156.6	75	0	0	112.2
28	R	35.6	Very low	34.4	Very low	215 Å²	215	122.2 Å²	122.2	81%	0.811	65%	0.65	S	S	*	*			cis	66	141.6	32.2	-74.7	-176.9	171.5	-168.4	-1	115.2
29	S	40.9	Very low	33.8	Very low	88 Å²	88	126.7 Å²	126.7	62%	0.615	66%	0.663	S	S	*	*			cis	-169.9	142	-32.4	-167.3	0	0	0	0	110.7
30	Q	33.3	Very low	34.2	Very low	179 Å²	179	125.6 Å²	125.6	84%	0.836	67%	0.665	S	S	*	*			trans	68	157.6	160.7	-82.6	164.3	95.9	0	0	117.8
31	E	35.1	Very low	33.7	Very low	117 Å²	117	127 Å²	127	55%	0.547	67%	0.667	S	S	.	*			cis	-158.6	127.1	4	157.5	-173.3	74.3	0	0	113	R963	E31-R963 IonicContact OE1-CZ 3.95Å; E31-R963 IonicContact OE1-NH2 2.68Å; E31-R963 PolarHBondContact OE1-NH2 2.96Å
32	K	36.1	Very low	33.3	Very low	172 Å²	172	131.9 Å²	131.9	75%	0.748	68%	0.679	S	S	*	*			trans	44.8	133.6	132.9	-171	-171.1	172.6	-169.7	0	124.4
33	S	37.5	Very low	33.3	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	69%	0.688	S	S	*	*			trans	-167.1	143.9	150.4	-75.7	0	0	0	0	107.8
34	Q	34.2	Very low	33.6	Very low	96 Å²	96	128.9 Å²	128.9	45%	0.449	67%	0.668	S	S	.	*			cis	102.3	148.6	41.9	-79.8	-174.6	-35.6	0	0	114.6	P959 V960	Q34-P959 HydrophobicContact CB-CB 4.09Å; Q34-P959 HydrophobicContact CB-CG 4.27Å; Q34-P959 HydrophobicContact CG-CB 3.96Å; Q34-V960 HydrophobicContact CB-CG2 4.36Å; Q34-V960 VanDerWaalsContact NE2-N 3.13Å
35	D	33.3	Very low	33.4	Very low	109 Å²	109	130.3 Å²	130.3	58%	0.583	67%	0.673	S	S	*	*			trans	-100.6	155.1	-141.1	-38.5	-126.1	0	0	0	119.1	P959	D35-P959 HydrophobicContact CB-CB 4.5Å; D35-P959 HydrophobicContact CB-CG 3.97Å; D35-P959 VanDerWaalsContact OD2-CB 3.28Å; D35-P959 WeakPolarHBondContact OD2-CB 3.23Å
36	C	27	Very low	33.1	Very low	105 Å²	105	132.5 Å²	132.5	71%	0.709	68%	0.678	S	S	*	*			trans	93.3	141.6	153.2	-155.8	0	0	0	0	123
37	C	29	Very low	32.7	Very low	97 Å²	97	132.1 Å²	132.1	66%	0.655	68%	0.676	S	S	*	*			trans	94.3	112.5	132.7	-64	0	0	0	0	121.5
38	K	31.4	Very low	32.1	Very low	203 Å²	203	132.3 Å²	132.3	88%	0.883	68%	0.675	S	S	*	*			trans	72.3	151.1	146.9	-58	-178.9	-179.3	-178.1	0	121
39	E	24.2	Very low	31.5	Very low	185 Å²	185	129.1 Å²	129.1	86%	0.864	67%	0.674	S	S	*	*			trans	-60.4	157.2	159.1	-74.8	169.5	110.9	0	0	111.6
40	P	36.3	Very low	31.3	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	68%	0.677	S	S	*	*			cis	-133	178.3	27.1	44.5	-30.1	0	0	0	116.7
41	I	24.5	Very low	30.7	Very low	142 Å²	142	126.8 Å²	126.8	73%	0.728	67%	0.673	S	S	*	*			trans	52.9	86.9	157.2	-60.9	153.8	0	0	0	115.5
42	F	26.3	Very low	30.7	Very low	197 Å²	197	125.5 Å²	125.5	86%	0.864	68%	0.675	S	S	*	*				-158.8	153.4	93.4	-115.8	-78.8	0	0	0	111.3
43	E	30.3	Very low	30.1	Very low	154 Å²	154	125.5 Å²	125.5	72%	0.72	68%	0.678	S	S	*	*			trans	-66.5	-179.8	160.9	-115.4	-168.3	168.2	0	0	110.8
44	P	40.9	Very low	29.4	Very low	53 Å²	53	126.6 Å²	126.6	34%	0.344	68%	0.68	S	S	.	*			cis	-143.1	156.6	-7.5	20.5	5.3	0	0	0	117.1	P733 P734	P44-P733 HydrophobicContact CB-CB 4.31Å; P44-P733 HydrophobicContact CB-CG 3.69Å; P44-P733 HydrophobicContact CG-CB 3.7Å; P44-P733 HydrophobicContact CG-CG 3.43Å; P44-P733 VanDerWaalsContact CG-CG 3.43Å; P44-P734 HydrophobicContact CG-CG 4.19Å; P44-P734 WeakPolarHBondContact O-CD 3.2Å
45	V	29.7	Very low	29	Very low	103 Å²	103	126 Å²	126	62%	0.624	69%	0.691	S	S	*	*			trans	52.5	179.6	145.2	-178.1	0	0	0	0	118.1	P734	V45-P734 CarbonylContact C-O 3.06Å
46	V	30.8	Very low	28.8	Very low	86 Å²	86	128.5 Å²	128.5	52%	0.521	70%	0.699	S	S	.	*			trans	-166.3	169.9	-169.4	79.4	0	0	0	0	111.6	P734	V46-P734 PolarHBondContact N-O 3.39Å; V46-P734 VanDerWaalsContact N-O 3.14Å
47	L	28.3	Very low	29.2	Very low	99 Å²	99	128.6 Å²	128.6	52%	0.518	70%	0.699	S	S	.	*			trans	130.9	154.1	138.8	-154.7	62.3	0	0	0	118	P736	L47-P736 CarbonylContact C-O 3.36Å; L47-P736 WeakPolarHBondContact CA-O 3.07Å; L47-P736 PolarHBondContact N-O 2.91Å
48	K	29.8	Very low	29.2	Very low	167 Å²	167	129.8 Å²	129.8	73%	0.726	70%	0.697	S	S	*	*			trans	107.8	126.6	135.5	-132.3	100.1	162.5	-166.1	0	121.4
49	D	21.9	Very low	29	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	69%	0.693	S	S	*	*			trans	-60.3	-170.7	140.9	-113.6	-49.1	0	0	0	110.9
50	P	36.6	Very low	29.5	Very low	105 Å²	105	125.2 Å²	125.2	68%	0.682	69%	0.69	S	S	*	*			cis	-131.8	-157.9	-15.6	27.8	-2	0	0	0	111.5
51	C	20.7	Very low	29.2	Very low	113 Å²	113	125.3 Å²	125.3	76%	0.764	69%	0.691	S	S	*	*			trans	-64	148	147	-159	0	0	0	0	108.8
52	P	35.9	Very low	29.4	Very low	90 Å²	90	123.6 Å²	123.6	58%	0.584	68%	0.679	S	S	*	*			cis	-152.2	-177	36	43.2	-21.5	0	0	0	118.6
53	Q	22.9	Very low	29.4	Very low	173 Å²	173	117.3 Å²	117.3	81%	0.808	66%	0.657	S	S	*	*			trans	64.8	141.7	138.4	-86.2	172.6	40.5	0	0	123.6
54	V	23.8	Very low	29.8	Very low	125 Å²	125	117.2 Å²	117.2	76%	0.758	66%	0.657	S	S	*	*			trans	80.5	119.3	144.2	170.3	0	0	0	0	119.9
55	A	24.8	Very low	29.6	Very low	83 Å²	83	119.9 Å²	119.9	69%	0.686	67%	0.674	S	S	*	*			trans	43.6	130.2	144.3	0	0	0	0	0	123.2
56	Q	29.8	Very low	29.6	Very low	162 Å²	162	121.9 Å²	121.9	76%	0.757	68%	0.677	S	S	*	*				28.9	138.8	120.3	-64.1	-71	1.7	0	0	118.8
57	P	34.9	Very low	29.7	Very low	108 Å²	108	125 Å²	125	70%	0.701	69%	0.689	S	S	*	*				-153.6	157.5	54.3	41.6	-21.5	0	0	0	120.3
58	I	30.1	Very low	29.7	Very low	121 Å²	121	132.2 Å²	132.2	62%	0.621	71%	0.71	S	S	*	*				35	127.4	127.7	-49.7	165	0	0	0	119.8	Q60	I58-Q60 HydrophobicContact CG2-CG 4.04Å
59	P	27.2	Very low	29.9	Very low	120 Å²	120	128.6 Å²	128.6	78%	0.779	71%	0.711	S	S	*	*			trans	-84.1	129.7	152.4	33.8	-29.7	0	0	0	112
60	Q	34.6	Very low	30.7	Very low	172 Å²	172	127.5 Å²	127.5	80%	0.804	71%	0.712	S	S	*	*			trans	-118.2	157.5	174.2	-90.5	-164.5	-18.2	0	0	112.1	I58	I58-Q60 HydrophobicContact CG2-CG 4.04Å
61	P	30.5	Very low	30.3	Very low	111 Å²	111	127.8 Å²	127.8	72%	0.721	72%	0.717	S	S	*	*			trans	-129.6	119.2	143.6	33.1	-19.7	0	0	0	113.7
62	Q	28.1	Very low	31.3	Very low	106 Å²	106	127.2 Å²	127.2	50%	0.495	71%	0.712	S	S	.	*			trans	26.2	150.6	143.6	-60.6	176.8	-57.1	0	0	120.7	Q78 R79	Q62-Q78 CarbonylContact O-C 3.54Å; Q62-Q78 VanDerWaalsContact O-C 3.25Å; Q62-Q78 WeakPolarHBondContact O-CA 3.4Å; Q62-Q78 PolarHBondContact O-N 2.9Å; Q62-R79 VanDerWaalsContact C-N 3.26Å; Q62-R79 PolarHBondContact O-N 2.91Å
63	T	27	Very low	30.9	Very low	64 Å²	64	130.3 Å²	130.3	39%	0.393	72%	0.723	S	S	.	*			cis	-139.2	175.4	33.6	27.8	0	0	0	0	115.1	Q78 R79	T63-Q78 WeakPolarHBondContact CB-O 3.07Å; T63-Q78 VanDerWaalsContact CG2-C 3.41Å; T63-Q78 WeakPolarHBondContact CG2-O 3.35Å; T63-Q78 VanDerWaalsContact OG1-CA 3.25Å; T63-Q78 WeakPolarHBondContact OG1-CA 3.16Å; T63-Q78 PolarHBondContact OG1-N 3Å; T63-Q78 VanDerWaalsContact OG1-N 3.15Å; T63-Q78 PolarHBondContact OG1-O 3.33Å; T63-R79 VanDerWaalsContact CG2-C 3.44Å; T63-R79 WeakPolarHBondContact CG2-O 3.2Å
64	E	37.1	Very low	31.8	Very low	152 Å²	152	127.5 Å²	127.5	71%	0.71	72%	0.72	S	S	*	*			trans	-107.2	153.6	140.7	-159.7	-149.6	105.3	0	0	109.2	Q66	E64-Q66 PolarHBondContact OE1-N 3.1Å
65	P	36.5	Very low	32	Very low	110 Å²	110	128.9 Å²	128.9	71%	0.714	72%	0.723	S	S	*	*				-148.2	138.7	106.2	36.1	-19.5	0	0	0	117.4
66	Q	30.6	Very low	32.4	Very low	144 Å²	144	131.9 Å²	131.9	67%	0.673	73%	0.727	S	S	*	*			trans	69	91.2	141.4	-72.7	-74.1	-3.4	0	0	121.5	E64	E64-Q66 PolarHBondContact OE1-N 3.1Å
67	L	32.3	Very low	32.5	Very low	151 Å²	151	129.4 Å²	129.4	79%	0.791	72%	0.723	S	S	*	*				39.8	100.4	129	-59.9	-177.3	0	0	0	121
68	R	28.6	Very low	32.4	Very low	251 Å²	251	130.6 Å²	130.6	95%	0.947	72%	0.719	S	S	*	*				-154.6	133.3	118.1	-142.7	165.4	-173.9	115.8	0.4	112.6
69	A	33.8	Very low	32.6	Very low	92 Å²	92	132.5 Å²	132.5	76%	0.76	72%	0.718	S	S	*	*			trans	-78.6	158.8	172.7	0	0	0	0	0	111.5
70	P	39.3	Very low	32.8	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	71%	0.706	S	S	*	*			cis	-127.5	171.9	15.7	41.3	-26.1	0	0	0	117.4
71	S	28.5	Very low	32.6	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	70%	0.704	S	S	*	*			trans	-28.6	153.3	168	-164.1	0	0	0	0	118.5
72	P	40.1	Very low	32.3	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	70%	0.703	S	S	*	*			cis	-128.4	166.6	2.7	36.9	-20.1	0	0	0	117.2
73	D	28.9	Very low	33.2	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	72%	0.717	S	S	*	*			trans	59.1	168.6	168.6	-69.4	-56.5	0	0	0	117.8
74	P	41.4	Very low	34.1	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	73%	0.73	S	S	*	*				-125.6	-179.5	-63.4	38.6	-23.8	0	0	0	115.1
75	D	28.5	Very low	33.8	Very low	153 Å²	153	133.1 Å²	133.1	82%	0.818	74%	0.737	S	S	*	*			trans	92.2	146.3	156.6	-125	-32	0	0	0	124.8
76	L	32.4	Very low	34.3	Very low	146 Å²	146	132.6 Å²	132.6	76%	0.764	73%	0.733	S	S	*	*			trans	72.6	95.8	144.5	-135.7	70.1	0	0	0	130.6
77	V	32.9	Very low	35.2	Very low	111 Å²	111	131.1 Å²	131.1	67%	0.673	74%	0.736	S	S	*	*				61.5	142.3	121.4	-178.5	0	0	0	0	128.5
78	Q	32.8	Very low	35.6	Very low	132 Å²	132	129.9 Å²	129.9	62%	0.617	74%	0.737	S	S	*	*			trans	117.8	97.9	138.6	-114.4	-173	123.4	0	0	129	Q62 T63	Q62-Q78 CarbonylContact O-C 3.54Å; Q62-Q78 VanDerWaalsContact O-C 3.25Å; Q62-Q78 WeakPolarHBondContact O-CA 3.4Å; Q62-Q78 PolarHBondContact O-N 2.9Å; T63-Q78 WeakPolarHBondContact CB-O 3.07Å; T63-Q78 VanDerWaalsContact CG2-C 3.41Å; T63-Q78 WeakPolarHBondContact CG2-O 3.35Å; T63-Q78 VanDerWaalsContact OG1-CA 3.25Å; T63-Q78 WeakPolarHBondContact OG1-CA 3.16Å; T63-Q78 PolarHBondContact OG1-N 3Å; T63-Q78 VanDerWaalsContact OG1-N 3.15Å; T63-Q78 PolarHBondContact OG1-O 3.33Å
79	R	33.5	Very low	35.5	Very low	162 Å²	162	125.8 Å²	125.8	61%	0.611	73%	0.733	S	S	*	*			trans	64.6	152.1	142.8	-129	-172.4	-169.2	129.7	4.6	128.7	Q62 T63	Q62-R79 VanDerWaalsContact C-N 3.26Å; Q62-R79 PolarHBondContact O-N 2.91Å; T63-R79 VanDerWaalsContact CG2-C 3.44Å; T63-R79 WeakPolarHBondContact CG2-O 3.2Å
80	T	32.2	Very low	35.3	Very low	85 Å²	85	126.5 Å²	126.5	52%	0.521	73%	0.732	S	S	.	*			trans	87.6	145.3	145.6	-81.8	0	0	0	0	117.9
81	E	29.4	Very low	34.9	Very low	161 Å²	161	127.4 Å²	127.4	75%	0.752	74%	0.736	S	S	*	*			cis	-161.3	-141.7	-12.8	-147.3	64.1	-124.4	0	0	114.1
82	A	24.2	Very low	34.9	Very low	86 Å²	86	130.5 Å²	130.5	71%	0.711	74%	0.738	S	S	*	*			trans	-139.4	-161.9	-174.2	0	0	0	0	0	112.3
83	P	46.2	Very low	35.3	Very low	121 Å²	121	130 Å²	130	79%	0.786	74%	0.735	S	S	*	*			cis	-135.3	-133.4	-3.3	35.1	-7.9	0	0	0	114.4
84	P	46.5	Very low	35.9	Very low	104 Å²	104	128.5 Å²	128.5	68%	0.675	73%	0.733	S	S	*	*				-124.1	162.9	-78	34.2	-15.8	0	0	0	119.1
85	Q	31	Very low	35.4	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	74%	0.741	S	S	*	*			trans	30.8	165.8	142.8	-77.4	-166.7	-83.5	0	0	124.9
86	P	46.8	Very low	35.5	Very low	98 Å²	98	128.3 Å²	128.3	64%	0.636	74%	0.737	S	S	*	*			cis	-138.9	-149.4	-40.7	44.3	-24.4	0	0	0	110.9
87	P	48.9	Very low	36.2	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	74%	0.739	S	S	*	*			cis	-141.1	5.2	-11.4	45.3	-27.9	0	0	0	121.5
88	P	42.3	Very low	37	Very low	125 Å²	125	127.1 Å²	127.1	81%	0.812	74%	0.74	S	S	*	*			trans	-86.5	-167.7	-130.2	37	-37.8	0	0	0	119.9
89	L	25.1	Very low	36.9	Very low	165 Å²	165	129.7 Å²	129.7	86%	0.864	75%	0.752	S	S	*	*			trans	-109.4	143.4	-155.7	-125.8	78	0	0	0	117
90	S	29.6	Very low	36.8	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	75%	0.754	S	S	*	*			trans	39.3	128.5	138.1	-162.1	0	0	0	0	123.2
91	T	30.9	Very low	36.7	Very low	143 Å²	143	130.3 Å²	130.3	88%	0.877	77%	0.77	S	S	*	*			trans	-157.3	156.1	149.5	-14.9	0	0	0	0	112.3
92	Q	29.6	Very low	36.8	Very low	177 Å²	177	130.7 Å²	130.7	83%	0.827	78%	0.776	S	S	*	*			trans	-135.6	-164.6	-179	-152.5	-155.6	-5	0	0	110.6
93	P	47.7	Very low	37	Very low	90 Å²	90	135.1 Å²	135.1	58%	0.584	78%	0.782	S	S	*	*				-97	-172.4	-121.5	43.5	-29.4	0	0	0	114.7
94	P	42.3	Very low	36.8	Very low	124 Å²	124	135 Å²	135	81%	0.805	78%	0.782	S	S	*	*			trans	-103.6	157	150.2	35.9	-28.8	0	0	0	113.2
95	Q	31.6	Very low	36.1	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	79%	0.786	S	S	*	*			trans	-105.4	153.5	175.3	-58.6	177.2	-76.1	0	0	110.9
96	G	30.1	Very low	36.4	Very low	71 Å²	71	132 Å²	132	73%	0.732	79%	0.785	S	S	*	*				94.8	-178.8	98.7	0	0	0	0	0	111.5
97	P	47	Very low	35.7	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	80%	0.795	S	S	*	*			cis	-124.5	-146.3	-10.7	44.6	-28.1	0	0	0	109.8
98	P	50.2	Low	35.5	Very low	107 Å²	107	135.1 Å²	135.1	70%	0.695	79%	0.79	S	S	*	*			cis	-108.3	-168.4	-36.9	34.6	-15.9	0	0	0	110.3
99	E	29.2	Very low	35	Very low	186 Å²	186	137.7 Å²	137.7	87%	0.869	79%	0.791	S	S	*	*			cis	-148.7	177.5	16.8	-152.2	162	123	0	0	113.1
100	A	32.6	Very low	35.2	Very low	79 Å²	79	134.4 Å²	134.4	65%	0.653	78%	0.778	S	S	*	*			trans	-65.7	169.4	-165.9	0	0	0	0	0	115.6
101	Q	29.6	Very low	35.3	Very low	180 Å²	180	133.1 Å²	133.1	84%	0.841	76%	0.76	S	S	*	*			cis	-149	132.3	34.6	-67.3	172.9	-7.5	0	0	110.5
102	L	32.3	Very low	35.2	Very low	169 Å²	169	134.3 Å²	134.3	89%	0.885	75%	0.748	S	S	*	*				75.5	150	85.6	-69.1	170.8	0	0	0	117.5
103	Q	26.9	Very low	36	Very low	179 Å²	179	130.4 Å²	130.4	84%	0.836	74%	0.738	S	S	*	*			trans	-105.6	-166.4	-170.5	-41.5	169.4	-3.7	0	0	111.1
104	P	42	Very low	35.5	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	75%	0.747	S	S	*	*			cis	-126.5	-163.9	-28.4	24.3	0.3	0	0	0	112.4
105	A	31.9	Very low	35.1	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	75%	0.746	S	S	*	*			trans	-78.4	159.7	-177.2	0	0	0	0	0	115.9
106	P	38.8	Very low	35.3	Very low	127 Å²	127	132 Å²	132	83%	0.825	74%	0.739	S	S	*	*				-146.7	-162.5	101.3	40.3	-23.1	0	0	0	116
107	Q	30.3	Very low	35.3	Very low	180 Å²	180	137.3 Å²	137.3	84%	0.841	74%	0.744	S	S	*	*			trans	-80.1	-168	-176.2	-45.5	-174.3	-17	0	0	113.6
108	P	46.6	Very low	34.4	Very low	98 Å²	98	133.1 Å²	133.1	64%	0.636	72%	0.718	S	S	*	*			cis	-143.8	-166.6	-0.3	38.5	-15	0	0	0	117.3
109	Q	29.7	Very low	33.9	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	71%	0.707	S	S	*	*			trans	76.7	149.7	158.5	-68.7	-170.8	20.2	0	0	117.8
110	V	30.4	Very low	33.9	Very low	95 Å²	95	126 Å²	126	58%	0.576	69%	0.687	S	S	*	*			cis	-157.9	148.6	0.6	101.5	0	0	0	0	113.8
111	Q	31.9	Very low	33.8	Very low	81 Å²	81	128 Å²	128	38%	0.379	68%	0.682	S	S	.	*			trans	58.7	168.1	159.3	-64.5	169.9	63.2	0	0	120.3	P202 P203	Q111-P202 PolarHBondContact OE1-O 2.78Å; Q111-P203 CarbonylContact C-O 3.24Å; Q111-P203 VanDerWaalsContact C-O 3.24Å; Q111-P203 WeakPolarHBondContact CB-O 3.18Å
112	R	29	Very low	33.8	Very low	167 Å²	167	124.4 Å²	124.4	63%	0.63	67%	0.668	S	S	*	*			cis	-167.6	131.8	-49.8	-155.6	-164.9	-62.8	-164.3	3.3	110.6	P203 A204	R112-P203 PolarHBondContact N-O 2.98Å; R112-P203 CarbonylContact O-C 3.39Å; R112-A204 CarbonylContact C-O 3.05Å; R112-A204 WeakPolarHBondContact CA-O 3.26Å; R112-A204 PolarHBondContact N-O 3.12Å; R112-A204 CarbonylContact O-C 3.59Å; R112-A204 PolarHBondContact O-N 3.22Å
113	P	46.3	Very low	33.7	Very low	95 Å²	95	120.4 Å²	120.4	62%	0.617	65%	0.647	S	S	*	*			trans	-81.5	170.9	-175.7	36.4	-41.1	0	0	0	114.3
114	P	37.7	Very low	33.8	Very low	118 Å²	118	117.7 Å²	117.7	77%	0.766	63%	0.634	S	S	*	*				-140.6	168.6	97	41.3	-26.2	0	0	0	112.5
115	R	33.1	Very low	33.3	Very low	210 Å²	210	117.5 Å²	117.5	79%	0.792	62%	0.623	S	S	*	*			cis	58.8	149.7	47.2	-162.4	177.9	-171	-173.8	4.6	112.1
116	P	35.5	Very low	33	Very low	114 Å²	114	116.9 Å²	116.9	74%	0.74	61%	0.607	S	S	*	*			cis	-82.5	-147.1	-9.6	-6.8	30.4	0	0	0	112
117	Q	30.1	Very low	32.6	Very low	182 Å²	182	114.5 Å²	114.5	85%	0.85	59%	0.587	S	S	*	*			cis	-126.7	-142.3	6.7	-64.6	178	-2.9	0	0	111.6
118	S	27.6	Very low	33	Very low	36 Å²	36	111.5 Å²	111.5	25%	0.252	58%	0.583	S	S	.	*			trans	-160.7	121.4	-172.2	-82.6	0	0	0	0	115.8	A943 A944	S118-A943 WeakPolarHBondContact O-CB 3.19Å; S118-A944 CarbonylContact C-O 2.98Å; S118-A944 WeakPolarHBondContact CB-O 3.11Å; S118-A944 PolarHBondContact O-N 2.71Å; S118-A944 VanDerWaalsContact O-O 3.11Å
119	P	40.3	Very low	32.6	Very low	73 Å²	73	111.1 Å²	111.1	47%	0.474	58%	0.581	S	S	.	*			trans	-121.9	162.5	171.5	39.7	-28	0	0	0	114.8	T942 A943 L945	P119-T942 HydrophobicContact CB-CG2 3.76Å; P119-A943 HydrophobicContact CB-CB 4.1Å; P119-L945 WeakPolarHBondContact O-CD1 2.99Å; P119-L945 WeakPolarHBondContact O-CG 2.99Å
120	T	29.6	Very low	32.7	Very low	72 Å²	72	108.2 Å²	108.2	44%	0.442	58%	0.575	S	S	.	*			cis	-155.7	114.8	-9.7	-73.2	0	0	0	0	107	T942 A943 A944	T120-T942 VanDerWaalsContact OG1-CA 3.28Å; T120-T942 WeakPolarHBondContact OG1-CA 3.03Å; T120-T942 VanDerWaalsContact OG1-CG2 3.28Å; T120-T942 WeakPolarHBondContact OG1-CG2 3.01Å; T120-A943 PolarHBondContact OG1-N 3.19Å; T120-A944 VanDerWaalsContact CA-CB 3.42Å
121	Q	30.8	Very low	32.7	Very low	121 Å²	121	112.2 Å²	112.2	57%	0.565	59%	0.587	S	S	*	*				52.4	85.7	98	-86.8	-62.8	102.6	0	0	117.5	A943 A944	Q121-A943 WeakPolarHBondContact CB-O 3.44Å; Q121-A943 WeakPolarHBondContact CG-O 3.37Å; Q121-A944 HydrophobicContact CB-CB 4.3Å; Q121-A944 HydrophobicContact CG-CB 4Å
122	L	29.8	Very low	32.4	Very low	103 Å²	103	113.1 Å²	113.1	54%	0.539	61%	0.609	S	S	.	*				42	142.9	110.4	-59.8	-158.1	0	0	0	120.5
123	L	29.8	Very low	32.3	Very low	85 Å²	85	113.5 Å²	113.5	45%	0.445	62%	0.617	S	S	.	*			cis	-167.9	163.7	-8.9	177.8	120.3	0	0	0	109.9	A217	L123-A217 WeakPolarHBondContact CD1-O 3.44Å
124	H	29.7	Very low	31.8	Very low	123 Å²	123	112 Å²	112	57%	0.569	61%	0.607	S	S	*	*			trans	-16.7	138.6	160.7	-60.5	118.2	0	0	0	119.7
125	Q	29.8	Very low	31.4	Very low	115 Å²	115	109.2 Å²	109.2	54%	0.537	59%	0.591	S	S	.	*				67.3	117.5	129.4	-68.7	-132.5	108.2	0	0	121.7	P219 P220	Q125-P219 PolarHBondContact NE2-O 2.81Å; Q125-P220 PolarHBondContact NE2-O 3.12Å; Q125-P220 WeakPolarHBondContact O-CD 3.16Å; Q125-P220 PolarHBondContact OE1-O 2.86Å; Q125-P220 VanDerWaalsContact OE1-O 3.12Å
126	N	27.1	Very low	31.2	Very low	80 Å²	80	101.8 Å²	101.8	43%	0.428	57%	0.574	S	S	.	*				76.2	163.2	115.6	-117.2	-38.1	0	0	0	125.3	P220 P221	N126-P220 HydrophobicContact CB-CB 3.97Å; N126-P220 HydrophobicContact CB-CG 4.1Å; N126-P220 WeakPolarHBondContact CB-O 3.44Å; N126-P220 PolarHBondContact ND2-O 3.02Å; N126-P221 PolarHBondContact ND2-O 3.46Å; N126-P221 PolarHBondContact OD1-O 3.21Å
127	L	29.6	Very low	31.1	Very low	77 Å²	77	102.9 Å²	102.9	40%	0.403	57%	0.569	S	S	.	*			trans	11.4	124.5	171.2	-78.3	155.8	0	0	0	121.5	P220 P221	L127-P220 HydrophobicContact CB-CB 4.24Å; L127-P221 HydrophobicContact CD1-CG 4.41Å; L127-P221 VanDerWaalsContact CD1-O 3.26Å; L127-P221 WeakPolarHBondContact CD1-O 3.41Å
128	P	38.4	Very low	31	Very low	118 Å²	118	98.5 Å²	98.5	77%	0.766	56%	0.559	S	S	*	*			trans	-103.6	159.9	167.6	39.5	-32.6	0	0	0	114.2
129	P	38.2	Very low	31.4	Very low	90 Å²	90	102 Å²	102	58%	0.584	58%	0.575	S	S	*	*			trans	-124.6	134.7	156.7	35.5	-23.6	0	0	0	114.5
130	V	31.6	Very low	30.8	Very low	118 Å²	118	103.5 Å²	103.5	72%	0.715	59%	0.587	S	S	*	*			trans	57.2	113.8	143.9	-173.4	0	0	0	0	120.9
131	Q	30.6	Very low	30.8	Very low	178 Å²	178	108.2 Å²	108.2	83%	0.832	60%	0.604	S	S	*	*			trans	49.1	111.7	148.8	-63.8	175.9	-6.6	0	0	121.3
132	A	27.1	Very low	31.7	Very low	101 Å²	101	106.5 Å²	106.5	84%	0.835	60%	0.603	S	S	*	*				-164.4	142.9	99.5	0	0	0	0	0	111.9
133	H	26.3	Very low	32.2	Very low	174 Å²	174	106 Å²	106	81%	0.806	60%	0.6	S	S	*	*			trans	-73.2	162.9	164.4	-67.6	-60.7	0	0	0	109.8
134	P	36.2	Very low	32.6	Very low	63 Å²	63	106.8 Å²	106.8	41%	0.409	61%	0.613	S	S	.	*			cis	-153.6	-176.8	31.2	43.4	-21.9	0	0	0	119.5	P927	P134-P927 HydrophobicContact CB-CB 3.53Å; P134-P927 HydrophobicContact CB-CG 3.78Å
135	S	28.9	Very low	33	Very low	61 Å²	61	105 Å²	105	43%	0.427	62%	0.62	S	S	.	*			trans	63.6	125	169.3	34.3	0	0	0	0	116.9	S926	S135-S926 WeakPolarHBondContact CB-O 3.43Å; S135-S926 PolarHBondContact OG-N 3.43Å; S135-S926 VanDerWaalsContact OG-N 3.09Å
136	A	28.9	Very low	33.3	Very low	53 Å²	53	110.1 Å²	110.1	44%	0.438	64%	0.636	S	S	.	*			cis	75.6	141.5	42.4	0	0	0	0	0	112.9	Y922	A136-Y922 WeakPolarHBondContact O-CE1 3.35Å
137	Q	32.8	Very low	34	Very low	137 Å²	137	113.3 Å²	113.3	64%	0.64	65%	0.653	S	S	*	*			cis	-161.9	-174.5	14.8	-143.8	169.6	48	0	0	113.7	Y922	Q137-Y922 PolarHBondContact N-OH 3.37Å; Q137-Y922 WeakPolarHBondContact O-CE2 3.33Å; Q137-Y922 VanDerWaalsContact O-CZ 3.29Å; Q137-Y922 PolarHBondContact O-OH 3.05Å
138	S	27.3	Very low	34.7	Very low	91 Å²	91	114.6 Å²	114.6	64%	0.636	67%	0.668	S	S	*	*			trans	66	121.2	171.3	71.1	0	0	0	0	116.5
139	L	37.8	Very low	34.2	Very low	110 Å²	110	113.3 Å²	113.3	58%	0.576	66%	0.662	S	S	*	*			cis	62.8	122	3.6	-94.2	172.8	0	0	0	117.6	Q932	L139-Q932 WeakPolarHBondContact CD2-O 3.34Å
140	S	26.3	Very low	34	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	67%	0.665	S	S	*	*			trans	-153.4	153	151.1	68.6	0	0	0	0	106.4
141	Q	29.9	Very low	34.4	Very low	171 Å²	171	112.6 Å²	112.6	80%	0.799	66%	0.656	S	S	*	*			cis	-133.4	-160.3	19.1	-45.4	179	1.3	0	0	108.6
142	P	49.4	Very low	34.8	Very low	85 Å²	85	108.8 Å²	108.8	55%	0.552	65%	0.649	S	S	*	*			cis	-129	-172.2	-15.4	32.1	-10.6	0	0	0	113
143	L	40.3	Very low	35.2	Very low	91 Å²	91	111 Å²	111	48%	0.476	65%	0.646	S	S	.	*				169.2	136.6	112	-88.4	172.2	0	0	0	115.1
144	S	39.5	Very low	35.4	Very low	102 Å²	102	110.2 Å²	110.2	71%	0.713	65%	0.648	S	S	*	*			trans	78.5	143.5	142.2	-64.4	0	0	0	0	123.8
145	A	37.8	Very low	35	Very low	86 Å²	86	112.1 Å²	112.1	71%	0.711	66%	0.662	S	S	*	*	S	Bend	trans	89.7	147.2	159.3	0	0	0	0	0	119.4
146	Y	36.3	Very low	35.1	Very low	223 Å²	223	117 Å²	117	88%	0.875	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-10.7	118.7	-170.5	-106.4	-112.1	0	0	0	117.4	S148 S149	Y146-S148 PolarHBondContact O-N 2.95Å; Y146-S148 VanDerWaalsContact O-N 3.1Å; Y146-S149 PolarHBondContact O-N 3.49Å
147	N	41.6	Very low	35.1	Very low	147 Å²	147	119.7 Å²	119.7	79%	0.786	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-26.7	95.9	-146.1	-166.1	1.7	0	0	0	115.8	S149	N147-S149 VanDerWaalsContact C-N 3.34Å; N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 PolarHBondContact O-OG 2.81Å
148	S	43.4	Very low	34.7	Very low	103 Å²	103	118.2 Å²	118.2	72%	0.72	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	59.8	36.2	160.5	-49.1	0	0	0	0	115.2	Y146	Y146-S148 PolarHBondContact O-N 2.95Å; Y146-S148 VanDerWaalsContact O-N 3.1Å
149	S	29.2	Very low	34.5	Very low	92 Å²	92	119.1 Å²	119.1	64%	0.643	71%	0.709	S	S	*	*			trans	-116.7	140.8	175.3	-58.5	0	0	0	0	110.5	Y146 N147	Y146-S149 PolarHBondContact O-N 3.49Å; N147-S149 VanDerWaalsContact C-N 3.34Å; N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 PolarHBondContact O-OG 2.81Å
150	S	33.3	Very low	34	Very low	94 Å²	94	124.3 Å²	124.3	66%	0.657	72%	0.722	S	S	*	*			cis	-166	133.2	-10	48.5	0	0	0	0	106.3
151	L	39.8	Very low	33.9	Very low	98 Å²	98	123.6 Å²	123.6	51%	0.513	72%	0.717	S	S	.	*				48.2	123.6	77.7	-60.2	167	0	0	0	110.6	P918	L151-P918 HydrophobicContact CD2-CG 3.58Å; L151-P918 HydrophobicContact CG-CG 3.9Å
152	S	38.3	Very low	33.7	Very low	98 Å²	98	119.5 Å²	119.5	69%	0.685	71%	0.707	S	S	*	*				-177.1	-180	53.9	-59.9	0	0	0	0	112
153	L	35.1	Very low	33.1	Very low	148 Å²	148	121.6 Å²	121.6	78%	0.775	72%	0.718	S	S	*	*			trans	71.9	133.4	161.8	-46.6	-174.6	0	0	0	115.6
154	N	32.3	Very low	33	Very low	157 Å²	157	122.8 Å²	122.8	84%	0.84	73%	0.731	S	S	*	*			cis	62.8	82.5	3.1	-157.8	9.5	0	0	0	116.3
155	S	27.5	Very low	32.4	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	73%	0.734	S	S	*	*			trans	-159.7	156.3	158.9	-83.1	0	0	0	0	112.1
156	L	30.4	Very low	31.8	Very low	165 Å²	165	127.6 Å²	127.6	86%	0.864	74%	0.741	S	S	*	*			trans	-85.3	-179.5	175.6	-69.4	155.5	0	0	0	111.5
157	S	28	Very low	31.6	Very low	108 Å²	108	122.1 Å²	122.1	76%	0.755	73%	0.731	S	S	*	*			trans	88.3	144.3	-178.1	-37.8	0	0	0	0	112.1
158	S	24.5	Very low	31.1	Very low	106 Å²	106	123.7 Å²	123.7	74%	0.741	73%	0.733	S	S	*	*			cis	58.6	124	47.8	-65.1	0	0	0	0	111.8
159	S	24.4	Very low	31.4	Very low	110 Å²	110	124.5 Å²	124.5	77%	0.769	74%	0.736	S	S	*	*			cis	-96.3	158.2	10	-59	0	0	0	0	110.8
160	R	25.7	Very low	31.4	Very low	220 Å²	220	124.8 Å²	124.8	83%	0.83	74%	0.744	S	S	*	*				51.5	137.5	54.9	-56.2	-177.8	76	174.8	3.6	111
161	S	24.2	Very low	32.2	Very low	89 Å²	89	126 Å²	126	62%	0.622	75%	0.749	S	S	*	*			cis	-151.5	163.7	19.1	-164.3	0	0	0	0	111.9
162	S	25.8	Very low	33.1	Very low	85 Å²	85	126.8 Å²	126.8	59%	0.594	76%	0.761	S	S	*	*			trans	30.4	125.6	141.5	62.2	0	0	0	0	119.4
163	T	38.4	Very low	32.9	Very low	128 Å²	128	130 Å²	130	79%	0.785	77%	0.765	S	S	*	*				48.4	151.3	65.3	77.7	0	0	0	0	114.5
164	P	36.6	Very low	32.8	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	76%	0.761	S	S	*	*			cis	-126.6	-158.2	-12.4	39.6	-20.8	0	0	0	111.6
165	A	27	Very low	32.7	Very low	94 Å²	94	127 Å²	127	78%	0.777	76%	0.757	S	S	*	*			trans	26.5	145.9	142.5	0	0	0	0	0	123.5	T167	A165-T167 PolarHBondContact O-N 3.3Å
166	K	25.5	Very low	33	Very low	196 Å²	196	129.8 Å²	129.8	85%	0.852	76%	0.758	S	S	*	*			trans	-67.3	109.4	174.6	-178.6	179.5	176.4	179.9	0	114
167	T	33.1	Very low	33.2	Very low	108 Å²	108	129 Å²	129	66%	0.663	75%	0.749	S	S	*	*			trans	93.2	129.3	130.7	-58.2	0	0	0	0	122.5	A165	A165-T167 PolarHBondContact O-N 3.3Å
168	Q	31.6	Very low	34.5	Very low	179 Å²	179	129.2 Å²	129.2	84%	0.836	75%	0.748	S	S	*	*			trans	93.2	159.3	149.2	-89.5	179.8	-20.9	0	0	122.6
169	P	48.9	Very low	34.8	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	75%	0.752	S	S	*	*				-140.2	174.8	-128	44.2	-24.2	0	0	0	118.6
170	A	28	Very low	35.2	Very low	98 Å²	98	129.5 Å²	129.5	81%	0.81	76%	0.756	S	S	*	*			trans	178.6	165.1	150	0	0	0	0	0	113.3
171	P	50.2	Low	35.7	Very low	119 Å²	119	124.3 Å²	124.3	77%	0.773	75%	0.754	S	S	*	*			trans	-120.8	-159.7	-172	47.4	-35.6	0	0	0	113.8
172	P	60.7	Low	36.9	Very low	116 Å²	116	125.9 Å²	125.9	75%	0.753	76%	0.762	S	S	*	*			cis	-141	175.4	-8.5	40.6	-21	0	0	0	119.2
