A0A3Q0KBA9_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KBA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,507 aa.

						>A0A3Q0KBA9_SCHMA|A0A3Q0KBA9
MDKPTVDPILLGLDEHNDNGMQELNELFSDTCEDLNRKEHCATDSFNQLEVDRGSCVYSECHEPWEATFRPSGINVTTSEPPKYKPSITSGVLNSSQSTLKVMYNERDVFGTIKCDKPASYQSCEGVAKVVDEHNALEYSRSSTPTDPFIKRRLTTQEVPEHSPISTATHCRFRDTGPLKSFGPFQSSNKTHDFLTLRSNFPNLEVASFAPLTEASVMFSTPTVMPPVDSLNHRETSEVDPQLLKETEKMSPNSSPVCRRPGLSKGSGPSSPSAAHHCSLCGKQYRHVASLRNHMRKHTSGAFTSKRYKCNHCVYSSQYHRNVIKHMEATHRDHETLSTNNTSVFPEICSAPCDSVASDDLESGFINSRVWIPCTKAEPNTYCTMSGTTDSKDFPIFSNVEQSTGFPAPNLEPHIISRQMSSNYDSRMANKHYESDHVGNLGTVMIPNDVSKSYRCDIPGCDQAFHSVKYLSNHIKDSHRDIKRFKCPLEGCSFCGLRRMHLKRHITEFHSDKKLSLYKILDQNRLNHEPYNSVQPVMMYGRQEGLTLNVTKLSDNQPLKRKCYNPQMNNYVPLDPSYASDNSYHDPGCRGSDVYSFPMSGFPHASGDCCVSEDTDSMLFNHPVSKSFEQKPHSFIRMSNQINRPFENTSNSNMPLFHNERCLSVNKTRSINPSGDAHIQSLYSLPVSNQSVHYYQRDPNTLDNDIQLSCEIVNSVSLQEQQEFSQNNVYSNVKSLSFSPNNPPTNRMTEPDVVEQILDSTNAPNIVLDQILCEPIESNKDDEVKAETSTLSTITVNTSQMSPLNSKVLSNNVKSSVPGANMSINIVHTSNMLSETDAFLSDLQEILERDMPMLTSSTPKGLDSSEVVLVTVKEAISESKSPTGITGCKLTNTSSLPSTDSGHECWSSSSSCSVGPNNASTWGQQEAATPLKVSSPSSSSYPSNQPSGTNHSTPSIFDNQVTEQIVNEQFSDHDSRDQLSGSYPNTLHCASITVDGMPVTPQMSSVVGSYQTLPLKSNKNARINNTSQLLHGHSSYPHSTSFVRNSQSPTCNFENPRLQYSHDHSASNQITSMYRSSDDQSVNQQSSVPFYSSHNSYVSNDLTSNQVMFSYQQSDVQQMCQYSFNPSSLHSEPTYHSSYVQSKYQNYKPNETDVRLTPFKNYPPNPQEQAYWQPNPKYRTGSYEQMPNNTPISCRSMVFNAHEPYPFENSMPYSQNSSMSTRVTDSTLSGNENKSTHNLRHSDQLSIQNSGCLTPKYVNFPDTDNFNCDRTFQTTQQPVSKRWPAHEQQHLFNPHSACPSSNYTPNLQMTSPMYPVRQPSIHSISRVKSEDSNSCINSSNRMQNHGSYFSNQPPSASQYFPNSVCYTQSRPSQFFSPHSQYTPSQSVYRDMSQNENYVIGDRRYSTSQSNSTIQANIRHSNMGTIGNWSVDKNSFYSGNQQDTIIPQGINNSNVVGYSTESNAANIDQHPDSCQQFVPNPQNSHFISNSVDHVNSSLDNPSSGPLCE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	34.5	Very low	217 Å²	217	143.1 Å²	143.1	100%	1.069	77%	0.773	S	S	*	*				0	49.2	0	-38.5	-42.9	-174.3	0	0	113.2
2	D	45.5	Very low	34.5	Very low	152 Å²	152	136 Å²	136	81%	0.813	76%	0.759	S	S	*	*			cis	-149.9	162.9	-9.1	-78.3	-51.9	0	0	0	110.9
3	K	34.7	Very low	34.4	Very low	161 Å²	161	134.5 Å²	134.5	70%	0.7	75%	0.747	S	S	*	*			trans	-148.3	124.9	-166	-160.6	-164.1	169.9	-167.8	0	109.7	T5	K3-T5 WeakPolarHBondContact CD-OG1 3.31Å; K3-T5 VanDerWaalsContact CE-OG1 3.26Å; K3-T5 WeakPolarHBondContact CE-OG1 3.03Å; K3-T5 WeakPolarHBondContact CG-OG1 3.39Å
4	P	41.1	Very low	34.4	Very low	129 Å²	129	128.8 Å²	128.8	84%	0.838	72%	0.715	S	S	*	*				-110.3	129.2	125.9	-8.6	27.3	0	0	0	107.9
5	T	31.5	Very low	34.3	Very low	77 Å²	77	130.4 Å²	130.4	47%	0.472	72%	0.715	S	S	.	*			cis	69.8	133.2	25.7	-26.8	0	0	0	0	113.9	K3	K3-T5 WeakPolarHBondContact CD-OG1 3.31Å; K3-T5 VanDerWaalsContact CE-OG1 3.26Å; K3-T5 WeakPolarHBondContact CE-OG1 3.03Å; K3-T5 WeakPolarHBondContact CG-OG1 3.39Å
6	V	32	Very low	34.5	Very low	120 Å²	120	132 Å²	132	73%	0.727	72%	0.715	S	S	*	*			trans	73	124.4	170	-168.9	0	0	0	0	114.7
7	D	32.3	Very low	34.6	Very low	132 Å²	132	131.1 Å²	131.1	71%	0.706	71%	0.71	S	S	*	*			cis	-159.7	151.9	-14.5	-106.5	-8.2	0	0	0	110.6
8	P	34.9	Very low	34.7	Very low	104 Å²	104	130.7 Å²	130.7	68%	0.675	71%	0.707	S	S	*	*			trans	-84.5	165.4	147.2	37.1	-31.7	0	0	0	110.5
9	I	30.9	Very low	34.7	Very low	154 Å²	154	131.6 Å²	131.6	79%	0.79	71%	0.712	S	S	*	*			trans	114.4	141.3	-175.8	-70.6	158.4	0	0	0	110.6
10	L	33.5	Very low	35	Very low	157 Å²	157	128.2 Å²	128.2	82%	0.822	71%	0.709	S	S	*	*			cis	-152.7	-169.6	-14.3	-115.9	178.2	0	0	0	110.4
11	L	31.1	Very low	35.2	Very low	171 Å²	171	129.5 Å²	129.5	90%	0.895	71%	0.712	S	S	*	*			trans	-110.3	153.2	-178.1	-70.4	164.5	0	0	0	114.9
12	G	33.8	Very low	35.4	Very low	58 Å²	58	125 Å²	125	60%	0.598	69%	0.688	S	S	*	*			trans	115.5	162	151.3	0	0	0	0	0	118.3
13	L	33.3	Very low	35	Very low	116 Å²	116	124.7 Å²	124.7	61%	0.607	68%	0.682	S	S	*	*			cis	-177.6	-174.4	-26.8	-124.3	179.7	0	0	0	111.5	S881 P882 T883	L13-S881 PolarHBondContact N-OG 3.44Å; L13-S881 CarbonylContact O-C 2.89Å; L13-S881 VanDerWaalsContact O-C 3.23Å; L13-P882 CarbonylContact O-C 3.28Å; L13-P882 WeakPolarHBondContact O-CA 3.48Å; L13-T883 PolarHBondContact O-N 2.84Å; L13-T883 PolarHBondContact O-OG1 3Å
14	D	34.7	Very low	35.2	Very low	55 Å²	55	123.5 Å²	123.5	29%	0.294	68%	0.682	S	S	.	*			trans	56.9	138.6	163.7	51.8	148	0	0	0	124.2	S881 P882 T883	D14-S881 VanDerWaalsContact CG-O 3.31Å; D14-S881 WeakPolarHBondContact OD2-CB 3.15Å; D14-S881 PolarHBondContact OD2-N 3.24Å; D14-S881 PolarHBondContact OD2-OG 3.04Å; D14-P882 CarbonylContact O-C 3.15Å; D14-P882 VanDerWaalsContact O-C 3.29Å; D14-P882 WeakPolarHBondContact O-CA 3.34Å; D14-T883 PolarHBondContact N-OG1 3Å; D14-T883 VanDerWaalsContact N-OG1 3.13Å; D14-T883 WeakPolarHBondContact O-CA 2.94Å; D14-T883 WeakPolarHBondContact O-CB 3.49Å; D14-T883 PolarHBondContact O-N 3.43Å; D14-T883 PolarHBondContact O-OG1 3Å
15	E	32.4	Very low	34.8	Very low	153 Å²	153	123.3 Å²	123.3	72%	0.715	67%	0.674	S	S	*	*	B	Isolated β-bridge	trans	-99.9	167.2	-152.9	-38.9	93.9	124.7	0	0	118.6
16	H	38.4	Very low	34.9	Very low	156 Å²	156	126.1 Å²	126.1	72%	0.722	68%	0.682	S	S	*	*			trans	-152.5	150.2	147.1	-88.5	-82.1	0	0	0	109.9
17	N	34.9	Very low	35	Very low	117 Å²	117	126.2 Å²	126.2	63%	0.626	68%	0.677	S	S	*	*			cis	166.1	170.2	-35	177.1	52.1	0	0	0	105.9
18	D	37	Very low	35	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	68%	0.682	S	S	*	*			trans	74.3	148.9	170.8	-64.1	-50.1	0	0	0	117.9
19	N	35.1	Very low	34.9	Very low	149 Å²	149	127.8 Å²	127.8	80%	0.797	68%	0.678	S	S	*	*			cis	-168.3	148.4	-40.1	-127.1	-48.4	0	0	0	108.2
20	G	39.5	Very low	35	Very low	63 Å²	63	127 Å²	127	65%	0.649	68%	0.675	S	S	*	*			trans	164.7	87.9	174.8	0	0	0	0	0	119.5
21	M	39.3	Very low	35.1	Very low	156 Å²	156	126.7 Å²	126.7	77%	0.768	68%	0.681	S	S	*	*				40.7	137	128.9	-49.6	-52.6	-123.3	0	0	120.8
22	Q	37.6	Very low	35	Very low	121 Å²	121	122.7 Å²	122.7	57%	0.565	67%	0.666	S	S	*	*			cis	-173.7	158.5	-2.9	-123.1	172.1	-42.2	0	0	110.4
23	E	37.7	Very low	35.1	Very low	147 Å²	147	127.7 Å²	127.7	69%	0.687	67%	0.674	S	S	*	*			trans	45.2	145.4	135.9	-72.8	164.4	-154.2	0	0	122.6
24	L	38.6	Very low	35.1	Very low	136 Å²	136	124.5 Å²	124.5	71%	0.712	66%	0.657	S	S	*	*			cis	-143.4	148.4	-8.4	-82	133.9	0	0	0	106
25	N	31.7	Very low	35	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	67%	0.668	S	S	*	*			cis	76.9	145.6	44.9	-151.9	43.2	0	0	0	114.6
26	E	33.9	Very low	35	Very low	136 Å²	136	125.7 Å²	125.7	64%	0.636	67%	0.668	S	S	*	*			trans	69.7	143.4	169.6	-52.2	-72.2	90.7	0	0	117.1
27	L	34.8	Very low	34.7	Very low	121 Å²	121	127.8 Å²	127.8	63%	0.634	67%	0.67	S	S	*	*			cis	-160.1	137.1	-11.8	-94.4	163.7	0	0	0	110.2
28	F	32.4	Very low	34.9	Very low	185 Å²	185	129.9 Å²	129.9	81%	0.811	67%	0.673	S	S	*	*			trans	64.4	144.3	136.6	-82	-124.6	0	0	0	126.1
29	S	31.8	Very low	34.9	Very low	84 Å²	84	128.5 Å²	128.5	59%	0.587	66%	0.663	S	S	*	*			trans	76.1	111	142.4	-79.3	0	0	0	0	123.7
30	D	34.2	Very low	35.1	Very low	137 Å²	137	129.2 Å²	129.2	73%	0.733	66%	0.661	S	S	*	*				54.5	110.4	120.5	-45.9	-47.1	0	0	0	120.6
31	T	34.3	Very low	34.9	Very low	152 Å²	152	131.5 Å²	131.5	93%	0.933	67%	0.666	S	S	*	*				-172.7	168.3	107.9	20.3	0	0	0	0	112
32	C	30.8	Very low	34.8	Very low	86 Å²	86	128 Å²	128	58%	0.581	66%	0.662	S	S	*	*			trans	-95.4	145	178.4	-171	0	0	0	0	111.1
33	E	34.2	Very low	34.7	Very low	163 Å²	163	127.5 Å²	127.5	76%	0.762	67%	0.667	S	S	*	*			trans	-172.2	121	138.6	-105.7	166.2	-158.5	0	0	112.3	R590	E33-R590 PolarHBondContact O-NH1 3.19Å
34	D	34.4	Very low	34.6	Very low	49 Å²	49	126.8 Å²	126.8	26%	0.262	67%	0.668	S	S	.	*				25.7	152.9	114.5	-91.8	51.4	0	0	0	125.5	C589	D34-C589 HydrophobicContact CB-CB 4.44Å; D34-C589 VanDerWaalsContact OD1-C 3.25Å; D34-C589 WeakPolarHBondContact OD1-CA 3.46Å; D34-C589 VanDerWaalsContact OD1-CB 3.29Å; D34-C589 WeakPolarHBondContact OD1-CB 2.91Å; D34-C589 PolarHBondContact OD1-N 3.33Å; D34-C589 WeakPolarHBondContact OD2-CB 3.35Å; D34-C589 PolarHBondContact OD2-N 3.05Å
35	L	32.8	Very low	34.6	Very low	101 Å²	101	124.1 Å²	124.1	53%	0.529	66%	0.66	S	S	.	*			trans	72.6	103.5	146.2	-70.2	164.8	0	0	0	123.1	P587	L35-P587 HydrophobicContact CD2-CG 4.12Å
36	N	31.7	Very low	34.8	Very low	132 Å²	132	126.9 Å²	126.9	71%	0.706	67%	0.667	S	S	*	*				83.7	170.7	111.4	-152	-8.9	0	0	0	119.1
37	R	33	Very low	34.8	Very low	201 Å²	201	126 Å²	126	76%	0.758	67%	0.667	S	S	*	*			trans	75.2	143.7	178.8	-68.6	177.7	167.6	-173.8	-5	114.5	E39	R37-E39 IonicContact NE-OE1 2.73Å
38	K	38.7	Very low	35	Very low	161 Å²	161	127.2 Å²	127.2	70%	0.7	67%	0.669	S	S	*	*			cis	-153.2	159.3	17.8	-122.8	171.1	-167.1	-42	0	109.5
39	E	37.7	Very low	35.1	Very low	93 Å²	93	124.6 Å²	124.6	44%	0.435	66%	0.663	S	S	.	*			cis	-177.7	158	-32.7	-101.7	161	-138.7	0	0	108.1	R37	R37-E39 IonicContact NE-OE1 2.73Å
40	H	38.5	Very low	35.4	Very low	165 Å²	165	127.9 Å²	127.9	76%	0.764	67%	0.669	S	S	*	*			trans	69.1	149.3	160.1	-63.8	-49.2	0	0	0	119.5
41	C	35.9	Very low	35.6	Very low	111 Å²	111	127.6 Å²	127.6	75%	0.75	67%	0.672	S	S	*	*			cis	-163.6	178.8	0.4	-122	0	0	0	0	109.8
42	A	35.6	Very low	35.7	Very low	83 Å²	83	125.7 Å²	125.7	69%	0.686	66%	0.656	S	S	*	*			cis	-147.8	-98.7	-1.3	0	0	0	0	0	113
43	T	36.1	Very low	35.7	Very low	109 Å²	109	132.4 Å²	132.4	67%	0.669	67%	0.669	S	S	*	*			trans	-154.6	-177.3	-160.1	51.1	0	0	0	0	109.7
44	D	35.3	Very low	35.7	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	67%	0.67	S	S	*	*			cis	-159.9	173.4	22.6	-99.4	-68.7	0	0	0	107.8
45	S	38.5	Very low	35.6	Very low	80 Å²	80	131.1 Å²	131.1	56%	0.559	69%	0.694	S	S	*	*			cis	-180	-176.6	-28.3	-91.3	0	0	0	0	109.3
46	F	35.8	Very low	35.5	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.803	71%	0.706	S	S	*	*			trans	78.9	126	171.8	-67.8	-99	0	0	0	117.1
47	N	35.4	Very low	35.6	Very low	119 Å²	119	131.9 Å²	131.9	64%	0.636	71%	0.711	S	S	*	*			cis	117	146.6	27.5	-86	-33.4	0	0	0	108.6
48	Q	37.5	Very low	35.5	Very low	146 Å²	146	132.6 Å²	132.6	68%	0.682	72%	0.715	S	S	*	*			cis	-165.3	152.5	11.3	-121.8	165.5	15.6	0	0	112.1
49	L	35.4	Very low	35.2	Very low	129 Å²	129	129.6 Å²	129.6	68%	0.675	71%	0.714	S	S	*	*			trans	58	162	145.9	-63.9	161	0	0	0	119.5
50	E	36.8	Very low	35.1	Very low	154 Å²	154	133.8 Å²	133.8	72%	0.72	73%	0.734	S	S	*	*			cis	-148.7	135.6	5	-128.2	149.5	-165.6	0	0	107.9
51	V	38.7	Very low	34.6	Very low	130 Å²	130	131.5 Å²	131.5	79%	0.788	74%	0.735	S	S	*	*				68.1	138.4	96	169.6	0	0	0	0	115.6
52	D	36.1	Very low	34.4	Very low	112 Å²	112	135.6 Å²	135.6	60%	0.599	74%	0.743	S	S	*	*			cis	-170	172.1	-19.4	-165.5	9.9	0	0	0	109.8
53	R	32.3	Very low	34.3	Very low	227 Å²	227	139.4 Å²	139.4	86%	0.857	75%	0.746	S	S	*	*			trans	26.2	149.5	159	-70.7	155.1	-155.4	-123.6	-2.4	123.7
54	G	34	Very low	34.5	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	75%	0.745	S	S	*	*			trans	-155.8	-20.6	171.2	0	0	0	0	0	126.1
55	S	32.3	Very low	34.1	Very low	110 Å²	110	143 Å²	143	77%	0.769	75%	0.751	S	S	*	*			trans	45.4	111.1	164	178.5	0	0	0	0	123.1
56	C	30.7	Very low	33.9	Very low	117 Å²	117	146.5 Å²	146.5	79%	0.791	76%	0.758	S	S	*	*			trans	57.1	137.8	134.9	-55.9	0	0	0	0	124.6
57	V	34.4	Very low	33.8	Very low	132 Å²	132	141.1 Å²	141.1	80%	0.8	75%	0.748	S	S	*	*				163.9	112.1	123.7	156.2	0	0	0	0	107.7
58	Y	30.7	Very low	33.8	Very low	215 Å²	215	141.4 Å²	141.4	84%	0.843	75%	0.754	S	S	*	*				76.2	141.8	76.5	-116.8	-84.4	0	0	0	116
59	S	32.1	Very low	33.3	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	76%	0.76	S	S	*	*			trans	74.1	151	176.1	-41	0	0	0	0	115.5
60	E	35.3	Very low	33.1	Very low	182 Å²	182	147.9 Å²	147.9	85%	0.85	77%	0.768	S	S	*	*			cis	-153.5	172.2	0.7	-139.4	157.7	-154.2	0	0	111.2
61	C	28.5	Very low	32.9	Very low	117 Å²	117	145.8 Å²	145.8	79%	0.791	77%	0.768	S	S	*	*			trans	-133.6	144.7	-177.8	-50	0	0	0	0	111.8
62	H	30.5	Very low	32.4	Very low	197 Å²	197	145.3 Å²	145.3	91%	0.912	77%	0.771	S	S	*	*			trans	-178.7	146.2	134.3	-114.2	-90	0	0	0	116.3
63	E	34.4	Very low	32.3	Very low	162 Å²	162	143.4 Å²	143.4	76%	0.757	78%	0.778	S	S	*	*			trans	-75.4	171.8	162.7	-88.3	-95.7	150.8	0	0	112
64	P	39	Very low	32.3	Very low	98 Å²	98	139.6 Å²	139.6	64%	0.636	77%	0.772	S	S	*	*			cis	-148.4	-171.9	27.7	41.9	-20	0	0	0	120.1
65	W	28.5	Very low	32	Very low	219 Å²	219	141.1 Å²	141.1	83%	0.83	76%	0.763	S	S	*	*			trans	75.9	142.7	146.7	97.4	-82.1	0	0	0	121.5
66	E	33.7	Very low	32	Very low	154 Å²	154	137.5 Å²	137.5	72%	0.72	74%	0.736	S	S	*	*			cis	-134.8	-97.4	-20.2	-174.7	-155.4	-81.7	0	0	112	T68	E66-T68 PolarHBondContact OE2-N 3.32Å
67	A	34.6	Very low	31.9	Very low	70 Å²	70	134.8 Å²	134.8	58%	0.579	72%	0.716	S	S	*	*			cis	-152.1	128.8	-6	0	0	0	0	0	114.3
68	T	34.4	Very low	31.5	Very low	124 Å²	124	131.5 Å²	131.5	76%	0.761	70%	0.696	S	S	*	*			trans	67.4	167	171.9	-41.3	0	0	0	0	116.7	E66	E66-T68 PolarHBondContact OE2-N 3.32Å
69	F	27.1	Very low	31.3	Very low	184 Å²	184	123.7 Å²	123.7	81%	0.807	67%	0.673	S	S	*	*			trans	-99.4	145	-139.5	-83.1	-103	0	0	0	119.5
70	R	31.9	Very low	30.9	Very low	227 Å²	227	128.2 Å²	128.2	86%	0.857	68%	0.683	S	S	*	*			trans	-17.6	152.6	163.4	-59.8	-179.9	-178.8	-179.6	0	118.4
71	P	31.6	Very low	30.8	Very low	111 Å²	111	125.1 Å²	125.1	72%	0.721	68%	0.679	S	S	*	*			cis	-141.8	-179.2	25.5	41.1	-22.3	0	0	0	117.9
72	S	29.1	Very low	30.9	Very low	120 Å²	120	125.3 Å²	125.3	84%	0.839	68%	0.679	S	S	*	*			trans	73.7	122.4	162.5	8.5	0	0	0	0	117.9
73	G	33.3	Very low	30.8	Very low	72 Å²	72	124.8 Å²	124.8	74%	0.742	67%	0.674	S	S	*	*			trans	119.6	155.6	-175.4	0	0	0	0	0	111.8
74	I	32.7	Very low	30.5	Very low	146 Å²	146	127.7 Å²	127.7	75%	0.749	68%	0.679	S	S	*	*			cis	-146.3	-154.7	-14.9	-31.6	172.1	0	0	0	107.5	V76	I74-V76 HydrophobicContact CG2-CG2 3.88Å
75	N	28.2	Very low	30	Very low	108 Å²	108	131.8 Å²	131.8	58%	0.578	69%	0.687	S	S	*	*			trans	78.4	107.6	170.1	-57.9	-1.8	0	0	0	116
76	V	31.8	Very low	30.2	Very low	35 Å²	35	126.1 Å²	126.1	21%	0.212	68%	0.678	C	S	.	*			cis	82.1	107.5	21.5	-159.8	0	0	0	0	111.2	I74 M618 L619	I74-V76 HydrophobicContact CG2-CG2 3.88Å; V76-M618 VanDerWaalsContact C-SD 3.52Å; V76-M618 HydrophobicContact CB-SD 3.54Å; V76-M618 VanDerWaalsContact CB-SD 3.54Å; V76-M618 HydrophobicContact CG1-CB 3.42Å; V76-M618 VanDerWaalsContact CG1-CB 3.42Å; V76-M618 HydrophobicContact CG1-CG 3.7Å; V76-M618 HydrophobicContact CG1-SD 3.25Å; V76-M618 WeakPolarHBondContact CG1-SD 3.4Å; V76-L619 VanDerWaalsContact C-N 3.32Å; V76-L619 WeakPolarHBondContact CA-O 3.28Å; V76-L619 WeakPolarHBondContact CB-O 3.34Å; V76-L619 WeakPolarHBondContact CG1-O 3.26Å; V76-L619 VanDerWaalsContact CG2-O 3.25Å; V76-L619 WeakPolarHBondContact CG2-O 3.49Å
77	T	28.4	Very low	29.9	Very low	59 Å²	59	123.8 Å²	123.8	36%	0.362	68%	0.679	S	S	.	*			trans	-176.8	84.6	173.9	34.3	0	0	0	0	117.8	S617 M618 L619	T77-S617 VanDerWaalsContact CA-CB 3.47Å; T77-S617 VanDerWaalsContact CB-CB 3.44Å; T77-M618 HydrophobicContact CG2-CE 4.19Å; T77-M618 VanDerWaalsContact N-CA 3.28Å; T77-L619 VanDerWaalsContact C-CD1 3.5Å; T77-L619 WeakPolarHBondContact O-CD1 3.06Å; T77-L619 WeakPolarHBondContact O-CG 3.23Å
78	T	26.7	Very low	29.6	Very low	63 Å²	63	128.1 Å²	128.1	39%	0.387	69%	0.691	S	S	.	*			trans	-34.4	162.7	-174.3	13	0	0	0	0	119.3	S617 M618	T78-S617 VanDerWaalsContact OG1-C 3.25Å; T78-S617 WeakPolarHBondContact OG1-CA 3.5Å; T78-M618 WeakPolarHBondContact CA-O 3.48Å; T78-M618 WeakPolarHBondContact CB-O 3.25Å; T78-M618 WeakPolarHBondContact CG2-O 3.49Å; T78-M618 VanDerWaalsContact N-CA 3.31Å; T78-M618 PolarHBondContact N-O 2.74Å; T78-M618 PolarHBondContact OG1-N 3.35Å
79	S	25	Very low	29.4	Very low	51 Å²	51	127.3 Å²	127.3	36%	0.357	69%	0.686	S	S	.	*			cis	-159.7	139.3	12.5	47.6	0	0	0	0	113.6	Y730	S79-Y730 WeakPolarHBondContact CB-O 3.19Å; S79-Y730 WeakPolarHBondContact OG-CB 3.5Å; S79-Y730 PolarHBondContact OG-O 2.82Å
80	E	25.1	Very low	29.6	Very low	194 Å²	194	124.3 Å²	124.3	91%	0.907	69%	0.688	S	S	*	*			trans	-169	111	145.1	-131.8	-172.9	-140.6	0	0	112.7
81	P	32.8	Very low	29.5	Very low	117 Å²	117	117 Å²	117	76%	0.76	68%	0.683	S	S	*	*			trans	-148.3	179.5	137.8	41.3	-26.7	0	0	0	112.6
82	P	30.6	Very low	29.5	Very low	121 Å²	121	118 Å²	118	79%	0.786	69%	0.687	S	S	*	*			cis	-126.6	-179.2	-5.8	42.2	-28.1	0	0	0	114.3
83	K	28.5	Very low	29.6	Very low	186 Å²	186	118.8 Å²	118.8	81%	0.809	68%	0.681	S	S	*	*			trans	-73.1	150.5	155.8	-60.2	150.8	-176.1	164.4	0	109.6
84	Y	27.2	Very low	29.5	Very low	223 Å²	223	121.6 Å²	121.6	88%	0.875	68%	0.679	S	S	*	*			trans	170.7	141.5	133.4	-106.4	-121	0	0	0	107.2
85	K	29.5	Very low	29.3	Very low	183 Å²	183	118.9 Å²	118.9	80%	0.796	67%	0.673	S	S	*	*			cis	75.2	142.1	42.9	-101.7	-168.9	176.6	-178.4	0	114.2
86	P	32.8	Very low	29.5	Very low	100 Å²	100	118 Å²	118	65%	0.649	68%	0.676	S	S	*	*				-138.1	-176.8	-92.9	42	-26.6	0	0	0	115.8
87	S	27.5	Very low	29.6	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	70%	0.703	S	S	*	*			trans	81.5	167.7	154.2	-54.4	0	0	0	0	118.9
88	I	28.5	Very low	29.8	Very low	161 Å²	161	126 Å²	126	83%	0.826	72%	0.717	S	S	*	*			trans	88.1	135	165.6	-59.4	172.8	0	0	0	116.1
89	T	29.8	Very low	30.1	Very low	108 Å²	108	128.5 Å²	128.5	66%	0.663	73%	0.732	S	S	*	*			cis	-168.7	144.5	-24.9	-82.4	0	0	0	0	109
90	S	30.4	Very low	30.4	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	75%	0.754	S	S	*	*			trans	59.1	153.5	164.3	63.2	0	0	0	0	118.7
91	G	31.3	Very low	30.7	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	75%	0.75	S	S	*	*			cis	-155.2	-164.9	-4.4	0	0	0	0	0	108.6
92	V	31.4	Very low	30.6	Very low	133 Å²	133	134 Å²	134	81%	0.806	75%	0.753	S	S	*	*			cis	-153.1	177.1	1.2	114.4	0	0	0	0	108.5
93	L	29.4	Very low	30.6	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	75%	0.746	S	S	*	*			trans	-32	156.6	174.2	-72.2	72.8	0	0	0	116.8
94	N	31.3	Very low	30.8	Very low	131 Å²	131	131.9 Å²	131.9	70%	0.701	73%	0.732	S	S	*	*			cis	-163.5	165.8	21.5	-135.8	0.9	0	0	0	116.9
95	S	29.5	Very low	31.1	Very low	89 Å²	89	125.1 Å²	125.1	62%	0.622	71%	0.711	S	S	*	*			trans	41.8	119.9	141	-100.8	0	0	0	0	122.3
96	S	33.1	Very low	31.3	Very low	91 Å²	91	120.5 Å²	120.5	64%	0.636	69%	0.692	S	S	*	*				87.6	145.3	70.9	80.9	0	0	0	0	114
97	Q	33.3	Very low	31.3	Very low	168 Å²	168	122.8 Å²	122.8	79%	0.785	69%	0.688	S	S	*	*			cis	-169	149.5	10.2	-136.7	169.4	26.2	0	0	112.5
98	S	32.7	Very low	31.6	Very low	93 Å²	93	122.6 Å²	122.6	65%	0.65	68%	0.679	S	S	*	*			trans	60	151.3	138.5	65.9	0	0	0	0	123.8
99	T	33.1	Very low	32	Very low	116 Å²	116	120.9 Å²	120.9	71%	0.712	68%	0.675	S	S	*	*			cis	-173.7	144.9	-14.4	28	0	0	0	0	114.4
100	L	30.4	Very low	32.1	Very low	153 Å²	153	124 Å²	124	80%	0.801	68%	0.68	S	S	*	*			trans	69.5	146.1	141.5	-68.3	167.2	0	0	0	120.9
101	K	31.6	Very low	32.4	Very low	189 Å²	189	120 Å²	120	82%	0.822	66%	0.657	S	S	*	*			cis	-159.8	179.1	35.7	-106.4	135.1	178.5	-178.2	0	110.9
102	V	31.5	Very low	32.7	Very low	136 Å²	136	119.6 Å²	119.6	82%	0.824	64%	0.64	S	S	*	*			cis	-152.1	-137.1	-15.2	70.4	0	0	0	0	112.6
103	M	29.8	Very low	33	Very low	133 Å²	133	116.6 Å²	116.6	66%	0.655	62%	0.619	S	S	*	*			trans	-169.2	175.4	-166.2	67.4	-168.1	-170	0	0	118.3
104	Y	33.6	Very low	33.5	Very low	129 Å²	129	117.7 Å²	117.7	51%	0.506	62%	0.618	S	S	.	*			trans	93.4	153.5	155.7	-79.9	14.8	0	0	0	122.8	H903	Y104-H903 HydrophobicContact CE1-CB 4.39Å
105	N	32.5	Very low	33.9	Very low	80 Å²	80	116 Å²	116	43%	0.428	62%	0.615	S	S	.	*			cis	176.7	160.7	-27.2	-104.1	9.4	0	0	0	117.3	G902 H903	N105-G902 PolarHBondContact ND2-O 2.98Å; N105-H903 PolarHBondContact ND2-N 3.38Å; N105-H903 PolarHBondContact ND2-O 3.39Å
106	E	33.6	Very low	34.3	Very low	86 Å²	86	117.1 Å²	117.1	40%	0.402	61%	0.614	S	S	.	*			trans	84.3	148.7	146.1	-82.9	-165.6	155.6	0	0	124.7	S901 H903	E106-S901 VanDerWaalsContact N-C 3.29Å; E106-S901 PolarHBondContact N-O 3.41Å; E106-H903 PolarHBondContact OE1-N 3.09Å
107	R	33.9	Very low	34.5	Very low	148 Å²	148	120.7 Å²	120.7	56%	0.558	62%	0.618	S	S	*	*			cis	-175.4	-177.9	-13	-140.5	-164.2	-44.3	92.8	10.7	115.5	D900	R107-D900 WeakPolarHBondContact CA-O 3.37Å
108	D	33.4	Very low	34.9	Very low	102 Å²	102	118.4 Å²	118.4	55%	0.545	62%	0.618	S	S	.	*			trans	88.4	169.7	161	-88.1	-113.9	0	0	0	120.2
109	V	35.5	Very low	35.3	Very low	125 Å²	125	118.6 Å²	118.6	76%	0.758	63%	0.626	S	S	*	*			cis	-157.4	-158.4	27.9	77.2	0	0	0	0	115.8
110	F	32.5	Very low	35.5	Very low	174 Å²	174	118 Å²	118	76%	0.763	63%	0.626	S	S	*	*			trans	-144	179	-169.3	-47.3	-88.1	0	0	0	113.8
111	G	37.4	Very low	36.2	Very low	35 Å²	35	120.6 Å²	120.6	36%	0.361	63%	0.627	S	S	.	*			cis	175.7	-145.2	11.4	0	0	0	0	0	113.2
112	T	37.3	Very low	36.4	Very low	65 Å²	65	118.8 Å²	118.8	40%	0.399	62%	0.621	S	S	.	*			trans	89.2	148.9	164.5	73.9	0	0	0	0	123.2	L337 T339	T112-L337 HydrophobicContact CG2-CD2 3.63Å; T112-T339 VanDerWaalsContact O-CB 3.27Å; T112-T339 WeakPolarHBondContact O-CB 3.5Å; T112-T339 WeakPolarHBondContact O-CG2 3.46Å; T112-T339 PolarHBondContact O-OG1 3.05Å
113	I	36.5	Very low	36.6	Very low	71 Å²	71	116.9 Å²	116.9	36%	0.364	61%	0.614	S	S	.	*			cis	-149	-151.8	-43.4	-16.9	81.8	0	0	0	113.6	E335 T336	I113-E335 WeakPolarHBondContact CG2-O 3.25Å; I113-T336 WeakPolarHBondContact CG1-O 3.47Å; I113-T336 HydrophobicContact CG2-CG2 4.4Å
114	K	40.4	Very low	36.8	Very low	157 Å²	157	116 Å²	116	68%	0.683	62%	0.619	S	S	*	*			cis	-171	153.5	14.4	-139	-160.8	-60.9	174.9	0	118
115	C	39.3	Very low	36.9	Very low	96 Å²	96	118.4 Å²	118.4	65%	0.649	64%	0.635	S	S	*	*			trans	62.8	169	145.6	-76.9	0	0	0	0	126.3
116	D	39	Very low	37.1	Very low	112 Å²	112	117.9 Å²	117.9	60%	0.599	65%	0.649	S	S	*	*			cis	178.6	137.7	-37.6	-164.1	38.2	0	0	0	117.7
117	K	37.6	Very low	37.1	Very low	166 Å²	166	121 Å²	121	72%	0.722	67%	0.674	S	S	*	*			trans	66.2	-166.6	147.2	-86.5	-178.4	-151.8	82.8	0	125.3
118	P	41.2	Very low	37.2	Very low	120 Å²	120	118 Å²	118	78%	0.779	68%	0.681	S	S	*	*				-141.7	-157.2	-63.6	45.5	-27.7	0	0	0	118.1
119	A	40.6	Very low	37.2	Very low	98 Å²	98	122.6 Å²	122.6	81%	0.81	70%	0.695	S	S	*	*			trans	116.9	165.1	157.9	0	0	0	0	0	119.5
120	S	38.8	Very low	36.9	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	70%	0.697	S	S	*	*			cis	-173.6	176.5	-35.1	64.8	0	0	0	0	116
121	Y	43.6	Very low	36.8	Very low	207 Å²	207	120.9 Å²	120.9	81%	0.812	70%	0.699	S	S	*	*			trans	82.4	163.8	157.4	-96.1	-101.2	0	0	0	127.1
122	Q	37.1	Very low	36.4	Very low	151 Å²	151	126.3 Å²	126.3	71%	0.706	72%	0.72	S	S	*	*				-166.1	167.2	-77.3	-154.1	173.1	-40.5	0	0	116.9
123	S	35.2	Very low	36	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	74%	0.74	S	S	*	*			trans	96.7	158.2	138	74.1	0	0	0	0	126.3
124	C	34.7	Very low	35.8	Very low	114 Å²	114	135.5 Å²	135.5	77%	0.77	76%	0.756	S	S	*	*			trans	124.8	148.1	158.5	-65.4	0	0	0	0	119.2
125	E	34.8	Very low	35.2	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	76%	0.76	S	S	*	*			trans	-134.7	-176.1	-165.6	-61.5	91.1	73.7	0	0	113.2
126	G	36.4	Very low	34.7	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	76%	0.763	S	S	*	*			cis	160.2	-156.7	3	0	0	0	0	0	114.2
127	V	33.7	Very low	34.2	Very low	152 Å²	152	136 Å²	136	92%	0.921	77%	0.771	S	S	*	*			trans	86.7	134.1	156.5	179.4	0	0	0	0	123.4
128	A	35.4	Very low	33.7	Very low	85 Å²	85	135.4 Å²	135.4	70%	0.702	77%	0.771	S	S	*	*			trans	87.2	109.3	148.8	0	0	0	0	0	126.7
129	K	33.4	Very low	33	Very low	197 Å²	197	138.7 Å²	138.7	86%	0.857	77%	0.769	S	S	*	*				54.6	123.4	118.6	-73.4	-172.5	176.9	-178.5	0	125.6
130	V	29.9	Very low	32.4	Very low	130 Å²	130	138.2 Å²	138.2	79%	0.788	76%	0.76	S	S	*	*			trans	81.1	156.4	131.2	178.5	0	0	0	0	119.5
131	V	30.8	Very low	32	Very low	134 Å²	134	144 Å²	144	81%	0.812	77%	0.766	S	S	*	*			trans	99.4	138.9	174.7	-169.8	0	0	0	0	115.8
132	D	29	Very low	31.1	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	76%	0.76	S	S	*	*			trans	-87	-168.8	-176.5	-61.9	-89.2	0	0	0	114.4
133	E	29.6	Very low	30.7	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	76%	0.758	S	S	*	*			trans	77	107.5	159.7	-63.8	-159.5	130.6	0	0	120.5
134	H	31.7	Very low	30.5	Very low	152 Å²	152	136.6 Å²	136.6	70%	0.704	76%	0.756	S	S	*	*				48	133.6	121.5	-88.7	-67.2	0	0	0	122.6
135	N	27.4	Very low	30.5	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	75%	0.746	S	S	*	*			trans	57.1	126.2	143.3	-53.1	-12.3	0	0	0	116.9
136	A	29.2	Very low	30.4	Very low	86 Å²	86	130 Å²	130	71%	0.711	73%	0.726	S	S	*	*				-175.5	156.2	66.1	0	0	0	0	0	114.1
137	L	27.9	Very low	30.4	Very low	146 Å²	146	129.3 Å²	129.3	76%	0.764	71%	0.707	S	S	*	*			trans	49.7	103.1	139.6	-63.5	169.1	0	0	0	121.8
138	E	26.5	Very low	30.6	Very low	155 Å²	155	125.5 Å²	125.5	72%	0.724	69%	0.685	S	S	*	*				74.3	169	106.3	-138.3	171.3	-123.8	0	0	121.7
139	Y	28	Very low	30.4	Very low	189 Å²	189	127.8 Å²	127.8	74%	0.741	68%	0.679	S	S	*	*			trans	77.2	66.8	164	-88.5	-85.8	0	0	0	123.4
140	S	27.1	Very low	30.1	Very low	88 Å²	88	125.2 Å²	125.2	62%	0.615	67%	0.673	S	S	*	*				88.2	160.4	110.6	82.4	0	0	0	0	123.8
141	R	29.7	Very low	30	Very low	226 Å²	226	123.8 Å²	123.8	85%	0.853	66%	0.657	S	S	*	*			trans	86.4	87.9	152.4	-73.4	174.1	-178.8	179.5	2	122.5
142	S	26.1	Very low	29.8	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	65%	0.648	S	S	*	*				71	108.2	112.4	67	0	0	0	0	123.8
143	S	28.8	Very low	29.7	Very low	94 Å²	94	127.2 Å²	127.2	66%	0.657	64%	0.644	S	S	*	*				73.1	110.5	120.4	68.1	0	0	0	0	124.8
144	T	30.8	Very low	29.6	Very low	103 Å²	103	124.4 Å²	124.4	63%	0.632	63%	0.634	S	S	*	*			trans	67.4	163.6	130.7	64.6	0	0	0	0	120.2	P1133	T144-P1133 HydrophobicContact CG2-CG 3.37Å
145	P	35.2	Very low	29.4	Very low	86 Å²	86	120.9 Å²	120.9	56%	0.558	62%	0.623	S	S	*	*			cis	-130	-151.8	1.9	29.9	-4.6	0	0	0	114.1	T1134	P145-T1134 WeakPolarHBondContact CB-O 3.4Å
146	T	32.9	Very low	29.7	Very low	70 Å²	70	120 Å²	120	43%	0.429	62%	0.623	S	S	.	*			trans	84.6	97.3	151.9	-43.6	0	0	0	0	118.7	T1134 Y1135	T146-T1134 PolarHBondContact N-O 3.45Å; T146-T1134 VanDerWaalsContact N-O 3.09Å; T146-Y1135 WeakPolarHBondContact CA-O 3.48Å; T146-Y1135 WeakPolarHBondContact CB-O 3Å; T146-Y1135 PolarHBondContact OG1-O 2.73Å
147	D	35.3	Very low	29.6	Very low	55 Å²	55	119.3 Å²	119.3	29%	0.294	61%	0.605	S	S	.	*				61.9	150.1	56.9	-160.7	50.3	0	0	0	114.6	Y1135 H1136	D147-Y1135 VanDerWaalsContact CG-N 3.32Å; D147-Y1135 WeakPolarHBondContact OD2-CA 3.32Å; D147-Y1135 PolarHBondContact OD2-N 2.83Å; D147-H1136 VanDerWaalsContact CB-N 3.35Å; D147-H1136 IonicContact OD2-CD2 3.79Å; D147-H1136 PolarHBondContact OD2-N 2.63Å
148	P	37.4	Very low	29.9	Very low	72 Å²	72	116.2 Å²	116.2	47%	0.468	59%	0.587	S	S	.	*			cis	-127.3	173.2	-1	19.5	5.7	0	0	0	116.3
149	F	30.7	Very low	30.3	Very low	133 Å²	133	111 Å²	111	58%	0.583	57%	0.565	S	S	*	*			trans	-17.1	149.4	138.2	-44.9	-108.2	0	0	0	115	K151	F149-K151 HydrophobicContact CB-CD 4.5Å; F149-K151 HydrophobicContact CB-CG 4.26Å; F149-K151 HydrophobicContact CD1-CD 4.45Å; F149-K151 VanDerWaalsContact CD1-CE 3.46Å; F149-K151 HydrophobicContact CD1-CG 4.25Å
150	I	28.6	Very low	30.5	Very low	143 Å²	143	104.3 Å²	104.3	73%	0.733	55%	0.545	S	S	*	.				-162.8	114.4	83	-104.9	131.3	0	0	0	109.4
151	K	26.6	Very low	30.8	Very low	101 Å²	101	104.6 Å²	104.6	44%	0.439	54%	0.537	S	S	.	.				85.4	141.1	68.5	-93.4	-177.4	-155.6	137.5	0	111.6	F149	F149-K151 HydrophobicContact CB-CD 4.5Å; F149-K151 HydrophobicContact CB-CG 4.26Å; F149-K151 HydrophobicContact CD1-CD 4.45Å; F149-K151 VanDerWaalsContact CD1-CE 3.46Å; F149-K151 HydrophobicContact CD1-CG 4.25Å
152	R	26.7	Very low	31.6	Very low	168 Å²	168	98.9 Å²	98.9	63%	0.634	52%	0.52	S	S	*	.			trans	77.9	115.5	139.6	-75.3	-176.4	172.9	-179.5	0.9	115.3
153	R	27.4	Very low	32.3	Very low	186 Å²	186	99.1 Å²	99.1	70%	0.702	52%	0.521	S	S	*	.				99	166.6	74.8	-91.9	-179.9	173.3	-165.7	-4.5	108.7
154	L	28.6	Very low	32.8	Very low	118 Å²	118	100 Å²	100	62%	0.618	53%	0.525	S	S	*	.			cis	-146.8	-164	9.8	-132.8	159.4	0	0	0	109.5
155	T	27.5	Very low	33.4	Very low	78 Å²	78	102.3 Å²	102.3	48%	0.479	53%	0.531	S	S	.	.			trans	-6.3	140.6	152.7	48.4	0	0	0	0	116.9	Q157	T155-Q157 HydrophobicContact CG2-CB 4.09Å
156	T	33.3	Very low	33.3	Very low	124 Å²	124	103.2 Å²	103.2	76%	0.761	54%	0.54	S	S	*	.			cis	-142.9	139.5	47.9	32.1	0	0	0	0	112.2
157	Q	26.4	Very low	33.3	Very low	72 Å²	72	106 Å²	106	34%	0.336	56%	0.557	S	S	.	*			cis	69.2	122	12.6	-139.6	164.4	47.8	0	0	114.7	T155 I458 P459	T155-Q157 HydrophobicContact CG2-CB 4.09Å; Q157-I458 HydrophobicContact CG-CB 4.34Å; Q157-I458 HydrophobicContact CG-CG1 4.26Å; Q157-I458 HydrophobicContact CG-CG2 3.85Å; Q157-P459 HydrophobicContact CG-CG 4.43Å
158	E	35.1	Very low	33.2	Very low	81 Å²	81	107 Å²	107	38%	0.379	57%	0.573	S	S	.	*			trans	104.1	97.1	156.4	-53	-154.3	176.6	0	0	121.5	I458 V914	E158-I458 HydrophobicContact CB-CG2 4.34Å; E158-I458 HydrophobicContact CG-CG2 3.89Å; E158-V914 WeakPolarHBondContact O-CG1 3.22Å
159	V	34.7	Very low	33	Very low	44 Å²	44	109.8 Å²	109.8	27%	0.267	59%	0.589	S	S	.	*				86.9	155.4	110.7	158.5	0	0	0	0	117.1	I458 C461 S478 H479 V914	V159-I458 HydrophobicContact CG2-CG2 4.16Å; V159-C461 HydrophobicContact CG2-CB 4.41Å; V159-S478 CarbonylContact C-O 3.05Å; V159-H479 PolarHBondContact N-ND1 2.81Å; V159-V914 WeakPolarHBondContact O-CA 3.25Å; V159-V914 WeakPolarHBondContact O-CB 2.88Å; V159-V914 WeakPolarHBondContact O-CG1 3.2Å; V159-V914 PolarHBondContact O-N 3.4Å
160	P	32	Very low	33	Very low	49 Å²	49	111 Å²	111	32%	0.318	60%	0.596	S	S	.	*				-122	174.5	-96.7	13.5	15.1	0	0	0	116.6	S478 V914	P160-S478 VanDerWaalsContact CA-O 3.24Å; P160-S478 WeakPolarHBondContact CA-O 3.34Å; P160-V914 PolarHBondContact O-N 2.76Å
161	E	33.6	Very low	33.1	Very low	94 Å²	94	108.9 Å²	108.9	44%	0.439	59%	0.593	S	S	.	*			trans	39	170.9	150.7	-61.2	-176.2	-177.8	0	0	124.1	S478 C912	E161-S478 WeakPolarHBondContact CG-OG 3.07Å; E161-C912 CarbonylContact C-O 2.72Å
162	H	45.6	Very low	33.1	Very low	107 Å²	107	114 Å²	114	50%	0.495	61%	0.609	S	S	.	*				166	140.7	117.3	-82.6	-31.7	0	0	0	117.2	C912	H162-C912 PolarHBondContact N-O 3.38Å
163	S	41.6	Very low	33.2	Very low	103 Å²	103	113.2 Å²	113.2	72%	0.72	61%	0.611	S	S	*	*			trans	93.2	151.4	139.4	74.2	0	0	0	0	123.9
164	P	38.9	Very low	33.2	Very low	113 Å²	113	114.2 Å²	114.2	73%	0.734	62%	0.615	S	S	*	*			trans	-135	-145	-164.9	37.5	-12.3	0	0	0	114.1
165	I	42.9	Very low	33.2	Very low	151 Å²	151	114.7 Å²	114.7	77%	0.774	62%	0.618	S	S	*	*			trans	124	132.2	148	-68.3	154.9	0	0	0	118.7
166	S	34.4	Very low	33.3	Very low	105 Å²	105	117.4 Å²	117.4	73%	0.734	63%	0.634	S	S	*	*			trans	-177.3	161.4	147.9	-77.2	0	0	0	0	109
167	T	32.8	Very low	33.1	Very low	128 Å²	128	114.6 Å²	114.6	79%	0.785	63%	0.63	S	S	*	*			cis	-174.6	158.1	-31.8	38.4	0	0	0	0	107.5
168	A	33.1	Very low	33.8	Very low	76 Å²	76	117.1 Å²	117.1	63%	0.628	65%	0.653	S	S	*	*			cis	-175.6	165.9	-24.5	0	0	0	0	0	109.8
169	T	33.1	Very low	33.4	Very low	132 Å²	132	120.7 Å²	120.7	81%	0.81	67%	0.673	S	S	*	*			trans	67.2	155.8	164	57.1	0	0	0	0	119.2
170	H	31	Very low	33.1	Very low	158 Å²	158	127 Å²	127	73%	0.731	70%	0.697	S	S	*	*			cis	-154.7	163.2	6.5	-142.4	-80.6	0	0	0	113.9
171	C	29.8	Very low	33	Very low	98 Å²	98	128.5 Å²	128.5	66%	0.662	71%	0.709	S	S	*	*			trans	67.9	131.4	167.2	-72.5	0	0	0	0	119.2
172	R	26.5	Very low	32.8	Very low	208 Å²	208	132 Å²	132	79%	0.785	72%	0.723	S	S	*	*				81.4	142.2	50.5	-72	-167.9	-173.9	-164.1	6.5	113.2
173	F	28.7	Very low	32.2	Very low	153 Å²	153	129.4 Å²	129.4	67%	0.671	73%	0.725	S	S	*	*			cis	-120.4	157.8	8.7	-94.2	-107.4	0	0	0	111
174	R	26.7	Very low	31.7	Very low	207 Å²	207	127.6 Å²	127.6	78%	0.781	71%	0.711	S	S	*	*				48.8	132	88.5	-107.2	-168.4	-167.7	-177.1	5.3	113
175	D	28.7	Very low	31.1	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	71%	0.708	S	S	*	*			cis	-145.6	-169.1	36.1	-81.7	-50.7	0	0	0	111.9
176	T	30.9	Very low	30.3	Very low	135 Å²	135	127.7 Å²	127.7	83%	0.828	70%	0.696	S	S	*	*			cis	-149.3	169.6	7.1	-20.8	0	0	0	0	111.2