173	H	33.4	Very low	37.5	Very low	165 Å²	165	131.3 Å²	131.3	76%	0.764	78%	0.775	S	S	*	*			trans	107.9	125.9	133.6	-130.6	-137.8	0	0	0	126.6
174	I	31.9	Very low	38.2	Very low	136 Å²	136	130.6 Å²	130.6	70%	0.697	77%	0.773	S	S	*	*			trans	58.7	132.8	152.4	54	177.3	0	0	0	127.8
175	S	31	Very low	38	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	78%	0.777	S	S	*	*			trans	128.8	157.4	158.8	-69	0	0	0	0	115.5
176	H	34.7	Very low	38	Very low	160 Å²	160	133.6 Å²	133.6	74%	0.741	78%	0.777	S	S	*	*			cis	-156.2	-166.5	-10.7	-126.6	79	0	0	0	113.6
177	H	34.8	Very low	38.3	Very low	150 Å²	150	132 Å²	132	69%	0.694	78%	0.777	S	S	*	*			trans	-154.2	177.2	-174.4	65.9	-53.4	0	0	0	112.3
178	P	54.6	Low	39.3	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	78%	0.778	S	S	*	*				-141.9	-172.2	-53	40.9	-21.2	0	0	0	116.5
179	S	30.6	Very low	39.1	Very low	118 Å²	118	129 Å²	129	83%	0.825	77%	0.768	S	S	*	*			trans	105.4	141.9	141.7	-148.3	0	0	0	0	125.5
180	A	32.9	Very low	38.3	Very low	104 Å²	104	131 Å²	131	86%	0.86	77%	0.767	S	S	*	*			trans	77.5	164.9	148.2	0	0	0	0	0	125.2
181	S	36.1	Very low	38.3	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	77%	0.766	S	S	*	*			trans	-119.9	174.2	-172.7	65.3	0	0	0	0	113
182	P	48.4	Very low	38.6	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	76%	0.764	S	S	*	*				-160.1	-159.5	79.6	43.8	-20.5	0	0	0	117.1
183	F	40.4	Very low	37.4	Very low	198 Å²	198	132.5 Å²	132.5	87%	0.868	76%	0.763	S	S	*	*			trans	-94.5	156.5	168.5	-78.6	-86.2	0	0	0	113.2
184	P	52.3	Low	37.7	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	76%	0.762	S	S	*	*				-144.1	161.6	108.3	18.7	4.9	0	0	0	113.5
185	L	32.3	Very low	37.7	Very low	162 Å²	162	129.6 Å²	129.6	85%	0.848	76%	0.755	S	S	*	*			cis	105.2	139.8	38	-71.6	177.2	0	0	0	115.6
186	S	27.6	Very low	37.9	Very low	110 Å²	110	134 Å²	134	77%	0.769	76%	0.761	S	S	*	*			trans	102.9	143.5	149.4	-61.7	0	0	0	0	123.6
187	L	30.8	Very low	37.9	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	76%	0.764	S	S	*	*			trans	-111	-146.7	173.2	-52.2	69.2	0	0	0	107.9
188	P	53.9	Low	38.8	Very low	104 Å²	104	130 Å²	130	68%	0.675	76%	0.761	S	S	*	*			cis	-128.9	-168.8	-35.3	34.3	-13.9	0	0	0	112.6
189	N	27	Very low	38	Very low	119 Å²	119	130.6 Å²	130.6	64%	0.636	76%	0.762	S	S	*	*				156.7	154.8	99.5	-132.4	-16.7	0	0	0	118.5
190	H	32.3	Very low	38.2	Very low	163 Å²	163	132.3 Å²	132.3	76%	0.755	76%	0.761	S	S	*	*			trans	72.1	150	157.2	-59.4	-46.6	0	0	0	124.5
191	S	28.8	Very low	38.1	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	76%	0.757	S	S	*	*			trans	-149.9	-153.6	179.2	-43.1	0	0	0	0	107
192	P	55.4	Low	38.4	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	74%	0.743	S	S	*	*			cis	-129.6	-178.8	-39.5	29.7	-8.7	0	0	0	113.4
193	L	37.1	Very low	38.3	Very low	141 Å²	141	131.1 Å²	131.1	74%	0.738	73%	0.727	S	S	*	*				160.9	158.4	120.9	-88.5	172.2	0	0	0	117.2
194	H	38.6	Very low	37.8	Very low	162 Å²	162	123.8 Å²	123.8	75%	0.75	70%	0.704	S	S	*	*			trans	70.5	143.9	165.9	-63.6	-60.1	0	0	0	119.7
195	S	31.8	Very low	36.9	Very low	77 Å²	77	125.7 Å²	125.7	54%	0.538	70%	0.702	S	S	.	*			cis	-172.7	151.7	-21	-109.7	0	0	0	0	113.2
196	F	35.1	Very low	36.9	Very low	199 Å²	199	122.2 Å²	122.2	87%	0.873	69%	0.692	S	S	*	*			trans	72.6	166.6	157.5	-57.6	-55	0	0	0	123.3
197	T	34.7	Very low	37.4	Very low	131 Å²	131	123.4 Å²	123.4	80%	0.804	69%	0.685	S	S	*	*			trans	-154.7	-158.5	-167.7	55.5	0	0	0	0	108
198	P	53.5	Low	37.8	Very low	97 Å²	97	118 Å²	118	63%	0.63	66%	0.655	S	S	*	*			cis	-141.8	-160.7	-5.8	40.1	-17	0	0	0	115.9
199	T	37.8	Very low	37.3	Very low	123 Å²	123	118.5 Å²	118.5	76%	0.755	66%	0.658	S	S	*	*			trans	71.7	155.2	155.1	53.3	0	0	0	0	119.8
200	L	34.5	Very low	37.6	Very low	154 Å²	154	120.1 Å²	120.1	81%	0.806	67%	0.667	S	S	*	*			cis	-155.1	-170.3	-1.8	-122.1	165.2	0	0	0	111.8
201	Q	31.1	Very low	37.6	Very low	165 Å²	165	117.5 Å²	117.5	77%	0.771	66%	0.657	S	S	*	*			trans	-139.4	-169.2	-173.1	62.7	167.8	-12.2	0	0	110.8
202	P	42.6	Very low	38	Very low	74 Å²	74	116.2 Å²	116.2	48%	0.481	64%	0.637	S	S	.	*			cis	-129.2	-104.2	5.4	26.3	1.8	0	0	0	120.6	Q111	Q111-P202 PolarHBondContact OE1-O 2.78Å
203	P	47.1	Very low	37.1	Very low	73 Å²	73	113.9 Å²	113.9	47%	0.474	63%	0.626	S	S	.	*				-135.7	-176.3	-118.3	43.9	-25.1	0	0	0	119.4	Q111 R112	Q111-P203 CarbonylContact C-O 3.24Å; Q111-P203 VanDerWaalsContact C-O 3.24Å; Q111-P203 WeakPolarHBondContact CB-O 3.18Å; R112-P203 PolarHBondContact N-O 2.98Å; R112-P203 CarbonylContact O-C 3.39Å
204	A	29.7	Very low	37.2	Very low	45 Å²	45	111.5 Å²	111.5	37%	0.372	62%	0.62	S	S	.	*			trans	102.3	154.5	142.6	0	0	0	0	0	121.7	R112	R112-A204 CarbonylContact C-O 3.05Å; R112-A204 WeakPolarHBondContact CA-O 3.26Å; R112-A204 PolarHBondContact N-O 3.12Å; R112-A204 CarbonylContact O-C 3.59Å; R112-A204 PolarHBondContact O-N 3.22Å
205	H	33.7	Very low	37.7	Very low	153 Å²	153	108.5 Å²	108.5	71%	0.708	62%	0.615	S	S	*	*			trans	78.5	138.8	172.7	-59.1	-70.2	0	0	0	119.5
206	S	32.6	Very low	37.8	Very low	90 Å²	90	109.4 Å²	109.4	63%	0.629	62%	0.617	S	S	*	*			trans	-100	-157.3	-164.2	36.4	0	0	0	0	111.9
207	H	37.5	Very low	37.7	Very low	135 Å²	135	103.3 Å²	103.3	63%	0.625	60%	0.603	S	S	*	*			trans	92.3	67.6	166.5	-54.3	-72.2	0	0	0	117.6
208	H	40.1	Very low	37.7	Very low	50 Å²	50	103.2 Å²	103.2	23%	0.231	60%	0.597	C	S	.	*			trans	96.7	126.1	132.2	-46.6	-46	0	0	0	119.2	S599 S600 T601	H208-S599 PolarHBondContact CD2-O 3.43Å; H208-S599 VanDerWaalsContact CD2-O 3.24Å; H208-S599 PolarHBondContact CD2-OG 2.88Å; H208-S599 PolarHBondContact NE2-O 3.17Å; H208-S600 VanDerWaalsContact CB-OG 3.29Å; H208-S600 WeakPolarHBondContact CB-OG 3.49Å; H208-S600 PolarHBondContact CD2-N 3.26Å; H208-S600 PolarHBondContact CE1-N 3.4Å; H208-S600 PolarHBondContact CE1-O 3.21Å; H208-S600 VanDerWaalsContact CG-N 3.32Å; H208-S600 PolarHBondContact ND1-N 2.82Å; H208-S600 PolarHBondContact ND1-OG 2.86Å; H208-S600 PolarHBondContact NE2-N 3.24Å; H208-T601 WeakPolarHBondContact ND1-CB 3.33Å; H208-T601 PolarHBondContact ND1-N 3.49Å; H208-T601 PolarHBondContact ND1-OG1 2.9Å
209	P	41.8	Very low	37.7	Very low	114 Å²	114	103.1 Å²	103.1	74%	0.74	60%	0.597	S	S	*	*			trans	-87.4	143.3	177.3	35.1	-33.6	0	0	0	112.4
210	N	33.4	Very low	37.5	Very low	153 Å²	153	98.5 Å²	98.5	82%	0.818	57%	0.569	S	S	*	*			trans	-149.3	160.2	164.5	-162.7	4.7	0	0	0	110.8
211	M	32.3	Very low	37.6	Very low	108 Å²	108	94.7 Å²	94.7	53%	0.532	55%	0.553	S	S	.	*			trans	74	89.4	170.9	-66.2	163.7	48.5	0	0	116.8	P948 P949	M211-P948 HydrophobicContact CB-CG 4.24Å; M211-P948 HydrophobicContact CG-CG 4.43Å; M211-P949 HydrophobicContact CE-CG 3.85Å
212	F	38.3	Very low	38.4	Very low	87 Å²	87	90.7 Å²	90.7	38%	0.382	54%	0.541	S	S	.	.			trans	-163.1	157.4	158	-94.2	-175	0	0	0	109.8	L945 A947	F212-L945 HydrophobicContact CB-CB 3.97Å; F212-L945 HydrophobicContact CB-CD2 3.95Å; F212-L945 HydrophobicContact CB-CG 4.41Å; F212-L945 HydrophobicContact CD1-CB 3.75Å; F212-L945 HydrophobicContact CG-CB 4.33Å; F212-A947 WeakPolarHBondContact CD2-O 3.29Å
213	A	35	Very low	38.5	Very low	60 Å²	60	90.3 Å²	90.3	50%	0.496	54%	0.539	S	S	.	.			trans	-164.3	-99.6	-175.1	0	0	0	0	0	118.1	S946 A947	A213-S946 CarbonylContact C-O 3.33Å; A213-S946 WeakPolarHBondContact CA-O 3.19Å; A213-S946 VanDerWaalsContact N-C 3.28Å; A213-S946 PolarHBondContact N-O 2.88Å; A213-A947 HydrophobicContact CB-CB 3.69Å
214	P	40.4	Very low	37.9	Very low	92 Å²	92	90.9 Å²	90.9	60%	0.597	54%	0.538	S	S	*	.			trans	-96.7	166.9	-144.6	41.1	-35.4	0	0	0	115.8	S946	P214-S946 WeakPolarHBondContact CD-O 3.49Å
215	P	48.4	Very low	38.6	Very low	99 Å²	99	94 Å²	94	64%	0.643	55%	0.552	S	S	*	*			cis	-120.8	-145.2	13.9	25	1.3	0	0	0	112.6
216	T	33.4	Very low	38.6	Very low	96 Å²	96	92.1 Å²	92.1	59%	0.589	56%	0.556	S	S	*	*			cis	-165	157.5	14.3	-26	0	0	0	0	113.3
217	A	33.1	Very low	38.6	Very low	70 Å²	70	90.7 Å²	90.7	58%	0.579	56%	0.556	S	S	*	*			trans	66.5	173.3	152.2	0	0	0	0	0	120.7	L123	L123-A217 WeakPolarHBondContact CD1-O 3.44Å
218	L	35.6	Very low	38.5	Very low	129 Å²	129	89.3 Å²	89.3	68%	0.675	56%	0.561	S	S	*	*			trans	-129.2	-141.9	-170.9	-49.7	172.3	0	0	0	109.6
219	P	52.9	Low	38.2	Very low	96 Å²	96	91.5 Å²	91.5	62%	0.623	57%	0.574	S	S	*	*			cis	-103.3	-79.2	2.1	4.2	18.7	0	0	0	122.3	Q125	Q125-P219 PolarHBondContact NE2-O 2.81Å
220	P	34.7	Very low	37.8	Very low	26 Å²	26	94 Å²	94	17%	0.169	58%	0.576	C	S	.	*				-102	-179.9	-98.9	-1	21.1	0	0	0	119.4	Q125 N126 L127	Q125-P220 PolarHBondContact NE2-O 3.12Å; Q125-P220 WeakPolarHBondContact O-CD 3.16Å; Q125-P220 PolarHBondContact OE1-O 2.86Å; Q125-P220 VanDerWaalsContact OE1-O 3.12Å; N126-P220 HydrophobicContact CB-CB 3.97Å; N126-P220 HydrophobicContact CB-CG 4.1Å; N126-P220 WeakPolarHBondContact CB-O 3.44Å; N126-P220 PolarHBondContact ND2-O 3.02Å; L127-P220 HydrophobicContact CB-CB 4.24Å
221	P	36.1	Very low	37.8	Very low	73 Å²	73	88.1 Å²	88.1	47%	0.474	55%	0.546	S	S	.	.			trans	-113.6	-140.8	-156.6	42.1	-31.5	0	0	0	118.9	N126 L127	N126-P221 PolarHBondContact ND2-O 3.46Å; N126-P221 PolarHBondContact OD1-O 3.21Å; L127-P221 HydrophobicContact CD1-CG 4.41Å; L127-P221 VanDerWaalsContact CD1-O 3.26Å; L127-P221 WeakPolarHBondContact CD1-O 3.41Å
222	P	47.2	Very low	37.7	Very low	82 Å²	82	85 Å²	85	53%	0.532	54%	0.537	S	S	.	.				-112.9	-117.9	-76.9	30.2	-7.9	0	0	0	120.3
223	P	44.8	Very low	37.1	Very low	65 Å²	65	81.6 Å²	81.6	42%	0.422	53%	0.526	S	S	.	.			trans	-100.9	-133.5	-133	18.7	6.3	0	0	0	118.8	R556 D557 V558 D559	P223-R556 WeakPolarHBondContact CD-O 3.47Å; P223-D557 VanDerWaalsContact CD-C 3.43Å; P223-D557 VanDerWaalsContact CD-O 3.3Å; P223-D557 WeakPolarHBondContact CD-O 3.2Å; P223-V558 CarbonylContact O-C 3.47Å; P223-V558 WeakPolarHBondContact O-CA 3.26Å; P223-D559 PolarHBondContact O-N 3.24Å
224	L	35.1	Very low	36.7	Very low	86 Å²	86	82.3 Å²	82.3	45%	0.45	52%	0.519	S	S	.	.			cis	-156.4	167.5	14.1	-84.9	172.6	0	0	0	114.8	V558	L224-V558 HydrophobicContact CB-CG1 4.46Å; L224-V558 HydrophobicContact CD1-CG1 4.03Å
225	T	43.9	Very low	36.4	Very low	111 Å²	111	81.7 Å²	81.7	68%	0.681	52%	0.515	S	S	*	.			trans	34.2	132.1	152.5	-165.9	0	0	0	0	125.7
226	S	34	Very low	36.1	Very low	112 Å²	112	80.9 Å²	80.9	78%	0.783	52%	0.517	S	S	*	.				147.7	157.8	121.9	-63.2	0	0	0	0	117.7
227	G	32.2	Very low	36.1	Very low	61 Å²	61	78.1 Å²	78.1	63%	0.629	51%	0.507	S	S	*	.			trans	86.5	166	163.4	0	0	0	0	0	117.5
228	S	35.4	Very low	36.5	Very low	106 Å²	106	79.5 Å²	79.5	74%	0.741	51%	0.513	S	S	*	.			cis	-162.5	163.7	-3.7	-166.4	0	0	0	0	108
229	L	33.8	Very low	37.2	Very low	95 Å²	95	80 Å²	80	50%	0.497	52%	0.521	S	S	.	.			cis	75.2	141.8	24.1	-68.2	175.7	0	0	0	115.8	L272	L229-L272 HydrophobicContact CD1-CD1 4.46Å; L229-L272 HydrophobicContact CD1-CD2 4.08Å
230	Q	34.8	Very low	36.9	Very low	167 Å²	167	82.3 Å²	82.3	78%	0.78	52%	0.518	S	S	*	.			cis	-130.6	-116.8	20.2	-64.7	177.5	-26.5	0	0	117.3	R887	Q230-R887 PolarHBondContact O-NH1 2.83Å
231	V	32.2	Very low	38.1	Very low	30 Å²	30	83.4 Å²	83.4	18%	0.182	53%	0.527	C	S	.	.			trans	-150.7	-165.2	-159.8	-114.3	0	0	0	0	113.1	R880 L883 H884 R887	V231-R880 PolarHBondContact O-NE 2.64Å; V231-R880 PolarHBondContact O-NH2 3.29Å; V231-L883 HydrophobicContact CG1-CB 4.5Å; V231-L883 WeakPolarHBondContact CG1-O 3.19Å; V231-H884 HydrophobicContact CG1-CB 4.28Å; V231-R887 HydrophobicContact CG1-CB 4.39Å
232	A	30.9	Very low	39.4	Very low	42 Å²	42	88 Å²	88	35%	0.347	54%	0.542	S	S	.	.			cis	-164.1	171	29.1	0	0	0	0	0	116.9	R880 E881 H884	A232-R880 CarbonylContact C-O 3.57Å; A232-E881 WeakPolarHBondContact O-CA 3.48Å; A232-H884 HydrophobicContact CB-CB 3.91Å; A232-H884 WeakPolarHBondContact CB-CD2 3.44Å; A232-H884 VanDerWaalsContact CB-CG 3.44Å
233	G	25.4	Very low	40.3	Very low	15 Å²	15	91.3 Å²	91.3	16%	0.155	55%	0.55	C	S	.	*			trans	146.1	-13.2	165	0	0	0	0	0	125.8	E881	G233-E881 VanDerWaalsContact C-CB 3.48Å; G233-E881 CarbonylContact C-O 3.58Å; G233-E881 WeakPolarHBondContact CA-O 3.17Å; G233-E881 WeakPolarHBondContact CA-OE1 3.45Å; G233-E881 PolarHBondContact N-O 3.45Å
234	H	26.6	Very low	41.7	Very low	76 Å²	76	90 Å²	90	35%	0.352	54%	0.54	S	S	.	.			trans	77.7	171.7	-172.4	-29.8	-62	0	0	0	117.2	E881 R882 M885 E888	H234-E881 PolarHBondContact N-O 2.97Å; H234-E881 CarbonylContact O-C 3.01Å; H234-E881 WeakPolarHBondContact O-CB 3.41Å; H234-R882 VanDerWaalsContact O-CA 3.25Å; H234-R882 WeakPolarHBondContact O-CA 3.15Å; H234-R882 PolarHBondContact O-N 2.92Å; H234-M885 HydrophobicContact CB-CB 3.98Å; H234-M885 HydrophobicContact CB-CG 4.23Å; H234-M885 HydrophobicContact CB-SD 3.76Å; H234-M885 WeakPolarHBondContact ND1-CB 3.13Å; H234-M885 WeakPolarHBondContact ND1-CG 3.31Å; H234-E888 IonicContact CE1-OE1 3.16Å; H234-E888 IonicContact CE1-OE2 3.94Å; H234-E888 PolarHBondContact CE1-OE2 3.13Å; H234-E888 IonicContact ND1-OE2 2.85Å; H234-E888 PolarHBondContact ND1-OE2 3.26Å
235	P	33.7	Very low	43.8	Very low	78 Å²	78	90.3 Å²	90.3	51%	0.506	54%	0.541	S	S	.	.			cis	-128.9	-153.1	1.2	46.8	-30.1	0	0	0	115.9	R882	P235-R882 WeakPolarHBondContact O-CG 3.24Å; P235-R882 PolarHBondContact O-NH1 3.07Å; P235-R882 VanDerWaalsContact O-NH1 3.13Å
236	A	42.3	Very low	45.9	Very low	83 Å²	83	89.4 Å²	89.4	69%	0.686	53%	0.531	S	S	*	.			trans	-66.1	157.5	-173.9	0	0	0	0	0	115.6
237	G	34.1	Very low	48.3	Very low	37 Å²	37	92 Å²	92	38%	0.381	52%	0.524	S	S	.	.			trans	-177.6	98.8	-176.7	0	0	0	0	0	113.1	R882	G237-R882 VanDerWaalsContact CA-NH1 3.32Å; G237-R882 PolarHBondContact O-NH2 2.78Å
238	S	41.2	Very low	50.7	Low	100 Å²	100	94.5 Å²	94.5	70%	0.699	52%	0.519	S	S	*	.			trans	44.9	117.6	172.6	-148.1	0	0	0	0	118.7	Y240	S238-Y240 VanDerWaalsContact C-N 3.32Å; S238-Y240 PolarHBondContact O-N 3.49Å
239	T	49.6	Very low	53.3	Low	139 Å²	139	93 Å²	93	85%	0.853	50%	0.501	S	S	*	.			trans	-61.2	94.7	151.8	47.3	0	0	0	0	108.6	S241	T239-S241 PolarHBondContact O-N 2.98Å
240	Y	46.1	Very low	55.9	Low	144 Å²	144	94 Å²	94	57%	0.565	51%	0.506	S	S	*	.			trans	-53	136.5	169	-92.7	-59.7	0	0	0	109.4	S238 D244 I245	S238-Y240 VanDerWaalsContact C-N 3.32Å; S238-Y240 PolarHBondContact O-N 3.49Å; Y240-D244 HydrophobicContact CD1-CB 3.36Å; Y240-D244 HydrophobicContact CE1-CB 4.13Å; Y240-D244 HydrophobicContact CG-CB 3.96Å; Y240-I245 VanDerWaalsContact O-CD1 3.27Å; Y240-I245 WeakPolarHBondContact O-CD1 3.39Å
241	S	60.5	Low	58.1	Low	50 Å²	50	90.6 Å²	90.6	35%	0.35	49%	0.493	S	S	.	.			trans	-65.7	159.9	-179.6	73.3	0	0	0	0	110.5	T239 Q243 D244 I245	T239-S241 PolarHBondContact O-N 2.98Å; S241-Q243 PolarHBondContact O-N 3Å; S241-Q243 VanDerWaalsContact O-N 3.1Å; S241-Q243 PolarHBondContact OG-N 2.88Å; S241-D244 WeakPolarHBondContact CB-OD2 3.35Å; S241-D244 PolarHBondContact N-OD2 2.86Å; S241-D244 CarbonylContact O-C 3.13Å; S241-D244 WeakPolarHBondContact O-CA 3.11Å; S241-D244 WeakPolarHBondContact O-CB 3.34Å; S241-D244 PolarHBondContact O-N 3.07Å; S241-D244 PolarHBondContact OG-N 2.96Å; S241-D244 VanDerWaalsContact OG-N 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.04Å; S241-I245 WeakPolarHBondContact O-CD1 2.95Å; S241-I245 PolarHBondContact O-N 3.06Å
242	E	64.7	Low	60.4	Low	168 Å²	168	93.3 Å²	93.3	79%	0.785	51%	0.51	S	S	*	.	H	α-helix	trans	-56	-29.4	171.4	-68.4	-173.7	120.2	0	0	111.8	D244 I245 L246	E242-D244 VanDerWaalsContact C-N 3.29Å; E242-D244 PolarHBondContact O-N 2.78Å; E242-I245 PolarHBondContact O-N 2.99Å; E242-L246 VanDerWaalsContact O-CB 3.29Å; E242-L246 WeakPolarHBondContact O-CB 3.43Å; E242-L246 WeakPolarHBondContact O-CD1 3.45Å; E242-L246 WeakPolarHBondContact O-CG 3.32Å; E242-L246 PolarHBondContact O-N 3.33Å
243	Q	65.1	Low	63	Low	152 Å²	152	98.5 Å²	98.5	71%	0.71	52%	0.52	S	S	*	.	H	α-helix	trans	-67.9	-29	173.5	-57.8	-172.5	-0.1	0	0	112.4	S241 R247	S241-Q243 PolarHBondContact O-N 3Å; S241-Q243 VanDerWaalsContact O-N 3.1Å; S241-Q243 PolarHBondContact OG-N 2.88Å; Q243-R247 WeakPolarHBondContact O-CB 3.46Å; Q243-R247 WeakPolarHBondContact O-CG 3.43Å; Q243-R247 PolarHBondContact O-N 3.27Å
244	D	74.2	Confident	65.6	Low	37 Å²	37	102.7 Å²	102.7	20%	0.198	54%	0.535	C	S	.	.	H	α-helix	trans	-83.7	-35.1	175	-62.2	-58.1	0	0	0	112.8	Y240 S241 E242 L246 R247 Q248	Y240-D244 HydrophobicContact CD1-CB 3.36Å; Y240-D244 HydrophobicContact CE1-CB 4.13Å; Y240-D244 HydrophobicContact CG-CB 3.96Å; S241-D244 WeakPolarHBondContact CB-OD2 3.35Å; S241-D244 PolarHBondContact N-OD2 2.86Å; S241-D244 CarbonylContact O-C 3.13Å; S241-D244 WeakPolarHBondContact O-CA 3.11Å; S241-D244 WeakPolarHBondContact O-CB 3.34Å; S241-D244 PolarHBondContact O-N 3.07Å; S241-D244 PolarHBondContact OG-N 2.96Å; S241-D244 VanDerWaalsContact OG-N 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.04Å; E242-D244 VanDerWaalsContact C-N 3.29Å; E242-D244 PolarHBondContact O-N 2.78Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 2.95Å; D244-R247 PolarHBondContact O-N 2.83Å; D244-R247 IonicContact OD1-CZ 3.75Å; D244-R247 IonicContact OD1-NH1 2.67Å; D244-R247 PolarHBondContact OD1-NH1 2.75Å; D244-Q248 WeakPolarHBondContact O-CB 3.5Å; D244-Q248 PolarHBondContact O-N 2.85Å
245	I	79.6	Confident	68.1	Low	94 Å²	94	104.1 Å²	104.1	48%	0.482	54%	0.544	S	S	.	.	H	α-helix	trans	-57.8	-47.3	165.4	-78.9	74.5	0	0	0	108.5	Y240 S241 E242 Q248 E249	Y240-I245 VanDerWaalsContact O-CD1 3.27Å; Y240-I245 WeakPolarHBondContact O-CD1 3.39Å; S241-I245 WeakPolarHBondContact O-CD1 2.95Å; S241-I245 PolarHBondContact O-N 3.06Å; E242-I245 PolarHBondContact O-N 2.99Å; I245-Q248 PolarHBondContact O-N 3.02Å; I245-E249 WeakPolarHBondContact O-CB 3.45Å; I245-E249 PolarHBondContact O-N 3.32Å
246	L	87.8	Confident	69.3	Low	91 Å²	91	103.1 Å²	103.1	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-38.3	177.7	-71.6	166.9	0	0	0	112.7	E242 D244 L250	E242-L246 VanDerWaalsContact O-CB 3.29Å; E242-L246 WeakPolarHBondContact O-CB 3.43Å; E242-L246 WeakPolarHBondContact O-CD1 3.45Å; E242-L246 WeakPolarHBondContact O-CG 3.32Å; E242-L246 PolarHBondContact O-N 3.33Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 2.95Å; L246-L250 WeakPolarHBondContact O-CB 3.29Å; L246-L250 WeakPolarHBondContact O-CD1 2.91Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.02Å
247	R	85.2	Confident	70.4	Confident	168 Å²	168	101.6 Å²	101.6	63%	0.634	53%	0.527	S	S	*	.	H	α-helix	trans	-63.8	-44.1	172.1	-77.6	167.2	71.3	-124.5	-3.1	111.5	Q243 D244 N251	Q243-R247 WeakPolarHBondContact O-CB 3.46Å; Q243-R247 WeakPolarHBondContact O-CG 3.43Å; Q243-R247 PolarHBondContact O-N 3.27Å; D244-R247 PolarHBondContact O-N 2.83Å; D244-R247 IonicContact OD1-CZ 3.75Å; D244-R247 IonicContact OD1-NH1 2.67Å; D244-R247 PolarHBondContact OD1-NH1 2.75Å; R247-N251 WeakPolarHBondContact O-CB 3.39Å; R247-N251 PolarHBondContact O-N 2.82Å
248	Q	82.5	Confident	71.5	Confident	113 Å²	113	105.4 Å²	105.4	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-72.4	-35.7	-179.2	-175.9	164.7	-17.9	0	0	111.7	D244 I245 T252	D244-Q248 WeakPolarHBondContact O-CB 3.5Å; D244-Q248 PolarHBondContact O-N 2.85Å; I245-Q248 PolarHBondContact O-N 3.02Å; Q248-T252 WeakPolarHBondContact O-CB 3.22Å; Q248-T252 PolarHBondContact O-N 2.83Å; Q248-T252 PolarHBondContact O-OG1 3.48Å
249	E	88.2	Confident	72.2	Confident	74 Å²	74	104.6 Å²	104.6	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-48.2	171.7	-172.5	-172.2	-176.1	0	0	110.7	I245 N251 T252 R253	I245-E249 WeakPolarHBondContact O-CB 3.45Å; I245-E249 PolarHBondContact O-N 3.32Å; E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 2.65Å; E249-T252 PolarHBondContact O-N 3.1Å; E249-R253 HydrophobicContact CG-CG 4.39Å; E249-R253 VanDerWaalsContact O-CB 3.29Å; E249-R253 WeakPolarHBondContact O-CB 3.28Å; E249-R253 VanDerWaalsContact O-CG 3.25Å; E249-R253 WeakPolarHBondContact O-CG 3.04Å; E249-R253 PolarHBondContact O-N 3.33Å; E249-R253 IonicContact OE1-CZ 3.14Å; E249-R253 IonicContact OE1-NE 2.83Å; E249-R253 PolarHBondContact OE1-NE 3.03Å; E249-R253 IonicContact OE1-NH2 2.65Å; E249-R253 PolarHBondContact OE1-NH2 2.79Å
250	L	89.4	Confident	72.5	Confident	116 Å²	116	101.4 Å²	101.4	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-37.4	176.1	-73.7	169.5	0	0	0	111.7	L246 F254	L246-L250 WeakPolarHBondContact O-CB 3.29Å; L246-L250 WeakPolarHBondContact O-CD1 2.91Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.02Å; L250-F254 WeakPolarHBondContact O-CB 3.42Å; L250-F254 PolarHBondContact O-N 3.32Å
251	N	80.9	Confident	72.7	Confident	95 Å²	95	97.5 Å²	97.5	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-45	174.6	-166.9	-6.7	0	0	0	111.3	R247 E249 R253 F254 L255	R247-N251 WeakPolarHBondContact O-CB 3.39Å; R247-N251 PolarHBondContact O-N 2.82Å; E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 2.65Å; N251-R253 PolarHBondContact O-N 3.21Å; N251-F254 WeakPolarHBondContact O-CB 3.42Å; N251-F254 PolarHBondContact O-N 3.11Å; N251-F254 VanDerWaalsContact O-N 3.13Å; N251-L255 WeakPolarHBondContact O-CD1 3.06Å; N251-L255 PolarHBondContact O-N 2.85Å; N251-L255 WeakPolarHBondContact OD1-CD1 3.45Å
252	T	81.1	Confident	71.9	Confident	88 Å²	88	106.7 Å²	106.7	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-61.3	-45.5	174.6	-59.5	0	0	0	0	111.4	Q248 E249 F254 L255 A256	Q248-T252 WeakPolarHBondContact O-CB 3.22Å; Q248-T252 PolarHBondContact O-N 2.83Å; Q248-T252 PolarHBondContact O-OG1 3.48Å; E249-T252 PolarHBondContact O-N 3.1Å; T252-F254 VanDerWaalsContact C-N 3.32Å; T252-F254 PolarHBondContact O-N 2.83Å; T252-L255 PolarHBondContact O-N 3.49Å; T252-A256 VanDerWaalsContact O-CB 3.26Å; T252-A256 WeakPolarHBondContact O-CB 3.47Å; T252-A256 PolarHBondContact O-N 2.73Å
253	R	85.1	Confident	71.2	Confident	150 Å²	150	101.7 Å²	101.7	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-35.1	173.7	-71.9	172.9	179.7	-108.7	10	111.5	E249 N251 S257	E249-R253 HydrophobicContact CG-CG 4.39Å; E249-R253 VanDerWaalsContact O-CB 3.29Å; E249-R253 WeakPolarHBondContact O-CB 3.28Å; E249-R253 VanDerWaalsContact O-CG 3.25Å; E249-R253 WeakPolarHBondContact O-CG 3.04Å; E249-R253 PolarHBondContact O-N 3.33Å; E249-R253 IonicContact OE1-CZ 3.14Å; E249-R253 IonicContact OE1-NE 2.83Å; E249-R253 PolarHBondContact OE1-NE 3.03Å; E249-R253 IonicContact OE1-NH2 2.65Å; E249-R253 PolarHBondContact OE1-NH2 2.79Å; N251-R253 PolarHBondContact O-N 3.21Å; R253-S257 WeakPolarHBondContact O-CB 3.15Å; R253-S257 PolarHBondContact O-N 3.48Å; R253-S257 PolarHBondContact O-OG 3.45Å
254	F	78.9	Confident	70	Confident	104 Å²	104	98.8 Å²	98.8	46%	0.456	53%	0.529	S	S	.	.	H	α-helix	trans	-71.6	-38.3	177.5	-176.4	-106.4	0	0	0	112.9	L250 N251 T252 Q258	L250-F254 WeakPolarHBondContact O-CB 3.42Å; L250-F254 PolarHBondContact O-N 3.32Å; N251-F254 WeakPolarHBondContact O-CB 3.42Å; N251-F254 PolarHBondContact O-N 3.11Å; N251-F254 VanDerWaalsContact O-N 3.13Å; T252-F254 VanDerWaalsContact C-N 3.32Å; T252-F254 PolarHBondContact O-N 2.83Å; F254-Q258 VanDerWaalsContact CE1-NE2 3.29Å; F254-Q258 WeakPolarHBondContact O-CG 3.21Å; F254-Q258 PolarHBondContact O-N 3.34Å
255	L	79.8	Confident	68.3	Low	106 Å²	106	101.9 Å²	101.9	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-46	170.6	-93.3	68.1	0	0	0	111.4	N251 T252 S257 Q258 S259	N251-L255 WeakPolarHBondContact O-CD1 3.06Å; N251-L255 PolarHBondContact O-N 2.85Å; N251-L255 WeakPolarHBondContact OD1-CD1 3.45Å; T252-L255 PolarHBondContact O-N 3.49Å; L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 2.91Å; L255-Q258 PolarHBondContact O-N 3.49Å; L255-Q258 VanDerWaalsContact O-N 3.09Å; L255-S259 PolarHBondContact O-N 3.06Å
256	A	59.2	Low	66.3	Low	57 Å²	57	105 Å²	105	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-31.6	178.1	0	0	0	0	0	113	T252 Q258 S259	T252-A256 VanDerWaalsContact O-CB 3.26Å; T252-A256 WeakPolarHBondContact O-CB 3.47Å; T252-A256 PolarHBondContact O-N 2.73Å; A256-Q258 VanDerWaalsContact C-N 3.33Å; A256-S259 PolarHBondContact O-OG 3.31Å; A256-S259 VanDerWaalsContact O-OG 3.09Å
257	S	65.4	Low	63.9	Low	50 Å²	50	103.7 Å²	103.7	35%	0.35	58%	0.578	S	S	.	*	H	α-helix	trans	-74.9	-21.7	175.2	-58.7	0	0	0	0	113.1	R253 L255	R253-S257 WeakPolarHBondContact O-CB 3.15Å; R253-S257 PolarHBondContact O-N 3.48Å; R253-S257 PolarHBondContact O-OG 3.45Å; L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 2.91Å
258	Q	58.2	Low	62.1	Low	117 Å²	117	101 Å²	101	55%	0.547	58%	0.583	S	S	.	*	H	α-helix	trans	-79	-29.7	175.1	-80.1	-176.1	78.6	0	0	113.3	F254 L255 A256	F254-Q258 VanDerWaalsContact CE1-NE2 3.29Å; F254-Q258 WeakPolarHBondContact O-CG 3.21Å; F254-Q258 PolarHBondContact O-N 3.34Å; L255-Q258 PolarHBondContact O-N 3.49Å; L255-Q258 VanDerWaalsContact O-N 3.09Å; A256-Q258 VanDerWaalsContact C-N 3.33Å
259	S	54.4	Low	60.2	Low	84 Å²	84	100.9 Å²	100.9	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-77.5	-26	-179.3	57.5	0	0	0	0	114.1	L255 A256	L255-S259 PolarHBondContact O-N 3.06Å; A256-S259 PolarHBondContact O-OG 3.31Å; A256-S259 VanDerWaalsContact O-OG 3.09Å
260	A	56.8	Low	58.1	Low	71 Å²	71	102.2 Å²	102.2	59%	0.587	61%	0.606	S	S	*	*	H	α-helix	trans	-72.2	-32.6	-176.7	0	0	0	0	0	114.4	R262 G263	A260-R262 VanDerWaalsContact C-N 3.28Å; A260-R262 PolarHBondContact O-N 2.64Å; A260-R262 VanDerWaalsContact O-N 3.12Å; A260-G263 PolarHBondContact O-N 3.36Å
261	D	50.4	Low	55.8	Low	62 Å²	62	107.6 Å²	107.6	33%	0.332	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	19.9	-156.4	-163.3	10.5	0	0	0	115.1	H391 K394	D261-H391 IonicContact OD2-ND1 2.94Å; D261-K394 PolarHBondContact O-NZ 3.04Å; D261-K394 WeakPolarHBondContact OD1-CD 3.31Å; D261-K394 IonicContact OD1-NZ 3.8Å; D261-K394 PolarHBondContact OD1-NZ 3.38Å; D261-K394 WeakPolarHBondContact OD2-CD 3.26Å; D261-K394 WeakPolarHBondContact OD2-CE 3.41Å; D261-K394 IonicContact OD2-NZ 3.76Å; D261-K394 PolarHBondContact OD2-NZ 2.82Å
262	R	42.7	Very low	54.1	Low	243 Å²	243	108.6 Å²	108.6	92%	0.917	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.7	38.8	151.8	-82.9	-152.5	179.2	166.3	3.9	113.5	A260 A264	A260-R262 VanDerWaalsContact C-N 3.28Å; A260-R262 PolarHBondContact O-N 2.64Å; A260-R262 VanDerWaalsContact O-N 3.12Å; R262-A264 PolarHBondContact O-N 3.16Å
263	G	50.8	Low	52.2	Low	64 Å²	64	114.3 Å²	114.3	66%	0.66	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.1	19.5	148.1	0	0	0	0	0	118.2	A260 S265	A260-G263 PolarHBondContact O-N 3.36Å; G263-S265 PolarHBondContact O-N 2.81Å
264	A	39.6	Very low	50.2	Low	91 Å²	91	110.4 Å²	110.4	75%	0.752	63%	0.629	S	S	*	*			trans	-75.8	98.4	164.2	0	0	0	0	0	109	R262 L266	R262-A264 PolarHBondContact O-N 3.16Å; A264-L266 PolarHBondContact O-N 3.35Å
265	S	38.2	Very low	48.1	Very low	101 Å²	101	109.3 Å²	109.3	71%	0.706	63%	0.626	S	S	*	*			trans	-80.5	114.5	-170.8	170.6	0	0	0	0	113.2	G263	G263-S265 PolarHBondContact O-N 2.81Å
266	L	38.8	Very low	46.2	Very low	161 Å²	161	107.9 Å²	107.9	84%	0.843	62%	0.615	S	S	*	*			trans	71.2	158.5	161.2	-59	169.4	0	0	0	116.2	A264	A264-L266 PolarHBondContact O-N 3.35Å
267	G	35.4	Very low	45.4	Very low	63 Å²	63	111.6 Å²	111.6	65%	0.649	62%	0.622	S	S	*	*			cis	-139.6	171.3	7.6	0	0	0	0	0	115.5
268	P	48.3	Very low	44.1	Very low	112 Å²	112	114.8 Å²	114.8	73%	0.727	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-73.6	159.4	178.6	32.1	-36.1	0	0	0	112.7
269	P	42.8	Very low	43.4	Very low	109 Å²	109	117.2 Å²	117.2	71%	0.708	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.3	156.1	178	28.4	-35.5	0	0	0	113.2
270	P	44	Very low	42.4	Very low	102 Å²	102	119.7 Å²	119.7	66%	0.662	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-79.3	135.1	-170.7	30.8	-35.2	0	0	0	114
271	Y	41.5	Very low	41.9	Very low	230 Å²	230	123.6 Å²	123.6	90%	0.902	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-81.1	151.8	165	-74	-93.8	0	0	0	111.4
272	L	44.5	Very low	41.2	Very low	115 Å²	115	128.9 Å²	128.9	60%	0.602	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-78.7	125.4	175.9	-71.5	170.9	0	0	0	112.4	L229	L229-L272 HydrophobicContact CD1-CD1 4.46Å; L229-L272 HydrophobicContact CD1-CD2 4.08Å
273	R	41.5	Very low	41.3	Very low	209 Å²	209	124.5 Å²	124.5	79%	0.789	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.6	161.7	154.5	-101.4	-174.4	103.5	152.2	5.9	110.8
274	T	42.6	Very low	40.7	Very low	68 Å²	68	130.6 Å²	130.6	42%	0.417	67%	0.674	S	S	.	*			cis	-152.6	156.4	-23.2	-13.2	0	0	0	0	105	H899	T274-H899 PolarHBondContact O-NE2 3.1Å
275	E	35.5	Very low	41	Very low	80 Å²	80	133.3 Å²	133.3	37%	0.374	67%	0.671	S	S	.	*			trans	-131.4	158.2	148.7	-95.4	-168.7	-51.2	0	0	108.2	S897 V898 H899	E275-S897 VanDerWaalsContact CD-C 3.43Å; E275-S897 WeakPolarHBondContact OE1-CA 3.4Å; E275-V898 WeakPolarHBondContact CB-O 3.05Å; E275-V898 VanDerWaalsContact CD-C 3.42Å; E275-V898 PolarHBondContact OE1-N 3.44Å; E275-V898 VanDerWaalsContact OE2-CA 3.32Å; E275-V898 WeakPolarHBondContact OE2-CA 3.25Å; E275-V898 PolarHBondContact OE2-N 3.24Å; E275-H899 HydrophobicContact CG-CB 4.3Å; E275-H899 PolarHBondContact OE2-N 2.87Å
276	F	39.1	Very low	41.2	Very low	77 Å²	77	135 Å²	135	34%	0.338	68%	0.677	S	S	.	*			trans	-132.9	133.6	-143.9	-178.5	-45.5	0	0	0	109.1	Q278 V898 P900	F276-Q278 HydrophobicContact CD1-CB 4.46Å; F276-Q278 HydrophobicContact CE1-CB 3.91Å; F276-Q278 HydrophobicContact CE1-CG 4.1Å; F276-V898 PolarHBondContact N-O 3.26Å; F276-V898 VanDerWaalsContact O-O 3.09Å; F276-P900 WeakPolarHBondContact CB-O 3.18Å; F276-P900 HydrophobicContact CD1-CG 3.81Å; F276-P900 WeakPolarHBondContact CD2-O 3.18Å; F276-P900 HydrophobicContact CE1-CG 4.07Å; F276-P900 HydrophobicContact CG-CG 4.39Å; F276-P900 VanDerWaalsContact CG-O 3.28Å; F276-P900 WeakPolarHBondContact CG-O 2.98Å; F276-P900 WeakPolarHBondContact O-CD 3.42Å
277	H	43.6	Very low	41.2	Very low	134 Å²	134	135 Å²	135	62%	0.62	67%	0.673	S	S	*	*			trans	-127.1	129.2	168.6	-75.7	76.8	0	0	0	110
278	Q	37.8	Very low	41.4	Very low	118 Å²	118	141.3 Å²	141.3	55%	0.551	69%	0.686	S	S	*	*			trans	-96.8	127.7	-171.9	-158.5	-179.9	105.6	0	0	109.8	F276	F276-Q278 HydrophobicContact CD1-CB 4.46Å; F276-Q278 HydrophobicContact CE1-CB 3.91Å; F276-Q278 HydrophobicContact CE1-CG 4.1Å
279	H	43.1	Very low	41	Very low	168 Å²	168	143 Å²	143	78%	0.778	68%	0.683	S	S	*	*			trans	-122	108.2	174.1	-70.2	-19.2	0	0	0	110
280	Q	33.5	Very low	40.7	Very low	136 Å²	136	144.4 Å²	144.4	64%	0.636	69%	0.69	S	S	*	*			trans	-102.4	114.9	-176.2	-130.9	-81.2	23.9	0	0	108.1
281	H	46.3	Very low	40.6	Very low	153 Å²	153	146.7 Å²	146.7	71%	0.708	69%	0.692	S	S	*	*			trans	-134.4	101.8	175.8	-72.2	-24.2	0	0	0	110.2
282	Q	36.2	Very low	40.5	Very low	173 Å²	173	144 Å²	144	81%	0.808	69%	0.688	S	S	*	*			trans	-76.6	132.1	158.4	-72.6	-175.5	-23.1	0	0	109.4
283	H	44.6	Very low	40.3	Very low	151 Å²	151	146.1 Å²	146.1	70%	0.699	69%	0.694	S	S	*	*			trans	-110	116.6	164.7	-67.4	-47.7	0	0	0	108.8
284	Q	37.5	Very low	39.7	Very low	191 Å²	191	143.1 Å²	143.1	89%	0.893	70%	0.699	S	S	*	*			trans	-102.8	118.8	164.4	-173.1	158.3	45.8	0	0	108.8
285	H	45.7	Very low	39.3	Very low	148 Å²	148	148.5 Å²	148.5	69%	0.685	72%	0.717	S	S	*	*			trans	-84.5	134.9	178.1	-66	-83.9	0	0	0	110.7
286	T	42	Very low	39.5	Very low	136 Å²	136	150 Å²	150	83%	0.834	73%	0.732	S	S	*	*			trans	-114.3	133.5	158.2	56.4	0	0	0	0	108.2
287	H	39.5	Very low	40.5	Very low	162 Å²	162	152 Å²	152	75%	0.75	75%	0.752	S	S	*	*			trans	-110.8	132.6	175.8	-76.7	-74.1	0	0	0	109.6
288	Q	38.9	Very low	40.1	Very low	196 Å²	196	154.9 Å²	154.9	92%	0.916	76%	0.763	S	S	*	*			trans	-139.8	139.6	159.7	-167.5	175.3	99.1	0	0	108.5
289	H	40.6	Very low	41.2	Very low	146 Å²	146	153.6 Å²	153.6	68%	0.676	77%	0.765	S	S	*	*			trans	-104.7	149.2	-175	-66.7	-105.2	0	0	0	111.5
290	T	37.8	Very low	41	Very low	140 Å²	140	154.2 Å²	154.2	86%	0.859	77%	0.768	S	S	*	*			trans	-152.2	144.8	153.2	177.6	0	0	0	0	109.4
291	H	40.6	Very low	40.9	Very low	149 Å²	149	151.7 Å²	151.7	69%	0.69	77%	0.771	S	S	*	*			trans	-129.2	154	-176.9	-69.9	-101.3	0	0	0	109.3
292	Q	38.8	Very low	40.4	Very low	175 Å²	175	152.1 Å²	152.1	82%	0.818	78%	0.777	S	S	*	*			trans	-172.9	169.7	144	-100.2	-62.4	3.6	0	0	110.4
293	H	40.6	Very low	41.6	Very low	159 Å²	159	149.4 Å²	149.4	74%	0.736	77%	0.774	S	S	*	*			trans	-112	176.9	-159.1	-64.6	-94.4	0	0	0	117
294	T	29.2	Very low	42.3	Very low	145 Å²	145	146.9 Å²	146.9	89%	0.89	77%	0.771	S	S	*	*			trans	-151.6	170.3	179.2	-57.3	0	0	0	0	110.1
295	F	34.6	Very low	42.3	Very low	182 Å²	182	143.2 Å²	143.2	80%	0.798	76%	0.762	S	S	*	*			trans	-140.4	164.1	-163.2	-164.4	-103.3	0	0	0	114.9	P297	F295-P297 HydrophobicContact CE1-CG 4.49Å
296	T	39.4	Very low	41.8	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	76%	0.759	S	S	*	*			trans	-145.8	158.1	178.8	55.2	0	0	0	0	111.8
297	P	60.3	Low	41.6	Very low	119 Å²	119	141.4 Å²	141.4	77%	0.773	76%	0.761	S	S	*	*			trans	-148.5	-170.7	142.5	32.2	-10.7	0	0	0	117.1	F295	F295-P297 HydrophobicContact CE1-CG 4.49Å
298	F	35.7	Very low	41.5	Very low	194 Å²	194	140.4 Å²	140.4	85%	0.851	76%	0.758	S	S	*	*			trans	-133.2	-158.4	-159.5	-92.1	-77.8	0	0	0	111.7
299	P	59.8	Low	42.1	Very low	92 Å²	92	136.8 Å²	136.8	60%	0.597	75%	0.752	S	S	*	*				-142.5	-176.6	-51	39.9	-21.6	0	0	0	118.8
300	H	39.2	Very low	41.9	Very low	180 Å²	180	136.3 Å²	136.3	83%	0.833	76%	0.759	S	S	*	*			trans	92.3	118.3	140.9	-72.7	136.4	0	0	0	128.2
301	A	31.9	Very low	42.2	Very low	84 Å²	84	135.1 Å²	135.1	69%	0.694	75%	0.754	S	S	*	*				100.5	122.1	120.3	0	0	0	0	0	127.8
302	I	36.1	Very low	41.7	Very low	162 Å²	162	132.4 Å²	132.4	83%	0.831	76%	0.757	S	S	*	*			trans	78	0	139.2	-73.8	171.4	0	0	0	118.4
303	P	61.3	Low	42.8	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	76%	0.756	S	S	*	*				0	-103.4	0	24.4	4.6	0	0	0	121.7
304	P	59.7	Low	43.7	Very low	98 Å²	98	127.6 Å²	127.6	64%	0.636	76%	0.755	S	S	*	*				-146.8	-170.1	-129.3	49.3	-27.7	0	0	0	122.6
305	T	37.2	Very low	44	Very low	114 Å²	114	128.4 Å²	128.4	70%	0.699	75%	0.751	S	S	*	*			trans	69.4	159.7	153.9	51.2	0	0	0	0	123.4	P790	T305-P790 VanDerWaalsContact O-CG 3.22Å; T305-P790 WeakPolarHBondContact O-CG 3.29Å
306	A	35.3	Very low	44.1	Very low	76 Å²	76	126.3 Å²	126.3	63%	0.628	74%	0.742	S	S	*	*			cis	-177.7	172.3	-27.7	0	0	0	0	0	114.6
307	I	36.9	Very low	44.1	Very low	170 Å²	170	127.7 Å²	127.7	87%	0.872	75%	0.745	S	S	*	*			trans	74.9	142.9	168	-50.6	174.5	0	0	0	119
308	M	38.1	Very low	42.9	Very low	141 Å²	141	128.3 Å²	128.3	70%	0.695	74%	0.735	S	S	*	*			trans	-152.6	156.2	174.2	-70.2	-170.4	72.1	0	0	115.4	P792	M308-P792 HydrophobicContact CE-CB 3.59Å; M308-P792 HydrophobicContact CE-CG 4.14Å; M308-P792 HydrophobicContact SD-CB 3.93Å
309	P	51.9	Low	43.1	Very low	119 Å²	119	128.8 Å²	128.8	77%	0.773	73%	0.733	S	S	*	*			trans	-128.2	171.9	177.2	43	-30.6	0	0	0	117.8
310	T	35.9	Very low	42.9	Very low	136 Å²	136	129.3 Å²	129.3	83%	0.834	74%	0.736	S	S	*	*			trans	-154.8	-168.3	174.9	63.2	0	0	0	0	110.1
311	P	43.5	Very low	42.9	Very low	116 Å²	116	126.3 Å²	126.3	75%	0.753	73%	0.731	S	S	*	*			cis	-141	-172.2	-8.3	44.1	-24.6	0	0	0	117.6
312	A	29.3	Very low	43.2	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	73%	0.732	S	S	*	*			trans	62.5	116.4	145.5	0	0	0	0	0	125.6
313	P	62.8	Low	43.2	Very low	123 Å²	123	129.5 Å²	129.5	80%	0.799	74%	0.736	S	S	*	*			trans	-105.4	-160.5	154.7	43.1	-34.1	0	0	0	111.1
314	P	60.2	Low	41.8	Very low	111 Å²	111	130.5 Å²	130.5	72%	0.721	74%	0.735	S	S	*	*			cis	-136	-155.3	-3.1	45	-25.4	0	0	0	114.7
315	M	35.1	Very low	41.3	Very low	162 Å²	162	130.5 Å²	130.5	80%	0.798	74%	0.735	S	S	*	*			trans	-134.8	171.2	166.2	-72.4	-146.4	-56	0	0	113.9
316	F	35.7	Very low	41.2	Very low	137 Å²	137	134.5 Å²	134.5	60%	0.601	74%	0.743	S	S	*	*			trans	-125.7	161.8	-150.4	24.4	-106	0	0	0	114
317	D	39.7	Very low	41.1	Very low	141 Å²	141	138.5 Å²	138.5	75%	0.754	74%	0.743	S	S	*	*			trans	-174.1	142.8	132.9	-89.9	-22.2	0	0	0	109.7
318	K	34.7	Very low	41.1	Very low	131 Å²	131	138.9 Å²	138.9	57%	0.57	73%	0.733	S	S	*	*			cis	79.4	134.1	32.5	-60.2	176.4	-171.7	162.5	0	113.4
319	Y	40.3	Very low	40.9	Very low	204 Å²	204	139 Å²	139	80%	0.8	73%	0.732	S	S	*	*			cis	-155.8	166.9	-9	-103.1	-44.6	0	0	0	109.3
320	P	56.6	Low	39.7	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	73%	0.725	S	S	*	*			trans	-91.6	176.4	-177.4	38.4	-37.6	0	0	0	114.3
321	T	38.2	Very low	39.6	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	73%	0.73	S	S	*	*			trans	-149.4	105.2	165.9	-78.3	0	0	0	0	107.5
322	K	38	Very low	39	Very low	164 Å²	164	141.8 Å²	141.8	71%	0.713	73%	0.727	S	S	*	*				75.7	106.4	78.2	-73.9	172.5	-73.3	177.7	0	113.6
323	V	36.6	Very low	39.1	Very low	149 Å²	149	145.2 Å²	145.2	90%	0.903	73%	0.727	S	S	*	*				-131.4	144.4	128.2	-75	0	0	0	0	107.2
324	D	33.1	Very low	37.3	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	72%	0.723	S	S	*	*			trans	-141.8	-171.6	-156.6	-142.9	19.8	0	0	0	110.2
325	P	47.4	Very low	36.1	Very low	98 Å²	98	149.2 Å²	149.2	64%	0.636	73%	0.729	S	S	*	*				-125	110.8	-124.2	33.3	-10.9	0	0	0	113.5	Y327	P325-Y327 PolarHBondContact O-N 3.41Å
326	F	35.8	Very low	36.2	Very low	198 Å²	198	146.9 Å²	146.9	87%	0.868	73%	0.726	S	S	*	*			trans	-75.8	97.2	178.3	-77.7	-77.3	0	0	0	113
327	Y	33.2	Very low	36.8	Very low	160 Å²	160	145.8 Å²	145.8	63%	0.627	73%	0.733	S	S	*	*				57.2	128.6	121.6	-87.9	-144	0	0	0	118.7	P325	P325-Y327 PolarHBondContact O-N 3.41Å
328	R	37.3	Very low	36.7	Very low	177 Å²	177	143.1 Å²	143.1	67%	0.668	73%	0.731	S	S	*	*			cis	-149.6	140.4	-3.2	-80.7	-159.6	168.2	-172.6	-1.9	112.2
329	H	33.8	Very low	36.9	Very low	145 Å²	145	143.8 Å²	143.8	67%	0.671	75%	0.745	S	S	*	*			trans	12.7	151	132.9	-31.7	102.4	0	0	0	122.3
330	S	26.5	Very low	37	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	75%	0.747	S	S	*	*			trans	84	97	146.4	-65.2	0	0	0	0	119.5
331	L	34.8	Very low	35.9	Very low	179 Å²	179	137.7 Å²	137.7	94%	0.937	74%	0.744	S	S	*	*			trans	-52.8	144.5	133	-72.3	155.6	0	0	0	110.5
332	F	31.1	Very low	36	Very low	160 Å²	160	139.9 Å²	139.9	70%	0.702	75%	0.75	S	S	*	*			trans	-125.2	144.3	172	-77.8	-41.2	0	0	0	108.2
333	H	30.1	Very low	36.1	Very low	163 Å²	163	137.6 Å²	137.6	76%	0.755	75%	0.751	S	S	*	*			cis	-134.9	170.5	-1.5	-76.2	-62.9	0	0	0	110.7
334	S	24.8	Very low	37.1	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	75%	0.746	S	S	*	*			trans	-77.6	143.4	159.7	179.6	0	0	0	0	110.7
335	Y	35.4	Very low	37	Very low	216 Å²	216	138 Å²	138	85%	0.847	75%	0.752	S	S	*	*			trans	176.6	158.5	142.2	-86.2	-57.5	0	0	0	107.5
336	P	37.7	Very low	36.6	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	76%	0.757	S	S	*	*			cis	-110	-179.2	-2.1	41.9	-32.1	0	0	0	112.6
337	P	47.4	Very low	37.4	Very low	115 Å²	115	136 Å²	136	75%	0.747	75%	0.749	S	S	*	*			trans	-77	140.4	157	32	-33.7	0	0	0	112.1
338	A	37.8	Very low	37.9	Very low	85 Å²	85	134.3 Å²	134.3	70%	0.702	76%	0.758	S	S	*	*			trans	138.1	116.2	141.7	0	0	0	0	0	115.7
339	V	38.8	Very low	37.9	Very low	145 Å²	145	132.9 Å²	132.9	88%	0.879	77%	0.769	S	S	*	*			trans	54.8	154.4	149	-57.8	0	0	0	0	121.2
340	S	42.3	Very low	38.3	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	77%	0.772	S	S	*	*			cis	-173.6	156.6	-26.6	-177.8	0	0	0	0	109.9
341	G	34.1	Very low	39.4	Very low	59 Å²	59	130.3 Å²	130.3	61%	0.608	78%	0.776	S	S	*	*			trans	90.6	131.4	165.2	0	0	0	0	0	116.5
342	I	39	Very low	40	Very low	165 Å²	165	131.9 Å²	131.9	85%	0.846	78%	0.776	S	S	*	*			cis	74.1	129.1	45	-60.5	172.5	0	0	0	112
343	P	40.2	Very low	40.6	Very low	115 Å²	115	127.5 Å²	127.5	75%	0.747	78%	0.776	S	S	*	*			cis	-135	-164.9	-16.3	41.3	-20.9	0	0	0	113.4
344	P	58.1	Low	41.8	Very low	123 Å²	123	125.4 Å²	125.4	80%	0.799	78%	0.78	S	S	*	*			trans	-105.6	165.6	-177.5	39.4	-32.8	0	0	0	115.8
345	M	31.8	Very low	43.1	Very low	172 Å²	172	127.1 Å²	127.1	85%	0.847	78%	0.78	S	S	*	*			trans	-155.9	118.5	173	-139.4	179.3	74.4	0	0	118.3
346	I	38.9	Very low	44	Very low	147 Å²	147	125.6 Å²	125.6	75%	0.754	78%	0.781	S	S	*	*			trans	40.8	134.7	135.1	-52.3	176.3	0	0	0	122.3
347	P	52.1	Low	44.6	Very low	107 Å²	107	122.6 Å²	122.6	70%	0.695	77%	0.77	S	S	*	*			trans	-110.4	176.8	179.2	43.6	-37.4	0	0	0	116.8
348	P	44.1	Very low	44.6	Very low	124 Å²	124	120.5 Å²	120.5	81%	0.805	76%	0.762	S	S	*	*			trans	-95.4	177.9	161.7	38.9	-35.2	0	0	0	114
349	T	37.3	Very low	44.9	Very low	147 Å²	147	122.4 Å²	122.4	90%	0.902	76%	0.755	S	S	*	*			trans	-151.5	146.8	-177.4	58.2	0	0	0	0	115.8
350	G	40.9	Very low	45.1	Very low	72 Å²	72	120 Å²	120	74%	0.742	73%	0.734	S	S	*	*			trans	-169.3	158.1	166.9	0	0	0	0	0	111.9
351	P	51.6	Low	45.7	Very low	109 Å²	109	115.6 Å²	115.6	71%	0.708	70%	0.703	S	S	*	*			trans	-140.8	143.8	-141.9	36.8	-16.3	0	0	0	123.8
352	F	46.8	Very low	46.2	Very low	212 Å²	212	120.4 Å²	120.4	93%	0.93	71%	0.707	S	S	*	*			trans	66.2	160.7	151.7	-46.2	-44.4	0	0	0	124.2
353	G	44	Very low	46.6	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	69%	0.689	S	S	*	*			cis	156.4	110.5	-25.4	0	0	0	0	0	122.6
354	S	54.7	Low	46.4	Very low	119 Å²	119	115.1 Å²	115.1	83%	0.832	68%	0.677	S	S	*	*			trans	73.7	164.2	147.7	73.9	0	0	0	0	125.5
355	L	52.8	Low	45.4	Very low	138 Å²	138	112.7 Å²	112.7	72%	0.723	66%	0.657	S	S	*	*			cis	-171.1	141.8	-33.8	-89.6	-176.9	0	0	0	115.4
356	Q	53.9	Low	46.5	Very low	184 Å²	184	109.2 Å²	109.2	86%	0.86	65%	0.647	S	S	*	*			trans	55.4	152.1	139.2	-66.2	168.1	-18.7	0	0	129.5
357	G	49.3	Very low	47.1	Very low	49 Å²	49	111.5 Å²	111.5	51%	0.505	65%	0.652	S	S	.	*			trans	137.9	164.1	145.2	0	0	0	0	0	123.2
358	A	49	Very low	46.8	Very low	71 Å²	71	113 Å²	113	59%	0.587	64%	0.644	S	S	*	*			trans	163.9	-158.1	174.9	0	0	0	0	0	121.1	S740 S741	A358-S740 VanDerWaalsContact CA-CB 3.49Å; A358-S741 WeakPolarHBondContact O-CB 3.43Å; A358-S741 PolarHBondContact O-OG 3.2Å
359	F	42.9	Very low	46.9	Very low	126 Å²	126	113 Å²	113	55%	0.553	64%	0.644	S	S	*	*			trans	125.2	-167.8	169.3	-100.7	-38.4	0	0	0	125.6	S740 V742	F359-S740 WeakPolarHBondContact CE2-O 3.14Å; F359-V742 HydrophobicContact CB-CG1 3.96Å; F359-V742 HydrophobicContact CD2-CG1 4.41Å; F359-V742 HydrophobicContact CD2-CG2 3.91Å
360	Q	42.4	Very low	47	Very low	93 Å²	93	109.5 Å²	109.5	44%	0.435	62%	0.618	S	S	.	*			trans	-150.3	0	-152	-107.2	-115.2	-49.1	0	0	122.1	K373 P374 K376	Q360-K373 CarbonylContact O-C 3.1Å; Q360-K373 WeakPolarHBondContact O-CB 3.44Å; Q360-P374 CarbonylContact C-O 3.32Å; Q360-K376 HydrophobicContact CG-CD 4.47Å; Q360-K376 VanDerWaalsContact NE2-CD 3.31Å; Q360-K376 VanDerWaalsContact NE2-CE 3.29Å
361	P	56.5	Low	47.5	Very low	27 Å²	27	109.1 Å²	109.1	18%	0.175	60%	0.599	C	S	.	*				0	158.1	0	1.4	23.3	0	0	0	128.5	K373 P374 K376	P361-K373 CarbonylContact C-O 3.58Å; P361-K373 VanDerWaalsContact CA-C 3.49Å; P361-K373 WeakPolarHBondContact CA-O 3.07Å; P361-K373 WeakPolarHBondContact CB-O 3.48Å; P361-K373 WeakPolarHBondContact O-CD 3.25Å; P361-K373 PolarHBondContact O-NZ 2.81Å; P361-P374 WeakPolarHBondContact CA-O 3.17Å; P361-P374 VanDerWaalsContact CB-O 3.29Å; P361-P374 WeakPolarHBondContact CB-O 3.14Å; P361-P374 WeakPolarHBondContact CG-O 3.21Å; P361-K376 HydrophobicContact CG-CB 3.74Å; P361-K376 HydrophobicContact CG-CG 4.23Å
362	K	43.8	Very low	47.5	Very low	160 Å²	160	111.9 Å²	111.9	70%	0.696	60%	0.595	S	S	*	*			trans	90.4	134.3	171.5	-56.4	177.9	179.8	179.8	0	121.4	L371 K373	K362-L371 CarbonylContact C-O 3.25Å; K362-K373 VanDerWaalsContact N-N 3.11Å; K362-K373 PolarHBondContact N-O 3.48Å; K362-K373 VanDerWaalsContact N-O 3.13Å; K362-K373 WeakPolarHBondContact O-CD 3.29Å; K362-K373 WeakPolarHBondContact O-CE 3.35Å; K362-K373 WeakPolarHBondContact O-CG 3.41Å
363	L	47	Very low	47.7	Very low	92 Å²	92	107 Å²	107	48%	0.482	57%	0.574	S	S	.	*			cis	-163.5	149.4	0	171.8	66.2	0	0	0	115.2	M370 L371 R372	L363-M370 CarbonylContact C-O 3.16Å; L363-M370 HydrophobicContact CD1-CG 4.33Å; L363-M370 HydrophobicContact CD1-SD 3.6Å; L363-M370 VanDerWaalsContact CD1-SD 3.6Å; L363-L371 CarbonylContact C-O 2.96Å; L363-L371 WeakPolarHBondContact CA-O 3.06Å; L363-L371 PolarHBondContact N-O 3.11Å; L363-R372 HydrophobicContact CB-CG 4.48Å; L363-R372 HydrophobicContact CD1-CG 3.78Å; L363-R372 VanDerWaalsContact CD1-NE 3.35Å
364	T	35.9	Very low	48.1	Very low	78 Å²	78	107.4 Å²	107.4	48%	0.479	56%	0.564	S	S	.	*			trans	154	125.2	155.6	38	0	0	0	0	122.8	M370 L371	T364-M370 VanDerWaalsContact C-CA 3.48Å; T364-M370 VanDerWaalsContact C-CG 3.44Å; T364-M370 PolarHBondContact N-O 2.93Å; T364-M370 CarbonylContact O-C 3.3Å; T364-M370 VanDerWaalsContact O-CA 3.31Å; T364-M370 WeakPolarHBondContact O-CA 3.34Å; T364-L371 VanDerWaalsContact N-N 3.13Å; T364-L371 PolarHBondContact O-N 2.95Å; T364-L371 WeakPolarHBondContact OG1-CB 3.29Å
365	D	37.2	Very low	48.7	Very low	72 Å²	72	103.8 Å²	103.8	39%	0.385	55%	0.545	S	S	.	.			trans	70.6	114.9	174.8	166.2	31.2	0	0	0	122.1	F367 R368 M370	D365-F367 PolarHBondContact O-N 2.82Å; D365-F367 PolarHBondContact OD1-N 3.31Å; D365-R368 HydrophobicContact CB-CB 4.32Å; D365-R368 CarbonylContact O-C 3.5Å; D365-R368 VanDerWaalsContact O-C 3.25Å; D365-R368 WeakPolarHBondContact O-CA 3.2Å; D365-R368 WeakPolarHBondContact O-CB 3.27Å; D365-R368 PolarHBondContact O-N 3.29Å; D365-R368 WeakPolarHBondContact OD2-CD 3.39Å; D365-R368 WeakPolarHBondContact OD2-CG 3.46Å; D365-R368 PolarHBondContact OD2-N 3.25Å; D365-R368 IonicContact OD2-NE 3.76Å; D365-M370 VanDerWaalsContact C-CA 3.49Å; D365-M370 WeakPolarHBondContact O-CA 3.48Å; D365-M370 PolarHBondContact O-N 3.45Å; D365-M370 VanDerWaalsContact O-N 3.11Å
366	P	55.6	Low	49.6	Very low	99 Å²	99	104.5 Å²	104.5	64%	0.643	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.9	-176.9	-18.7	30.6	0	0	0	120.6	R368 M370	P366-R368 CarbonylContact C-O 3.47Å; P366-M370 HydrophobicContact CG-CE 3.82Å
367	F	51.5	Low	50.8	Low	195 Å²	195	103.5 Å²	103.5	86%	0.855	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-4.1	172.9	-95.7	-76	0	0	0	113.7	D365	D365-F367 PolarHBondContact O-N 2.82Å; D365-F367 PolarHBondContact OD1-N 3.31Å
368	R	46	Very low	52.4	Low	138 Å²	138	104 Å²	104	52%	0.521	53%	0.526	S	S	.	.	S	Bend	trans	-80.7	168.4	137.6	-68.5	165.5	-179.8	172	-3.4	107.7	D365 P366 M370	D365-R368 HydrophobicContact CB-CB 4.32Å; D365-R368 CarbonylContact O-C 3.5Å; D365-R368 VanDerWaalsContact O-C 3.25Å; D365-R368 WeakPolarHBondContact O-CA 3.2Å; D365-R368 WeakPolarHBondContact O-CB 3.27Å; D365-R368 PolarHBondContact O-N 3.29Å; D365-R368 WeakPolarHBondContact OD2-CD 3.39Å; D365-R368 WeakPolarHBondContact OD2-CG 3.46Å; D365-R368 PolarHBondContact OD2-N 3.25Å; D365-R368 IonicContact OD2-NE 3.76Å; P366-R368 CarbonylContact C-O 3.47Å; R368-M370 PolarHBondContact O-N 3.06Å
369	P	45.5	Very low	53.8	Low	124 Å²	124	104.7 Å²	104.7	81%	0.805	53%	0.532	S	S	*	.			trans	-70.8	77.6	164.7	-13.4	28.6	0	0	0	108.8	L371	P369-L371 WeakPolarHBondContact O-CA 3.47Å; P369-L371 PolarHBondContact O-N 3.24Å
370	M	40.2	Very low	56	Low	74 Å²	74	104.4 Å²	104.4	37%	0.365	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-7.2	62.4	-165.9	-161	-150.4	-97.7	0	0	117.3	L363 T364 D365 P366 R368 R372	L363-M370 CarbonylContact C-O 3.16Å; L363-M370 HydrophobicContact CD1-CG 4.33Å; L363-M370 HydrophobicContact CD1-SD 3.6Å; L363-M370 VanDerWaalsContact CD1-SD 3.6Å; T364-M370 VanDerWaalsContact C-CA 3.48Å; T364-M370 VanDerWaalsContact C-CG 3.44Å; T364-M370 PolarHBondContact N-O 2.93Å; T364-M370 CarbonylContact O-C 3.3Å; T364-M370 VanDerWaalsContact O-CA 3.31Å; T364-M370 WeakPolarHBondContact O-CA 3.34Å; D365-M370 VanDerWaalsContact C-CA 3.49Å; D365-M370 WeakPolarHBondContact O-CA 3.48Å; D365-M370 PolarHBondContact O-N 3.45Å; D365-M370 VanDerWaalsContact O-N 3.11Å; P366-M370 HydrophobicContact CG-CE 3.82Å; R368-M370 PolarHBondContact O-N 3.06Å; M370-R372 WeakPolarHBondContact O-CG 3.41Å; M370-R372 PolarHBondContact O-N 2.95Å
371	L	50.8	Low	58.4	Low	64 Å²	64	104.7 Å²	104.7	34%	0.335	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-21.1	48.2	-149.5	-142.7	172.4	0	0	0	115.1	K362 L363 T364 P369 K373	K362-L371 CarbonylContact C-O 3.25Å; L363-L371 CarbonylContact C-O 2.96Å; L363-L371 WeakPolarHBondContact CA-O 3.06Å; L363-L371 PolarHBondContact N-O 3.11Å; T364-L371 VanDerWaalsContact N-N 3.13Å; T364-L371 PolarHBondContact O-N 2.95Å; T364-L371 WeakPolarHBondContact OG1-CB 3.29Å; P369-L371 WeakPolarHBondContact O-CA 3.47Å; P369-L371 PolarHBondContact O-N 3.24Å; L371-K373 HydrophobicContact CD2-CG 4.38Å; L371-K373 PolarHBondContact O-N 2.79Å
372	R	51.7	Low	60	Low	166 Å²	166	107.3 Å²	107.3	63%	0.626	55%	0.55	S	S	*	.			trans	-64.9	100.9	161.3	-60.9	-151.5	177.7	-164.3	-4.1	97.5	L363 M370	L363-R372 HydrophobicContact CB-CG 4.48Å; L363-R372 HydrophobicContact CD1-CG 3.78Å; L363-R372 VanDerWaalsContact CD1-NE 3.35Å; M370-R372 WeakPolarHBondContact O-CG 3.41Å; M370-R372 PolarHBondContact O-N 2.95Å
373	K	51.1	Low	62.2	Low	111 Å²	111	104 Å²	104	48%	0.483	54%	0.537	S	S	.	.			trans	-40.9	139.2	169.1	-36.3	151.5	-165.5	153.9	0	103.9	Q360 P361 K362 L371 G375	Q360-K373 CarbonylContact O-C 3.1Å; Q360-K373 WeakPolarHBondContact O-CB 3.44Å; P361-K373 CarbonylContact C-O 3.58Å; P361-K373 VanDerWaalsContact CA-C 3.49Å; P361-K373 WeakPolarHBondContact CA-O 3.07Å; P361-K373 WeakPolarHBondContact CB-O 3.48Å; P361-K373 WeakPolarHBondContact O-CD 3.25Å; P361-K373 PolarHBondContact O-NZ 2.81Å; K362-K373 VanDerWaalsContact N-N 3.11Å; K362-K373 PolarHBondContact N-O 3.48Å; K362-K373 VanDerWaalsContact N-O 3.13Å; K362-K373 WeakPolarHBondContact O-CD 3.29Å; K362-K373 WeakPolarHBondContact O-CE 3.35Å; K362-K373 WeakPolarHBondContact O-CG 3.41Å; L371-K373 HydrophobicContact CD2-CG 4.38Å; L371-K373 PolarHBondContact O-N 2.79Å; K373-G375 PolarHBondContact O-N 3.32Å
374	P	52.7	Low	64.4	Low	76 Å²	76	103.1 Å²	103.1	49%	0.494	53%	0.532	S	S	.	.			trans	-51.2	135.8	-160.5	17.2	-31.2	0	0	0	110.9	Q360 P361	Q360-P374 CarbonylContact C-O 3.32Å; P361-P374 WeakPolarHBondContact CA-O 3.17Å; P361-P374 VanDerWaalsContact CB-O 3.29Å; P361-P374 WeakPolarHBondContact CB-O 3.14Å; P361-P374 WeakPolarHBondContact CG-O 3.21Å
375	G	66.3	Low	67.2	Low	42 Å²	42	101.7 Å²	101.7	43%	0.433	53%	0.528	S	S	.	.			trans	-46.4	150.6	-177.8	0	0	0	0	0	111.4	K373 W377	K373-G375 PolarHBondContact O-N 3.32Å; G375-W377 PolarHBondContact O-N 2.96Å
376	K	72.4	Confident	69.8	Low	154 Å²	154	105.3 Å²	105.3	67%	0.67	54%	0.536	S	S	*	.			trans	-75.9	77.9	174.1	-131.9	-173.2	-175.6	165.3	0	105.8	Q360 P361 C378	Q360-K376 HydrophobicContact CG-CD 4.47Å; Q360-K376 VanDerWaalsContact NE2-CD 3.31Å; Q360-K376 VanDerWaalsContact NE2-CE 3.29Å; P361-K376 HydrophobicContact CG-CB 3.74Å; P361-K376 HydrophobicContact CG-CG 4.23Å; K376-C378 VanDerWaalsContact C-N 3.35Å; K376-C378 PolarHBondContact O-N 3.38Å
377	W	79.9	Confident	71.7	Confident	162 Å²	162	104.8 Å²	104.8	61%	0.614	53%	0.525	S	S	*	.			trans	-59.1	100.8	177.4	-65.4	93.9	0	0	0	106	G375 H381 V382	G375-W377 PolarHBondContact O-N 2.96Å; W377-H381 HydrophobicContact CE3-CB 3.64Å; W377-H381 HydrophobicContact CZ3-CB 4.24Å; W377-V382 HydrophobicContact CB-CG2 3.78Å
378	C	81.3	Confident	73.7	Confident	60 Å²	60	98.9 Å²	98.9	41%	0.405	50%	0.501	S	S	.	.			trans	-61.5	156.7	173.3	62.9	0	0	0	0	108.4	K376 M380 H381 V382	K376-C378 VanDerWaalsContact C-N 3.35Å; K376-C378 PolarHBondContact O-N 3.38Å; C378-M380 PolarHBondContact O-N 2.79Å; C378-H381 PolarHBondContact O-N 3.44Å; C378-H381 PolarHBondContact SG-N 2.87Å; C378-V382 PolarHBondContact O-N 3.42Å; C378-V382 VanDerWaalsContact O-N 3.11Å
379	A	79	Confident	76.1	Confident	86 Å²	86	98.7 Å²	98.7	71%	0.711	50%	0.502	S	S	*	.	H	α-helix	trans	-52.6	-31.2	-179.3	0	0	0	0	0	112.3	V382 H383	A379-V382 PolarHBondContact O-N 2.86Å; A379-H383 VanDerWaalsContact O-CB 3.3Å; A379-H383 WeakPolarHBondContact O-CB 3.49Å; A379-H383 PolarHBondContact O-N 3.49Å