177	G	28.8	Very low	29.9	Very low	64 Å²	64	125.5 Å²	125.5	66%	0.66	68%	0.681	S	S	*	*			trans	-86.6	166.1	166.9	0	0	0	0	0	114
178	P	40.2	Very low	29.8	Very low	126 Å²	126	123.7 Å²	123.7	82%	0.818	67%	0.673	S	S	*	*			trans	-94.8	-162.2	-168.6	40.4	-39.2	0	0	0	114.4
179	L	27.8	Very low	29.5	Very low	155 Å²	155	122.3 Å²	122.3	81%	0.812	66%	0.656	S	S	*	*			trans	90.6	136.3	-167.8	-55.4	175.4	0	0	0	111.6
180	K	29	Very low	29.3	Very low	176 Å²	176	122 Å²	122	77%	0.765	64%	0.643	S	S	*	*			cis	-154.1	168.4	15.2	-126.1	159.8	-172.9	178.7	0	110.5
181	S	28.9	Very low	29.3	Very low	82 Å²	82	117.3 Å²	117.3	57%	0.573	63%	0.625	S	S	*	*			trans	10.7	143.6	151.6	62.2	0	0	0	0	120.5
182	F	29.8	Very low	29.3	Very low	167 Å²	167	117.5 Å²	117.5	73%	0.732	62%	0.616	S	S	*	*			cis	-138.1	171.1	27.6	-86.5	-92.6	0	0	0	112.5
183	G	32.2	Very low	29.5	Very low	52 Å²	52	112.1 Å²	112.1	54%	0.536	60%	0.603	S	S	.	*			trans	-109.8	171	152.1	0	0	0	0	0	109
184	P	32	Very low	29.5	Very low	65 Å²	65	111.8 Å²	111.8	42%	0.422	60%	0.602	S	S	.	*				-149.2	-170.7	59.8	35.3	-13	0	0	0	117.3	E1232 N1233	P184-E1232 WeakPolarHBondContact CD-OE2 3.45Å; P184-N1233 VanDerWaalsContact CD-OD1 3.31Å; P184-N1233 WeakPolarHBondContact CD-OD1 3.29Å; P184-N1233 PolarHBondContact O-OD1 3.23Å
185	F	25.4	Very low	29.6	Very low	156 Å²	156	107.8 Å²	107.8	68%	0.684	60%	0.595	S	S	*	*			trans	72.5	159.1	134.1	-99.3	-137.3	0	0	0	124.7	K1234	F185-K1234 WeakPolarHBondContact O-CD 3.16Å
186	Q	27.6	Very low	29.5	Very low	110 Å²	110	106.5 Å²	106.5	51%	0.514	59%	0.592	S	S	.	*			trans	58.9	61	162.1	-67.4	177.4	18.6	0	0	117.5	S188 S1235	Q186-S188 PolarHBondContact O-N 2.86Å; Q186-S1235 WeakPolarHBondContact O-CB 3.35Å; Q186-S1235 PolarHBondContact O-OG 3.33Å
187	S	25.6	Very low	29.3	Very low	60 Å²	60	106.3 Å²	106.3	42%	0.42	59%	0.586	S	S	.	*			trans	54.3	-122.6	151	66.3	0	0	0	0	113.7	N189 K1234	S187-N189 VanDerWaalsContact OG-CG 3.28Å; S187-N189 PolarHBondContact OG-N 2.74Å; S187-N189 PolarHBondContact OG-OD1 3.17Å; S187-K1234 WeakPolarHBondContact O-CD 3.44Å; S187-K1234 WeakPolarHBondContact O-CE 3.37Å; S187-K1234 PolarHBondContact O-NZ 2.79Å
188	S	29	Very low	29.1	Very low	89 Å²	89	113.5 Å²	113.5	62%	0.622	59%	0.593	S	S	*	*			cis	-59.6	151.9	-8.2	-46.7	0	0	0	0	112	Q186	Q186-S188 PolarHBondContact O-N 2.86Å
189	N	28.4	Very low	28.5	Very low	48 Å²	48	111.9 Å²	111.9	26%	0.257	58%	0.584	S	S	.	*			cis	72.9	87.6	40.2	-74.7	26.3	0	0	0	113	S187 H1237	S187-N189 VanDerWaalsContact OG-CG 3.28Å; S187-N189 PolarHBondContact OG-N 2.74Å; S187-N189 PolarHBondContact OG-OD1 3.17Å; N189-H1237 PolarHBondContact ND2-CD2 3.23Å
190	K	29.3	Very low	28.6	Very low	125 Å²	125	111.4 Å²	111.4	54%	0.543	58%	0.583	S	S	.	*				86.3	136.9	81.9	-84.9	-173.3	-160.1	179.7	0	107.9	H1237	K190-H1237 VanDerWaalsContact CD-CE1 3.48Å; K190-H1237 WeakPolarHBondContact CD-CE1 3.44Å; K190-H1237 PolarHBondContact NZ-NE2 3.26Å
191	T	29.8	Very low	28.8	Very low	59 Å²	59	112.1 Å²	112.1	36%	0.362	59%	0.586	S	S	.	*			cis	174.8	-173	28	15.5	0	0	0	0	108.9
192	H	30.5	Very low	29.2	Very low	102 Å²	102	113.2 Å²	113.2	47%	0.472	59%	0.591	S	S	.	*			cis	-127.2	153.8	-5.1	-101.8	-65.7	0	0	0	104.4	F194	H192-F194 HydrophobicContact CB-CD2 4.25Å; H192-F194 HydrophobicContact CB-CE2 3.83Å; H192-F194 AromaticContact CE1-CE2 3.98Å; H192-F194 AromaticContact CE1-CZ 3.58Å; H192-F194 AromaticContact CG-CE2 3.5Å; H192-F194 AromaticContact CG-CZ 3.93Å; H192-F194 AromaticContact ND1-CE2 3.4Å; H192-F194 WeakPolarHBondContact ND1-CE2 3.05Å; H192-F194 AromaticContact ND1-CZ 3.35Å; H192-F194 VanDerWaalsContact ND1-CZ 3.35Å; H192-F194 WeakPolarHBondContact ND1-CZ 3.28Å
193	D	29.8	Very low	29.1	Very low	96 Å²	96	111.4 Å²	111.4	51%	0.513	59%	0.589	S	S	.	*				52	148.3	70	-40.2	-1.6	0	0	0	110.7	L195	D193-L195 HydrophobicContact CB-CD1 3.87Å; D193-L195 HydrophobicContact CB-CG 4.1Å
194	F	29.5	Very low	28.9	Very low	146 Å²	146	115.5 Å²	115.5	64%	0.64	60%	0.598	S	S	*	*			cis	-126.3	139.2	27.6	-74.2	-101.2	0	0	0	110	H192	H192-F194 HydrophobicContact CB-CD2 4.25Å; H192-F194 HydrophobicContact CB-CE2 3.83Å; H192-F194 AromaticContact CE1-CE2 3.98Å; H192-F194 AromaticContact CE1-CZ 3.58Å; H192-F194 AromaticContact CG-CE2 3.5Å; H192-F194 AromaticContact CG-CZ 3.93Å; H192-F194 AromaticContact ND1-CE2 3.4Å; H192-F194 WeakPolarHBondContact ND1-CE2 3.05Å; H192-F194 AromaticContact ND1-CZ 3.35Å; H192-F194 VanDerWaalsContact ND1-CZ 3.35Å; H192-F194 WeakPolarHBondContact ND1-CZ 3.28Å
195	L	28.7	Very low	28.7	Very low	122 Å²	122	120.3 Å²	120.3	64%	0.639	62%	0.615	S	S	*	*				58.7	159.8	58.4	-61.4	174.2	0	0	0	112	D193	D193-L195 HydrophobicContact CB-CD1 3.87Å; D193-L195 HydrophobicContact CB-CG 4.1Å
196	T	26.5	Very low	29.1	Very low	101 Å²	101	119.2 Å²	119.2	62%	0.62	62%	0.621	S	S	*	*			trans	55.3	105.5	149.2	41.7	0	0	0	0	116
197	L	26.6	Very low	29.2	Very low	132 Å²	132	117.9 Å²	117.9	69%	0.691	63%	0.628	S	S	*	*				-168.8	140.4	58.3	-90.1	134.2	0	0	0	108.5
198	R	24.7	Very low	29.5	Very low	215 Å²	215	118.8 Å²	118.8	81%	0.811	64%	0.635	S	S	*	*				64.1	135.3	83.2	-167.8	-166.7	-172.7	173.7	5.9	113.1
199	S	26.4	Very low	29.8	Very low	92 Å²	92	123.7 Å²	123.7	64%	0.643	65%	0.645	S	S	*	*			trans	78	141.9	159.9	72.4	0	0	0	0	119.5
200	N	30.6	Very low	30.3	Very low	145 Å²	145	125.4 Å²	125.4	78%	0.775	67%	0.666	S	S	*	*			trans	80.8	92.8	149.5	-56.5	-12.8	0	0	0	119.8
201	F	33.8	Very low	30.7	Very low	191 Å²	191	124.2 Å²	124.2	84%	0.838	67%	0.671	S	S	*	*				-6.1	145.6	109.5	-75.3	-81.2	0	0	0	115.6
202	P	36.2	Very low	30.7	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	69%	0.691	S	S	*	*				-147.6	177.8	52.7	41.8	-22.7	0	0	0	117.7
203	N	28	Very low	30.7	Very low	129 Å²	129	128.8 Å²	128.8	69%	0.69	70%	0.7	S	S	*	*			trans	11.7	143.6	132.6	-41.9	-10	0	0	0	116.7
204	L	29.4	Very low	30.7	Very low	137 Å²	137	131.7 Å²	131.7	72%	0.717	71%	0.711	S	S	*	*			cis	-136.9	157.7	48	-99.2	80.7	0	0	0	111.3
205	E	27.8	Very low	30.7	Very low	166 Å²	166	128.4 Å²	128.4	78%	0.776	71%	0.71	S	S	*	*				44.5	136.6	88.1	-41.7	-175.8	121.4	0	0	114.1
206	V	32.9	Very low	30.9	Very low	133 Å²	133	127.8 Å²	127.8	81%	0.806	72%	0.716	S	S	*	*			cis	-134.1	165.9	27.1	179.7	0	0	0	0	111.7
207	A	30.7	Very low	31.1	Very low	82 Å²	82	128.7 Å²	128.7	68%	0.678	72%	0.721	S	S	*	*			trans	-55.7	-176.6	165.3	0	0	0	0	0	112.9
208	S	30	Very low	31.3	Very low	80 Å²	80	129 Å²	129	56%	0.559	72%	0.721	S	S	*	*			cis	-175.1	177.2	34.8	-153.9	0	0	0	0	115.5
209	F	35.3	Very low	31.6	Very low	192 Å²	192	127.2 Å²	127.2	84%	0.842	72%	0.719	S	S	*	*			trans	71	90.5	153.2	-55.7	-50	0	0	0	121
210	A	39.1	Very low	31.9	Very low	83 Å²	83	127.1 Å²	127.1	69%	0.686	72%	0.719	S	S	*	*				-70.9	-171.6	118.9	0	0	0	0	0	109.2
211	P	37.8	Very low	32.1	Very low	101 Å²	101	126.1 Å²	126.1	66%	0.656	72%	0.718	S	S	*	*			cis	-148.8	-159.4	14.4	35.7	-8.8	0	0	0	114.1
212	L	29.9	Very low	32.3	Very low	150 Å²	150	122.2 Å²	122.2	79%	0.785	71%	0.712	S	S	*	*			trans	63.8	167.5	159	-58.1	172.7	0	0	0	114.7
213	T	30.3	Very low	32	Very low	106 Å²	106	122.9 Å²	122.9	65%	0.65	71%	0.714	S	S	*	*			cis	-145.1	-174	-20.7	12.5	0	0	0	0	107.1
214	E	30.2	Very low	32	Very low	158 Å²	158	122.5 Å²	122.5	74%	0.738	72%	0.716	S	S	*	*			cis	-147.9	159.2	18.9	-163	47.9	-87.6	0	0	113.2
215	A	30.5	Very low	32.4	Very low	77 Å²	77	124 Å²	124	64%	0.636	72%	0.722	S	S	*	*			trans	-87.1	143.6	174	0	0	0	0	0	113.3
216	S	33.1	Very low	33.5	Very low	108 Å²	108	121.3 Å²	121.3	76%	0.755	72%	0.718	S	S	*	*			trans	-162.4	125	156.4	-88.2	0	0	0	0	110.2
217	V	30.2	Very low	33.9	Very low	121 Å²	121	120.1 Å²	120.1	73%	0.733	71%	0.713	S	S	*	*				74.8	119.5	69.9	160.6	0	0	0	0	109.9
218	M	31.1	Very low	34	Very low	138 Å²	138	122 Å²	122	68%	0.68	72%	0.716	S	S	*	*			cis	-166.2	165.9	4.3	-100.5	-63.1	-165.6	0	0	111
219	F	30.9	Very low	34	Very low	177 Å²	177	125.1 Å²	125.1	78%	0.776	73%	0.727	S	S	*	*			trans	66.3	163.8	146.9	-75.7	-158.9	0	0	0	119
220	S	33	Very low	34.1	Very low	91 Å²	91	120.8 Å²	120.8	64%	0.636	72%	0.72	S	S	*	*			cis	-163.3	155.5	-30.4	-94.6	0	0	0	0	112.5
221	T	33.1	Very low	34.1	Very low	124 Å²	124	123.7 Å²	123.7	76%	0.761	72%	0.724	S	S	*	*			trans	-40.3	172.3	155.6	47.5	0	0	0	0	117.3
222	P	39.3	Very low	34	Very low	109 Å²	109	125.4 Å²	125.4	71%	0.708	73%	0.727	S	S	*	*			cis	-145.9	-162.3	-23.8	35.8	-12.5	0	0	0	115.1
223	T	29	Very low	34.4	Very low	119 Å²	119	125.1 Å²	125.1	73%	0.73	72%	0.722	S	S	*	*			trans	83.6	108.4	138.7	-66.8	0	0	0	0	122.8
224	V	29	Very low	34.7	Very low	120 Å²	120	129.4 Å²	129.4	73%	0.727	73%	0.726	S	S	*	*			trans	61.1	101.4	132.3	-175.2	0	0	0	0	122.1
225	M	36.3	Very low	35	Very low	169 Å²	169	127.3 Å²	127.3	83%	0.833	72%	0.716	S	S	*	*			trans	63.6	-168.3	139.7	-54.2	-165.5	79.2	0	0	119.5
226	P	52.3	Low	35.3	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	72%	0.723	S	S	*	*				-118.8	-157.4	-100.1	42.6	-24.5	0	0	0	111.4
227	P	40.9	Very low	35.5	Very low	108 Å²	108	128.4 Å²	128.4	70%	0.701	71%	0.714	S	S	*	*			cis	-143.5	177.3	1.3	45	-25.1	0	0	0	118.7
228	V	31.7	Very low	35.6	Very low	122 Å²	122	131.2 Å²	131.2	74%	0.739	72%	0.719	S	S	*	*			trans	31	146.6	151.6	-55.9	0	0	0	0	126.9
229	D	31.9	Very low	36	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	73%	0.727	S	S	*	*			trans	96.1	149.8	130.3	-88.3	-36.6	0	0	0	125
230	S	37.4	Very low	36.2	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	72%	0.723	S	S	*	*			trans	77.1	144	163.4	-63.6	0	0	0	0	119
231	L	39.2	Very low	36.6	Very low	145 Å²	145	128.6 Å²	128.6	76%	0.759	72%	0.718	S	S	*	*			cis	-154.5	176.6	-0.8	-122.2	169	0	0	0	112.7
232	N	34	Very low	36.8	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	71%	0.708	S	S	*	*			trans	-91.1	172.2	-168.6	-58.1	-65.8	0	0	0	115.9
233	H	38.7	Very low	36.6	Very low	144 Å²	144	129.3 Å²	129.3	67%	0.667	71%	0.707	S	S	*	*				168.3	129.9	116.3	-94.2	-94.9	0	0	0	109.2
234	R	36.9	Very low	37.1	Very low	196 Å²	196	128.1 Å²	128.1	74%	0.74	70%	0.695	S	S	*	*				68.3	147.1	76.9	-94.2	-178.3	157.7	-144.5	-8.9	113.3
235	E	37.3	Very low	37.6	Very low	114 Å²	114	128 Å²	128	53%	0.533	69%	0.685	S	S	.	*			cis	-166.7	147.3	25.7	-139.1	150.5	169	0	0	113.7
236	T	36.3	Very low	37.7	Very low	126 Å²	126	125.5 Å²	125.5	77%	0.773	67%	0.671	S	S	*	*			trans	55.8	162	142.3	45.1	0	0	0	0	123.1
237	S	36.1	Very low	37.1	Very low	82 Å²	82	122.8 Å²	122.8	57%	0.573	65%	0.653	S	S	*	*			cis	-172	144.6	-5.2	39.8	0	0	0	0	113
238	E	34.1	Very low	36.9	Very low	180 Å²	180	123.5 Å²	123.5	84%	0.841	65%	0.647	S	S	*	*			trans	56	170.4	140.6	-52.1	164.7	148.3	0	0	119.6
239	V	37.9	Very low	37	Very low	141 Å²	141	121.3 Å²	121.3	86%	0.855	63%	0.627	S	S	*	*			cis	-142.5	167.6	6.8	-164	0	0	0	0	109.4
240	D	35.7	Very low	37.1	Very low	129 Å²	129	120.4 Å²	120.4	69%	0.69	62%	0.62	S	S	*	*			trans	-110.6	-127.5	-176.5	-160.6	17.8	0	0	0	114.7
241	P	41.4	Very low	36.9	Very low	81 Å²	81	119.6 Å²	119.6	53%	0.526	61%	0.614	S	S	.	*				-121.2	-171.2	-99.5	29.1	-10.1	0	0	0	118.5
242	Q	36.6	Very low	37.2	Very low	116 Å²	116	115.8 Å²	115.8	54%	0.542	60%	0.598	S	S	.	*			trans	76.9	129.1	150.5	-52.9	-142	-29	0	0	123.4	I1486 S1487	Q242-I1486 WeakPolarHBondContact CB-O 3.43Å; Q242-I1486 PolarHBondContact OE1-O 3.27Å; Q242-S1487 WeakPolarHBondContact CA-OG 3.43Å; Q242-S1487 VanDerWaalsContact CG-N 3.29Å; Q242-S1487 WeakPolarHBondContact CG-O 3.4Å; Q242-S1487 PolarHBondContact NE2-O 3.08Å
243	L	36.4	Very low	37.3	Very low	131 Å²	131	116.5 Å²	116.5	69%	0.686	60%	0.602	S	S	*	*			trans	-173.5	133.7	138.2	-139.6	80.3	0	0	0	115	I1486 S1487	L243-I1486 VanDerWaalsContact C-CG2 3.42Å; L243-I1486 WeakPolarHBondContact O-CG2 3.34Å; L243-S1487 PolarHBondContact N-OG 3.38Å
244	L	39.4	Very low	37.2	Very low	95 Å²	95	114.2 Å²	114.2	50%	0.497	60%	0.603	S	S	.	*			trans	32.7	154.4	152	-88.1	59.6	0	0	0	121.7	F1485	L244-F1485 HydrophobicContact CD1-CB 3.86Å; L244-F1485 HydrophobicContact CD1-CD2 3.69Å; L244-F1485 HydrophobicContact CD1-CG 4.09Å; L244-F1485 HydrophobicContact CD2-CD2 4.47Å; L244-F1485 HydrophobicContact CG-CB 4.36Å; L244-F1485 HydrophobicContact CG-CD2 3.57Å; L244-F1485 HydrophobicContact CG-CE2 4.15Å; L244-F1485 HydrophobicContact CG-CG 4.11Å
245	K	39.7	Very low	37.2	Very low	116 Å²	116	110.5 Å²	110.5	50%	0.504	61%	0.606	S	S	.	*			cis	-150	-179.3	7.4	-127.8	169.2	178.3	-74.6	0	107.5	F1485 I1486	K245-F1485 HydrophobicContact CB-CE1 4.43Å; K245-F1485 HydrophobicContact CB-CE2 4.49Å; K245-F1485 HydrophobicContact CB-CZ 4.21Å; K245-F1485 HydrophobicContact CG-CD2 4.21Å; K245-F1485 HydrophobicContact CG-CE1 4.14Å; K245-F1485 HydrophobicContact CG-CE2 3.47Å; K245-F1485 VanDerWaalsContact CG-CE2 3.47Å; K245-F1485 HydrophobicContact CG-CZ 3.45Å; K245-F1485 VanDerWaalsContact CG-CZ 3.45Å; K245-I1486 VanDerWaalsContact C-CD1 3.5Å; K245-I1486 VanDerWaalsContact N-CD1 3.31Å; K245-I1486 WeakPolarHBondContact O-CD1 3.41Å
246	E	38.4	Very low	37.7	Very low	117 Å²	117	110.6 Å²	110.6	55%	0.547	62%	0.617	S	S	.	*			cis	-147.7	179.7	16.8	-168.7	56.1	-68.8	0	0	111.3	F1485	E246-F1485 VanDerWaalsContact CA-CZ 3.5Å
247	T	38.5	Very low	37.7	Very low	53 Å²	53	111.7 Å²	111.7	33%	0.325	62%	0.623	S	S	.	*			trans	-104.9	158.4	178.4	56.3	0	0	0	0	113.8	K249 H1484 F1485	T247-K249 HydrophobicContact CG2-CD 4.18Å; T247-H1484 VanDerWaalsContact CG2-CE1 3.41Å; T247-H1484 WeakPolarHBondContact CG2-CE1 3.41Å; T247-H1484 WeakPolarHBondContact CG2-ND1 3.39Å; T247-F1485 HydrophobicContact CG2-CE1 4.29Å; T247-F1485 HydrophobicContact CG2-CZ 4.15Å
248	E	37.1	Very low	37.6	Very low	123 Å²	123	113.2 Å²	113.2	58%	0.575	63%	0.633	S	S	*	*				-147.9	-178.8	65.5	-96.1	-53.6	122.7	0	0	118.4	Q1481	E248-Q1481 PolarHBondContact OE2-NE2 2.96Å; E248-Q1481 PolarHBondContact OE2-OE1 2.87Å; E248-Q1481 VanDerWaalsContact OE2-OE1 3.08Å
249	K	34.5	Very low	37.7	Very low	76 Å²	76	116.8 Å²	116.8	33%	0.33	64%	0.638	S	S	.	*			trans	-137.7	-153	-159.8	-50.1	91.9	70.7	-139.2	0	115	T247 Q1481 N1482	T247-K249 HydrophobicContact CG2-CD 4.18Å; K249-Q1481 HydrophobicContact CB-CB 4.47Å; K249-Q1481 HydrophobicContact CB-CG 3.64Å; K249-Q1481 PolarHBondContact O-NE2 3.42Å; K249-N1482 PolarHBondContact NZ-OD1 3.33Å
250	M	32.9	Very low	37.9	Very low	125 Å²	125	121.5 Å²	121.5	62%	0.616	64%	0.641	S	S	*	*			trans	85.6	139.7	-177.9	-91.9	154.8	-163.5	0	0	118	N1479 P1480 Q1481	M250-N1479 WeakPolarHBondContact CG-O 3.14Å; M250-P1480 HydrophobicContact CE-CB 3.47Å; M250-P1480 VanDerWaalsContact CE-CB 3.47Å; M250-P1480 HydrophobicContact CE-CG 4.4Å; M250-P1480 HydrophobicContact CG-CB 3.99Å; M250-Q1481 HydrophobicContact CE-CG 4.25Å; M250-Q1481 HydrophobicContact CG-CG 3.85Å; M250-Q1481 VanDerWaalsContact CG-NE2 3.25Å; M250-Q1481 PolarHBondContact SD-NE2 2.87Å; M250-Q1481 VanDerWaalsContact SD-NE2 3.38Å
251	S	33.2	Very low	38	Very low	84 Å²	84	121.6 Å²	121.6	59%	0.587	65%	0.649	S	S	*	*			trans	-158	-103.1	169.5	-179	0	0	0	0	118.4	P1478	S251-P1478 WeakPolarHBondContact O-CB 3.39Å; S251-P1478 WeakPolarHBondContact O-CG 3.18Å
252	P	46.7	Very low	38	Very low	66 Å²	66	121.3 Å²	121.3	43%	0.429	66%	0.66	S	S	.	*			trans	-130.4	165	-135.3	38.3	-19.9	0	0	0	119.8	P1478	P252-P1478 VanDerWaalsContact C-CB 3.48Å; P252-P1478 WeakPolarHBondContact O-CB 3.26Å
253	N	36	Very low	38	Very low	152 Å²	152	123.7 Å²	123.7	81%	0.813	68%	0.676	S	S	*	*			trans	159	145.4	147.7	-86	-14.7	0	0	0	111.3
254	S	36.6	Very low	38.3	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	68%	0.684	S	S	*	*			cis	-171.4	144.4	-13.9	53	0	0	0	0	114.1
255	S	36.6	Very low	38.3	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	70%	0.703	S	S	*	*			trans	87	154.3	148.1	-65.8	0	0	0	0	124
256	P	47.9	Very low	38.3	Very low	117 Å²	117	127 Å²	127	76%	0.76	72%	0.719	S	S	*	*			trans	-142.8	179.3	-147	44.7	-25.5	0	0	0	119.3
257	V	35.7	Very low	38.4	Very low	148 Å²	148	127.6 Å²	127.6	90%	0.897	74%	0.736	S	S	*	*			trans	-142	154.1	159.6	179.6	0	0	0	0	112.3
258	C	33.4	Very low	38.4	Very low	115 Å²	115	127.9 Å²	127.9	78%	0.777	75%	0.75	S	S	*	*			trans	-84.8	164.3	-166.6	-45.8	0	0	0	0	118
259	R	36.4	Very low	38.8	Very low	255 Å²	255	128.5 Å²	128.5	96%	0.962	76%	0.764	S	S	*	*			trans	-168.5	155.5	131.1	-103.3	163.9	-154.6	-136.6	6.5	114
260	R	42.6	Very low	39	Very low	239 Å²	239	130.4 Å²	130.4	90%	0.902	79%	0.787	S	S	*	*			trans	-100.1	169.8	167.4	-48.4	177.7	176.1	-178.9	-2.2	109.5
261	P	38.7	Very low	39.6	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	79%	0.791	S	S	*	*				-160.5	-171.7	77.3	42.9	-21	0	0	0	117.4
262	G	40.5	Very low	40.3	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	80%	0.803	S	S	*	*			trans	93.7	123.1	163.1	0	0	0	0	0	115.4
263	L	36.7	Very low	40.6	Very low	166 Å²	166	133.2 Å²	133.2	87%	0.869	82%	0.818	S	S	*	*			cis	90.2	89.6	14.4	-162.1	75.8	0	0	0	117.5
264	S	43.2	Very low	42	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	81%	0.807	S	S	*	*			trans	-147.7	153.1	147.9	60.9	0	0	0	0	109.7
265	K	39.5	Very low	44.2	Very low	207 Å²	207	127.2 Å²	127.2	90%	0.9	80%	0.795	S	S	*	*			trans	-114	140.5	-178.2	-72.5	-179.6	178.6	176.6	0	110.8
266	G	39.6	Very low	46.7	Very low	81 Å²	81	124.5 Å²	124.5	84%	0.835	77%	0.769	S	S	*	*			trans	-137.9	127.2	159.8	0	0	0	0	0	108.8
267	S	40.1	Very low	48.8	Very low	129 Å²	129	122.8 Å²	122.8	90%	0.902	75%	0.751	S	S	*	*			trans	-103.4	112.1	-168.9	52.1	0	0	0	0	113.1
268	G	38.7	Very low	51.6	Low	60 Å²	60	115.8 Å²	115.8	62%	0.619	71%	0.709	S	S	*	*			trans	-109	168.9	158.6	0	0	0	0	0	110.7	S270	G268-S270 PolarHBondContact O-N 3.06Å
269	P	45	Very low	54.1	Low	135 Å²	135	111.6 Å²	111.6	88%	0.877	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60.1	125.3	-172.4	24.2	-33.8	0	0	0	111.7	S271	P269-S271 PolarHBondContact O-N 2.89Å
270	S	39.1	Very low	56.5	Low	116 Å²	116	103.6 Å²	103.6	81%	0.811	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-66.3	117.5	-178.3	54.6	0	0	0	0	111.1	G268	G268-S270 PolarHBondContact O-N 3.06Å
271	S	44.7	Very low	58.8	Low	99 Å²	99	94.8 Å²	94.8	69%	0.692	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-53.2	149.8	157.6	47.6	0	0	0	0	110.2	P269 S273	P269-S271 PolarHBondContact O-N 2.89Å; S271-S273 PolarHBondContact O-N 2.89Å
272	P	48.9	Very low	61.2	Low	129 Å²	129	90.7 Å²	90.7	84%	0.838	61%	0.613	S	S	*	*			trans	-65.1	97.5	177.1	26.2	-33.2	0	0	0	109.5	A274	P272-A274 PolarHBondContact O-N 3.25Å
273	S	52.6	Low	63.4	Low	106 Å²	106	91.6 Å²	91.6	74%	0.741	60%	0.596	S	S	*	*			trans	-49.1	134.5	-174.3	-170.5	0	0	0	0	111.9	S271 A275	S271-S273 PolarHBondContact O-N 2.89Å; S273-A275 PolarHBondContact O-N 3.44Å; S273-A275 VanDerWaalsContact O-N 3.1Å
274	A	66.1	Low	66	Low	72 Å²	72	90.6 Å²	90.6	60%	0.595	59%	0.587	S	S	*	*			trans	-40.3	107.9	-158.8	0	0	0	0	0	114.2	P272 H276	P272-A274 PolarHBondContact O-N 3.25Å; A274-H276 PolarHBondContact O-CD2 2.94Å; A274-H276 PolarHBondContact O-N 2.75Å; A274-H276 PolarHBondContact O-NE2 3.09Å
275	A	82.9	Confident	68.3	Low	50 Å²	50	87.6 Å²	87.6	41%	0.413	56%	0.557	S	S	.	*			trans	-70.9	121.6	178	0	0	0	0	0	110.5	S273 H277 Q284	S273-A275 PolarHBondContact O-N 3.44Å; S273-A275 VanDerWaalsContact O-N 3.1Å; A275-H277 PolarHBondContact O-N 2.77Å; A275-Q284 HydrophobicContact CB-CB 4.43Å
276	H	89.3	Confident	70.6	Confident	60 Å²	60	88.2 Å²	88.2	28%	0.278	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.4	108.3	-177.6	-56.1	-76.6	0	0	0	110.1	A274 Q284 Y285 V288 L291	A274-H276 PolarHBondContact O-CD2 2.94Å; A274-H276 PolarHBondContact O-N 2.75Å; A274-H276 PolarHBondContact O-NE2 3.09Å; H276-Q284 CarbonylContact O-C 3.59Å; H276-Y285 PolarHBondContact N-O 3.23Å; H276-Y285 PolarHBondContact O-N 3.13Å; H276-V288 PolarHBondContact CD2-N 3.39Å; H276-V288 WeakPolarHBondContact CE1-CG2 3.4Å; H276-V288 VanDerWaalsContact NE2-CG2 3.32Å; H276-V288 WeakPolarHBondContact NE2-CG2 2.91Å; H276-V288 PolarHBondContact NE2-N 3.35Å; H276-L291 HydrophobicContact CB-CB 3.92Å; H276-L291 HydrophobicContact CB-CD2 3.74Å; H276-L291 HydrophobicContact CB-CG 4.42Å
277	H	91.4	Very high	72.9	Confident	82 Å²	82	90.2 Å²	90.2	38%	0.38	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	158.2	177.9	55.7	-102.9	0	0	0	112.4	A275 K283 Q284 L291 C1506	A275-H277 PolarHBondContact O-N 2.77Å; H277-K283 CarbonylContact C-O 3.44Å; H277-K283 WeakPolarHBondContact CA-O 3.35Å; H277-Q284 HydrophobicContact CB-CG 4.22Å; H277-L291 WeakPolarHBondContact O-CD1 3.48Å; H277-L291 VanDerWaalsContact O-CD2 3.3Å; H277-L291 WeakPolarHBondContact O-CD2 3.08Å; H277-C1506 VanDerWaalsContact CD2-SG 3.56Å
278	C	93.9	Very high	75.3	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	52%	0.517	C	S	.	.			trans	-99.4	120.4	169.4	178.6	0	0	0	0	111.3	L280 C281 G282 K283 L291 H294 M295	C278-L280 PolarHBondContact O-N 3.21Å; C278-L280 VanDerWaalsContact O-N 3.09Å; C278-L280 PolarHBondContact SG-N 3.44Å; C278-C281 PolarHBondContact O-N 3.29Å; C278-G282 WeakPolarHBondContact O-CA 3.06Å; C278-G282 PolarHBondContact O-N 2.94Å; C278-K283 PolarHBondContact N-O 2.64Å; C278-L291 HydrophobicContact CB-CD1 3.88Å; C278-H294 VanDerWaalsContact CB-CD2 3.46Å; C278-H294 WeakPolarHBondContact CB-CD2 2.98Å; C278-H294 WeakPolarHBondContact CB-NE2 3.36Å; C278-H294 PolarHBondContact SG-NE2 3.3Å; C278-M295 HydrophobicContact CB-SD 4.4Å; C278-M295 PolarHBondContact SG-SD 2.98Å
279	S	86.8	Confident	77.8	Confident	28 Å²	28	87.1 Å²	87.1	20%	0.196	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.1	173.3	40.9	0	0	0	0	116.4	L1505	S279-L1505 VanDerWaalsContact CB-CA 3.44Å; S279-L1505 VanDerWaalsContact CB-N 3.28Å
280	L	86.9	Confident	79.9	Confident	86 Å²	86	82.9 Å²	82.9	45%	0.45	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-3.8	-175	-58.9	175.2	0	0	0	113	C278 M295 H298 P1504	C278-L280 PolarHBondContact O-N 3.21Å; C278-L280 VanDerWaalsContact O-N 3.09Å; C278-L280 PolarHBondContact SG-N 3.44Å; L280-M295 HydrophobicContact CD1-CE 3.87Å; L280-M295 HydrophobicContact CG-CE 4.45Å; L280-H298 VanDerWaalsContact CB-CE1 3.46Å; L280-H298 WeakPolarHBondContact CB-CE1 3.36Å; L280-H298 VanDerWaalsContact CB-ND1 3.33Å; L280-H298 WeakPolarHBondContact CB-ND1 3.47Å; L280-H298 HydrophobicContact CD1-CB 3.59Å; L280-H298 PolarHBondContact O-CE1 3.04Å; L280-P1504 HydrophobicContact CD2-CB 3.79Å; L280-P1504 HydrophobicContact CD2-CG 4.47Å; L280-P1504 HydrophobicContact CG-CB 4.4Å
281	C	90	Very high	82.4	Confident	54 Å²	54	79 Å²	79	37%	0.365	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163.9	19.4	169.7	72.8	0	0	0	0	116.1	C278 K283 H294 H298	C278-C281 PolarHBondContact O-N 3.29Å; C281-K283 PolarHBondContact O-N 2.83Å; C281-K283 VanDerWaalsContact SG-CD 3.58Å; C281-K283 VanDerWaalsContact SG-CE 3.51Å; C281-K283 VanDerWaalsContact SG-CG 3.53Å; C281-H294 PolarHBondContact SG-CE1 3.31Å; C281-H294 PolarHBondContact SG-NE2 3.43Å; C281-H298 PolarHBondContact SG-NE2 2.89Å
282	G	88.3	Confident	84.4	Confident	47 Å²	47	81.6 Å²	81.6	49%	0.485	45%	0.449	S	S	.	.			trans	67.5	1.8	175.4	0	0	0	0	0	117.2	C278 Q284	C278-G282 WeakPolarHBondContact O-CA 3.06Å; C278-G282 PolarHBondContact O-N 2.94Å; G282-Q284 PolarHBondContact O-N 3.31Å
283	K	88.3	Confident	86.2	Confident	93 Å²	93	79.6 Å²	79.6	40%	0.404	43%	0.431	S	S	.	.			trans	-74.3	125.6	-173	-67.7	-178.8	-158.7	-44.8	0	111.6	H277 C278 C281 Y285	H277-K283 CarbonylContact C-O 3.44Å; H277-K283 WeakPolarHBondContact CA-O 3.35Å; C278-K283 PolarHBondContact N-O 2.64Å; C281-K283 PolarHBondContact O-N 2.83Å; C281-K283 VanDerWaalsContact SG-CD 3.58Å; C281-K283 VanDerWaalsContact SG-CE 3.51Å; C281-K283 VanDerWaalsContact SG-CG 3.53Å; K283-Y285 HydrophobicContact CB-CE2 3.68Å; K283-Y285 WeakPolarHBondContact O-CD2 3.36Å; K283-Y285 WeakPolarHBondContact O-CE2 3.04Å
284	Q	89.8	Confident	87.8	Confident	145 Å²	145	75.3 Å²	75.3	68%	0.678	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	144.5	180	-65.9	-177.9	-3.7	0	0	112.8	A275 H276 H277 G282	A275-Q284 HydrophobicContact CB-CB 4.43Å; H276-Q284 CarbonylContact O-C 3.59Å; H277-Q284 HydrophobicContact CB-CG 4.22Å; G282-Q284 PolarHBondContact O-N 3.31Å
285	Y	91.9	Very high	88.8	Confident	60 Å²	60	74.1 Å²	74.1	24%	0.235	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.4	-176.7	-66.7	-78.9	0	0	0	112.4	H276 K283 H287 L291 H294	H276-Y285 PolarHBondContact N-O 3.23Å; H276-Y285 PolarHBondContact O-N 3.13Å; K283-Y285 HydrophobicContact CB-CE2 3.68Å; K283-Y285 WeakPolarHBondContact O-CD2 3.36Å; K283-Y285 WeakPolarHBondContact O-CE2 3.04Å; Y285-H287 PolarHBondContact O-N 3.39Å; Y285-H287 VanDerWaalsContact O-N 3.1Å; Y285-L291 HydrophobicContact CD2-CB 4.22Å; Y285-L291 HydrophobicContact CD2-CD1 4.07Å; Y285-H294 HydrophobicContact CD2-CB 4.44Å; Y285-H294 HydrophobicContact CE1-CB 4.25Å; Y285-H294 HydrophobicContact CE2-CB 3.68Å; Y285-H294 AromaticContact CE2-CD2 3.34Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.49Å; Y285-H294 AromaticContact CE2-CG 3.49Å; Y285-H294 VanDerWaalsContact CE2-CG 3.49Å; Y285-H294 AromaticContact CZ-CD2 3.88Å; Y285-H294 AromaticContact CZ-CG 3.55Å; Y285-H294 VanDerWaalsContact OH-CG 3.25Å; Y285-H294 PolarHBondContact OH-ND1 3.14Å
286	R	87.9	Confident	88.9	Confident	221 Å²	221	78.7 Å²	78.7	83%	0.834	39%	0.388	S	S	*	.	S	Bend	trans	-65.1	-10.3	179.9	-68.9	-178.2	177.1	163.2	-1	115.5
287	H	88.9	Confident	88.4	Confident	122 Å²	122	81.1 Å²	81.1	57%	0.565	40%	0.398	S	S	*	.	S	Bend	trans	-147.8	144.4	-177.9	-53.4	-64.7	0	0	0	112	Y285 A289 S290 L291	Y285-H287 PolarHBondContact O-N 3.39Å; Y285-H287 VanDerWaalsContact O-N 3.1Å; H287-A289 PolarHBondContact O-N 3.27Å; H287-S290 WeakPolarHBondContact O-CB 3.33Å; H287-S290 PolarHBondContact O-N 3.42Å; H287-L291 PolarHBondContact O-N 3.09Å; H287-L291 VanDerWaalsContact O-N 3.09Å
288	V	90.7	Very high	88	Confident	68 Å²	68	80.1 Å²	80.1	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-52.2	-38.6	172.4	-176.4	0	0	0	0	111.8	H276 S290 L291 R292	H276-V288 PolarHBondContact CD2-N 3.39Å; H276-V288 WeakPolarHBondContact CE1-CG2 3.4Å; H276-V288 VanDerWaalsContact NE2-CG2 3.32Å; H276-V288 WeakPolarHBondContact NE2-CG2 2.91Å; H276-V288 PolarHBondContact NE2-N 3.35Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.24Å; V288-L291 PolarHBondContact O-N 3.32Å; V288-R292 VanDerWaalsContact O-CB 3.3Å; V288-R292 WeakPolarHBondContact O-CB 3.28Å; V288-R292 PolarHBondContact O-N 2.81Å
289	A	90.1	Very high	86.9	Confident	57 Å²	57	86.1 Å²	86.1	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-38.3	178.2	0	0	0	0	0	112.5	H287 R292 N293	H287-A289 PolarHBondContact O-N 3.27Å; A289-R292 PolarHBondContact O-N 3.29Å; A289-N293 WeakPolarHBondContact O-CB 2.99Å; A289-N293 PolarHBondContact O-N 2.92Å; A289-N293 PolarHBondContact O-ND2 3.05Å
290	S	89.4	Confident	85.7	Confident	46 Å²	46	86.7 Å²	86.7	32%	0.322	43%	0.434	S	S	.	.	H	α-helix	trans	-72.1	-41.1	176.9	-60.8	0	0	0	0	111.7	H287 V288 N293 H294	H287-S290 WeakPolarHBondContact O-CB 3.33Å; H287-S290 PolarHBondContact O-N 3.42Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.24Å; S290-N293 PolarHBondContact O-N 3.21Å; S290-H294 WeakPolarHBondContact O-CB 3.42Å; S290-H294 PolarHBondContact O-N 2.98Å
291	L	91.2	Very high	84	Confident	33 Å²	33	85 Å²	85	17%	0.173	44%	0.438	C	S	.	.	H	α-helix	trans	-59.9	-45.9	169.6	175	61.2	0	0	0	110.8	H276 H277 C278 Y285 H287 V288 N293 H294 M295	H276-L291 HydrophobicContact CB-CB 3.92Å; H276-L291 HydrophobicContact CB-CD2 3.74Å; H276-L291 HydrophobicContact CB-CG 4.42Å; H277-L291 WeakPolarHBondContact O-CD1 3.48Å; H277-L291 VanDerWaalsContact O-CD2 3.3Å; H277-L291 WeakPolarHBondContact O-CD2 3.08Å; C278-L291 HydrophobicContact CB-CD1 3.88Å; Y285-L291 HydrophobicContact CD2-CB 4.22Å; Y285-L291 HydrophobicContact CD2-CD1 4.07Å; H287-L291 PolarHBondContact O-N 3.09Å; H287-L291 VanDerWaalsContact O-N 3.09Å; V288-L291 PolarHBondContact O-N 3.32Å; L291-N293 PolarHBondContact O-N 2.89Å; L291-H294 CarbonylContact O-C 3.5Å; L291-H294 WeakPolarHBondContact O-CA 3.29Å; L291-H294 WeakPolarHBondContact O-CB 3.15Å; L291-H294 PolarHBondContact O-N 2.96Å; L291-M295 HydrophobicContact CD1-CG 3.85Å; L291-M295 HydrophobicContact CD1-SD 4.25Å; L291-M295 HydrophobicContact CG-CG 4.08Å; L291-M295 WeakPolarHBondContact O-CG 3.14Å; L291-M295 PolarHBondContact O-N 3.31Å
292	R	88.3	Confident	82.2	Confident	155 Å²	155	87.4 Å²	87.4	59%	0.585	46%	0.461	S	S	*	.	H	α-helix	trans	-61.5	-42.9	179.1	-166.5	-176.4	-62.4	161.1	-0.2	111.7	V288 A289 H294 M295 R296	V288-R292 VanDerWaalsContact O-CB 3.3Å; V288-R292 WeakPolarHBondContact O-CB 3.28Å; V288-R292 PolarHBondContact O-N 2.81Å; A289-R292 PolarHBondContact O-N 3.29Å; R292-H294 PolarHBondContact O-N 2.73Å; R292-M295 PolarHBondContact O-N 3.4Å; R292-R296 WeakPolarHBondContact O-CG 3.36Å; R292-R296 PolarHBondContact O-N 2.77Å
293	N	86.3	Confident	80.4	Confident	86 Å²	86	94.7 Å²	94.7	46%	0.46	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-31.4	173.4	-74.2	-17.4	0	0	0	112.6	A289 S290 L291 R296	A289-N293 WeakPolarHBondContact O-CB 2.99Å; A289-N293 PolarHBondContact O-N 2.92Å; A289-N293 PolarHBondContact O-ND2 3.05Å; S290-N293 PolarHBondContact O-N 3.21Å; L291-N293 PolarHBondContact O-N 2.89Å; N293-R296 PolarHBondContact OD1-NH1 2.87Å
294	H	86.6	Confident	78.9	Confident	17 Å²	17	93.6 Å²	93.6	8%	0.079	48%	0.481	C	S	.	.	H	α-helix	trans	-80	-42.3	174.7	166.8	62.4	0	0	0	113	C278 C281 Y285 S290 L291 R292 R296 K297 H298	C278-H294 VanDerWaalsContact CB-CD2 3.46Å; C278-H294 WeakPolarHBondContact CB-CD2 2.98Å; C278-H294 WeakPolarHBondContact CB-NE2 3.36Å; C278-H294 PolarHBondContact SG-NE2 3.3Å; C281-H294 PolarHBondContact SG-CE1 3.31Å; C281-H294 PolarHBondContact SG-NE2 3.43Å; Y285-H294 HydrophobicContact CD2-CB 4.44Å; Y285-H294 HydrophobicContact CE1-CB 4.25Å; Y285-H294 HydrophobicContact CE2-CB 3.68Å; Y285-H294 AromaticContact CE2-CD2 3.34Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.49Å; Y285-H294 AromaticContact CE2-CG 3.49Å; Y285-H294 VanDerWaalsContact CE2-CG 3.49Å; Y285-H294 AromaticContact CZ-CD2 3.88Å; Y285-H294 AromaticContact CZ-CG 3.55Å; Y285-H294 VanDerWaalsContact OH-CG 3.25Å; Y285-H294 PolarHBondContact OH-ND1 3.14Å; S290-H294 WeakPolarHBondContact O-CB 3.42Å; S290-H294 PolarHBondContact O-N 2.98Å; L291-H294 CarbonylContact O-C 3.5Å; L291-H294 WeakPolarHBondContact O-CA 3.29Å; L291-H294 WeakPolarHBondContact O-CB 3.15Å; L291-H294 PolarHBondContact O-N 2.96Å; R292-H294 PolarHBondContact O-N 2.73Å; H294-R296 PolarHBondContact O-N 3.07Å; H294-K297 WeakPolarHBondContact O-CA 3.33Å; H294-K297 WeakPolarHBondContact O-CB 3.19Å; H294-K297 PolarHBondContact O-N 3.2Å; H294-H298 AromaticContact CE1-CD2 3.62Å; H294-H298 AromaticContact CE1-NE2 3.32Å; H294-H298 PolarHBondContact CE1-NE2 3.36Å; H294-H298 VanDerWaalsContact CE1-NE2 3.32Å; H294-H298 AromaticContact NE2-CD2 3.65Å; H294-H298 AromaticContact NE2-NE2 3.44Å; H294-H298 PolarHBondContact NE2-NE2 3.16Å
295	M	86	Confident	77.2	Confident	47 Å²	47	91.2 Å²	91.2	23%	0.232	48%	0.481	C	S	.	.	H	α-helix	trans	-58.6	-34.4	174.1	-71.6	-59.5	-70.7	0	0	111.4	C278 L280 L291 R292 K297 H298 T299	C278-M295 HydrophobicContact CB-SD 4.4Å; C278-M295 PolarHBondContact SG-SD 2.98Å; L280-M295 HydrophobicContact CD1-CE 3.87Å; L280-M295 HydrophobicContact CG-CE 4.45Å; L291-M295 HydrophobicContact CD1-CG 3.85Å; L291-M295 HydrophobicContact CD1-SD 4.25Å; L291-M295 HydrophobicContact CG-CG 4.08Å; L291-M295 WeakPolarHBondContact O-CG 3.14Å; L291-M295 PolarHBondContact O-N 3.31Å; R292-M295 PolarHBondContact O-N 3.4Å; M295-K297 PolarHBondContact O-N 2.92Å; M295-K297 VanDerWaalsContact O-N 3.11Å; M295-H298 WeakPolarHBondContact O-CA 3.24Å; M295-H298 WeakPolarHBondContact O-CB 3.42Å; M295-H298 PolarHBondContact O-N 2.89Å; M295-T299 PolarHBondContact O-N 2.75Å; M295-T299 PolarHBondContact O-OG1 3.05Å