380	M	90	Very high	78.3	Confident	119 Å²	119	96.4 Å²	96.4	59%	0.586	48%	0.48	S	S	*	.	H	α-helix	trans	-64.8	-45.5	173.8	-168.1	59.9	71.1	0	0	113.3	C378 V382 H383 I384	C378-M380 PolarHBondContact O-N 2.79Å; M380-V382 VanDerWaalsContact C-N 3.31Å; M380-V382 PolarHBondContact O-N 2.77Å; M380-H383 WeakPolarHBondContact O-CB 3.39Å; M380-H383 PolarHBondContact O-N 3.3Å; M380-I384 HydrophobicContact CG-CD1 3.9Å; M380-I384 WeakPolarHBondContact O-CB 3.31Å; M380-I384 VanDerWaalsContact O-CG1 3.29Å; M380-I384 WeakPolarHBondContact O-CG1 3.18Å; M380-I384 PolarHBondContact O-N 2.53Å; M380-I384 HydrophobicContact SD-CD1 4.34Å
381	H	91.8	Very high	80.8	Confident	99 Å²	99	95.7 Å²	95.7	46%	0.458	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-33.6	176	-61.9	167.9	0	0	0	112	W377 C378 A385	W377-H381 HydrophobicContact CE3-CB 3.64Å; W377-H381 HydrophobicContact CZ3-CB 4.24Å; C378-H381 PolarHBondContact O-N 3.44Å; C378-H381 PolarHBondContact SG-N 2.87Å; H381-A385 WeakPolarHBondContact O-CB 3.12Å; H381-A385 PolarHBondContact O-N 2.78Å
382	V	91.3	Very high	82.8	Confident	82 Å²	82	98.2 Å²	98.2	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-68.2	-40.1	173.3	-177.2	0	0	0	0	110.9	W377 C378 A379 M380 A385 W386	W377-V382 HydrophobicContact CB-CG2 3.78Å; C378-V382 PolarHBondContact O-N 3.42Å; C378-V382 VanDerWaalsContact O-N 3.11Å; A379-V382 PolarHBondContact O-N 2.86Å; M380-V382 VanDerWaalsContact C-N 3.31Å; M380-V382 PolarHBondContact O-N 2.77Å; V382-A385 PolarHBondContact O-N 2.78Å; V382-W386 VanDerWaalsContact O-CB 3.3Å; V382-W386 WeakPolarHBondContact O-CB 3.19Å; V382-W386 PolarHBondContact O-N 2.7Å
383	H	88.2	Confident	84.5	Confident	92 Å²	92	93.3 Å²	93.3	43%	0.426	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-48.9	174.9	-175.2	87.7	0	0	0	111.7	A379 M380 W386 Q387	A379-H383 VanDerWaalsContact O-CB 3.3Å; A379-H383 WeakPolarHBondContact O-CB 3.49Å; A379-H383 PolarHBondContact O-N 3.49Å; M380-H383 WeakPolarHBondContact O-CB 3.39Å; M380-H383 PolarHBondContact O-N 3.3Å; H383-W386 PolarHBondContact O-N 3.37Å; H383-Q387 PolarHBondContact CD2-OE1 2.66Å; H383-Q387 VanDerWaalsContact NE2-CD 3.33Å; H383-Q387 PolarHBondContact NE2-NE2 2.68Å; H383-Q387 WeakPolarHBondContact O-CG 3.06Å; H383-Q387 PolarHBondContact O-N 3.32Å
384	I	94.3	Very high	86.1	Confident	73 Å²	73	91.3 Å²	91.3	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-45.2	177.4	-67.4	165	0	0	0	110.6	M380 W386 Q387 I388	M380-I384 HydrophobicContact CG-CD1 3.9Å; M380-I384 WeakPolarHBondContact O-CB 3.31Å; M380-I384 VanDerWaalsContact O-CG1 3.29Å; M380-I384 WeakPolarHBondContact O-CG1 3.18Å; M380-I384 PolarHBondContact O-N 2.53Å; M380-I384 HydrophobicContact SD-CD1 4.34Å; I384-W386 VanDerWaalsContact C-N 3.31Å; I384-W386 PolarHBondContact O-N 2.67Å; I384-Q387 PolarHBondContact O-N 2.77Å; I384-I388 HydrophobicContact CG2-CD1 3.72Å; I384-I388 HydrophobicContact CG2-CG1 4.4Å; I384-I388 WeakPolarHBondContact O-CB 3.43Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.49Å; I384-I388 PolarHBondContact O-N 2.79Å
385	A	94.6	Very high	87.6	Confident	48 Å²	48	90.2 Å²	90.2	40%	0.397	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-37.9	175.8	0	0	0	0	0	112.2	H381 V382 Y389	H381-A385 WeakPolarHBondContact O-CB 3.12Å; H381-A385 PolarHBondContact O-N 2.78Å; V382-A385 PolarHBondContact O-N 2.78Å; A385-Y389 WeakPolarHBondContact O-CB 3.33Å; A385-Y389 PolarHBondContact O-N 3.18Å
386	W	92.3	Very high	88	Confident	147 Å²	147	94 Å²	94	56%	0.557	46%	0.458	S	S	*	.	H	α-helix	trans	-68.7	-41.8	173.9	178.4	87.6	0	0	0	112.5	V382 H383 I384 Y389 H390	V382-W386 VanDerWaalsContact O-CB 3.3Å; V382-W386 WeakPolarHBondContact O-CB 3.19Å; V382-W386 PolarHBondContact O-N 2.7Å; H383-W386 PolarHBondContact O-N 3.37Å; I384-W386 VanDerWaalsContact C-N 3.31Å; I384-W386 PolarHBondContact O-N 2.67Å; W386-Y389 PolarHBondContact O-N 2.76Å; W386-H390 AromaticContact CH2-CD2 3.98Å; W386-H390 HydrophobicContact CZ2-CB 4.45Å; W386-H390 AromaticContact CZ2-CD2 3.48Å; W386-H390 VanDerWaalsContact CZ2-CD2 3.48Å; W386-H390 WeakPolarHBondContact CZ2-CD2 3.5Å; W386-H390 WeakPolarHBondContact O-CB 3.12Å; W386-H390 PolarHBondContact O-N 2.94Å
387	Q	94.9	Very high	88	Confident	89 Å²	89	93.9 Å²	93.9	42%	0.416	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-47	175	-77	-176.5	-45	0	0	111.1	H383 I384 H390 H391	H383-Q387 PolarHBondContact CD2-OE1 2.66Å; H383-Q387 VanDerWaalsContact NE2-CD 3.33Å; H383-Q387 PolarHBondContact NE2-NE2 2.68Å; H383-Q387 WeakPolarHBondContact O-CG 3.06Å; H383-Q387 PolarHBondContact O-N 3.32Å; I384-Q387 PolarHBondContact O-N 2.77Å; Q387-H390 PolarHBondContact O-N 3.07Å; Q387-H391 VanDerWaalsContact O-CB 3.26Å; Q387-H391 WeakPolarHBondContact O-CB 3.35Å; Q387-H391 PolarHBondContact O-N 3.37Å
388	I	94.3	Very high	87.4	Confident	70 Å²	70	93.2 Å²	93.2	36%	0.359	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-48.1	176.6	-67.7	168.9	0	0	0	110.5	I384 H390 H391 Q392	I384-I388 HydrophobicContact CG2-CD1 3.72Å; I384-I388 HydrophobicContact CG2-CG1 4.4Å; I384-I388 WeakPolarHBondContact O-CB 3.43Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.49Å; I384-I388 PolarHBondContact O-N 2.79Å; I388-H390 PolarHBondContact O-N 2.91Å; I388-H391 PolarHBondContact O-N 2.94Å; I388-Q392 WeakPolarHBondContact O-CB 2.95Å; I388-Q392 VanDerWaalsContact O-CG 3.31Å; I388-Q392 WeakPolarHBondContact O-CG 3.46Å; I388-Q392 PolarHBondContact O-N 3.13Å
389	Y	94.9	Very high	86.5	Confident	134 Å²	134	97.7 Å²	97.7	53%	0.525	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.7	175.9	-102.4	0	0	0	112.2	A385 W386 Q392 Q393	A385-Y389 WeakPolarHBondContact O-CB 3.33Å; A385-Y389 PolarHBondContact O-N 3.18Å; W386-Y389 PolarHBondContact O-N 2.76Å; Y389-Q392 PolarHBondContact O-N 3.2Å; Y389-Q393 HydrophobicContact CD1-CG 4.2Å; Y389-Q393 HydrophobicContact CD2-CG 4.37Å; Y389-Q393 HydrophobicContact CE1-CG 3.78Å; Y389-Q393 HydrophobicContact CE2-CG 3.96Å; Y389-Q393 HydrophobicContact CG-CG 4.48Å; Y389-Q393 WeakPolarHBondContact O-CB 3.23Å; Y389-Q393 VanDerWaalsContact O-CG 3.26Å; Y389-Q393 WeakPolarHBondContact O-CG 3.41Å; Y389-Q393 PolarHBondContact O-N 3.18Å; Y389-Q393 PolarHBondContact OH-NE2 3.49Å
390	H	92.6	Very high	85.5	Confident	77 Å²	77	99.8 Å²	99.8	36%	0.356	47%	0.473	S	S	.	.	H	α-helix	trans	-69.8	-35.7	179.5	-165.7	-46.4	0	0	0	111.6	W386 Q387 I388 Q393 K394	W386-H390 AromaticContact CH2-CD2 3.98Å; W386-H390 HydrophobicContact CZ2-CB 4.45Å; W386-H390 AromaticContact CZ2-CD2 3.48Å; W386-H390 VanDerWaalsContact CZ2-CD2 3.48Å; W386-H390 WeakPolarHBondContact CZ2-CD2 3.5Å; W386-H390 WeakPolarHBondContact O-CB 3.12Å; W386-H390 PolarHBondContact O-N 2.94Å; Q387-H390 PolarHBondContact O-N 3.07Å; I388-H390 PolarHBondContact O-N 2.91Å; H390-Q393 PolarHBondContact O-N 3.09Å; H390-K394 WeakPolarHBondContact O-CG 3.19Å; H390-K394 PolarHBondContact O-N 3.16Å
391	H	92.8	Very high	83.7	Confident	58 Å²	58	97.8 Å²	97.8	27%	0.269	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-47.1	171.7	-176.8	71.2	0	0	0	110.7	D261 Q387 I388 Q393 K394 V395	D261-H391 IonicContact OD2-ND1 2.94Å; Q387-H391 VanDerWaalsContact O-CB 3.26Å; Q387-H391 WeakPolarHBondContact O-CB 3.35Å; Q387-H391 PolarHBondContact O-N 3.37Å; I388-H391 PolarHBondContact O-N 2.94Å; H391-Q393 VanDerWaalsContact C-N 3.28Å; H391-Q393 PolarHBondContact O-N 3.01Å; H391-K394 PolarHBondContact O-N 3.29Å; H391-K394 VanDerWaalsContact O-N 3.09Å; H391-V395 WeakPolarHBondContact O-CG2 3.31Å; H391-V395 PolarHBondContact O-N 3.31Å
392	Q	92.3	Very high	81.4	Confident	117 Å²	117	96.2 Å²	96.2	55%	0.547	47%	0.466	S	S	.	.	H	α-helix	trans	-57.7	-38.2	172.4	-74.1	178.5	13.3	0	0	112.5	I388 Y389 K396	I388-Q392 WeakPolarHBondContact O-CB 2.95Å; I388-Q392 VanDerWaalsContact O-CG 3.31Å; I388-Q392 WeakPolarHBondContact O-CG 3.46Å; I388-Q392 PolarHBondContact O-N 3.13Å; Y389-Q392 PolarHBondContact O-N 3.2Å; Q392-K396 WeakPolarHBondContact O-CB 3.41Å; Q392-K396 PolarHBondContact O-N 2.83Å
393	Q	87.3	Confident	79.8	Confident	63 Å²	63	97.1 Å²	97.1	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-70.5	-33.1	175.7	-74.2	-66.6	-27.6	0	0	113	Y389 H390 H391 K397	Y389-Q393 HydrophobicContact CD1-CG 4.2Å; Y389-Q393 HydrophobicContact CD2-CG 4.37Å; Y389-Q393 HydrophobicContact CE1-CG 3.78Å; Y389-Q393 HydrophobicContact CE2-CG 3.96Å; Y389-Q393 HydrophobicContact CG-CG 4.48Å; Y389-Q393 WeakPolarHBondContact O-CB 3.23Å; Y389-Q393 VanDerWaalsContact O-CG 3.26Å; Y389-Q393 WeakPolarHBondContact O-CG 3.41Å; Y389-Q393 PolarHBondContact O-N 3.18Å; Y389-Q393 PolarHBondContact OH-NE2 3.49Å; H390-Q393 PolarHBondContact O-N 3.09Å; H391-Q393 VanDerWaalsContact C-N 3.28Å; H391-Q393 PolarHBondContact O-N 3.01Å; Q393-K397 VanDerWaalsContact O-CB 3.31Å; Q393-K397 WeakPolarHBondContact O-CB 3.39Å; Q393-K397 WeakPolarHBondContact O-CG 3.46Å; Q393-K397 PolarHBondContact O-N 2.85Å
394	K	84.5	Confident	78.2	Confident	70 Å²	70	98.8 Å²	98.8	30%	0.304	48%	0.481	S	S	.	.	H	α-helix	trans	-69.1	-53.4	171.2	-77.5	179.6	173	-169.3	0	111.2	D261 H390 H391 K396 K397 Q398	D261-K394 PolarHBondContact O-NZ 3.04Å; D261-K394 WeakPolarHBondContact OD1-CD 3.31Å; D261-K394 IonicContact OD1-NZ 3.8Å; D261-K394 PolarHBondContact OD1-NZ 3.38Å; D261-K394 WeakPolarHBondContact OD2-CD 3.26Å; D261-K394 WeakPolarHBondContact OD2-CE 3.41Å; D261-K394 IonicContact OD2-NZ 3.76Å; D261-K394 PolarHBondContact OD2-NZ 2.82Å; H390-K394 WeakPolarHBondContact O-CG 3.19Å; H390-K394 PolarHBondContact O-N 3.16Å; H391-K394 PolarHBondContact O-N 3.29Å; H391-K394 VanDerWaalsContact O-N 3.09Å; K394-K396 VanDerWaalsContact C-N 3.32Å; K394-K396 PolarHBondContact O-N 3.09Å; K394-K397 CarbonylContact O-C 3.47Å; K394-K397 PolarHBondContact O-N 2.93Å; K394-Q398 WeakPolarHBondContact O-CB 3.49Å; K394-Q398 PolarHBondContact O-N 3.5Å
395	V	83.7	Confident	76.2	Confident	53 Å²	53	98 Å²	98	32%	0.321	48%	0.475	S	S	.	.	H	α-helix	trans	-57.7	-44.6	177.9	174.1	0	0	0	0	110.5	H391 K397 Q398 M399	H391-V395 WeakPolarHBondContact O-CG2 3.31Å; H391-V395 PolarHBondContact O-N 3.31Å; V395-K397 PolarHBondContact O-N 3.04Å; V395-Q398 CarbonylContact O-C 2.98Å; V395-Q398 PolarHBondContact O-N 3.39Å; V395-Q398 VanDerWaalsContact O-N 3.16Å; V395-M399 HydrophobicContact CG1-CG 4.31Å; V395-M399 HydrophobicContact CG1-SD 4.23Å; V395-M399 WeakPolarHBondContact O-CB 3.44Å; V395-M399 WeakPolarHBondContact O-CG 3.45Å; V395-M399 PolarHBondContact O-N 3.11Å
396	K	76.3	Confident	74	Confident	120 Å²	120	102.7 Å²	102.7	52%	0.522	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-39.1	174.6	-176	170.3	178.8	173	0	112.4	Q392 K394 Q398 M399 Q400	Q392-K396 WeakPolarHBondContact O-CB 3.41Å; Q392-K396 PolarHBondContact O-N 2.83Å; K394-K396 VanDerWaalsContact C-N 3.32Å; K394-K396 PolarHBondContact O-N 3.09Å; K396-Q398 VanDerWaalsContact C-N 3.32Å; K396-Q398 PolarHBondContact O-N 2.85Å; K396-M399 PolarHBondContact O-N 2.88Å; K396-Q400 WeakPolarHBondContact O-CA 3.29Å; K396-Q400 WeakPolarHBondContact O-CB 3.45Å; K396-Q400 PolarHBondContact O-N 2.88Å
397	K	72.8	Confident	71.8	Confident	152 Å²	152	101.9 Å²	101.9	66%	0.661	50%	0.499	S	S	*	.	H	α-helix	trans	-69.6	-27.3	174.4	-75.9	174.6	-178.2	-173.6	0	113.4	Q393 K394 V395 S401	Q393-K397 VanDerWaalsContact O-CB 3.31Å; Q393-K397 WeakPolarHBondContact O-CB 3.39Å; Q393-K397 WeakPolarHBondContact O-CG 3.46Å; Q393-K397 PolarHBondContact O-N 2.85Å; K394-K397 CarbonylContact O-C 3.47Å; K394-K397 PolarHBondContact O-N 2.93Å; V395-K397 PolarHBondContact O-N 3.04Å; K397-S401 VanDerWaalsContact O-CB 3.29Å; K397-S401 WeakPolarHBondContact O-CB 3.22Å; K397-S401 PolarHBondContact O-N 2.66Å; K397-S401 VanDerWaalsContact O-N 3.11Å; K397-S401 PolarHBondContact O-OG 3.37Å
398	Q	66.7	Low	69.6	Low	148 Å²	148	106.3 Å²	106.3	69%	0.692	52%	0.517	S	S	*	.	H	α-helix	trans	-81.4	-29.6	175.2	-176.7	177.3	-11.3	0	0	113.1	K394 V395 K396 S401	K394-Q398 WeakPolarHBondContact O-CB 3.49Å; K394-Q398 PolarHBondContact O-N 3.5Å; V395-Q398 CarbonylContact O-C 2.98Å; V395-Q398 PolarHBondContact O-N 3.39Å; V395-Q398 VanDerWaalsContact O-N 3.16Å; K396-Q398 VanDerWaalsContact C-N 3.32Å; K396-Q398 PolarHBondContact O-N 2.85Å; Q398-S401 PolarHBondContact O-OG 3.34Å
399	M	62.4	Low	67.1	Low	155 Å²	155	106 Å²	106	76%	0.764	53%	0.531	S	S	*	.	H	α-helix	trans	-90.6	-20.9	174.6	-64.8	-161.6	79	0	0	113.3	V395 K396	V395-M399 HydrophobicContact CG1-CG 4.31Å; V395-M399 HydrophobicContact CG1-SD 4.23Å; V395-M399 WeakPolarHBondContact O-CB 3.44Å; V395-M399 WeakPolarHBondContact O-CG 3.45Å; V395-M399 PolarHBondContact O-N 3.11Å; K396-M399 PolarHBondContact O-N 2.88Å
400	Q	57.8	Low	65.2	Low	129 Å²	129	106.7 Å²	106.7	60%	0.603	54%	0.543	S	S	*	.	S	Bend	trans	-102.2	8.2	174	-156.5	167.9	2.9	0	0	112.4	K396 D402	K396-Q400 WeakPolarHBondContact O-CA 3.29Å; K396-Q400 WeakPolarHBondContact O-CB 3.45Å; K396-Q400 PolarHBondContact O-N 2.88Å; Q400-D402 PolarHBondContact O-N 2.83Å
401	S	52.9	Low	62.8	Low	78 Å²	78	112.2 Å²	112.2	55%	0.545	57%	0.566	S	S	.	*	S	Bend	trans	-80.3	91.6	159.9	56.1	0	0	0	0	109.7	K397 Q398	K397-S401 VanDerWaalsContact O-CB 3.29Å; K397-S401 WeakPolarHBondContact O-CB 3.22Å; K397-S401 PolarHBondContact O-N 2.66Å; K397-S401 VanDerWaalsContact O-N 3.11Å; K397-S401 PolarHBondContact O-OG 3.37Å; Q398-S401 PolarHBondContact O-OG 3.34Å
402	D	42	Very low	60.9	Low	66 Å²	66	111.8 Å²	111.8	35%	0.353	57%	0.569	S	S	.	*			trans	68	83.9	169.6	-161.6	-11.2	0	0	0	117.4	Q400 H404 K405	Q400-D402 PolarHBondContact O-N 2.83Å; D402-H404 PolarHBondContact O-N 3.13Å; D402-H404 WeakPolarHBondContact OD1-CA 3.26Å; D402-H404 WeakPolarHBondContact OD1-CB 3.48Å; D402-H404 IonicContact OD1-CD2 3.95Å; D402-H404 PolarHBondContact OD1-N 3.47Å; D402-K405 HydrophobicContact CB-CB 4.46Å; D402-K405 HydrophobicContact CB-CG 3.72Å; D402-K405 PolarHBondContact O-N 2.88Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 WeakPolarHBondContact OD2-CE 3.22Å; D402-K405 WeakPolarHBondContact OD2-CG 3.48Å
403	P	57.4	Low	59.1	Low	101 Å²	101	113 Å²	113	66%	0.656	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-5.2	167.7	-25.3	36.3	0	0	0	116.2
404	H	55.3	Low	57.1	Low	127 Å²	127	117.6 Å²	117.6	59%	0.588	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	9.9	174.4	-55.3	-79.4	0	0	0	113.2	D402 K539 P540	D402-H404 PolarHBondContact O-N 3.13Å; D402-H404 WeakPolarHBondContact OD1-CA 3.26Å; D402-H404 WeakPolarHBondContact OD1-CB 3.48Å; D402-H404 IonicContact OD1-CD2 3.95Å; D402-H404 PolarHBondContact OD1-N 3.47Å; H404-K539 VanDerWaalsContact O-CD 3.22Å; H404-K539 WeakPolarHBondContact O-CD 3.42Å; H404-P540 HydrophobicContact CB-CB 3.83Å; H404-P540 HydrophobicContact CB-CG 3.89Å
405	K	51.8	Low	55.4	Low	55 Å²	55	118.9 Å²	118.9	24%	0.239	60%	0.603	C	S	.	*	S	Bend	trans	-95.5	-20.7	176.6	-67.5	-91.6	164	178.8	0	115	D402 W537 L538 K539	D402-K405 HydrophobicContact CB-CB 4.46Å; D402-K405 HydrophobicContact CB-CG 3.72Å; D402-K405 PolarHBondContact O-N 2.88Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 WeakPolarHBondContact OD2-CE 3.22Å; D402-K405 WeakPolarHBondContact OD2-CG 3.48Å; K405-W537 HydrophobicContact CD-CH2 4.36Å; K405-W537 HydrophobicContact CD-CZ3 4.09Å; K405-L538 PolarHBondContact NZ-O 3.35Å; K405-K539 HydrophobicContact CD-CD 3.8Å; K405-K539 HydrophobicContact CD-CG 4.29Å; K405-K539 HydrophobicContact CG-CD 4.37Å; K405-K539 PolarHBondContact O-NZ 3.46Å
406	L	49.8	Very low	53.4	Low	147 Å²	147	120.7 Å²	120.7	77%	0.77	62%	0.618	S	S	*	*			trans	-101	85.5	179.7	-77.4	170.1	0	0	0	112.4	F408	L406-F408 HydrophobicContact CD2-CE2 4.06Å
407	D	44.6	Very low	51.5	Low	130 Å²	130	125.4 Å²	125.4	70%	0.695	63%	0.633	S	S	*	*			trans	-87.5	111.6	166.1	176.6	12.8	0	0	0	109	G409	D407-G409 WeakPolarHBondContact OD1-CA 3.46Å; D407-G409 PolarHBondContact OD1-N 3.09Å
408	F	49	Very low	50.3	Low	183 Å²	183	123.5 Å²	123.5	80%	0.803	64%	0.636	S	S	*	*			trans	-116.3	52.4	165.1	-83.2	-68.1	0	0	0	109.6	L406 L410	L406-F408 HydrophobicContact CD2-CE2 4.06Å; F408-L410 PolarHBondContact O-N 2.89Å; F408-L410 VanDerWaalsContact O-N 3.08Å
409	G	42.4	Very low	49	Very low	63 Å²	63	122.8 Å²	122.8	65%	0.649	64%	0.644	S	S	*	*			trans	-56.6	107	173.8	0	0	0	0	0	112.8	D407	D407-G409 WeakPolarHBondContact OD1-CA 3.46Å; D407-G409 PolarHBondContact OD1-N 3.09Å
410	L	54.5	Low	47.5	Very low	149 Å²	149	118.8 Å²	118.8	78%	0.78	64%	0.642	S	S	*	*			trans	-50.8	151.9	166.7	-57.4	163.7	0	0	0	111.7	F408	F408-L410 PolarHBondContact O-N 2.89Å; F408-L410 VanDerWaalsContact O-N 3.08Å
411	K	42.8	Very low	46.9	Very low	192 Å²	192	118.8 Å²	118.8	84%	0.835	65%	0.654	S	S	*	*				-148.9	145.6	114.1	-71	-147.5	175.8	-173.1	0	111
412	P	53.7	Low	46.4	Very low	50 Å²	50	119.2 Å²	119.2	33%	0.325	66%	0.657	S	S	.	*			trans	-123.9	31	-154.3	23.5	2	0	0	0	116.1	S764	P412-S764 CarbonylContact C-O 3.44Å; P412-S764 WeakPolarHBondContact CA-O 3.01Å; P412-S764 WeakPolarHBondContact CB-O 3.04Å; P412-S764 CarbonylContact O-C 3.31Å; P412-S764 VanDerWaalsContact O-C 3.3Å; P412-S764 PolarHBondContact O-N 2.79Å
413	E	52.7	Low	46.4	Very low	142 Å²	142	124 Å²	124	66%	0.664	68%	0.682	S	S	*	*			trans	-99.6	9.4	-151.7	-55.3	-61.4	166	0	0	119.6
414	F	46	Very low	45.8	Very low	160 Å²	160	124 Å²	124	70%	0.702	67%	0.671	S	S	*	*			trans	-125.3	-27.2	-163.3	-87	-77.4	0	0	0	121.2	S416 I765	F414-S416 CarbonylContact O-C 3.29Å; F414-S416 VanDerWaalsContact O-C 3.31Å; F414-S416 PolarHBondContact O-N 2.81Å; F414-S416 VanDerWaalsContact O-N 3.12Å; F414-I765 CarbonylContact C-O 3.36Å; F414-I765 WeakPolarHBondContact CA-O 3.41Å; F414-I765 WeakPolarHBondContact CB-O 3.48Å; F414-I765 PolarHBondContact N-O 3.44Å
415	L	49.3	Very low	45	Very low	96 Å²	96	119.9 Å²	119.9	50%	0.503	66%	0.664	S	S	.	*			trans	-77	3.5	-176.9	-126.4	-172.8	0	0	0	114.2	R417 S764 I765	L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 2.68Å; L415-S764 WeakPolarHBondContact CB-OG 3.25Å; L415-I765 HydrophobicContact CB-CG1 4.32Å; L415-I765 HydrophobicContact CD1-CD1 4.21Å; L415-I765 HydrophobicContact CD1-CG1 3.97Å; L415-I765 PolarHBondContact N-O 2.88Å
416	S	40.7	Very low	44.2	Very low	91 Å²	91	120.5 Å²	120.5	64%	0.636	68%	0.679	S	S	*	*			trans	-72.7	81.8	146.2	-66.3	0	0	0	0	107.8	F414	F414-S416 CarbonylContact O-C 3.29Å; F414-S416 VanDerWaalsContact O-C 3.31Å; F414-S416 PolarHBondContact O-N 2.81Å; F414-S416 VanDerWaalsContact O-N 3.12Å
417	R	36.3	Very low	43.3	Very low	220 Å²	220	117.6 Å²	117.6	83%	0.83	66%	0.664	S	S	*	*				-173.1	150.3	66.3	-176.4	178	-175.6	174.6	0.9	111.4	L415	L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 2.68Å
418	P	47.6	Very low	42.7	Very low	112 Å²	112	114 Å²	114	73%	0.727	64%	0.642	S	S	*	*			trans	-89.6	146.9	-174.4	34.5	-36.1	0	0	0	114.9
419	P	39.7	Very low	42	Very low	132 Å²	132	110.5 Å²	110.5	86%	0.857	63%	0.628	S	S	*	*			trans	-129.8	158.8	163.9	39.7	-27.1	0	0	0	115.2
420	G	30.4	Very low	41.6	Very low	71 Å²	71	112.3 Å²	112.3	73%	0.732	63%	0.629	S	S	*	*			trans	-170.2	-171	161.1	0	0	0	0	0	108.8
421	P	46.7	Very low	40.7	Very low	129 Å²	129	113 Å²	113	84%	0.838	63%	0.627	S	S	*	*			cis	-135	168.3	-25.1	39.7	-24.8	0	0	0	114.2
422	S	41	Very low	39.9	Very low	87 Å²	87	109.7 Å²	109.7	61%	0.608	62%	0.619	S	S	*	*			trans	72.7	138.1	154.3	-158.1	0	0	0	0	121.6
423	L	43.6	Very low	39.2	Very low	168 Å²	168	115.6 Å²	115.6	88%	0.88	65%	0.647	S	S	*	*			trans	-138	138.4	144	-89.5	178.1	0	0	0	108.9
424	F	44.6	Very low	38.3	Very low	99 Å²	99	113.3 Å²	113.3	43%	0.434	65%	0.652	S	S	.	*	S	Bend	trans	-70.6	166.4	-150.9	-75.6	-87.1	0	0	0	119	L837 Y838 E839	F424-L837 VanDerWaalsContact CE2-O 3.26Å; F424-L837 WeakPolarHBondContact CE2-O 3.49Å; F424-L837 VanDerWaalsContact CZ-C 3.44Å; F424-L837 WeakPolarHBondContact CZ-O 3.26Å; F424-Y838 VanDerWaalsContact CD1-C 3.48Å; F424-E839 VanDerWaalsContact CD1-N 3.33Å
425	G	37.4	Very low	38	Very low	42 Å²	42	116.8 Å²	116.8	43%	0.433	66%	0.661	S	S	.	*			cis	-169.2	137.7	0.2	0	0	0	0	0	115.9
426	A	34.6	Very low	37.7	Very low	68 Å²	68	117.8 Å²	117.8	56%	0.562	67%	0.673	S	S	*	*			trans	-164.4	131.4	176.1	0	0	0	0	0	114	D841	A426-D841 HydrophobicContact CB-CB 3.73Å; A426-D841 WeakPolarHBondContact CB-OD2 3.1Å
427	I	32.4	Very low	37.4	Very low	86 Å²	86	118.2 Å²	118.2	44%	0.441	68%	0.675	S	S	.	*			trans	-158.1	40.3	179.3	57.8	159.3	0	0	0	114.2	H429 E839 D841	I427-H429 PolarHBondContact O-CE1 2.93Å; I427-H429 PolarHBondContact O-ND1 3.31Å; I427-E839 HydrophobicContact CD1-CG 3.42Å; I427-E839 VanDerWaalsContact CD1-CG 3.42Å; I427-E839 HydrophobicContact CG1-CG 3.96Å; I427-D841 VanDerWaalsContact C-OD1 3.29Å; I427-D841 PolarHBondContact N-OD1 2.79Å; I427-D841 PolarHBondContact N-OD2 2.77Å
428	H	31.6	Very low	37.4	Very low	53 Å²	53	113.5 Å²	113.5	25%	0.245	67%	0.671	C	S	.	*			trans	-58.1	145.9	-157.2	-161.4	44.8	0	0	0	117.3	D841 R842 S843 F844	H428-D841 WeakPolarHBondContact CA-OD1 3.35Å; H428-D841 WeakPolarHBondContact CB-OD1 3.41Å; H428-D841 WeakPolarHBondContact CB-OD2 3.42Å; H428-D841 PolarHBondContact N-OD1 3.25Å; H428-D841 PolarHBondContact N-OD2 3.32Å; H428-D841 PolarHBondContact ND1-O 2.78Å; H428-R842 PolarHBondContact CE1-NE 3.46Å; H428-S843 PolarHBondContact CD2-N 2.84Å; H428-S843 PolarHBondContact CD2-OG 2.95Å; H428-F844 AromaticContact CD2-CE2 3.41Å; H428-F844 VanDerWaalsContact CD2-CE2 3.41Å; H428-F844 WeakPolarHBondContact CD2-CE2 3.39Å; H428-F844 AromaticContact CD2-CZ 3.93Å; H428-F844 AromaticContact NE2-CE2 3.76Å
429	H	34.3	Very low	36.9	Very low	111 Å²	111	114 Å²	114	51%	0.514	67%	0.668	S	S	.	*			trans	-106.8	153.5	-176	-27.2	-31.7	0	0	0	111.1	I427	I427-H429 PolarHBondContact O-CE1 2.93Å; I427-H429 PolarHBondContact O-ND1 3.31Å
430	P	34.5	Very low	36.7	Very low	101 Å²	101	115.2 Å²	115.2	66%	0.656	66%	0.66	S	S	*	*	S	Bend		-106	146.4	62.4	33.3	-36.2	0	0	0	115
431	H	35	Very low	36.7	Very low	163 Å²	163	116.4 Å²	116.4	76%	0.755	66%	0.657	S	S	*	*			trans	28.9	112.4	155.8	-73.8	-72.9	0	0	0	118.2
432	D	25.9	Very low	36	Very low	123 Å²	123	115.1 Å²	115.1	66%	0.658	66%	0.657	S	S	*	*			cis	45.3	99.8	42.4	-174.4	25.9	0	0	0	114.6	A434	D432-A434 PolarHBondContact OD1-N 3.02Å
433	L	38.8	Very low	35.7	Very low	174 Å²	174	116 Å²	116	91%	0.911	67%	0.669	S	S	*	*			trans	-128	114	145.3	-96.6	160.5	0	0	0	109.1
434	A	34.8	Very low	34.9	Very low	93 Å²	93	111.6 Å²	111.6	77%	0.769	67%	0.665	S	S	*	*			trans	87.5	83.3	161.8	0	0	0	0	0	119	D432	D432-A434 PolarHBondContact OD1-N 3.02Å
435	R	37.9	Very low	34.4	Very low	234 Å²	234	112 Å²	112	88%	0.883	69%	0.687	S	S	*	*			trans	-109.6	134	131.3	-88.4	-171.9	168.1	-171.1	-1.8	111.5	S437	R435-S437 PolarHBondContact O-N 2.67Å
436	P	44.7	Very low	34	Very low	117 Å²	117	114.5 Å²	114.5	76%	0.76	70%	0.703	S	S	*	*			trans	-80.4	107	174.1	30.6	-32.5	0	0	0	112.9
437	S	33.2	Very low	33.9	Very low	99 Å²	99	120.1 Å²	120.1	69%	0.692	72%	0.717	S	S	*	*				56.1	156	123.7	64.9	0	0	0	0	124.2	R435	R435-S437 PolarHBondContact O-N 2.67Å
438	T	36.8	Very low	34.7	Very low	121 Å²	121	121.5 Å²	121.5	74%	0.742	73%	0.732	S	S	*	*			trans	83.2	149	161.3	74.9	0	0	0	0	119.8
439	L	36.9	Very low	34.7	Very low	124 Å²	124	125.6 Å²	125.6	65%	0.649	76%	0.76	S	S	*	*			cis	-169.3	173.9	-46.6	-112	168.4	0	0	0	110	R836	L439-R836 PolarHBondContact O-NH2 3.19Å
440	F	36.3	Very low	34.6	Very low	157 Å²	157	123.7 Å²	123.7	69%	0.689	77%	0.771	S	S	*	*			trans	60.7	159.7	171.7	-68	-88.4	0	0	0	119.5	R836	F440-R836 PolarHBondContact O-NH1 2.79Å; F440-R836 PolarHBondContact O-NH2 3.42Å; F440-R836 VanDerWaalsContact O-NH2 3.1Å
441	S	29.2	Very low	34.4	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	78%	0.779	S	S	*	*			cis	-176.1	160.1	-42.5	-97	0	0	0	0	112.9
442	A	32.2	Very low	35.5	Very low	101 Å²	101	122.1 Å²	122.1	84%	0.835	77%	0.773	S	S	*	*			trans	67.5	155.8	156.1	0	0	0	0	0	120.1
443	A	35	Very low	35.8	Very low	105 Å²	105	126 Å²	126	87%	0.868	79%	0.785	S	S	*	*			cis	-172.3	159.4	-26.7	0	0	0	0	0	110.9
444	G	27.1	Very low	35.4	Very low	77 Å²	77	120.8 Å²	120.8	79%	0.794	77%	0.772	S	S	*	*			trans	145.1	104.8	156.9	0	0	0	0	0	120.1
445	A	34.3	Very low	36.2	Very low	108 Å²	108	122.5 Å²	122.5	89%	0.893	78%	0.776	S	S	*	*			trans	40.5	151.8	140.8	0	0	0	0	0	122.9
446	A	28.7	Very low	36.9	Very low	94 Å²	94	116.7 Å²	116.7	78%	0.777	77%	0.768	S	S	*	*			cis	-147.5	176.5	10.7	0	0	0	0	0	113.3
447	H	33.7	Very low	37.3	Very low	185 Å²	185	116 Å²	116	86%	0.856	76%	0.763	S	S	*	*			trans	-102.9	-178.7	-178.5	-53	-87.5	0	0	0	113.3
448	P	49.1	Very low	37.3	Very low	115 Å²	115	119.3 Å²	119.3	75%	0.747	77%	0.768	S	S	*	*				-145	151	82.4	39.7	-23.6	0	0	0	117.4
449	T	31.6	Very low	37.3	Very low	139 Å²	139	121.9 Å²	121.9	85%	0.853	77%	0.771	S	S	*	*			trans	38.8	140.3	146.8	57.3	0	0	0	0	122.4
450	G	30.3	Very low	37.1	Very low	71 Å²	71	120.3 Å²	120.3	73%	0.732	77%	0.77	S	S	*	*			cis	-174.7	-169	8.8	0	0	0	0	0	114.5
451	T	31.3	Very low	37.1	Very low	135 Å²	135	118.9 Å²	118.9	83%	0.828	77%	0.77	S	S	*	*			trans	-140.2	-166	-168.9	59.8	0	0	0	0	109.8
452	P	57.8	Low	37.2	Very low	96 Å²	96	122.7 Å²	122.7	62%	0.623	78%	0.775	S	S	*	*			cis	-132.1	-163.7	-20.1	20.6	6.2	0	0	0	113.9
453	F	32.4	Very low	37.5	Very low	206 Å²	206	125.5 Å²	125.5	90%	0.904	78%	0.775	S	S	*	*			trans	88.1	151.2	160.3	-64.9	-74.3	0	0	0	122
454	G	30.1	Very low	37.1	Very low	63 Å²	63	127.9 Å²	127.9	65%	0.649	77%	0.773	S	S	*	*			trans	-162.5	-156.1	173	0	0	0	0	0	108.3
455	P	52.6	Low	38	Very low	130 Å²	130	129.7 Å²	129.7	84%	0.844	77%	0.771	S	S	*	*			cis	-123.2	-113	-3.1	23.3	3.6	0	0	0	115.5
456	P	52.6	Low	37.7	Very low	111 Å²	111	129 Å²	129	72%	0.721	77%	0.765	S	S	*	*				-116	-160.3	-126.2	42.9	-23.7	0	0	0	113.4
457	P	51.6	Low	38.1	Very low	102 Å²	102	129.3 Å²	129.3	66%	0.662	77%	0.767	S	S	*	*			cis	-147.3	-170.2	6.5	47.4	-26.9	0	0	0	118.9
458	H	34.1	Very low	38.1	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.787	76%	0.76	S	S	*	*			trans	33.7	121.2	152.9	-57.3	-55.6	0	0	0	123.7
459	H	36.6	Very low	37.4	Very low	174 Å²	174	128.6 Å²	128.6	81%	0.806	76%	0.758	S	S	*	*				173.3	129.5	106.4	62	-79.4	0	0	0	108.4
460	S	33.1	Very low	38.3	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	76%	0.756	S	S	*	*				92.8	142.6	57.4	93.9	0	0	0	0	114.8
461	N	35.1	Very low	38.9	Very low	127 Å²	127	131.3 Å²	131.3	68%	0.679	75%	0.749	S	S	*	*			trans	81.9	110.3	150.5	-70.8	1.2	0	0	0	123.5
462	F	32.8	Very low	39	Very low	177 Å²	177	133.2 Å²	133.2	78%	0.776	75%	0.746	S	S	*	*				83.8	141.4	124.2	-77.3	-56.3	0	0	0	123.2
463	L	38.3	Very low	37.7	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	75%	0.745	S	S	*	*			trans	67.7	93.2	163.1	-62.1	174.4	0	0	0	118.9
464	N	25.8	Very low	37.8	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	74%	0.742	S	S	*	*				32.5	151	110.7	-105.4	15.1	0	0	0	120.9
465	P	45.7	Very low	38	Very low	115 Å²	115	136.7 Å²	136.7	75%	0.747	74%	0.744	S	S	*	*			trans	-129.3	-130	-132.2	41.4	-21.7	0	0	0	112.2
466	A	28.3	Very low	37.2	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	74%	0.738	S	S	*	*			trans	73.3	124.3	-162.4	0	0	0	0	0	112.1
467	A	37.2	Very low	36.4	Very low	101 Å²	101	136 Å²	136	84%	0.835	74%	0.739	S	S	*	*			cis	74	83	28.9	0	0	0	0	0	114.3
468	H	33.3	Very low	35.8	Very low	153 Å²	153	139.9 Å²	139.9	71%	0.708	75%	0.746	S	S	*	*			trans	-147.7	115.3	158.4	-152.7	-95.1	0	0	0	105.1
469	L	34.7	Very low	35.9	Very low	132 Å²	132	137 Å²	137	69%	0.691	74%	0.74	S	S	*	*				53.9	76.5	84.3	-59.1	176.9	0	0	0	112.9
470	E	50	Low	35.8	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	73%	0.732	S	S	*	*	S	Bend	trans	-58.7	144.4	144.6	-81.3	-63.2	138.4	0	0	109
471	P	43.3	Very low	36.1	Very low	90 Å²	90	136 Å²	136	58%	0.584	75%	0.748	S	S	*	*	S	Bend		-94.7	155.4	-94.6	-22	36.9	0	0	0	117.6
472	F	34.6	Very low	36.1	Very low	175 Å²	175	134.3 Å²	134.3	77%	0.768	75%	0.752	S	S	*	*			trans	83.1	138.6	157.8	-76.8	-74.6	0	0	0	122.4
473	N	29.3	Very low	36	Very low	111 Å²	111	130.4 Å²	130.4	59%	0.594	75%	0.752	S	S	*	*			trans	86.8	86.5	152.5	-74.2	-54.7	0	0	0	122.2
474	R	35.6	Very low	35.7	Very low	223 Å²	223	130 Å²	130	84%	0.842	76%	0.756	S	S	*	*				71.8	158.3	125.4	-61.1	176	-159.9	-143.2	1.1	119.4
475	P	33.4	Very low	36.3	Very low	105 Å²	105	126.3 Å²	126.3	68%	0.682	75%	0.754	S	S	*	*			cis	-141.7	178.5	-48.9	41.8	-26	0	0	0	113.6
476	S	34.8	Very low	35.7	Very low	105 Å²	105	123.9 Å²	123.9	73%	0.734	75%	0.75	S	S	*	*			trans	67.8	144.8	150.1	-62.1	0	0	0	0	119.5
477	T	37.5	Very low	36.2	Very low	120 Å²	120	127.5 Å²	127.5	74%	0.736	76%	0.756	S	S	*	*			cis	-157.4	138.3	-11.3	17.4	0	0	0	0	106.2
478	F	37.9	Very low	36.2	Very low	185 Å²	185	126.5 Å²	126.5	81%	0.811	75%	0.749	S	S	*	*				64.6	135.5	63.6	-140.5	-105.9	0	0	0	112.8
479	T	36	Very low	36.6	Very low	108 Å²	108	129.6 Å²	129.6	66%	0.663	76%	0.76	S	S	*	*			cis	-178	165.3	-15.7	-95.2	0	0	0	0	108.2
480	G	34.6	Very low	36.9	Very low	62 Å²	62	127.6 Å²	127.6	64%	0.639	77%	0.771	S	S	*	*			trans	103.2	129.8	156	0	0	0	0	0	113.7
481	L	39.9	Very low	36.2	Very low	183 Å²	183	122.3 Å²	122.3	96%	0.958	77%	0.765	S	S	*	*			cis	62.7	76.4	22.3	-55.9	-176.9	0	0	0	115.9
482	A	34.9	Very low	36.5	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	78%	0.781	S	S	*	*			trans	-140.8	136.9	134.7	0	0	0	0	0	106.1
483	A	31.4	Very low	36.3	Very low	95 Å²	95	121.7 Å²	121.7	79%	0.785	78%	0.78	S	S	*	*			cis	65.2	132.6	42.9	0	0	0	0	0	111.9
484	V	32.3	Very low	36.5	Very low	151 Å²	151	124 Å²	124	92%	0.915	79%	0.793	S	S	*	*			cis	-155.8	164.1	-6.1	101.1	0	0	0	0	108.8
485	G	38.5	Very low	36.5	Very low	78 Å²	78	118.7 Å²	118.7	80%	0.804	79%	0.787	S	S	*	*			trans	108.4	125.3	167.9	0	0	0	0	0	113.8
486	G	32.2	Very low	36.5	Very low	63 Å²	63	118.5 Å²	118.5	65%	0.649	79%	0.788	S	S	*	*			cis	138.4	155.8	-6.7	0	0	0	0	0	112.5
487	N	38.4	Very low	36.4	Very low	168 Å²	168	119.5 Å²	119.5	90%	0.898	79%	0.789	S	S	*	*			trans	66.9	147.7	176	-55.8	17.7	0	0	0	114.9
488	A	38.2	Very low	36.2	Very low	81 Å²	81	119.6 Å²	119.6	67%	0.669	79%	0.79	S	S	*	*			cis	-164.7	154.4	-25.4	0	0	0	0	0	108.1
489	F	40.3	Very low	36.4	Very low	218 Å²	218	115.4 Å²	115.4	96%	0.956	78%	0.781	S	S	*	*			trans	59.4	122.1	170.6	-88.8	-104.8	0	0	0	117.7
490	G	41.4	Very low	36.2	Very low	89 Å²	89	117.6 Å²	117.6	92%	0.918	79%	0.789	S	S	*	*	S	Bend	trans	159.8	-37.2	169	0	0	0	0	0	114.6
491	G	34.6	Very low	36.3	Very low	67 Å²	67	120.6 Å²	120.6	69%	0.691	80%	0.8	S	S	*	*	S	Bend	trans	169.1	177	176.7	0	0	0	0	0	114.4
492	L	50.3	Low	35.9	Very low	179 Å²	179	121 Å²	121	94%	0.937	80%	0.8	S	S	*	*			trans	57.5	61.3	168	-51.1	-176.5	0	0	0	116
493	G	30.2	Very low	35.9	Very low	72 Å²	72	126.6 Å²	126.6	74%	0.742	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.8	122.4	166	0	0	0	0	0	112.3	P495	G493-P495 WeakPolarHBondContact O-CD 3.04Å
494	N	33.2	Very low	36	Very low	161 Å²	161	124.9 Å²	124.9	86%	0.861	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.7	138.6	177.3	-66.2	-69.9	0	0	0	113
495	P	36.4	Very low	36	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	79%	0.791	S	S	*	*	P	Polyproline II helix		-88.3	128.7	122.3	36.7	-30.2	0	0	0	107.3	G493	G493-P495 WeakPolarHBondContact O-CD 3.04Å
496	S	32.6	Very low	35.7	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	78%	0.783	S	S	*	*				44.4	106.4	58.2	-155	0	0	0	0	110
497	V	34.5	Very low	35.6	Very low	125 Å²	125	131.5 Å²	131.5	76%	0.758	78%	0.783	S	S	*	*				-148.1	161.4	55.9	-170	0	0	0	0	111.5
498	T	31.5	Very low	35.3	Very low	122 Å²	122	126.7 Å²	126.7	75%	0.748	77%	0.773	S	S	*	*			trans	-43.7	172.5	154	12.4	0	0	0	0	114.9
499	P	44.1	Very low	35.3	Very low	97 Å²	97	128.8 Å²	128.8	63%	0.63	78%	0.779	S	S	*	*			cis	-138	179.6	-0.5	40.8	-22.5	0	0	0	117
500	N	30.8	Very low	34.7	Very low	155 Å²	155	123.3 Å²	123.3	83%	0.829	77%	0.768	S	S	*	*			trans	56.7	105.4	147.2	-62.1	-11	0	0	0	121.1
501	S	36.4	Very low	34.6	Very low	124 Å²	124	125 Å²	125	87%	0.867	76%	0.761	S	S	*	*				-159.8	143.4	97.5	-165.8	0	0	0	0	109.9
502	M	31.1	Very low	34.5	Very low	193 Å²	193	129.3 Å²	129.3	95%	0.951	76%	0.763	S	S	*	*			trans	-85.9	129.5	-170.7	-67	-148.7	-57.3	0	0	113.3
503	F	34.8	Very low	33.3	Very low	209 Å²	209	126.1 Å²	126.1	92%	0.917	75%	0.747	S	S	*	*			trans	-121	138.3	174.7	-162.4	-83.1	0	0	0	110
504	G	33.7	Very low	33.3	Very low	58 Å²	58	131.3 Å²	131.3	60%	0.598	75%	0.749	S	S	*	*			trans	62.8	109.3	150.1	0	0	0	0	0	121.2
505	H	32.3	Very low	33	Very low	164 Å²	164	129.2 Å²	129.2	76%	0.759	75%	0.747	S	S	*	*			trans	-157.2	134.2	152	-110.1	42.6	0	0	0	106.9
506	K	32	Very low	32.6	Very low	145 Å²	145	131.2 Å²	131.2	63%	0.63	75%	0.752	S	S	*	*			cis	-148.7	166.1	5.3	-81.4	-154.5	148.5	-64.9	0	108.5
507	D	30.1	Very low	33.1	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	75%	0.747	S	S	*	*			cis	-160.4	-166.2	-10.6	-106.7	14.9	0	0	0	108.1
508	G	33.1	Very low	33.1	Very low	66 Å²	66	128.3 Å²	128.3	68%	0.68	73%	0.727	S	S	*	*			trans	-80.1	-172.2	171.5	0	0	0	0	0	114.7
509	P	37.7	Very low	34	Very low	125 Å²	125	125.7 Å²	125.7	81%	0.812	71%	0.706	S	S	*	*			cis	-97.1	155.8	29	-4	26.2	0	0	0	114.5
510	S	28.3	Very low	33.7	Very low	103 Å²	103	126.3 Å²	126.3	72%	0.72	71%	0.71	S	S	*	*				63	118.1	71.9	-153.3	0	0	0	0	112.8
511	V	38.4	Very low	34.3	Very low	125 Å²	125	129 Å²	129	76%	0.758	71%	0.709	S	S	*	*			cis	-150.2	153.7	6.9	-116.7	0	0	0	0	113
512	Q	33	Very low	34.4	Very low	158 Å²	158	129.3 Å²	129.3	74%	0.738	70%	0.701	S	S	*	*			trans	-7.7	155.8	136.2	-67.5	-161.2	-2.6	0	0	119.2
513	N	26.4	Very low	35	Very low	111 Å²	111	131.9 Å²	131.9	59%	0.594	70%	0.7	S	S	*	*			cis	-157.5	176.1	10.9	-121.7	-0.5	0	0	0	113.9
514	F	29.5	Very low	35.4	Very low	181 Å²	181	126.7 Å²	126.7	79%	0.794	68%	0.681	S	S	*	*			trans	-41.1	146.9	175.9	-44.4	-91.1	0	0	0	117.8
515	S	25.9	Very low	36	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	70%	0.697	S	S	*	*				-177.1	155.4	109.3	35.3	0	0	0	0	113.8
516	N	27.9	Very low	36.3	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	70%	0.7	S	S	*	*			trans	-112.2	170	172.6	-156.3	28.4	0	0	0	107.2
517	P	43.9	Very low	36.7	Very low	96 Å²	96	134.7 Å²	134.7	62%	0.623	70%	0.704	S	S	*	*			cis	-126.4	-170.1	-20	31.8	-10.5	0	0	0	113.6
518	H	35.1	Very low	37.1	Very low	71 Å²	71	134.4 Å²	134.4	33%	0.329	71%	0.708	S	S	.	*			trans	75.3	98	149.7	-140.5	-82.7	0	0	0	121.8	D557	H518-D557 IonicContact CD2-OD1 3.49Å; H518-D557 PolarHBondContact CD2-OD1 2.68Å; H518-D557 IonicContact CD2-OD2 2.92Å; H518-D557 WeakPolarHBondContact NE2-CB 3.2Å; H518-D557 IonicContact NE2-OD1 3.69Å; H518-D557 IonicContact NE2-OD2 3.67Å
519	E	48.8	Very low	37.6	Very low	66 Å²	66	137.5 Å²	137.5	31%	0.308	72%	0.716	S	S	.	*			trans	40.7	130.3	141.2	-52.4	-171.5	149.9	0	0	123.6	W521 R556	E519-W521 PolarHBondContact OE1-NE1 2.87Å; E519-W521 PolarHBondContact OE2-NE1 2.92Å; E519-R556 WeakPolarHBondContact OE1-CD 3.36Å; E519-R556 IonicContact OE1-CZ 3.77Å; E519-R556 IonicContact OE1-NE 3.1Å; E519-R556 IonicContact OE1-NH1 3.96Å; E519-R556 PolarHBondContact OE1-NH1 2.7Å
520	P	37.6	Very low	37.6	Very low	110 Å²	110	136.9 Å²	136.9	71%	0.714	72%	0.715	S	S	*	*			trans	-113.9	104.1	144.8	34.3	-23.7	0	0	0	112	N522	P520-N522 PolarHBondContact O-N 3.22Å
521	W	43.7	Very low	37.8	Very low	211 Å²	211	140.2 Å²	140.2	80%	0.799	72%	0.717	S	S	*	*			trans	-65	24.9	176.3	-97.2	77	0	0	0	115.6	E519	E519-W521 PolarHBondContact OE1-NE1 2.87Å; E519-W521 PolarHBondContact OE2-NE1 2.92Å
522	N	39	Very low	38.1	Very low	131 Å²	131	140 Å²	140	70%	0.701	72%	0.718	S	S	*	*			trans	-122.4	58.2	-161.3	-80	-59	0	0	0	114.3	P520	P520-N522 PolarHBondContact O-N 3.22Å
523	R	43.5	Very low	38.1	Very low	248 Å²	248	137.8 Å²	137.8	94%	0.936	72%	0.715	S	S	*	*	S	Bend	trans	-120.4	47.6	156.2	-144.1	173.7	-148.9	-110	2	114.4
524	L	43.4	Very low	38.9	Very low	100 Å²	100	137.9 Å²	137.9	52%	0.524	72%	0.722	S	S	.	*			trans	41.9	106.5	147.3	-73	72.4	0	0	0	117.2	R526	L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 WeakPolarHBondContact O-CG 3.48Å; L524-R526 PolarHBondContact O-N 3.49Å
525	H	46.9	Very low	39.2	Very low	200 Å²	200	134.7 Å²	134.7	93%	0.926	72%	0.72	S	S	*	*				38.3	46.7	120.5	-60	-75	0	0	0	118
526	R	39.1	Very low	39.8	Very low	221 Å²	221	134.3 Å²	134.3	83%	0.834	72%	0.715	S	S	*	*			trans	-134.9	111.6	177.3	-72.7	-175.4	-176.5	-108	-0.3	111.3	L524	L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 WeakPolarHBondContact O-CG 3.48Å; L524-R526 PolarHBondContact O-N 3.49Å
527	T	40.2	Very low	40	Very low	114 Å²	114	137.6 Å²	137.6	70%	0.699	72%	0.716	S	S	*	*			trans	-65	135.1	162.6	36.7	0	0	0	0	110.5
528	P	37.7	Very low	39.9	Very low	116 Å²	116	140.5 Å²	140.5	75%	0.753	73%	0.725	S	S	*	*			trans	-61	147	155	-21.4	34.6	0	0	0	110.3	S530	P528-S530 PolarHBondContact O-N 2.8Å
529	P	43.8	Very low	39.8	Very low	131 Å²	131	142.6 Å²	142.6	85%	0.851	73%	0.733	S	S	*	*	S	Bend	trans	-94.2	83.7	-156.7	35.8	-37.2	0	0	0	115.1
530	S	38	Very low	39.1	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	75%	0.746	S	S	*	*			trans	-167.2	104.4	155.1	49.5	0	0	0	0	113	P528	P528-S530 PolarHBondContact O-N 2.8Å
531	F	32.2	Very low	38.7	Very low	173 Å²	173	142 Å²	142	76%	0.759	75%	0.748	S	S	*	*			trans	-74	166.5	158.9	-103.3	-112.9	0	0	0	110
532	P	43.7	Very low	38	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	75%	0.75	S	S	*	*			cis	-137.7	175.1	20.7	42.5	-24.6	0	0	0	118
533	T	34	Very low	37.6	Very low	112 Å²	112	139.2 Å²	139.2	69%	0.687	74%	0.743	S	S	*	*			trans	-72.2	-179.8	155.9	11.1	0	0	0	0	111.5
534	P	43.1	Very low	37.1	Very low	114 Å²	114	131 Å²	131	74%	0.74	72%	0.715	S	S	*	*			cis	-124.4	-135.3	1.3	37.5	-13.6	0	0	0	109.7
535	P	36.7	Very low	36.9	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	72%	0.721	S	S	*	*			cis	-123.3	-109.5	-20.1	27.7	-0.5	0	0	0	115.1
536	P	36.8	Very low	36.3	Very low	109 Å²	109	128.4 Å²	128.4	71%	0.708	70%	0.702	S	S	*	*			trans	-134.2	145.3	-139.3	38.9	-15.9	0	0	0	120.3
537	W	33.5	Very low	35.8	Very low	221 Å²	221	119.5 Å²	119.5	84%	0.837	68%	0.675	S	S	*	*			trans	39.5	111.7	146.6	-92.4	58.9	0	0	0	121.7	K405	K405-W537 HydrophobicContact CD-CH2 4.36Å; K405-W537 HydrophobicContact CD-CZ3 4.09Å
538	L	40.3	Very low	35.4	Very low	157 Å²	157	117 Å²	117	82%	0.822	66%	0.663	S	S	*	*			trans	-99	159.3	164.2	-64.1	174.5	0	0	0	113.4	K405	K405-L538 PolarHBondContact NZ-O 3.35Å
539	K	33.4	Very low	34.9	Very low	114 Å²	114	115 Å²	115	50%	0.496	66%	0.656	S	S	.	*			trans	167.4	162.3	135.1	-87.8	-151.7	-167.4	-169.1	0	108.3	H404 K405	H404-K539 VanDerWaalsContact O-CD 3.22Å; H404-K539 WeakPolarHBondContact O-CD 3.42Å; K405-K539 HydrophobicContact CD-CD 3.8Å; K405-K539 HydrophobicContact CD-CG 4.29Å; K405-K539 HydrophobicContact CG-CD 4.37Å; K405-K539 PolarHBondContact O-NZ 3.46Å
540	P	34.1	Very low	34.3	Very low	90 Å²	90	112.5 Å²	112.5	58%	0.584	65%	0.647	S	S	*	*			cis	-118.4	177.3	-3.3	39.4	-26.2	0	0	0	113.4	H404	H404-P540 HydrophobicContact CB-CB 3.83Å; H404-P540 HydrophobicContact CB-CG 3.89Å
541	G	30.1	Very low	34.1	Very low	73 Å²	73	111.8 Å²	111.8	75%	0.753	65%	0.647	S	S	*	*			trans	116.2	99.1	164.2	0	0	0	0	0	115.7
542	E	29.1	Very low	34.5	Very low	180 Å²	180	111 Å²	111	84%	0.841	65%	0.645	S	S	*	*			trans	56.9	150.9	151.3	-128.4	-176.5	-153.9	0	0	123.4
543	L	30.3	Very low	34.1	Very low	104 Å²	104	110.3 Å²	110.3	55%	0.545	64%	0.635	S	S	.	*			trans	76.4	103.9	143.1	-140.4	58.3	0	0	0	121	F777	L543-F777 HydrophobicContact CG-CE2 4.49Å
544	E	33.1	Very low	34.6	Very low	76 Å²	76	114.5 Å²	114.5	36%	0.355	64%	0.639	S	S	.	*			trans	92.4	80.9	144.4	-68.4	-173.7	179.2	0	0	123	F777	E544-F777 HydrophobicContact CB-CD2 4.02Å; E544-F777 HydrophobicContact CB-CE2 4.14Å
545	R	38.8	Very low	34.6	Very low	169 Å²	169	114.4 Å²	114.4	64%	0.638	63%	0.632	S	S	*	*				70.6	133.3	119.5	-67.8	-176.5	-151.6	105.7	17.5	120.7
546	S	35.4	Very low	35	Very low	76 Å²	76	112.2 Å²	112.2	53%	0.531	61%	0.609	S	S	.	*			trans	80.4	134.9	145.4	-67.2	0	0	0	0	118.9	M774 T775	S546-M774 WeakPolarHBondContact CB-O 3.3Å; S546-T775 WeakPolarHBondContact O-CG2 3.35Å; S546-T775 PolarHBondContact O-N 3.18Å
547	A	27.5	Very low	35.3	Very low	34 Å²	34	110 Å²	110	28%	0.281	59%	0.591	S	S	.	*			cis	-153.1	133.3	-2.5	0	0	0	0	0	116.3	R772 M773	A547-R772 WeakPolarHBondContact O-CB 2.96Å; A547-R772 WeakPolarHBondContact O-CG 3.41Å; A547-M773 WeakPolarHBondContact CB-O 3.48Å
548	S	31.2	Very low	35.7	Very low	63 Å²	63	102.5 Å²	102.5	44%	0.441	57%	0.569	S	S	.	*			trans	63.7	166.9	139.7	-48.4	0	0	0	0	121	T771 R772	S548-T771 WeakPolarHBondContact CB-O 3.45Å; S548-T771 PolarHBondContact OG-O 2.85Å; S548-R772 VanDerWaalsContact O-CD 3.29Å; S548-R772 WeakPolarHBondContact O-CD 3.44Å; S548-R772 WeakPolarHBondContact O-CG 3.02Å; S548-R772 PolarHBondContact O-NE 2.82Å; S548-R772 PolarHBondContact O-NH1 3.16Å
549	A	28.4	Very low	35.9	Very low	73 Å²	73	97.6 Å²	97.6	60%	0.603	54%	0.544	S	S	*	.			trans	-102.1	-165.4	-172.4	0	0	0	0	0	112.5	R772	A549-R772 VanDerWaalsContact C-CZ 3.41Å; A549-R772 VanDerWaalsContact C-NH2 3.3Å; A549-R772 WeakPolarHBondContact O-CG 3.3Å; A549-R772 PolarHBondContact O-NE 3.49Å
550	A	30.5	Very low	36.1	Very low	79 Å²	79	100.1 Å²	100.1	65%	0.653	56%	0.555	S	S	*	*			cis	-154.3	-156.9	7.3	0	0	0	0	0	111.1
551	A	33.4	Very low	36.6	Very low	98 Å²	98	104.4 Å²	104.4	81%	0.81	56%	0.56	S	S	*	*			trans	74.1	148.2	164.3	0	0	0	0	0	118.2
552	H	40.3	Very low	36.8	Very low	155 Å²	155	107.5 Å²	107.5	72%	0.718	56%	0.559	S	S	*	*			cis	-155.1	-172.3	-4.2	-157.1	-109.3	0	0	0	112.6
553	D	35.9	Very low	37	Very low	105 Å²	105	104 Å²	104	56%	0.561	55%	0.554	S	S	*	*			trans	66.4	125.7	169.1	-90.2	-129.6	0	0	0	117.4	R556	D553-R556 IonicContact OD1-CZ 3.18Å; D553-R556 IonicContact OD1-NH1 3.01Å; D553-R556 PolarHBondContact OD1-NH1 2.67Å; D553-R556 IonicContact OD1-NH2 3.09Å; D553-R556 PolarHBondContact OD1-NH2 3.04Å
554	R	44.1	Very low	37.2	Very low	201 Å²	201	103.7 Å²	103.7	76%	0.758	56%	0.561	S	S	*	*			cis	64.4	141.5	6.9	-97.4	-176.5	-174.4	160.4	4	115.9	R556	R554-R556 PolarHBondContact O-NH2 3.12Å
555	D	43.7	Very low	37.1	Very low	111 Å²	111	106.6 Å²	106.6	59%	0.594	58%	0.584	S	S	*	*			cis	-121.7	-94.4	13	-57.2	91.9	0	0	0	114.7
556	R	45.6	Very low	36.5	Very low	68 Å²	68	103.1 Å²	103.1	26%	0.257	59%	0.585	S	S	.	*			cis	-162.6	152.3	-7.5	-152.9	155.4	-72.5	143.4	3.4	112.9	P223 E519 D553 R554	P223-R556 WeakPolarHBondContact CD-O 3.47Å; E519-R556 WeakPolarHBondContact OE1-CD 3.36Å; E519-R556 IonicContact OE1-CZ 3.77Å; E519-R556 IonicContact OE1-NE 3.1Å; E519-R556 IonicContact OE1-NH1 3.96Å; E519-R556 PolarHBondContact OE1-NH1 2.7Å; D553-R556 IonicContact OD1-CZ 3.18Å; D553-R556 IonicContact OD1-NH1 3.01Å; D553-R556 PolarHBondContact OD1-NH1 2.67Å; D553-R556 IonicContact OD1-NH2 3.09Å; D553-R556 PolarHBondContact OD1-NH2 3.04Å; R554-R556 PolarHBondContact O-NH2 3.12Å
557	D	43.5	Very low	36.3	Very low	63 Å²	63	108 Å²	108	34%	0.337	60%	0.597	S	S	.	*			trans	50.2	80.1	158.1	-79.5	-128.5	0	0	0	127.2	P223 H518	P223-D557 VanDerWaalsContact CD-C 3.43Å; P223-D557 VanDerWaalsContact CD-O 3.3Å; P223-D557 WeakPolarHBondContact CD-O 3.2Å; H518-D557 IonicContact CD2-OD1 3.49Å; H518-D557 PolarHBondContact CD2-OD1 2.68Å; H518-D557 IonicContact CD2-OD2 2.92Å; H518-D557 WeakPolarHBondContact NE2-CB 3.2Å; H518-D557 IonicContact NE2-OD1 3.69Å; H518-D557 IonicContact NE2-OD2 3.67Å
558	V	41.2	Very low	36.4	Very low	63 Å²	63	110.5 Å²	110.5	38%	0.382	61%	0.605	S	S	.	*				51.1	132.4	114.3	-52.9	0	0	0	0	127.2	P223 L224	P223-V558 CarbonylContact O-C 3.47Å; P223-V558 WeakPolarHBondContact O-CA 3.26Å; L224-V558 HydrophobicContact CB-CG1 4.46Å; L224-V558 HydrophobicContact CD1-CG1 4.03Å
559	D	45.1	Very low	36.3	Very low	54 Å²	54	113.4 Å²	113.4	29%	0.289	62%	0.616	S	S	.	*			trans	45.5	127.2	135.6	-75.7	-103.8	0	0	0	122.9	P223 R561	P223-D559 PolarHBondContact O-N 3.24Å; D559-R561 IonicContact OD1-CZ 2.7Å; D559-R561 VanDerWaalsContact OD1-CZ 3.32Å; D559-R561 IonicContact OD1-NE 3.32Å; D559-R561 PolarHBondContact OD1-NE 3.44Å; D559-R561 VanDerWaalsContact OD1-NE 3.1Å; D559-R561 IonicContact OD1-NH2 3.6Å; D559-R561 PolarHBondContact OD1-NH2 3.42Å
560	K	37.7	Very low	36.6	Very low	167 Å²	167	118.5 Å²	118.5	73%	0.726	63%	0.625	S	S	*	*				179.7	123.2	126.1	41.7	-144.8	143.3	-77.8	0	109.3
561	R	43.3	Very low	37.1	Very low	181 Å²	181	119.1 Å²	119.1	68%	0.683	61%	0.614	S	S	*	*			cis	51.6	113.9	19.3	-79	-155.4	-67.9	172.2	-4.1	113.9	D559	D559-R561 IonicContact OD1-CZ 2.7Å; D559-R561 VanDerWaalsContact OD1-CZ 3.32Å; D559-R561 IonicContact OD1-NE 3.32Å; D559-R561 PolarHBondContact OD1-NE 3.44Å; D559-R561 VanDerWaalsContact OD1-NE 3.1Å; D559-R561 IonicContact OD1-NH2 3.6Å; D559-R561 PolarHBondContact OD1-NH2 3.42Å
562	D	34.5	Very low	37.4	Very low	137 Å²	137	126.2 Å²	126.2	73%	0.733	62%	0.62	S	S	*	*			cis	-149.3	-178.1	1.5	-83.2	-51.4	0	0	0	107.8
563	S	33.1	Very low	36.8	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	63%	0.625	S	S	*	*			cis	-156.7	-174.5	19.4	-160.1	0	0	0	0	113.1
564	S	35.6	Very low	36.7	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	63%	0.628	S	S	*	*			trans	-62.9	158.7	171.4	58.6	0	0	0	0	115.4
565	V	29.8	Very low	36	Very low	137 Å²	137	121.9 Å²	121.9	83%	0.83	62%	0.622	S	S	*	*				168.3	147.7	108.5	67	0	0	0	0	113.1
566	S	26.3	Very low	35.7	Very low	96 Å²	96	124.2 Å²	124.2	67%	0.671	63%	0.629	S	S	*	*			trans	132.6	128.2	138	-161.8	0	0	0	0	117
567	K	30.9	Very low	35.2	Very low	178 Å²	178	128.4 Å²	128.4	77%	0.774	65%	0.65	S	S	*	*			trans	71.8	89.3	154.2	-78.2	-179	173.9	-176.1	0	121.1
568	D	29.9	Very low	34.9	Very low	86 Å²	86	133.6 Å²	133.6	46%	0.46	66%	0.664	S	S	.	*				19.8	148.6	104.1	-44.8	-117.4	0	0	0	121	H858	D568-H858 WeakPolarHBondContact CA-O 3.26Å
569	D	28.5	Very low	34.6	Very low	125 Å²	125	135.4 Å²	135.4	67%	0.668	67%	0.668	S	S	*	*			trans	74.3	90.5	149	-157.8	-86.9	0	0	0	120.5
570	K	36.5	Very low	33.8	Very low	180 Å²	180	135.1 Å²	135.1	78%	0.783	67%	0.671	S	S	*	*	S	Bend	trans	-161.9	30.8	141	-139.6	70.3	-157.4	164.5	0	121.2
571	E	41.2	Very low	33.3	Very low	91 Å²	91	131.6 Å²	131.6	43%	0.425	67%	0.667	S	S	.	*			trans	-151.9	103.8	155.4	43.7	178.3	-131.7	0	0	113.9	H860 H861	E571-H860 HydrophobicContact CG-CB 4.07Å; E571-H860 IonicContact OE1-CE1 3.26Å; E571-H860 PolarHBondContact OE1-CE1 2.78Å; E571-H860 VanDerWaalsContact OE1-CE1 3.26Å; E571-H860 IonicContact OE1-ND1 3.94Å; E571-H861 IonicContact OE1-CD2 2.8Å
572	R	38.7	Very low	32.7	Very low	247 Å²	247	131.8 Å²	131.8	93%	0.932	68%	0.675	S	S	*	*			trans	-131.2	38.1	173.2	-160.4	-154.8	-178.3	115.5	1	111.6
573	E	28.5	Very low	32.5	Very low	175 Å²	175	131.1 Å²	131.1	82%	0.818	68%	0.679	S	S	*	*			trans	-150	148.9	169.1	-91.2	-169.7	113.9	0	0	107.7
574	S	32.3	Very low	32.1	Very low	90 Å²	90	131 Å²	131	63%	0.629	68%	0.678	S	S	*	*			cis	-147.1	-178.3	2.1	-139.8	0	0	0	0	113.4
575	V	30.5	Very low	32	Very low	106 Å²	106	132 Å²	132	64%	0.642	68%	0.682	S	S	*	*			trans	-45.7	156.1	158.9	-59.4	0	0	0	0	111.4
576	E	37.6	Very low	31.7	Very low	159 Å²	159	129.4 Å²	129.4	74%	0.743	68%	0.675	S	S	*	*			cis	-148.1	145.8	30.3	-105.8	108	-166.8	0	0	110.9
577	K	35.4	Very low	32.1	Very low	157 Å²	157	130.1 Å²	130.1	68%	0.683	68%	0.677	S	S	*	*				52.7	97.7	88	-80	173.7	-179.5	158.8	0	117.9
578	R	37	Very low	31.9	Very low	171 Å²	171	127.3 Å²	127.3	65%	0.645	68%	0.675	S	S	*	*			trans	71.8	168.6	146.6	-42.6	-179.2	-158	116.1	-8.7	115.4
579	H	34.9	Very low	31.9	Very low	101 Å²	101	130.8 Å²	130.8	47%	0.468	69%	0.692	S	S	.	*			cis	-144.4	145.6	12.2	-61.6	-115.7	0	0	0	113.3	E620	H579-E620 IonicContact CE1-OE1 3.26Å; H579-E620 PolarHBondContact CE1-OE1 3.37Å; H579-E620 VanDerWaalsContact CE1-OE1 3.26Å; H579-E620 IonicContact ND1-OE1 3.27Å; H579-E620 PolarHBondContact ND1-OE1 3.09Å
580	S	27.9	Very low	32.3	Very low	49 Å²	49	129.6 Å²	129.6	34%	0.343	69%	0.692	S	S	.	*			trans	68.4	146.5	135.3	-164.6	0	0	0	0	124.7	R621	S580-R621 WeakPolarHBondContact CA-O 3.48Å; S580-R621 WeakPolarHBondContact CB-O 3.45Å; S580-R621 WeakPolarHBondContact OG-CA 3.19Å; S580-R621 PolarHBondContact OG-N 2.84Å; S580-R621 PolarHBondContact OG-O 3.28Å; S580-R621 VanDerWaalsContact OG-O 3.13Å
581	S	27.8	Very low	32	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	69%	0.688	S	S	*	*			trans	75.6	109.8	142.5	36.9	0	0	0	0	121.9
582	H	29.8	Very low	31.2	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.856	71%	0.706	S	S	*	*			trans	-42.3	153.3	143	-62.5	-71.6	0	0	0	112.9
583	P	30.7	Very low	30.7	Very low	124 Å²	124	121.9 Å²	121.9	81%	0.805	70%	0.696	S	S	*	*				-132.2	166	65.9	39.3	-26	0	0	0	116.5
584	S	24.8	Very low	30.8	Very low	105 Å²	105	121 Å²	121	73%	0.734	70%	0.696	S	S	*	*			trans	-77.7	155.5	161	-148.7	0	0	0	0	109.3
585	P	33.1	Very low	30.5	Very low	119 Å²	119	120.2 Å²	120.2	77%	0.773	70%	0.703	S	S	*	*				-141.5	176.3	75.5	39.9	-23.9	0	0	0	115.3
586	A	24.2	Very low	30.4	Very low	82 Å²	82	122.8 Å²	122.8	68%	0.678	71%	0.708	S	S	*	*			trans	-66.8	172.6	155.9	0	0	0	0	0	110.2
587	P	34.3	Very low	29.9	Very low	110 Å²	110	119.8 Å²	119.8	71%	0.714	70%	0.7	S	S	*	*			cis	-146.2	-160.9	25.9	41.3	-18	0	0	0	115.9
588	V	27.4	Very low	29.6	Very low	120 Å²	120	122.3 Å²	122.3	73%	0.727	71%	0.705	S	S	*	*			trans	56.3	116.4	168.2	-64.9	0	0	0	0	117.5
589	L	27.9	Very low	29.1	Very low	158 Å²	158	118 Å²	118	83%	0.827	70%	0.701	S	S	*	*				62.1	142	61.5	-65.9	-173.6	0	0	0	114.1
590	P	38.3	Very low	28.7	Very low	101 Å²	101	116.7 Å²	116.7	66%	0.656	70%	0.704	S	S	*	*			cis	-140.9	-161.1	-17.7	39.2	-19.2	0	0	0	113.2
591	V	29.7	Very low	28.7	Very low	116 Å²	116	118 Å²	118	70%	0.703	71%	0.71	S	S	*	*			trans	70.6	105.6	150.6	161.7	0	0	0	0	114.9
592	N	24	Very low	28.9	Very low	150 Å²	150	121.2 Å²	121.2	80%	0.802	71%	0.714	S	S	*	*				56.1	135.5	76.6	-63.4	-5.7	0	0	0	112.8
593	A	29.3	Very low	28.8	Very low	89 Å²	89	120.5 Å²	120.5	74%	0.736	71%	0.711	S	S	*	*			cis	-173	-159.2	-10.2	0	0	0	0	0	106.8
594	L	30.7	Very low	29	Very low	156 Å²	156	122.3 Å²	122.3	82%	0.817	71%	0.713	S	S	*	*			trans	80.7	36.8	142.8	-149.5	64	0	0	0	120.6
595	G	25.2	Very low	29.2	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	72%	0.715	S	S	*	*				66.4	-149.6	127.9	0	0	0	0	0	119.9
596	H	29.3	Very low	28.8	Very low	161 Å²	161	124.1 Å²	124.1	75%	0.745	70%	0.7	S	S	*	*			trans	52.6	82.2	177.5	-64.9	102.6	0	0	0	116
597	T	26.3	Very low	28.9	Very low	95 Å²	95	128.4 Å²	128.4	58%	0.583	71%	0.705	S	S	*	*				156.8	155.3	70.4	42.9	0	0	0	0	105.4
598	R	29.5	Very low	28.7	Very low	211 Å²	211	130.8 Å²	130.8	80%	0.796	71%	0.711	S	S	*	*			cis	-166.7	170.5	47.7	46.3	-131.1	74.2	-162.6	5.5	110.5
599	S	25.4	Very low	28.5	Very low	80 Å²	80	131.8 Å²	131.8	56%	0.559	71%	0.712	S	S	*	*			trans	-53.9	166.7	176.6	44.9	0	0	0	0	115	H208	H208-S599 PolarHBondContact CD2-O 3.43Å; H208-S599 VanDerWaalsContact CD2-O 3.24Å; H208-S599 PolarHBondContact CD2-OG 2.88Å; H208-S599 PolarHBondContact NE2-O 3.17Å
600	S	26.7	Very low	28.6	Very low	74 Å²	74	128.8 Å²	128.8	52%	0.517	70%	0.701	S	S	.	*			cis	-170.2	-137.2	-30.7	76.7	0	0	0	0	108.2	H208	H208-S600 VanDerWaalsContact CB-OG 3.29Å; H208-S600 WeakPolarHBondContact CB-OG 3.49Å; H208-S600 PolarHBondContact CD2-N 3.26Å; H208-S600 PolarHBondContact CE1-N 3.4Å; H208-S600 PolarHBondContact CE1-O 3.21Å; H208-S600 VanDerWaalsContact CG-N 3.32Å; H208-S600 PolarHBondContact ND1-N 2.82Å; H208-S600 PolarHBondContact ND1-OG 2.86Å; H208-S600 PolarHBondContact NE2-N 3.24Å
601	T	28.7	Very low	28.2	Very low	77 Å²	77	132.8 Å²	132.8	47%	0.472	71%	0.711	S	S	.	*			trans	43.5	111.9	169.6	-49.5	0	0	0	0	120.2	H208	H208-T601 WeakPolarHBondContact ND1-CB 3.33Å; H208-T601 PolarHBondContact ND1-N 3.49Å; H208-T601 PolarHBondContact ND1-OG1 2.9Å
602	E	31.4	Very low	28.4	Very low	158 Å²	158	131.9 Å²	131.9	74%	0.738	72%	0.716	S	S	*	*			trans	-19.6	143.4	152.9	-64.3	94.8	123.9	0	0	118.7
603	Q	28.3	Very low	28.8	Very low	170 Å²	170	135 Å²	135	79%	0.794	72%	0.716	S	S	*	*				-152.9	142	106.3	-114.3	178.4	41	0	0	113.9
604	I	34.7	Very low	29.1	Very low	163 Å²	163	136.3 Å²	136.3	84%	0.836	71%	0.707	S	S	*	*			trans	-80.2	116.8	171.4	-63.7	165.1	0	0	0	108.7