296	R	84.9	Confident	75.8	Confident	146 Å²	146	94 Å²	94	55%	0.551	49%	0.494	S	S	*	.	H	α-helix	trans	-55.1	-27.1	169.3	-73	-163.6	-159.2	110	0.7	113.3	R292 N293 H294 S300	R292-R296 WeakPolarHBondContact O-CG 3.36Å; R292-R296 PolarHBondContact O-N 2.77Å; N293-R296 PolarHBondContact OD1-NH1 2.87Å; H294-R296 PolarHBondContact O-N 3.07Å; R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 3.19Å; R296-S300 PolarHBondContact O-OG 3.31Å
297	K	80	Confident	75.2	Confident	111 Å²	111	93.1 Å²	93.1	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-78.2	-18.1	173.8	-57.2	-170.3	175.8	-171.1	0	113.7	H294 M295	H294-K297 WeakPolarHBondContact O-CA 3.33Å; H294-K297 WeakPolarHBondContact O-CB 3.19Å; H294-K297 PolarHBondContact O-N 3.2Å; M295-K297 PolarHBondContact O-N 2.92Å; M295-K297 VanDerWaalsContact O-N 3.11Å
298	H	82.5	Confident	74.9	Confident	61 Å²	61	91.9 Å²	91.9	28%	0.282	48%	0.482	S	S	.	.	H	α-helix	trans	-87.1	-45.9	170.2	-76.3	-84.4	0	0	0	111.5	L280 C281 H294 M295 S300 G301	L280-H298 VanDerWaalsContact CB-CE1 3.46Å; L280-H298 WeakPolarHBondContact CB-CE1 3.36Å; L280-H298 VanDerWaalsContact CB-ND1 3.33Å; L280-H298 WeakPolarHBondContact CB-ND1 3.47Å; L280-H298 HydrophobicContact CD1-CB 3.59Å; L280-H298 PolarHBondContact O-CE1 3.04Å; C281-H298 PolarHBondContact SG-NE2 2.89Å; H294-H298 AromaticContact CE1-CD2 3.62Å; H294-H298 AromaticContact CE1-NE2 3.32Å; H294-H298 PolarHBondContact CE1-NE2 3.36Å; H294-H298 VanDerWaalsContact CE1-NE2 3.32Å; H294-H298 AromaticContact NE2-CD2 3.65Å; H294-H298 AromaticContact NE2-NE2 3.44Å; H294-H298 PolarHBondContact NE2-NE2 3.16Å; M295-H298 WeakPolarHBondContact O-CA 3.24Å; M295-H298 WeakPolarHBondContact O-CB 3.42Å; M295-H298 PolarHBondContact O-N 2.89Å; H298-S300 PolarHBondContact O-N 2.94Å; H298-G301 WeakPolarHBondContact O-CA 3.46Å; H298-G301 PolarHBondContact O-N 3.45Å
299	T	71	Confident	74.8	Confident	125 Å²	125	96.1 Å²	96.1	77%	0.767	49%	0.494	S	S	*	.	H	α-helix	trans	-58.7	-34.4	170.6	-42.8	0	0	0	0	111.1	M295 G301	M295-T299 PolarHBondContact O-N 2.75Å; M295-T299 PolarHBondContact O-OG1 3.05Å; T299-G301 PolarHBondContact O-N 3.22Å; T299-G301 VanDerWaalsContact O-N 3.09Å
300	S	61.7	Low	74.9	Confident	41 Å²	41	93.9 Å²	93.9	29%	0.287	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	61.4	168.4	-61.1	0	0	0	0	111.5	R296 H298 A302 T304	R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 3.19Å; R296-S300 PolarHBondContact O-OG 3.31Å; H298-S300 PolarHBondContact O-N 2.94Å; S300-A302 PolarHBondContact O-N 3.08Å; S300-T304 VanDerWaalsContact CA-CG2 3.43Å; S300-T304 VanDerWaalsContact CB-CG2 3.48Å; S300-T304 WeakPolarHBondContact CB-OG1 3.45Å
301	G	51.1	Low	74.8	Confident	51 Å²	51	97.9 Å²	97.9	53%	0.526	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	106.3	-168.5	0	0	0	0	0	114.9	H298 T299 F303	H298-G301 WeakPolarHBondContact O-CA 3.46Å; H298-G301 PolarHBondContact O-N 3.45Å; T299-G301 PolarHBondContact O-N 3.22Å; T299-G301 VanDerWaalsContact O-N 3.09Å; G301-F303 PolarHBondContact O-N 3.38Å
302	A	51.7	Low	74.5	Confident	104 Å²	104	101.7 Å²	101.7	86%	0.86	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-23.1	169.1	0	0	0	0	0	119.9	S300	S300-A302 PolarHBondContact O-N 3.08Å
303	F	51.1	Low	74.5	Confident	199 Å²	199	96.9 Å²	96.9	87%	0.873	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.9	3.3	-160.8	-108.4	-83.8	0	0	0	114.9	G301 S305	G301-F303 PolarHBondContact O-N 3.38Å; F303-S305 PolarHBondContact O-N 3.3Å
304	T	55.3	Low	74.6	Confident	70 Å²	70	99.7 Å²	99.7	43%	0.429	52%	0.519	S	S	.	.			trans	-58.1	129.8	-176.8	60.3	0	0	0	0	111.6	S300 K306	S300-T304 VanDerWaalsContact CA-CG2 3.43Å; S300-T304 VanDerWaalsContact CB-CG2 3.48Å; S300-T304 WeakPolarHBondContact CB-OG1 3.45Å; T304-K306 PolarHBondContact O-N 3.3Å
305	S	54.2	Low	74.8	Confident	96 Å²	96	103.3 Å²	103.3	67%	0.671	53%	0.533	S	S	*	.			trans	-13.5	107.8	171.9	-175.4	0	0	0	0	113.9	F303 R307	F303-S305 PolarHBondContact O-N 3.3Å; S305-R307 PolarHBondContact O-N 3.3Å
306	K	63	Low	74.9	Confident	117 Å²	117	102.4 Å²	102.4	51%	0.509	53%	0.531	S	S	.	.			trans	-64.1	90.7	163.8	-63.7	-166.3	-143.2	155.1	0	106.9	T304 Y308 S316 S317	T304-K306 PolarHBondContact O-N 3.3Å; K306-Y308 CarbonylContact O-C 3.51Å; K306-Y308 PolarHBondContact O-N 3.3Å; K306-S316 WeakPolarHBondContact CD-O 3.46Å; K306-S316 PolarHBondContact NZ-O 2.89Å; K306-S316 VanDerWaalsContact NZ-O 3.12Å; K306-S316 PolarHBondContact NZ-OG 3.14Å; K306-S317 CarbonylContact C-O 3.29Å; K306-S317 VanDerWaalsContact C-O 3.28Å
307	R	75.5	Confident	75	Confident	204 Å²	204	95.9 Å²	95.9	77%	0.77	51%	0.508	S	S	*	.	S	Bend	trans	-48.7	-28.5	-162.5	-63.5	-171.6	-179.9	-146.6	-1.8	114.8	S305 S317	S305-R307 PolarHBondContact O-N 3.3Å; R307-S317 PolarHBondContact N-O 3.12Å
308	Y	83	Confident	75.2	Confident	95 Å²	95	94.7 Å²	94.7	37%	0.373	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.9	178	-51.3	-82.1	0	0	0	109.1	K306 S316 S317 Y319 H320 V323	K306-Y308 CarbonylContact O-C 3.51Å; K306-Y308 PolarHBondContact O-N 3.3Å; Y308-S316 CarbonylContact O-C 2.87Å; Y308-S316 WeakPolarHBondContact O-CA 3.49Å; Y308-S317 PolarHBondContact N-O 3.34Å; Y308-S317 VanDerWaalsContact N-O 3.11Å; Y308-S317 PolarHBondContact O-N 2.89Å; Y308-Y319 VanDerWaalsContact CD2-C 3.43Å; Y308-H320 HydrophobicContact CD1-CB 3.68Å; Y308-H320 AromaticContact CD1-CD2 3.68Å; Y308-H320 AromaticContact CD1-CG 3.92Å; Y308-H320 HydrophobicContact CD2-CB 4.15Å; Y308-H320 HydrophobicContact CE1-CB 3.65Å; Y308-H320 HydrophobicContact CE2-CB 4.11Å; Y308-H320 HydrophobicContact CG-CB 3.93Å; Y308-V323 VanDerWaalsContact CB-CG2 3.45Å; Y308-V323 VanDerWaalsContact O-CG2 3.27Å; Y308-V323 WeakPolarHBondContact O-CG2 3.46Å
309	K	88.2	Confident	75.2	Confident	157 Å²	157	96.8 Å²	96.8	68%	0.683	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	149.2	168.4	60.2	-171.3	177.1	-177.7	0	109.4
310	C	92.9	Very high	76	Confident	10 Å²	10	95.9 Å²	95.9	7%	0.068	50%	0.497	C	S	.	.			trans	-77.3	142.5	164.8	-172.5	0	0	0	0	109.8	H312 Y315 V323 H326 M327 H331	C310-H312 VanDerWaalsContact C-N 3.26Å; C310-H312 PolarHBondContact O-N 2.66Å; C310-H312 PolarHBondContact SG-N 3.16Å; C310-H312 VanDerWaalsContact SG-N 3.35Å; C310-Y315 WeakPolarHBondContact CB-O 3.39Å; C310-Y315 PolarHBondContact N-O 3.47Å; C310-V323 HydrophobicContact CB-CG1 4.1Å; C310-H326 WeakPolarHBondContact CB-NE2 3.49Å; C310-H326 PolarHBondContact SG-NE2 2.63Å; C310-M327 VanDerWaalsContact SG-CG 3.53Å; C310-H331 PolarHBondContact SG-CD2 2.88Å
311	N	86	Confident	77.3	Confident	130 Å²	130	101 Å²	101	70%	0.695	51%	0.51	S	S	*	.	S	Bend	trans	-80.9	-5.3	175.7	-66.4	-11.6	0	0	0	113.3
312	H	84.7	Confident	79.2	Confident	114 Å²	114	100.9 Å²	100.9	53%	0.528	50%	0.498	S	S	.	.	S	Bend	trans	-121.9	-12.2	-173.5	-58.9	-100.2	0	0	0	114.3	C310 H331	C310-H312 VanDerWaalsContact C-N 3.26Å; C310-H312 PolarHBondContact O-N 2.66Å; C310-H312 PolarHBondContact SG-N 3.16Å; C310-H312 VanDerWaalsContact SG-N 3.35Å; H312-H331 HydrophobicContact CB-CB 3.92Å; H312-H331 WeakPolarHBondContact CB-ND1 3.11Å; H312-H331 AromaticContact CG-CG 3.98Å
313	C	89.6	Confident	81.1	Confident	54 Å²	54	96.2 Å²	96.2	37%	0.365	46%	0.458	S	S	.	.	S	Bend	trans	-158.3	-178.6	167.4	81.7	0	0	0	0	113.3	Y315 H326 H331	C313-Y315 PolarHBondContact O-N 2.87Å; C313-Y315 VanDerWaalsContact O-N 3.1Å; C313-Y315 VanDerWaalsContact SG-CB 3.58Å; C313-Y315 PolarHBondContact SG-N 3.24Å; C313-Y315 VanDerWaalsContact SG-N 3.35Å; C313-H326 PolarHBondContact SG-CE1 3.03Å; C313-H326 PolarHBondContact SG-NE2 3.23Å; C313-H331 PolarHBondContact SG-NE2 3.46Å
314	V	88.2	Confident	82.9	Confident	144 Å²	144	90 Å²	90	87%	0.873	43%	0.433	S	S	*	.	S	Bend	trans	-65.3	-8.9	-178.8	-167	0	0	0	0	113.7	S316	V314-S316 PolarHBondContact O-OG 3.45Å
315	Y	89.4	Confident	84.5	Confident	93 Å²	93	93.3 Å²	93.3	37%	0.365	44%	0.442	S	S	.	.			trans	-59.9	141.9	176.5	-174.8	-88.7	0	0	0	111.5	C310 C313 V323 H326	C310-Y315 WeakPolarHBondContact CB-O 3.39Å; C310-Y315 PolarHBondContact N-O 3.47Å; C313-Y315 PolarHBondContact O-N 2.87Å; C313-Y315 VanDerWaalsContact O-N 3.1Å; C313-Y315 VanDerWaalsContact SG-CB 3.58Å; C313-Y315 PolarHBondContact SG-N 3.24Å; C313-Y315 VanDerWaalsContact SG-N 3.35Å; Y315-V323 HydrophobicContact CE1-CG2 4.35Å; Y315-H326 VanDerWaalsContact CB-NE2 3.29Å; Y315-H326 WeakPolarHBondContact CB-NE2 3.22Å; Y315-H326 HydrophobicContact CD1-CB 3.71Å; Y315-H326 AromaticContact CD1-CD2 3.26Å; Y315-H326 WeakPolarHBondContact CD1-CD2 3.18Å; Y315-H326 AromaticContact CD1-CG 3.37Å; Y315-H326 AromaticContact CD1-NE2 3.95Å; Y315-H326 HydrophobicContact CE1-CB 3.63Å; Y315-H326 AromaticContact CE1-CG 3.85Å; Y315-H326 HydrophobicContact CG-CB 4.22Å; Y315-H326 AromaticContact CG-CD2 3.54Å; Y315-H326 AromaticContact CG-CE1 3.92Å; Y315-H326 AromaticContact CG-CG 3.53Å; Y315-H326 AromaticContact CG-ND1 3.79Å; Y315-H326 AromaticContact CG-NE2 3.78Å
316	S	88.3	Confident	86.2	Confident	29 Å²	29	89.6 Å²	89.6	20%	0.203	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	146.2	-174.7	41.9	0	0	0	0	109.5	K306 Y308 V314	K306-S316 WeakPolarHBondContact CD-O 3.46Å; K306-S316 PolarHBondContact NZ-O 2.89Å; K306-S316 VanDerWaalsContact NZ-O 3.12Å; K306-S316 PolarHBondContact NZ-OG 3.14Å; Y308-S316 CarbonylContact O-C 2.87Å; Y308-S316 WeakPolarHBondContact O-CA 3.49Å; V314-S316 PolarHBondContact O-OG 3.45Å
317	S	87.2	Confident	87.4	Confident	8 Å²	8	87 Å²	87	6%	0.056	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.8	-171.9	165.8	0	0	0	0	112.5	K306 R307 Y308 Y319 N322	K306-S317 CarbonylContact C-O 3.29Å; K306-S317 VanDerWaalsContact C-O 3.28Å; R307-S317 PolarHBondContact N-O 3.12Å; Y308-S317 PolarHBondContact N-O 3.34Å; Y308-S317 VanDerWaalsContact N-O 3.11Å; Y308-S317 PolarHBondContact O-N 2.89Å; S317-Y319 PolarHBondContact O-N 3.07Å; S317-Y319 PolarHBondContact OG-N 2.72Å; S317-Y319 PolarHBondContact OG-O 3.16Å; S317-N322 WeakPolarHBondContact OG-CB 3.29Å
318	Q	84.5	Confident	88.1	Confident	87 Å²	87	82.5 Å²	82.5	41%	0.407	39%	0.392	S	S	.	.	S	Bend	trans	-70.6	-16.1	170.8	-171.4	167.9	53.9	0	0	112.9
319	Y	83.3	Confident	88.3	Confident	104 Å²	104	82 Å²	82	41%	0.408	41%	0.408	S	S	.	.	S	Bend	trans	-127.4	132.4	-177.8	-53.8	-74.7	0	0	0	112.5	Y308 S317 R321 N322	Y308-Y319 VanDerWaalsContact CD2-C 3.43Å; S317-Y319 PolarHBondContact O-N 3.07Å; S317-Y319 PolarHBondContact OG-N 2.72Å; S317-Y319 PolarHBondContact OG-O 3.16Å; Y319-R321 PolarHBondContact O-N 3.3Å; Y319-N322 PolarHBondContact O-N 3.06Å
320	H	87.8	Confident	88.1	Confident	107 Å²	107	78.4 Å²	78.4	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-54.7	-48.5	-179.9	-171.6	-145.5	0	0	0	112.8	Y308 N322 V323 I324	Y308-H320 HydrophobicContact CD1-CB 3.68Å; Y308-H320 AromaticContact CD1-CD2 3.68Å; Y308-H320 AromaticContact CD1-CG 3.92Å; Y308-H320 HydrophobicContact CD2-CB 4.15Å; Y308-H320 HydrophobicContact CE1-CB 3.65Å; Y308-H320 HydrophobicContact CE2-CB 4.11Å; Y308-H320 HydrophobicContact CG-CB 3.93Å; H320-N322 PolarHBondContact O-N 2.77Å; H320-V323 WeakPolarHBondContact O-CA 3.33Å; H320-V323 WeakPolarHBondContact O-CB 3.4Å; H320-V323 PolarHBondContact O-N 2.58Å; H320-I324 PolarHBondContact O-N 2.78Å
321	R	88.7	Confident	87.7	Confident	148 Å²	148	79.7 Å²	79.7	56%	0.558	40%	0.404	S	S	*	.	H	α-helix	trans	-53.3	-29.5	179.9	77.6	-176.5	-172.6	-92.4	-4.5	114.2	Y319 K325	Y319-R321 PolarHBondContact O-N 3.3Å; R321-K325 WeakPolarHBondContact O-CG 3.45Å; R321-K325 PolarHBondContact O-N 2.87Å
322	N	90.6	Very high	87.3	Confident	49 Å²	49	80.8 Å²	80.8	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-80.9	-29	179.1	-62.7	3.8	0	0	0	111.4	S317 Y319 H320 H326	S317-N322 WeakPolarHBondContact OG-CB 3.29Å; Y319-N322 PolarHBondContact O-N 3.06Å; H320-N322 PolarHBondContact O-N 2.77Å; N322-H326 VanDerWaalsContact O-CB 3.23Å; N322-H326 WeakPolarHBondContact O-CB 3.46Å; N322-H326 PolarHBondContact O-N 2.72Å
323	V	91.2	Very high	85.7	Confident	6 Å²	6	81 Å²	81	4%	0.036	40%	0.403	C	S	.	.	H	α-helix	trans	-71.1	-40.7	170.6	-176.1	0	0	0	0	110.1	Y308 C310 Y315 H320 H326 M327	Y308-V323 VanDerWaalsContact CB-CG2 3.45Å; Y308-V323 VanDerWaalsContact O-CG2 3.27Å; Y308-V323 WeakPolarHBondContact O-CG2 3.46Å; C310-V323 HydrophobicContact CB-CG1 4.1Å; Y315-V323 HydrophobicContact CE1-CG2 4.35Å; H320-V323 WeakPolarHBondContact O-CA 3.33Å; H320-V323 WeakPolarHBondContact O-CB 3.4Å; H320-V323 PolarHBondContact O-N 2.58Å; V323-H326 CarbonylContact O-C 3.14Å; V323-H326 PolarHBondContact O-N 3.04Å; V323-M327 HydrophobicContact CG1-CG 4.39Å; V323-M327 HydrophobicContact CG1-SD 3.96Å; V323-M327 WeakPolarHBondContact O-CB 3.15Å; V323-M327 WeakPolarHBondContact O-CG 3.4Å; V323-M327 PolarHBondContact O-N 3.13Å
324	I	88.8	Confident	83.7	Confident	68 Å²	68	86.4 Å²	86.4	35%	0.349	42%	0.423	S	S	.	.	H	α-helix	trans	-56.6	-56.2	171.2	-64.3	173.6	0	0	0	110	H320 H326 M327 E328	H320-I324 PolarHBondContact O-N 2.78Å; I324-H326 PolarHBondContact O-N 3.06Å; I324-H326 VanDerWaalsContact O-N 3.16Å; I324-M327 WeakPolarHBondContact O-CA 2.81Å; I324-M327 WeakPolarHBondContact O-CB 3.34Å; I324-M327 PolarHBondContact O-N 2.85Å; I324-E328 HydrophobicContact CG2-CG 4.19Å; I324-E328 WeakPolarHBondContact CG2-OE1 3.2Å; I324-E328 WeakPolarHBondContact O-CG 3.27Å; I324-E328 PolarHBondContact O-N 3.47Å
325	K	89.7	Confident	81.3	Confident	140 Å²	140	87.5 Å²	87.5	61%	0.609	42%	0.419	S	S	*	.	H	α-helix	trans	-56.5	-34	177	-76.6	-170.7	174.7	-163.7	0	113.9	R321 E328 A329	R321-K325 WeakPolarHBondContact O-CG 3.45Å; R321-K325 PolarHBondContact O-N 2.87Å; K325-E328 WeakPolarHBondContact CA-OE2 3.46Å; K325-A329 WeakPolarHBondContact O-CB 3.45Å; K325-A329 PolarHBondContact O-N 3.29Å; K325-A329 VanDerWaalsContact O-N 3.12Å
326	H	89.6	Confident	78.9	Confident	17 Å²	17	86 Å²	86	8%	0.079	42%	0.419	C	S	.	.	H	α-helix	trans	-71.8	-41.6	173.9	156.5	64	0	0	0	112.2	C310 C313 Y315 N322 V323 I324 A329 T330 H331	C310-H326 WeakPolarHBondContact CB-NE2 3.49Å; C310-H326 PolarHBondContact SG-NE2 2.63Å; C313-H326 PolarHBondContact SG-CE1 3.03Å; C313-H326 PolarHBondContact SG-NE2 3.23Å; Y315-H326 VanDerWaalsContact CB-NE2 3.29Å; Y315-H326 WeakPolarHBondContact CB-NE2 3.22Å; Y315-H326 HydrophobicContact CD1-CB 3.71Å; Y315-H326 AromaticContact CD1-CD2 3.26Å; Y315-H326 WeakPolarHBondContact CD1-CD2 3.18Å; Y315-H326 AromaticContact CD1-CG 3.37Å; Y315-H326 AromaticContact CD1-NE2 3.95Å; Y315-H326 HydrophobicContact CE1-CB 3.63Å; Y315-H326 AromaticContact CE1-CG 3.85Å; Y315-H326 HydrophobicContact CG-CB 4.22Å; Y315-H326 AromaticContact CG-CD2 3.54Å; Y315-H326 AromaticContact CG-CE1 3.92Å; Y315-H326 AromaticContact CG-CG 3.53Å; Y315-H326 AromaticContact CG-ND1 3.79Å; Y315-H326 AromaticContact CG-NE2 3.78Å; N322-H326 VanDerWaalsContact O-CB 3.23Å; N322-H326 WeakPolarHBondContact O-CB 3.46Å; N322-H326 PolarHBondContact O-N 2.72Å; V323-H326 CarbonylContact O-C 3.14Å; V323-H326 PolarHBondContact O-N 3.04Å; I324-H326 PolarHBondContact O-N 3.06Å; I324-H326 VanDerWaalsContact O-N 3.16Å; H326-A329 PolarHBondContact O-N 2.79Å; H326-T330 VanDerWaalsContact CE1-CB 3.47Å; H326-T330 WeakPolarHBondContact CE1-CB 3.48Å; H326-T330 PolarHBondContact CE1-OG1 2.84Å; H326-T330 WeakPolarHBondContact ND1-CB 3.12Å; H326-T330 PolarHBondContact ND1-OG1 3.04Å; H326-T330 WeakPolarHBondContact O-CA 3.18Å; H326-T330 WeakPolarHBondContact O-CB 3.42Å; H326-T330 PolarHBondContact O-N 3.39Å; H326-T330 PolarHBondContact O-OG1 3.04Å; H326-H331 AromaticContact CE1-CD2 3.53Å; H326-H331 AromaticContact CE1-NE2 3.27Å; H326-H331 PolarHBondContact CE1-NE2 3.36Å; H326-H331 VanDerWaalsContact CE1-NE2 3.27Å; H326-H331 AromaticContact NE2-CD2 3.29Å; H326-H331 PolarHBondContact NE2-CD2 2.88Å; H326-H331 VanDerWaalsContact NE2-CD2 3.29Å; H326-H331 AromaticContact NE2-NE2 3.21Å; H326-H331 PolarHBondContact NE2-NE2 3.45Å
327	M	89.2	Confident	76.4	Confident	64 Å²	64	89 Å²	89	32%	0.315	43%	0.432	S	S	.	.	H	α-helix	trans	-62.3	-45.9	173.8	-73.1	169	63	0	0	110.9	C310 V323 I324 A329 T330 H331 R332	C310-M327 VanDerWaalsContact SG-CG 3.53Å; V323-M327 HydrophobicContact CG1-CG 4.39Å; V323-M327 HydrophobicContact CG1-SD 3.96Å; V323-M327 WeakPolarHBondContact O-CB 3.15Å; V323-M327 WeakPolarHBondContact O-CG 3.4Å; V323-M327 PolarHBondContact O-N 3.13Å; I324-M327 WeakPolarHBondContact O-CA 2.81Å; I324-M327 WeakPolarHBondContact O-CB 3.34Å; I324-M327 PolarHBondContact O-N 2.85Å; M327-A329 PolarHBondContact O-N 3.47Å; M327-T330 PolarHBondContact O-N 3Å; M327-H331 CarbonylContact O-C 3.56Å; M327-H331 VanDerWaalsContact O-C 3.29Å; M327-H331 WeakPolarHBondContact O-CA 3.37Å; M327-H331 PolarHBondContact O-N 2.8Å; M327-R332 PolarHBondContact O-N 2.89Å
328	E	90.3	Very high	73.7	Confident	108 Å²	108	91 Å²	91	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-57	-34.6	174.4	-69.9	170.6	159.5	0	0	113.3	I324 K325 R332	I324-E328 HydrophobicContact CG2-CG 4.19Å; I324-E328 WeakPolarHBondContact CG2-OE1 3.2Å; I324-E328 WeakPolarHBondContact O-CG 3.27Å; I324-E328 PolarHBondContact O-N 3.47Å; K325-E328 WeakPolarHBondContact CA-OE2 3.46Å; E328-R332 VanDerWaalsContact O-CB 3.28Å; E328-R332 WeakPolarHBondContact O-CB 3.22Å
329	A	86.9	Confident	71.3	Confident	85 Å²	85	91 Å²	91	70%	0.702	45%	0.452	S	S	*	.	H	α-helix	trans	-99.7	-16.4	-175.6	0	0	0	0	0	115.3	K325 H326 M327	K325-A329 WeakPolarHBondContact O-CB 3.45Å; K325-A329 PolarHBondContact O-N 3.29Å; K325-A329 VanDerWaalsContact O-N 3.12Å; H326-A329 PolarHBondContact O-N 2.79Å; M327-A329 PolarHBondContact O-N 3.47Å
330	T	83.6	Confident	68.9	Low	81 Å²	81	91.7 Å²	91.7	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-129	-20.8	-171	-40.3	0	0	0	0	113.7	H326 M327	H326-T330 VanDerWaalsContact CE1-CB 3.47Å; H326-T330 WeakPolarHBondContact CE1-CB 3.48Å; H326-T330 PolarHBondContact CE1-OG1 2.84Å; H326-T330 WeakPolarHBondContact ND1-CB 3.12Å; H326-T330 PolarHBondContact ND1-OG1 3.04Å; H326-T330 WeakPolarHBondContact O-CA 3.18Å; H326-T330 WeakPolarHBondContact O-CB 3.42Å; H326-T330 PolarHBondContact O-N 3.39Å; H326-T330 PolarHBondContact O-OG1 3.04Å; M327-T330 PolarHBondContact O-N 3Å
331	H	83.7	Confident	66.3	Low	38 Å²	38	93.8 Å²	93.8	18%	0.176	48%	0.478	C	S	.	.	S	Bend	trans	-131.8	12.9	-174.7	-60.7	-57.9	0	0	0	113.5	C310 H312 C313 H326 M327 D333	C310-H331 PolarHBondContact SG-CD2 2.88Å; H312-H331 HydrophobicContact CB-CB 3.92Å; H312-H331 WeakPolarHBondContact CB-ND1 3.11Å; H312-H331 AromaticContact CG-CG 3.98Å; C313-H331 PolarHBondContact SG-NE2 3.46Å; H326-H331 AromaticContact CE1-CD2 3.53Å; H326-H331 AromaticContact CE1-NE2 3.27Å; H326-H331 PolarHBondContact CE1-NE2 3.36Å; H326-H331 VanDerWaalsContact CE1-NE2 3.27Å; H326-H331 AromaticContact NE2-CD2 3.29Å; H326-H331 PolarHBondContact NE2-CD2 2.88Å; H326-H331 VanDerWaalsContact NE2-CD2 3.29Å; H326-H331 AromaticContact NE2-NE2 3.21Å; H326-H331 PolarHBondContact NE2-NE2 3.45Å; M327-H331 CarbonylContact O-C 3.56Å; M327-H331 VanDerWaalsContact O-C 3.29Å; M327-H331 WeakPolarHBondContact O-CA 3.37Å; M327-H331 PolarHBondContact O-N 2.8Å; H331-D333 PolarHBondContact O-N 3.46Å
332	R	79	Confident	63.8	Low	153 Å²	153	92.4 Å²	92.4	58%	0.577	49%	0.486	S	S	*	.			trans	-82.6	69.7	169.9	-163.7	176.4	-167.7	176.2	3.3	109.2	M327 E328	M327-R332 PolarHBondContact O-N 2.89Å; E328-R332 VanDerWaalsContact O-CB 3.28Å; E328-R332 WeakPolarHBondContact O-CB 3.22Å
333	D	49.8	Very low	61	Low	119 Å²	119	94.5 Å²	94.5	64%	0.636	50%	0.504	S	S	*	.			trans	-56.3	145.7	171.4	-68.3	-49.2	0	0	0	109.8	H331 E335	H331-D333 PolarHBondContact O-N 3.46Å; D333-E335 PolarHBondContact O-N 2.86Å
334	H	49.1	Very low	58.4	Low	167 Å²	167	100.7 Å²	100.7	77%	0.773	54%	0.542	S	S	*	.	S	Bend	trans	-68.1	-6.1	-161.1	-122.9	-92.3	0	0	0	114.8	T336 L337	H334-T336 PolarHBondContact O-N 2.73Å; H334-T336 VanDerWaalsContact O-N 3.16Å; H334-L337 PolarHBondContact O-N 3.36Å
335	E	36.9	Very low	55.8	Low	167 Å²	167	106.1 Å²	106.1	78%	0.78	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	28.1	179.5	-54	-161.1	151.9	0	0	113	I113 D333	I113-E335 WeakPolarHBondContact CG2-O 3.25Å; D333-E335 PolarHBondContact O-N 2.86Å
336	T	38.2	Very low	53	Low	62 Å²	62	105 Å²	105	38%	0.38	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.3	9.1	160.8	54.4	0	0	0	0	114.3	I113 H334	I113-T336 WeakPolarHBondContact CG1-O 3.47Å; I113-T336 HydrophobicContact CG2-CG2 4.4Å; H334-T336 PolarHBondContact O-N 2.73Å; H334-T336 VanDerWaalsContact O-N 3.16Å
337	L	36.2	Very low	50.2	Low	91 Å²	91	112.4 Å²	112.4	48%	0.476	61%	0.605	S	S	.	*	S	Bend	trans	-133.2	39.1	171.5	-68.1	177.3	0	0	0	112.2	T112 H334	T112-L337 HydrophobicContact CG2-CD2 3.63Å; H334-L337 PolarHBondContact O-N 3.36Å
338	S	30.3	Very low	47.5	Very low	51 Å²	51	116 Å²	116	36%	0.357	62%	0.624	S	S	.	*			trans	-137.1	88.3	179.4	-165.5	0	0	0	0	113	N340	S338-N340 PolarHBondContact OG-ND2 3.34Å; S338-N340 VanDerWaalsContact OG-ND2 3.09Å
339	T	33.9	Very low	44.4	Very low	85 Å²	85	116.2 Å²	116.2	52%	0.521	64%	0.637	S	S	.	*			trans	-85.4	121.7	134.3	27.4	0	0	0	0	106.3	T112	T112-T339 VanDerWaalsContact O-CB 3.27Å; T112-T339 WeakPolarHBondContact O-CB 3.5Å; T112-T339 WeakPolarHBondContact O-CG2 3.46Å; T112-T339 PolarHBondContact O-OG1 3.05Å
340	N	33.1	Very low	41.7	Very low	119 Å²	119	117.7 Å²	117.7	64%	0.636	64%	0.641	S	S	*	*			trans	-87.5	169.3	154.4	-59.2	-63	0	0	0	107.7	S338	S338-N340 PolarHBondContact OG-ND2 3.34Å; S338-N340 VanDerWaalsContact OG-ND2 3.09Å
341	N	33.6	Very low	39.3	Very low	152 Å²	152	118.1 Å²	118.1	81%	0.813	65%	0.654	S	S	*	*			trans	83.3	126.6	179	-42.2	-29.9	0	0	0	113.9
342	T	36.1	Very low	36.9	Very low	119 Å²	119	122.1 Å²	122.1	73%	0.73	68%	0.683	S	S	*	*			cis	-161.5	148	-3	-92.2	0	0	0	0	109.5
343	S	32.7	Very low	34.4	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	69%	0.686	S	S	*	*			trans	13	140.7	164.8	68.1	0	0	0	0	120.3
344	V	36.4	Very low	33.5	Very low	136 Å²	136	120.2 Å²	120.2	82%	0.824	69%	0.69	S	S	*	*				-148.9	156	53.7	169.3	0	0	0	0	111.9
345	F	32.8	Very low	32.9	Very low	182 Å²	182	117.4 Å²	117.4	80%	0.798	69%	0.69	S	S	*	*			trans	-88.2	160.7	179.3	-64.5	-101.8	0	0	0	113
346	P	32.7	Very low	32.7	Very low	118 Å²	118	115.9 Å²	115.9	77%	0.766	69%	0.691	S	S	*	*				-138.1	149.2	100.5	39	-27.5	0	0	0	110.7
347	E	29.9	Very low	32.3	Very low	172 Å²	172	116.7 Å²	116.7	80%	0.804	70%	0.704	S	S	*	*			cis	64.4	119.5	34.4	-133.7	-176.3	-175	0	0	116.6
348	I	32.6	Very low	32.1	Very low	139 Å²	139	117.3 Å²	117.3	71%	0.713	72%	0.716	S	S	*	*			trans	83.7	105.9	168.8	-47.8	-177.1	0	0	0	118.1
349	C	25.1	Very low	32.2	Very low	113 Å²	113	121.6 Å²	121.6	76%	0.764	74%	0.735	S	S	*	*				23.2	146.6	128.2	-47	0	0	0	0	120
350	S	30.9	Very low	32.6	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	74%	0.744	S	S	*	*				-174.9	174.3	67.1	-62.4	0	0	0	0	113
351	A	31.8	Very low	32.6	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	75%	0.752	S	S	*	*			trans	-87.4	170.5	167.7	0	0	0	0	0	111.3
352	P	33.1	Very low	32.8	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	75%	0.751	S	S	*	*			cis	-134.1	-143.9	10.6	44.7	-25.3	0	0	0	115.1
353	C	27.4	Very low	32.6	Very low	96 Å²	96	125.7 Å²	125.7	65%	0.649	75%	0.752	S	S	*	*			trans	-65.1	174.7	-174.2	50	0	0	0	0	115.8
354	D	29.9	Very low	32.6	Very low	136 Å²	136	123.9 Å²	123.9	73%	0.727	75%	0.747	S	S	*	*			cis	-156.9	158	39.5	-87.8	-64.9	0	0	0	116.5
355	S	37.7	Very low	32.4	Very low	109 Å²	109	126.8 Å²	126.8	76%	0.762	75%	0.749	S	S	*	*			trans	66.5	151.6	148.9	71.9	0	0	0	0	120.7
356	V	33.1	Very low	32.4	Very low	134 Å²	134	124.9 Å²	124.9	81%	0.812	75%	0.746	S	S	*	*			cis	-161.1	154.3	-13.6	125.1	0	0	0	0	109.5
357	A	29.9	Very low	32.3	Very low	79 Å²	79	126 Å²	126	65%	0.653	75%	0.745	S	S	*	*			trans	64.5	135.8	173.2	0	0	0	0	0	116.2
358	S	31.5	Very low	32.8	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	74%	0.735	S	S	*	*			cis	73	137.2	45.8	-48.5	0	0	0	0	112.3
359	D	32.7	Very low	32.8	Very low	142 Å²	142	121.7 Å²	121.7	76%	0.759	73%	0.725	S	S	*	*			cis	-134.1	173.5	28.5	-70.3	-64.8	0	0	0	116
360	D	40.9	Very low	33.2	Very low	133 Å²	133	119.8 Å²	119.8	71%	0.711	71%	0.71	S	S	*	*			trans	65.4	116.6	159.3	-64.9	-25.1	0	0	0	121.1
361	L	34.6	Very low	33.3	Very low	150 Å²	150	121 Å²	121	79%	0.785	70%	0.697	S	S	*	*				76.7	131.2	69.1	-94.1	67.8	0	0	0	112.2
362	E	37.7	Very low	33.4	Very low	173 Å²	173	123 Å²	123	81%	0.808	69%	0.694	S	S	*	*			cis	-150.8	177.5	11	-91.7	-158.9	113.9	0	0	109
363	S	31.8	Very low	33.4	Very low	105 Å²	105	123.1 Å²	123.1	73%	0.734	70%	0.695	S	S	*	*			cis	-177.7	161.7	-27.7	-177	0	0	0	0	108.2
364	G	32.1	Very low	33.6	Very low	53 Å²	53	123.9 Å²	123.9	55%	0.546	70%	0.7	S	S	.	*			trans	81.9	116.9	169.5	0	0	0	0	0	116.5
365	F	31.9	Very low	33.9	Very low	197 Å²	197	123.9 Å²	123.9	86%	0.864	71%	0.705	S	S	*	*			cis	62.6	152.6	9.2	-57.5	-83.5	0	0	0	115
366	I	32.5	Very low	33.7	Very low	143 Å²	143	126.6 Å²	126.6	73%	0.733	70%	0.703	S	S	*	*			cis	-140.4	178.4	16.5	-13.7	177.7	0	0	0	112.4
367	N	32	Very low	33.7	Very low	141 Å²	141	124.5 Å²	124.5	75%	0.754	70%	0.7	S	S	*	*			trans	-34.9	146.9	162.8	-62.9	-68.6	0	0	0	115.5
368	S	38.8	Very low	33.8	Very low	83 Å²	83	127 Å²	127	58%	0.58	70%	0.698	S	S	*	*	S	Bend	trans	-103.5	55.7	168	-75.8	0	0	0	0	114.6
369	R	33.6	Very low	34.1	Very low	137 Å²	137	127.1 Å²	127.1	52%	0.517	70%	0.696	S	S	.	*			trans	-100.5	75.1	136.3	-174	-157.3	-66.8	-163.4	7.8	106.8	W371 H414 I415	R369-W371 PolarHBondContact O-N 2.79Å; R369-H414 VanDerWaalsContact CD-O 3.25Å; R369-H414 WeakPolarHBondContact CD-O 3.44Å; R369-H414 HydrophobicContact CG-CB 4.09Å; R369-H414 VanDerWaalsContact CG-O 3.29Å; R369-H414 WeakPolarHBondContact CG-O 3.42Å; R369-H414 PolarHBondContact NH2-CD2 3.09Å; R369-H414 PolarHBondContact NH2-CE1 3.41Å; R369-H414 PolarHBondContact NH2-ND1 3.46Å; R369-H414 PolarHBondContact NH2-NE2 2.99Å; R369-I415 HydrophobicContact CG-CG1 3.92Å
370	V	33.8	Very low	34.4	Very low	74 Å²	74	126.9 Å²	126.9	45%	0.448	70%	0.695	S	S	.	*			trans	-74.9	114.8	-178.9	-170.8	0	0	0	0	109.1	I372 I415	V370-I372 HydrophobicContact CG1-CD1 4.4Å; V370-I372 HydrophobicContact CG1-CG1 3.78Å; V370-I415 VanDerWaalsContact O-CD1 3.24Å; V370-I415 WeakPolarHBondContact O-CD1 3.43Å; V370-I415 WeakPolarHBondContact O-CG1 3.09Å; V370-I415 WeakPolarHBondContact O-CG2 3.27Å
371	W	32.4	Very low	33.9	Very low	139 Å²	139	125.6 Å²	125.6	53%	0.527	69%	0.692	S	S	.	*			trans	-116.1	110.8	175.1	-175.1	41.5	0	0	0	107.7	R369 S417 R418	R369-W371 PolarHBondContact O-N 2.79Å; W371-S417 WeakPolarHBondContact CZ2-O 3.44Å; W371-S417 PolarHBondContact NE1-O 2.87Å; W371-S417 VanDerWaalsContact NE1-O 3.08Å; W371-R418 HydrophobicContact CH2-CG 4.14Å; W371-R418 HydrophobicContact CZ2-CB 4.14Å; W371-R418 HydrophobicContact CZ2-CG 3.96Å
372	I	33.6	Very low	34.5	Very low	133 Å²	133	126.3 Å²	126.3	68%	0.682	69%	0.685	S	S	*	*			trans	-95.1	124.4	-160.5	-58.4	173.9	0	0	0	111.6	V370	V370-I372 HydrophobicContact CG1-CD1 4.4Å; V370-I372 HydrophobicContact CG1-CG1 3.78Å
373	P	34.5	Very low	34.3	Very low	124 Å²	124	122.7 Å²	122.7	81%	0.805	68%	0.678	S	S	*	*			trans	-82.8	143.5	157.4	-3	22.7	0	0	0	110.5
374	C	30.4	Very low	34.2	Very low	113 Å²	113	122.6 Å²	122.6	76%	0.764	67%	0.673	S	S	*	*			trans	-134.3	129.2	-173.7	174.6	0	0	0	0	112.2
375	T	35.3	Very low	34	Very low	136 Å²	136	126 Å²	126	83%	0.834	68%	0.676	S	S	*	*			trans	-158.3	99.7	164.9	42.7	0	0	0	0	113.3
376	K	34.4	Very low	34	Very low	166 Å²	166	120.9 Å²	120.9	72%	0.722	67%	0.665	S	S	*	*			trans	62.1	-171.6	163.1	-63.9	-178.2	149	-77.4	0	114.8	E378	K376-E378 IonicContact NZ-OE1 3.83Å; K376-E378 PolarHBondContact NZ-OE1 2.85Å; K376-E378 IonicContact NZ-OE2 2.7Å; K376-E378 PolarHBondContact NZ-OE2 3.26Å
377	A	32.6	Very low	33.8	Very low	89 Å²	89	117.8 Å²	117.8	74%	0.736	67%	0.668	S	S	*	*			cis	-162.8	148.4	9.2	0	0	0	0	0	111.7
378	E	32.6	Very low	34.2	Very low	133 Å²	133	116.6 Å²	116.6	62%	0.621	67%	0.666	S	S	*	*			cis	-137.2	-57.6	-41.2	-31.4	-96.4	-139.9	0	0	112.9	K376	K376-E378 IonicContact NZ-OE1 3.83Å; K376-E378 PolarHBondContact NZ-OE1 2.85Å; K376-E378 IonicContact NZ-OE2 2.7Å; K376-E378 PolarHBondContact NZ-OE2 3.26Å
379	P	37.3	Very low	34.4	Very low	106 Å²	106	118 Å²	118	69%	0.688	67%	0.672	S	S	*	*			trans	-136.1	137	-145.4	39.5	-20.9	0	0	0	120.2
380	N	39.1	Very low	34.4	Very low	137 Å²	137	117.9 Å²	117.9	73%	0.733	68%	0.681	S	S	*	*	S	Bend	trans	45.9	153.6	147.1	-73.3	0.1	0	0	0	124.4	Y382 C383	N380-Y382 WeakPolarHBondContact O-CA 3.12Å; N380-C383 WeakPolarHBondContact O-CB 3.41Å; N380-C383 PolarHBondContact O-N 2.82Å
381	T	30.4	Very low	34.2	Very low	106 Å²	106	118.7 Å²	118.7	65%	0.65	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.1	5	-167	-19.3	0	0	0	0	118.5	C383	T381-C383 VanDerWaalsContact C-N 3.33Å
382	Y	47	Very low	34.1	Very low	164 Å²	164	119.8 Å²	119.8	64%	0.643	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn		-63.2	98	-63.6	72.6	-78.5	0	0	0	106.6	N380 T384 M385	N380-Y382 WeakPolarHBondContact O-CA 3.12Å; Y382-T384 CarbonylContact O-C 3.29Å; Y382-T384 WeakPolarHBondContact O-CA 3.34Å; Y382-T384 PolarHBondContact O-N 3.36Å; Y382-M385 HydrophobicContact CD1-SD 4.44Å; Y382-M385 HydrophobicContact CE1-SD 4.15Å; Y382-M385 PolarHBondContact O-N 3.18Å
383	C	35.1	Very low	33.8	Very low	98 Å²	98	119.2 Å²	119.2	66%	0.662	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	107.6	-139.9	-145.3	0	0	0	0	113.8	N380 T381	N380-C383 WeakPolarHBondContact O-CB 3.41Å; N380-C383 PolarHBondContact O-N 2.82Å; T381-C383 VanDerWaalsContact C-N 3.33Å
384	T	28.5	Very low	33.3	Very low	102 Å²	102	120 Å²	120	63%	0.626	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	cis	-142	114.5	-9.4	12	0	0	0	0	110.8	Y382	Y382-T384 CarbonylContact O-C 3.29Å; Y382-T384 WeakPolarHBondContact O-CA 3.34Å; Y382-T384 PolarHBondContact O-N 3.36Å
385	M	28.4	Very low	33.4	Very low	124 Å²	124	121 Å²	121	61%	0.611	69%	0.694	S	S	*	*			trans	65.2	172.2	144.3	-58.2	-64.4	-163.7	0	0	119.6	Y382	Y382-M385 HydrophobicContact CD1-SD 4.44Å; Y382-M385 HydrophobicContact CE1-SD 4.15Å; Y382-M385 PolarHBondContact O-N 3.18Å
386	S	32.2	Very low	33.3	Very low	91 Å²	91	121.1 Å²	121.1	64%	0.636	69%	0.687	S	S	*	*			trans	-53.1	141.9	166.4	-38.7	0	0	0	0	112.8
387	G	27.6	Very low	32.9	Very low	77 Å²	77	120.9 Å²	120.9	79%	0.794	69%	0.687	S	S	*	*			trans	-173	51.8	-177.8	0	0	0	0	0	120.3
388	T	41.2	Very low	32.7	Very low	116 Å²	116	122 Å²	122	71%	0.712	69%	0.689	S	S	*	*	S	Bend	cis	-171.1	138.1	-10.8	41	0	0	0	0	107
389	T	41.4	Very low	32.5	Very low	113 Å²	113	120.6 Å²	120.6	69%	0.693	69%	0.686	S	S	*	*			cis	-168.2	106.8	-24.1	37	0	0	0	0	103.5
390	D	33.6	Very low	32.1	Very low	134 Å²	134	120.8 Å²	120.8	72%	0.717	69%	0.685	S	S	*	*			cis	88.8	148.7	30.8	-162.4	29.5	0	0	0	115.3
391	S	29.7	Very low	31.6	Very low	92 Å²	92	120 Å²	120	64%	0.643	68%	0.677	S	S	*	*			trans	70.3	93.6	-172.3	-62.3	0	0	0	0	116.2
392	K	31	Very low	31.9	Very low	162 Å²	162	118.5 Å²	118.5	70%	0.704	66%	0.662	S	S	*	*				80.2	158.9	70.5	-68.8	165.6	-176.1	161.1	0	114.8
393	D	26.6	Very low	31.1	Very low	121 Å²	121	116.9 Å²	116.9	65%	0.647	68%	0.675	S	S	*	*			trans	85	102.5	150.7	-62.2	-20.4	0	0	0	122.8
394	F	25.5	Very low	31	Very low	139 Å²	139	117 Å²	117	61%	0.61	67%	0.673	S	S	*	*			trans	61.6	111.3	142.9	-49.5	-59.2	0	0	0	122.4	I396	F394-I396 PolarHBondContact O-N 2.8Å
395	P	32.7	Very low	31.1	Very low	136 Å²	136	115.4 Å²	115.4	88%	0.883	68%	0.677	S	S	*	*			trans	-73.7	102.8	155.7	30.4	-31.7	0	0	0	111
396	I	32.3	Very low	31.1	Very low	137 Å²	137	117.7 Å²	117.7	70%	0.703	68%	0.684	S	S	*	*			trans	-55.4	144	-171.6	-70.5	160.5	0	0	0	115.2	F394	F394-I396 PolarHBondContact O-N 2.8Å
397	F	26.2	Very low	31	Very low	162 Å²	162	118.4 Å²	118.4	71%	0.711	69%	0.686	S	S	*	*			trans	-68.5	128.5	166.3	-81.3	-98	0	0	0	111.4
398	S	28.7	Very low	31.1	Very low	112 Å²	112	117.5 Å²	117.5	78%	0.783	67%	0.671	S	S	*	*			trans	-155.6	93.2	163.4	-79.8	0	0	0	0	109.4