605	R	28.2	Very low	29	Very low	208 Å²	208	137.2 Å²	137.2	79%	0.785	70%	0.704	S	S	*	*			trans	-153.2	105.1	157	-159.1	169.1	-64.2	178.3	4.5	107.9
606	A	25	Very low	29.4	Very low	54 Å²	54	139 Å²	139	45%	0.446	70%	0.696	S	S	.	*				71.8	70.8	60.1	0	0	0	0	0	113.7
607	H	26.8	Very low	29.5	Very low	172 Å²	172	139.6 Å²	139.6	80%	0.796	70%	0.697	S	S	*	*			trans	73.8	165	144.7	-33.1	-63.2	0	0	0	119.5
608	L	29.1	Very low	30.8	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	71%	0.707	S	S	*	*			trans	76	136.9	172.3	-47.2	-177	0	0	0	115
609	N	24.3	Very low	30.8	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	71%	0.706	S	S	*	*			cis	-158.2	172.9	-3.6	-146.6	-6	0	0	0	114
610	T	28.8	Very low	31.2	Very low	95 Å²	95	139.1 Å²	139.1	58%	0.583	70%	0.696	S	S	*	*			trans	75.2	95.5	147.6	-54.1	0	0	0	0	121.3
611	E	29.9	Very low	31.6	Very low	186 Å²	186	141 Å²	141	87%	0.869	69%	0.691	S	S	*	*				59.7	140	128	-58.1	-177.4	103.6	0	0	125.3
612	A	34.1	Very low	31.8	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	69%	0.692	S	S	*	*			trans	119.6	94.1	136.7	0	0	0	0	0	122
613	R	33.6	Very low	32	Very low	214 Å²	214	143.1 Å²	143.1	81%	0.808	69%	0.689	S	S	*	*				93.1	113.3	118.2	-164.5	174.7	176.8	159.3	5.1	123.9
614	E	34.8	Very low	32.1	Very low	117 Å²	117	141.2 Å²	141.2	55%	0.547	68%	0.684	S	S	.	*			trans	67.2	160.6	155.4	-67.1	-176.1	78.5	0	0	118.5
615	K	28.4	Very low	32	Very low	175 Å²	175	141 Å²	141	76%	0.761	68%	0.679	S	S	*	*			cis	-171.6	-177.6	-13.5	-104.5	-177.9	177.8	149.1	0	108.1
616	D	34.5	Very low	32	Very low	112 Å²	112	137 Å²	137	60%	0.599	68%	0.683	S	S	*	*			cis	-174.2	139.7	-46.3	-173.8	-140.5	0	0	0	112.6
617	K	30.9	Very low	32.3	Very low	174 Å²	174	143.9 Å²	143.9	76%	0.757	71%	0.706	S	S	*	*			trans	88.5	154.4	156.2	-79.5	-174.9	-177.5	93.3	0	126.3
618	P	53.4	Low	32.4	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	71%	0.707	S	S	*	*			trans	-151.7	-148.7	-139.4	44.9	-18.8	0	0	0	117.9
619	K	30.8	Very low	32.2	Very low	182 Å²	182	144 Å²	144	79%	0.791	71%	0.706	S	S	*	*			trans	128.7	162.7	156.9	-172	170.8	-174.1	175.2	0	116.1
620	E	33.5	Very low	32.5	Very low	72 Å²	72	144.9 Å²	144.9	34%	0.336	70%	0.703	S	S	.	*			cis	-165.2	178.5	-46.2	-93.1	-167.5	112.2	0	0	108.9	H579	H579-E620 IonicContact CE1-OE1 3.26Å; H579-E620 PolarHBondContact CE1-OE1 3.37Å; H579-E620 VanDerWaalsContact CE1-OE1 3.26Å; H579-E620 IonicContact ND1-OE1 3.27Å; H579-E620 PolarHBondContact ND1-OE1 3.09Å
621	R	34.9	Very low	32.3	Very low	113 Å²	113	145.9 Å²	145.9	43%	0.426	71%	0.705	S	S	.	*			cis	-140.6	-98.5	6.2	-146.9	-167.4	156.3	74.3	5.6	121.1	S580	S580-R621 WeakPolarHBondContact CA-O 3.48Å; S580-R621 WeakPolarHBondContact CB-O 3.45Å; S580-R621 WeakPolarHBondContact OG-CA 3.19Å; S580-R621 PolarHBondContact OG-N 2.84Å; S580-R621 PolarHBondContact OG-O 3.28Å; S580-R621 VanDerWaalsContact OG-O 3.13Å
622	E	32.4	Very low	32.2	Very low	106 Å²	106	145.5 Å²	145.5	50%	0.495	71%	0.708	S	S	.	*			trans	-175.5	147.7	-143.6	173.1	-167.1	82.9	0	0	117.3
623	R	34.6	Very low	31.8	Very low	175 Å²	175	145.6 Å²	145.6	66%	0.66	71%	0.709	S	S	*	*			trans	143.9	164.1	135.7	-154.2	160.1	-63.2	162.9	4.7	118.9
624	D	32.2	Very low	31.6	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	71%	0.708	S	S	*	*			trans	-155.6	175.9	-156.9	-162.5	-18.6	0	0	0	114.6
625	H	32.2	Very low	31.4	Very low	158 Å²	158	140.8 Å²	140.8	73%	0.731	72%	0.716	S	S	*	*			trans	92.4	132.7	155.1	-56.8	-18.9	0	0	0	124.2
626	S	28.3	Very low	31.7	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	71%	0.709	S	S	*	*				172.1	142	113.7	44.1	0	0	0	0	116.7
627	E	30.1	Very low	32	Very low	199 Å²	199	141.2 Å²	141.2	93%	0.93	72%	0.717	S	S	*	*			trans	-145.5	156.7	165.2	-79.5	-165.5	141.9	0	0	109.7
628	S	30.3	Very low	32	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	72%	0.721	S	S	*	*			trans	-168	133.4	164.2	-149.3	0	0	0	0	116.4
629	R	25.3	Very low	31	Very low	217 Å²	217	140.5 Å²	140.5	82%	0.819	72%	0.717	S	S	*	*				137.1	103.2	110.4	-170.6	166.8	-176.5	165.9	3.1	116.6
630	K	29.1	Very low	30.9	Very low	158 Å²	158	142 Å²	142	69%	0.687	72%	0.723	S	S	*	*				50	156.7	128.9	-69.2	-176.3	144.3	-71	0	120.7
631	D	25.5	Very low	30.5	Very low	117 Å²	117	147.2 Å²	147.2	63%	0.626	75%	0.748	S	S	*	*			cis	-159.9	161.8	-2.1	-103.3	-26	0	0	0	107.3
632	L	27.2	Very low	30.1	Very low	178 Å²	178	145.1 Å²	145.1	93%	0.932	76%	0.761	S	S	*	*			trans	-173.7	148.6	135.5	-105.1	169.9	0	0	0	110.4
633	A	25.9	Very low	30	Very low	98 Å²	98	147.2 Å²	147.2	81%	0.81	77%	0.77	S	S	*	*			trans	-141.5	141.7	-179.5	0	0	0	0	0	111.2
634	A	29.6	Very low	29.6	Very low	95 Å²	95	145.4 Å²	145.4	79%	0.785	77%	0.773	S	S	*	*			trans	176.5	145.5	173.7	0	0	0	0	0	107.6
635	D	29.7	Very low	30.4	Very low	136 Å²	136	144 Å²	144	73%	0.727	77%	0.772	S	S	*	*			cis	-159.6	148.1	-17.8	-135.1	-162.6	0	0	0	109.7
636	E	34.6	Very low	30	Very low	132 Å²	132	144.3 Å²	144.3	62%	0.617	77%	0.773	S	S	*	*			trans	19.1	145	133	-61.2	-164.5	153.9	0	0	120.2
637	H	40.9	Very low	29.9	Very low	163 Å²	163	145 Å²	145	76%	0.755	76%	0.761	S	S	*	*			cis	-176.4	170.1	18.1	-115.3	4.8	0	0	0	109.1
638	K	31.9	Very low	29.7	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.857	75%	0.75	S	S	*	*				-173.1	103.9	119.8	-101.1	-68.7	173.2	-174.7	0	116.3
639	A	32	Very low	29.5	Very low	83 Å²	83	139.3 Å²	139.3	69%	0.686	74%	0.742	S	S	*	*			trans	-23.2	155.2	160.2	0	0	0	0	0	121.4
640	K	28.3	Very low	29.6	Very low	214 Å²	214	138.7 Å²	138.7	93%	0.93	75%	0.748	S	S	*	*				-150.9	144	122	-121	174	-176.2	176.2	0	113.3
641	E	26.6	Very low	29.6	Very low	182 Å²	182	134.3 Å²	134.3	85%	0.85	75%	0.748	S	S	*	*			trans	-132.8	150.6	176.5	-172.4	-170.5	165.9	0	0	110.2
642	G	25.4	Very low	29.9	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	76%	0.76	S	S	*	*			trans	-159.9	103.6	155.1	0	0	0	0	0	107.6
643	H	29.8	Very low	30.2	Very low	150 Å²	150	138 Å²	138	69%	0.694	76%	0.756	S	S	*	*				63.8	116.2	81.7	-152.9	50.3	0	0	0	110.8
644	L	27.6	Very low	30.5	Very low	137 Å²	137	137.1 Å²	137.1	72%	0.717	76%	0.757	S	S	*	*				-169.6	177.8	65.2	-94.2	103.1	0	0	0	109.5
645	P	47.7	Very low	30.8	Very low	102 Å²	102	145 Å²	145	66%	0.662	77%	0.766	S	S	*	*			cis	-144.6	-148.7	-41.6	44.2	-24.3	0	0	0	113.6
646	E	24.3	Very low	31.1	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	77%	0.773	S	S	*	*			trans	76.6	142.1	174.8	-96.8	-168.4	95.2	0	0	116.4
647	K	26.5	Very low	30.7	Very low	138 Å²	138	142.4 Å²	142.4	60%	0.6	79%	0.786	S	S	*	*			cis	-157.6	153.6	13.3	-159	-179.2	-177.7	-63.2	0	113.8
648	D	25.5	Very low	30.2	Very low	134 Å²	134	138.2 Å²	138.2	72%	0.717	79%	0.787	S	S	*	*			trans	57.2	149.4	168	-55.4	-31.4	0	0	0	117.1
649	G	27	Very low	30.4	Very low	63 Å²	63	137.1 Å²	137.1	65%	0.649	79%	0.785	S	S	*	*			cis	122	107	11.6	0	0	0	0	0	108.5
650	H	27.3	Very low	30.6	Very low	204 Å²	204	139.6 Å²	139.6	94%	0.944	78%	0.782	S	S	*	*				-155.4	176.1	61.3	-67.4	66	0	0	0	110.2
651	G	28.1	Very low	30.9	Very low	66 Å²	66	132.8 Å²	132.8	68%	0.68	77%	0.766	S	S	*	*			trans	-151.7	-176.5	175.6	0	0	0	0	0	114.4
652	H	32.6	Very low	31.3	Very low	189 Å²	189	131.8 Å²	131.8	88%	0.875	76%	0.759	S	S	*	*			trans	-160.8	172.2	156.4	-107.7	-75.5	0	0	0	111.5
653	E	33.1	Very low	31.7	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	76%	0.762	S	S	*	*			trans	-70.5	167.4	-161	-55.5	167	85.4	0	0	117.7
654	G	32.8	Very low	31.6	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	77%	0.765	S	S	*	*			trans	171.2	121.7	157.3	0	0	0	0	0	115
655	R	34.3	Very low	31.6	Very low	260 Å²	260	134 Å²	134	98%	0.981	77%	0.768	S	S	*	*			trans	-74.5	156.5	-177.3	-78.9	179	172.7	159.4	-2.5	114.5
656	A	35.8	Very low	30.5	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	78%	0.78	S	S	*	*			trans	-72	151.2	-176.6	0	0	0	0	0	116.7
657	A	28	Very low	31	Very low	109 Å²	109	139.7 Å²	139.7	90%	0.901	78%	0.784	S	S	*	*			trans	-155.2	166.8	140	0	0	0	0	0	107.9
658	G	29.3	Very low	31.3	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	79%	0.793	S	S	*	*			trans	-123.6	136.3	-175.8	0	0	0	0	0	114.4
659	E	36.8	Very low	31.3	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	79%	0.794	S	S	*	*			trans	-136.5	149.4	157	-79.8	-169.2	115.1	0	0	106.5
660	E	35.8	Very low	32.2	Very low	134 Å²	134	139.9 Å²	139.9	63%	0.626	80%	0.798	S	S	*	*			cis	72.1	137.8	49.1	131.2	148.6	52.8	0	0	113.6	K662	E660-K662 IonicContact OE2-NZ 2.64Å; E660-K662 PolarHBondContact OE2-NZ 3.13Å
661	A	35.4	Very low	32.2	Very low	72 Å²	72	140.7 Å²	140.7	60%	0.595	79%	0.794	S	S	*	*			cis	-170.2	-167.8	-15.9	0	0	0	0	0	110.9
662	K	34.7	Very low	32.4	Very low	161 Å²	161	144.3 Å²	144.3	70%	0.7	80%	0.803	S	S	*	*			trans	72	118.9	132.6	-88.4	168.1	-168.1	155.5	0	120.7	E660	E660-K662 IonicContact OE2-NZ 2.64Å; E660-K662 PolarHBondContact OE2-NZ 3.13Å
663	Q	32.8	Very low	32.3	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	80%	0.8	S	S	*	*				138.9	137.3	117.4	-60.4	-134.2	46.8	0	0	118.8
664	L	28	Very low	32	Very low	147 Å²	147	141.8 Å²	141.8	77%	0.77	79%	0.789	S	S	*	*			trans	38.9	111	144.6	-85.9	59.3	0	0	0	123.6
665	A	26.9	Very low	32.5	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	79%	0.787	S	S	*	*				53.3	143	103.7	0	0	0	0	0	123.9
666	R	24.5	Very low	32.3	Very low	242 Å²	242	136.9 Å²	136.9	91%	0.913	78%	0.775	S	S	*	*			trans	91.5	132.9	168	-75.7	-167.6	167.2	102.7	-2.7	119
667	V	35.1	Very low	32.2	Very low	141 Å²	141	137.8 Å²	137.8	86%	0.855	77%	0.769	S	S	*	*			trans	-84.9	136.1	164.8	167.7	0	0	0	0	109.1
668	P	32.7	Very low	32.2	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	76%	0.764	S	S	*	*				-140.2	163.7	116.3	36.3	-22.3	0	0	0	115.2
669	S	27.2	Very low	32.2	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	76%	0.758	S	S	*	*			trans	-73.5	176.7	165.6	-131	0	0	0	0	110.8
670	P	46	Very low	31.9	Very low	114 Å²	114	137 Å²	137	74%	0.74	75%	0.75	S	S	*	*			cis	-151.6	172.2	27.5	45.1	-23.8	0	0	0	120.8
671	Y	25.4	Very low	31.7	Very low	221 Å²	221	142.2 Å²	142.2	87%	0.867	76%	0.764	S	S	*	*			trans	46.8	115.1	145.6	-105.1	-101.3	0	0	0	124.8
672	V	32.3	Very low	31.9	Very low	141 Å²	141	143.9 Å²	143.9	86%	0.855	77%	0.769	S	S	*	*			trans	-164.4	142.4	154.7	132.2	0	0	0	0	108
673	R	32	Very low	31.5	Very low	217 Å²	217	142.9 Å²	142.9	82%	0.819	77%	0.771	S	S	*	*			cis	-155.4	-119.3	-22.1	-156.1	-172.6	179.5	-173.7	-0.2	112.7
674	T	26.9	Very low	31.3	Very low	104 Å²	104	138.8 Å²	138.8	64%	0.638	76%	0.76	S	S	*	*			trans	-151.6	156.8	-170.8	48.7	0	0	0	0	108.8
675	P	42	Very low	31.4	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	76%	0.761	S	S	*	*			cis	-113.7	150.7	38.6	5.9	19.3	0	0	0	114.6
676	V	31	Very low	31.5	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.715	76%	0.76	S	S	*	*				72.3	103.8	68.2	173.9	0	0	0	0	111.2
677	V	32.9	Very low	31.5	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	75%	0.754	S	S	*	*				73.7	130.1	65.7	174.5	0	0	0	0	109.8
678	E	27.9	Very low	31.2	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	75%	0.751	S	S	*	*			cis	-149.3	175.7	41.8	-134.8	179.7	114.4	0	0	110.1
679	S	29	Very low	30.9	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	75%	0.747	S	S	*	*			cis	-159.2	176	11.9	-158.1	0	0	0	0	113.3
680	A	30.6	Very low	31.1	Very low	77 Å²	77	136.2 Å²	136.2	64%	0.636	75%	0.747	S	S	*	*			trans	73.4	89.8	155.5	0	0	0	0	0	123
681	R	33.3	Very low	30.6	Very low	243 Å²	243	139.2 Å²	139.2	92%	0.917	75%	0.751	S	S	*	*			trans	76.2	159.2	135.1	-66.4	177.2	-175.8	177.2	2.3	118.5
682	P	38.2	Very low	31	Very low	108 Å²	108	132.7 Å²	132.7	70%	0.701	74%	0.736	S	S	*	*			cis	-105.3	145.9	3.7	38.2	-29.7	0	0	0	115.4
683	N	25.8	Very low	31	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	73%	0.734	S	S	*	*			trans	-115.4	173.2	170.4	-172.6	16.1	0	0	0	109.2
684	S	30.3	Very low	30.9	Very low	75 Å²	75	136.1 Å²	136.1	52%	0.524	74%	0.739	S	S	.	*			trans	79.3	138.4	155.1	-55.1	0	0	0	0	117.9
685	T	30	Very low	31	Very low	127 Å²	127	135 Å²	135	78%	0.779	75%	0.749	S	S	*	*			cis	-161.1	162.7	-14.4	13.2	0	0	0	0	111.5
686	S	29.1	Very low	30.2	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	75%	0.749	S	S	*	*			trans	100	131.3	150.6	77.2	0	0	0	0	117.9
687	S	23.9	Very low	30.7	Very low	114 Å²	114	137 Å²	137	80%	0.797	75%	0.75	S	S	*	*			cis	56.1	108.9	-7.6	-170.5	0	0	0	0	118.8
688	R	29.1	Very low	30.4	Very low	207 Å²	207	134.8 Å²	134.8	78%	0.781	75%	0.745	S	S	*	*				-176.7	155.8	102.4	-169.9	156	-168	161.3	12.8	112.2
689	E	25.1	Very low	30.4	Very low	149 Å²	149	136.1 Å²	136.1	70%	0.696	74%	0.744	S	S	*	*			trans	-39	138.7	165	-51.8	142.8	86.5	0	0	114.7
690	A	32.7	Very low	30.3	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	75%	0.746	S	S	*	*			trans	-168	89.4	148.3	0	0	0	0	0	113.1
691	E	34.2	Very low	30.2	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	74%	0.742	S	S	*	*				-70.3	130	123.6	-94.9	-71.8	155.4	0	0	104.9
692	P	34.8	Very low	30.4	Very low	84 Å²	84	134 Å²	134	55%	0.545	73%	0.734	S	S	.	*				-157.3	173.5	80.1	41.1	-21.6	0	0	0	117.8
693	R	32.9	Very low	30.1	Very low	215 Å²	215	136.6 Å²	136.6	81%	0.811	73%	0.734	S	S	*	*			trans	86.2	101.1	161.7	-54.6	-171.7	178.7	100.1	1.9	114.6
694	K	28.4	Very low	30.4	Very low	215 Å²	215	138.7 Å²	138.7	94%	0.935	74%	0.737	S	S	*	*				74.3	103.7	77.7	-79.8	-154.6	171.2	-161.7	0	113.5
695	G	30	Very low	30.2	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	74%	0.743	S	S	*	*			trans	-154.7	29.5	173.1	0	0	0	0	0	113.5
696	E	24.2	Very low	30.1	Very low	167 Å²	167	138.8 Å²	138.8	78%	0.78	74%	0.742	S	S	*	*			trans	-58.7	153.4	158.7	-100.1	-94.1	141.1	0	0	109.3	A698	E696-A698 PolarHBondContact OE2-N 2.72Å
697	P	41.2	Very low	30.1	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	74%	0.739	S	S	*	*			cis	-144.6	177.4	45.9	42	-23.5	0	0	0	119.4
698	A	27.9	Very low	30.6	Very low	77 Å²	77	141.9 Å²	141.9	64%	0.636	74%	0.742	S	S	*	*			trans	91	130.2	155.7	0	0	0	0	0	117	E696	E696-A698 PolarHBondContact OE2-N 2.72Å
699	Y	27.8	Very low	31	Very low	199 Å²	199	138.1 Å²	138.1	78%	0.78	73%	0.731	S	S	*	*			cis	-153	136.5	-2.5	-162.6	-120	0	0	0	114.5
700	E	26.3	Very low	31.5	Very low	151 Å²	151	138 Å²	138	71%	0.706	74%	0.74	S	S	*	*			trans	58.6	156	152.9	-154	156.3	-142.5	0	0	123.3
701	N	28.2	Very low	31.9	Very low	102 Å²	102	139.5 Å²	139.5	55%	0.545	73%	0.73	S	S	.	*			trans	-81.2	-171.2	175.7	-124.4	-130.7	0	0	0	110.4	K703	N701-K703 WeakPolarHBondContact OD1-CD 3.34Å; N701-K703 WeakPolarHBondContact OD1-CE 3.2Å; N701-K703 PolarHBondContact OD1-NZ 3.49Å
702	P	39.2	Very low	32.3	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	71%	0.714	S	S	*	*			cis	-131.9	169.1	19.7	27.8	-3.1	0	0	0	119.4
703	K	30.8	Very low	32.8	Very low	162 Å²	162	141.1 Å²	141.1	70%	0.704	73%	0.73	S	S	*	*			trans	-26.1	164.6	155.7	-52.1	107.7	176.9	156.7	0	114.6	N701	N701-K703 WeakPolarHBondContact OD1-CD 3.34Å; N701-K703 WeakPolarHBondContact OD1-CE 3.2Å; N701-K703 PolarHBondContact OD1-NZ 3.49Å
704	K	31.8	Very low	32.9	Very low	185 Å²	185	141.1 Å²	141.1	80%	0.804	73%	0.73	S	S	*	*			cis	-173.6	167	48.9	30.7	170.9	169.9	172.5	0	111.1
705	S	27	Very low	33.5	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	72%	0.721	S	S	*	*			trans	51	111.2	155.4	49.8	0	0	0	0	118.5
706	S	26.8	Very low	33.6	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	72%	0.718	S	S	*	*				90	144.7	54.1	71.2	0	0	0	0	115.4
707	E	29.4	Very low	33.7	Very low	146 Å²	146	141.1 Å²	141.1	68%	0.682	71%	0.713	S	S	*	*			trans	78.7	140.5	168	-155.3	166.8	148.1	0	0	118	K709	E707-K709 WeakPolarHBondContact OE1-CE 3.01Å; E707-K709 IonicContact OE1-NZ 3.07Å; E707-K709 PolarHBondContact OE1-NZ 2.78Å
708	V	33.6	Very low	33.2	Very low	141 Å²	141	143.5 Å²	143.5	86%	0.855	71%	0.714	S	S	*	*			trans	-128.7	116.2	-178.4	172.5	0	0	0	0	108.9
709	K	37.5	Very low	33.2	Very low	127 Å²	127	146.7 Å²	146.7	55%	0.552	72%	0.72	S	S	*	*			trans	-142.9	121.1	168.3	-78.2	169.3	176.8	149.1	0	108.6	D15 E707	D15-K709 IonicContact OD1-NZ 3.28Å; E707-K709 WeakPolarHBondContact OE1-CE 3.01Å; E707-K709 IonicContact OE1-NZ 3.07Å; E707-K709 PolarHBondContact OE1-NZ 2.78Å
710	V	36.6	Very low	33.1	Very low	148 Å²	148	144.4 Å²	144.4	90%	0.897	72%	0.721	S	S	*	*			trans	-134.2	144.1	159.8	-179.7	0	0	0	0	107
711	K	40.6	Very low	33.5	Very low	122 Å²	122	142.7 Å²	142.7	53%	0.53	72%	0.723	S	S	.	*			trans	-115.5	161.8	-167.7	-170.1	176	-171.8	158.6	0	110.6	A16 G17	A16-K711 WeakPolarHBondContact O-CD 3.35Å; A16-K711 WeakPolarHBondContact O-CE 3.29Å; A16-K711 PolarHBondContact O-NZ 2.79Å; G17-K711 VanDerWaalsContact C-CE 3.48Å; G17-K711 WeakPolarHBondContact O-CE 3.4Å; G17-K711 PolarHBondContact O-NZ 2.99Å
712	E	42.4	Very low	34	Very low	105 Å²	105	142.9 Å²	142.9	49%	0.491	73%	0.729	S	S	.	*			trans	-53	133.8	174.1	-173	170.3	-178.3	0	0	112.6	P21	P21-E712 WeakPolarHBondContact CD-OE1 3.33Å
713	E	45.1	Very low	33.4	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	73%	0.727	S	S	*	*			trans	-104.7	148.7	177.5	-167.5	-171.1	109.7	0	0	110.9
714	R	35.1	Very low	33.3	Very low	215 Å²	215	138.4 Å²	138.4	81%	0.811	71%	0.707	S	S	*	*			trans	-123	132.1	-177.3	170.1	-179.6	163.1	150.6	-2.8	111.9
715	K	41.8	Very low	33.5	Very low	174 Å²	174	132.9 Å²	132.9	76%	0.757	69%	0.69	S	S	*	*			trans	-50.7	137.6	170.6	170.8	-174.7	174.7	179.9	0	115.6
716	E	31.2	Very low	33.8	Very low	165 Å²	165	134 Å²	134	77%	0.771	69%	0.685	S	S	*	*			trans	-152.9	-177	141.9	-149.9	80.9	-127.2	0	0	107.7
717	D	27.6	Very low	33.9	Very low	125 Å²	125	133.8 Å²	133.8	67%	0.668	68%	0.679	S	S	*	*			trans	-145	169.7	-165.9	-150.3	-51.1	0	0	0	113.4
718	H	30.3	Very low	34.1	Very low	162 Å²	162	135.3 Å²	135.3	75%	0.75	69%	0.686	S	S	*	*			trans	72.6	151.9	176.7	-54.7	-1.3	0	0	0	116
719	D	27.2	Very low	33.8	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	68%	0.681	S	S	*	*			cis	-141.1	-172.7	13.9	-147.8	-62.4	0	0	0	112.3
720	L	27.4	Very low	33.3	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	69%	0.689	S	S	*	*			trans	-96.9	-164.5	-172.2	-58	170.8	0	0	0	112.9
721	P	34.7	Very low	32.8	Very low	115 Å²	115	135 Å²	135	75%	0.747	69%	0.687	S	S	*	*			cis	-130.7	-155.7	-20.7	15.6	12.8	0	0	0	112.3
722	P	38.4	Very low	32.2	Very low	105 Å²	105	135.8 Å²	135.8	68%	0.682	69%	0.693	S	S	*	*			cis	-136.2	-172.4	-48.4	40	-22.1	0	0	0	116.1
723	E	25.9	Very low	32	Very low	150 Å²	150	134.1 Å²	134.1	70%	0.701	69%	0.691	S	S	*	*			trans	69.6	154.4	153.9	-72.3	-154	97.4	0	0	122
724	A	29.7	Very low	31.9	Very low	34 Å²	34	126.7 Å²	126.7	28%	0.281	66%	0.659	S	S	.	*			cis	179.3	161.2	-24.8	0	0	0	0	0	111.2	E985 A986	A724-E985 CarbonylContact C-O 3.55Å; A724-E985 WeakPolarHBondContact CA-O 3.01Å; A724-E985 PolarHBondContact N-O 2.97Å; A724-A986 WeakPolarHBondContact O-CB 3.13Å
725	P	35.3	Very low	32.2	Very low	68 Å²	68	120.4 Å²	120.4	44%	0.442	65%	0.646	S	S	.	*				-139.5	177.8	-57.6	42.8	-25.4	0	0	0	116	E985	P725-E985 WeakPolarHBondContact CA-OE1 3.02Å; P725-E985 WeakPolarHBondContact CB-OE1 3.47Å
726	Q	33.2	Very low	32.2	Very low	116 Å²	116	115.1 Å²	115.1	54%	0.542	63%	0.629	S	S	.	*			trans	66.1	165.2	168.6	-51.5	-172.8	-7.2	0	0	118.7	D983 E985	Q726-D983 PolarHBondContact NE2-OD1 2.82Å; Q726-E985 WeakPolarHBondContact CA-OE2 3.48Å; Q726-E985 PolarHBondContact N-OE1 2.99Å; Q726-E985 PolarHBondContact N-OE2 3.46Å
727	T	29.7	Very low	31.8	Very low	107 Å²	107	112.7 Å²	112.7	66%	0.656	62%	0.622	S	S	*	*			cis	-143.1	-173.6	19.4	59.8	0	0	0	0	110.4
728	H	32	Very low	31.7	Very low	178 Å²	178	111.4 Å²	111.4	82%	0.824	62%	0.622	S	S	*	*			cis	-154.2	-75.8	12.1	-144.2	-43.8	0	0	0	115.4
729	R	27.8	Very low	31.7	Very low	201 Å²	201	108 Å²	108	76%	0.758	62%	0.617	S	S	*	*			trans	-160.3	150.5	-163.3	-82.8	-170.6	164	110.7	-6.9	110.7
730	A	26.3	Very low	31.8	Very low	87 Å²	87	103.7 Å²	103.7	72%	0.719	60%	0.598	S	S	*	*			cis	71	133.3	46.9	0	0	0	0	0	113.7
731	S	27.6	Very low	31.8	Very low	121 Å²	121	99.6 Å²	99.6	85%	0.846	58%	0.582	S	S	*	*			cis	-135.8	157.4	20.4	-58.3	0	0	0	0	114.5
732	E	26.8	Very low	31.7	Very low	139 Å²	139	97.5 Å²	97.5	65%	0.65	57%	0.567	S	S	*	*			trans	-68.9	-178.3	169.2	-125.6	-161.9	158.7	0	0	112.2	P734 P735	E732-P734 HydrophobicContact CG-CB 4.41Å; E732-P734 VanDerWaalsContact OE1-CA 3.24Å; E732-P734 WeakPolarHBondContact OE1-CA 3.39Å; E732-P734 WeakPolarHBondContact OE1-CB 3.36Å; E732-P735 WeakPolarHBondContact OE1-CD 3.48Å
733	P	39.1	Very low	31.5	Very low	69 Å²	69	97.5 Å²	97.5	45%	0.448	56%	0.558	S	S	.	*			cis	-150.8	178.4	44.7	48	-27.7	0	0	0	118.6	P44	P44-P733 HydrophobicContact CB-CB 4.31Å; P44-P733 HydrophobicContact CB-CG 3.69Å; P44-P733 HydrophobicContact CG-CB 3.7Å; P44-P733 HydrophobicContact CG-CG 3.43Å; P44-P733 VanDerWaalsContact CG-CG 3.43Å
734	P	42.9	Very low	32.6	Very low	34 Å²	34	93.2 Å²	93.2	22%	0.221	54%	0.543	C	S	.	.				-133.9	169	-65.5	39.2	-21.5	0	0	0	113.4	P44 V45 V46 E732	P44-P734 HydrophobicContact CG-CG 4.19Å; P44-P734 WeakPolarHBondContact O-CD 3.2Å; V45-P734 CarbonylContact C-O 3.06Å; V46-P734 PolarHBondContact N-O 3.39Å; V46-P734 VanDerWaalsContact N-O 3.14Å; E732-P734 HydrophobicContact CG-CB 4.41Å; E732-P734 VanDerWaalsContact OE1-CA 3.24Å; E732-P734 WeakPolarHBondContact OE1-CA 3.39Å; E732-P734 WeakPolarHBondContact OE1-CB 3.36Å
735	P	41.3	Very low	32.7	Very low	82 Å²	82	94 Å²	94	53%	0.532	56%	0.555	S	S	.	*			trans	-80.8	156.1	169.9	34.7	-33.8	0	0	0	111.8	E732	E732-P735 WeakPolarHBondContact OE1-CD 3.48Å
736	P	40.8	Very low	33.3	Very low	63 Å²	63	95.9 Å²	95.9	41%	0.409	57%	0.567	S	S	.	*				-146.5	-179.6	99	43.9	-28.5	0	0	0	112.9	L47	L47-P736 CarbonylContact C-O 3.36Å; L47-P736 WeakPolarHBondContact CA-O 3.07Å; L47-P736 PolarHBondContact N-O 2.91Å
737	N	24	Very low	33.6	Very low	115 Å²	115	98.1 Å²	98.1	62%	0.615	58%	0.581	S	S	*	*			cis	-165.8	151.1	32.9	33.8	49.9	0	0	0	113.5
738	S	25.7	Very low	33.8	Very low	97 Å²	97	97.4 Å²	97.4	68%	0.678	59%	0.586	S	S	*	*				159.7	118.3	115.5	-74.1	0	0	0	0	118.6
739	S	28.9	Very low	33.6	Very low	92 Å²	92	93.9 Å²	93.9	64%	0.643	58%	0.582	S	S	*	*			trans	67.3	161.5	150.1	84.1	0	0	0	0	119
740	S	30.2	Very low	33.6	Very low	52 Å²	52	91.4 Å²	91.4	36%	0.364	58%	0.581	S	S	.	*			cis	-170.4	172.6	-2	32.4	0	0	0	0	109.6	A358 F359	A358-S740 VanDerWaalsContact CA-CB 3.49Å; F359-S740 WeakPolarHBondContact CE2-O 3.14Å
741	S	27	Very low	34.6	Very low	67 Å²	67	92.2 Å²	92.2	47%	0.469	58%	0.578	S	S	.	*			cis	174.5	-169.1	-14.3	178	0	0	0	0	109.9	A358	A358-S741 WeakPolarHBondContact O-CB 3.43Å; A358-S741 PolarHBondContact O-OG 3.2Å
742	V	32.9	Very low	34.9	Very low	70 Å²	70	94.6 Å²	94.6	42%	0.424	58%	0.578	S	S	.	*			trans	86.4	110.6	156.2	-59.1	0	0	0	0	126.8	G25 F359	G25-V742 CarbonylContact O-C 3.56Å; G25-V742 VanDerWaalsContact O-C 3.29Å; F359-V742 HydrophobicContact CB-CG1 3.96Å; F359-V742 HydrophobicContact CD2-CG1 4.41Å; F359-V742 HydrophobicContact CD2-CG2 3.91Å
743	H	35	Very low	35.2	Very low	105 Å²	105	94.1 Å²	94.1	49%	0.486	59%	0.585	S	S	.	*				50.1	-172.5	121.8	-65.9	-36.1	0	0	0	122.5	S24 G25 L26	S24-H743 WeakPolarHBondContact CA-O 3.22Å; G25-H743 PolarHBondContact N-O 2.83Å; G25-H743 PolarHBondContact O-N 3.47Å; L26-H743 VanDerWaalsContact N-N 3.12Å
744	P	49	Very low	35	Very low	61 Å²	61	97.7 Å²	97.7	40%	0.396	61%	0.605	S	S	.	*			cis	-83.4	-148	-17.8	40.3	-41.9	0	0	0	114.1	S24	S24-P744 WeakPolarHBondContact OG-CD 3.3Å; S24-P744 PolarHBondContact OG-O 2.8Å; S24-P744 VanDerWaalsContact OG-O 3.11Å
745	G	30.9	Very low	34.6	Very low	51 Å²	51	99.5 Å²	99.5	53%	0.526	63%	0.63	S	S	.	*			cis	96.3	155.5	-8.4	0	0	0	0	0	116.2
746	P	49.1	Very low	34.2	Very low	107 Å²	107	101.6 Å²	101.6	70%	0.695	64%	0.641	S	S	*	*			cis	-105.1	-142.2	5.4	27	-3.6	0	0	0	111.2
747	L	38.3	Very low	34	Very low	162 Å²	162	105.3 Å²	105.3	85%	0.848	66%	0.663	S	S	*	*			cis	-127.2	-155.9	7.9	-69.5	163.9	0	0	0	109.3
748	A	34	Very low	34.5	Very low	92 Å²	92	103 Å²	103	76%	0.76	67%	0.666	S	S	*	*			cis	-152.2	-162.5	2.7	0	0	0	0	0	108.1
749	S	28.7	Very low	34.7	Very low	104 Å²	104	105.8 Å²	105.8	73%	0.727	67%	0.672	S	S	*	*			cis	-158.2	-178.8	0.6	-161	0	0	0	0	110
750	M	27.1	Very low	34.9	Very low	150 Å²	150	109.6 Å²	109.6	74%	0.739	68%	0.679	S	S	*	*			trans	-142.3	164.2	-167.5	-73.5	-64.4	139.1	0	0	115.2
751	P	46.6	Very low	35.7	Very low	103 Å²	103	112.7 Å²	112.7	67%	0.669	70%	0.698	S	S	*	*			cis	-137.3	-169.2	-15.6	32.8	-10.2	0	0	0	116
752	M	34.3	Very low	35.7	Very low	171 Å²	171	117.4 Å²	117.4	84%	0.842	72%	0.715	S	S	*	*			trans	82.5	165.3	168.5	-54.2	-172.2	175.2	0	0	116.6
753	T	33.7	Very low	35.7	Very low	130 Å²	130	120.2 Å²	120.2	80%	0.798	73%	0.727	S	S	*	*			cis	-149.4	-162.4	17.6	-29.2	0	0	0	0	112.4
754	V	33.9	Very low	35.5	Very low	144 Å²	144	117 Å²	117	87%	0.873	72%	0.716	S	S	*	*			trans	-139.4	156.6	-177	-85.5	0	0	0	0	113.5
755	G	34.3	Very low	35	Very low	72 Å²	72	118.9 Å²	118.9	74%	0.742	72%	0.722	S	S	*	*			trans	-174	148.1	171.6	0	0	0	0	0	112.7
756	V	34.7	Very low	34.9	Very low	126 Å²	126	120 Å²	120	76%	0.764	72%	0.722	S	S	*	*			trans	-154.2	142.3	-164.5	-169.8	0	0	0	0	114.6
757	T	35.3	Very low	34.1	Very low	140 Å²	140	119.5 Å²	119.5	86%	0.859	72%	0.721	S	S	*	*			trans	63.8	155.9	163.7	43.1	0	0	0	0	119.9
758	G	34	Very low	34.2	Very low	67 Å²	67	119 Å²	119	69%	0.691	72%	0.718	S	S	*	*			cis	-127.1	-132	0.9	0	0	0	0	0	113.3
759	I	31.1	Very low	34.4	Very low	155 Å²	155	120.9 Å²	120.9	80%	0.795	72%	0.716	S	S	*	*			cis	-151.5	-157.3	0.7	57.9	166.4	0	0	0	111.1
760	H	32.9	Very low	34.6	Very low	173 Å²	173	126.3 Å²	126.3	80%	0.801	72%	0.721	S	S	*	*			trans	-142.2	-175.4	-175.9	-48.2	-69.2	0	0	0	110.9
761	P	45.9	Very low	35	Very low	117 Å²	117	123.9 Å²	123.9	76%	0.76	71%	0.714	S	S	*	*			cis	-143.5	-175.8	3.3	36.2	-12.5	0	0	0	118.6
762	M	28.4	Very low	34.6	Very low	166 Å²	166	125.3 Å²	125.3	82%	0.818	71%	0.706	S	S	*	*			trans	99.2	139.2	154.6	-59.8	-156.4	71	0	0	122.9