399	N	27.2	Very low	30.5	Very low	103 Å²	103	115 Å²	115	55%	0.551	66%	0.656	S	S	*	*			trans	-85.9	178.1	178.4	-70.8	-38.8	0	0	0	111.2	E401	N399-E401 PolarHBondContact O-N 3.04Å
400	V	29.9	Very low	30	Very low	110 Å²	110	113.7 Å²	113.7	67%	0.667	65%	0.646	S	S	*	*				17	108.9	127.4	-177.9	0	0	0	0	112.8
401	E	28.6	Very low	30	Very low	121 Å²	121	113.3 Å²	113.3	57%	0.565	64%	0.643	S	S	*	*				-162.9	-177.8	51.7	-119.4	158.1	-131.9	0	0	109.1	N399 A408	N399-E401 PolarHBondContact O-N 3.04Å; E401-A408 HydrophobicContact CB-CB 4.12Å
402	Q	35.5	Very low	30.1	Very low	75 Å²	75	115.7 Å²	115.7	35%	0.35	64%	0.644	S	S	.	*			cis	-159.7	144	21.2	-140.6	158.4	51.7	0	0	109.2	P407 P409	Q402-P407 PolarHBondContact OE1-O 3.14Å; Q402-P409 VanDerWaalsContact NE2-CD 3.32Å
403	S	30.5	Very low	30.3	Very low	130 Å²	130	112.2 Å²	112.2	91%	0.909	64%	0.638	S	S	*	*	S	Bend	trans	-107.7	47.5	172.5	67.5	0	0	0	0	112.8
404	T	33.5	Very low	30.4	Very low	100 Å²	100	113 Å²	113	61%	0.613	64%	0.637	S	S	*	*	S	Bend	trans	-125.9	150.7	145	50.3	0	0	0	0	106.7	F406	T404-F406 PolarHBondContact O-N 2.96Å
405	G	31	Very low	30.7	Very low	69 Å²	69	109.3 Å²	109.3	71%	0.711	62%	0.623	S	S	*	*	S	Bend	trans	-64.1	109.7	177.5	0	0	0	0	0	111.1
406	F	28.6	Very low	30.9	Very low	172 Å²	172	110.4 Å²	110.4	75%	0.754	62%	0.62	S	S	*	*	S	Bend	trans	68.2	147.2	173.6	-48.1	-90.6	0	0	0	116.6	T404	T404-F406 PolarHBondContact O-N 2.96Å
407	P	28.7	Very low	30.8	Very low	105 Å²	105	106.8 Å²	106.8	68%	0.682	61%	0.607	S	S	*	*			cis	-123.9	148.3	-36.9	36.9	-23.8	0	0	0	112.9	Q402	Q402-P407 PolarHBondContact OE1-O 3.14Å
408	A	30.1	Very low	31.1	Very low	58 Å²	58	108.9 Å²	108.9	48%	0.479	61%	0.61	S	S	.	*			trans	-67.1	133.8	-175.4	0	0	0	0	0	113.3	E401	E401-A408 HydrophobicContact CB-CB 4.12Å
409	P	29.3	Very low	31.2	Very low	63 Å²	63	111.8 Å²	111.8	41%	0.409	61%	0.612	S	S	.	*			trans	-96.3	137.7	-178.3	35	-34.1	0	0	0	114.4	Q402	Q402-P409 VanDerWaalsContact NE2-CD 3.32Å
410	N	31.4	Very low	31.6	Very low	87 Å²	87	115 Å²	115	47%	0.465	63%	0.625	S	S	.	*			trans	59.1	64.3	145.6	-79.7	-89.2	0	0	0	118.2	N440	N410-N440 VanDerWaalsContact CA-OD1 3.26Å; N410-N440 WeakPolarHBondContact CA-OD1 3.45Å; N410-N440 PolarHBondContact N-OD1 2.83Å; N410-N440 PolarHBondContact ND2-O 3.08Å; N410-N440 WeakPolarHBondContact OD1-CB 3.43Å
411	L	33	Very low	31.6	Very low	125 Å²	125	114.1 Å²	114.1	65%	0.654	62%	0.624	S	S	*	*			trans	-132.7	91.1	147.9	-84.7	107.7	0	0	0	110.9
412	E	31.1	Very low	31.6	Very low	142 Å²	142	112.6 Å²	112.6	66%	0.664	63%	0.627	S	S	*	*			trans	158.7	156.8	143.2	-93.9	-177.7	-169.8	0	0	110.9	N440	E412-N440 PolarHBondContact O-ND2 3.29Å
413	P	35.6	Very low	31.2	Very low	90 Å²	90	116.3 Å²	116.3	58%	0.584	65%	0.649	S	S	*	*			cis	-113.3	169.9	-25.1	38.7	-28.2	0	0	0	110.9	I415	P413-I415 PolarHBondContact O-N 3.19Å
414	H	28.1	Very low	31.1	Very low	136 Å²	136	120.4 Å²	120.4	63%	0.63	65%	0.646	S	S	*	*	S	Bend	trans	-83.3	15.2	178.5	-143.9	-14.8	0	0	0	114	R369	R369-H414 VanDerWaalsContact CD-O 3.25Å; R369-H414 WeakPolarHBondContact CD-O 3.44Å; R369-H414 HydrophobicContact CG-CB 4.09Å; R369-H414 VanDerWaalsContact CG-O 3.29Å; R369-H414 WeakPolarHBondContact CG-O 3.42Å; R369-H414 PolarHBondContact NH2-CD2 3.09Å; R369-H414 PolarHBondContact NH2-CE1 3.41Å; R369-H414 PolarHBondContact NH2-ND1 3.46Å; R369-H414 PolarHBondContact NH2-NE2 2.99Å
415	I	32.1	Very low	30.8	Very low	63 Å²	63	121.7 Å²	121.7	32%	0.323	65%	0.649	S	S	.	*			trans	-120.6	90.5	-170	-55	160.1	0	0	0	109.1	R369 V370 P413	R369-I415 HydrophobicContact CG-CG1 3.92Å; V370-I415 VanDerWaalsContact O-CD1 3.24Å; V370-I415 WeakPolarHBondContact O-CD1 3.43Å; V370-I415 WeakPolarHBondContact O-CG1 3.09Å; V370-I415 WeakPolarHBondContact O-CG2 3.27Å; P413-I415 PolarHBondContact O-N 3.19Å
416	I	38	Very low	30.6	Very low	158 Å²	158	121.6 Å²	121.6	81%	0.81	64%	0.637	S	S	*	*			trans	-171.4	125.4	147	-94.8	147.5	0	0	0	105.7
417	S	30	Very low	30.6	Very low	62 Å²	62	123.2 Å²	123.2	43%	0.434	64%	0.639	S	S	.	*			trans	-163.8	127.9	173.1	-75.6	0	0	0	0	106.2	W371	W371-S417 WeakPolarHBondContact CZ2-O 3.44Å; W371-S417 PolarHBondContact NE1-O 2.87Å; W371-S417 VanDerWaalsContact NE1-O 3.08Å
418	R	32	Very low	30.8	Very low	205 Å²	205	126.7 Å²	126.7	77%	0.774	65%	0.648	S	S	*	*			trans	63.1	130.9	-177	-24.6	-173.7	-164.5	-152.4	1.7	112.1	W371	W371-R418 HydrophobicContact CH2-CG 4.14Å; W371-R418 HydrophobicContact CZ2-CB 4.14Å; W371-R418 HydrophobicContact CZ2-CG 3.96Å
419	Q	31.9	Very low	30.7	Very low	174 Å²	174	127.6 Å²	127.6	81%	0.813	66%	0.655	S	S	*	*			cis	-143.4	-173.8	11.8	-62.2	176.9	1.4	0	0	110.4
420	M	35.1	Very low	30.6	Very low	169 Å²	169	131.5 Å²	131.5	83%	0.833	67%	0.673	S	S	*	*			trans	89.6	84.8	164.5	-44.8	-148.8	84.7	0	0	119.5
421	S	28.8	Very low	30.7	Very low	92 Å²	92	136.2 Å²	136.2	64%	0.643	69%	0.689	S	S	*	*				45.8	108.8	123.8	58.3	0	0	0	0	122.4
422	S	28.9	Very low	30.6	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	69%	0.685	S	S	*	*				28.8	112	127.1	59.9	0	0	0	0	120.5
423	N	27.6	Very low	30.5	Very low	153 Å²	153	138.5 Å²	138.5	82%	0.818	69%	0.689	S	S	*	*				172.8	97.8	114.2	-87.5	-7.9	0	0	0	111.7
424	Y	28.8	Very low	30.1	Very low	216 Å²	216	138.7 Å²	138.7	85%	0.847	68%	0.682	S	S	*	*			trans	-156.5	162.4	135.3	-112.5	-78.6	0	0	0	108
425	D	26.7	Very low	30.3	Very low	128 Å²	128	136.8 Å²	136.8	68%	0.684	68%	0.684	S	S	*	*			trans	-120.7	139.1	-143.7	-131.7	-32.9	0	0	0	115.2
426	S	26.2	Very low	30.2	Very low	66 Å²	66	140.5 Å²	140.5	46%	0.462	71%	0.705	S	S	.	*			trans	-74.8	141.1	178.5	-74	0	0	0	0	112.7
427	R	30.3	Very low	29.8	Very low	207 Å²	207	141.3 Å²	141.3	78%	0.781	71%	0.705	S	S	*	*			trans	-155.8	122.5	145.2	-124.3	153	-85.5	-154	-1.5	114.9
428	M	31.5	Very low	29.8	Very low	178 Å²	178	145.5 Å²	145.5	88%	0.877	73%	0.727	S	S	*	*	S	Bend	trans	68.8	115.2	164.9	-46.2	-174	-170.4	0	0	118
429	A	27.8	Very low	29.7	Very low	77 Å²	77	138.2 Å²	138.2	64%	0.636	72%	0.717	S	S	*	*	S	Bend	cis	-165.2	136.8	-23.5	0	0	0	0	0	106.7
430	N	28.7	Very low	29.6	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	70%	0.696	S	S	*	*	S	Bend	cis	-137	148.3	-2.1	-95.3	-47.2	0	0	0	108.7
431	K	33.3	Very low	29.9	Very low	186 Å²	186	132.2 Å²	132.2	81%	0.809	69%	0.693	S	S	*	*			trans	89.2	90.9	-172.4	-55	165.6	-177.8	174.3	0	114.5
432	H	30	Very low	30.3	Very low	124 Å²	124	131.5 Å²	131.5	57%	0.574	70%	0.7	S	S	*	*			trans	-134.4	145.2	159.9	-84.7	-93.2	0	0	0	110	M445	H432-M445 VanDerWaalsContact NE2-CE 3.26Å; H432-M445 WeakPolarHBondContact NE2-CE 3.35Å
433	Y	28.9	Very low	30.8	Very low	191 Å²	191	132.8 Å²	132.8	75%	0.749	70%	0.704	S	S	*	*			trans	-149	122.8	157.2	168.5	-113.7	0	0	0	106.3
434	E	27.4	Very low	31.3	Very low	93 Å²	93	130.3 Å²	130.3	44%	0.435	69%	0.694	S	S	.	*			trans	-89.7	147.3	-177.4	-68.5	154.8	100.7	0	0	111.7
435	S	33	Very low	31.8	Very low	96 Å²	96	126 Å²	126	67%	0.671	68%	0.684	S	S	*	*			trans	-165.6	124.4	143	-75.2	0	0	0	0	107.2
436	D	28.8	Very low	32.8	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	68%	0.681	S	S	*	*			trans	-68.1	137.8	-173.7	-67.5	-75.7	0	0	0	113.3
437	H	30	Very low	33.4	Very low	175 Å²	175	127.6 Å²	127.6	81%	0.81	69%	0.691	S	S	*	*				177.2	110.3	110.6	-84.3	-46.4	0	0	0	111.7	G439	H437-G439 PolarHBondContact O-N 3.41Å
438	V	30.1	Very low	34	Very low	150 Å²	150	125.3 Å²	125.3	91%	0.909	69%	0.694	S	S	*	*	S	Bend	trans	47.9	65.4	150.9	-160.4	0	0	0	0	116.7
439	G	29.4	Very low	34.7	Very low	53 Å²	53	123 Å²	123	55%	0.546	69%	0.685	S	S	.	*			trans	167.7	171.9	162.2	0	0	0	0	0	116.8	H437 L441	H437-G439 PolarHBondContact O-N 3.41Å; G439-L441 PolarHBondContact O-N 3.14Å; G439-L441 VanDerWaalsContact O-N 3.12Å
440	N	31	Very low	36	Very low	72 Å²	72	124.2 Å²	124.2	39%	0.385	69%	0.685	S	S	.	*			trans	64.7	16.3	146.2	-70.8	-17.8	0	0	0	121.1	N410 E412	N410-N440 VanDerWaalsContact CA-OD1 3.26Å; N410-N440 WeakPolarHBondContact CA-OD1 3.45Å; N410-N440 PolarHBondContact N-OD1 2.83Å; N410-N440 PolarHBondContact ND2-O 3.08Å; N410-N440 WeakPolarHBondContact OD1-CB 3.43Å; E412-N440 PolarHBondContact O-ND2 3.29Å
441	L	39.8	Very low	37.4	Very low	145 Å²	145	122.1 Å²	122.1	76%	0.759	68%	0.681	S	S	*	*			trans	-103	25.9	-174.8	-121.7	165.1	0	0	0	117.1	G439 T443	G439-L441 PolarHBondContact O-N 3.14Å; G439-L441 VanDerWaalsContact O-N 3.12Å; L441-T443 PolarHBondContact O-N 2.79Å
442	G	37.1	Very low	38.8	Very low	77 Å²	77	121.7 Å²	121.7	79%	0.794	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	3.3	-173.2	0	0	0	0	0	118.3
443	T	41.2	Very low	41.4	Very low	115 Å²	115	117.9 Å²	117.9	71%	0.706	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-2.7	-165.2	-46.5	0	0	0	0	114.4	L441	L441-T443 PolarHBondContact O-N 2.79Å
444	V	37	Very low	44.2	Very low	101 Å²	101	113.9 Å²	113.9	61%	0.612	65%	0.651	S	S	*	*	S	Bend	trans	-133.1	60.1	-172.4	-163.9	0	0	0	0	112.7
445	M	39.8	Very low	47.1	Very low	127 Å²	127	116.7 Å²	116.7	63%	0.626	66%	0.658	S	S	*	*			trans	-169.4	127.2	143.7	-107.2	177.5	-171.4	0	0	110.1	H432	H432-M445 VanDerWaalsContact NE2-CE 3.26Å; H432-M445 WeakPolarHBondContact NE2-CE 3.35Å
446	I	48.4	Very low	50	Low	125 Å²	125	112.8 Å²	112.8	64%	0.641	63%	0.63	S	S	*	*			trans	-127.7	104.2	174.5	-63.6	175.9	0	0	0	107.6
447	P	38	Very low	52.7	Low	101 Å²	101	112.5 Å²	112.5	66%	0.656	63%	0.629	S	S	*	*			trans	-63	143.7	149.4	-13.3	29.8	0	0	0	108.5	D449	P447-D449 PolarHBondContact O-N 3.27Å
448	N	42.3	Very low	55.2	Low	159 Å²	159	105 Å²	105	85%	0.85	59%	0.594	S	S	*	*			trans	-76.2	55.5	-172.6	-72	-53.9	0	0	0	113.9	V450	N448-V450 PolarHBondContact O-N 2.73Å
449	D	47.3	Very low	57.6	Low	129 Å²	129	101.1 Å²	101.1	69%	0.69	57%	0.573	S	S	*	*			trans	-68.4	120.9	166.4	-90.5	-41.9	0	0	0	110.2	P447 S451	P447-D449 PolarHBondContact O-N 3.27Å; D449-S451 PolarHBondContact O-N 3.13Å
450	V	53.9	Low	59.9	Low	104 Å²	104	102.3 Å²	102.3	63%	0.63	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-63.3	-12.1	-174.9	-174.8	0	0	0	0	112.7	N448 K452 S453	N448-V450 PolarHBondContact O-N 2.73Å; V450-K452 PolarHBondContact O-N 2.98Å; V450-S453 PolarHBondContact O-OG 3.1Å
451	S	58.3	Low	62.6	Low	100 Å²	100	99.5 Å²	99.5	70%	0.699	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-75.9	-12.7	-164.9	61.6	0	0	0	0	117	D449	D449-S451 PolarHBondContact O-N 3.13Å
452	K	62.9	Low	64.8	Low	177 Å²	177	99.9 Å²	99.9	77%	0.77	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-128.6	36.3	176.5	-69.9	-174.8	179.6	174.5	0	113.6	V450	V450-K452 PolarHBondContact O-N 2.98Å
453	S	84	Confident	67.2	Low	45 Å²	45	100.8 Å²	100.8	32%	0.315	56%	0.557	S	S	.	*			trans	-95.1	122.4	173.5	60.3	0	0	0	0	112	V450 R455	V450-S453 PolarHBondContact O-OG 3.1Å; S453-R455 PolarHBondContact O-N 2.99Å
454	Y	87.8	Confident	69.6	Low	107 Å²	107	97.9 Å²	97.9	42%	0.42	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	97.4	176.2	-62.6	-84.4	0	0	0	109.4	F465 V468	Y454-F465 WeakPolarHBondContact CB-O 3.42Å; Y454-F465 WeakPolarHBondContact CD2-O 3.34Å; Y454-F465 PolarHBondContact N-O 3.15Å; Y454-F465 PolarHBondContact O-N 3.28Å; Y454-V468 HydrophobicContact CD1-CG2 3.66Å; Y454-V468 HydrophobicContact CD2-CG2 4.44Å; Y454-V468 HydrophobicContact CE1-CG2 3.32Å; Y454-V468 HydrophobicContact CE2-CG2 4.16Å; Y454-V468 HydrophobicContact CG-CG2 4.21Å
455	R	88.6	Confident	72.2	Confident	151 Å²	151	95 Å²	95	57%	0.57	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	160.1	177.2	-58	-173.2	-176.3	-155.1	0.5	111.2	S453 Q463 A464 L471	S453-R455 PolarHBondContact O-N 2.99Å; R455-Q463 WeakPolarHBondContact CA-O 3.09Å; R455-A464 HydrophobicContact CG-CB 4.13Å; R455-L471 VanDerWaalsContact O-CD2 3.27Å; R455-L471 WeakPolarHBondContact O-CD2 3.27Å
456	C	93.4	Very high	74.5	Confident	14 Å²	14	95.1 Å²	95.1	10%	0.095	52%	0.522	C	S	.	.			trans	-77.2	124.9	170.8	-154.5	0	0	0	0	111.1	I458 C461 Q463 L471 H479	C456-I458 PolarHBondContact O-N 3.11Å; C456-C461 HydrophobicContact CB-CB 4.49Å; C456-C461 WeakPolarHBondContact CB-O 3.28Å; C456-Q463 PolarHBondContact N-O 3.16Å; C456-L471 HydrophobicContact CB-CD1 4.08Å; C456-H479 PolarHBondContact SG-NE2 3.02Å
457	D	87	Confident	76.4	Confident	136 Å²	136	91.1 Å²	91.1	73%	0.727	51%	0.506	S	S	*	.	S	Bend	trans	-72.2	18.7	176.3	-58.7	-51.5	0	0	0	113.5
458	I	81.8	Confident	78.8	Confident	16 Å²	16	90.1 Å²	90.1	8%	0.082	50%	0.498	C	S	.	.	S	Bend	trans	-117.1	112.4	-171.5	-60.5	179.3	0	0	0	107.4	Q157 E158 V159 C456 C461 I475 H479	Q157-I458 HydrophobicContact CG-CB 4.34Å; Q157-I458 HydrophobicContact CG-CG1 4.26Å; Q157-I458 HydrophobicContact CG-CG2 3.85Å; E158-I458 HydrophobicContact CB-CG2 4.34Å; E158-I458 HydrophobicContact CG-CG2 3.89Å; V159-I458 HydrophobicContact CG2-CG2 4.16Å; C456-I458 PolarHBondContact O-N 3.11Å; I458-C461 WeakPolarHBondContact O-CB 3.42Å; I458-C461 PolarHBondContact O-N 3.43Å; I458-I475 HydrophobicContact CD1-CG1 4.44Å; I458-H479 HydrophobicContact CD1-CB 3.6Å; I458-H479 VanDerWaalsContact CD1-CG 3.44Å; I458-H479 VanDerWaalsContact CD1-ND1 3.33Å; I458-H479 WeakPolarHBondContact CD1-ND1 3.45Å; I458-H479 WeakPolarHBondContact CG2-ND1 3.31Å
459	P	79.9	Confident	80.9	Confident	70 Å²	70	89.9 Å²	89.9	46%	0.455	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	152.3	-175.7	27.3	-34.9	0	0	0	111.3	Q157 C461	Q157-P459 HydrophobicContact CG-CG 4.43Å; P459-C461 PolarHBondContact O-N 2.79Å
460	G	78.8	Confident	82.9	Confident	78 Å²	78	89.5 Å²	89.5	80%	0.804	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	7.1	-170.7	0	0	0	0	0	114.5
461	C	88	Confident	84.7	Confident	13 Å²	13	85.3 Å²	85.3	9%	0.088	45%	0.453	C	S	.	.			trans	-135.8	83.3	179.3	-161.7	0	0	0	0	113.1	V159 C456 I458 P459 Q463 H474 H479	V159-C461 HydrophobicContact CG2-CB 4.41Å; C456-C461 HydrophobicContact CB-CB 4.49Å; C456-C461 WeakPolarHBondContact CB-O 3.28Å; I458-C461 WeakPolarHBondContact O-CB 3.42Å; I458-C461 PolarHBondContact O-N 3.43Å; P459-C461 PolarHBondContact O-N 2.79Å; C461-Q463 PolarHBondContact O-N 3.09Å; C461-H474 VanDerWaalsContact SG-CE1 3.53Å; C461-H474 PolarHBondContact SG-NE2 3.31Å; C461-H479 VanDerWaalsContact SG-CE1 3.54Å
462	D	85.9	Confident	86.1	Confident	153 Å²	153	83.3 Å²	83.3	82%	0.818	44%	0.439	S	S	*	.			trans	-74.2	20.1	-177.7	-56.8	-67.5	0	0	0	114.9
463	Q	87.3	Confident	87.2	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	42%	0.416	S	S	.	.			trans	-69.7	131.7	-179.4	-69.4	-65.9	-13.9	0	0	111.5	R455 C456 C461 F465	R455-Q463 WeakPolarHBondContact CA-O 3.09Å; C456-Q463 PolarHBondContact N-O 3.16Å; C461-Q463 PolarHBondContact O-N 3.09Å; Q463-F465 HydrophobicContact CB-CE2 3.76Å; Q463-F465 HydrophobicContact CB-CZ 3.9Å
464	A	90.3	Very high	87.3	Confident	53 Å²	53	76.1 Å²	76.1	44%	0.438	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.1	-174.4	0	0	0	0	0	111.6	R455	R455-A464 HydrophobicContact CG-CB 4.13Å
465	F	91.6	Very high	87.2	Confident	42 Å²	42	73.1 Å²	73.1	18%	0.184	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.2	-171.6	-58.8	-84.2	0	0	0	111.9	Y454 Q463 S467 L471 H474	Y454-F465 WeakPolarHBondContact CB-O 3.42Å; Y454-F465 WeakPolarHBondContact CD2-O 3.34Å; Y454-F465 PolarHBondContact N-O 3.15Å; Y454-F465 PolarHBondContact O-N 3.28Å; Q463-F465 HydrophobicContact CB-CE2 3.76Å; Q463-F465 HydrophobicContact CB-CZ 3.9Å; F465-S467 PolarHBondContact O-N 3.12Å; F465-L471 HydrophobicContact CB-CB 4.28Å; F465-L471 HydrophobicContact CD2-CB 3.86Å; F465-L471 HydrophobicContact CD2-CD1 3.9Å; F465-L471 HydrophobicContact CD2-CG 4.5Å; F465-L471 HydrophobicContact CE2-CD1 4.13Å; F465-L471 HydrophobicContact CG-CB 4.29Å; F465-H474 HydrophobicContact CE1-CB 4.1Å; F465-H474 HydrophobicContact CE2-CB 3.66Å; F465-H474 AromaticContact CE2-CD2 3.45Å; F465-H474 VanDerWaalsContact CE2-CD2 3.45Å; F465-H474 WeakPolarHBondContact CE2-CD2 3.29Å; F465-H474 AromaticContact CE2-CG 3.56Å; F465-H474 HydrophobicContact CZ-CB 3.38Å; F465-H474 AromaticContact CZ-CD2 3.77Å; F465-H474 AromaticContact CZ-CG 3.39Å; F465-H474 AromaticContact CZ-ND1 3.84Å
466	H	88.2	Confident	87	Confident	128 Å²	128	70 Å²	70	59%	0.593	39%	0.386	S	S	*	.	S	Bend	trans	-77.8	1.9	175.4	61.8	-94.7	0	0	0	113.6	Y470	H466-Y470 AromaticContact CE1-CD2 3.72Å; H466-Y470 AromaticContact CE1-CE2 3.78Å; H466-Y470 AromaticContact NE2-CD2 3.36Å; H466-Y470 WeakPolarHBondContact NE2-CD2 3.19Å; H466-Y470 AromaticContact NE2-CE2 3.23Å; H466-Y470 WeakPolarHBondContact NE2-CE2 3.18Å
467	S	88.2	Confident	86.5	Confident	41 Å²	41	70.9 Å²	70.9	29%	0.287	39%	0.39	S	S	.	.	S	Bend	trans	-156.7	142.9	176.7	-178.7	0	0	0	0	112.4	F465 K469 Y470 L471	F465-S467 PolarHBondContact O-N 3.12Å; S467-K469 PolarHBondContact O-N 3.47Å; S467-K469 VanDerWaalsContact O-N 3.12Å; S467-K469 PolarHBondContact OG-N 3.43Å; S467-Y470 PolarHBondContact O-N 3.28Å; S467-L471 PolarHBondContact O-N 3.36Å; S467-L471 VanDerWaalsContact O-N 3.09Å
468	V	88.8	Confident	86.2	Confident	81 Å²	81	64.6 Å²	64.6	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-49.9	-33.8	169.5	-174.5	0	0	0	0	112.1	Y454 Y470 L471 S472	Y454-V468 HydrophobicContact CD1-CG2 3.66Å; Y454-V468 HydrophobicContact CD2-CG2 4.44Å; Y454-V468 HydrophobicContact CE1-CG2 3.32Å; Y454-V468 HydrophobicContact CE2-CG2 4.16Å; Y454-V468 HydrophobicContact CG-CG2 4.21Å; V468-Y470 PolarHBondContact O-N 3.46Å; V468-L471 PolarHBondContact O-N 2.79Å; V468-S472 VanDerWaalsContact O-CB 3.22Å; V468-S472 WeakPolarHBondContact O-CB 3.47Å; V468-S472 PolarHBondContact O-N 3.41Å
469	K	87.7	Confident	86.1	Confident	153 Å²	153	64.5 Å²	64.5	67%	0.665	36%	0.356	S	S	*	.	H	α-helix	trans	-64	-38.9	178.8	-173.8	175.9	-179.1	177.8	0	112.3	S467 N473	S467-K469 PolarHBondContact O-N 3.47Å; S467-K469 VanDerWaalsContact O-N 3.12Å; S467-K469 PolarHBondContact OG-N 3.43Å; K469-N473 WeakPolarHBondContact O-CB 3.46Å; K469-N473 VanDerWaalsContact O-CG 3.31Å; K469-N473 PolarHBondContact O-N 2.92Å; K469-N473 VanDerWaalsContact O-N 3.11Å; K469-N473 PolarHBondContact O-ND2 2.8Å
470	Y	88.3	Confident	86	Confident	121 Å²	121	68.7 Å²	68.7	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-78.2	-39.1	176.9	-69.4	-67	0	0	0	111.6	H466 S467 V468 S472 N473 H474	H466-Y470 AromaticContact CE1-CD2 3.72Å; H466-Y470 AromaticContact CE1-CE2 3.78Å; H466-Y470 AromaticContact NE2-CD2 3.36Å; H466-Y470 WeakPolarHBondContact NE2-CD2 3.19Å; H466-Y470 AromaticContact NE2-CE2 3.23Å; H466-Y470 WeakPolarHBondContact NE2-CE2 3.18Å; S467-Y470 PolarHBondContact O-N 3.28Å; V468-Y470 PolarHBondContact O-N 3.46Å; Y470-S472 PolarHBondContact O-N 3Å; Y470-N473 PolarHBondContact O-N 2.97Å; Y470-H474 WeakPolarHBondContact O-CB 3.12Å; Y470-H474 PolarHBondContact O-N 3.47Å
471	L	91.5	Very high	85.1	Confident	16 Å²	16	70.5 Å²	70.5	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-45.5	171.2	173.9	60.4	0	0	0	111.9	R455 C456 F465 S467 V468 N473 H474 I475	R455-L471 VanDerWaalsContact O-CD2 3.27Å; R455-L471 WeakPolarHBondContact O-CD2 3.27Å; C456-L471 HydrophobicContact CB-CD1 4.08Å; F465-L471 HydrophobicContact CB-CB 4.28Å; F465-L471 HydrophobicContact CD2-CB 3.86Å; F465-L471 HydrophobicContact CD2-CD1 3.9Å; F465-L471 HydrophobicContact CD2-CG 4.5Å; F465-L471 HydrophobicContact CE2-CD1 4.13Å; F465-L471 HydrophobicContact CG-CB 4.29Å; S467-L471 PolarHBondContact O-N 3.36Å; S467-L471 VanDerWaalsContact O-N 3.09Å; V468-L471 PolarHBondContact O-N 2.79Å; L471-N473 VanDerWaalsContact C-N 3.35Å; L471-N473 PolarHBondContact O-N 3.44Å; L471-H474 CarbonylContact O-C 3.28Å; L471-H474 WeakPolarHBondContact O-CB 3.45Å; L471-H474 PolarHBondContact O-N 2.78Å; L471-H474 VanDerWaalsContact O-N 3.13Å; L471-I475 HydrophobicContact CD1-CD1 3.85Å; L471-I475 HydrophobicContact CD1-CG1 4Å; L471-I475 HydrophobicContact CD2-CD1 4.43Å; L471-I475 HydrophobicContact CG-CD1 3.86Å; L471-I475 HydrophobicContact CG-CG1 4.41Å; L471-I475 WeakPolarHBondContact O-CG1 3.5Å; L471-I475 PolarHBondContact O-N 2.71Å
472	S	87.1	Confident	84.1	Confident	58 Å²	58	71.9 Å²	71.9	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-38.3	178	-173.8	0	0	0	0	112.1	V468 Y470 K476	V468-S472 VanDerWaalsContact O-CB 3.22Å; V468-S472 WeakPolarHBondContact O-CB 3.47Å; V468-S472 PolarHBondContact O-N 3.41Å; Y470-S472 PolarHBondContact O-N 3Å; S472-K476 VanDerWaalsContact O-CB 3.28Å; S472-K476 WeakPolarHBondContact O-CB 3.46Å; S472-K476 PolarHBondContact O-N 3.37Å; S472-K476 VanDerWaalsContact O-N 3.07Å
473	N	85.8	Confident	83.4	Confident	55 Å²	55	71.9 Å²	71.9	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-39.6	170.9	-78.9	-23.7	0	0	0	111.6	K469 Y470 L471 K476 D477	K469-N473 WeakPolarHBondContact O-CB 3.46Å; K469-N473 VanDerWaalsContact O-CG 3.31Å; K469-N473 PolarHBondContact O-N 2.92Å; K469-N473 VanDerWaalsContact O-N 3.11Å; K469-N473 PolarHBondContact O-ND2 2.8Å; Y470-N473 PolarHBondContact O-N 2.97Å; L471-N473 VanDerWaalsContact C-N 3.35Å; L471-N473 PolarHBondContact O-N 3.44Å; N473-K476 CarbonylContact O-C 3.58Å; N473-K476 PolarHBondContact O-N 2.62Å; N473-D477 WeakPolarHBondContact O-CA 2.98Å; N473-D477 WeakPolarHBondContact O-CB 2.95Å; N473-D477 PolarHBondContact O-N 3.28Å
474	H	88	Confident	83.1	Confident	16 Å²	16	73.3 Å²	73.3	7%	0.074	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-47.6	174.6	167.7	73.4	0	0	0	112.7	C461 F465 Y470 L471 K476 D477 S478 H479	C461-H474 VanDerWaalsContact SG-CE1 3.53Å; C461-H474 PolarHBondContact SG-NE2 3.31Å; F465-H474 HydrophobicContact CE1-CB 4.1Å; F465-H474 HydrophobicContact CE2-CB 3.66Å; F465-H474 AromaticContact CE2-CD2 3.45Å; F465-H474 VanDerWaalsContact CE2-CD2 3.45Å; F465-H474 WeakPolarHBondContact CE2-CD2 3.29Å; F465-H474 AromaticContact CE2-CG 3.56Å; F465-H474 HydrophobicContact CZ-CB 3.38Å; F465-H474 AromaticContact CZ-CD2 3.77Å; F465-H474 AromaticContact CZ-CG 3.39Å; F465-H474 AromaticContact CZ-ND1 3.84Å; Y470-H474 WeakPolarHBondContact O-CB 3.12Å; Y470-H474 PolarHBondContact O-N 3.47Å; L471-H474 CarbonylContact O-C 3.28Å; L471-H474 WeakPolarHBondContact O-CB 3.45Å; L471-H474 PolarHBondContact O-N 2.78Å; L471-H474 VanDerWaalsContact O-N 3.13Å; H474-K476 PolarHBondContact O-N 2.79Å; H474-D477 PolarHBondContact O-N 2.92Å; H474-D477 VanDerWaalsContact O-N 3.16Å; H474-S478 PolarHBondContact ND1-OG 2.84Å; H474-S478 VanDerWaalsContact ND1-OG 3.16Å; H474-S478 WeakPolarHBondContact O-CA 3.47Å; H474-S478 WeakPolarHBondContact O-CB 3.17Å; H474-S478 PolarHBondContact O-N 2.59Å; H474-H479 AromaticContact CD2-CD2 3.96Å; H474-H479 AromaticContact CD2-NE2 3.58Å; H474-H479 AromaticContact CE1-NE2 3.36Å; H474-H479 PolarHBondContact CE1-NE2 3.16Å; H474-H479 AromaticContact NE2-CD2 3.69Å; H474-H479 AromaticContact NE2-CE1 3.97Å; H474-H479 AromaticContact NE2-NE2 2.89Å; H474-H479 PolarHBondContact NE2-NE2 3.1Å
475	I	84	Confident	82.8	Confident	45 Å²	45	73.1 Å²	73.1	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-54.7	-30.7	173	-68.9	169.6	0	0	0	111.2	I458 L471 H479	I458-I475 HydrophobicContact CD1-CG1 4.44Å; L471-I475 HydrophobicContact CD1-CD1 3.85Å; L471-I475 HydrophobicContact CD1-CG1 4Å; L471-I475 HydrophobicContact CD2-CD1 4.43Å; L471-I475 HydrophobicContact CG-CD1 3.86Å; L471-I475 HydrophobicContact CG-CG1 4.41Å; L471-I475 WeakPolarHBondContact O-CG1 3.5Å; L471-I475 PolarHBondContact O-N 2.71Å; I475-H479 CarbonylContact O-C 2.95Å; I475-H479 WeakPolarHBondContact O-CA 3.44Å; I475-H479 WeakPolarHBondContact O-CB 3.23Å; I475-H479 PolarHBondContact O-N 3.39Å
476	K	84.5	Confident	82.5	Confident	85 Å²	85	78.3 Å²	78.3	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-83.7	-44.2	176.5	-164.2	178.2	-69.8	178.6	0	113.4	S472 N473 H474 I482 R498 S913	S472-K476 VanDerWaalsContact O-CB 3.28Å; S472-K476 WeakPolarHBondContact O-CB 3.46Å; S472-K476 PolarHBondContact O-N 3.37Å; S472-K476 VanDerWaalsContact O-N 3.07Å; N473-K476 CarbonylContact O-C 3.58Å; N473-K476 PolarHBondContact O-N 2.62Å; H474-K476 PolarHBondContact O-N 2.79Å; K476-I482 HydrophobicContact CD-CD1 4.33Å; K476-I482 HydrophobicContact CG-CD1 3.43Å; K476-I482 VanDerWaalsContact CG-CD1 3.43Å; K476-I482 WeakPolarHBondContact O-CD1 3.37Å; K476-R498 VanDerWaalsContact CD-NH2 3.3Å; K476-R498 VanDerWaalsContact CG-NH2 3.33Å; K476-S913 PolarHBondContact O-OG 2.83Å
477	D	82.7	Confident	82.6	Confident	33 Å²	33	72.8 Å²	72.8	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-91.9	0.3	-172.6	-62	-4.7	0	0	0	113.1	N473 H474 R498 S911 C912 S913	N473-D477 WeakPolarHBondContact O-CA 2.98Å; N473-D477 WeakPolarHBondContact O-CB 2.95Å; N473-D477 PolarHBondContact O-N 3.28Å; H474-D477 PolarHBondContact O-N 2.92Å; H474-D477 VanDerWaalsContact O-N 3.16Å; D477-R498 IonicContact OD1-CZ 3.07Å; D477-R498 IonicContact OD1-NH1 2.72Å; D477-R498 PolarHBondContact OD1-NH1 3.46Å; D477-R498 IonicContact OD1-NH2 2.78Å; D477-R498 PolarHBondContact OD1-NH2 3.03Å; D477-R498 IonicContact OD2-NH1 3.66Å; D477-S911 VanDerWaalsContact CG-CA 3.48Å; D477-S911 VanDerWaalsContact CG-OG 3.25Å; D477-S911 WeakPolarHBondContact OD1-CB 3.34Å; D477-S911 PolarHBondContact OD1-OG 2.76Å; D477-S911 WeakPolarHBondContact OD2-CA 3.18Å; D477-C912 CarbonylContact O-C 3.45Å; D477-C912 WeakPolarHBondContact O-CA 3.45Å; D477-S913 PolarHBondContact O-OG 3.31Å
478	S	80.6	Confident	82.5	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.028	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-56.3	171.9	-62.9	0	0	0	0	109.8	V159 P160 E161 H474 R480 S913 V914	V159-S478 CarbonylContact C-O 3.05Å; P160-S478 VanDerWaalsContact CA-O 3.24Å; P160-S478 WeakPolarHBondContact CA-O 3.34Å; E161-S478 WeakPolarHBondContact CG-OG 3.07Å; H474-S478 PolarHBondContact ND1-OG 2.84Å; H474-S478 VanDerWaalsContact ND1-OG 3.16Å; H474-S478 WeakPolarHBondContact O-CA 3.47Å; H474-S478 WeakPolarHBondContact O-CB 3.17Å; H474-S478 PolarHBondContact O-N 2.59Å; S478-R480 PolarHBondContact O-N 3.09Å; S478-S913 PolarHBondContact N-OG 3.15Å; S478-S913 WeakPolarHBondContact O-CA 3.33Å; S478-S913 WeakPolarHBondContact O-CB 3.28Å; S478-S913 PolarHBondContact O-OG 2.92Å; S478-V914 PolarHBondContact O-N 3.36Å
479	H	81.4	Confident	82.2	Confident	13 Å²	13	69.6 Å²	69.6	6%	0.06	32%	0.32	C	S	.	.	S	Bend	trans	-98.4	26.7	-161.5	-51.9	-105.6	0	0	0	115.5	V159 C456 I458 C461 H474 I475	V159-H479 PolarHBondContact N-ND1 2.81Å; C456-H479 PolarHBondContact SG-NE2 3.02Å; I458-H479 HydrophobicContact CD1-CB 3.6Å; I458-H479 VanDerWaalsContact CD1-CG 3.44Å; I458-H479 VanDerWaalsContact CD1-ND1 3.33Å; I458-H479 WeakPolarHBondContact CD1-ND1 3.45Å; I458-H479 WeakPolarHBondContact CG2-ND1 3.31Å; C461-H479 VanDerWaalsContact SG-CE1 3.54Å; H474-H479 AromaticContact CD2-CD2 3.96Å; H474-H479 AromaticContact CD2-NE2 3.58Å; H474-H479 AromaticContact CE1-NE2 3.36Å; H474-H479 PolarHBondContact CE1-NE2 3.16Å; H474-H479 AromaticContact NE2-CD2 3.69Å; H474-H479 AromaticContact NE2-CE1 3.97Å; H474-H479 AromaticContact NE2-NE2 2.89Å; H474-H479 PolarHBondContact NE2-NE2 3.1Å; I475-H479 CarbonylContact O-C 2.95Å; I475-H479 WeakPolarHBondContact O-CA 3.44Å; I475-H479 WeakPolarHBondContact O-CB 3.23Å; I475-H479 PolarHBondContact O-N 3.39Å
480	R	77	Confident	81.9	Confident	158 Å²	158	70.8 Å²	70.8	60%	0.596	33%	0.328	S	S	*	.	S	Bend	trans	-150.2	133.6	177.1	-67.1	-172.2	179.4	-144.8	-3.3	113.2	S478 I482 S913 V914	S478-R480 PolarHBondContact O-N 3.09Å; R480-I482 HydrophobicContact CB-CD1 4.47Å; R480-I482 HydrophobicContact CB-CG1 4.2Å; R480-I482 WeakPolarHBondContact O-CG1 3.28Å; R480-I482 PolarHBondContact O-N 3.21Å; R480-S913 WeakPolarHBondContact O-CB 3.41Å; R480-S913 PolarHBondContact O-OG 2.89Å; R480-V914 VanDerWaalsContact CA-CG2 3.41Å; R480-V914 VanDerWaalsContact N-CG2 3.25Å; R480-V914 WeakPolarHBondContact O-CG2 3.12Å
481	D	60.5	Low	81.6	Confident	117 Å²	117	69.1 Å²	69.1	63%	0.626	35%	0.348	S	S	*	.			trans	-67.7	71.7	-174.3	-86.2	-70.6	0	0	0	112.5	K483 V914	D481-K483 PolarHBondContact O-N 3.21Å; D481-V914 HydrophobicContact CB-CG2 4.25Å; D481-V914 WeakPolarHBondContact OD2-CB 3.25Å
482	I	67.5	Low	81.4	Confident	41 Å²	41	70 Å²	70	21%	0.21	36%	0.356	C	S	.	.			trans	-84.4	109.7	-174.4	-69.3	-178.1	0	0	0	109.8	K476 R480 R484 C912	K476-I482 HydrophobicContact CD-CD1 4.33Å; K476-I482 HydrophobicContact CG-CD1 3.43Å; K476-I482 VanDerWaalsContact CG-CD1 3.43Å; K476-I482 WeakPolarHBondContact O-CD1 3.37Å; R480-I482 HydrophobicContact CB-CD1 4.47Å; R480-I482 HydrophobicContact CB-CG1 4.2Å; R480-I482 WeakPolarHBondContact O-CG1 3.28Å; R480-I482 PolarHBondContact O-N 3.21Å; I482-R484 PolarHBondContact O-N 3.27Å; I482-C912 HydrophobicContact CB-CB 3.84Å; I482-C912 HydrophobicContact CG2-CB 4.2Å; I482-C912 PolarHBondContact O-SG 3.44Å
483	K	70.2	Confident	81.1	Confident	153 Å²	153	72.9 Å²	72.9	67%	0.665	38%	0.375	S	S	*	.			trans	-35.8	106.1	166.4	-174.8	-177.8	-176.1	-177.9	0	110.4	D481 F485 N527	D481-K483 PolarHBondContact O-N 3.21Å; K483-F485 VanDerWaalsContact O-CD2 3.29Å; K483-F485 WeakPolarHBondContact O-CD2 3.29Å; K483-N527 PolarHBondContact NZ-O 3.47Å
484	R	80.8	Confident	81.2	Confident	126 Å²	126	73.7 Å²	73.7	48%	0.475	38%	0.376	S	S	.	.			trans	-62.2	136.2	-178.5	-56.7	179.7	-177.5	167.3	4.6	109.5	I482 K486 C495 L497	I482-R484 PolarHBondContact O-N 3.27Å; R484-K486 PolarHBondContact O-N 3.29Å; R484-C495 HydrophobicContact CB-CB 4.11Å; R484-L497 HydrophobicContact CG-CD2 3.98Å
485	F	83.8	Confident	80.8	Confident	49 Å²	49	75.6 Å²	75.6	22%	0.215	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	91.3	-175.6	-68.2	-134.5	0	0	0	108.5	K483 G496 R498 R499 L502	K483-F485 VanDerWaalsContact O-CD2 3.29Å; K483-F485 WeakPolarHBondContact O-CD2 3.29Å; F485-G496 CarbonylContact C-O 3.51Å; F485-G496 VanDerWaalsContact CA-O 3.27Å; F485-G496 WeakPolarHBondContact CA-O 3.34Å; F485-G496 WeakPolarHBondContact CB-O 3.31Å; F485-G496 PolarHBondContact N-O 3.02Å; F485-G496 PolarHBondContact O-N 2.87Å; F485-R498 HydrophobicContact CD1-CB 4.17Å; F485-R498 VanDerWaalsContact CD2-CA 3.44Å; F485-R498 HydrophobicContact CD2-CB 3.23Å; F485-R498 HydrophobicContact CE1-CB 4.12Å; F485-R498 HydrophobicContact CE2-CB 3.2Å; F485-R498 HydrophobicContact CE2-CG 4.28Å; F485-R498 HydrophobicContact CG-CB 3.77Å; F485-R498 HydrophobicContact CZ-CB 3.67Å; F485-R498 HydrophobicContact CZ-CG 4.42Å; F485-R499 HydrophobicContact CD1-CB 4.42Å; F485-R499 HydrophobicContact CE1-CB 4.3Å; F485-L502 HydrophobicContact CB-CB 4.09Å; F485-L502 HydrophobicContact CB-CD2 3.84Å; F485-L502 HydrophobicContact CD1-CD2 4.32Å
486	K	86.5	Confident	80.8	Confident	151 Å²	151	73.4 Å²	73.4	66%	0.657	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	147.1	174.8	-60	-174.3	178.4	-177.1	0	110.8	R484 P488	R484-K486 PolarHBondContact O-N 3.29Å; K486-P488 WeakPolarHBondContact O-CD 3.41Å
487	C	89.5	Confident	80.6	Confident	13 Å²	13	70.5 Å²	70.5	9%	0.088	37%	0.368	C	S	.	.			trans	-70.1	128.4	167.9	-164.2	0	0	0	0	110.9	L489 C492 F494 L502 H505 H510	C487-L489 PolarHBondContact O-N 3.37Å; C487-C492 HydrophobicContact CB-CB 4.06Å; C487-F494 PolarHBondContact N-O 3.03Å; C487-L502 HydrophobicContact CB-CD1 4.24Å; C487-H505 WeakPolarHBondContact CB-NE2 3.09Å; C487-H505 PolarHBondContact SG-NE2 3.35Å; C487-H510 PolarHBondContact SG-CD2 3.35Å; C487-H510 PolarHBondContact SG-NE2 3.34Å
488	P	85.9	Confident	80.7	Confident	38 Å²	38	70.4 Å²	70.4	25%	0.247	37%	0.365	C	S	.	.			trans	-73.9	5.6	175.8	-20.3	35.1	0	0	0	115.3	K486 I520 N524	K486-P488 WeakPolarHBondContact O-CD 3.41Å; P488-I520 HydrophobicContact CB-CG2 4.1Å; P488-I520 HydrophobicContact CG-CG2 3.61Å; P488-N524 WeakPolarHBondContact CG-ND2 3.44Å