763	N	32.1	Very low	34.3	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	70%	0.703	S	S	*	*			trans	-58.3	150.9	178.8	-75.5	-29.1	0	0	0	115.7
764	S	30.4	Very low	34.5	Very low	37 Å²	37	126.2 Å²	126.2	26%	0.259	70%	0.703	S	S	.	*			cis	-173.2	-88.8	-2.7	52.1	0	0	0	0	117.5	P412 L415	P412-S764 CarbonylContact C-O 3.44Å; P412-S764 WeakPolarHBondContact CA-O 3.01Å; P412-S764 WeakPolarHBondContact CB-O 3.04Å; P412-S764 CarbonylContact O-C 3.31Å; P412-S764 VanDerWaalsContact O-C 3.3Å; P412-S764 PolarHBondContact O-N 2.79Å; L415-S764 WeakPolarHBondContact CB-OG 3.25Å
765	I	38.5	Very low	34.8	Very low	101 Å²	101	124.3 Å²	124.3	52%	0.518	69%	0.692	S	S	.	*			trans	-140.3	-159.9	-168.3	49.8	169	0	0	0	110.8	F414 L415	F414-I765 CarbonylContact C-O 3.36Å; F414-I765 WeakPolarHBondContact CA-O 3.41Å; F414-I765 WeakPolarHBondContact CB-O 3.48Å; F414-I765 PolarHBondContact N-O 3.44Å; L415-I765 HydrophobicContact CB-CG1 4.32Å; L415-I765 HydrophobicContact CD1-CD1 4.21Å; L415-I765 HydrophobicContact CD1-CG1 3.97Å; L415-I765 PolarHBondContact N-O 2.88Å
766	S	30	Very low	34.8	Very low	74 Å²	74	124.6 Å²	124.6	52%	0.517	68%	0.681	S	S	.	*			cis	-163.7	-170.8	7.2	-156.6	0	0	0	0	113.3
767	S	31.2	Very low	34.7	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	67%	0.674	S	S	*	*			trans	-9.2	145.9	165	62.9	0	0	0	0	121.9
768	L	40.8	Very low	34.4	Very low	151 Å²	151	127.7 Å²	127.7	79%	0.791	68%	0.677	S	S	*	*			cis	-125.7	144.4	21.1	-93.4	84	0	0	0	111.6
769	D	37.5	Very low	34.2	Very low	133 Å²	133	127.5 Å²	127.5	71%	0.711	68%	0.676	S	S	*	*				67.3	107.5	69.5	-173.3	25.8	0	0	0	116.6
770	R	34	Very low	34.2	Very low	218 Å²	218	128.2 Å²	128.2	82%	0.823	68%	0.68	S	S	*	*			trans	-167.2	141.1	131.8	-113.3	178.3	-177.3	136	6.2	116.5
771	T	35.7	Very low	33.8	Very low	99 Å²	99	125.3 Å²	125.3	61%	0.607	68%	0.679	S	S	*	*			trans	58.2	139.6	146.6	-29.7	0	0	0	0	120.3	S548	S548-T771 WeakPolarHBondContact CB-O 3.45Å; S548-T771 PolarHBondContact OG-O 2.85Å
772	R	36.8	Very low	33.1	Very low	133 Å²	133	124.9 Å²	124.9	50%	0.502	68%	0.676	S	S	.	*			trans	-68.5	158.3	165.4	-42.5	-157.8	-165.3	-133.2	14.6	108.3	A547 S548 A549	A547-R772 WeakPolarHBondContact O-CB 2.96Å; A547-R772 WeakPolarHBondContact O-CG 3.41Å; S548-R772 VanDerWaalsContact O-CD 3.29Å; S548-R772 WeakPolarHBondContact O-CD 3.44Å; S548-R772 WeakPolarHBondContact O-CG 3.02Å; S548-R772 PolarHBondContact O-NE 2.82Å; S548-R772 PolarHBondContact O-NH1 3.16Å; A549-R772 VanDerWaalsContact C-CZ 3.41Å; A549-R772 VanDerWaalsContact C-NH2 3.3Å; A549-R772 WeakPolarHBondContact O-CG 3.3Å; A549-R772 PolarHBondContact O-NE 3.49Å
773	M	28.2	Very low	33.7	Very low	158 Å²	158	124.1 Å²	124.1	78%	0.778	67%	0.674	S	S	*	*			cis	-153.1	-159.1	37.2	-66	173.3	-96	0	0	109.4	A547	A547-M773 WeakPolarHBondContact CB-O 3.48Å
774	M	38.5	Very low	34.2	Very low	162 Å²	162	123.9 Å²	123.9	80%	0.798	68%	0.68	S	S	*	*			trans	75.4	102.2	169.8	-142.1	105.5	82.9	0	0	116.3	S546	S546-M774 WeakPolarHBondContact CB-O 3.3Å
775	T	40.5	Very low	34.3	Very low	103 Å²	103	125.7 Å²	125.7	63%	0.632	70%	0.704	S	S	*	*			trans	-67.7	153.4	151.6	28.1	0	0	0	0	110.2	S546	S546-T775 WeakPolarHBondContact O-CG2 3.35Å; S546-T775 PolarHBondContact O-N 3.18Å
776	P	35.2	Very low	34.2	Very low	79 Å²	79	123.8 Å²	123.8	51%	0.513	71%	0.71	S	S	.	*			trans	-136.1	94.7	143.9	35	-19.9	0	0	0	111.7
777	F	31.4	Very low	35.1	Very low	141 Å²	141	127.3 Å²	127.3	62%	0.618	72%	0.718	S	S	*	*	S	Bend	trans	-117.7	152.1	140.1	-127.6	-81.4	0	0	0	108.8	L543 E544	L543-F777 HydrophobicContact CG-CE2 4.49Å; E544-F777 HydrophobicContact CB-CD2 4.02Å; E544-F777 HydrophobicContact CB-CE2 4.14Å
778	M	29.6	Very low	35.4	Very low	189 Å²	189	133 Å²	133	93%	0.931	73%	0.725	S	S	*	*	S	Bend	trans	74.4	57.6	-163.6	-52.8	-161.7	70.7	0	0	114.4
779	G	28.7	Very low	35	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	72%	0.72	S	S	*	*			trans	-127.7	7.8	174.1	0	0	0	0	0	115.5	S781	G779-S781 PolarHBondContact O-N 3.18Å
780	I	31.4	Very low	35.2	Very low	170 Å²	170	131.5 Å²	131.5	87%	0.872	72%	0.715	S	S	*	*			trans	-76.2	54.7	171.4	56.6	162.4	0	0	0	112.1
781	S	25.1	Very low	35.2	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	71%	0.706	S	S	*	*			trans	-59	142.9	150.5	-74.6	0	0	0	0	108.3	G779	G779-S781 PolarHBondContact O-N 3.18Å
782	P	30.4	Very low	35.2	Very low	108 Å²	108	128.4 Å²	128.4	70%	0.701	71%	0.705	S	S	*	*				-92	170.8	-124.5	32.9	-39.2	0	0	0	114.5	P784	P782-P784 WeakPolarHBondContact O-CD 3.29Å
783	L	42.4	Very low	34.8	Very low	149 Å²	149	125.8 Å²	125.8	78%	0.78	71%	0.708	S	S	*	*			trans	-41.4	135.9	149	-63.9	165.7	0	0	0	109.9
784	P	41.6	Very low	35.1	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	71%	0.714	S	S	*	*				-130.3	152.1	108.6	36.1	-29.5	0	0	0	112.6	P782	P782-P784 WeakPolarHBondContact O-CD 3.29Å
785	G	32.8	Very low	35.1	Very low	74 Å²	74	127.7 Å²	127.7	76%	0.763	71%	0.709	S	S	*	*	S	Bend	trans	90.1	69.5	-163.6	0	0	0	0	0	110.7
786	G	36.3	Very low	34.8	Very low	62 Å²	62	134 Å²	134	64%	0.639	72%	0.722	S	S	*	*			cis	116.8	155.8	19.6	0	0	0	0	0	109.9
787	E	48.3	Very low	34.9	Very low	148 Å²	148	135.5 Å²	135.5	69%	0.692	73%	0.725	S	S	*	*			cis	-141	166.1	6.2	-50.6	-176.9	164.7	0	0	111.1
788	R	37.4	Very low	35.7	Very low	217 Å²	217	134.3 Å²	134.3	82%	0.819	73%	0.732	S	S	*	*			trans	66	99.4	160.3	-57.7	165.8	-149.2	-144.2	2.3	117.9
789	F	33	Very low	36.6	Very low	156 Å²	156	131.5 Å²	131.5	68%	0.684	72%	0.719	S	S	*	*			trans	-64.7	155.9	138.4	-86.3	-58	0	0	0	109.8	Y791	F789-Y791 AromaticContact CD1-CD2 3.73Å; F789-Y791 HydrophobicContact CD1-CD2 3.73Å; F789-Y791 HydrophobicContact CD1-CE2 4.08Å; F789-Y791 HydrophobicContact CD1-CG 4.37Å; F789-Y791 AromaticContact CE1-CD2 3.38Å; F789-Y791 HydrophobicContact CE1-CD2 3.38Å; F789-Y791 AromaticContact CE1-CE2 3.23Å; F789-Y791 HydrophobicContact CE1-CE2 3.23Å; F789-Y791 HydrophobicContact CE1-CG 4.18Å; F789-Y791 AromaticContact CE1-CZ 3.94Å; F789-Y791 HydrophobicContact CZ-CD2 4.05Å; F789-Y791 AromaticContact CZ-CE2 3.56Å; F789-Y791 HydrophobicContact CZ-CE2 3.56Å
790	P	42.1	Very low	37.2	Very low	95 Å²	95	139.2 Å²	139.2	62%	0.617	73%	0.728	S	S	*	*				-113.1	154.9	58.7	-5.5	28.2	0	0	0	116.9	T305	T305-P790 VanDerWaalsContact O-CG 3.22Å; T305-P790 WeakPolarHBondContact O-CG 3.29Å
791	Y	32.7	Very low	37.5	Very low	161 Å²	161	138.1 Å²	138.1	63%	0.631	73%	0.725	S	S	*	*			trans	-71.3	163.3	162.7	-95.8	-74.5	0	0	0	111.9	F789	F789-Y791 AromaticContact CD1-CD2 3.73Å; F789-Y791 HydrophobicContact CD1-CD2 3.73Å; F789-Y791 HydrophobicContact CD1-CE2 4.08Å; F789-Y791 HydrophobicContact CD1-CG 4.37Å; F789-Y791 AromaticContact CE1-CD2 3.38Å; F789-Y791 HydrophobicContact CE1-CD2 3.38Å; F789-Y791 AromaticContact CE1-CE2 3.23Å; F789-Y791 HydrophobicContact CE1-CE2 3.23Å; F789-Y791 HydrophobicContact CE1-CG 4.18Å; F789-Y791 AromaticContact CE1-CZ 3.94Å; F789-Y791 HydrophobicContact CZ-CD2 4.05Å; F789-Y791 AromaticContact CZ-CE2 3.56Å; F789-Y791 HydrophobicContact CZ-CE2 3.56Å
792	P	36.3	Very low	39	Very low	91 Å²	91	138.1 Å²	138.1	59%	0.591	72%	0.722	S	S	*	*				-118.5	150.1	108.2	34.7	-35.2	0	0	0	113.3	M308	M308-P792 HydrophobicContact CE-CB 3.59Å; M308-P792 HydrophobicContact CE-CG 4.14Å; M308-P792 HydrophobicContact SD-CB 3.93Å
793	S	27.8	Very low	40	Very low	79 Å²	79	140.1 Å²	140.1	55%	0.552	73%	0.726	S	S	*	*			trans	-106	125.1	-162.5	-43.6	0	0	0	0	113.7	H795	S793-H795 PolarHBondContact O-ND1 3.1Å; S793-H795 VanDerWaalsContact O-ND1 3.12Å
794	F	35	Very low	40	Very low	210 Å²	210	144.4 Å²	144.4	92%	0.921	73%	0.731	S	S	*	*			trans	-95	142	157.1	-89.2	-83	0	0	0	111
795	H	38.8	Very low	40	Very low	149 Å²	149	145.4 Å²	145.4	69%	0.69	73%	0.73	S	S	*	*			trans	-146.9	144.1	-155.4	49.1	-88.4	0	0	0	109.4	S793	S793-H795 PolarHBondContact O-ND1 3.1Å; S793-H795 VanDerWaalsContact O-ND1 3.12Å
796	W	34.8	Very low	40.6	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.894	72%	0.722	S	S	*	*			trans	-139.1	82.2	162	63.1	-88.3	0	0	0	109.3
797	D	36.4	Very low	40.8	Very low	110 Å²	110	154 Å²	154	59%	0.588	73%	0.734	S	S	*	*			trans	-97.9	115.5	163.1	179.8	11.6	0	0	0	107.2	I799	D797-I799 PolarHBondContact O-N 2.7Å
798	P	49.7	Very low	40.6	Very low	117 Å²	117	157.3 Å²	157.3	76%	0.76	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	15.8	-168.6	-25.8	35.9	0	0	0	118.1
799	I	47.6	Very low	40.8	Very low	129 Å²	129	157 Å²	157	66%	0.662	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-6.9	-162.9	-63	-177.6	0	0	0	113.8	D797	D797-I799 PolarHBondContact O-N 2.7Å
800	R	40.8	Very low	41.2	Very low	226 Å²	226	155.8 Å²	155.8	85%	0.853	75%	0.747	S	S	*	*	S	Bend	trans	-137.3	45.1	-174.4	-66	-169.1	-177	-100	-0.9	118.5
801	D	38.8	Very low	40.9	Very low	148 Å²	148	157.7 Å²	157.7	79%	0.791	75%	0.753	S	S	*	*	S	Bend		-149.8	118	129	-158.1	-4.2	0	0	0	109.9	L803	D801-L803 PolarHBondContact O-N 2.9Å
802	P	56	Low	41	Very low	111 Å²	111	155.6 Å²	155.6	72%	0.721	75%	0.751	S	S	*	*			trans	-94.2	23.7	-148.2	-10.8	31.7	0	0	0	117.9
803	L	50.7	Low	41.2	Very low	150 Å²	150	157.4 Å²	157.4	79%	0.785	75%	0.751	S	S	*	*			trans	-138.1	119.2	-165	-64.6	171.5	0	0	0	115.7	D801	D801-L803 PolarHBondContact O-N 2.9Å
804	R	43.1	Very low	41.4	Very low	239 Å²	239	162.6 Å²	162.6	90%	0.902	76%	0.759	S	S	*	*			trans	74.2	104.1	172	-59.5	175.4	170.6	-88.5	1.4	115.7
805	D	41.4	Very low	41.3	Very low	146 Å²	146	163.8 Å²	163.8	78%	0.781	76%	0.757	S	S	*	*			cis	72.2	138.2	15.2	-156.4	62.3	0	0	0	115.5
806	P	45.7	Very low	41.1	Very low	91 Å²	91	163.4 Å²	163.4	59%	0.591	76%	0.76	S	S	*	*			cis	-130.2	168.1	-23.9	29.1	-10.3	0	0	0	115.6
807	Y	41.1	Very low	41.7	Very low	225 Å²	225	157 Å²	157	88%	0.882	75%	0.749	S	S	*	*			trans	50.3	115.1	156.3	-90.8	-114.1	0	0	0	119.7
808	R	42.9	Very low	41.7	Very low	218 Å²	218	158.8 Å²	158.8	82%	0.823	76%	0.758	S	S	*	*			trans	163.8	69.2	137.4	-89.6	-84.4	-178.4	145.6	5.8	114.5	L810	R808-L810 PolarHBondContact O-N 2.83Å
809	E	41.4	Very low	41	Very low	209 Å²	209	156.5 Å²	156.5	98%	0.977	76%	0.755	S	S	*	*			trans	-102.1	58.2	166.5	-148.1	166	-121.8	0	0	110.5
810	L	41.4	Very low	40.4	Very low	131 Å²	131	160.7 Å²	160.7	69%	0.686	76%	0.763	S	S	*	*			trans	-109.2	136.1	-173.2	-100.2	171	0	0	0	111.9	R808	R808-L810 PolarHBondContact O-N 2.83Å
811	D	35.5	Very low	40.1	Very low	136 Å²	136	156.5 Å²	156.5	73%	0.727	76%	0.757	S	S	*	*			trans	82.2	160.9	148.9	-156.6	13.6	0	0	0	118.7
812	I	35.3	Very low	39.9	Very low	116 Å²	116	158.1 Å²	158.1	60%	0.595	76%	0.758	S	S	*	*			trans	51.4	102.1	163.4	38.8	173.2	0	0	0	120.7
813	H	40.6	Very low	39.1	Very low	129 Å²	129	160.1 Å²	160.1	60%	0.597	76%	0.762	S	S	*	*				172.1	132.7	88.8	-91	-33.7	0	0	0	118.3
814	R	32.8	Very low	38.5	Very low	189 Å²	189	159.6 Å²	159.6	71%	0.713	76%	0.759	S	S	*	*			trans	57.7	114.6	133.5	-59.6	-178.1	-122	-171.5	0.2	123.5
815	R	33	Very low	38	Very low	235 Å²	235	158.2 Å²	158.2	89%	0.887	75%	0.754	S	S	*	*				69.3	127.3	126.9	-65.5	-168	-170.3	174.1	2.7	123
816	D	34.1	Very low	37.5	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	75%	0.749	S	S	*	*			trans	-73.1	157.4	146.7	173.8	49.5	0	0	0	111.4
817	P	47.2	Very low	36.9	Very low	100 Å²	100	160.2 Å²	160.2	65%	0.649	76%	0.759	S	S	*	*				-160.7	163.3	102.3	44.2	-24	0	0	0	120.3
818	L	36	Very low	37.6	Very low	148 Å²	148	154 Å²	154	78%	0.775	75%	0.747	S	S	*	*			trans	93.3	98.7	149.4	-51.8	-171.9	0	0	0	123.1
819	G	35.1	Very low	37.2	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	75%	0.745	S	S	*	*				108.9	161.9	94.2	0	0	0	0	0	121.9
820	R	35	Very low	37.3	Very low	217 Å²	217	147.2 Å²	147.2	82%	0.819	73%	0.728	S	S	*	*			trans	85	146.3	165.1	-49.2	171.2	-173.8	102.3	-3.3	117.6
821	D	35.8	Very low	37.3	Very low	138 Å²	138	150.6 Å²	150.6	74%	0.738	73%	0.732	S	S	*	*			cis	-162	176.9	-21.2	-100.1	-34.6	0	0	0	112.6
822	F	34.4	Very low	37.7	Very low	183 Å²	183	151.6 Å²	151.6	80%	0.803	74%	0.736	S	S	*	*			trans	-62.1	176.8	-167.4	-76.3	-105.8	0	0	0	121.4
823	L	39	Very low	37.6	Very low	153 Å²	153	151 Å²	151	80%	0.801	74%	0.742	S	S	*	*			trans	99.4	159.9	153.5	-54.2	178.4	0	0	0	118.8
824	L	37.5	Very low	37.5	Very low	139 Å²	139	151.6 Å²	151.6	73%	0.728	76%	0.755	S	S	*	*				-168.1	138.6	-53	-143.3	82.9	0	0	0	112.3
825	R	33.8	Very low	38.6	Very low	209 Å²	209	148.2 Å²	148.2	79%	0.789	76%	0.758	S	S	*	*			trans	73.7	123.7	140	-157.6	171.8	-171.1	171.2	5.3	124.9
826	N	30.5	Very low	39.2	Very low	130 Å²	130	145 Å²	145	70%	0.695	75%	0.746	S	S	*	*			trans	78	118.4	141.8	-77.1	26.9	0	0	0	127.4
827	D	32.8	Very low	39.7	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	74%	0.74	S	S	*	*				80.9	175.2	119.3	-121.9	27.6	0	0	0	122.7
828	P	54.7	Low	39.5	Very low	96 Å²	96	147.5 Å²	147.5	62%	0.623	74%	0.741	S	S	*	*				-140.3	-172.9	-114.4	43.9	-22.5	0	0	0	120.2
829	L	36.3	Very low	40	Very low	150 Å²	150	143.7 Å²	143.7	79%	0.785	72%	0.72	S	S	*	*			trans	103.9	132	151.6	-72.5	165.7	0	0	0	124.5
830	H	42.9	Very low	40.5	Very low	133 Å²	133	143.2 Å²	143.2	62%	0.616	71%	0.709	S	S	*	*				116	118.2	127.2	-111.7	-56.3	0	0	0	124.3
831	R	41.6	Very low	41.1	Very low	203 Å²	203	135 Å²	135	77%	0.766	68%	0.681	S	S	*	*			trans	88.9	159.9	158.7	-54.6	171.7	-166	89.8	3.2	117.3
832	L	43.8	Very low	41.2	Very low	156 Å²	156	137.6 Å²	137.6	82%	0.817	68%	0.681	S	S	*	*			cis	-171.4	175.7	-21	-97.5	172.3	0	0	0	107.4
833	S	33.8	Very low	41.6	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	67%	0.666	S	S	*	*			cis	-162.6	-178.1	-6.7	47.9	0	0	0	0	110.5
834	T	37.4	Very low	41.7	Very low	142 Å²	142	131.7 Å²	131.7	87%	0.871	66%	0.657	S	S	*	*			trans	-147.2	170.7	-171.7	46.4	0	0	0	0	117.3
835	P	55.4	Low	42	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	66%	0.661	S	S	*	*			trans	-117.5	-125.6	-163.9	44	-32.5	0	0	0	119.9
836	R	47.2	Very low	42.3	Very low	166 Å²	166	129.5 Å²	129.5	63%	0.626	65%	0.646	S	S	*	*			trans	-158.5	177.3	-158.2	-65.5	-62.4	172	94.2	-9.2	109.3	L439 F440	L439-R836 PolarHBondContact O-NH2 3.19Å; F440-R836 PolarHBondContact O-NH1 2.79Å; F440-R836 PolarHBondContact O-NH2 3.42Å; F440-R836 VanDerWaalsContact O-NH2 3.1Å
837	L	43.1	Very low	42.8	Very low	123 Å²	123	133.3 Å²	133.3	64%	0.644	65%	0.651	S	S	*	*			cis	-179.9	174	-16.7	-92.1	171	0	0	0	105.5	F424	F424-L837 VanDerWaalsContact CE2-O 3.26Å; F424-L837 WeakPolarHBondContact CE2-O 3.49Å; F424-L837 VanDerWaalsContact CZ-C 3.44Å; F424-L837 WeakPolarHBondContact CZ-O 3.26Å
838	Y	43.6	Very low	42.7	Very low	171 Å²	171	133.7 Å²	133.7	67%	0.671	65%	0.648	S	S	*	*			cis	174.8	147.6	-12.6	163.8	-83.6	0	0	0	107.1	F424	F424-Y838 VanDerWaalsContact CD1-C 3.48Å
839	E	47.4	Very low	42.2	Very low	68 Å²	68	133 Å²	133	32%	0.318	64%	0.643	S	S	.	*			cis	-170.2	-165	-13.7	-123.1	63.4	-87.2	0	0	107.9	F424 I427	F424-E839 VanDerWaalsContact CD1-N 3.33Å; I427-E839 HydrophobicContact CD1-CG 3.42Å; I427-E839 VanDerWaalsContact CD1-CG 3.42Å; I427-E839 HydrophobicContact CG1-CG 3.96Å
840	A	45.3	Very low	42.6	Very low	59 Å²	59	133.7 Å²	133.7	49%	0.488	64%	0.642	S	S	.	*			cis	-167.7	173.1	-10.7	0	0	0	0	0	111
841	D	47.2	Very low	42.2	Very low	45 Å²	45	133.6 Å²	133.6	24%	0.241	65%	0.646	C	S	.	*			trans	-153.4	-159.4	-160.1	66.5	-32.2	0	0	0	118.5	A426 I427 H428	A426-D841 HydrophobicContact CB-CB 3.73Å; A426-D841 WeakPolarHBondContact CB-OD2 3.1Å; I427-D841 VanDerWaalsContact C-OD1 3.29Å; I427-D841 PolarHBondContact N-OD1 2.79Å; I427-D841 PolarHBondContact N-OD2 2.77Å; H428-D841 WeakPolarHBondContact CA-OD1 3.35Å; H428-D841 WeakPolarHBondContact CB-OD1 3.41Å; H428-D841 WeakPolarHBondContact CB-OD2 3.42Å; H428-D841 PolarHBondContact N-OD1 3.25Å; H428-D841 PolarHBondContact N-OD2 3.32Å; H428-D841 PolarHBondContact ND1-O 2.78Å
842	R	38.5	Very low	41.9	Very low	193 Å²	193	133.2 Å²	133.2	73%	0.728	65%	0.646	S	S	*	*			trans	-154.2	155.6	-178	-142.8	104	-46.2	-163.7	4.9	115.8	H428	H428-R842 PolarHBondContact CE1-NE 3.46Å
843	S	41.9	Very low	41.3	Very low	71 Å²	71	130.3 Å²	130.3	50%	0.497	64%	0.639	S	S	.	*			trans	-163	-159.9	176.6	69.7	0	0	0	0	117	H428	H428-S843 PolarHBondContact CD2-N 2.84Å; H428-S843 PolarHBondContact CD2-OG 2.95Å
844	F	40.6	Very low	41.4	Very low	140 Å²	140	133.7 Å²	133.7	61%	0.614	64%	0.643	S	S	*	*			trans	83.4	161.9	176.7	-44.3	-57.2	0	0	0	117.5	H428	H428-F844 AromaticContact CD2-CE2 3.41Å; H428-F844 VanDerWaalsContact CD2-CE2 3.41Å; H428-F844 WeakPolarHBondContact CD2-CE2 3.39Å; H428-F844 AromaticContact CD2-CZ 3.93Å; H428-F844 AromaticContact NE2-CE2 3.76Å
845	R	44.5	Very low	41.2	Very low	214 Å²	214	135.7 Å²	135.7	81%	0.808	64%	0.642	S	S	*	*			cis	-174.1	174.4	-9.5	-109.8	-76.3	173.2	178.1	-2.9	108.3
846	D	40.3	Very low	40.3	Very low	89 Å²	89	136.7 Å²	136.7	48%	0.476	64%	0.636	S	S	.	*			cis	-166	168.1	1.4	-169	-135	0	0	0	113.5
847	R	39.8	Very low	39.7	Very low	209 Å²	209	135.2 Å²	135.2	79%	0.789	64%	0.636	S	S	*	*			trans	101.5	145.5	142	-130.4	157.8	-167.2	78.7	3.7	125.2
848	E	30.8	Very low	39.3	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	63%	0.629	S	S	*	*			trans	-151.3	-161.7	-172.5	-141.4	-143.8	119.9	0	0	110.1
849	P	45	Very low	38.9	Very low	80 Å²	80	132.1 Å²	132.1	52%	0.519	62%	0.624	S	S	.	*			cis	-146.3	-164.2	-1.4	44.5	-21.5	0	0	0	119.6
850	H	43.5	Very low	38.3	Very low	166 Å²	166	134.6 Å²	134.6	77%	0.769	64%	0.635	S	S	*	*			trans	84.9	158.1	158.9	-57.1	-20	0	0	0	121
851	D	36	Very low	37.4	Very low	130 Å²	130	138.9 Å²	138.9	70%	0.695	65%	0.645	S	S	*	*			cis	-169.3	172.1	34.6	-146.6	-15.1	0	0	0	118.6
852	Y	35.3	Very low	37.3	Very low	195 Å²	195	140.1 Å²	140.1	77%	0.765	66%	0.655	S	S	*	*			trans	75.4	129.3	154.1	-86.3	-67.4	0	0	0	131.4
853	S	31.1	Very low	37.4	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	66%	0.661	S	S	*	*			trans	32.7	147.3	147.7	-76.5	0	0	0	0	126.3
854	H	36.3	Very low	37.4	Very low	176 Å²	176	140 Å²	140	82%	0.815	67%	0.671	S	S	*	*			cis	94.9	125.5	27	-100.3	-32.1	0	0	0	118.4
855	H	33.4	Very low	37.9	Very low	184 Å²	184	138.4 Å²	138.4	85%	0.852	67%	0.672	S	S	*	*			trans	-168.3	175.4	143.4	-109	63	0	0	0	114.3
856	H	34.7	Very low	37.7	Very low	139 Å²	139	133.8 Å²	133.8	64%	0.644	66%	0.663	S	S	*	*			trans	-80.5	172.7	-166.2	-72	3.6	0	0	0	116.4
857	H	36.2	Very low	38.4	Very low	135 Å²	135	133.9 Å²	133.9	63%	0.625	67%	0.669	S	S	*	*			cis	113.4	147.3	3.2	-138	83.5	0	0	0	115.9
858	H	34.6	Very low	39	Very low	105 Å²	105	133.5 Å²	133.5	49%	0.486	67%	0.668	S	S	.	*			trans	74.6	152.7	-177.1	-53	-69.9	0	0	0	116.2	D568	D568-H858 WeakPolarHBondContact CA-O 3.26Å
859	H	35	Very low	40.1	Very low	123 Å²	123	133.7 Å²	133.7	57%	0.569	66%	0.662	S	S	*	*			cis	-173.4	163.3	-16.1	-107.1	-7.5	0	0	0	109.4
860	H	33.3	Very low	40.6	Very low	120 Å²	120	136.6 Å²	136.6	56%	0.556	67%	0.668	S	S	*	*			cis	-155.4	176.5	2.1	-173.2	-134	0	0	0	110.3	E571 P862	E571-H860 HydrophobicContact CG-CB 4.07Å; E571-H860 IonicContact OE1-CE1 3.26Å; E571-H860 PolarHBondContact OE1-CE1 2.78Å; E571-H860 VanDerWaalsContact OE1-CE1 3.26Å; E571-H860 IonicContact OE1-ND1 3.94Å; H860-P862 WeakPolarHBondContact NE2-CB 3Å; H860-P862 VanDerWaalsContact NE2-CD 3.31Å; H860-P862 WeakPolarHBondContact NE2-CD 3.28Å; H860-P862 VanDerWaalsContact NE2-CG 3.27Å; H860-P862 WeakPolarHBondContact NE2-CG 3.17Å
861	H	26.8	Very low	41.2	Very low	149 Å²	149	136.6 Å²	136.6	69%	0.69	67%	0.668	S	S	*	*			trans	-172	134.3	132	-155.5	-88.9	0	0	0	109.1	E571	E571-H861 IonicContact OE1-CD2 2.8Å
862	P	46.2	Very low	42.2	Very low	72 Å²	72	136 Å²	136	47%	0.468	66%	0.661	S	S	.	*			trans	-87.5	138	-169.6	31.7	-32.8	0	0	0	114.4	H860	H860-P862 WeakPolarHBondContact NE2-CB 3Å; H860-P862 VanDerWaalsContact NE2-CD 3.31Å; H860-P862 WeakPolarHBondContact NE2-CD 3.28Å; H860-P862 VanDerWaalsContact NE2-CG 3.27Å; H860-P862 WeakPolarHBondContact NE2-CG 3.17Å
863	L	40.4	Very low	43.2	Very low	160 Å²	160	135.7 Å²	135.7	84%	0.838	66%	0.659	S	S	*	*			trans	-136.2	138.3	159.8	-71.6	177.2	0	0	0	109.6
864	S	41.5	Very low	44.5	Very low	102 Å²	102	133 Å²	133	71%	0.713	65%	0.645	S	S	*	*			trans	-34.3	125.4	-171.5	175.5	0	0	0	0	116.5
865	V	50.7	Low	46.1	Very low	105 Å²	105	126.8 Å²	126.8	64%	0.636	63%	0.629	S	S	*	*			trans	-138.7	74.7	171	-67.7	0	0	0	0	110.8
866	D	39.9	Very low	47.7	Very low	117 Å²	117	124.2 Å²	124.2	63%	0.626	62%	0.617	S	S	*	*			trans	-58.3	153	-172.6	-95.4	-62	0	0	0	115.6	R868 R869	D866-R868 PolarHBondContact O-N 3.42Å; D866-R869 PolarHBondContact O-N 3.44Å
867	P	54.9	Low	49.3	Very low	92 Å²	92	122.8 Å²	122.8	60%	0.597	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-10	-169.4	-28.2	36.2	0	0	0	117.6	R869 E870	P867-R869 PolarHBondContact O-N 2.9Å; P867-R869 VanDerWaalsContact O-N 3.13Å; P867-E870 PolarHBondContact O-N 3.48Å
868	R	52.4	Low	51.1	Low	201 Å²	201	121.7 Å²	121.7	76%	0.758	61%	0.612	S	S	*	*	H	α-helix	trans	-52.2	-34.9	173.6	-167.6	179.2	-173	104.6	6.4	112.1	D866 E870	D866-R868 PolarHBondContact O-N 3.42Å; R868-E870 VanDerWaalsContact C-N 3.29Å; R868-E870 PolarHBondContact O-N 3.11Å
869	R	55.7	Low	53.1	Low	161 Å²	161	122.4 Å²	122.4	61%	0.608	62%	0.616	S	S	*	*	H	α-helix	trans	-72.5	-15.3	179.6	-170.9	170.8	-68.1	140.2	1.9	114.2	D866 P867	D866-R869 PolarHBondContact O-N 3.44Å; P867-R869 PolarHBondContact O-N 2.9Å; P867-R869 VanDerWaalsContact O-N 3.13Å
870	E	54.8	Low	54.8	Low	142 Å²	142	122.8 Å²	122.8	66%	0.664	61%	0.613	S	S	*	*	H	α-helix	trans	-87.1	-37.9	177.1	-172.4	164.6	-131.4	0	0	111.9	P867 R868 E872 R873 G874	P867-E870 PolarHBondContact O-N 3.48Å; R868-E870 VanDerWaalsContact C-N 3.29Å; R868-E870 PolarHBondContact O-N 3.11Å; E870-E872 VanDerWaalsContact C-N 3.34Å; E870-E872 PolarHBondContact O-N 2.89Å; E870-R873 WeakPolarHBondContact O-CA 3.15Å; E870-R873 WeakPolarHBondContact O-CB 3.21Å; E870-R873 PolarHBondContact O-N 3.22Å; E870-G874 PolarHBondContact O-N 2.97Å
871	H	56.3	Low	57	Low	165 Å²	165	121.7 Å²	121.7	76%	0.764	61%	0.608	S	S	*	*	H	α-helix	trans	-62.8	-40.5	174.7	-170.7	64.7	0	0	0	112	R873 G874 G875	H871-R873 PolarHBondContact O-N 3.13Å; H871-G874 PolarHBondContact O-N 2.99Å; H871-G875 PolarHBondContact O-N 2.88Å
872	E	56.2	Low	59.7	Low	117 Å²	117	117.9 Å²	117.9	55%	0.547	59%	0.587	S	S	.	*	H	α-helix	trans	-61.9	-26.1	171.2	-67.6	170.8	159.6	0	0	112.6	E870 H876	E870-E872 VanDerWaalsContact C-N 3.34Å; E870-E872 PolarHBondContact O-N 2.89Å; E872-H876 WeakPolarHBondContact O-CB 3.33Å; E872-H876 PolarHBondContact O-N 3.29Å
873	R	56.9	Low	61.5	Low	190 Å²	190	119.1 Å²	119.1	72%	0.717	59%	0.589	S	S	*	*	H	α-helix	trans	-78.8	-26.9	180	-149.4	180	-165.2	-173.4	3.8	113.1	E870 H871	E870-R873 WeakPolarHBondContact O-CA 3.15Å; E870-R873 WeakPolarHBondContact O-CB 3.21Å; E870-R873 PolarHBondContact O-N 3.22Å; H871-R873 PolarHBondContact O-N 3.13Å
874	G	59.1	Low	63.1	Low	37 Å²	37	114 Å²	114	38%	0.381	56%	0.561	S	S	.	*	H	α-helix	trans	-66.3	-62	170.1	0	0	0	0	0	110.9	E870 H871 H876 L877	E870-G874 PolarHBondContact O-N 2.97Å; H871-G874 PolarHBondContact O-N 2.99Å; G874-H876 PolarHBondContact O-N 3.49Å; G874-H876 VanDerWaalsContact O-N 3.13Å; G874-L877 WeakPolarHBondContact O-CB 3.05Å; G874-L877 PolarHBondContact O-N 3.28Å
875	G	69.8	Low	64.7	Low	46 Å²	46	112 Å²	112	47%	0.474	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-25.8	-178.7	0	0	0	0	0	114.8	H871 L877 E879	H871-G875 PolarHBondContact O-N 2.88Å; G875-L877 VanDerWaalsContact C-N 3.29Å; G875-L877 PolarHBondContact O-N 3.21Å; G875-E879 PolarHBondContact O-N 3.19Å
876	H	65.8	Low	66.2	Low	131 Å²	131	111.8 Å²	111.8	61%	0.606	54%	0.536	S	S	*	.	H	α-helix	trans	-70.4	-21	171.7	-170.2	-56.5	0	0	0	112.7	E872 G874 R880	E872-H876 WeakPolarHBondContact O-CB 3.33Å; E872-H876 PolarHBondContact O-N 3.29Å; G874-H876 PolarHBondContact O-N 3.49Å; G874-H876 VanDerWaalsContact O-N 3.13Å; H876-R880 WeakPolarHBondContact O-CB 2.92Å; H876-R880 PolarHBondContact O-N 2.87Å
877	L	69.7	Low	67.9	Low	109 Å²	109	110.5 Å²	110.5	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-72.3	-49.8	171.1	-85.1	162.6	0	0	0	110.6	G874 G875 E879 R880 E881	G874-L877 WeakPolarHBondContact O-CB 3.05Å; G874-L877 PolarHBondContact O-N 3.28Å; G875-L877 VanDerWaalsContact C-N 3.29Å; G875-L877 PolarHBondContact O-N 3.21Å; L877-E879 VanDerWaalsContact C-N 3.34Å; L877-E879 PolarHBondContact O-N 2.73Å; L877-R880 CarbonylContact O-C 3.25Å; L877-R880 WeakPolarHBondContact O-CB 3.44Å; L877-R880 PolarHBondContact O-N 3.31Å; L877-E881 WeakPolarHBondContact O-CG 3.36Å; L877-E881 PolarHBondContact O-N 3.13Å
878	D	73.1	Confident	68.9	Low	111 Å²	111	109.1 Å²	109.1	59%	0.594	51%	0.508	S	S	*	.	H	α-helix	trans	-60.2	-37.4	174.7	-60.3	-116.6	0	0	0	113	E881 R882	D878-E881 WeakPolarHBondContact O-CB 3.45Å; D878-E881 PolarHBondContact O-N 3.4Å; D878-R882 PolarHBondContact O-N 3.12Å
879	E	76.8	Confident	69.7	Low	121 Å²	121	103.9 Å²	103.9	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-80.6	-27.2	175.5	-169.7	152.9	-130	0	0	113.5	G875 L877 E881 R882	G875-E879 PolarHBondContact O-N 3.19Å; L877-E879 VanDerWaalsContact C-N 3.34Å; L877-E879 PolarHBondContact O-N 2.73Å; E879-E881 VanDerWaalsContact C-N 3.27Å; E879-R882 WeakPolarHBondContact O-CB 3.07Å; E879-R882 PolarHBondContact O-N 2.92Å
880	R	71.4	Confident	70.6	Confident	131 Å²	131	103.1 Å²	103.1	49%	0.494	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-38.5	165.6	178.5	-179.2	-169.4	-168	0.7	110.5	V231 A232 H876 L877	V231-R880 PolarHBondContact O-NE 2.64Å; V231-R880 PolarHBondContact O-NH2 3.29Å; A232-R880 CarbonylContact C-O 3.57Å; H876-R880 WeakPolarHBondContact O-CB 2.92Å; H876-R880 PolarHBondContact O-N 2.87Å; L877-R880 CarbonylContact O-C 3.25Å; L877-R880 WeakPolarHBondContact O-CB 3.44Å; L877-R880 PolarHBondContact O-N 3.31Å