489	L	83.5	Confident	80.9	Confident	17 Å²	17	76 Å²	76	9%	0.089	39%	0.386	C	S	.	.	S	Bend	trans	-93.1	114.4	-178.1	-99.7	166.3	0	0	0	111.2	C487 G491 C492 H510 K513 L515 I520	C487-L489 PolarHBondContact O-N 3.37Å; L489-G491 PolarHBondContact O-N 3.49Å; L489-C492 HydrophobicContact CB-CB 4.44Å; L489-C492 WeakPolarHBondContact O-CB 3.19Å; L489-C492 PolarHBondContact O-N 3.36Å; L489-H510 HydrophobicContact CD1-CB 3.48Å; L489-H510 VanDerWaalsContact CD1-CB 3.48Å; L489-H510 VanDerWaalsContact CD1-CD2 3.42Å; L489-H510 WeakPolarHBondContact CD1-CD2 3.22Å; L489-K513 HydrophobicContact CD1-CD 4.09Å; L489-K513 HydrophobicContact CD2-CD 3.48Å; L489-K513 VanDerWaalsContact CD2-CD 3.48Å; L489-K513 HydrophobicContact CG-CD 4.46Å; L489-L515 HydrophobicContact CD1-CD1 4.18Å; L489-L515 HydrophobicContact CD2-CD1 3.69Å; L489-L515 HydrophobicContact CG-CD1 4.01Å; L489-I520 HydrophobicContact CD1-CD1 4.24Å
490	E	80.4	Confident	81	Confident	177 Å²	177	79.2 Å²	79.2	83%	0.827	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	129.5	175.1	-68.4	-56	141.7	0	0	112.2
491	G	81.5	Confident	81.5	Confident	87 Å²	87	74.2 Å²	74.2	90%	0.897	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-6.4	-172.6	0	0	0	0	0	115.7	L489	L489-G491 PolarHBondContact O-N 3.49Å
492	C	88.7	Confident	83	Confident	35 Å²	35	68.6 Å²	68.6	24%	0.236	36%	0.355	C	S	.	.			trans	-96.4	122.3	176.9	-169.6	0	0	0	0	112.9	C487 L489 H505 H510	C487-C492 HydrophobicContact CB-CB 4.06Å; L489-C492 HydrophobicContact CB-CB 4.44Å; L489-C492 WeakPolarHBondContact O-CB 3.19Å; L489-C492 PolarHBondContact O-N 3.36Å; C492-H505 PolarHBondContact SG-CE1 3.02Å; C492-H505 PolarHBondContact SG-NE2 2.88Å; C492-H510 WeakPolarHBondContact CB-NE2 3.22Å; C492-H510 PolarHBondContact SG-NE2 2.95Å
493	S	80.6	Confident	83.9	Confident	117 Å²	117	68.4 Å²	68.4	82%	0.818	35%	0.353	S	S	*	.			trans	-87.2	-1	178.1	54.4	0	0	0	0	114.7	C495	S493-C495 PolarHBondContact O-N 3.48Å
494	F	86.7	Confident	84.7	Confident	72 Å²	72	66.7 Å²	66.7	32%	0.316	34%	0.342	S	S	.	.			trans	-68.5	129.3	-173.3	-176.4	-91.4	0	0	0	112.6	C487 G496 H501 H505	C487-F494 PolarHBondContact N-O 3.03Å; F494-G496 VanDerWaalsContact CD1-N 3.35Å; F494-H501 WeakPolarHBondContact CE1-O 3.23Å; F494-H501 HydrophobicContact CZ-CB 4.32Å; F494-H501 WeakPolarHBondContact CZ-O 3.34Å; F494-H505 VanDerWaalsContact CB-CE1 3.46Å; F494-H505 WeakPolarHBondContact CB-CE1 3.23Å; F494-H505 WeakPolarHBondContact CB-NE2 3.26Å; F494-H505 HydrophobicContact CD1-CB 3.54Å; F494-H505 AromaticContact CD1-CD2 3.25Å; F494-H505 WeakPolarHBondContact CD1-CD2 3.14Å; F494-H505 AromaticContact CD1-CG 3.2Å; F494-H505 AromaticContact CD1-ND1 3.81Å; F494-H505 AromaticContact CD1-NE2 3.87Å; F494-H505 HydrophobicContact CD2-CB 4.36Å; F494-H505 AromaticContact CD2-ND1 3.86Å; F494-H505 HydrophobicContact CE1-CB 3.26Å; F494-H505 AromaticContact CE1-CD2 3.91Å; F494-H505 AromaticContact CE1-CG 3.54Å; F494-H505 HydrophobicContact CE2-CB 4.15Å; F494-H505 HydrophobicContact CG-CB 4.08Å; F494-H505 AromaticContact CG-CD2 3.66Å; F494-H505 AromaticContact CG-CE1 3.78Å; F494-H505 AromaticContact CG-CG 3.45Å; F494-H505 VanDerWaalsContact CG-CG 3.45Å; F494-H505 AromaticContact CG-ND1 3.53Å; F494-H505 AromaticContact CG-NE2 3.85Å; F494-H505 HydrophobicContact CZ-CB 3.61Å
495	C	81.2	Confident	85.1	Confident	56 Å²	56	60.9 Å²	60.9	38%	0.378	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	87.4	176	-67.2	0	0	0	0	109.4	R484 S493 L497	R484-C495 HydrophobicContact CB-CB 4.11Å; S493-C495 PolarHBondContact O-N 3.48Å; C495-L497 PolarHBondContact O-N 2.88Å
496	G	84.4	Confident	85.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	118.4	177.5	0	0	0	0	0	109.5	F485 F494 R498	F485-G496 CarbonylContact C-O 3.51Å; F485-G496 VanDerWaalsContact CA-O 3.27Å; F485-G496 WeakPolarHBondContact CA-O 3.34Å; F485-G496 WeakPolarHBondContact CB-O 3.31Å; F485-G496 PolarHBondContact N-O 3.02Å; F485-G496 PolarHBondContact O-N 2.87Å; F494-G496 VanDerWaalsContact CD1-N 3.35Å; G496-R498 WeakPolarHBondContact O-CA 3.43Å; G496-R498 PolarHBondContact O-N 2.78Å
497	L	80.3	Confident	85.3	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.12	30%	0.298	C	S	.	.	S	Bend	trans	-58.8	-32.3	-166.8	-62.7	169.4	0	0	0	112.7	R484 C495 S911 C912	R484-L497 HydrophobicContact CG-CD2 3.98Å; C495-L497 PolarHBondContact O-N 2.88Å; L497-S911 VanDerWaalsContact C-CB 3.42Å; L497-S911 WeakPolarHBondContact CB-O 3.12Å; L497-S911 WeakPolarHBondContact CD1-O 3.26Å; L497-S911 WeakPolarHBondContact O-CB 3.43Å; L497-C912 HydrophobicContact CB-CB 4.38Å; L497-C912 VanDerWaalsContact CB-N 3.35Å; L497-C912 VanDerWaalsContact CB-SG 3.59Å; L497-C912 VanDerWaalsContact CD2-SG 3.55Å; L497-C912 PolarHBondContact O-SG 2.65Å; L497-C912 VanDerWaalsContact O-SG 3.4Å
498	R	84.3	Confident	85.1	Confident	31 Å²	31	59 Å²	59	12%	0.117	32%	0.317	C	S	.	.	S	Bend	trans	-149.8	-154.4	137	79.5	-160.2	163.2	-123.5	160.4	113.4	K476 D477 F485 G496 M500 H501 L502 S909 S910 S911	K476-R498 VanDerWaalsContact CD-NH2 3.3Å; K476-R498 VanDerWaalsContact CG-NH2 3.33Å; D477-R498 IonicContact OD1-CZ 3.07Å; D477-R498 IonicContact OD1-NH1 2.72Å; D477-R498 PolarHBondContact OD1-NH1 3.46Å; D477-R498 IonicContact OD1-NH2 2.78Å; D477-R498 PolarHBondContact OD1-NH2 3.03Å; D477-R498 IonicContact OD2-NH1 3.66Å; F485-R498 HydrophobicContact CD1-CB 4.17Å; F485-R498 VanDerWaalsContact CD2-CA 3.44Å; F485-R498 HydrophobicContact CD2-CB 3.23Å; F485-R498 HydrophobicContact CE1-CB 4.12Å; F485-R498 HydrophobicContact CE2-CB 3.2Å; F485-R498 HydrophobicContact CE2-CG 4.28Å; F485-R498 HydrophobicContact CG-CB 3.77Å; F485-R498 HydrophobicContact CZ-CB 3.67Å; F485-R498 HydrophobicContact CZ-CG 4.42Å; G496-R498 WeakPolarHBondContact O-CA 3.43Å; G496-R498 PolarHBondContact O-N 2.78Å; R498-M500 VanDerWaalsContact C-N 3.32Å; R498-M500 PolarHBondContact O-N 2.81Å; R498-H501 PolarHBondContact O-N 3.12Å; R498-L502 PolarHBondContact O-N 2.77Å; R498-S909 CarbonylContact C-O 3.5Å; R498-S909 WeakPolarHBondContact CG-O 3.46Å; R498-S910 CarbonylContact C-O 3.17Å; R498-S910 WeakPolarHBondContact CA-O 3.29Å; R498-S910 VanDerWaalsContact CZ-CB 3.43Å; R498-S910 VanDerWaalsContact N-C 3.34Å; R498-S910 PolarHBondContact N-O 3.48Å; R498-S910 VanDerWaalsContact NE-CB 3.28Å; R498-S910 PolarHBondContact NE-OG 2.84Å; R498-S910 PolarHBondContact NH1-OG 2.79Å; R498-S911 PolarHBondContact NH2-OG 3.3Å
499	R	85.1	Confident	84.9	Confident	122 Å²	122	63.5 Å²	63.5	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-53	-19.4	-163.7	-160.9	179.9	-69.5	140.4	-3.6	118.1	F485 K503 L521 S909	F485-R499 HydrophobicContact CD1-CB 4.42Å; F485-R499 HydrophobicContact CE1-CB 4.3Å; R499-K503 VanDerWaalsContact O-CB 3.29Å; R499-K503 WeakPolarHBondContact O-CB 3.3Å; R499-K503 PolarHBondContact O-N 2.6Å; R499-L521 HydrophobicContact CG-CD2 4.33Å; R499-S909 VanDerWaalsContact C-N 3.32Å; R499-S909 CarbonylContact C-O 3.47Å; R499-S909 VanDerWaalsContact C-O 3.29Å; R499-S909 WeakPolarHBondContact CA-O 3.46Å; R499-S909 VanDerWaalsContact CB-O 3.23Å; R499-S909 WeakPolarHBondContact CB-O 3.23Å; R499-S909 PolarHBondContact N-O 3.21Å
500	M	83.4	Confident	85	Confident	81 Å²	81	63.9 Å²	63.9	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-89.7	-41.9	173.3	-173.4	161.3	79.3	0	0	109.9	R498 L502 K503 R504 S908 S909	R498-M500 VanDerWaalsContact C-N 3.32Å; R498-M500 PolarHBondContact O-N 2.81Å; M500-L502 PolarHBondContact O-N 2.63Å; M500-K503 PolarHBondContact O-N 3.32Å; M500-R504 WeakPolarHBondContact O-CA 3.5Å; M500-R504 WeakPolarHBondContact O-CB 2.89Å; M500-R504 PolarHBondContact O-N 3.42Å; M500-S908 WeakPolarHBondContact CB-OG 3.11Å; M500-S908 VanDerWaalsContact CG-OG 3.3Å; M500-S908 WeakPolarHBondContact CG-OG 3.13Å; M500-S909 VanDerWaalsContact CB-CA 3.49Å; M500-S909 VanDerWaalsContact N-N 3.12Å; M500-S909 PolarHBondContact N-O 2.89Å
501	H	87.1	Confident	84.5	Confident	52 Å²	52	58.9 Å²	58.9	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-39.6	173.6	-60.1	175.1	0	0	0	108.3	F494 R498 H505 S910	F494-H501 WeakPolarHBondContact CE1-O 3.23Å; F494-H501 HydrophobicContact CZ-CB 4.32Å; F494-H501 WeakPolarHBondContact CZ-O 3.34Å; R498-H501 PolarHBondContact O-N 3.12Å; H501-H505 WeakPolarHBondContact O-CB 3.49Å; H501-H505 PolarHBondContact O-N 2.63Å; H501-S910 PolarHBondContact N-O 2.7Å
502	L	90.8	Very high	83.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-54.5	170	179.4	61.1	0	0	0	113.8	F485 C487 R498 M500 R504 H505 I506 L521	F485-L502 HydrophobicContact CB-CB 4.09Å; F485-L502 HydrophobicContact CB-CD2 3.84Å; F485-L502 HydrophobicContact CD1-CD2 4.32Å; C487-L502 HydrophobicContact CB-CD1 4.24Å; R498-L502 PolarHBondContact O-N 2.77Å; M500-L502 PolarHBondContact O-N 2.63Å; L502-R504 PolarHBondContact O-N 2.92Å; L502-H505 PolarHBondContact O-N 2.98Å; L502-I506 HydrophobicContact CD1-CD1 3.71Å; L502-I506 HydrophobicContact CD1-CG1 3.99Å; L502-I506 HydrophobicContact CD2-CD1 4.38Å; L502-I506 HydrophobicContact CG-CD1 3.71Å; L502-I506 HydrophobicContact CG-CG1 4.42Å; L502-I506 VanDerWaalsContact O-CG1 3.29Å; L502-I506 WeakPolarHBondContact O-CG1 3.36Å; L502-I506 PolarHBondContact O-N 3.01Å; L502-L521 HydrophobicContact CD2-CD2 3.8Å; L502-L521 HydrophobicContact CG-CD2 4.15Å
503	K	87.5	Confident	82.3	Confident	37 Å²	37	65.2 Å²	65.2	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-49.3	178.9	168.8	170.2	172.1	-175.2	0	111.1	R499 M500 H505 I506 T507 L517 W906 S907	R499-K503 VanDerWaalsContact O-CB 3.29Å; R499-K503 WeakPolarHBondContact O-CB 3.3Å; R499-K503 PolarHBondContact O-N 2.6Å; M500-K503 PolarHBondContact O-N 3.32Å; K503-H505 PolarHBondContact O-N 3.48Å; K503-I506 CarbonylContact O-C 3.6Å; K503-I506 WeakPolarHBondContact O-CA 3.14Å; K503-I506 WeakPolarHBondContact O-CB 3.34Å; K503-I506 PolarHBondContact O-N 2.91Å; K503-T507 HydrophobicContact CG-CG2 4.1Å; K503-T507 PolarHBondContact O-N 3.26Å; K503-T507 PolarHBondContact O-OG1 2.84Å; K503-T507 VanDerWaalsContact O-OG1 3.08Å; K503-L517 HydrophobicContact CD-CD1 4.33Å; K503-L517 HydrophobicContact CD-CD2 4.33Å; K503-L517 HydrophobicContact CG-CD2 3.98Å; K503-W906 PolarHBondContact NZ-O 3.35Å; K503-S907 WeakPolarHBondContact CD-O 3.36Å; K503-S907 WeakPolarHBondContact CE-O 3.46Å; K503-S907 PolarHBondContact NZ-O 2.84Å
504	R	87.5	Confident	81	Confident	116 Å²	116	69.8 Å²	69.8	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-55.2	-46.3	-177.7	-179.8	158.8	59.1	96.7	-6.2	110	M500 L502 T507 E508	M500-R504 WeakPolarHBondContact O-CA 3.5Å; M500-R504 WeakPolarHBondContact O-CB 2.89Å; M500-R504 PolarHBondContact O-N 3.42Å; L502-R504 PolarHBondContact O-N 2.92Å; R504-T507 WeakPolarHBondContact CA-OG1 3.36Å; R504-T507 CarbonylContact O-C 3.47Å; R504-T507 PolarHBondContact O-N 3.24Å; R504-T507 PolarHBondContact O-OG1 3.21Å; R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.14Å; R504-E508 HydrophobicContact CG-CG 4.13Å; R504-E508 WeakPolarHBondContact CG-OE1 3.49Å; R504-E508 WeakPolarHBondContact CG-OE2 3.07Å; R504-E508 IonicContact NH1-OE1 3.89Å; R504-E508 IonicContact NH1-OE2 3.96Å; R504-E508 VanDerWaalsContact O-CB 3.25Å; R504-E508 WeakPolarHBondContact O-CB 3.06Å; R504-E508 VanDerWaalsContact O-CG 3.23Å; R504-E508 WeakPolarHBondContact O-CG 3.22Å; R504-E508 PolarHBondContact O-N 3.16Å
505	H	89.1	Confident	79.5	Confident	5 Å²	5	70.6 Å²	70.6	2%	0.023	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-45.9	171	165.1	67	0	0	0	113.8	C487 C492 F494 H501 L502 K503 T507 E508 F509 H510	C487-H505 WeakPolarHBondContact CB-NE2 3.09Å; C487-H505 PolarHBondContact SG-NE2 3.35Å; C492-H505 PolarHBondContact SG-CE1 3.02Å; C492-H505 PolarHBondContact SG-NE2 2.88Å; F494-H505 VanDerWaalsContact CB-CE1 3.46Å; F494-H505 WeakPolarHBondContact CB-CE1 3.23Å; F494-H505 WeakPolarHBondContact CB-NE2 3.26Å; F494-H505 HydrophobicContact CD1-CB 3.54Å; F494-H505 AromaticContact CD1-CD2 3.25Å; F494-H505 WeakPolarHBondContact CD1-CD2 3.14Å; F494-H505 AromaticContact CD1-CG 3.2Å; F494-H505 AromaticContact CD1-ND1 3.81Å; F494-H505 AromaticContact CD1-NE2 3.87Å; F494-H505 HydrophobicContact CD2-CB 4.36Å; F494-H505 AromaticContact CD2-ND1 3.86Å; F494-H505 HydrophobicContact CE1-CB 3.26Å; F494-H505 AromaticContact CE1-CD2 3.91Å; F494-H505 AromaticContact CE1-CG 3.54Å; F494-H505 HydrophobicContact CE2-CB 4.15Å; F494-H505 HydrophobicContact CG-CB 4.08Å; F494-H505 AromaticContact CG-CD2 3.66Å; F494-H505 AromaticContact CG-CE1 3.78Å; F494-H505 AromaticContact CG-CG 3.45Å; F494-H505 VanDerWaalsContact CG-CG 3.45Å; F494-H505 AromaticContact CG-ND1 3.53Å; F494-H505 AromaticContact CG-NE2 3.85Å; F494-H505 HydrophobicContact CZ-CB 3.61Å; H501-H505 WeakPolarHBondContact O-CB 3.49Å; H501-H505 PolarHBondContact O-N 2.63Å; L502-H505 PolarHBondContact O-N 2.98Å; K503-H505 PolarHBondContact O-N 3.48Å; H505-T507 VanDerWaalsContact C-N 3.27Å; H505-T507 PolarHBondContact O-N 2.98Å; H505-E508 PolarHBondContact O-N 3.27Å; H505-F509 HydrophobicContact CB-CD2 4.45Å; H505-F509 AromaticContact ND1-CD2 3.34Å; H505-F509 VanDerWaalsContact ND1-CD2 3.34Å; H505-F509 WeakPolarHBondContact ND1-CD2 3.25Å; H505-F509 AromaticContact ND1-CG 3.66Å; H505-F509 WeakPolarHBondContact O-CB 3.42Å; H505-F509 PolarHBondContact O-N 3.12Å; H505-H510 AromaticContact CE1-CD2 3.9Å; H505-H510 AromaticContact CE1-NE2 3.47Å; H505-H510 PolarHBondContact CE1-NE2 3.12Å; H505-H510 AromaticContact NE2-CD2 3.38Å; H505-H510 PolarHBondContact NE2-CD2 3.29Å; H505-H510 AromaticContact NE2-NE2 3.08Å; H505-H510 PolarHBondContact NE2-NE2 2.83Å
506	I	88.1	Confident	78.4	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-37.3	175.7	-63.2	158.4	0	0	0	111	L502 K503 H510 S511 L517 I520 L521	L502-I506 HydrophobicContact CD1-CD1 3.71Å; L502-I506 HydrophobicContact CD1-CG1 3.99Å; L502-I506 HydrophobicContact CD2-CD1 4.38Å; L502-I506 HydrophobicContact CG-CD1 3.71Å; L502-I506 HydrophobicContact CG-CG1 4.42Å; L502-I506 VanDerWaalsContact O-CG1 3.29Å; L502-I506 WeakPolarHBondContact O-CG1 3.36Å; L502-I506 PolarHBondContact O-N 3.01Å; K503-I506 CarbonylContact O-C 3.6Å; K503-I506 WeakPolarHBondContact O-CA 3.14Å; K503-I506 WeakPolarHBondContact O-CB 3.34Å; K503-I506 PolarHBondContact O-N 2.91Å; I506-H510 HydrophobicContact CG2-CB 4.31Å; I506-H510 CarbonylContact O-C 3.48Å; I506-H510 VanDerWaalsContact O-CA 3.28Å; I506-H510 WeakPolarHBondContact O-CA 3.1Å; I506-H510 WeakPolarHBondContact O-CB 3.06Å; I506-H510 PolarHBondContact O-N 2.78Å; I506-H510 VanDerWaalsContact O-N 3.14Å; I506-S511 PolarHBondContact O-N 2.98Å; I506-L517 HydrophobicContact CB-CD2 4.04Å; I506-L517 HydrophobicContact CG2-CD2 3.61Å; I506-I520 HydrophobicContact CD1-CB 4.32Å; I506-I520 HydrophobicContact CD1-CG2 3.51Å; I506-I520 HydrophobicContact CG1-CG2 4.19Å; I506-I520 HydrophobicContact CG2-CD1 3.72Å; I506-L521 HydrophobicContact CD1-CD2 3.99Å; I506-L521 HydrophobicContact CD1-CG 4.35Å
507	T	85.5	Confident	77.3	Confident	61 Å²	61	70.1 Å²	70.1	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-79	-22.5	177.2	48.7	0	0	0	0	114.8	K503 R504 H505 L517	K503-T507 HydrophobicContact CG-CG2 4.1Å; K503-T507 PolarHBondContact O-N 3.26Å; K503-T507 PolarHBondContact O-OG1 2.84Å; K503-T507 VanDerWaalsContact O-OG1 3.08Å; R504-T507 WeakPolarHBondContact CA-OG1 3.36Å; R504-T507 CarbonylContact O-C 3.47Å; R504-T507 PolarHBondContact O-N 3.24Å; R504-T507 PolarHBondContact O-OG1 3.21Å; H505-T507 VanDerWaalsContact C-N 3.27Å; H505-T507 PolarHBondContact O-N 2.98Å; T507-L517 HydrophobicContact CG2-CD1 3.84Å; T507-L517 HydrophobicContact CG2-CD2 4.17Å; T507-L517 HydrophobicContact CG2-CG 4.47Å
508	E	85.5	Confident	76.2	Confident	105 Å²	105	73.2 Å²	73.2	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-97.4	-30.9	-177.2	-73.9	170.5	174.4	0	0	112.9	R504 H505	R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.14Å; R504-E508 HydrophobicContact CG-CG 4.13Å; R504-E508 WeakPolarHBondContact CG-OE1 3.49Å; R504-E508 WeakPolarHBondContact CG-OE2 3.07Å; R504-E508 IonicContact NH1-OE1 3.89Å; R504-E508 IonicContact NH1-OE2 3.96Å; R504-E508 VanDerWaalsContact O-CB 3.25Å; R504-E508 WeakPolarHBondContact O-CB 3.06Å; R504-E508 VanDerWaalsContact O-CG 3.23Å; R504-E508 WeakPolarHBondContact O-CG 3.22Å; R504-E508 PolarHBondContact O-N 3.16Å; H505-E508 PolarHBondContact O-N 3.27Å
509	F	82.7	Confident	75.1	Confident	133 Å²	133	77.5 Å²	77.5	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-119.4	-12	-174.2	-62.8	-93.6	0	0	0	113.4	H505	H505-F509 HydrophobicContact CB-CD2 4.45Å; H505-F509 AromaticContact ND1-CD2 3.34Å; H505-F509 VanDerWaalsContact ND1-CD2 3.34Å; H505-F509 WeakPolarHBondContact ND1-CD2 3.25Å; H505-F509 AromaticContact ND1-CG 3.66Å; H505-F509 WeakPolarHBondContact O-CB 3.42Å; H505-F509 PolarHBondContact O-N 3.12Å
510	H	84.9	Confident	74	Confident	25 Å²	25	71.8 Å²	71.8	12%	0.116	34%	0.342	C	S	.	.	S	Bend	trans	-135.2	12.2	-174.3	-58.5	-33.8	0	0	0	114.3	C487 L489 C492 H505 I506 D512 K513	C487-H510 PolarHBondContact SG-CD2 3.35Å; C487-H510 PolarHBondContact SG-NE2 3.34Å; L489-H510 HydrophobicContact CD1-CB 3.48Å; L489-H510 VanDerWaalsContact CD1-CB 3.48Å; L489-H510 VanDerWaalsContact CD1-CD2 3.42Å; L489-H510 WeakPolarHBondContact CD1-CD2 3.22Å; C492-H510 WeakPolarHBondContact CB-NE2 3.22Å; C492-H510 PolarHBondContact SG-NE2 2.95Å; H505-H510 AromaticContact CE1-CD2 3.9Å; H505-H510 AromaticContact CE1-NE2 3.47Å; H505-H510 PolarHBondContact CE1-NE2 3.12Å; H505-H510 AromaticContact NE2-CD2 3.38Å; H505-H510 PolarHBondContact NE2-CD2 3.29Å; H505-H510 AromaticContact NE2-NE2 3.08Å; H505-H510 PolarHBondContact NE2-NE2 2.83Å; I506-H510 HydrophobicContact CG2-CB 4.31Å; I506-H510 CarbonylContact O-C 3.48Å; I506-H510 VanDerWaalsContact O-CA 3.28Å; I506-H510 WeakPolarHBondContact O-CA 3.1Å; I506-H510 WeakPolarHBondContact O-CB 3.06Å; I506-H510 PolarHBondContact O-N 2.78Å; I506-H510 VanDerWaalsContact O-N 3.14Å; H510-D512 PolarHBondContact O-N 2.82Å; H510-D512 VanDerWaalsContact O-N 3.09Å; H510-K513 PolarHBondContact O-N 2.71Å
511	S	70.8	Confident	73	Confident	72 Å²	72	69 Å²	69	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-37	169.2	40.5	0	0	0	0	113	I506 K513	I506-S511 PolarHBondContact O-N 2.98Å; S511-K513 VanDerWaalsContact C-N 3.32Å; S511-K513 PolarHBondContact O-N 3Å
512	D	63.6	Low	71.6	Confident	146 Å²	146	69.8 Å²	69.8	78%	0.781	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-17.5	-167.4	-45.2	-15.9	0	0	0	111.9	H510	H510-D512 PolarHBondContact O-N 2.82Å; H510-D512 VanDerWaalsContact O-N 3.09Å
513	K	58.8	Low	70	Confident	110 Å²	110	74.2 Å²	74.2	48%	0.478	36%	0.355	S	S	.	.	S	Bend	trans	-93.1	102.5	169.3	-70.2	-176.6	179.5	179.4	0	107.8	L489 H510 S511 L515	L489-K513 HydrophobicContact CD1-CD 4.09Å; L489-K513 HydrophobicContact CD2-CD 3.48Å; L489-K513 VanDerWaalsContact CD2-CD 3.48Å; L489-K513 HydrophobicContact CG-CD 4.46Å; H510-K513 PolarHBondContact O-N 2.71Å; S511-K513 VanDerWaalsContact C-N 3.32Å; S511-K513 PolarHBondContact O-N 3Å; K513-L515 HydrophobicContact CB-CD1 4.45Å; K513-L515 PolarHBondContact O-N 3.47Å
514	K	54	Low	68.3	Low	212 Å²	212	74 Å²	74	92%	0.922	36%	0.356	S	S	*	.			trans	-63.9	25.2	-178.3	-154	-170.6	177.7	-174.3	0	115.6	S516	K514-S516 PolarHBondContact O-N 3.42Å
515	L	55.4	Low	66.5	Low	90 Å²	90	76.9 Å²	76.9	47%	0.471	37%	0.366	S	S	.	.			trans	-60	123.8	157.5	-64.7	168.8	0	0	0	107.2	L489 K513 L517 I520	L489-L515 HydrophobicContact CD1-CD1 4.18Å; L489-L515 HydrophobicContact CD2-CD1 3.69Å; L489-L515 HydrophobicContact CG-CD1 4.01Å; K513-L515 HydrophobicContact CB-CD1 4.45Å; K513-L515 PolarHBondContact O-N 3.47Å; L515-L517 PolarHBondContact O-N 2.97Å; L515-I520 HydrophobicContact CB-CD1 3.68Å; L515-I520 HydrophobicContact CB-CG1 3.8Å; L515-I520 HydrophobicContact CD1-CD1 4.02Å; L515-I520 HydrophobicContact CD1-CG1 4.2Å
516	S	57.9	Low	64.4	Low	26 Å²	26	82.8 Å²	82.8	18%	0.182	40%	0.398	C	S	.	.			trans	-62.9	143.9	179.4	73.3	0	0	0	0	110.3	K514 Y518 K519 I520 E904	K514-S516 PolarHBondContact O-N 3.42Å; S516-Y518 PolarHBondContact O-N 3.46Å; S516-K519 PolarHBondContact O-N 3.39Å; S516-K519 WeakPolarHBondContact OG-CG 3.44Å; S516-K519 PolarHBondContact OG-N 3.44Å; S516-K519 VanDerWaalsContact OG-N 3.16Å; S516-I520 PolarHBondContact O-N 3.18Å; S516-I520 VanDerWaalsContact O-N 3.15Å; S516-E904 WeakPolarHBondContact CB-OE1 3.3Å; S516-E904 PolarHBondContact OG-OE1 2.85Å
517	L	62	Low	62.1	Low	19 Å²	19	87.4 Å²	87.4	10%	0.099	42%	0.423	C	S	.	.	H	α-helix	trans	-52	-29.7	175.3	-92.8	168	0	0	0	111.5	K503 I506 T507 L515 L521 W906	K503-L517 HydrophobicContact CD-CD1 4.33Å; K503-L517 HydrophobicContact CD-CD2 4.33Å; K503-L517 HydrophobicContact CG-CD2 3.98Å; I506-L517 HydrophobicContact CB-CD2 4.04Å; I506-L517 HydrophobicContact CG2-CD2 3.61Å; T507-L517 HydrophobicContact CG2-CD1 3.84Å; T507-L517 HydrophobicContact CG2-CD2 4.17Å; T507-L517 HydrophobicContact CG2-CG 4.47Å; L515-L517 PolarHBondContact O-N 2.97Å; L517-L521 HydrophobicContact CD2-CD1 4.38Å; L517-L521 VanDerWaalsContact O-CB 3.23Å; L517-L521 WeakPolarHBondContact O-CB 3.35Å; L517-L521 WeakPolarHBondContact O-CD1 3.39Å; L517-L521 WeakPolarHBondContact O-CG 3.37Å; L517-L521 PolarHBondContact O-N 2.82Å; L517-L521 VanDerWaalsContact O-N 3.1Å; L517-W906 HydrophobicContact CD1-CD2 4.49Å; L517-W906 HydrophobicContact CD1-CG 4.2Å
518	Y	56.5	Low	59.9	Low	89 Å²	89	91.4 Å²	91.4	35%	0.349	44%	0.437	S	S	.	.	H	α-helix	trans	-71.5	-52.9	174.8	-86	-126	0	0	0	111	S516 I520 L521 D522 E904 C905 S907	S516-Y518 PolarHBondContact O-N 3.46Å; Y518-I520 PolarHBondContact O-N 3.08Å; Y518-I520 VanDerWaalsContact O-N 3.13Å; Y518-L521 CarbonylContact O-C 3.24Å; Y518-L521 PolarHBondContact O-N 3.41Å; Y518-D522 WeakPolarHBondContact O-CB 3.47Å; Y518-D522 PolarHBondContact O-N 3.19Å; Y518-E904 WeakPolarHBondContact CB-OE2 3.5Å; Y518-E904 HydrophobicContact CG-CG 4.39Å; Y518-C905 HydrophobicContact CD1-CB 3.92Å; Y518-C905 HydrophobicContact CD2-CB 3.64Å; Y518-C905 HydrophobicContact CE1-CB 3.6Å; Y518-C905 WeakPolarHBondContact CE1-SG 3.46Å; Y518-C905 HydrophobicContact CE2-CB 3.37Å; Y518-C905 HydrophobicContact CG-CB 3.94Å; Y518-S907 WeakPolarHBondContact CE2-OG 3.41Å
519	K	60.4	Low	57.3	Low	121 Å²	121	92.9 Å²	92.9	53%	0.526	44%	0.443	S	S	.	.	H	α-helix	trans	-55.8	-36	179.6	-72.8	174.1	-176.7	177.3	0	113.1	S516 Q523	S516-K519 PolarHBondContact O-N 3.39Å; S516-K519 WeakPolarHBondContact OG-CG 3.44Å; S516-K519 PolarHBondContact OG-N 3.44Å; S516-K519 VanDerWaalsContact OG-N 3.16Å; K519-Q523 VanDerWaalsContact O-CG 3.31Å; K519-Q523 WeakPolarHBondContact O-CG 3.5Å; K519-Q523 PolarHBondContact O-N 2.81Å
520	I	61.9	Low	54.8	Low	2 Å²	2	90.3 Å²	90.3	1%	0.01	44%	0.44	C	S	.	.	H	α-helix	trans	-71.7	-43	173.2	-58.7	176	0	0	0	112.5	P488 L489 I506 L515 S516 Y518 N524	P488-I520 HydrophobicContact CB-CG2 4.1Å; P488-I520 HydrophobicContact CG-CG2 3.61Å; L489-I520 HydrophobicContact CD1-CD1 4.24Å; I506-I520 HydrophobicContact CD1-CB 4.32Å; I506-I520 HydrophobicContact CD1-CG2 3.51Å; I506-I520 HydrophobicContact CG1-CG2 4.19Å; I506-I520 HydrophobicContact CG2-CD1 3.72Å; L515-I520 HydrophobicContact CB-CD1 3.68Å; L515-I520 HydrophobicContact CB-CG1 3.8Å; L515-I520 HydrophobicContact CD1-CD1 4.02Å; L515-I520 HydrophobicContact CD1-CG1 4.2Å; S516-I520 PolarHBondContact O-N 3.18Å; S516-I520 VanDerWaalsContact O-N 3.15Å; Y518-I520 PolarHBondContact O-N 3.08Å; Y518-I520 VanDerWaalsContact O-N 3.13Å; I520-N524 PolarHBondContact O-ND2 3.44Å
521	L	62.7	Low	52.2	Low	21 Å²	21	98.1 Å²	98.1	11%	0.11	47%	0.47	C	S	.	.	H	α-helix	trans	-79.5	-17.4	-178.2	-67	170.8	0	0	0	113.4	R499 L502 I506 L517 Y518 N524 S907	R499-L521 HydrophobicContact CG-CD2 4.33Å; L502-L521 HydrophobicContact CD2-CD2 3.8Å; L502-L521 HydrophobicContact CG-CD2 4.15Å; I506-L521 HydrophobicContact CD1-CD2 3.99Å; I506-L521 HydrophobicContact CD1-CG 4.35Å; L517-L521 HydrophobicContact CD2-CD1 4.38Å; L517-L521 VanDerWaalsContact O-CB 3.23Å; L517-L521 WeakPolarHBondContact O-CB 3.35Å; L517-L521 WeakPolarHBondContact O-CD1 3.39Å; L517-L521 WeakPolarHBondContact O-CG 3.37Å; L517-L521 PolarHBondContact O-N 2.82Å; L517-L521 VanDerWaalsContact O-N 3.1Å; Y518-L521 CarbonylContact O-C 3.24Å; Y518-L521 PolarHBondContact O-N 3.41Å; L521-N524 WeakPolarHBondContact O-CB 3.14Å; L521-N524 PolarHBondContact O-N 3.21Å; L521-S907 WeakPolarHBondContact CD1-OG 3.29Å
522	D	58.1	Low	50.6	Low	69 Å²	69	101.8 Å²	101.8	37%	0.369	48%	0.484	S	S	.	.	H	α-helix	trans	-86.5	-30.1	176.4	-149	68.9	0	0	0	111.2	Y518 N524 R525 L526	Y518-D522 WeakPolarHBondContact O-CB 3.47Å; Y518-D522 PolarHBondContact O-N 3.19Å; D522-N524 PolarHBondContact O-N 3.11Å; D522-N524 VanDerWaalsContact O-N 3.12Å; D522-R525 WeakPolarHBondContact O-CA 3.42Å; D522-R525 VanDerWaalsContact O-CB 3.31Å; D522-R525 WeakPolarHBondContact O-CB 3.26Å; D522-R525 PolarHBondContact O-N 3.43Å; D522-R525 WeakPolarHBondContact OD1-CD 3.04Å; D522-R525 IonicContact OD1-CZ 3.66Å; D522-R525 IonicContact OD1-NE 3.72Å; D522-R525 IonicContact OD1-NH1 2.78Å; D522-R525 PolarHBondContact OD1-NH1 2.85Å; D522-L526 PolarHBondContact O-N 2.99Å
523	Q	58.1	Low	48.9	Very low	93 Å²	93	98.2 Å²	98.2	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-58.1	-20.5	160.3	-75.6	171.5	-10.2	0	0	112.8	K519 R525 N527	K519-Q523 VanDerWaalsContact O-CG 3.31Å; K519-Q523 WeakPolarHBondContact O-CG 3.5Å; K519-Q523 PolarHBondContact O-N 2.81Å; Q523-R525 VanDerWaalsContact C-N 3.34Å; Q523-N527 WeakPolarHBondContact O-CB 2.92Å; Q523-N527 PolarHBondContact O-N 3Å; Q523-N527 PolarHBondContact O-ND2 2.87Å
524	N	51.2	Low	47.7	Very low	34 Å²	34	99 Å²	99	18%	0.182	48%	0.484	C	S	.	.	H	α-helix	trans	-83.2	-4.7	169.9	-77.4	-96.6	0	0	0	114	P488 I520 L521 D522 H528	P488-N524 WeakPolarHBondContact CG-ND2 3.44Å; I520-N524 PolarHBondContact O-ND2 3.44Å; L521-N524 WeakPolarHBondContact O-CB 3.14Å; L521-N524 PolarHBondContact O-N 3.21Å; D522-N524 PolarHBondContact O-N 3.11Å; D522-N524 VanDerWaalsContact O-N 3.12Å; N524-H528 PolarHBondContact O-N 3.02Å
525	R	50.2	Low	46.4	Very low	175 Å²	175	95.8 Å²	95.8	66%	0.66	47%	0.472	S	S	*	.	H	α-helix	trans	-88.9	-29.4	164.2	-60.2	166	97.8	-177.8	0.2	111.3	D522 Q523 H528	D522-R525 WeakPolarHBondContact O-CA 3.42Å; D522-R525 VanDerWaalsContact O-CB 3.31Å; D522-R525 WeakPolarHBondContact O-CB 3.26Å; D522-R525 PolarHBondContact O-N 3.43Å; D522-R525 WeakPolarHBondContact OD1-CD 3.04Å; D522-R525 IonicContact OD1-CZ 3.66Å; D522-R525 IonicContact OD1-NE 3.72Å; D522-R525 IonicContact OD1-NH1 2.78Å; D522-R525 PolarHBondContact OD1-NH1 2.85Å; Q523-R525 VanDerWaalsContact C-N 3.34Å; R525-H528 CarbonylContact O-C 3.55Å; R525-H528 WeakPolarHBondContact O-CA 2.88Å; R525-H528 VanDerWaalsContact O-CB 3.27Å; R525-H528 WeakPolarHBondContact O-CB 3.07Å; R525-H528 PolarHBondContact O-N 2.87Å
526	L	45.2	Very low	45.2	Very low	129 Å²	129	97.2 Å²	97.2	68%	0.675	49%	0.487	S	S	*	.	H	α-helix	trans	-79.7	-32.9	170.1	-64.5	173.7	0	0	0	112.5	D522 H528 E529	D522-L526 PolarHBondContact O-N 2.99Å; L526-H528 PolarHBondContact O-N 3.41Å; L526-E529 PolarHBondContact O-N 3.19Å
527	N	39.1	Very low	43.8	Very low	104 Å²	104	100.8 Å²	100.8	56%	0.556	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	2.4	162.9	-75.9	-83.7	0	0	0	113.3	K483 Q523	K483-N527 PolarHBondContact NZ-O 3.47Å; Q523-N527 WeakPolarHBondContact O-CB 2.92Å; Q523-N527 PolarHBondContact O-N 3Å; Q523-N527 PolarHBondContact O-ND2 2.87Å
528	H	38.2	Very low	42.4	Very low	145 Å²	145	108 Å²	108	67%	0.671	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	43.4	156.8	-160.7	-59.5	0	0	0	110	N524 R525 L526	N524-H528 PolarHBondContact O-N 3.02Å; R525-H528 CarbonylContact O-C 3.55Å; R525-H528 WeakPolarHBondContact O-CA 2.88Å; R525-H528 VanDerWaalsContact O-CB 3.27Å; R525-H528 WeakPolarHBondContact O-CB 3.07Å; R525-H528 PolarHBondContact O-N 2.87Å; L526-H528 PolarHBondContact O-N 3.41Å
529	E	31.7	Very low	41.2	Very low	135 Å²	135	109.6 Å²	109.6	63%	0.631	56%	0.555	S	S	*	*			trans	-34.6	125.8	159.9	-101.2	-61	108.6	0	0	109.8	L526 Y531	L526-E529 PolarHBondContact O-N 3.19Å; E529-Y531 PolarHBondContact O-N 2.94Å
530	P	30.5	Very low	39.7	Very low	79 Å²	79	113.5 Å²	113.5	51%	0.513	57%	0.568	S	S	.	*			trans	-69.8	98.8	-173.8	27.9	-33.6	0	0	0	109.7	N532	P530-N532 HydrophobicContact CB-CB 3.94Å; P530-N532 WeakPolarHBondContact O-CB 3.33Å
531	Y	29.8	Very low	38.1	Very low	189 Å²	189	116.5 Å²	116.5	74%	0.741	60%	0.599	S	S	*	*			trans	-119.7	82.3	173.5	-135.5	-92.7	0	0	0	109.2	E529 S533	E529-Y531 PolarHBondContact O-N 2.94Å; Y531-S533 VanDerWaalsContact C-N 3.33Å; Y531-S533 WeakPolarHBondContact CD1-OG 3.42Å; Y531-S533 WeakPolarHBondContact CD2-OG 3.4Å; Y531-S533 WeakPolarHBondContact CE1-OG 3.45Å; Y531-S533 VanDerWaalsContact CE2-OG 3.22Å; Y531-S533 WeakPolarHBondContact CE2-OG 3.28Å
532	N	36.3	Very low	36.4	Very low	150 Å²	150	125 Å²	125	80%	0.802	63%	0.629	S	S	*	*			cis	59.7	24.4	8.8	-102.3	24.4	0	0	0	116.4	P530	P530-N532 HydrophobicContact CB-CB 3.94Å; P530-N532 WeakPolarHBondContact O-CB 3.33Å
533	S	29.6	Very low	35	Very low	71 Å²	71	127 Å²	127	50%	0.497	64%	0.637	S	S	.	*			trans	-155.2	41.7	153.5	45.9	0	0	0	0	114	Y531	Y531-S533 VanDerWaalsContact C-N 3.33Å; Y531-S533 WeakPolarHBondContact CD1-OG 3.42Å; Y531-S533 WeakPolarHBondContact CD2-OG 3.4Å; Y531-S533 WeakPolarHBondContact CE1-OG 3.45Å; Y531-S533 VanDerWaalsContact CE2-OG 3.22Å; Y531-S533 WeakPolarHBondContact CE2-OG 3.28Å
534	V	32.8	Very low	33.6	Very low	125 Å²	125	130.1 Å²	130.1	76%	0.758	65%	0.651	S	S	*	*	S	Bend	trans	-111	128.5	146.8	-178.4	0	0	0	0	106.8
535	Q	27.6	Very low	32.6	Very low	146 Å²	146	132.2 Å²	132.2	68%	0.682	68%	0.681	S	S	*	*			trans	-67.4	158.1	-174.2	-67.4	172.7	-22.3	0	0	111.7	V537	Q535-V537 WeakPolarHBondContact O-CG2 3.04Å; Q535-V537 PolarHBondContact O-N 3.29Å
536	P	29.3	Very low	31.6	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	69%	0.688	S	S	*	*			trans	-64.3	100.6	163.6	28	-33.4	0	0	0	109.3	M538	P536-M538 VanDerWaalsContact C-N 3.33Å; P536-M538 PolarHBondContact O-N 3.24Å
537	V	28.6	Very low	30.7	Very low	102 Å²	102	130.9 Å²	130.9	62%	0.618	69%	0.691	S	S	*	*			trans	-74.9	85.7	-177.1	-177.4	0	0	0	0	110.3	Q535 M539	Q535-V537 WeakPolarHBondContact O-CG2 3.04Å; Q535-V537 PolarHBondContact O-N 3.29Å; V537-M539 HydrophobicContact CG1-CE 3.6Å; V537-M539 HydrophobicContact CG1-CG 3.93Å
538	M	32.1	Very low	30.1	Very low	170 Å²	170	132.2 Å²	132.2	84%	0.837	70%	0.698	S	S	*	*			trans	-70.2	122.9	175.3	-66.8	-90.6	-77	0	0	110.9	P536	P536-M538 VanDerWaalsContact C-N 3.33Å; P536-M538 PolarHBondContact O-N 3.24Å
539	M	32	Very low	29.6	Very low	122 Å²	122	131.5 Å²	131.5	60%	0.601	70%	0.699	S	S	*	*			trans	-149.3	119.8	-177.2	-68.2	-64.3	172.6	0	0	109.4	V537	V537-M539 HydrophobicContact CG1-CE 3.6Å; V537-M539 HydrophobicContact CG1-CG 3.93Å
540	Y	28.4	Very low	29.4	Very low	203 Å²	203	129.9 Å²	129.9	80%	0.796	70%	0.698	S	S	*	*			cis	-138.2	156.7	-4.4	-70.3	-93	0	0	0	109
541	G	28.5	Very low	29.5	Very low	65 Å²	65	131.9 Å²	131.9	67%	0.67	71%	0.709	S	S	*	*			cis	146.6	-158.8	-5.7	0	0	0	0	0	112.4
542	R	27	Very low	29.3	Very low	199 Å²	199	125.9 Å²	125.9	75%	0.751	69%	0.687	S	S	*	*			trans	71.7	144	168.8	-66.9	-178.4	161.8	-115	0.8	115.9
543	Q	29.5	Very low	28.9	Very low	112 Å²	112	124.3 Å²	124.3	52%	0.523	68%	0.678	S	S	.	*			cis	-151	164.1	4.5	-128.2	163.5	-64.5	0	0	113.2
544	E	27.9	Very low	28.8	Very low	159 Å²	159	125 Å²	125	74%	0.743	68%	0.683	S	S	*	*			trans	33.1	111.3	151	-73.9	131.7	-153.6	0	0	119.9
545	G	31.2	Very low	28.7	Very low	78 Å²	78	124.6 Å²	124.6	80%	0.804	68%	0.676	S	S	*	*			trans	-164.7	74.1	173.1	0	0	0	0	0	112.3
546	L	27.1	Very low	28.8	Very low	155 Å²	155	124.1 Å²	124.1	81%	0.812	68%	0.678	S	S	*	*			trans	-1.3	133.3	164.4	-63	166	0	0	0	118.6
547	T	27.2	Very low	28.7	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	68%	0.683	S	S	*	*			trans	54.5	140	143.4	59.9	0	0	0	0	120
548	L	26.3	Very low	28.7	Very low	133 Å²	133	127.1 Å²	127.1	70%	0.696	68%	0.684	S	S	*	*			cis	-175.5	155.5	-8.4	-112.1	169.7	0	0	0	104.5
549	N	27.5	Very low	28.5	Very low	129 Å²	129	126.2 Å²	126.2	69%	0.69	68%	0.681	S	S	*	*			trans	67.1	130.8	156.7	-62.5	-15.4	0	0	0	117.6
550	V	28.3	Very low	28.3	Very low	102 Å²	102	129.9 Å²	129.9	62%	0.618	69%	0.694	S	S	*	*				66.6	124.5	61	178.9	0	0	0	0	109.1
551	T	31.4	Very low	28.2	Very low	121 Å²	121	131.6 Å²	131.6	74%	0.742	70%	0.699	S	S	*	*			cis	-143.5	143.4	42.9	-23.8	0	0	0	0	109.5
552	K	27.3	Very low	28.1	Very low	62 Å²	62	138 Å²	138	27%	0.27	71%	0.708	S	S	.	*			cis	75.7	143.4	43	-92.4	-157.1	-140.8	-172.4	0	117.3	N1200 A1201 H1202	K552-N1200 VanDerWaalsContact CD-O 3.28Å; K552-N1200 WeakPolarHBondContact CD-O 3.3Å; K552-N1200 WeakPolarHBondContact CE-O 3.28Å; K552-N1200 WeakPolarHBondContact CG-O 3.27Å; K552-A1201 VanDerWaalsContact CD-O 3.29Å; K552-A1201 WeakPolarHBondContact CD-O 3.27Å; K552-A1201 WeakPolarHBondContact CE-O 3.49Å; K552-A1201 PolarHBondContact NZ-O 3.32Å; K552-H1202 PolarHBondContact NZ-CD2 2.99Å
553	L	28	Very low	28.1	Very low	118 Å²	118	134.7 Å²	134.7	62%	0.618	72%	0.715	S	S	*	*			trans	79.5	131.2	137.5	-78.2	170.1	0	0	0	122.2
554	S	26.7	Very low	27.9	Very low	85 Å²	85	138 Å²	138	59%	0.594	72%	0.723	S	S	*	*				82.1	148.5	127.7	-67.7	0	0	0	0	121.9
555	D	30.6	Very low	28.3	Very low	117 Å²	117	135.2 Å²	135.2	63%	0.626	71%	0.714	S	S	*	*			cis	-166.5	157.4	-27.6	-109.6	-36	0	0	0	112.7
556	N	29.3	Very low	28.3	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	71%	0.71	S	S	*	*			trans	22	114.7	143.4	-51.9	-45	0	0	0	120.4
557	Q	27.5	Very low	28.5	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	70%	0.698	S	S	*	*			trans	-162	159.8	138	-102.4	-156.4	-1.6	0	0	109.9
558	P	29.6	Very low	28.6	Very low	97 Å²	97	135 Å²	135	63%	0.63	69%	0.69	S	S	*	*				-139.3	-171.5	-60.6	37.3	-17.2	0	0	0	113.5
559	L	26.6	Very low	28.7	Very low	151 Å²	151	133.8 Å²	133.8	79%	0.791	69%	0.685	S	S	*	*			trans	8.9	149.8	141.3	-62.8	165.3	0	0	0	121.6
560	K	27.3	Very low	28.9	Very low	198 Å²	198	132.8 Å²	132.8	86%	0.861	68%	0.679	S	S	*	*			trans	102.6	131.2	153.6	-67.1	171.9	-178.5	173.2	0	117.1
561	R	27.5	Very low	28.8	Very low	240 Å²	240	138.9 Å²	138.9	91%	0.906	69%	0.693	S	S	*	*			trans	-39.6	137.2	153.3	-66.1	166.9	165.2	153.5	-8	111.2
562	K	26.6	Very low	28.6	Very low	198 Å²	198	137.5 Å²	137.5	86%	0.861	68%	0.684	S	S	*	*				-150.2	111.4	116.6	-107.4	176.7	-177.7	-175.2	0	109.3	Y564	K562-Y564 VanDerWaalsContact C-N 3.3Å; K562-Y564 PolarHBondContact O-N 3.44Å; K562-Y564 VanDerWaalsContact O-N 3.16Å
563	C	26.2	Very low	28.7	Very low	131 Å²	131	139.9 Å²	139.9	89%	0.885	71%	0.706	S	S	*	*			trans	-69.2	101.2	146.2	-57.3	0	0	0	0	105.5
564	Y	26.3	Very low	28.9	Very low	181 Å²	181	141.3 Å²	141.3	71%	0.71	71%	0.714	S	S	*	*			trans	-148	116.8	143	-139.8	-96.5	0	0	0	109.3	K562 P566	K562-Y564 VanDerWaalsContact C-N 3.3Å; K562-Y564 PolarHBondContact O-N 3.44Å; K562-Y564 VanDerWaalsContact O-N 3.16Å; Y564-P566 VanDerWaalsContact O-CD 3.29Å; Y564-P566 WeakPolarHBondContact O-CD 3.34Å
565	N	35	Very low	28.9	Very low	100 Å²	100	143.7 Å²	143.7	54%	0.535	72%	0.72	S	S	.	*			trans	-66.8	125	167	-174.1	29.9	0	0	0	107.4	Q567	N565-Q567 PolarHBondContact ND2-N 3.35Å; N565-Q567 WeakPolarHBondContact O-CG 2.86Å; N565-Q567 PolarHBondContact OD1-N 3.46Å
566	P	32.2	Very low	29.1	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	72%	0.72	S	S	*	*			trans	-87.7	88	137	31.6	-22.7	0	0	0	105.4	Y564	Y564-P566 VanDerWaalsContact O-CD 3.29Å; Y564-P566 WeakPolarHBondContact O-CD 3.34Å
567	Q	31.2	Very low	29.4	Very low	117 Å²	117	141.1 Å²	141.1	55%	0.547	72%	0.719	S	S	.	*				55.1	130.7	82.8	-65.9	179.1	-23.5	0	0	112.3	N565	N565-Q567 PolarHBondContact ND2-N 3.35Å; N565-Q567 WeakPolarHBondContact O-CG 2.86Å; N565-Q567 PolarHBondContact OD1-N 3.46Å
568	M	28.2	Very low	29.6	Very low	118 Å²	118	142.8 Å²	142.8	58%	0.581	72%	0.718	S	S	*	*			cis	-166.5	147	-4.6	-119	-4.5	-172.9	0	0	107.7
569	N	29.9	Very low	30	Very low	107 Å²	107	141.5 Å²	141.5	57%	0.572	72%	0.716	S	S	*	*			trans	63.8	156.4	134.9	-62.7	2.6	0	0	0	120.3
570	N	31.3	Very low	30.6	Very low	109 Å²	109	139.3 Å²	139.3	58%	0.583	71%	0.713	S	S	*	*			cis	-166.5	164.5	-26	-105.1	-12.2	0	0	0	107.5	V572	N570-V572 HydrophobicContact CB-CB 4.43Å; N570-V572 HydrophobicContact CB-CG2 3.43Å; N570-V572 VanDerWaalsContact CB-CG2 3.43Å
571	Y	25.9	Very low	31.1	Very low	230 Å²	230	136 Å²	136	90%	0.902	71%	0.705	S	S	*	*	S	Bend	trans	-94.7	114.2	132.3	-135.7	-89.7	0	0	0	107.7
572	V	27.5	Very low	31.5	Very low	91 Å²	91	130.9 Å²	130.9	55%	0.552	70%	0.696	S	S	*	*			trans	-86.6	138.4	-171.4	173.6	0	0	0	0	109.2	N570 L574	N570-V572 HydrophobicContact CB-CB 4.43Å; N570-V572 HydrophobicContact CB-CG2 3.43Å; N570-V572 VanDerWaalsContact CB-CG2 3.43Å; V572-L574 VanDerWaalsContact CG1-N 3.3Å
573	P	29.5	Very low	31.9	Very low	113 Å²	113	126.2 Å²	126.2	73%	0.734	69%	0.688	S	S	*	*			trans	-113.8	116.9	135	-7.5	26.8	0	0	0	111
574	L	31.3	Very low	32.3	Very low	148 Å²	148	130 Å²	130	78%	0.775	69%	0.685	S	S	*	*	S	Bend	trans	56.7	124.3	152.8	-45.4	174.1	0	0	0	117.3	V572	V572-L574 VanDerWaalsContact CG1-N 3.3Å
575	D	27.4	Very low	32.8	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	69%	0.689	S	S	*	*			cis	-172.7	171.8	-3.4	-133.6	16.4	0	0	0	108
576	P	34	Very low	32.8	Very low	99 Å²	99	131.5 Å²	131.5	64%	0.643	70%	0.7	S	S	*	*			cis	-128.6	-174.8	-39.8	26.2	-5.2	0	0	0	113.4
577	S	36.5	Very low	33.1	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	69%	0.687	S	S	*	*			trans	94.4	111.5	142.6	68.7	0	0	0	0	123.9
578	Y	32.5	Very low	33.2	Very low	223 Å²	223	127 Å²	127	88%	0.875	69%	0.692	S	S	*	*			trans	48.5	139.6	135	-70.1	-97.3	0	0	0	122
579	A	37.7	Very low	33.4	Very low	70 Å²	70	124.5 Å²	124.5	58%	0.579	69%	0.685	S	S	*	*			cis	172.5	164.9	-5.7	0	0	0	0	0	108.8
580	S	39	Very low	33.5	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	69%	0.691	S	S	*	*			trans	65.3	145.3	147.9	66.2	0	0	0	0	120.5
581	D	37.3	Very low	33.6	Very low	130 Å²	130	126.7 Å²	126.7	70%	0.695	70%	0.702	S	S	*	*			cis	-162	154.1	-5	-122.3	15.8	0	0	0	114.3
582	N	35.4	Very low	33.7	Very low	132 Å²	132	120.7 Å²	120.7	71%	0.706	69%	0.693	S	S	*	*			trans	64.3	153.6	149.1	-63.9	-37.8	0	0	0	120.2
583	S	36.4	Very low	33.8	Very low	100 Å²	100	122.4 Å²	122.4	70%	0.699	70%	0.7	S	S	*	*			cis	-154.3	157.3	7.9	2	0	0	0	0	114.4
584	Y	34.4	Very low	33.9	Very low	210 Å²	210	120 Å²	120	82%	0.824	68%	0.683	S	S	*	*			trans	88.3	88.1	146.2	-94.4	-118.2	0	0	0	122.5
585	H	35.6	Very low	33.9	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.787	68%	0.683	S	S	*	*				83.6	84.1	127	-82	-76.3	0	0	0	123.5
586	D	35.3	Very low	33.9	Very low	142 Å²	142	118 Å²	118	76%	0.759	66%	0.662	S	S	*	*				-50.1	-178.9	125.5	-143.2	21.1	0	0	0	112.8
587	P	38	Very low	33.9	Very low	74 Å²	74	119.4 Å²	119.4	48%	0.481	66%	0.658	S	S	.	*			cis	-134.2	-178.7	-8.6	35.8	-15.2	0	0	0	115.9	L35	L35-P587 HydrophobicContact CD2-CG 4.12Å
588	G	34.3	Very low	34.2	Very low	62 Å²	62	118.7 Å²	118.7	64%	0.639	65%	0.651	S	S	*	*			trans	-178	130	163.2	0	0	0	0	0	112.4
589	C	32.2	Very low	34.2	Very low	66 Å²	66	116 Å²	116	45%	0.446	65%	0.649	S	S	.	*			trans	-105.7	-170.3	-158.6	-43.3	0	0	0	0	115.6	D34	D34-C589 HydrophobicContact CB-CB 4.44Å; D34-C589 VanDerWaalsContact OD1-C 3.25Å; D34-C589 WeakPolarHBondContact OD1-CA 3.46Å; D34-C589 VanDerWaalsContact OD1-CB 3.29Å; D34-C589 WeakPolarHBondContact OD1-CB 2.91Å; D34-C589 PolarHBondContact OD1-N 3.33Å; D34-C589 WeakPolarHBondContact OD2-CB 3.35Å; D34-C589 PolarHBondContact OD2-N 3.05Å
590	R	31.8	Very low	34.2	Very low	184 Å²	184	117.2 Å²	117.2	69%	0.694	65%	0.653	S	S	*	*			trans	36.1	107.3	146	-71.2	173	166.5	-155.8	-6.1	118.9	E33	E33-R590 PolarHBondContact O-NH1 3.19Å
591	G	32.9	Very low	33.9	Very low	78 Å²	78	115.7 Å²	115.7	80%	0.804	65%	0.654	S	S	*	*			trans	-169.5	138.5	156.1	0	0	0	0	0	110.5
592	S	28.9	Very low	33.8	Very low	104 Å²	104	119 Å²	119	73%	0.727	66%	0.663	S	S	*	*			trans	-92.8	163.8	179.3	72.1	0	0	0	0	112.9
593	D	29.7	Very low	34.2	Very low	128 Å²	128	117.1 Å²	117.1	68%	0.684	66%	0.658	S	S	*	*			trans	75.1	102.4	156.9	-62.5	-60.9	0	0	0	121.8
594	V	31.8	Very low	34.2	Very low	63 Å²	63	120.9 Å²	120.9	38%	0.382	66%	0.664	S	S	.	*				52.7	108.2	128.8	-160.2	0	0	0	0	117.8	K807	V594-K807 HydrophobicContact CG1-CD 4.41Å; V594-K807 HydrophobicContact CG2-CD 4.37Å
595	Y	30.3	Very low	34.5	Very low	199 Å²	199	113.8 Å²	113.8	78%	0.78	65%	0.649	S	S	*	*				-170.9	87.2	102.3	-102.9	-79.4	0	0	0	112.6	L809	Y595-L809 WeakPolarHBondContact O-CD1 3.41Å
596	S	28.9	Very low	34.7	Very low	40 Å²	40	110 Å²	110	28%	0.28	64%	0.642	S	S	.	*				82.7	173.9	126.8	-64.4	0	0	0	0	123.5	V808 L809	S596-V808 WeakPolarHBondContact OG-CA 3.45Å; S596-V808 WeakPolarHBondContact OG-CB 3.39Å; S596-V808 PolarHBondContact OG-N 2.9Å; S596-L809 VanDerWaalsContact CB-N 3.34Å; S596-L809 PolarHBondContact OG-N 3.11Å
597	F	32.6	Very low	35.1	Very low	129 Å²	129	106.4 Å²	106.4	57%	0.566	64%	0.637	S	S	*	*			trans	-99.1	-147.1	-173.4	-34.6	-81.2	0	0	0	113.5	S806 K807 V808 L809	F597-S806 WeakPolarHBondContact CZ-O 3.35Å; F597-K807 WeakPolarHBondContact CD1-O 3.45Å; F597-K807 WeakPolarHBondContact CG-O 3.44Å; F597-V808 WeakPolarHBondContact CA-O 3.48Å; F597-V808 WeakPolarHBondContact CB-O 3.33Å; F597-V808 WeakPolarHBondContact CD2-O 3.36Å; F597-V808 PolarHBondContact N-O 2.86Å; F597-L809 VanDerWaalsContact O-CB 3.25Å; F597-L809 WeakPolarHBondContact O-CB 3.36Å; F597-L809 WeakPolarHBondContact O-CD1 3.45Å
598	P	43.1	Very low	35.4	Very low	83 Å²	83	109.4 Å²	109.4	54%	0.539	65%	0.65	S	S	.	*			cis	-129.3	-168.8	-40.9	31.4	-11.9	0	0	0	113.7
599	M	32.4	Very low	35.5	Very low	166 Å²	166	112.2 Å²	112.2	82%	0.818	66%	0.658	S	S	*	*			trans	73.4	103.9	162.9	-60	-62.5	174.3	0	0	116.2
600	S	38.1	Very low	35.7	Very low	97 Å²	97	114.2 Å²	114.2	68%	0.678	67%	0.671	S	S	*	*			cis	101.1	139.1	37.5	73.7	0	0	0	0	112.9
601	G	32.8	Very low	35.8	Very low	73 Å²	73	111.8 Å²	111.8	75%	0.753	68%	0.677	S	S	*	*			trans	-158.2	9.6	-167.2	0	0	0	0	0	121.2
602	F	35	Very low	36	Very low	200 Å²	200	111.9 Å²	111.9	88%	0.877	67%	0.665	S	S	*	*			trans	61.2	165.8	164.3	-77.8	-97.6	0	0	0	120.8
603	P	44.6	Very low	36.4	Very low	92 Å²	92	114.7 Å²	114.7	60%	0.597	67%	0.667	S	S	*	*			trans	-135.1	-163.7	-164	38	-15.9	0	0	0	116.7
604	H	36.2	Very low	37	Very low	178 Å²	178	114.5 Å²	114.5	82%	0.824	67%	0.666	S	S	*	*			trans	92.1	147.8	169.5	-60.9	-70.9	0	0	0	118.8
605	A	40.2	Very low	37.5	Very low	61 Å²	61	115.5 Å²	115.5	50%	0.504	67%	0.672	S	S	.	*			cis	-171.3	174	-17.7	0	0	0	0	0	114.3	N1410	A605-N1410 PolarHBondContact O-ND2 2.97Å; A605-N1410 PolarHBondContact O-OD1 3.46Å; A605-N1410 VanDerWaalsContact O-OD1 3.13Å
606	S	40.2	Very low	37.9	Very low	92 Å²	92	110.9 Å²	110.9	64%	0.643	66%	0.661	S	S	*	*			trans	71.5	143.7	149.4	104.8	0	0	0	0	124.6	N1410	S606-N1410 PolarHBondContact O-ND2 2.56Å; S606-N1410 VanDerWaalsContact O-ND2 3.09Å; S606-N1410 PolarHBondContact OG-ND2 3.48Å; S606-N1410 PolarHBondContact OG-OD1 3.13Å
607	G	44	Very low	38.4	Very low	65 Å²	65	110.5 Å²	110.5	67%	0.67	66%	0.658	S	S	*	*			trans	165.4	102.3	165.7	0	0	0	0	0	118.1
608	D	42.8	Very low	38.7	Very low	138 Å²	138	109.2 Å²	109.2	74%	0.738	66%	0.655	S	S	*	*			trans	55.2	147.8	139.2	-53.5	-26.6	0	0	0	128.7
609	C	37.4	Very low	38.3	Very low	121 Å²	121	108.7 Å²	108.7	82%	0.818	65%	0.648	S	S	*	*			trans	71.8	153.1	150.6	-72	0	0	0	0	121.8
610	C	36.6	Very low	38.3	Very low	107 Å²	107	107 Å²	107	72%	0.723	64%	0.636	S	S	*	*			cis	-172.4	161.5	-19.7	-113.8	0	0	0	0	113
611	V	34.5	Very low	38	Very low	134 Å²	134	107.3 Å²	107.3	81%	0.812	63%	0.63	S	S	*	*			trans	67.6	145.7	142.6	164	0	0	0	0	119.4
612	S	35.3	Very low	38.1	Very low	79 Å²	79	111.5 Å²	111.5	55%	0.552	63%	0.63	S	S	*	*			cis	-165.9	-172.1	-14.7	47.6	0	0	0	0	112.1
613	E	39.2	Very low	38.3	Very low	164 Å²	164	106.8 Å²	106.8	77%	0.766	62%	0.619	S	S	*	*			trans	83.8	135.6	157.5	-76	151.4	-120	0	0	120.5
614	D	40.9	Very low	37.8	Very low	123 Å²	123	108.5 Å²	108.5	66%	0.658	63%	0.627	S	S	*	*			cis	-161.1	154.4	-13.1	-135.6	27.1	0	0	0	115.7
615	T	42	Very low	37.6	Very low	84 Å²	84	104.4 Å²	104.4	52%	0.515	62%	0.619	S	S	.	*			trans	35.8	156.6	147.2	55.6	0	0	0	0	124.2
616	D	38.9	Very low	37.4	Very low	102 Å²	102	110.4 Å²	110.4	55%	0.545	63%	0.634	S	S	.	*			cis	-154.8	121.8	-28.2	-114.2	-6.8	0	0	0	114.7
617	S	39.2	Very low	37	Very low	32 Å²	32	110.7 Å²	110.7	22%	0.224	64%	0.636	C	S	.	*				41.9	116.1	97.8	-33.7	0	0	0	0	123.3	T77 T78	T77-S617 VanDerWaalsContact CA-CB 3.47Å; T77-S617 VanDerWaalsContact CB-CB 3.44Å; T78-S617 VanDerWaalsContact OG1-C 3.25Å; T78-S617 WeakPolarHBondContact OG1-CA 3.5Å
618	M	38.6	Very low	36.5	Very low	102 Å²	102	116 Å²	116	50%	0.502	64%	0.641	S	S	.	*			trans	-147	136.7	143.3	-82.6	-50	133.1	0	0	116.3	V76 T77 T78	V76-M618 VanDerWaalsContact C-SD 3.52Å; V76-M618 HydrophobicContact CB-SD 3.54Å; V76-M618 VanDerWaalsContact CB-SD 3.54Å; V76-M618 HydrophobicContact CG1-CB 3.42Å; V76-M618 VanDerWaalsContact CG1-CB 3.42Å; V76-M618 HydrophobicContact CG1-CG 3.7Å; V76-M618 HydrophobicContact CG1-SD 3.25Å; V76-M618 WeakPolarHBondContact CG1-SD 3.4Å; T77-M618 HydrophobicContact CG2-CE 4.19Å; T77-M618 VanDerWaalsContact N-CA 3.28Å; T78-M618 WeakPolarHBondContact CA-O 3.48Å; T78-M618 WeakPolarHBondContact CB-O 3.25Å; T78-M618 WeakPolarHBondContact CG2-O 3.49Å; T78-M618 VanDerWaalsContact N-CA 3.31Å; T78-M618 PolarHBondContact N-O 2.74Å; T78-M618 PolarHBondContact OG1-N 3.35Å
619	L	36	Very low	36.2	Very low	73 Å²	73	115.9 Å²	115.9	38%	0.382	64%	0.636	S	S	.	*			trans	-137.1	-171.3	-160.1	-94.2	165.6	0	0	0	115.7	V76 T77	V76-L619 VanDerWaalsContact C-N 3.32Å; V76-L619 WeakPolarHBondContact CA-O 3.28Å; V76-L619 WeakPolarHBondContact CB-O 3.34Å; V76-L619 WeakPolarHBondContact CG1-O 3.26Å; V76-L619 VanDerWaalsContact CG2-O 3.25Å; V76-L619 WeakPolarHBondContact CG2-O 3.49Å; T77-L619 VanDerWaalsContact C-CD1 3.5Å; T77-L619 WeakPolarHBondContact O-CD1 3.06Å; T77-L619 WeakPolarHBondContact O-CG 3.23Å
620	F	31.9	Very low	36.2	Very low	130 Å²	130	117.7 Å²	117.7	57%	0.57	63%	0.632	S	S	*	*			trans	76.8	164.8	131.4	-86.6	-24.3	0	0	0	119.1
621	N	32.6	Very low	35.9	Very low	104 Å²	104	121.6 Å²	121.6	56%	0.556	64%	0.637	S	S	*	*			cis	-146.2	146.2	-3	-111.2	-40.7	0	0	0	107
622	H	34.5	Very low	36	Very low	160 Å²	160	120.4 Å²	120.4	74%	0.741	63%	0.632	S	S	*	*				93.9	-174	57.9	-133.7	-13.3	0	0	0	113.4
623	P	38.3	Very low	35.7	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	64%	0.643	S	S	*	*				-121.2	174.2	-125.2	43.3	-29.2	0	0	0	118.5
624	V	35.6	Very low	35.2	Very low	128 Å²	128	121.4 Å²	121.4	78%	0.776	64%	0.638	S	S	*	*			trans	-152.6	141.4	156.2	157.8	0	0	0	0	107.4
625	S	31.5	Very low	34.5	Very low	92 Å²	92	124.7 Å²	124.7	64%	0.643	65%	0.647	S	S	*	*			cis	112.2	152.5	1.9	89.7	0	0	0	0	117.5
626	K	35.6	Very low	33.9	Very low	187 Å²	187	128.1 Å²	128.1	81%	0.813	66%	0.66	S	S	*	*			trans	77.1	132.7	-172	-52.6	169.7	-175.3	175.2	0	115.5
627	S	32.1	Very low	33.4	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	67%	0.672	S	S	*	*			cis	87.1	118.4	16.2	86.3	0	0	0	0	117.4
628	F	34	Very low	32.9	Very low	176 Å²	176	138.8 Å²	138.8	77%	0.772	70%	0.696	S	S	*	*			trans	-176.4	136.4	141	-116.5	-132.8	0	0	0	112.2
629	E	34.9	Very low	32.6	Very low	135 Å²	135	138.6 Å²	138.6	63%	0.631	71%	0.705	S	S	*	*			trans	51.3	150.2	135.3	-60	-160.2	128.3	0	0	122.8
630	Q	37.1	Very low	32.4	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	72%	0.719	S	S	*	*			cis	-156.6	168	0.3	-121.3	169.9	31.8	0	0	111.3
631	K	31.4	Very low	32.5	Very low	190 Å²	190	142.4 Å²	142.4	83%	0.826	73%	0.727	S	S	*	*			trans	-87.9	-178.4	166.8	-89.2	-178.5	178	177.9	0	109.7
632	P	35.9	Very low	32.5	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	73%	0.731	S	S	*	*			cis	-150.9	174.2	21.2	45.7	-24.5	0	0	0	120.2
633	H	30.3	Very low	32.4	Very low	168 Å²	168	142.1 Å²	142.1	78%	0.778	73%	0.73	S	S	*	*			trans	54.3	137.7	136.7	-80.3	-124.4	0	0	0	125.7
634	S	28.3	Very low	32.5	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	74%	0.736	S	S	*	*				101.6	115.7	124.2	63	0	0	0	0	124.1
635	F	25.5	Very low	32.6	Very low	191 Å²	191	145.1 Å²	145.1	84%	0.838	73%	0.725	S	S	*	*			trans	71.1	153.9	131.8	-85.7	-106.2	0	0	0	122.5
636	I	30	Very low	32.4	Very low	156 Å²	156	147.6 Å²	147.6	80%	0.8	72%	0.724	S	S	*	*			trans	71.1	141.5	157.5	-73.4	159.4	0	0	0	116.2
637	R	28.2	Very low	32.1	Very low	207 Å²	207	145 Å²	145	78%	0.781	72%	0.715	S	S	*	*			cis	-165.2	159.3	-20.8	-179.6	175	-171.9	177.3	4.6	108.5
638	M	29.2	Very low	31.9	Very low	151 Å²	151	146 Å²	146	74%	0.744	71%	0.713	S	S	*	*			trans	-21.5	144.8	166.4	-49.1	135.8	162.6	0	0	116.6
639	S	32	Very low	31.6	Very low	98 Å²	98	143 Å²	143	69%	0.685	71%	0.709	S	S	*	*				163.3	157.2	104	-70.7	0	0	0	0	114.4
640	N	31.2	Very low	31.3	Very low	127 Å²	127	141.2 Å²	141.2	68%	0.679	71%	0.712	S	S	*	*			trans	71.2	106.2	153.9	-62.5	-13.5	0	0	0	117.5
641	Q	35.2	Very low	30.8	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	72%	0.715	S	S	*	*				81.5	137.7	77.5	-78.8	-178	76.6	0	0	111
642	I	32.7	Very low	30.6	Very low	125 Å²	125	136.5 Å²	136.5	64%	0.641	71%	0.708	S	S	*	*			cis	-157.3	151.8	35.9	-134.5	149.7	0	0	0	111.7
643	N	32.5	Very low	30.2	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	71%	0.712	S	S	*	*			trans	41.6	120.4	154	-53.8	-13.7	0	0	0	119.6
644	R	39.3	Very low	30.2	Very low	207 Å²	207	138 Å²	138	78%	0.781	71%	0.713	S	S	*	*			cis	61.9	157	33.9	-121.8	-165.2	-165.5	-134.2	9.4	112
645	P	37.1	Very low	30.4	Very low	85 Å²	85	139.3 Å²	139.3	55%	0.552	72%	0.719	S	S	*	*			cis	-147.3	-177	1.2	47.7	-29.9	0	0	0	117.6
646	F	28.2	Very low	30.5	Very low	144 Å²	144	136.4 Å²	136.4	63%	0.632	71%	0.711	S	S	*	*			trans	68.6	152	141.5	-62.1	-22.1	0	0	0	122.1
647	E	28.9	Very low	30.4	Very low	131 Å²	131	137.5 Å²	137.5	61%	0.612	71%	0.711	S	S	*	*			cis	-165.4	157.2	-11.8	-113.7	171.8	166.3	0	0	114.1
648	N	28.1	Very low	30.4	Very low	122 Å²	122	134.6 Å²	134.6	65%	0.652	71%	0.706	S	S	*	*			trans	55.1	151	139.2	-60.7	-17.4	0	0	0	122.3
649	T	29	Very low	30.4	Very low	111 Å²	111	133.5 Å²	133.5	68%	0.681	70%	0.703	S	S	*	*			cis	-171.7	147.5	-8.6	23.7	0	0	0	0	111.9
650	S	28	Very low	30.2	Very low	99 Å²	99	135 Å²	135	69%	0.692	70%	0.699	S	S	*	*			trans	59.4	163.2	142.7	72.1	0	0	0	0	122.3
651	N	26.8	Very low	29.9	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	69%	0.691	S	S	*	*			cis	-166.9	155.4	-31	-101.4	-8.3	0	0	0	112.8
652	S	27	Very low	29.4	Very low	99 Å²	99	133 Å²	133	69%	0.692	69%	0.691	S	S	*	*			trans	50.1	110.3	144.4	65.5	0	0	0	0	126.2
653	N	26.7	Very low	28.9	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	70%	0.703	S	S	*	*				48.3	128.1	113	-66	-15.4	0	0	0	126.8
654	M	29.7	Very low	28.7	Very low	161 Å²	161	134.3 Å²	134.3	79%	0.793	71%	0.707	S	S	*	*			trans	72	163.1	132.1	-67.6	-62.2	167.6	0	0	120.1
655	P	32.8	Very low	28	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	71%	0.705	S	S	*	*			cis	-134.8	-127.9	23	42.9	-20.9	0	0	0	118.3
656	L	28	Very low	27.5	Very low	131 Å²	131	130.7 Å²	130.7	69%	0.686	70%	0.702	S	S	*	*			trans	-133.2	165.3	-142.6	-70.8	159.1	0	0	0	117.9
657	F	27.3	Very low	27.6	Very low	178 Å²	178	128.8 Å²	128.8	78%	0.781	69%	0.694	S	S	*	*			trans	72.7	151.3	165.5	-58.5	-68.5	0	0	0	117.5
658	H	29.6	Very low	27.6	Very low	146 Å²	146	127.2 Å²	127.2	68%	0.676	69%	0.693	S	S	*	*			cis	-153.7	152.9	17.8	-145.4	-53	0	0	0	113.7
659	N	28.4	Very low	27.4	Very low	129 Å²	129	129.2 Å²	129.2	69%	0.69	69%	0.692	S	S	*	*			trans	78.9	145.2	150.7	-92.9	6.6	0	0	0	125.9
660	E	27.7	Very low	27.3	Very low	128 Å²	128	126.6 Å²	126.6	60%	0.598	68%	0.678	S	S	*	*			trans	59.9	97.3	153.4	-66.1	-66.6	163.7	0	0	122
661	R	25.7	Very low	27.2	Very low	135 Å²	135	126.4 Å²	126.4	51%	0.509	67%	0.668	S	S	.	*			trans	56.5	114	133.8	-77.2	-177	160.2	174.8	-8.7	122.5
662	C	23	Very low	27.1	Very low	108 Å²	108	126 Å²	126	73%	0.73	67%	0.666	S	S	*	*			trans	75	104.9	132.9	-61.9	0	0	0	0	120
663	L	23.5	Very low	27.4	Very low	172 Å²	172	126.6 Å²	126.6	90%	0.901	67%	0.667	S	S	*	*			trans	64.8	78.9	137.7	-60.7	170	0	0	0	118.5
664	S	27.4	Very low	27.6	Very low	114 Å²	114	126 Å²	126	80%	0.797	68%	0.675	S	S	*	*			trans	-142.7	102	138.6	48.4	0	0	0	0	112.2
665	V	26.1	Very low	27.5	Very low	123 Å²	123	121 Å²	121	75%	0.745	67%	0.665	S	S	*	*				63.3	125.6	102.8	-139.9	0	0	0	0	117.6
666	N	26.1	Very low	27.2	Very low	92 Å²	92	123.2 Å²	123.2	49%	0.492	67%	0.67	S	S	.	*			trans	100.6	77	156.3	-62.5	-53	0	0	0	121.7
667	K	30	Very low	26.9	Very low	104 Å²	104	120.2 Å²	120.2	45%	0.452	66%	0.664	S	S	.	*			trans	73.3	-175.2	130.4	-61.6	157.5	173.7	70.9	0	114.9	Q1358 F1360	K667-Q1358 WeakPolarHBondContact CD-O 3.09Å; K667-F1360 HydrophobicContact CB-CB 4.12Å; K667-F1360 HydrophobicContact CB-CD1 4.32Å; K667-F1360 HydrophobicContact CB-CG 4.36Å; K667-F1360 HydrophobicContact CD-CB 3.82Å; K667-F1360 HydrophobicContact CD-CD2 4.5Å; K667-F1360 HydrophobicContact CD-CG 4.22Å; K667-F1360 HydrophobicContact CG-CB 3.95Å; K667-F1360 HydrophobicContact CG-CD1 4.22Å; K667-F1360 HydrophobicContact CG-CD2 4.38Å; K667-F1360 HydrophobicContact CG-CG 3.96Å
668	T	27.8	Very low	26.8	Very low	98 Å²	98	121 Å²	121	60%	0.601	67%	0.67	S	S	*	*			cis	-150.8	122.1	12	159.3	0	0	0	0	116.1	F1360	T668-F1360 WeakPolarHBondContact OG1-CA 3.2Å; T668-F1360 PolarHBondContact OG1-N 3.31Å
669	R	25.3	Very low	26.5	Very low	164 Å²	164	119 Å²	119	62%	0.619	66%	0.663	S	S	*	*			trans	137.5	106.6	135.6	-150.1	176.8	-147.4	-121.9	11.7	110.7	P1361 N1362	R669-P1361 CarbonylContact C-O 3.41Å; R669-P1361 VanDerWaalsContact CA-O 3.28Å; R669-P1361 WeakPolarHBondContact CA-O 3.48Å; R669-P1361 WeakPolarHBondContact CG-O 3.15Å; R669-N1362 PolarHBondContact NH1-O 3.08Å
670	S	25.5	Very low	26.5	Very low	56 Å²	56	120.7 Å²	120.7	39%	0.392	67%	0.667	S	S	.	*			trans	-164.9	-170.8	-175.3	69.4	0	0	0	0	114.3	F1360 P1361 N1362	S670-F1360 WeakPolarHBondContact OG-CE1 3.43Å; S670-P1361 PolarHBondContact N-O 2.97Å; S670-N1362 WeakPolarHBondContact O-CA 3.37Å; S670-N1362 PolarHBondContact O-ND2 3.26Å
671	I	27.3	Very low	26.4	Very low	96 Å²	96	119.2 Å²	119.2	49%	0.492	67%	0.671	S	S	.	*			trans	-144.5	161.8	177.8	59.7	169.9	0	0	0	112.9	N1362 S1363	I671-N1362 HydrophobicContact CG2-CB 3.55Å; I671-S1363 WeakPolarHBondContact CD1-OG 3.37Å
672	N	25	Very low	26.6	Very low	143 Å²	143	118.5 Å²	118.5	77%	0.765	68%	0.677	S	S	*	*			trans	-74.2	171.9	155.9	-73.5	-12.2	0	0	0	110.3
673	P	31.8	Very low	26.9	Very low	110 Å²	110	122.7 Å²	122.7	71%	0.714	68%	0.678	S	S	*	*			cis	-134.4	143.8	15	38.4	-19.9	0	0	0	117.5
674	S	32.3	Very low	27.2	Very low	135 Å²	135	119.7 Å²	119.7	94%	0.944	67%	0.672	S	S	*	*				-112.5	118.3	124.1	-71.5	0	0	0	0	105.5
675	G	27.7	Very low	27.1	Very low	57 Å²	57	122 Å²	122	59%	0.588	67%	0.674	S	S	*	*			trans	169.8	76.9	-164.8	0	0	0	0	0	113.3
676	D	24.7	Very low	27.2	Very low	169 Å²	169	121.1 Å²	121.1	90%	0.904	67%	0.671	S	S	*	*			trans	63.7	-178.1	138.8	-90.7	-60.4	0	0	0	121.2
677	A	23.1	Very low	27.1	Very low	68 Å²	68	122.5 Å²	122.5	56%	0.562	68%	0.683	S	S	*	*			trans	73.3	43.9	153.2	0	0	0	0	0	117.8
678	H	24.1	Very low	26.9	Very low	193 Å²	193	121.8 Å²	121.8	89%	0.894	69%	0.691	S	S	*	*				58.5	-137.6	114.6	-174.6	-109.3	0	0	0	114
679	I	23.9	Very low	26.8	Very low	106 Å²	106	123.6 Å²	123.6	54%	0.544	70%	0.697	S	S	.	*			trans	65.4	86.5	160.8	-49.5	-174.9	0	0	0	115.1
680	Q	27.7	Very low	27	Very low	164 Å²	164	125 Å²	125	77%	0.766	71%	0.71	S	S	*	*			trans	79.7	102.9	142.8	-65.1	161.9	-1.3	0	0	115.1
681	S	26.9	Very low	27.2	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	72%	0.723	S	S	*	*				71.3	144.3	69.5	81.2	0	0	0	0	111.7
682	L	29.4	Very low	27.4	Very low	120 Å²	120	128.3 Å²	128.3	63%	0.628	74%	0.736	S	S	*	*			cis	-136.2	176	30	-65.1	149	0	0	0	112.4
683	Y	29.1	Very low	27.6	Very low	195 Å²	195	127.4 Å²	127.4	77%	0.765	73%	0.727	S	S	*	*			trans	66.9	102.2	164	-49.3	-57.4	0	0	0	115.6
684	S	30.1	Very low	27.4	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	72%	0.723	S	S	*	*				86.4	114.6	69.9	-71.2	0	0	0	0	112.9
685	L	24.5	Very low	27.3	Very low	162 Å²	162	131.4 Å²	131.4	85%	0.848	71%	0.71	S	S	*	*			trans	-37	157	141.6	-71.9	165.2	0	0	0	112.6
686	P	28.3	Very low	27.4	Very low	104 Å²	104	135.8 Å²	135.8	68%	0.675	72%	0.715	S	S	*	*			cis	-141.3	-148.5	-7.9	34	-9.6	0	0	0	112.1
687	V	25.3	Very low	27.4	Very low	121 Å²	121	137.7 Å²	137.7	73%	0.733	71%	0.709	S	S	*	*			trans	69.8	89.5	142.2	165.4	0	0	0	0	118.2
688	S	24.9	Very low	27.6	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	72%	0.715	S	S	*	*				91.1	149.8	113.8	85.8	0	0	0	0	122.9
689	N	25.8	Very low	28.1	Very low	136 Å²	136	136.1 Å²	136.1	73%	0.727	70%	0.704	S	S	*	*			trans	50.4	104.5	135.1	-60.7	-6.3	0	0	0	121.2
690	Q	30.5	Very low	28.2	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	72%	0.716	S	S	*	*				-172.4	147.7	121.2	-97.8	146.9	92.2	0	0	108
691	S	28.3	Very low	28.3	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	72%	0.715	S	S	*	*			cis	-157.5	-164.9	-14.3	38.5	0	0	0	0	105.5
692	V	31.9	Very low	28.3	Very low	129 Å²	129	138.9 Å²	138.9	78%	0.782	72%	0.721	S	S	*	*			cis	-157.3	142.1	16.8	177	0	0	0	0	105.3
693	H	29.9	Very low	28.5	Very low	124 Å²	124	138.6 Å²	138.6	57%	0.574	72%	0.72	S	S	*	*			cis	-164	142	-25.7	-126.7	-146	0	0	0	107.8
694	Y	27	Very low	28.5	Very low	159 Å²	159	135.5 Å²	135.5	62%	0.624	72%	0.717	S	S	*	*			trans	65.5	155.2	144.9	-66.2	-175.5	0	0	0	119.6
695	Y	30.1	Very low	28.6	Very low	169 Å²	169	136.4 Å²	136.4	66%	0.663	71%	0.713	S	S	*	*			cis	-144.6	174.7	1.9	-120.8	-36.1	0	0	0	112.8
696	Q	29.3	Very low	28.8	Very low	150 Å²	150	135.3 Å²	135.3	70%	0.701	71%	0.706	S	S	*	*			trans	-11.9	160.9	164.7	-76.4	162.5	-102.1	0	0	120.2
697	R	25.1	Very low	28.7	Very low	208 Å²	208	137.6 Å²	137.6	79%	0.785	71%	0.708	S	S	*	*			cis	156.9	143	-18.2	-121.8	-176.4	177.2	-171.2	3.7	105.5
698	D	28.2	Very low	28.8	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	71%	0.708	S	S	*	*			trans	62.5	-176.6	153.1	-41.8	-30	0	0	0	116.5
699	P	33.3	Very low	28.9	Very low	100 Å²	100	139 Å²	139	65%	0.649	71%	0.712	S	S	*	*				-137	166.5	-98.7	40.2	-21.7	0	0	0	117.4
700	N	26.8	Very low	29	Very low	150 Å²	150	137.6 Å²	137.6	80%	0.802	71%	0.712	S	S	*	*			trans	63.6	179.7	162.8	-62.8	-27.9	0	0	0	117.2
701	T	28.6	Very low	29	Very low	122 Å²	122	136 Å²	136	75%	0.748	70%	0.704	S	S	*	*			trans	57.8	99.3	162.8	41.2	0	0	0	0	119.2
702	L	28.5	Very low	29.1	Very low	153 Å²	153	138.2 Å²	138.2	80%	0.801	71%	0.707	S	S	*	*				73.6	166	125.2	-113.8	66.3	0	0	0	120.8
703	D	32.2	Very low	29.2	Very low	115 Å²	115	137.9 Å²	137.9	62%	0.615	71%	0.705	S	S	*	*			trans	53.7	91.5	165.3	-63.9	-57.2	0	0	0	119.9
704	N	28.9	Very low	29.3	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	71%	0.712	S	S	*	*				64.3	156.8	102.6	-68.7	-38.4	0	0	0	121.3
705	D	32.6	Very low	29.5	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	72%	0.715	S	S	*	*			trans	66.4	115.7	154.3	-64	-11.7	0	0	0	119
706	I	28.7	Very low	29.5	Very low	139 Å²	139	133.8 Å²	133.8	71%	0.713	72%	0.722	S	S	*	*				54.8	115.6	80.6	-63.9	171.5	0	0	0	108.8
707	Q	27.8	Very low	29.6	Very low	153 Å²	153	130.8 Å²	130.8	72%	0.715	72%	0.718	S	S	*	*			cis	168	-165.8	14.8	-169.6	176.2	-86.8	0	0	103.8
708	L	26.6	Very low	29.8	Very low	137 Å²	137	128.2 Å²	128.2	72%	0.717	72%	0.719	S	S	*	*			trans	71.9	143.9	150.3	-76.6	161.2	0	0	0	120.4
709	S	26.5	Very low	29.8	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	72%	0.715	S	S	*	*			trans	66.8	146.9	149.7	-59.8	0	0	0	0	118.4
710	C	27.9	Very low	29.6	Very low	106 Å²	106	129.6 Å²	129.6	72%	0.716	71%	0.713	S	S	*	*			cis	-153.4	-171.4	-13.9	-116.9	0	0	0	0	106.5
711	E	30.4	Very low	29.6	Very low	160 Å²	160	130 Å²	130	75%	0.748	71%	0.709	S	S	*	*			cis	-166.1	173.7	22.6	-149.1	156.5	-115.6	0	0	110.2
712	I	31.6	Very low	29.6	Very low	140 Å²	140	131.1 Å²	131.1	72%	0.718	71%	0.706	S	S	*	*			trans	52.4	121.5	167.7	11	179.3	0	0	0	116.3
713	V	32.6	Very low	29.5	Very low	122 Å²	122	130.3 Å²	130.3	74%	0.739	70%	0.698	S	S	*	*			cis	-147	125.2	45.7	170.5	0	0	0	0	113
714	N	32.1	Very low	29.3	Very low	132 Å²	132	133 Å²	133	71%	0.706	71%	0.705	S	S	*	*			trans	56.7	97.2	148.9	-58.4	-0.3	0	0	0	122
715	S	31.5	Very low	29.2	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	70%	0.698	S	S	*	*				89.6	123.3	103.8	73.7	0	0	0	0	122.2
716	V	31.3	Very low	29.3	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	70%	0.698	S	S	*	*			trans	69.9	115.7	132.2	171	0	0	0	0	115.9
717	S	30.7	Very low	29.3	Very low	88 Å²	88	131.4 Å²	131.4	62%	0.615	70%	0.699	S	S	*	*			cis	174.3	162.6	18	-110.7	0	0	0	0	110.2
718	L	28.9	Very low	29.4	Very low	154 Å²	154	130.6 Å²	130.6	81%	0.806	70%	0.7	S	S	*	*			trans	60.8	142.6	146.8	-66.8	168.1	0	0	0	117.7
719	Q	28.3	Very low	29.5	Very low	130 Å²	130	128.1 Å²	128.1	61%	0.607	69%	0.69	S	S	*	*			cis	168.9	168.7	7	176.4	64	15.9	0	0	104.5
720	E	28.8	Very low	29.5	Very low	127 Å²	127	129.2 Å²	129.2	59%	0.593	68%	0.68	S	S	*	*			trans	52.8	103.4	164.6	-98.4	94.6	-113.3	0	0	117.5
721	Q	28.3	Very low	29.6	Very low	157 Å²	157	127.4 Å²	127.4	73%	0.734	67%	0.668	S	S	*	*				77.5	169.3	86.5	-78.2	-172.1	3.2	0	0	114.5
722	Q	27	Very low	29.4	Very low	146 Å²	146	126 Å²	126	68%	0.682	67%	0.666	S	S	*	*			trans	54.5	124	164.8	-66.8	-170.2	-70.6	0	0	116.4
723	E	26.8	Very low	29.2	Very low	136 Å²	136	124.8 Å²	124.8	64%	0.636	66%	0.664	S	S	*	*			cis	169.1	-176.4	14.7	-119.4	165.1	-155.7	0	0	104.1
724	F	27.7	Very low	29.1	Very low	171 Å²	171	127.2 Å²	127.2	75%	0.75	67%	0.665	S	S	*	*			trans	46.3	131.2	146.5	-83.5	-121.5	0	0	0	120.9
725	S	27.4	Very low	28.9	Very low	80 Å²	80	125.5 Å²	125.5	56%	0.559	66%	0.664	S	S	*	*			cis	-179.8	158.6	0.2	42.1	0	0	0	0	111.2
726	Q	34.2	Very low	28.7	Very low	144 Å²	144	128.8 Å²	128.8	67%	0.673	67%	0.672	S	S	*	*			trans	67.6	97.6	141.6	-71.7	165	19.2	0	0	119.4
727	N	28.5	Very low	28.3	Very low	140 Å²	140	127.5 Å²	127.5	75%	0.749	67%	0.669	S	S	*	*				88.4	146.9	110.1	-66.6	-8.1	0	0	0	120.1
728	N	29.6	Very low	28	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	68%	0.68	S	S	*	*			cis	167.5	156.2	-26.9	-139.7	-15.7	0	0	0	105.1
729	V	29.3	Very low	27.8	Very low	84 Å²	84	130.4 Å²	130.4	51%	0.509	68%	0.679	S	S	.	*			trans	65.9	118.2	158.5	178.5	0	0	0	0	115.8
730	Y	26.8	Very low	27.9	Very low	127 Å²	127	129.2 Å²	129.2	50%	0.498	68%	0.683	S	S	.	*			cis	-131.2	140.4	47.2	-82.3	-94.5	0	0	0	110	S79	S79-Y730 WeakPolarHBondContact CB-O 3.19Å; S79-Y730 WeakPolarHBondContact OG-CB 3.5Å; S79-Y730 PolarHBondContact OG-O 2.82Å
731	S	29.3	Very low	27.9	Very low	67 Å²	67	130 Å²	130	47%	0.469	69%	0.691	S	S	.	*			cis	67.2	115.4	26.4	88.1	0	0	0	0	113.6
732	N	27	Very low	28.3	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	69%	0.694	S	S	*	*				-168.4	148.3	57.8	-88.9	-62.8	0	0	0	115
733	V	27.9	Very low	28.6	Very low	114 Å²	114	128.6 Å²	128.6	69%	0.691	70%	0.7	S	S	*	*			trans	62.5	131.3	134.1	170.7	0	0	0	0	119.6
734	K	28.9	Very low	29	Very low	173 Å²	173	127.8 Å²	127.8	75%	0.752	71%	0.707	S	S	*	*			cis	-154.5	139.2	-8.7	-106.6	173	-166.3	178.7	0	106.4
735	S	27.8	Very low	29.3	Very low	97 Å²	97	125.8 Å²	125.8	68%	0.678	71%	0.709	S	S	*	*				54.1	123.2	92.8	-42.1	0	0	0	0	113.8
736	L	27.8	Very low	29.6	Very low	167 Å²	167	128.6 Å²	128.6	87%	0.874	72%	0.717	S	S	*	*				53.6	146.4	57.7	-73.1	173.4	0	0	0	114.7
737	S	24	Very low	29.4	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	72%	0.721	S	S	*	*			trans	75.1	153.2	166.5	74.3	0	0	0	0	119.8
738	F	23.5	Very low	29.4	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.842	72%	0.723	S	S	*	*			trans	-29.4	172.5	161.1	-67.2	-100.9	0	0	0	119.5
739	S	25.7	Very low	29.7	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	73%	0.728	S	S	*	*			trans	85.6	157	148.7	-68.3	0	0	0	0	118.4