881	E	77.9	Confident	71.2	Confident	96 Å²	96	98.7 Å²	98.7	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-55.7	-58.4	171.4	-69	-135.6	112.6	0	0	108.3	A232 G233 H234 L877 D878 E879 L883 H884	A232-E881 WeakPolarHBondContact O-CA 3.48Å; G233-E881 VanDerWaalsContact C-CB 3.48Å; G233-E881 CarbonylContact C-O 3.58Å; G233-E881 WeakPolarHBondContact CA-O 3.17Å; G233-E881 WeakPolarHBondContact CA-OE1 3.45Å; G233-E881 PolarHBondContact N-O 3.45Å; H234-E881 PolarHBondContact N-O 2.97Å; H234-E881 CarbonylContact O-C 3.01Å; H234-E881 WeakPolarHBondContact O-CB 3.41Å; L877-E881 WeakPolarHBondContact O-CG 3.36Å; L877-E881 PolarHBondContact O-N 3.13Å; D878-E881 WeakPolarHBondContact O-CB 3.45Å; D878-E881 PolarHBondContact O-N 3.4Å; E879-E881 VanDerWaalsContact C-N 3.27Å; E881-L883 PolarHBondContact O-N 2.85Å; E881-H884 PolarHBondContact O-N 2.82Å
882	R	84.2	Confident	71.3	Confident	70 Å²	70	97 Å²	97	26%	0.264	47%	0.465	S	S	.	.	H	α-helix	trans	-46.9	-28.1	-172.4	-134.7	177.1	85.8	71.9	-15.4	116.7	H234 P235 G237 D878 E879	H234-R882 VanDerWaalsContact O-CA 3.25Å; H234-R882 WeakPolarHBondContact O-CA 3.15Å; H234-R882 PolarHBondContact O-N 2.92Å; P235-R882 WeakPolarHBondContact O-CG 3.24Å; P235-R882 PolarHBondContact O-NH1 3.07Å; P235-R882 VanDerWaalsContact O-NH1 3.13Å; G237-R882 VanDerWaalsContact CA-NH1 3.32Å; G237-R882 PolarHBondContact O-NH2 2.78Å; D878-R882 PolarHBondContact O-N 3.12Å; E879-R882 WeakPolarHBondContact O-CB 3.07Å; E879-R882 PolarHBondContact O-N 2.92Å
883	L	84.2	Confident	71.2	Confident	97 Å²	97	96.7 Å²	96.7	51%	0.508	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4	-176.8	-63.9	171.5	0	0	0	115.8	V231 E881	V231-L883 HydrophobicContact CG1-CB 4.5Å; V231-L883 WeakPolarHBondContact CG1-O 3.19Å; E881-L883 PolarHBondContact O-N 2.85Å
884	H	73.4	Confident	71.3	Confident	52 Å²	52	92.1 Å²	92.1	24%	0.241	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-51.9	173.9	-155	-137.8	0	0	0	112.9	V231 A232 E881 L886 R887 E888	V231-H884 HydrophobicContact CG1-CB 4.28Å; A232-H884 HydrophobicContact CB-CB 3.91Å; A232-H884 WeakPolarHBondContact CB-CD2 3.44Å; A232-H884 VanDerWaalsContact CB-CG 3.44Å; E881-H884 PolarHBondContact O-N 2.82Å; H884-L886 PolarHBondContact O-N 3.39Å; H884-R887 CarbonylContact O-C 3.37Å; H884-R887 WeakPolarHBondContact O-CA 3.44Å; H884-R887 WeakPolarHBondContact O-CB 3.47Å; H884-R887 PolarHBondContact O-N 3.47Å; H884-E888 VanDerWaalsContact CE1-CD 3.41Å; H884-E888 IonicContact CE1-OE1 3.89Å; H884-E888 PolarHBondContact CE1-OE1 2.65Å; H884-E888 IonicContact CE1-OE2 3.82Å; H884-E888 IonicContact CG-OE1 3.95Å; H884-E888 IonicContact CG-OE2 2.67Å; H884-E888 VanDerWaalsContact CG-OE2 3.28Å; H884-E888 IonicContact ND1-OE1 3.6Å; H884-E888 PolarHBondContact ND1-OE1 2.96Å; H884-E888 IonicContact ND1-OE2 2.7Å; H884-E888 PolarHBondContact ND1-OE2 2.97Å; H884-E888 WeakPolarHBondContact O-CG 3.49Å; H884-E888 PolarHBondContact O-N 2.83Å
885	M	74.9	Confident	71.2	Confident	62 Å²	62	96.6 Å²	96.6	31%	0.305	47%	0.468	S	S	.	.	H	α-helix	trans	-56.6	-41	-176.1	-146	171.5	74.5	0	0	110.5	H234 R887 E888 D889	H234-M885 HydrophobicContact CB-CB 3.98Å; H234-M885 HydrophobicContact CB-CG 4.23Å; H234-M885 HydrophobicContact CB-SD 3.76Å; H234-M885 WeakPolarHBondContact ND1-CB 3.13Å; H234-M885 WeakPolarHBondContact ND1-CG 3.31Å; M885-R887 VanDerWaalsContact C-N 3.32Å; M885-R887 PolarHBondContact O-N 2.82Å; M885-E888 VanDerWaalsContact CA-OE2 3.23Å; M885-E888 WeakPolarHBondContact CA-OE2 3.32Å; M885-E888 PolarHBondContact N-OE2 2.98Å; M885-E888 PolarHBondContact O-N 3.09Å; M885-D889 WeakPolarHBondContact O-CB 3.45Å; M885-D889 VanDerWaalsContact O-CG 3.3Å; M885-D889 PolarHBondContact O-N 3.42Å
886	L	83.3	Confident	70.4	Confident	99 Å²	99	101.8 Å²	101.8	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-25.4	173.8	-113.5	71.6	0	0	0	114.9	H884 Y890	H884-L886 PolarHBondContact O-N 3.39Å; L886-Y890 WeakPolarHBondContact O-CB 3.27Å; L886-Y890 PolarHBondContact O-N 2.79Å
887	R	75.3	Confident	69.5	Low	90 Å²	90	99.5 Å²	99.5	34%	0.34	48%	0.478	S	S	.	.	H	α-helix	trans	-86	-34.6	172.7	179.2	162.2	-71.1	136.5	3.8	112.1	Q230 V231 H884 M885 Y890 E891	Q230-R887 PolarHBondContact O-NH1 2.83Å; V231-R887 HydrophobicContact CG1-CB 4.39Å; H884-R887 CarbonylContact O-C 3.37Å; H884-R887 WeakPolarHBondContact O-CA 3.44Å; H884-R887 WeakPolarHBondContact O-CB 3.47Å; H884-R887 PolarHBondContact O-N 3.47Å; M885-R887 VanDerWaalsContact C-N 3.32Å; M885-R887 PolarHBondContact O-N 2.82Å; R887-Y890 PolarHBondContact O-N 3.1Å; R887-E891 HydrophobicContact CG-CG 4.14Å; R887-E891 WeakPolarHBondContact O-CG 3.12Å; R887-E891 PolarHBondContact O-N 2.83Å
888	E	75.2	Confident	68.2	Low	63 Å²	63	98.2 Å²	98.2	29%	0.294	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-49.9	174.1	-69	164.2	120.9	0	0	109.3	H234 H884 M885 Y890 E891 H892	H234-E888 IonicContact CE1-OE1 3.16Å; H234-E888 IonicContact CE1-OE2 3.94Å; H234-E888 PolarHBondContact CE1-OE2 3.13Å; H234-E888 IonicContact ND1-OE2 2.85Å; H234-E888 PolarHBondContact ND1-OE2 3.26Å; H884-E888 VanDerWaalsContact CE1-CD 3.41Å; H884-E888 IonicContact CE1-OE1 3.89Å; H884-E888 PolarHBondContact CE1-OE1 2.65Å; H884-E888 IonicContact CE1-OE2 3.82Å; H884-E888 IonicContact CG-OE1 3.95Å; H884-E888 IonicContact CG-OE2 2.67Å; H884-E888 VanDerWaalsContact CG-OE2 3.28Å; H884-E888 IonicContact ND1-OE1 3.6Å; H884-E888 PolarHBondContact ND1-OE1 2.96Å; H884-E888 IonicContact ND1-OE2 2.7Å; H884-E888 PolarHBondContact ND1-OE2 2.97Å; H884-E888 WeakPolarHBondContact O-CG 3.49Å; H884-E888 PolarHBondContact O-N 2.83Å; M885-E888 VanDerWaalsContact CA-OE2 3.23Å; M885-E888 WeakPolarHBondContact CA-OE2 3.32Å; M885-E888 PolarHBondContact N-OE2 2.98Å; M885-E888 PolarHBondContact O-N 3.09Å; E888-Y890 VanDerWaalsContact C-N 3.27Å; E888-Y890 PolarHBondContact O-N 2.88Å; E888-E891 PolarHBondContact O-N 3.26Å; E888-H892 WeakPolarHBondContact O-CB 2.99Å; E888-H892 PolarHBondContact O-CD2 3.49Å; E888-H892 PolarHBondContact O-N 3.14Å
889	D	70	Confident	66.9	Low	92 Å²	92	98 Å²	98	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-57.8	-36.2	172.7	-70.1	-26.5	0	0	0	113	M885 T893	M885-D889 WeakPolarHBondContact O-CB 3.45Å; M885-D889 VanDerWaalsContact O-CG 3.3Å; M885-D889 PolarHBondContact O-N 3.42Å; D889-T893 PolarHBondContact O-N 3.27Å; D889-T893 PolarHBondContact O-OG1 3.27Å
890	Y	74.8	Confident	65.4	Low	145 Å²	145	94.8 Å²	94.8	57%	0.569	46%	0.46	S	S	*	.	H	α-helix	trans	-73	-45.1	177.7	-178.5	-93.7	0	0	0	112.8	L886 R887 E888 H892 T893 R894	L886-Y890 WeakPolarHBondContact O-CB 3.27Å; L886-Y890 PolarHBondContact O-N 2.79Å; R887-Y890 PolarHBondContact O-N 3.1Å; E888-Y890 VanDerWaalsContact C-N 3.27Å; E888-Y890 PolarHBondContact O-N 2.88Å; Y890-H892 VanDerWaalsContact C-N 3.33Å; Y890-H892 PolarHBondContact O-N 3.15Å; Y890-T893 WeakPolarHBondContact O-CA 3.39Å; Y890-T893 WeakPolarHBondContact O-CB 3.28Å; Y890-T893 PolarHBondContact O-N 2.97Å; Y890-R894 PolarHBondContact O-N 3.43Å
891	E	67.2	Low	64	Low	49 Å²	49	92 Å²	92	23%	0.229	47%	0.465	C	S	.	.	H	α-helix	trans	-68.3	-33	177.7	-68.8	-62	145.7	0	0	111.5	R887 E888 T893 R894 L895	R887-E891 HydrophobicContact CG-CG 4.14Å; R887-E891 WeakPolarHBondContact O-CG 3.12Å; R887-E891 PolarHBondContact O-N 2.83Å; E888-E891 PolarHBondContact O-N 3.26Å; E891-T893 PolarHBondContact O-N 2.92Å; E891-R894 PolarHBondContact O-N 2.75Å; E891-R894 IonicContact OE1-NH1 3.37Å; E891-R894 PolarHBondContact OE1-NH1 3.09Å; E891-R894 IonicContact OE2-CZ 3.74Å; E891-R894 IonicContact OE2-NH1 2.7Å; E891-R894 PolarHBondContact OE2-NH1 2.97Å; E891-L895 WeakPolarHBondContact O-CG 3.28Å; E891-L895 PolarHBondContact O-N 3.14Å
892	H	58.6	Low	62.1	Low	130 Å²	130	92.1 Å²	92.1	60%	0.602	48%	0.476	S	S	*	.	H	α-helix	trans	-58.1	-34.1	167.7	-78.9	-52.3	0	0	0	113	E888 Y890	E888-H892 WeakPolarHBondContact O-CB 2.99Å; E888-H892 PolarHBondContact O-CD2 3.49Å; E888-H892 PolarHBondContact O-N 3.14Å; Y890-H892 VanDerWaalsContact C-N 3.33Å; Y890-H892 PolarHBondContact O-N 3.15Å
893	T	53.9	Low	60.1	Low	110 Å²	110	96 Å²	96	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-77.6	-29.2	174.4	-53.8	0	0	0	0	112.1	D889 Y890 E891	D889-T893 PolarHBondContact O-N 3.27Å; D889-T893 PolarHBondContact O-OG1 3.27Å; Y890-T893 WeakPolarHBondContact O-CA 3.39Å; Y890-T893 WeakPolarHBondContact O-CB 3.28Å; Y890-T893 PolarHBondContact O-N 2.97Å; E891-T893 PolarHBondContact O-N 2.92Å
894	R	58	Low	58.1	Low	94 Å²	94	98.6 Å²	98.6	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-82.2	-27.1	-174.7	-176.9	172.2	165	-105.5	-8.2	114.4	Y890 E891 H896	Y890-R894 PolarHBondContact O-N 3.43Å; E891-R894 PolarHBondContact O-N 2.75Å; E891-R894 IonicContact OE1-NH1 3.37Å; E891-R894 PolarHBondContact OE1-NH1 3.09Å; E891-R894 IonicContact OE2-CZ 3.74Å; E891-R894 IonicContact OE2-NH1 2.7Å; E891-R894 PolarHBondContact OE2-NH1 2.97Å; R894-H896 PolarHBondContact O-N 3.34Å
895	L	58	Low	56.2	Low	131 Å²	131	99.4 Å²	99.4	69%	0.686	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	19	-178.5	-73.9	166.3	0	0	0	115.4	E891	E891-L895 WeakPolarHBondContact O-CG 3.28Å; E891-L895 PolarHBondContact O-N 3.14Å
896	H	52.8	Low	54.4	Low	155 Å²	155	103.6 Å²	103.6	72%	0.718	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	25.6	-170.2	-78.4	-69.4	0	0	0	114.5	R894	R894-H896 PolarHBondContact O-N 3.34Å
897	S	47.6	Very low	52.3	Low	83 Å²	83	107 Å²	107	58%	0.58	57%	0.574	S	S	*	*	S	Bend	trans	-141.6	23.9	-174	-79.4	0	0	0	0	120.5	E275	E275-S897 VanDerWaalsContact CD-C 3.43Å; E275-S897 WeakPolarHBondContact OE1-CA 3.4Å
898	V	41.7	Very low	50.6	Low	82 Å²	82	108 Å²	108	50%	0.497	59%	0.593	S	S	.	*			trans	77.2	100.4	151.5	-169.9	0	0	0	0	118.9	E275 F276	E275-V898 WeakPolarHBondContact CB-O 3.05Å; E275-V898 VanDerWaalsContact CD-C 3.42Å; E275-V898 PolarHBondContact OE1-N 3.44Å; E275-V898 VanDerWaalsContact OE2-CA 3.32Å; E275-V898 WeakPolarHBondContact OE2-CA 3.25Å; E275-V898 PolarHBondContact OE2-N 3.24Å; F276-V898 PolarHBondContact N-O 3.26Å; F276-V898 VanDerWaalsContact O-O 3.09Å
899	H	45.7	Very low	48.8	Very low	107 Å²	107	113.5 Å²	113.5	50%	0.495	62%	0.618	S	S	.	*			trans	-75.9	157.6	156	-110.3	-75	0	0	0	112.5	T274 E275	T274-H899 PolarHBondContact O-NE2 3.1Å; E275-H899 HydrophobicContact CG-CB 4.3Å; E275-H899 PolarHBondContact OE2-N 2.87Å
900	P	44.7	Very low	47.5	Very low	53 Å²	53	114.6 Å²	114.6	34%	0.344	63%	0.63	S	S	.	*				-128.9	-159.7	103.4	40.2	-35.9	0	0	0	114.2	F276	F276-P900 WeakPolarHBondContact CB-O 3.18Å; F276-P900 HydrophobicContact CD1-CG 3.81Å; F276-P900 WeakPolarHBondContact CD2-O 3.18Å; F276-P900 HydrophobicContact CE1-CG 4.07Å; F276-P900 HydrophobicContact CG-CG 4.39Å; F276-P900 VanDerWaalsContact CG-O 3.28Å; F276-P900 WeakPolarHBondContact CG-O 2.98Å; F276-P900 WeakPolarHBondContact O-CD 3.42Å
901	A	42.2	Very low	45.3	Very low	73 Å²	73	112.5 Å²	112.5	60%	0.603	64%	0.637	S	S	*	*			trans	-160.4	176.9	-167.5	0	0	0	0	0	112.5
902	S	37.8	Very low	44	Very low	97 Å²	97	117.4 Å²	117.4	68%	0.678	66%	0.664	S	S	*	*			trans	-179.2	147.6	162.5	54.3	0	0	0	0	110.3
903	L	43.1	Very low	43.1	Very low	153 Å²	153	118.5 Å²	118.5	80%	0.801	67%	0.672	S	S	*	*			cis	-158.9	133.4	-16	-97.2	170	0	0	0	104.1
904	D	41	Very low	42	Very low	150 Å²	150	118.4 Å²	118.4	80%	0.802	67%	0.672	S	S	*	*				65.6	146	91	-166.6	24.6	0	0	0	115.7
905	G	34.2	Very low	41	Very low	69 Å²	69	119.6 Å²	119.6	71%	0.711	69%	0.692	S	S	*	*			trans	138	78.5	174	0	0	0	0	0	117
906	H	37.6	Very low	39.9	Very low	150 Å²	150	116.3 Å²	116.3	69%	0.694	69%	0.69	S	S	*	*			trans	-74.6	166.6	162.7	-68.8	-111.8	0	0	0	112
907	L	39.7	Very low	39.1	Very low	171 Å²	171	114.9 Å²	114.9	90%	0.895	69%	0.687	S	S	*	*				165.7	160.7	115.3	-83.4	172.5	0	0	0	113.3
908	P	38.9	Very low	38.6	Very low	112 Å²	112	114.6 Å²	114.6	73%	0.727	68%	0.683	S	S	*	*			trans	-109.2	-179.5	-160.4	42.3	-37.8	0	0	0	117.1
909	H	36.8	Very low	38.1	Very low	177 Å²	177	115.1 Å²	115.1	82%	0.819	69%	0.69	S	S	*	*			trans	-66.9	159.9	170.9	-58	-77.2	0	0	0	114.5
910	P	43.7	Very low	37.5	Very low	115 Å²	115	117.1 Å²	117.1	75%	0.747	70%	0.701	S	S	*	*				-130.2	149.6	105.7	10.6	11.1	0	0	0	112.3
911	S	29	Very low	37	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	72%	0.721	S	S	*	*				69.7	129	59.6	-50.4	0	0	0	0	112.2
912	L	38.8	Very low	36.3	Very low	151 Å²	151	126 Å²	126	79%	0.791	72%	0.72	S	S	*	*				-170	149.8	60.5	-87.7	173.7	0	0	0	115.6
913	I	39.9	Very low	36.3	Very low	153 Å²	153	126.5 Å²	126.5	79%	0.785	72%	0.721	S	S	*	*			trans	79.1	140.4	145.9	-59.2	156.8	0	0	0	121.9
914	T	29.9	Very low	35.7	Very low	108 Å²	108	129.9 Å²	129.9	66%	0.663	72%	0.724	S	S	*	*			trans	-100.6	170.7	-177.7	-10.8	0	0	0	0	113
915	P	37.9	Very low	35.4	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	72%	0.717	S	S	*	*				-156.5	174.3	78.4	42	-21.6	0	0	0	118.1
916	G	35.3	Very low	35.2	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	70%	0.704	S	S	*	*			trans	115.2	135.6	153.1	0	0	0	0	0	118.2
917	L	34.7	Very low	35.6	Very low	124 Å²	124	125.2 Å²	125.2	65%	0.649	70%	0.695	S	S	*	*			trans	-111.5	-177.6	173.9	-62.4	173.2	0	0	0	109.4
918	P	37.4	Very low	35.3	Very low	77 Å²	77	122 Å²	122	50%	0.5	68%	0.683	S	S	.	*			cis	-141.1	178.2	1.8	43.9	-26.4	0	0	0	117.7	L151	L151-P918 HydrophobicContact CD2-CG 3.58Å; L151-P918 HydrophobicContact CG-CG 3.9Å
919	S	32.4	Very low	35.2	Very low	93 Å²	93	121 Å²	121	65%	0.65	68%	0.684	S	S	*	*			trans	87.4	102.4	142.2	-149.5	0	0	0	0	122.6
920	M	31.3	Very low	35.1	Very low	149 Å²	149	115.6 Å²	115.6	73%	0.734	68%	0.676	S	S	*	*				76.2	136.6	129.1	-64.9	-69	-98.1	0	0	123.7
921	H	34.3	Very low	34.8	Very low	163 Å²	163	117.3 Å²	117.3	76%	0.755	68%	0.679	S	S	*	*			trans	68.9	97.1	159.8	-66.1	-61.1	0	0	0	121.4
922	Y	27.9	Very low	35.3	Very low	149 Å²	149	118.8 Å²	118.8	58%	0.584	68%	0.675	S	S	*	*			trans	-31.7	167.1	140.2	-80.1	-87.4	0	0	0	117.1	A136 Q137	A136-Y922 WeakPolarHBondContact O-CE1 3.35Å; Q137-Y922 PolarHBondContact N-OH 3.37Å; Q137-Y922 WeakPolarHBondContact O-CE2 3.33Å; Q137-Y922 VanDerWaalsContact O-CZ 3.29Å; Q137-Y922 PolarHBondContact O-OH 3.05Å
923	P	38.6	Very low	35.2	Very low	109 Å²	109	118.6 Å²	118.6	71%	0.708	67%	0.674	S	S	*	*			cis	-135.2	123.8	0.4	29.8	-8.4	0	0	0	115.4
924	R	31.1	Very low	34.7	Very low	224 Å²	224	115 Å²	115	85%	0.845	68%	0.675	S	S	*	*			trans	-163.8	138.6	155.7	-125.6	-169.9	-172.3	-143.6	3.1	115.4
925	I	33.5	Very low	35.1	Very low	129 Å²	129	117.7 Å²	117.7	66%	0.662	68%	0.684	S	S	*	*			trans	40.4	104.6	155.5	54.6	160.4	0	0	0	120.8
926	S	29.6	Very low	34.9	Very low	62 Å²	62	119 Å²	119	43%	0.434	68%	0.684	S	S	.	*			trans	90.2	174.3	134.9	-48.2	0	0	0	0	117.3	S135	S135-S926 WeakPolarHBondContact CB-O 3.43Å; S135-S926 PolarHBondContact OG-N 3.43Å; S135-S926 VanDerWaalsContact OG-N 3.09Å
927	P	46.3	Very low	34.6	Very low	80 Å²	80	122.2 Å²	122.2	52%	0.519	69%	0.687	S	S	.	*				-102	-176	-102.6	-4.1	26.3	0	0	0	117.9	P134	P134-P927 HydrophobicContact CB-CB 3.53Å; P134-P927 HydrophobicContact CB-CG 3.78Å
928	T	33.5	Very low	34.5	Very low	103 Å²	103	125.8 Å²	125.8	63%	0.632	70%	0.697	S	S	*	*			trans	100.7	136.3	152	-19	0	0	0	0	119.1
929	A	36.9	Very low	34.5	Very low	92 Å²	92	128.4 Å²	128.4	76%	0.76	71%	0.711	S	S	*	*			trans	38.7	143.5	153.5	0	0	0	0	0	124.2
930	G	35.7	Very low	35.7	Very low	62 Å²	62	129 Å²	129	64%	0.639	71%	0.713	S	S	*	*			trans	126.9	91.8	139.3	0	0	0	0	0	119.9
931	N	35.7	Very low	36.7	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	72%	0.715	S	S	*	*				12.9	138.8	121.6	-84.5	18.5	0	0	0	118.8
932	Q	39.4	Very low	36.7	Very low	134 Å²	134	124.4 Å²	124.4	63%	0.626	71%	0.707	S	S	*	*			cis	-155.5	164.9	19.5	-51.9	-179.8	24.1	0	0	114.1	L139	L139-Q932 WeakPolarHBondContact CD2-O 3.34Å
933	N	36.7	Very low	37.2	Very low	146 Å²	146	119.7 Å²	119.7	78%	0.781	70%	0.699	S	S	*	*			trans	44.3	128.8	141.8	-65.1	-30.5	0	0	0	123.4
934	G	30.9	Very low	37.1	Very low	78 Å²	78	116.1 Å²	116.1	80%	0.804	68%	0.679	S	S	*	*			trans	173.4	130.7	160.5	0	0	0	0	0	114.2
935	L	38	Very low	37.3	Very low	164 Å²	164	109.2 Å²	109.2	86%	0.859	66%	0.658	S	S	*	*			trans	-79.3	143.8	179.1	-81.7	60.9	0	0	0	112.1
936	L	34.3	Very low	37.2	Very low	146 Å²	146	106.4 Å²	106.4	76%	0.764	65%	0.65	S	S	*	*				160.2	119.8	114	-82.4	172	0	0	0	113.5
937	N	29.3	Very low	37.5	Very low	132 Å²	132	105.1 Å²	105.1	71%	0.706	64%	0.643	S	S	*	*			trans	50.6	121.2	139.3	-78.5	-55.9	0	0	0	123
938	K	32.3	Very low	37.9	Very low	198 Å²	198	104.9 Å²	104.9	86%	0.861	64%	0.641	S	S	*	*			trans	120.3	109	141.3	-67.5	151.7	-178.4	-178.6	0	118.6
939	T	36.4	Very low	39	Very low	132 Å²	132	104.1 Å²	104.1	81%	0.81	64%	0.638	S	S	*	*			trans	-69	-178.9	154.9	48.5	0	0	0	0	113.4
940	P	58.8	Low	39.6	Very low	105 Å²	105	104.6 Å²	104.6	68%	0.682	63%	0.634	S	S	*	*			cis	-125	-170.1	-39.2	37.2	-19	0	0	0	111.1
941	P	51.1	Low	39.6	Very low	119 Å²	119	109.5 Å²	109.5	77%	0.773	65%	0.645	S	S	*	*				-143.9	174.2	93.2	25.2	-1.7	0	0	0	113
942	T	35	Very low	39.5	Very low	98 Å²	98	109.8 Å²	109.8	60%	0.601	64%	0.644	S	S	*	*			cis	90.7	127.9	25	-58.4	0	0	0	0	115.4	P119 T120	P119-T942 HydrophobicContact CB-CG2 3.76Å; T120-T942 VanDerWaalsContact OG1-CA 3.28Å; T120-T942 WeakPolarHBondContact OG1-CA 3.03Å; T120-T942 VanDerWaalsContact OG1-CG2 3.28Å; T120-T942 WeakPolarHBondContact OG1-CG2 3.01Å
943	A	37.2	Very low	39	Very low	49 Å²	49	108.1 Å²	108.1	41%	0.405	65%	0.648	S	S	.	*			trans	145.1	123.5	-176.1	0	0	0	0	0	115.8	S118 P119 T120 Q121	S118-A943 WeakPolarHBondContact O-CB 3.19Å; P119-A943 HydrophobicContact CB-CB 4.1Å; T120-A943 PolarHBondContact OG1-N 3.19Å; Q121-A943 WeakPolarHBondContact CB-O 3.44Å; Q121-A943 WeakPolarHBondContact CG-O 3.37Å
944	A	36.6	Very low	38.8	Very low	35 Å²	35	107.2 Å²	107.2	29%	0.289	65%	0.648	S	S	.	*			trans	-173.3	-157.4	176.8	0	0	0	0	0	119	S118 T120 Q121	S118-A944 CarbonylContact C-O 2.98Å; S118-A944 WeakPolarHBondContact CB-O 3.11Å; S118-A944 PolarHBondContact O-N 2.71Å; S118-A944 VanDerWaalsContact O-O 3.11Å; T120-A944 VanDerWaalsContact CA-CB 3.42Å; Q121-A944 HydrophobicContact CB-CB 4.3Å; Q121-A944 HydrophobicContact CG-CB 4Å
945	L	36.9	Very low	39.1	Very low	79 Å²	79	111.2 Å²	111.2	41%	0.414	65%	0.649	S	S	.	*			trans	86.9	144.1	155.2	-67.1	161.7	0	0	0	122.9	P119 F212	P119-L945 WeakPolarHBondContact O-CD1 2.99Å; P119-L945 WeakPolarHBondContact O-CG 2.99Å; F212-L945 HydrophobicContact CB-CB 3.97Å; F212-L945 HydrophobicContact CB-CD2 3.95Å; F212-L945 HydrophobicContact CB-CG 4.41Å; F212-L945 HydrophobicContact CD1-CB 3.75Å; F212-L945 HydrophobicContact CG-CB 4.33Å
946	S	29.8	Very low	38.7	Very low	70 Å²	70	106.6 Å²	106.6	49%	0.49	64%	0.642	S	S	.	*			trans	-172	142.9	156.1	-174.6	0	0	0	0	113.1	A213 P214	A213-S946 CarbonylContact C-O 3.33Å; A213-S946 WeakPolarHBondContact CA-O 3.19Å; A213-S946 VanDerWaalsContact N-C 3.28Å; A213-S946 PolarHBondContact N-O 2.88Å; P214-S946 WeakPolarHBondContact CD-O 3.49Å
947	A	37.8	Very low	38.5	Very low	34 Å²	34	103.5 Å²	103.5	28%	0.281	65%	0.645	S	S	.	*			trans	174.8	-151.3	169.2	0	0	0	0	0	113.3	F212 A213	F212-A947 WeakPolarHBondContact CD2-O 3.29Å; A213-A947 HydrophobicContact CB-CB 3.69Å
948	P	52.9	Low	39.1	Very low	75 Å²	75	107.7 Å²	107.7	49%	0.487	65%	0.651	S	S	.	*			cis	-114.9	-101.6	-40.3	31.2	-16.6	0	0	0	112.4	M211	M211-P948 HydrophobicContact CB-CG 4.24Å; M211-P948 HydrophobicContact CG-CG 4.43Å
949	P	56.5	Low	39.3	Very low	87 Å²	87	101.2 Å²	101.2	57%	0.565	63%	0.629	S	S	*	*				-98.3	-141.2	-88.8	43.8	-28.7	0	0	0	110.7	M211	M211-P949 HydrophobicContact CE-CG 3.85Å
950	P	50.5	Low	38.9	Very low	102 Å²	102	98.7 Å²	98.7	66%	0.662	61%	0.613	S	S	*	*			cis	-133.3	176.1	-18	32.1	-10.1	0	0	0	116
951	L	35.8	Very low	38.1	Very low	166 Å²	166	98.6 Å²	98.6	87%	0.869	62%	0.615	S	S	*	*				153.5	169.9	127.2	-79.3	-179.2	0	0	0	112.9
952	I	32.6	Very low	37.4	Very low	157 Å²	157	97.1 Å²	97.1	81%	0.805	61%	0.606	S	S	*	*			trans	-123.2	152.5	-163.8	-26.6	171.4	0	0	0	109.6
953	S	29	Very low	37.4	Very low	99 Å²	99	101.8 Å²	101.8	69%	0.692	61%	0.612	S	S	*	*			trans	174.3	148.2	130.6	-82.4	0	0	0	0	114.2
954	T	33.2	Very low	37.3	Very low	127 Å²	127	109.6 Å²	109.6	78%	0.779	63%	0.631	S	S	*	*			trans	56.5	147.5	144.4	52	0	0	0	0	120.7
955	L	37	Very low	37.2	Very low	161 Å²	161	113.5 Å²	113.5	84%	0.843	65%	0.652	S	S	*	*			cis	-159.4	137.2	-16.2	-167.5	59.7	0	0	0	103.6
956	G	30	Very low	36.9	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	67%	0.666	S	S	*	*				67	105	74.3	0	0	0	0	0	112.1
957	G	30.9	Very low	37.6	Very low	80 Å²	80	116.8 Å²	116.8	83%	0.825	67%	0.674	S	S	*	*			trans	114.8	98.1	166.1	0	0	0	0	0	117.5
958	R	40.1	Very low	37.3	Very low	221 Å²	221	123.1 Å²	123.1	83%	0.834	70%	0.702	S	S	*	*				-72	151.7	126	-69	177.7	-179.7	-93.8	-0.9	105.8
959	P	37	Very low	36.1	Very low	62 Å²	62	124.8 Å²	124.8	40%	0.403	72%	0.715	S	S	.	*				-152.4	-146.8	54.4	33.3	-6.5	0	0	0	115.5	Q34 D35	Q34-P959 HydrophobicContact CB-CB 4.09Å; Q34-P959 HydrophobicContact CB-CG 4.27Å; Q34-P959 HydrophobicContact CG-CB 3.96Å; D35-P959 HydrophobicContact CB-CB 4.5Å; D35-P959 HydrophobicContact CB-CG 3.97Å; D35-P959 VanDerWaalsContact OD2-CB 3.28Å; D35-P959 WeakPolarHBondContact OD2-CB 3.23Å
960	V	29.1	Very low	34.8	Very low	78 Å²	78	125.1 Å²	125.1	47%	0.473	73%	0.725	S	S	.	*			trans	66.2	80.6	162.3	-150.3	0	0	0	0	117.2	Q34 P962	Q34-V960 HydrophobicContact CB-CG2 4.36Å; Q34-V960 VanDerWaalsContact NE2-N 3.13Å; V960-P962 HydrophobicContact CG1-CB 3.62Å; V960-P962 HydrophobicContact CG1-CG 3.56Å
961	S	40.8	Very low	33.9	Very low	103 Å²	103	127.7 Å²	127.7	72%	0.72	73%	0.729	S	S	*	*				-33.1	120.7	100.1	154	0	0	0	0	117.3
962	P	36.9	Very low	33.9	Very low	89 Å²	89	125.3 Å²	125.3	58%	0.578	72%	0.716	S	S	*	*			trans	-139.6	84.9	156.4	40.7	-23.7	0	0	0	114.8	V960	V960-P962 HydrophobicContact CG1-CB 3.62Å; V960-P962 HydrophobicContact CG1-CG 3.56Å
963	R	35.7	Very low	34	Very low	196 Å²	196	127.3 Å²	127.3	74%	0.74	71%	0.713	S	S	*	*			trans	62.4	-146.3	156.7	-54.8	177.4	169.7	178.3	-4.5	110.9	E31	E31-R963 IonicContact OE1-CZ 3.95Å; E31-R963 IonicContact OE1-NH2 2.68Å; E31-R963 PolarHBondContact OE1-NH2 2.96Å
964	R	35.1	Very low	34.1	Very low	212 Å²	212	129.6 Å²	129.6	80%	0.8	71%	0.713	S	S	*	*			cis	-159.6	149.1	7.3	-148	173.4	177.7	-172.9	-1.3	105.5
965	T	32.8	Very low	34.2	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.724	72%	0.718	S	S	*	*				-179.1	176.3	78.6	50.4	0	0	0	0	107.6
966	T	32.2	Very low	34.2	Very low	117 Å²	117	132.4 Å²	132.4	72%	0.718	71%	0.712	S	S	*	*			cis	-151.2	148.4	10.3	-25.5	0	0	0	0	109.7
967	P	44.8	Very low	35.3	Very low	100 Å²	100	135.3 Å²	135.3	65%	0.649	72%	0.719	S	S	*	*			trans	-87.9	-173.1	158.5	36.6	-34.2	0	0	0	111.7
968	L	29.9	Very low	35.3	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	72%	0.717	S	S	*	*			trans	81.3	149	174.9	-49.5	177.6	0	0	0	116.4
969	S	27.3	Very low	35.1	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	72%	0.715	S	S	*	*			cis	-172.9	127.6	-28.6	-178.5	0	0	0	0	110.1
970	A	30.6	Very low	34.9	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	72%	0.724	S	S	*	*			trans	-177.5	139.1	158.6	0	0	0	0	0	109.3
971	E	32	Very low	35.1	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	74%	0.738	S	S	*	*			cis	-161	164.4	-21.8	-143.3	-172.6	166.9	0	0	108.7
972	I	35.1	Very low	34.9	Very low	116 Å²	116	142.3 Å²	142.3	60%	0.595	74%	0.738	S	S	*	*			trans	40.6	136.8	140	-87.7	176.6	0	0	0	119.7
973	R	34.6	Very low	34.8	Very low	200 Å²	200	142.3 Å²	142.3	76%	0.755	73%	0.733	S	S	*	*			cis	-175.8	168.1	2.1	-141.3	174.9	172.9	116.9	-8.7	103.8
974	E	30.3	Very low	35	Very low	146 Å²	146	138.8 Å²	138.8	68%	0.682	73%	0.728	S	S	*	*			cis	-150.7	156.5	24	-52.9	-177.8	105.3	0	0	111.6
975	R	35.4	Very low	34.9	Very low	235 Å²	235	133.1 Å²	133.1	89%	0.887	71%	0.71	S	S	*	*				-152.3	135.5	109.5	-98	-179.3	-154.3	79.9	-3.3	108.4
976	P	38.3	Very low	35.1	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	70%	0.702	S	S	*	*			trans	-78.2	160.3	176.9	32.2	-34.6	0	0	0	112.2
977	P	53.1	Low	35.4	Very low	130 Å²	130	140 Å²	140	84%	0.844	72%	0.724	S	S	*	*			trans	-106	154.3	-175.7	39.1	-33.4	0	0	0	114.7
978	S	30.7	Very low	34.9	Very low	112 Å²	112	142.1 Å²	142.1	78%	0.783	73%	0.728	S	S	*	*			trans	-159.4	125.2	158	51	0	0	0	0	108.6
979	H	34.7	Very low	35.2	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.796	72%	0.72	S	S	*	*				68.2	120.4	78.8	-148.2	-97.2	0	0	0	109.7
980	T	33.8	Very low	35.6	Very low	95 Å²	95	142.4 Å²	142.4	58%	0.583	72%	0.718	S	S	*	*			cis	-162.9	141.2	19.8	4	0	0	0	0	107.8
981	L	32.7	Very low	35.9	Very low	146 Å²	146	145.3 Å²	145.3	76%	0.764	71%	0.714	S	S	*	*				76.9	140	81	-166.9	94.7	0	0	0	115
982	K	36.3	Very low	36.1	Very low	166 Å²	166	144.6 Å²	144.6	72%	0.722	71%	0.713	S	S	*	*			trans	85	110.2	175.7	-54.3	-165.9	176.9	-178.5	0	114.8
983	D	36.5	Very low	36.2	Very low	88 Å²	88	146.5 Å²	146.5	47%	0.471	72%	0.721	S	S	.	*				84.7	106.3	91.6	-70.8	-67.5	0	0	0	111.6	Q726	Q726-D983 PolarHBondContact NE2-OD1 2.82Å
984	I	38.3	Very low	36.3	Very low	123 Å²	123	142.7 Å²	142.7	63%	0.631	72%	0.719	S	S	*	*			trans	-171.8	119.2	173.5	29.7	168.1	0	0	0	111.6
985	E	34.5	Very low	36.8	Very low	93 Å²	93	142.5 Å²	142.5	44%	0.435	72%	0.721	S	S	.	*			trans	-154.8	-172	173.5	-59.5	95.9	-37.6	0	0	108.7	A724 P725 Q726	A724-E985 CarbonylContact C-O 3.55Å; A724-E985 WeakPolarHBondContact CA-O 3.01Å; A724-E985 PolarHBondContact N-O 2.97Å; P725-E985 WeakPolarHBondContact CA-OE1 3.02Å; P725-E985 WeakPolarHBondContact CB-OE1 3.47Å; Q726-E985 WeakPolarHBondContact CA-OE2 3.48Å; Q726-E985 PolarHBondContact N-OE1 2.99Å; Q726-E985 PolarHBondContact N-OE2 3.46Å
986	A	35.4	Very low	36.9	Very low	67 Å²	67	134.8 Å²	134.8	55%	0.554	71%	0.708	S	S	*	*			trans	68.2	120.7	-169.2	0	0	0	0	0	113.8	A724	A724-A986 WeakPolarHBondContact O-CB 3.13Å
987	R	38.6	Very low	36.8	Very low	313 Å²	313	136.8 Å²	136.8	100%	1.181	71%	0.706	S	S	*	*			cis	-120.4	0	31.9	-69.1	173.2	167.8	159.3	-3.5	114.7

Retrieved 987 of 987 residues in 455.2 ms (Link to these results)

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