740	P	29.8	Very low	29.8	Very low	105 Å²	105	136.7 Å²	136.7	68%	0.682	74%	0.743	S	S	*	*			trans	-99.5	-173	-163.3	41	-37.7	0	0	0	114.3
741	N	29	Very low	30.3	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	75%	0.749	S	S	*	*			trans	83.4	116.4	161.4	-57.2	-15.5	0	0	0	119.5
742	N	35.4	Very low	30.2	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	77%	0.765	S	S	*	*			trans	36.1	147.3	143.1	-63.2	-11.2	0	0	0	124.1
743	P	34	Very low	30.5	Very low	126 Å²	126	138.8 Å²	138.8	82%	0.818	77%	0.768	S	S	*	*			trans	-90.2	137.1	165.4	35.8	-30.9	0	0	0	112.9
744	P	35.8	Very low	30.4	Very low	119 Å²	119	139.3 Å²	139.3	77%	0.773	77%	0.77	S	S	*	*			trans	-121	158	171.6	39.5	-29.9	0	0	0	114
745	T	33.7	Very low	30.6	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	77%	0.768	S	S	*	*			trans	-162.8	145.5	156.7	27.4	0	0	0	0	111.9
746	N	32.7	Very low	30.7	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	77%	0.767	S	S	*	*			trans	69.1	138.4	166.1	-63.1	-25.3	0	0	0	117.6
747	R	31.4	Very low	30.8	Very low	200 Å²	200	139.4 Å²	139.4	76%	0.755	76%	0.762	S	S	*	*			cis	-168	134.6	-15	-128.4	-178.4	-173.6	178.7	1.2	109.1
748	M	28.6	Very low	31.2	Very low	161 Å²	161	141.3 Å²	141.3	79%	0.793	76%	0.763	S	S	*	*			trans	60.9	145.2	160.8	-64.1	147	156.5	0	0	116
749	T	36.2	Very low	31.7	Very low	137 Å²	137	138.6 Å²	138.6	84%	0.84	76%	0.757	S	S	*	*			cis	-148.2	162.6	19.4	-40.5	0	0	0	0	110.8
750	E	30.5	Very low	32.2	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	76%	0.757	S	S	*	*			trans	-69.3	179.8	163.2	-112.9	179.2	161.9	0	0	112.8
751	P	36.6	Very low	32.1	Very low	94 Å²	94	139.3 Å²	139.3	61%	0.61	76%	0.76	S	S	*	*			cis	-135.7	-179.8	-10.6	39.5	-22.2	0	0	0	115.4
752	D	28.2	Very low	32.2	Very low	151 Å²	151	140 Å²	140	81%	0.807	76%	0.763	S	S	*	*			trans	56.2	179.1	146.3	-83	-37.9	0	0	0	120.9
753	V	32	Very low	32.2	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	76%	0.761	S	S	*	*			trans	65.7	86.2	170.8	-169.4	0	0	0	0	113.5
754	V	27.9	Very low	32.3	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	76%	0.758	S	S	*	*				81.8	140	83.6	163.8	0	0	0	0	113.3
755	E	31.2	Very low	32	Very low	152 Å²	152	138 Å²	138	71%	0.71	76%	0.758	S	S	*	*			trans	77.4	133.5	167.7	-83.9	-168.7	145.5	0	0	121.2
756	Q	31.9	Very low	31.7	Very low	139 Å²	139	138.3 Å²	138.3	65%	0.65	75%	0.754	S	S	*	*			trans	65.9	113.5	138.8	-62.9	-179.9	33.3	0	0	118
757	I	28.1	Very low	31.5	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	75%	0.754	S	S	*	*				77.1	157.9	75.6	-69.5	170.6	0	0	0	111.2
758	L	33.2	Very low	31.3	Very low	146 Å²	146	135.1 Å²	135.1	76%	0.764	76%	0.755	S	S	*	*			trans	83.4	104.8	-170.1	-48.2	178.2	0	0	0	112.3
759	D	33.9	Very low	31.3	Very low	135 Å²	135	133.2 Å²	133.2	72%	0.722	75%	0.748	S	S	*	*	S	Bend	cis	-147.2	158.8	6.1	-103.9	-47.2	0	0	0	116.3
760	S	36.6	Very low	30.9	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	74%	0.74	S	S	*	*			trans	58.3	50.5	160.1	62.4	0	0	0	0	120.1
761	T	27.8	Very low	30.8	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	74%	0.735	S	S	*	*			trans	-64.3	140.3	134.9	49.9	0	0	0	0	110.1
762	N	30.5	Very low	30.3	Very low	157 Å²	157	134.3 Å²	134.3	84%	0.84	74%	0.743	S	S	*	*			trans	176.6	118.3	132.4	-88.5	-23.9	0	0	0	112.7
763	A	36.6	Very low	30.2	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	74%	0.742	S	S	*	*			trans	-87.9	145.4	146.6	0	0	0	0	0	107.7
764	P	35.1	Very low	30.3	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	75%	0.747	S	S	*	*				-125	155.1	87.7	5.3	17.2	0	0	0	111.6
765	N	29.2	Very low	30.5	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	75%	0.747	S	S	*	*			cis	76.6	144.5	47.2	-157.1	8	0	0	0	113.3
766	I	28.1	Very low	30.4	Very low	136 Å²	136	135 Å²	135	70%	0.697	75%	0.749	S	S	*	*			trans	85.6	88.8	167.4	-55.6	-179.8	0	0	0	118.3
767	V	27.9	Very low	30.3	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	76%	0.758	S	S	*	*				80.8	131.4	117	166.2	0	0	0	0	122.6
768	L	28.3	Very low	30.3	Very low	147 Å²	147	134.7 Å²	134.7	77%	0.77	76%	0.756	S	S	*	*			trans	60.2	121.7	156.4	-109	75.2	0	0	0	122
769	D	27.2	Very low	30.2	Very low	121 Å²	121	133.7 Å²	133.7	65%	0.647	75%	0.751	S	S	*	*				75.2	149.4	127.1	-112.5	13.6	0	0	0	122.1
770	Q	29.3	Very low	30.3	Very low	142 Å²	142	134.9 Å²	134.9	66%	0.664	75%	0.75	S	S	*	*			trans	70.8	105.7	146.2	-71.6	169.1	49.5	0	0	122.2
771	I	26.6	Very low	30.5	Very low	139 Å²	139	135.3 Å²	135.3	71%	0.713	74%	0.744	S	S	*	*				69.4	151.4	129.3	-43.1	158	0	0	0	117.7
772	L	27.4	Very low	31.1	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	75%	0.745	S	S	*	*			trans	73.9	113.3	170	-69.8	122.4	0	0	0	118.1
773	C	25.8	Very low	31.5	Very low	117 Å²	117	137.2 Å²	137.2	79%	0.791	74%	0.744	S	S	*	*				46.2	144.1	116.9	-52.2	0	0	0	0	121.9
774	E	34.5	Very low	31.6	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	74%	0.741	S	S	*	*			trans	-51.3	159.4	166.2	-45.7	177.8	162.5	0	0	112.9
775	P	32.4	Very low	31.6	Very low	115 Å²	115	141.9 Å²	141.9	75%	0.747	75%	0.745	S	S	*	*				-152	-164.4	92.9	32.2	-9.3	0	0	0	115.7
776	I	28.9	Very low	32	Very low	148 Å²	148	138.7 Å²	138.7	76%	0.759	74%	0.738	S	S	*	*			trans	90.5	60.5	160.2	-37.1	-172.3	0	0	0	116.8
777	E	28.9	Very low	32.2	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	75%	0.745	S	S	*	*				11.8	135.8	112.9	-55	178.3	155.9	0	0	118.7
778	S	29.3	Very low	32.6	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	75%	0.745	S	S	*	*				-178.8	114	112.8	39.2	0	0	0	0	112.6
779	N	30.9	Very low	32.7	Very low	125 Å²	125	138.5 Å²	138.5	67%	0.668	74%	0.742	S	S	*	*				-179.3	106	113.5	-97.3	-75.5	0	0	0	111.7
780	K	35.4	Very low	33	Very low	160 Å²	160	138.6 Å²	138.6	70%	0.696	75%	0.747	S	S	*	*			trans	84.9	105.8	134.6	-66.6	-166.2	174.1	77.7	0	121.8
781	D	40	Very low	33	Very low	121 Å²	121	139.5 Å²	139.5	65%	0.647	76%	0.755	S	S	*	*				85.6	97.5	118.6	-49.8	-12.7	0	0	0	118.9
782	D	41.8	Very low	33.1	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	76%	0.761	S	S	*	*				91	102.2	121.2	-61.5	-17.4	0	0	0	122.9
783	E	37.7	Very low	33.4	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	76%	0.763	S	S	*	*				116.4	95.3	111.1	-159.5	161.3	-164.5	0	0	120.3
784	V	39.8	Very low	33.6	Very low	114 Å²	114	139.5 Å²	139.5	69%	0.691	76%	0.763	S	S	*	*			trans	80.5	97.7	132.7	169.2	0	0	0	0	121.8
785	K	35.4	Very low	33.4	Very low	192 Å²	192	134.9 Å²	134.9	84%	0.835	75%	0.747	S	S	*	*				78.7	150	104.7	-155.6	-177.1	179.3	-180	0	121.7
786	A	35.9	Very low	33.6	Very low	76 Å²	76	134.6 Å²	134.6	63%	0.628	74%	0.743	S	S	*	*			trans	85.1	80.6	156.2	0	0	0	0	0	120.3
787	E	33.8	Very low	33.9	Very low	181 Å²	181	130 Å²	130	85%	0.846	72%	0.72	S	S	*	*				66.9	152	118.4	-70.4	174.3	-155.5	0	0	123.5
788	T	35	Very low	34.2	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	71%	0.71	S	S	*	*			trans	74.5	99.7	160.7	48.2	0	0	0	0	122
789	S	31.6	Very low	34.5	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	70%	0.703	S	S	*	*				96.9	117.5	118.8	-57.4	0	0	0	0	122.9
790	T	32.1	Very low	34.8	Very low	123 Å²	123	127.2 Å²	127.2	76%	0.755	71%	0.708	S	S	*	*			trans	71	106.6	135.8	54.1	0	0	0	0	123.6
791	L	29.5	Very low	34.7	Very low	161 Å²	161	127.3 Å²	127.3	84%	0.843	71%	0.712	S	S	*	*				62.8	117	126.1	-80.9	164.4	0	0	0	123.1
792	S	29.5	Very low	34.6	Very low	120 Å²	120	126.2 Å²	126.2	84%	0.839	71%	0.714	S	S	*	*				142.3	155.2	124.9	-60.7	0	0	0	0	116
793	T	33.7	Very low	34.7	Very low	133 Å²	133	125.1 Å²	125.1	82%	0.816	72%	0.715	S	S	*	*			trans	-106.4	159.7	-162.4	-42.3	0	0	0	0	114.5
794	I	29.8	Very low	35.1	Very low	153 Å²	153	122.9 Å²	122.9	79%	0.785	71%	0.708	S	S	*	*			trans	168.3	114.9	136.4	-89.8	159.5	0	0	0	117.3
795	T	29.8	Very low	35.5	Very low	87 Å²	87	122.4 Å²	122.4	53%	0.534	70%	0.701	S	S	.	*			trans	67.3	146	134.1	-30.5	0	0	0	0	124.8	S894	T795-S894 WeakPolarHBondContact CB-OG 3.41Å; T795-S894 WeakPolarHBondContact CG2-OG 3.37Å
796	V	36.7	Very low	36	Very low	110 Å²	110	115.8 Å²	115.8	67%	0.667	68%	0.68	S	S	*	*			trans	-139.5	-127.6	-160.8	-152.3	0	0	0	0	119.1	T893 S894 S895	V796-T893 WeakPolarHBondContact O-CB 3.29Å; V796-T893 PolarHBondContact O-OG1 2.67Å; V796-S894 PolarHBondContact N-OG 3.41Å; V796-S894 VanDerWaalsContact O-CA 3.25Å; V796-S894 WeakPolarHBondContact O-CA 3.46Å; V796-S894 WeakPolarHBondContact O-CB 3.4Å; V796-S894 PolarHBondContact O-OG 2.9Å; V796-S895 PolarHBondContact N-OG 3.09Å
797	N	34.5	Very low	36.7	Very low	52 Å²	52	115 Å²	115	28%	0.278	66%	0.662	S	S	.	*			trans	102.8	153.1	164.8	-145.7	20.2	0	0	0	126.4	S894 S895	N797-S894 PolarHBondContact ND2-O 3.16Å; N797-S895 WeakPolarHBondContact ND2-CA 3.43Å; N797-S895 PolarHBondContact ND2-N 2.91Å
798	T	35.7	Very low	37.3	Very low	101 Å²	101	110.7 Å²	110.7	62%	0.62	65%	0.648	S	S	*	*			trans	67.9	150.3	148	37	0	0	0	0	123.4
799	S	35.9	Very low	37.8	Very low	82 Å²	82	108.5 Å²	108.5	57%	0.573	63%	0.631	S	S	*	*			cis	178.7	172.9	-17.2	59.5	0	0	0	0	116.2
800	Q	36.3	Very low	38.4	Very low	165 Å²	165	107.6 Å²	107.6	77%	0.771	62%	0.624	S	S	*	*			trans	76.8	163.8	152.5	-71.4	170.7	94.3	0	0	123
801	M	34.4	Very low	38.9	Very low	162 Å²	162	107.4 Å²	107.4	80%	0.798	62%	0.619	S	S	*	*				-177.7	143.7	-50.7	-110	164.3	57.9	0	0	118.4
802	S	38.1	Very low	39.2	Very low	98 Å²	98	106.1 Å²	106.1	69%	0.685	61%	0.613	S	S	*	*			trans	91.9	-155.1	142.1	-49.4	0	0	0	0	124.6
803	P	44.5	Very low	39.4	Very low	121 Å²	121	105.2 Å²	105.2	79%	0.786	60%	0.602	S	S	*	*				-139.6	-118.2	-114.4	47	-24.2	0	0	0	119.2
804	L	46	Very low	39.4	Very low	126 Å²	126	107.7 Å²	107.7	66%	0.66	60%	0.602	S	S	*	*			trans	93.5	169.5	179.6	-53.4	-179.2	0	0	0	116.9
805	N	46.6	Very low	39.5	Very low	104 Å²	104	105.3 Å²	105.3	56%	0.556	60%	0.599	S	S	*	*			cis	-156.6	-168.8	5.5	-140.1	-17.6	0	0	0	108.6	F1159	N805-F1159 VanDerWaalsContact O-CZ 3.28Å; N805-F1159 WeakPolarHBondContact O-CZ 3.25Å
806	S	47.1	Very low	39.7	Very low	54 Å²	54	106 Å²	106	38%	0.378	61%	0.606	S	S	.	*			cis	-170.2	-165.8	-7.4	71	0	0	0	0	107.8	F597 F1159	F597-S806 WeakPolarHBondContact CZ-O 3.35Å; S806-F1159 VanDerWaalsContact N-CE2 3.34Å; S806-F1159 WeakPolarHBondContact O-CD2 3.27Å; S806-F1159 WeakPolarHBondContact O-CE2 3.46Å
807	K	49.7	Very low	39.5	Very low	59 Å²	59	106.4 Å²	106.4	26%	0.257	61%	0.609	S	S	.	*			cis	173.4	148.2	-31.7	-95.5	178	179.1	179.9	0	107.9	V594 F597	V594-K807 HydrophobicContact CG1-CD 4.41Å; V594-K807 HydrophobicContact CG2-CD 4.37Å; F597-K807 WeakPolarHBondContact CD1-O 3.45Å; F597-K807 WeakPolarHBondContact CG-O 3.44Å
808	V	46.9	Very low	39.5	Very low	90 Å²	90	106.2 Å²	106.2	55%	0.545	61%	0.611	S	S	.	*			cis	-158.3	-123.8	-32.3	-159.4	0	0	0	0	110.1	S596 F597	S596-V808 WeakPolarHBondContact OG-CA 3.45Å; S596-V808 WeakPolarHBondContact OG-CB 3.39Å; S596-V808 PolarHBondContact OG-N 2.9Å; F597-V808 WeakPolarHBondContact CA-O 3.48Å; F597-V808 WeakPolarHBondContact CB-O 3.33Å; F597-V808 WeakPolarHBondContact CD2-O 3.36Å; F597-V808 PolarHBondContact N-O 2.86Å
809	L	46.6	Very low	39.3	Very low	77 Å²	77	103.4 Å²	103.4	40%	0.403	60%	0.602	S	S	.	*			trans	69.7	134.6	-179.8	-86.5	156.6	0	0	0	118.6	Y595 S596 F597	Y595-L809 WeakPolarHBondContact O-CD1 3.41Å; S596-L809 VanDerWaalsContact CB-N 3.34Å; S596-L809 PolarHBondContact OG-N 3.11Å; F597-L809 VanDerWaalsContact O-CB 3.25Å; F597-L809 WeakPolarHBondContact O-CB 3.36Å; F597-L809 WeakPolarHBondContact O-CD1 3.45Å
810	S	43.4	Very low	39.1	Very low	81 Å²	81	102.6 Å²	102.6	57%	0.566	60%	0.6	S	S	*	*			cis	-171.4	161.6	-15.5	68.8	0	0	0	0	119.4
811	N	43.1	Very low	38.9	Very low	119 Å²	119	101 Å²	101	64%	0.636	60%	0.597	S	S	*	*			trans	93.1	101	137	-73.8	-17.9	0	0	0	122.8
812	N	35.3	Very low	38.6	Very low	134 Å²	134	99.6 Å²	99.6	72%	0.717	59%	0.59	S	S	*	*				88.9	137.7	116.2	-66.2	-12.4	0	0	0	119.9
813	V	34.4	Very low	38.2	Very low	101 Å²	101	98 Å²	98	61%	0.612	58%	0.579	S	S	*	*			cis	-162.4	144.6	2.9	103.7	0	0	0	0	114.9
814	K	33.1	Very low	37.4	Very low	186 Å²	186	97.6 Å²	97.6	81%	0.809	57%	0.569	S	S	*	*			trans	60.4	145.9	157.2	-67.3	165.3	-162.3	175.7	0	118.7
815	S	31.4	Very low	36.5	Very low	103 Å²	103	98.2 Å²	98.2	72%	0.72	57%	0.573	S	S	*	*			cis	178.1	142.1	-11.4	48	0	0	0	0	107.4
816	S	33.6	Very low	35.6	Very low	100 Å²	100	101.2 Å²	101.2	70%	0.699	59%	0.588	S	S	*	*			cis	-144.1	-168.8	2.7	-68.9	0	0	0	0	108.3
817	V	33	Very low	34.6	Very low	120 Å²	120	104.5 Å²	104.5	73%	0.727	61%	0.605	S	S	*	*			cis	61	166	20.5	-96.2	0	0	0	0	115.8
818	P	34.1	Very low	33.6	Very low	47 Å²	47	110 Å²	110	31%	0.305	63%	0.631	S	S	.	*			cis	-136	-167.2	-15.6	19.2	9	0	0	0	113.1	N1165 P1166	P818-N1165 VanDerWaalsContact CB-CA 3.42Å; P818-N1165 HydrophobicContact CB-CB 3.73Å; P818-N1165 WeakPolarHBondContact CB-OD1 3.45Å; P818-N1165 HydrophobicContact CG-CB 4.37Å; P818-P1166 WeakPolarHBondContact CD-O 3.22Å; P818-P1166 VanDerWaalsContact CG-CA 3.48Å
819	G	32.2	Very low	32.7	Very low	42 Å²	42	111.1 Å²	111.1	43%	0.433	64%	0.639	S	S	.	*			cis	137	162.7	-11.3	0	0	0	0	0	116.4	N1165 P1166	G819-N1165 VanDerWaalsContact CA-OD1 3.23Å; G819-N1165 WeakPolarHBondContact CA-OD1 3.3Å; G819-P1166 WeakPolarHBondContact O-CB 3.35Å
820	A	32.2	Very low	31.8	Very low	66 Å²	66	112.6 Å²	112.6	55%	0.545	66%	0.655	S	S	.	*			trans	61.5	140.8	171.1	0	0	0	0	0	121.6	N1165	A820-N1165 HydrophobicContact CB-CB 3.55Å; A820-N1165 VanDerWaalsContact CB-CG 3.48Å; A820-N1165 WeakPolarHBondContact CB-ND2 3.05Å
821	N	30.9	Very low	31.2	Very low	132 Å²	132	116.6 Å²	116.6	71%	0.706	67%	0.67	S	S	*	*			cis	-151.2	157.5	38.7	-123.8	-10	0	0	0	115.3
822	M	28.8	Very low	30.7	Very low	131 Å²	131	118.3 Å²	118.3	65%	0.645	68%	0.676	S	S	*	*			trans	-81.8	159	-164.8	-54	169	-75.5	0	0	117.9	E1184	M822-E1184 WeakPolarHBondContact CA-OE2 3.46Å; M822-E1184 VanDerWaalsContact CG-OE2 3.26Å; M822-E1184 WeakPolarHBondContact CG-OE2 3.33Å
823	S	30.2	Very low	30.7	Very low	65 Å²	65	115.1 Å²	115.1	46%	0.455	66%	0.659	S	S	.	*				148.9	113.8	125.1	-62.7	0	0	0	0	116.3	S1182 Y1183	S823-S1182 CarbonylContact O-C 3.53Å; S823-S1182 WeakPolarHBondContact O-CB 3.32Å; S823-Y1183 CarbonylContact C-O 3.52Å; S823-Y1183 WeakPolarHBondContact CA-O 3.15Å; S823-Y1183 PolarHBondContact N-O 3.36Å
824	I	27.8	Very low	30.7	Very low	113 Å²	113	116 Å²	116	58%	0.579	67%	0.67	S	S	*	*			trans	107.9	133	150.1	-60.2	159.2	0	0	0	120.6	S1182 Y1183 E1184	I824-S1182 CarbonylContact O-C 3.23Å; I824-Y1183 PolarHBondContact N-O 3.1Å; I824-Y1183 PolarHBondContact O-N 2.79Å; I824-E1184 CarbonylContact C-O 3.09Å; I824-E1184 WeakPolarHBondContact CA-O 3.2Å; I824-E1184 PolarHBondContact N-O 2.79Å
825	N	26.7	Very low	31	Very low	138 Å²	138	115.2 Å²	115.2	74%	0.738	67%	0.669	S	S	*	*			trans	-6.9	140	165.3	-56.3	-32	0	0	0	122.7
826	I	26.7	Very low	31.7	Very low	168 Å²	168	113.4 Å²	113.4	86%	0.862	65%	0.653	S	S	*	*				-170	160.9	109	-98.5	163.5	0	0	0	111.6
827	V	25.6	Very low	32	Very low	123 Å²	123	112.6 Å²	112.6	75%	0.745	64%	0.641	S	S	*	*			trans	-48.4	130.1	176.8	175.8	0	0	0	0	114.1
828	H	29	Very low	32.7	Very low	174 Å²	174	109.3 Å²	109.3	81%	0.806	63%	0.627	S	S	*	*			trans	-158.3	161.7	131.1	-129.4	-94.4	0	0	0	114.5
829	T	28.3	Very low	33.3	Very low	114 Å²	114	113 Å²	113	70%	0.699	64%	0.638	S	S	*	*			trans	-94.7	135	-176.1	50	0	0	0	0	113.5
830	S	27.7	Very low	34.3	Very low	107 Å²	107	115.4 Å²	115.4	75%	0.748	64%	0.641	S	S	*	*			trans	-168.8	163.2	152.4	46.6	0	0	0	0	110.3	M832	S830-M832 PolarHBondContact O-N 3.05Å; S830-M832 VanDerWaalsContact O-N 3.16Å
831	N	30.3	Very low	35.7	Very low	166 Å²	166	115.7 Å²	115.7	89%	0.888	64%	0.639	S	S	*	*	S	Bend	trans	57.8	20.8	-175.8	-70.2	7.3	0	0	0	117.1
832	M	33	Very low	36.7	Very low	155 Å²	155	113.7 Å²	113.7	76%	0.764	63%	0.628	S	S	*	*				-76.5	178.4	118.5	-71.6	-71.5	155.7	0	0	108.5	S830	S830-M832 PolarHBondContact O-N 3.05Å; S830-M832 VanDerWaalsContact O-N 3.16Å
833	L	35.2	Very low	38.3	Very low	67 Å²	67	111 Å²	111	35%	0.351	62%	0.615	S	S	.	*			trans	83.8	32.6	166.2	-30.2	-176.7	0	0	0	120	T836 D837	L833-T836 VanDerWaalsContact CA-OG1 3.29Å; L833-T836 WeakPolarHBondContact CA-OG1 3.24Å; L833-T836 WeakPolarHBondContact CD2-OG1 3.29Å; L833-D837 HydrophobicContact CB-CB 4.27Å; L833-D837 WeakPolarHBondContact CB-OD1 3.14Å; L833-D837 WeakPolarHBondContact CD1-OD1 3.32Å; L833-D837 WeakPolarHBondContact O-CB 3.25Å; L833-D837 PolarHBondContact O-N 3.27Å
834	S	35.1	Very low	39.8	Very low	120 Å²	120	113 Å²	113	84%	0.839	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-10.7	164.8	72.5	0	0	0	0	115.1
835	E	38.4	Very low	41.4	Very low	168 Å²	168	112.1 Å²	112.1	79%	0.785	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-18.8	167	-68.2	-172.1	163.3	0	0	111.9	F839	E835-F839 PolarHBondContact O-N 3.42Å
836	T	46.6	Very low	42.8	Very low	65 Å²	65	111.5 Å²	111.5	40%	0.399	61%	0.607	S	S	.	*	H	α-helix	trans	-96.7	-15.9	177.1	30.3	0	0	0	0	115.1	L833 A838 F839 L840	L833-T836 VanDerWaalsContact CA-OG1 3.29Å; L833-T836 WeakPolarHBondContact CA-OG1 3.24Å; L833-T836 WeakPolarHBondContact CD2-OG1 3.29Å; T836-A838 VanDerWaalsContact C-N 3.32Å; T836-F839 HydrophobicContact CG2-CB 4.21Å; T836-F839 PolarHBondContact O-N 3.4Å; T836-L840 WeakPolarHBondContact O-CB 3.39Å; T836-L840 WeakPolarHBondContact O-CG 3.48Å; T836-L840 PolarHBondContact O-N 2.73Å
837	D	40.1	Very low	44.4	Very low	83 Å²	83	109.9 Å²	109.9	44%	0.444	60%	0.599	S	S	.	*	H	α-helix	trans	-78.3	-23.3	159.7	-72.5	-15.7	0	0	0	110.6	L833 S841	L833-D837 HydrophobicContact CB-CB 4.27Å; L833-D837 WeakPolarHBondContact CB-OD1 3.14Å; L833-D837 WeakPolarHBondContact CD1-OD1 3.32Å; L833-D837 WeakPolarHBondContact O-CB 3.25Å; L833-D837 PolarHBondContact O-N 3.27Å; D837-S841 WeakPolarHBondContact O-CB 3.44Å; D837-S841 PolarHBondContact O-N 3.29Å; D837-S841 PolarHBondContact O-OG 3.42Å
838	A	47.9	Very low	46	Very low	51 Å²	51	110.5 Å²	110.5	42%	0.421	59%	0.594	S	S	.	*	H	α-helix	trans	-66	-47.6	161.3	0	0	0	0	0	110.1	T836 L840 S841 D842	T836-A838 VanDerWaalsContact C-N 3.32Å; A838-L840 VanDerWaalsContact C-N 3.33Å; A838-L840 PolarHBondContact O-N 3.43Å; A838-S841 PolarHBondContact O-N 3.09Å; A838-D842 WeakPolarHBondContact O-CB 3.45Å; A838-D842 VanDerWaalsContact O-CG 3.24Å; A838-D842 PolarHBondContact O-N 2.91Å
839	F	47.1	Very low	47.2	Very low	125 Å²	125	110.4 Å²	110.4	55%	0.548	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-28.9	177.4	-157.7	-98.9	0	0	0	114.4	E835 T836 L843	E835-F839 PolarHBondContact O-N 3.42Å; T836-F839 HydrophobicContact CG2-CB 4.21Å; T836-F839 PolarHBondContact O-N 3.4Å; F839-L843 HydrophobicContact CD1-CD1 3.9Å; F839-L843 HydrophobicContact CE1-CD1 3.84Å; F839-L843 WeakPolarHBondContact O-CB 2.97Å; F839-L843 WeakPolarHBondContact O-CG 2.96Å; F839-L843 PolarHBondContact O-N 3.16Å; F839-L843 VanDerWaalsContact O-N 3.15Å
840	L	53.7	Low	47.9	Very low	93 Å²	93	111.9 Å²	111.9	49%	0.487	59%	0.59	S	S	.	*	H	α-helix	trans	-85.6	-31	174.7	-73.6	171.8	0	0	0	112.2	T836 A838 L843 Q844	T836-L840 WeakPolarHBondContact O-CB 3.39Å; T836-L840 WeakPolarHBondContact O-CG 3.48Å; T836-L840 PolarHBondContact O-N 2.73Å; A838-L840 VanDerWaalsContact C-N 3.33Å; A838-L840 PolarHBondContact O-N 3.43Å; L840-L843 HydrophobicContact CD2-CD1 4.35Å; L840-L843 PolarHBondContact O-N 3.35Å; L840-Q844 VanDerWaalsContact O-CB 3.28Å; L840-Q844 WeakPolarHBondContact O-CB 3.36Å; L840-Q844 PolarHBondContact O-N 3.18Å
841	S	59.6	Low	48.2	Very low	72 Å²	72	114.4 Å²	114.4	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-40.2	167	-58.4	0	0	0	0	111.1	D837 A838 L843 Q844 E845	D837-S841 WeakPolarHBondContact O-CB 3.44Å; D837-S841 PolarHBondContact O-N 3.29Å; D837-S841 PolarHBondContact O-OG 3.42Å; A838-S841 PolarHBondContact O-N 3.09Å; S841-L843 VanDerWaalsContact C-N 3.32Å; S841-L843 PolarHBondContact O-N 3.2Å; S841-Q844 PolarHBondContact O-N 2.79Å; S841-E845 WeakPolarHBondContact O-CB 3.45Å; S841-E845 PolarHBondContact O-N 2.9Å
842	D	52.5	Low	48.5	Very low	89 Å²	89	112 Å²	112	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-57.4	-44.8	170.7	-77.1	-16	0	0	0	110.3	A838 I846	A838-D842 WeakPolarHBondContact O-CB 3.45Å; A838-D842 VanDerWaalsContact O-CG 3.24Å; A838-D842 PolarHBondContact O-N 2.91Å; D842-I846 WeakPolarHBondContact O-CB 3.44Å; D842-I846 VanDerWaalsContact O-CD1 3.29Å; D842-I846 WeakPolarHBondContact O-CD1 3.46Å; D842-I846 WeakPolarHBondContact O-CG1 3.24Å; D842-I846 PolarHBondContact O-N 2.73Å
843	L	62.7	Low	48.3	Very low	74 Å²	74	111.7 Å²	111.7	39%	0.387	58%	0.584	S	S	.	*	H	α-helix	trans	-72.7	-32.8	178.4	-77.4	169.8	0	0	0	113.6	F839 L840 S841 L847	F839-L843 HydrophobicContact CD1-CD1 3.9Å; F839-L843 HydrophobicContact CE1-CD1 3.84Å; F839-L843 WeakPolarHBondContact O-CB 2.97Å; F839-L843 WeakPolarHBondContact O-CG 2.96Å; F839-L843 PolarHBondContact O-N 3.16Å; F839-L843 VanDerWaalsContact O-N 3.15Å; L840-L843 HydrophobicContact CD2-CD1 4.35Å; L840-L843 PolarHBondContact O-N 3.35Å; S841-L843 VanDerWaalsContact C-N 3.32Å; S841-L843 PolarHBondContact O-N 3.2Å; L843-L847 WeakPolarHBondContact O-CB 3.34Å; L843-L847 WeakPolarHBondContact O-CD1 3.34Å; L843-L847 VanDerWaalsContact O-CG 3.29Å; L843-L847 WeakPolarHBondContact O-CG 3.35Å; L843-L847 PolarHBondContact O-N 3.03Å
844	Q	62.5	Low	48.1	Very low	107 Å²	107	116.6 Å²	116.6	50%	0.5	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-45.6	172.3	-165.4	98.8	14.1	0	0	109.8	L840 S841 I846 L847 E848	L840-Q844 VanDerWaalsContact O-CB 3.28Å; L840-Q844 WeakPolarHBondContact O-CB 3.36Å; L840-Q844 PolarHBondContact O-N 3.18Å; S841-Q844 PolarHBondContact O-N 2.79Å; Q844-I846 VanDerWaalsContact C-N 3.32Å; Q844-I846 PolarHBondContact O-N 3.4Å; Q844-L847 CarbonylContact O-C 3.29Å; Q844-L847 WeakPolarHBondContact O-CA 3.4Å; Q844-L847 PolarHBondContact O-N 3.36Å; Q844-E848 HydrophobicContact CG-CG 4.3Å; Q844-E848 PolarHBondContact NE2-OE1 2.85Å; Q844-E848 WeakPolarHBondContact O-CB 3.23Å; Q844-E848 WeakPolarHBondContact O-CG 3.44Å; Q844-E848 PolarHBondContact O-N 2.94Å
845	E	60.7	Low	48	Very low	95 Å²	95	117 Å²	117	44%	0.444	61%	0.607	S	S	.	*	H	α-helix	trans	-66.6	-32.4	177.7	-166.5	169.8	-175.9	0	0	112	S841 L847 R849	S841-E845 WeakPolarHBondContact O-CB 3.45Å; S841-E845 PolarHBondContact O-N 2.9Å; E845-L847 VanDerWaalsContact C-N 3.29Å; E845-L847 PolarHBondContact O-N 3.03Å; E845-R849 HydrophobicContact CG-CG 3.82Å; E845-R849 VanDerWaalsContact O-CB 3.27Å; E845-R849 WeakPolarHBondContact O-CB 3.19Å; E845-R849 VanDerWaalsContact O-CG 3.3Å; E845-R849 WeakPolarHBondContact O-CG 3.29Å; E845-R849 PolarHBondContact O-N 2.76Å; E845-R849 VanDerWaalsContact O-N 3.1Å; E845-R849 WeakPolarHBondContact OE1-CD 3.35Å; E845-R849 IonicContact OE1-CZ 3.73Å; E845-R849 IonicContact OE1-NE 2.63Å; E845-R849 IonicContact OE1-NH1 3.64Å; E845-R849 PolarHBondContact OE1-NH1 2.72Å
846	I	55.7	Low	47.5	Very low	126 Å²	126	113.9 Å²	113.9	65%	0.646	60%	0.604	S	S	*	*	H	α-helix	trans	-72.1	-17.8	170.7	-73.5	165.8	0	0	0	112.9	D842 Q844	D842-I846 WeakPolarHBondContact O-CB 3.44Å; D842-I846 VanDerWaalsContact O-CD1 3.29Å; D842-I846 WeakPolarHBondContact O-CD1 3.46Å; D842-I846 WeakPolarHBondContact O-CG1 3.24Å; D842-I846 PolarHBondContact O-N 2.73Å; Q844-I846 VanDerWaalsContact C-N 3.32Å; Q844-I846 PolarHBondContact O-N 3.4Å
847	L	60.4	Low	46.9	Very low	133 Å²	133	115.4 Å²	115.4	70%	0.696	62%	0.617	S	S	*	*	H	α-helix	trans	-101.8	-24	177.1	-75.2	169.1	0	0	0	113.8	L843 Q844 E845	L843-L847 WeakPolarHBondContact O-CB 3.34Å; L843-L847 WeakPolarHBondContact O-CD1 3.34Å; L843-L847 VanDerWaalsContact O-CG 3.29Å; L843-L847 WeakPolarHBondContact O-CG 3.35Å; L843-L847 PolarHBondContact O-N 3.03Å; Q844-L847 CarbonylContact O-C 3.29Å; Q844-L847 WeakPolarHBondContact O-CA 3.4Å; Q844-L847 PolarHBondContact O-N 3.36Å; E845-L847 VanDerWaalsContact C-N 3.29Å; E845-L847 PolarHBondContact O-N 3.03Å
848	E	59.1	Low	46.5	Very low	136 Å²	136	117.9 Å²	117.9	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-102.3	-15	-177	-67.9	-179	168.3	0	0	113.4	Q844 D850	Q844-E848 HydrophobicContact CG-CG 4.3Å; Q844-E848 PolarHBondContact NE2-OE1 2.85Å; Q844-E848 WeakPolarHBondContact O-CB 3.23Å; Q844-E848 WeakPolarHBondContact O-CG 3.44Å; Q844-E848 PolarHBondContact O-N 2.94Å; E848-D850 PolarHBondContact O-N 2.89Å
849	R	55.1	Low	45.9	Very low	172 Å²	172	120.2 Å²	120.2	65%	0.649	65%	0.646	S	S	*	*	S	Bend	trans	-92.8	97.1	171.7	-60	-171.1	83.4	134.6	10.5	111.1	E845	E845-R849 HydrophobicContact CG-CG 3.82Å; E845-R849 VanDerWaalsContact O-CB 3.27Å; E845-R849 WeakPolarHBondContact O-CB 3.19Å; E845-R849 VanDerWaalsContact O-CG 3.3Å; E845-R849 WeakPolarHBondContact O-CG 3.29Å; E845-R849 PolarHBondContact O-N 2.76Å; E845-R849 VanDerWaalsContact O-N 3.1Å; E845-R849 WeakPolarHBondContact OE1-CD 3.35Å; E845-R849 IonicContact OE1-CZ 3.73Å; E845-R849 IonicContact OE1-NE 2.63Å; E845-R849 IonicContact OE1-NH1 3.64Å; E845-R849 PolarHBondContact OE1-NH1 2.72Å
850	D	42.7	Very low	45.3	Very low	145 Å²	145	124.3 Å²	124.3	78%	0.775	66%	0.664	S	S	*	*			trans	65.7	83.7	167.1	-58.1	-41.1	0	0	0	116.7	E848 P852	E848-D850 PolarHBondContact O-N 2.89Å; D850-P852 VanDerWaalsContact O-CD 3.25Å; D850-P852 WeakPolarHBondContact O-CD 3.4Å
851	M	34.3	Very low	44.3	Very low	160 Å²	160	123.1 Å²	123.1	79%	0.788	67%	0.674	S	S	*	*			trans	-64.4	113.8	145.3	-76.7	-168.9	179.4	0	0	109.6	M853	M851-M853 VanDerWaalsContact C-N 3.3Å; M851-M853 HydrophobicContact CB-CG 4.26Å; M851-M853 PolarHBondContact O-N 3.37Å
852	P	36.1	Very low	43.3	Very low	115 Å²	115	125.1 Å²	125.1	75%	0.747	68%	0.678	S	S	*	*			trans	-87.6	67.3	-179.4	36.1	-32.7	0	0	0	110.5	D850	D850-P852 VanDerWaalsContact O-CD 3.25Å; D850-P852 WeakPolarHBondContact O-CD 3.4Å
853	M	29.3	Very low	42.4	Very low	150 Å²	150	126 Å²	126	74%	0.739	68%	0.683	S	S	*	*			trans	-115.3	25.4	-167.5	-70	-77.1	94.7	0	0	115.4	M851	M851-M853 VanDerWaalsContact C-N 3.3Å; M851-M853 HydrophobicContact CB-CG 4.26Å; M851-M853 PolarHBondContact O-N 3.37Å
854	L	29.4	Very low	41.2	Very low	170 Å²	170	126.5 Å²	126.5	89%	0.89	69%	0.693	S	S	*	*			trans	-143.5	86.3	174.2	-75	179.8	0	0	0	114.7
855	T	33.1	Very low	40.1	Very low	129 Å²	129	127 Å²	127	79%	0.791	71%	0.708	S	S	*	*			trans	-153.6	107.5	146.9	49.9	0	0	0	0	107.3
856	S	29.1	Very low	39.1	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	72%	0.721	S	S	*	*				74.9	139.3	66.2	76.3	0	0	0	0	115
857	S	34	Very low	38.1	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	73%	0.728	S	S	*	*			trans	64	90.7	164.9	56.8	0	0	0	0	121.1
858	T	31.1	Very low	37	Very low	135 Å²	135	128.7 Å²	128.7	83%	0.828	73%	0.726	S	S	*	*				61.1	166.8	124	51.9	0	0	0	0	121.4
859	P	35.8	Very low	35.8	Very low	101 Å²	101	129 Å²	129	66%	0.656	73%	0.731	S	S	*	*			cis	-130.7	160.1	0.3	23.4	0.4	0	0	0	117.6
860	K	33.9	Very low	34.8	Very low	211 Å²	211	127.1 Å²	127.1	92%	0.917	74%	0.738	S	S	*	*			trans	45.5	126.4	142.3	-55.7	166.8	-173.6	-179.6	0	120.1
861	G	33.4	Very low	34.4	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	74%	0.738	S	S	*	*			cis	149.3	151.4	-9.2	0	0	0	0	0	114.1
862	L	37.4	Very low	34.6	Very low	113 Å²	113	125.4 Å²	125.4	59%	0.592	74%	0.742	S	S	*	*			trans	68.3	143.1	169.5	-53.1	166.3	0	0	0	115	Q1474	L862-Q1474 HydrophobicContact CD1-CB 4.4Å; L862-Q1474 HydrophobicContact CD1-CG 3.82Å
863	D	34.8	Very low	34.4	Very low	107 Å²	107	128.3 Å²	128.3	57%	0.572	74%	0.743	S	S	*	*			cis	-160.1	172.2	7.5	-141	35.8	0	0	0	108.7
864	S	36.3	Very low	34.7	Very low	85 Å²	85	129.3 Å²	129.3	59%	0.594	75%	0.745	S	S	*	*			cis	-148.8	174.3	4	-41.9	0	0	0	0	110.9
865	S	39.8	Very low	34.7	Very low	118 Å²	118	125 Å²	125	83%	0.825	74%	0.735	S	S	*	*			trans	25.1	126.4	151.5	-50.2	0	0	0	0	122.1
866	E	39.4	Very low	34.8	Very low	151 Å²	151	126.3 Å²	126.3	71%	0.706	74%	0.735	S	S	*	*			cis	-139.2	-125.4	8.1	-160.5	-161.7	-76.8	0	0	112.1	V868	E866-V868 WeakPolarHBondContact OE2-CG2 3.48Å; E866-V868 PolarHBondContact OE2-N 2.79Å
867	V	36.4	Very low	34.8	Very low	131 Å²	131	125.8 Å²	125.8	79%	0.794	73%	0.731	S	S	*	*			cis	-145	137.1	14.1	-170.5	0	0	0	0	111.4
868	V	35.7	Very low	34.7	Very low	108 Å²	108	129.5 Å²	129.5	66%	0.655	74%	0.738	S	S	*	*			trans	-75.7	135	176.5	170.5	0	0	0	0	111.5	E866	E866-V868 WeakPolarHBondContact OE2-CG2 3.48Å; E866-V868 PolarHBondContact OE2-N 2.79Å
869	L	34.1	Very low	34.6	Very low	142 Å²	142	127.7 Å²	127.7	74%	0.743	73%	0.731	S	S	*	*			cis	92.9	130.2	26.9	-168.6	133.3	0	0	0	115.7
870	V	35.6	Very low	34.4	Very low	132 Å²	132	132 Å²	132	80%	0.8	74%	0.739	S	S	*	*			trans	-173.4	146.1	147.6	137.3	0	0	0	0	110.2
871	T	34.3	Very low	34.4	Very low	125 Å²	125	124.3 Å²	124.3	77%	0.767	71%	0.712	S	S	*	*			trans	-144.5	145.5	179.9	53.4	0	0	0	0	111.4
872	V	36.7	Very low	34.5	Very low	145 Å²	145	126.4 Å²	126.4	88%	0.879	71%	0.713	S	S	*	*			trans	-135.5	163.2	167.4	-173.7	0	0	0	0	109.5
873	K	33.4	Very low	34.4	Very low	176 Å²	176	124.6 Å²	124.6	77%	0.765	71%	0.708	S	S	*	*			trans	-136.3	178.8	-157.2	-173.6	-171.2	169.3	-163.9	0	110.6
874	E	34.5	Very low	34.4	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.794	71%	0.711	S	S	*	*			trans	84.9	153.5	165.1	-54	177	177	0	0	115.4
875	A	30.5	Very low	34.2	Very low	80 Å²	80	125.1 Å²	125.1	66%	0.661	72%	0.717	S	S	*	*			cis	-174.8	-170.2	-28.4	0	0	0	0	0	107.9
876	I	33.9	Very low	33.9	Very low	157 Å²	157	125.9 Å²	125.9	81%	0.805	72%	0.717	S	S	*	*			trans	85.6	95.2	157.4	-55.1	160.6	0	0	0	118.7
877	S	30.5	Very low	33.5	Very low	90 Å²	90	122 Å²	122	63%	0.629	72%	0.717	S	S	*	*			trans	50.3	145.9	134	69.9	0	0	0	0	127.1
878	E	30.6	Very low	33.2	Very low	174 Å²	174	121.8 Å²	121.8	81%	0.813	72%	0.72	S	S	*	*			trans	88.2	85	135.7	-81.6	166.1	-145.3	0	0	124.8
879	S	29.6	Very low	33	Very low	98 Å²	98	125.7 Å²	125.7	69%	0.685	73%	0.728	S	S	*	*				68.5	139.3	118.2	78.1	0	0	0	0	125.7
880	K	30.7	Very low	32.8	Very low	190 Å²	190	125.7 Å²	125.7	83%	0.826	73%	0.728	S	S	*	*			trans	79.5	157.5	159.2	-61.5	173.7	-179.2	178.4	0	119
881	S	34	Very low	32.4	Very low	50 Å²	50	124.7 Å²	124.7	35%	0.35	72%	0.722	S	S	.	*			trans	-150.3	175	-157.3	28.7	0	0	0	0	116.2	L13 D14	L13-S881 PolarHBondContact N-OG 3.44Å; L13-S881 CarbonylContact O-C 2.89Å; L13-S881 VanDerWaalsContact O-C 3.23Å; D14-S881 VanDerWaalsContact CG-O 3.31Å; D14-S881 WeakPolarHBondContact OD2-CB 3.15Å; D14-S881 PolarHBondContact OD2-N 3.24Å; D14-S881 PolarHBondContact OD2-OG 3.04Å
882	P	36.7	Very low	32	Very low	112 Å²	112	125.5 Å²	125.5	73%	0.727	72%	0.722	S	S	*	*			trans	-128.4	142.3	-178.5	39.6	-23.3	0	0	0	118	L13 D14	L13-P882 CarbonylContact O-C 3.28Å; L13-P882 WeakPolarHBondContact O-CA 3.48Å; D14-P882 CarbonylContact O-C 3.15Å; D14-P882 VanDerWaalsContact O-C 3.29Å; D14-P882 WeakPolarHBondContact O-CA 3.34Å
883	T	34	Very low	31.6	Very low	76 Å²	76	123.5 Å²	123.5	47%	0.466	71%	0.71	S	S	.	*	B	Isolated β-bridge	trans	-137.1	147.8	-177.8	-66.9	0	0	0	0	112.8	L13 D14	L13-T883 PolarHBondContact O-N 2.84Å; L13-T883 PolarHBondContact O-OG1 3Å; D14-T883 PolarHBondContact N-OG1 3Å; D14-T883 VanDerWaalsContact N-OG1 3.13Å; D14-T883 WeakPolarHBondContact O-CA 2.94Å; D14-T883 WeakPolarHBondContact O-CB 3.49Å; D14-T883 PolarHBondContact O-N 3.43Å; D14-T883 PolarHBondContact O-OG1 3Å
884	G	35	Very low	31.3	Very low	62 Å²	62	117.6 Å²	117.6	64%	0.639	69%	0.691	S	S	*	*			trans	131.9	150.7	171.8	0	0	0	0	0	111.8
885	I	32	Very low	31	Very low	140 Å²	140	112.5 Å²	112.5	72%	0.718	67%	0.674	S	S	*	*			cis	-158.9	176.6	11.8	-98.9	149.4	0	0	0	108.9
886	T	34.2	Very low	30.9	Very low	135 Å²	135	115.5 Å²	115.5	83%	0.828	68%	0.678	S	S	*	*			trans	-37.6	165.7	175.5	58.6	0	0	0	0	118.6
887	G	30.8	Very low	31	Very low	69 Å²	69	113.5 Å²	113.5	71%	0.711	68%	0.675	S	S	*	*			cis	136.8	155.2	2.8	0	0	0	0	0	113.8
888	C	31.4	Very low	31	Very low	126 Å²	126	115.3 Å²	115.3	85%	0.851	69%	0.688	S	S	*	*			trans	-171.2	127.9	166.9	-101.8	0	0	0	0	110.1
889	K	30.1	Very low	31	Very low	190 Å²	190	113.8 Å²	113.8	83%	0.826	69%	0.691	S	S	*	*				65.5	126.3	77.9	-109.5	179.7	-178.7	174.7	0	113.7
890	L	31.3	Very low	31.2	Very low	143 Å²	143	114.7 Å²	114.7	75%	0.749	69%	0.688	S	S	*	*			cis	-153.7	155.4	36.8	-75.2	155.7	0	0	0	115.5
891	T	26.4	Very low	31.4	Very low	111 Å²	111	108.5 Å²	108.5	68%	0.681	67%	0.669	S	S	*	*			trans	16.1	151	147.1	60.5	0	0	0	0	123.9
892	N	25.1	Very low	31.4	Very low	142 Å²	142	107 Å²	107	76%	0.759	66%	0.661	S	S	*	*			cis	-167.7	149.2	-8.2	-101.4	2.8	0	0	0	111.9
893	T	28	Very low	31.4	Very low	103 Å²	103	106 Å²	106	63%	0.632	65%	0.647	S	S	*	*			trans	72.5	-175.3	172	82.1	0	0	0	0	119.8	V796	V796-T893 WeakPolarHBondContact O-CB 3.29Å; V796-T893 PolarHBondContact O-OG1 2.67Å
894	S	27.3	Very low	31.4	Very low	51 Å²	51	104.8 Å²	104.8	36%	0.357	64%	0.636	S	S	.	*			cis	-155.8	-155.1	24.8	-34.7	0	0	0	0	113.4	T795 V796 N797	T795-S894 WeakPolarHBondContact CB-OG 3.41Å; T795-S894 WeakPolarHBondContact CG2-OG 3.37Å; V796-S894 PolarHBondContact N-OG 3.41Å; V796-S894 VanDerWaalsContact O-CA 3.25Å; V796-S894 WeakPolarHBondContact O-CA 3.46Å; V796-S894 WeakPolarHBondContact O-CB 3.4Å; V796-S894 PolarHBondContact O-OG 2.9Å; N797-S894 PolarHBondContact ND2-O 3.16Å
895	S	28	Very low	31.4	Very low	63 Å²	63	105.2 Å²	105.2	44%	0.441	63%	0.628	S	S	.	*			cis	-161.6	139	-18.9	-108.2	0	0	0	0	112.1	V796 N797	V796-S895 PolarHBondContact N-OG 3.09Å; N797-S895 WeakPolarHBondContact ND2-CA 3.43Å; N797-S895 PolarHBondContact ND2-N 2.91Å
896	L	28.9	Very low	31.4	Very low	144 Å²	144	107 Å²	107	75%	0.754	63%	0.626	S	S	*	*			trans	-160.3	172.4	-174.7	-70.4	179.5	0	0	0	116.5
897	P	37.1	Very low	31.2	Very low	114 Å²	114	102.4 Å²	102.4	74%	0.74	60%	0.599	S	S	*	*			cis	-142.6	-170	-45.2	43.4	-23.9	0	0	0	118.1
898	S	29.4	Very low	31.3	Very low	128 Å²	128	101.6 Å²	101.6	90%	0.895	58%	0.583	S	S	*	*			trans	-158.5	-175	-175.9	-60.9	0	0	0	0	119.5
899	T	31.6	Very low	31.7	Very low	143 Å²	143	98.5 Å²	98.5	88%	0.877	56%	0.562	S	S	*	*			trans	-135.2	-166.6	-169.6	55.2	0	0	0	0	115.9
900	D	33.6	Very low	32.1	Very low	117 Å²	117	90.8 Å²	90.8	63%	0.626	53%	0.532	S	S	*	.			cis	-153.9	-119	12.2	-174	55.2	0	0	0	118.3	R107	R107-D900 WeakPolarHBondContact CA-O 3.37Å
901	S	34.2	Very low	32.4	Very low	59 Å²	59	84.4 Å²	84.4	41%	0.413	50%	0.5	S	S	.	.			trans	-141.3	-166.2	-154.8	75.7	0	0	0	0	116.4	E106	E106-S901 VanDerWaalsContact N-C 3.29Å; E106-S901 PolarHBondContact N-O 3.41Å
902	G	34.8	Very low	32.9	Very low	19 Å²	19	79.2 Å²	79.2	20%	0.196	47%	0.468	C	S	.	.			cis	177.3	132.4	-0.5	0	0	0	0	0	115.4	N105	N105-G902 PolarHBondContact ND2-O 2.98Å
903	H	36.5	Very low	33.5	Very low	91 Å²	91	72.8 Å²	72.8	42%	0.421	43%	0.434	S	S	.	.			trans	100.7	160.9	-175.1	-63.3	76.8	0	0	0	115	Y104 N105 E106	Y104-H903 HydrophobicContact CE1-CB 4.39Å; N105-H903 PolarHBondContact ND2-N 3.38Å; N105-H903 PolarHBondContact ND2-O 3.39Å; E106-H903 PolarHBondContact OE1-N 3.09Å
904	E	33.9	Very low	34.2	Very low	50 Å²	50	69.6 Å²	69.6	23%	0.234	42%	0.415	C	S	.	.			cis	-167.3	172	-19.1	-109	-155.8	-123.6	0	0	108.2	S516 Y518	S516-E904 WeakPolarHBondContact CB-OE1 3.3Å; S516-E904 PolarHBondContact OG-OE1 2.85Å; Y518-E904 WeakPolarHBondContact CB-OE2 3.5Å; Y518-E904 HydrophobicContact CG-CG 4.39Å
905	C	35	Very low	34.7	Very low	71 Å²	71	70.3 Å²	70.3	48%	0.48	43%	0.43	S	S	.	.			cis	173.2	-165.7	-44.3	-98.7	0	0	0	0	113.2	Y518	Y518-C905 HydrophobicContact CD1-CB 3.92Å; Y518-C905 HydrophobicContact CD2-CB 3.64Å; Y518-C905 HydrophobicContact CE1-CB 3.6Å; Y518-C905 WeakPolarHBondContact CE1-SG 3.46Å; Y518-C905 HydrophobicContact CE2-CB 3.37Å; Y518-C905 HydrophobicContact CG-CB 3.94Å
906	W	31.1	Very low	35.5	Very low	179 Å²	179	71 Å²	71	68%	0.678	43%	0.433	S	S	*	.			trans	153.8	54.8	152.1	-71	0	0	0	0	124.1	K503 L517	K503-W906 PolarHBondContact NZ-O 3.35Å; L517-W906 HydrophobicContact CD1-CD2 4.49Å; L517-W906 HydrophobicContact CD1-CG 4.2Å
907	S	30.9	Very low	36	Very low	38 Å²	38	71.7 Å²	71.7	27%	0.266	44%	0.437	S	S	.	.			trans	56.6	0	131.7	-56	0	0	0	0	130.9	K503 Y518 L521	K503-S907 WeakPolarHBondContact CD-O 3.36Å; K503-S907 WeakPolarHBondContact CE-O 3.46Å; K503-S907 PolarHBondContact NZ-O 2.84Å; Y518-S907 WeakPolarHBondContact CE2-OG 3.41Å; L521-S907 WeakPolarHBondContact CD1-OG 3.29Å
908	S	33.2	Very low	35.9	Very low	52 Å²	52	73.3 Å²	73.3	36%	0.364	44%	0.44	S	S	.	.				0	0	0	-163.7	0	0	0	0	121.3	M500	M500-S908 WeakPolarHBondContact CB-OG 3.11Å; M500-S908 VanDerWaalsContact CG-OG 3.3Å; M500-S908 WeakPolarHBondContact CG-OG 3.13Å
909	S	39.3	Very low	36.4	Very low	60 Å²	60	71.6 Å²	71.6	42%	0.42	43%	0.433	S	S	.	.				0	121.4	0	-65.2	0	0	0	0	125.3	R498 R499 M500	R498-S909 CarbonylContact C-O 3.5Å; R498-S909 WeakPolarHBondContact CG-O 3.46Å; R499-S909 VanDerWaalsContact C-N 3.32Å; R499-S909 CarbonylContact C-O 3.47Å; R499-S909 VanDerWaalsContact C-O 3.29Å; R499-S909 WeakPolarHBondContact CA-O 3.46Å; R499-S909 VanDerWaalsContact CB-O 3.23Å; R499-S909 WeakPolarHBondContact CB-O 3.23Å; R499-S909 PolarHBondContact N-O 3.21Å; M500-S909 VanDerWaalsContact CB-CA 3.49Å; M500-S909 VanDerWaalsContact N-N 3.12Å; M500-S909 PolarHBondContact N-O 2.89Å
910	S	37.6	Very low	36.6	Very low	28 Å²	28	70.6 Å²	70.6	20%	0.196	43%	0.432	C	S	.	.			trans	61.7	0	163.7	2.9	0	0	0	0	125.5	R498 H501	R498-S910 CarbonylContact C-O 3.17Å; R498-S910 WeakPolarHBondContact CA-O 3.29Å; R498-S910 VanDerWaalsContact CZ-CB 3.43Å; R498-S910 VanDerWaalsContact N-C 3.34Å; R498-S910 PolarHBondContact N-O 3.48Å; R498-S910 VanDerWaalsContact NE-CB 3.28Å; R498-S910 PolarHBondContact NE-OG 2.84Å; R498-S910 PolarHBondContact NH1-OG 2.79Å; H501-S910 PolarHBondContact N-O 2.7Å
911	S	38.6	Very low	36.9	Very low	9 Å²	9	71.1 Å²	71.1	6%	0.063	44%	0.44	C	S	.	.				0	0	0	-156.5	0	0	0	0	115.4	D477 L497 R498	D477-S911 VanDerWaalsContact CG-CA 3.48Å; D477-S911 VanDerWaalsContact CG-OG 3.25Å; D477-S911 WeakPolarHBondContact OD1-CB 3.34Å; D477-S911 PolarHBondContact OD1-OG 2.76Å; D477-S911 WeakPolarHBondContact OD2-CA 3.18Å; L497-S911 VanDerWaalsContact C-CB 3.42Å; L497-S911 WeakPolarHBondContact CB-O 3.12Å; L497-S911 WeakPolarHBondContact CD1-O 3.26Å; L497-S911 WeakPolarHBondContact O-CB 3.43Å; R498-S911 PolarHBondContact NH2-OG 3.3Å
912	C	36.3	Very low	37	Very low	3 Å²	3	80.3 Å²	80.3	2%	0.02	47%	0.466	C	S	.	.				0	-172	0	65.4	0	0	0	0	112.2	E161 H162 D477 I482 L497	E161-C912 CarbonylContact C-O 2.72Å; H162-C912 PolarHBondContact N-O 3.38Å; D477-C912 CarbonylContact O-C 3.45Å; D477-C912 WeakPolarHBondContact O-CA 3.45Å; I482-C912 HydrophobicContact CB-CB 3.84Å; I482-C912 HydrophobicContact CG2-CB 4.2Å; I482-C912 PolarHBondContact O-SG 3.44Å; L497-C912 HydrophobicContact CB-CB 4.38Å; L497-C912 VanDerWaalsContact CB-N 3.35Å; L497-C912 VanDerWaalsContact CB-SG 3.59Å; L497-C912 VanDerWaalsContact CD2-SG 3.55Å; L497-C912 PolarHBondContact O-SG 2.65Å; L497-C912 VanDerWaalsContact O-SG 3.4Å
913	S	38.7	Very low	36.8	Very low	7 Å²	7	82.6 Å²	82.6	5%	0.049	49%	0.489	C	S	.	.				179.7	152.5	-59	-58.9	0	0	0	0	119.5	K476 D477 S478 R480	K476-S913 PolarHBondContact O-OG 2.83Å; D477-S913 PolarHBondContact O-OG 3.31Å; S478-S913 PolarHBondContact N-OG 3.15Å; S478-S913 WeakPolarHBondContact O-CA 3.33Å; S478-S913 WeakPolarHBondContact O-CB 3.28Å; S478-S913 PolarHBondContact O-OG 2.92Å; R480-S913 WeakPolarHBondContact O-CB 3.41Å; R480-S913 PolarHBondContact O-OG 2.89Å
914	V	41.3	Very low	36.6	Very low	36 Å²	36	86.2 Å²	86.2	22%	0.218	51%	0.506	C	S	.	.			trans	59.2	161.6	148.5	-124.3	0	0	0	0	133.5	E158 V159 P160 S478 R480 D481	E158-V914 WeakPolarHBondContact O-CG1 3.22Å; V159-V914 WeakPolarHBondContact O-CA 3.25Å; V159-V914 WeakPolarHBondContact O-CB 2.88Å; V159-V914 WeakPolarHBondContact O-CG1 3.2Å; V159-V914 PolarHBondContact O-N 3.4Å; P160-V914 PolarHBondContact O-N 2.76Å; S478-V914 PolarHBondContact O-N 3.36Å; R480-V914 VanDerWaalsContact CA-CG2 3.41Å; R480-V914 VanDerWaalsContact N-CG2 3.25Å; R480-V914 WeakPolarHBondContact O-CG2 3.12Å; D481-V914 HydrophobicContact CB-CG2 4.25Å; D481-V914 WeakPolarHBondContact OD2-CB 3.25Å
915	G	38.7	Very low	36.3	Very low	66 Å²	66	90.4 Å²	90.4	68%	0.68	53%	0.526	S	S	*	.			trans	169.2	123.2	139.1	0	0	0	0	0	121.8
916	P	44	Very low	36	Very low	78 Å²	78	94.8 Å²	94.8	51%	0.506	54%	0.539	S	S	.	.			trans	-142	168.4	-176.5	42.4	-25.7	0	0	0	122.6
917	N	39.2	Very low	36	Very low	158 Å²	158	91.1 Å²	91.1	85%	0.845	55%	0.547	S	S	*	.			trans	-175.7	179.9	171.9	-112.2	-111.4	0	0	0	114.3
918	N	35.2	Very low	36.2	Very low	147 Å²	147	94.1 Å²	94.1	79%	0.786	57%	0.574	S	S	*	*			cis	176	149.7	-36.6	-174.9	8.9	0	0	0	115.3
919	A	40	Very low	36.2	Very low	92 Å²	92	98 Å²	98	76%	0.76	60%	0.596	S	S	*	*			trans	-176.8	160.9	175.7	0	0	0	0	0	120.9
920	S	36.3	Very low	36.1	Very low	123 Å²	123	100.1 Å²	100.1	86%	0.86	61%	0.608	S	S	*	*			trans	178.2	165.9	165.5	-81.4	0	0	0	0	119.9
921	T	39.6	Very low	35.6	Very low	128 Å²	128	106.3 Å²	106.3	79%	0.785	64%	0.638	S	S	*	*			trans	156.5	148.1	134.8	-36.5	0	0	0	0	119.7
922	W	35.8	Very low	35.2	Very low	252 Å²	252	114.5 Å²	114.5	96%	0.955	67%	0.673	S	S	*	*			trans	66.7	159.4	163.8	-77.1	103.7	0	0	0	123.1
923	G	30.6	Very low	34.9	Very low	67 Å²	67	120.9 Å²	120.9	69%	0.691	71%	0.711	S	S	*	*			trans	173.8	156.1	169.1	0	0	0	0	0	116.2
924	Q	33.4	Very low	34.4	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	74%	0.743	S	S	*	*			trans	-164.1	152.1	170.6	-147.8	172.8	-5.5	0	0	112.9
925	Q	28.3	Very low	34.3	Very low	139 Å²	139	129 Å²	129	65%	0.65	77%	0.77	S	S	*	*			trans	50.7	136.5	157.5	-89.9	158.3	-96.4	0	0	124.9
926	E	28.2	Very low	34	Very low	163 Å²	163	131.5 Å²	131.5	76%	0.762	77%	0.774	S	S	*	*			trans	88.4	121.5	138.6	-77.7	160.3	-142.4	0	0	124.8
927	A	31.1	Very low	33.3	Very low	101 Å²	101	132.5 Å²	132.5	84%	0.835	78%	0.783	S	S	*	*			trans	89.5	141.7	141.6	0	0	0	0	0	123.3
928	A	35.1	Very low	32.9	Very low	101 Å²	101	130.2 Å²	130.2	84%	0.835	78%	0.779	S	S	*	*			trans	70.5	74.5	153.2	0	0	0	0	0	121.9
929	T	33.3	Very low	32.7	Very low	135 Å²	135	128.6 Å²	128.6	83%	0.828	78%	0.78	S	S	*	*			trans	-72.8	-177.9	141	13.4	0	0	0	0	111.6
930	P	36.2	Very low	32.2	Very low	104 Å²	104	128.8 Å²	128.8	68%	0.675	78%	0.775	S	S	*	*			cis	-141.9	-165.3	-8	27.6	-0.4	0	0	0	116.2
931	L	28.6	Very low	31.9	Very low	158 Å²	158	133.3 Å²	133.3	83%	0.827	78%	0.775	S	S	*	*			trans	73.3	144.8	158.5	-48.4	-175.3	0	0	0	119.2
932	K	30	Very low	31.7	Very low	180 Å²	180	133 Å²	133	78%	0.783	78%	0.775	S	S	*	*			cis	97.3	99.7	6.6	-164	-171.6	175.4	-176.6	0	118.8
933	V	29.8	Very low	31.5	Very low	137 Å²	137	125.2 Å²	125.2	83%	0.83	76%	0.759	S	S	*	*			trans	-150.3	132.3	156.8	-177.8	0	0	0	0	104.6
934	S	28.4	Very low	31.5	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	76%	0.764	S	S	*	*			cis	97.8	146.2	37	-58.2	0	0	0	0	114.1
935	S	38.3	Very low	31.6	Very low	112 Å²	112	130 Å²	130	78%	0.783	77%	0.769	S	S	*	*			trans	-73.1	166.2	-167.6	-38.3	0	0	0	0	115.3
936	P	32.6	Very low	32.1	Very low	118 Å²	118	128 Å²	128	77%	0.766	77%	0.768	S	S	*	*				-142.1	169.1	94.4	40.1	-27.5	0	0	0	113.8
937	S	29.9	Very low	32	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	77%	0.769	S	S	*	*			cis	98.3	138.3	-0.9	83.4	0	0	0	0	120.7
938	S	29.6	Very low	32	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	76%	0.763	S	S	*	*			trans	101.4	147.8	158.7	80.9	0	0	0	0	120.8
939	S	31	Very low	31.7	Very low	114 Å²	114	125 Å²	125	80%	0.797	76%	0.758	S	S	*	*			trans	72.5	151	163.4	77.5	0	0	0	0	120.1
940	S	29	Very low	31.4	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	75%	0.751	S	S	*	*			cis	-174.5	128.9	-29.4	51.4	0	0	0	0	113.3
941	Y	31.5	Very low	31.1	Very low	218 Å²	218	127.6 Å²	127.6	86%	0.855	76%	0.755	S	S	*	*			trans	57.5	175.7	160.2	-80.4	-96.9	0	0	0	118.1
942	P	35.4	Very low	31	Very low	122 Å²	122	124.9 Å²	124.9	79%	0.792	75%	0.75	S	S	*	*			cis	-111.3	-167.6	-19.1	14.9	9.8	0	0	0	110.4
943	S	31.9	Very low	31.2	Very low	87 Å²	87	122.5 Å²	122.5	61%	0.608	75%	0.75	S	S	*	*			cis	167.1	161	-27.8	-168.5	0	0	0	0	105.6
944	N	29	Very low	31.4	Very low	150 Å²	150	121.4 Å²	121.4	80%	0.802	75%	0.746	S	S	*	*			trans	85	106.2	162.3	-58.2	4.7	0	0	0	120.8
945	Q	37.1	Very low	31.5	Very low	185 Å²	185	121.3 Å²	121.3	86%	0.864	75%	0.745	S	S	*	*			trans	-46.5	-171.7	135.4	-110	-169	3	0	0	114.3
946	P	37.7	Very low	31	Very low	97 Å²	97	122.4 Å²	122.4	63%	0.63	74%	0.741	S	S	*	*			cis	-138.9	-165.6	8.9	40.6	-20.2	0	0	0	116
947	S	27.5	Very low	31.1	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	74%	0.741	S	S	*	*			trans	70	154.2	150.5	-62.3	0	0	0	0	118.3
948	G	30.1	Very low	31.4	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	74%	0.739	S	S	*	*			cis	114.7	147.6	16.8	0	0	0	0	0	109.5
949	T	29.5	Very low	31.7	Very low	118 Å²	118	126 Å²	126	72%	0.724	73%	0.729	S	S	*	*			cis	-154.7	157.1	8.2	41.9	0	0	0	0	111
950	N	26.8	Very low	32.1	Very low	129 Å²	129	128.1 Å²	128.1	69%	0.69	73%	0.727	S	S	*	*			trans	29.9	147.7	137.6	-50.4	-14.9	0	0	0	122.6
951	H	29.7	Very low	32.6	Very low	165 Å²	165	128.6 Å²	128.6	76%	0.764	73%	0.725	S	S	*	*			trans	115.2	133.7	148.4	-59.5	-62.1	0	0	0	115.4
952	S	27.2	Very low	32.8	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	71%	0.709	S	S	*	*			cis	-167.6	160.8	-19.4	-104.8	0	0	0	0	109.4
953	T	33.7	Very low	32.8	Very low	129 Å²	129	121 Å²	121	79%	0.791	69%	0.693	S	S	*	*			trans	-56	175	161.7	40.2	0	0	0	0	113.7
954	P	33	Very low	32.9	Very low	114 Å²	114	123.1 Å²	123.1	74%	0.74	69%	0.693	S	S	*	*			cis	-96.7	-151.2	14.8	43.7	-40.4	0	0	0	113.5	I956	P954-I956 HydrophobicContact CB-CD1 4.49Å
955	S	30.3	Very low	33.1	Very low	100 Å²	100	121.5 Å²	121.5	70%	0.699	68%	0.683	S	S	*	*			cis	-151.2	154	7.1	45	0	0	0	0	109.8
956	I	28.7	Very low	32.9	Very low	135 Å²	135	117.3 Å²	117.3	69%	0.692	67%	0.67	S	S	*	*			cis	89.7	141.9	39.3	-57.3	168.2	0	0	0	113.9	P954	P954-I956 HydrophobicContact CB-CD1 4.49Å
957	F	33.9	Very low	32.5	Very low	177 Å²	177	117.9 Å²	117.9	78%	0.776	67%	0.668	S	S	*	*			trans	77.9	136.4	-171.8	-61.2	-84.5	0	0	0	114.7
958	D	37.5	Very low	32.9	Very low	120 Å²	120	119.4 Å²	119.4	64%	0.642	66%	0.663	S	S	*	*			cis	-170.7	169.5	-13.2	-117.6	14.5	0	0	0	108.2
959	N	35.7	Very low	33.1	Very low	105 Å²	105	121.9 Å²	121.9	56%	0.561	66%	0.656	S	S	*	*			cis	-157.2	174.4	4.1	-138.2	-24.8	0	0	0	114.5
960	Q	39.9	Very low	33.3	Very low	159 Å²	159	124.6 Å²	124.6	74%	0.743	66%	0.658	S	S	*	*			trans	-7.7	151.2	151	-74.6	166.5	68.1	0	0	122.2
961	V	39	Very low	33.6	Very low	107 Å²	107	122.2 Å²	122.2	65%	0.648	65%	0.651	S	S	*	*			cis	-168.4	142.2	-8.8	53.3	0	0	0	0	112.1
962	T	36.4	Very low	33.8	Very low	84 Å²	84	120.8 Å²	120.8	52%	0.515	65%	0.649	S	S	.	*			trans	-155.7	148.6	151.2	43.1	0	0	0	0	110.4	Q1273	T962-Q1273 PolarHBondContact OG1-O 3.43Å
963	E	35.2	Very low	34.2	Very low	95 Å²	95	123.9 Å²	123.9	44%	0.444	65%	0.652	S	S	.	*			cis	-160.8	165.9	-41	-123.8	-64.1	64.4	0	0	109.6	Q1276	E963-Q1276 PolarHBondContact O-NE2 2.75Å
964	Q	33.2	Very low	34.2	Very low	133 Å²	133	122.2 Å²	122.2	62%	0.621	64%	0.639	S	S	*	*			trans	-14.7	140.2	162.6	-86	179.8	85.6	0	0	117.8
965	I	33.4	Very low	34.4	Very low	116 Å²	116	119.3 Å²	119.3	60%	0.595	62%	0.621	S	S	*	*			cis	-151.7	148	16.9	-57.5	-178.2	0	0	0	108.9	Q1276	I965-Q1276 WeakPolarHBondContact O-CB 3.25Å
966	V	33.2	Very low	34.5	Very low	96 Å²	96	124.1 Å²	124.1	58%	0.582	62%	0.624	S	S	*	*			cis	-152.3	158.4	-26.1	136.8	0	0	0	0	106.7	Q1277	V966-Q1277 WeakPolarHBondContact O-CB 3.44Å; V966-Q1277 WeakPolarHBondContact O-CG 3.42Å; V966-Q1277 PolarHBondContact O-OE1 3.41Å
967	N	29.7	Very low	34.8	Very low	110 Å²	110	123 Å²	123	59%	0.588	62%	0.619	S	S	*	*			trans	-62	178.3	-179	-53.7	-33.9	0	0	0	114.6	Q1277	N967-Q1277 PolarHBondContact OD1-NE2 2.81Å
968	E	34.5	Very low	34.7	Very low	146 Å²	146	120 Å²	120	68%	0.682	61%	0.607	S	S	*	*			cis	-152.9	176.7	31	-70.7	-165.4	94.7	0	0	110.9
969	Q	34.2	Very low	34.3	Very low	119 Å²	119	122.4 Å²	122.4	56%	0.556	62%	0.62	S	S	*	*			cis	-162.4	154.2	6.3	-135.6	169.7	43.5	0	0	110
970	F	33.5	Very low	33.9	Very low	175 Å²	175	123.2 Å²	123.2	77%	0.768	63%	0.633	S	S	*	*			trans	58.6	173.4	152.9	-65.4	-35.3	0	0	0	119.2
971	S	32.9	Very low	33.3	Very low	79 Å²	79	119.2 Å²	119.2	55%	0.552	64%	0.635	S	S	*	*			cis	-172.8	161	-32.8	-88.7	0	0	0	0	109.3
972	D	35.5	Very low	32.9	Very low	136 Å²	136	119 Å²	119	73%	0.727	64%	0.638	S	S	*	*			cis	-148.3	-98.2	-16.4	-90.2	-14.5	0	0	0	110.4
973	H	35.6	Very low	32.5	Very low	166 Å²	166	125.2 Å²	125.2	77%	0.769	65%	0.653	S	S	*	*			trans	-147.1	161	-153.5	-85.8	-89.8	0	0	0	113.7
974	D	33.6	Very low	32.5	Very low	95 Å²	95	125.7 Å²	125.7	51%	0.508	67%	0.665	S	S	.	*			cis	-157.2	157.4	18.1	-146.9	3.2	0	0	0	118.8	S1093	D974-S1093 WeakPolarHBondContact O-CB 3.29Å; D974-S1093 PolarHBondContact O-OG 3.34Å
975	S	36.3	Very low	32.2	Very low	53 Å²	53	125.8 Å²	125.8	37%	0.371	67%	0.67	S	S	.	*			trans	40.7	136.1	140.8	-71.5	0	0	0	0	130.2	S1093 H1094	S975-S1093 VanDerWaalsContact C-C 3.49Å; S975-S1093 CarbonylContact C-O 3.48Å; S975-S1093 CarbonylContact O-C 3.56Å; S975-S1093 VanDerWaalsContact O-C 3.28Å; S975-S1093 WeakPolarHBondContact O-CB 3.09Å; S975-S1093 PolarHBondContact O-OG 3.45Å; S975-H1094 CarbonylContact C-O 3.13Å
976	R	33.4	Very low	32.2	Very low	201 Å²	201	127.5 Å²	127.5	76%	0.758	69%	0.686	S	S	*	*			trans	116.9	145.4	158.2	-48.4	-161.1	86.1	79.4	6.5	123	S1093 H1094	R976-S1093 CarbonylContact C-O 3.22Å; R976-S1093 WeakPolarHBondContact CA-O 3.34Å; R976-S1093 WeakPolarHBondContact CB-O 3.18Å; R976-S1093 PolarHBondContact N-O 3.19Å; R976-S1093 CarbonylContact O-C 3.6Å; R976-H1094 CarbonylContact C-O 3.57Å; R976-H1094 WeakPolarHBondContact CA-O 3.32Å; R976-H1094 PolarHBondContact N-O 3.1Å; R976-H1094 CarbonylContact O-C 3.58Å; R976-H1094 WeakPolarHBondContact O-CA 3.4Å; R976-H1094 PolarHBondContact O-N 3.2Å
977	D	34	Very low	31.9	Very low	110 Å²	110	130.2 Å²	130.2	59%	0.588	70%	0.696	S	S	*	*				-119.6	174.5	-121.1	-159.5	3.4	0	0	0	114.2	N1095 S1096	D977-N1095 VanDerWaalsContact OD1-O 3.07Å; D977-S1096 PolarHBondContact OD1-N 3.37Å
978	Q	32	Very low	31.7	Very low	115 Å²	115	133.2 Å²	133.2	54%	0.537	71%	0.706	S	S	.	*			trans	-68.4	177.6	-170.9	-53.3	147.6	98.3	0	0	115.9	S1096	Q978-S1096 VanDerWaalsContact NE2-C 3.29Å; Q978-S1096 VanDerWaalsContact NE2-N 3.18Å; Q978-S1096 PolarHBondContact NE2-O 3.21Å
979	L	28.9	Very low	31.4	Very low	171 Å²	171	131 Å²	131	90%	0.895	71%	0.706	S	S	*	*				-179.6	120.3	111.4	-97.4	165.8	0	0	0	113.9
980	S	27	Very low	31.2	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	71%	0.711	S	S	*	*			trans	-161.5	113.1	157.6	63.7	0	0	0	0	114.7
981	G	28.8	Very low	31	Very low	75 Å²	75	125.7 Å²	125.7	77%	0.773	71%	0.708	S	S	*	*			trans	79.2	166.4	161.7	0	0	0	0	0	117.9
982	S	29.8	Very low	30.9	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	72%	0.721	S	S	*	*			cis	-174.2	116.3	-21	46.5	0	0	0	0	113.1
983	Y	28.2	Very low	30.8	Very low	214 Å²	214	128.2 Å²	128.2	84%	0.839	72%	0.718	S	S	*	*			trans	61.9	177.7	159.8	-74.1	-75.8	0	0	0	115.7
984	P	34.8	Very low	30.8	Very low	106 Å²	106	126 Å²	126	69%	0.688	72%	0.716	S	S	*	*			cis	-131.3	158.4	4.4	40.7	-23.3	0	0	0	118.8
985	N	27.7	Very low	30.8	Very low	135 Å²	135	129 Å²	129	72%	0.722	73%	0.732	S	S	*	*			trans	40.2	122.6	139.2	-51.9	-13.7	0	0	0	122.3
986	T	32.1	Very low	30.9	Very low	152 Å²	152	130.1 Å²	130.1	93%	0.933	75%	0.753	S	S	*	*				-148.4	163.3	123.2	-16.5	0	0	0	0	111.4
987	L	27.3	Very low	30.8	Very low	153 Å²	153	129 Å²	129	80%	0.801	76%	0.758	S	S	*	*			trans	-105.7	141.7	-162.9	-84.3	160.8	0	0	0	111.6
988	H	26.3	Very low	30.8	Very low	172 Å²	172	129 Å²	129	80%	0.796	76%	0.764	S	S	*	*				72.4	134.7	100.2	-148	-119.1	0	0	0	113.4
989	C	26.6	Very low	30.9	Very low	101 Å²	101	129.6 Å²	129.6	68%	0.682	78%	0.775	S	S	*	*			cis	-160.7	-165.9	7.2	-149.8	0	0	0	0	112.8
990	A	30.7	Very low	31.1	Very low	80 Å²	80	127.9 Å²	127.9	66%	0.661	77%	0.772	S	S	*	*			trans	-49	164.1	175.2	0	0	0	0	0	115.8
991	S	30.1	Very low	31.5	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	76%	0.76	S	S	*	*				-178	162	76.5	-61.1	0	0	0	0	113.6
992	I	30.6	Very low	31.4	Very low	159 Å²	159	130.7 Å²	130.7	82%	0.815	76%	0.76	S	S	*	*			trans	-176.7	117.8	143.4	-93.5	148.5	0	0	0	105.6
993	T	33.8	Very low	31.2	Very low	109 Å²	109	132.5 Å²	132.5	67%	0.669	76%	0.759	S	S	*	*			cis	88.1	124.6	35.7	67.2	0	0	0	0	115.4
994	V	35.4	Very low	31.1	Very low	121 Å²	121	126.5 Å²	126.5	73%	0.733	75%	0.748	S	S	*	*				162.5	123.8	119.4	160	0	0	0	0	112.8
995	D	32.8	Very low	30.8	Very low	156 Å²	156	126.7 Å²	126.7	83%	0.834	75%	0.752	S	S	*	*			trans	47.6	146.8	149	-57.5	-10.4	0	0	0	126.2
996	G	38.6	Very low	30.8	Very low	78 Å²	78	126.4 Å²	126.4	80%	0.804	75%	0.754	S	S	*	*			trans	170.8	44.9	175.8	0	0	0	0	0	115.4
997	M	31.1	Very low	30.5	Very low	176 Å²	176	125.4 Å²	125.4	87%	0.867	75%	0.748	S	S	*	*			trans	-80.4	-176.5	-179.9	-62.2	-144.1	-73.9	0	0	112.9
998	P	34.6	Very low	30.6	Very low	110 Å²	110	121.5 Å²	121.5	71%	0.714	74%	0.744	S	S	*	*			cis	-138.9	-163.3	-3.2	24.4	3.2	0	0	0	115.8
999	V	34.8	Very low	30.7	Very low	129 Å²	129	116.9 Å²	116.9	78%	0.782	73%	0.731	S	S	*	*			trans	98.7	132.3	149.7	-167	0	0	0	0	118.2
1000	T	31.4	Very low	30.7	Very low	135 Å²	135	121.3 Å²	121.3	83%	0.828	74%	0.735	S	S	*	*			trans	-108.9	-96.9	173.5	35.2	0	0	0	0	114.7
1001	P	35.2	Very low	30.6	Very low	92 Å²	92	125 Å²	125	60%	0.597	74%	0.739	S	S	*	*				-121.7	-175.2	-123.3	31.5	-12.2	0	0	0	115
1002	Q	27.1	Very low	30.4	Very low	163 Å²	163	125.7 Å²	125.7	76%	0.762	74%	0.739	S	S	*	*			trans	76.2	160	168.6	-41.5	177.8	6.5	0	0	113.1
1003	M	25.7	Very low	30.4	Very low	141 Å²	141	125.7 Å²	125.7	70%	0.695	74%	0.74	S	S	*	*			cis	-142.9	143.3	22.7	-113.1	-70.7	104.1	0	0	112.6
1004	S	27.1	Very low	30.2	Very low	87 Å²	87	126.6 Å²	126.6	61%	0.608	75%	0.747	S	S	*	*			trans	12.5	164.5	146.9	71	0	0	0	0	124.7
1005	S	27.3	Very low	30	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	75%	0.752	S	S	*	*			trans	90.1	140.2	156.4	86.6	0	0	0	0	117.2
1006	V	27.6	Very low	29.8	Very low	128 Å²	128	130.6 Å²	130.6	78%	0.776	76%	0.755	S	S	*	*			cis	-154	152.7	-12.7	113.9	0	0	0	0	110.1
1007	V	27.5	Very low	29.4	Very low	131 Å²	131	132 Å²	132	79%	0.794	75%	0.752	S	S	*	*			trans	16	138.5	158.1	-172.9	0	0	0	0	119.9
1008	G	28	Very low	29.4	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	75%	0.748	S	S	*	*			trans	-176.4	-16	169.2	0	0	0	0	0	118
1009	S	27.9	Very low	29.3	Very low	75 Å²	75	134.6 Å²	134.6	52%	0.524	75%	0.754	S	S	.	*			trans	22.7	133.3	149.3	62	0	0	0	0	122.3
1010	Y	27	Very low	29	Very low	195 Å²	195	135.5 Å²	135.5	77%	0.765	75%	0.754	S	S	*	*			trans	106.4	114	143.9	-58	-49.6	0	0	0	121.5
1011	Q	28.3	Very low	28.8	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	75%	0.75	S	S	*	*				92.8	114.7	121.9	-72.7	170.7	6.1	0	0	122.6
1012	T	26.5	Very low	28.5	Very low	117 Å²	117	139.3 Å²	139.3	72%	0.718	76%	0.761	S	S	*	*			trans	66.7	119.8	132.2	57.4	0	0	0	0	123.1
1013	L	30.3	Very low	28.7	Very low	158 Å²	158	139.1 Å²	139.1	83%	0.827	76%	0.764	S	S	*	*				26.5	141.2	111.9	-60.9	177.3	0	0	0	118.3
1014	P	30.7	Very low	28.8	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	75%	0.752	S	S	*	*				-149.6	-165.9	52.3	42	-20.8	0	0	0	117.6
1015	L	30.8	Very low	28.9	Very low	159 Å²	159	136.8 Å²	136.8	83%	0.832	75%	0.747	S	S	*	*			trans	-85.3	155.2	-179.3	-63.3	149.3	0	0	0	113.9
1016	K	29	Very low	29.1	Very low	203 Å²	203	134.8 Å²	134.8	88%	0.883	73%	0.73	S	S	*	*				-179	164.4	124	-103.6	165.8	-177.4	176.5	0	117.7
1017	S	29.2	Very low	29.2	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	72%	0.72	S	S	*	*			trans	69.2	105	151.6	57	0	0	0	0	123.9
1018	N	31.2	Very low	29.4	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	72%	0.718	S	S	*	*				16.2	136.8	116.9	-75.6	-21.6	0	0	0	120.7
1019	K	33.2	Very low	29.4	Very low	192 Å²	192	136.5 Å²	136.5	84%	0.835	71%	0.714	S	S	*	*				-173.8	125	105.5	-98.8	162.7	-175.8	177.7	0	115.1
1020	N	27.7	Very low	29.5	Very low	147 Å²	147	139.3 Å²	139.3	79%	0.786	72%	0.723	S	S	*	*			trans	47.2	141.1	134.4	-58.2	0.1	0	0	0	125.1
1021	A	28.4	Very low	29.6	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	72%	0.721	S	S	*	*			trans	45	126.2	143.8	0	0	0	0	0	120.9
1022	R	27.3	Very low	29.8	Very low	217 Å²	217	133.1 Å²	133.1	82%	0.819	72%	0.717	S	S	*	*			cis	80.7	97.7	39.6	-165.5	-167.4	-165.2	-175.8	9.4	114.9
1023	I	31.6	Very low	30	Very low	160 Å²	160	136.1 Å²	136.1	82%	0.821	72%	0.722	S	S	*	*			trans	-129	154	151.3	-73.5	95.6	0	0	0	107.3
1024	N	27.6	Very low	29.9	Very low	83 Å²	83	134 Å²	134	44%	0.444	72%	0.721	S	S	.	*			trans	-105.1	-164.8	-169.9	-44.2	-42.2	0	0	0	112.1
1025	N	28.9	Very low	29.9	Very low	95 Å²	95	132.3 Å²	132.3	51%	0.508	71%	0.712	S	S	.	*			trans	79.1	143.5	148.7	-73.4	10.4	0	0	0	118.5	N1216 S1217	N1025-N1216 PolarHBondContact N-O 3.17Å; N1025-S1217 WeakPolarHBondContact O-CB 3.03Å; N1025-S1217 PolarHBondContact O-OG 3.28Å
1026	T	31.8	Very low	29.9	Very low	69 Å²	69	135.4 Å²	135.4	42%	0.423	71%	0.714	S	S	.	*			cis	-161.4	177.6	-29.2	6.1	0	0	0	0	108.4	S1217	T1026-S1217 WeakPolarHBondContact CA-OG 3.21Å; T1026-S1217 PolarHBondContact N-OG 2.67Å
1027	S	31.2	Very low	30.2	Very low	79 Å²	79	129.7 Å²	129.7	55%	0.552	70%	0.698	S	S	*	*			trans	75.3	124	148.8	-71.6	0	0	0	0	120.4
1028	Q	30.7	Very low	30.1	Very low	161 Å²	161	132.4 Å²	132.4	75%	0.752	70%	0.699	S	S	*	*				71.3	150.4	126.7	-62.9	178.2	58.8	0	0	117.8
1029	L	29.2	Very low	29.8	Very low	127 Å²	127	129.3 Å²	129.3	67%	0.665	69%	0.688	S	S	*	*			cis	-162.4	161.8	-5.9	-112.6	168.5	0	0	0	107.5
1030	L	29.1	Very low	29.5	Very low	133 Å²	133	126.6 Å²	126.6	70%	0.696	69%	0.688	S	S	*	*			trans	62.8	169.7	160.1	-92.4	68.4	0	0	0	116.1
1031	H	29.5	Very low	29.5	Very low	160 Å²	160	124 Å²	124	74%	0.741	68%	0.682	S	S	*	*			cis	-156.8	177.8	-31.1	-122.7	-6.6	0	0	0	108.1
1032	G	32.3	Very low	29.3	Very low	61 Å²	61	128.3 Å²	128.3	63%	0.629	68%	0.684	S	S	*	*			trans	82.2	101.2	171.6	0	0	0	0	0	113.1
1033	H	30.7	Very low	29.2	Very low	180 Å²	180	123 Å²	123	83%	0.833	68%	0.675	S	S	*	*			cis	57.9	145	43.4	-67.3	-93.7	0	0	0	115.6
1034	S	27.5	Very low	28.9	Very low	115 Å²	115	125.8 Å²	125.8	80%	0.804	68%	0.675	S	S	*	*			trans	73.7	130.9	166.7	-170.2	0	0	0	0	116.3
1035	S	31.8	Very low	28.8	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	69%	0.689	S	S	*	*			cis	-151.1	163.7	-17.1	-79.6	0	0	0	0	106.6
1036	Y	29.8	Very low	28.8	Very low	224 Å²	224	128 Å²	128	88%	0.878	69%	0.694	S	S	*	*				52.7	157	52.4	-93.8	-44.1	0	0	0	112.6
1037	P	35	Very low	28.8	Very low	84 Å²	84	133.2 Å²	133.2	55%	0.545	71%	0.713	S	S	.	*			cis	-138.5	-160.2	-15.6	39.4	-19.3	0	0	0	113.2
1038	H	26.9	Very low	29.1	Very low	163 Å²	163	134.2 Å²	134.2	76%	0.755	72%	0.721	S	S	*	*			trans	50.3	108.7	145.6	-65.4	-46	0	0	0	119.5
1039	S	26.1	Very low	29.2	Very low	84 Å²	84	131.9 Å²	131.9	59%	0.587	72%	0.719	S	S	*	*				79.4	166.2	59.2	79	0	0	0	0	114.5
1040	T	26.4	Very low	29.2	Very low	136 Å²	136	131.2 Å²	131.2	83%	0.834	72%	0.721	S	S	*	*			trans	67.7	155.5	-159.4	83.4	0	0	0	0	111
1041	S	27.3	Very low	28.9	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	71%	0.713	S	S	*	*			cis	-150.9	155.4	16.9	65.2	0	0	0	0	112.1
1042	F	24.6	Very low	28.8	Very low	180 Å²	180	127 Å²	127	79%	0.789	71%	0.71	S	S	*	*			trans	43.4	107.8	132.9	-76.9	-104.6	0	0	0	118.1
1043	V	25.5	Very low	28.5	Very low	105 Å²	105	131.6 Å²	131.6	64%	0.636	71%	0.713	S	S	*	*				86.8	142.2	87.7	154.8	0	0	0	0	112.5
1044	R	26	Very low	28.6	Very low	220 Å²	220	130.7 Å²	130.7	83%	0.83	71%	0.709	S	S	*	*			trans	67.5	146.7	176.3	-73.9	161	-166	176.9	4.9	114.3
1045	N	25.5	Very low	28.7	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	70%	0.703	S	S	*	*			cis	-168.3	-157.5	-19.9	-115.7	13.8	0	0	0	104.6
1046	S	27.8	Very low	28.7	Very low	86 Å²	86	132.2 Å²	132.2	60%	0.601	71%	0.707	S	S	*	*			trans	45.3	114.3	131	57.2	0	0	0	0	118.6
1047	Q	31.9	Very low	28.6	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	70%	0.699	S	S	*	*			cis	-158	133	7.9	-116.8	128.3	4.3	0	0	110.7
1048	S	37	Very low	28.2	Very low	101 Å²	101	133 Å²	133	71%	0.706	71%	0.707	S	S	*	*			trans	-63.9	149.1	144.4	46.3	0	0	0	0	109.5
1049	P	34.2	Very low	28.1	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	70%	0.696	S	S	*	*				-108.6	112.8	123.2	28.7	-29.2	0	0	0	108.6
1050	T	27.5	Very low	28.1	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	70%	0.703	S	S	*	*				72.4	143.7	80.4	60.6	0	0	0	0	112.6
1051	C	24.7	Very low	27.9	Very low	80 Å²	80	132.7 Å²	132.7	54%	0.541	69%	0.689	S	S	.	*			cis	-144.2	162.6	0.2	-113.2	0	0	0	0	106.8	F1053	C1051-F1053 HydrophobicContact CB-CE2 4.5Å
1052	N	25.6	Very low	28	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	69%	0.693	S	S	*	*				47.2	141.6	72.1	-37.4	-2.5	0	0	0	111.6
1053	F	27.3	Very low	28	Very low	156 Å²	156	132.5 Å²	132.5	68%	0.684	68%	0.684	S	S	*	*			cis	-138.7	-178.2	15.7	-65.5	-98.6	0	0	0	108	C1051	C1051-F1053 HydrophobicContact CB-CE2 4.5Å
1054	E	31.6	Very low	28.2	Very low	162 Å²	162	135.2 Å²	135.2	76%	0.757	69%	0.689	S	S	*	*			cis	-151.4	159.8	7.4	-153.3	120.7	-128	0	0	110
1055	N	29.5	Very low	28.2	Very low	128 Å²	128	129.5 Å²	129.5	68%	0.684	68%	0.682	S	S	*	*			trans	-134	113.5	175	-175.4	-24.1	0	0	0	109.9	R1057	N1055-R1057 PolarHBondContact OD1-N 3.43Å
1056	P	33.7	Very low	28.2	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	68%	0.683	S	S	*	*			trans	-95	127.7	145.2	-12.5	31.3	0	0	0	108.7
1057	R	26.3	Very low	28.1	Very low	189 Å²	189	128 Å²	128	71%	0.713	69%	0.688	S	S	*	*				53.5	124	51.4	-45.1	171.4	76.8	165.1	5.3	108.5	N1055	N1055-R1057 PolarHBondContact OD1-N 3.43Å
1058	L	27.3	Very low	27.9	Very low	136 Å²	136	126.1 Å²	126.1	71%	0.712	68%	0.684	S	S	*	*				-151.7	146.3	51.3	-72.4	163.5	0	0	0	108.2
1059	Q	25.2	Very low	27.7	Very low	114 Å²	114	128.2 Å²	128.2	53%	0.533	68%	0.682	S	S	.	*			cis	81.4	132.9	45.4	-167	-175.9	-30.7	0	0	112.2
1060	Y	25.2	Very low	27.5	Very low	185 Å²	185	129.3 Å²	129.3	73%	0.725	68%	0.681	S	S	*	*			trans	81.9	146	179.9	-60.1	-69.7	0	0	0	117.9
1061	S	23.5	Very low	27.7	Very low	77 Å²	77	129.8 Å²	129.8	54%	0.538	68%	0.684	S	S	.	*			cis	163.4	172.3	-35.1	52.4	0	0	0	0	110.7
1062	H	28.7	Very low	28	Very low	157 Å²	157	130 Å²	130	73%	0.727	69%	0.687	S	S	*	*			trans	67	155.8	161.9	-66	90	0	0	0	115.1
1063	D	24.6	Very low	28.2	Very low	112 Å²	112	130.5 Å²	130.5	60%	0.599	69%	0.687	S	S	*	*			cis	-166.8	172.9	-38.3	-108.2	-8.3	0	0	0	108.3
1064	H	29.4	Very low	28.4	Very low	161 Å²	161	130.9 Å²	130.9	75%	0.745	69%	0.685	S	S	*	*			trans	66.9	135.6	165.2	-51.9	-44.6	0	0	0	116.3
1065	S	24.9	Very low	28.2	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	68%	0.681	S	S	*	*			cis	80.9	123.4	30.9	86.3	0	0	0	0	115.7
1066	A	26	Very low	28.1	Very low	90 Å²	90	130 Å²	130	74%	0.744	68%	0.679	S	S	*	*			trans	79.7	109.8	167.8	0	0	0	0	0	119.5
1067	S	26.9	Very low	27.8	Very low	102 Å²	102	129 Å²	129	71%	0.713	67%	0.674	S	S	*	*				60.7	142.6	126.7	-53.9	0	0	0	0	122.9
1068	N	27.7	Very low	28	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	67%	0.674	S	S	*	*			trans	73.9	147.7	163.4	-54.2	-48.6	0	0	0	115.9
1069	Q	31.1	Very low	28.2	Very low	145 Å²	145	126.4 Å²	126.4	68%	0.678	68%	0.675	S	S	*	*			cis	-165.6	169.5	-15	-116.8	171.5	54.5	0	0	108.7
1070	I	31.9	Very low	28.5	Very low	134 Å²	134	128 Å²	128	69%	0.687	68%	0.683	S	S	*	*			trans	70.3	116.3	154.2	-74.4	160.8	0	0	0	115.7
1071	T	31.1	Very low	28.6	Very low	123 Å²	123	124 Å²	124	76%	0.755	68%	0.682	S	S	*	*				78.9	128.5	64.6	-73.4	0	0	0	0	111.7
1072	S	30.9	Very low	28.9	Very low	86 Å²	86	126.1 Å²	126.1	60%	0.601	69%	0.691	S	S	*	*			cis	-171.7	-159.7	-1.8	54	0	0	0	0	112
1073	M	30.3	Very low	28.9	Very low	136 Å²	136	124.8 Å²	124.8	67%	0.67	69%	0.689	S	S	*	*			trans	88.9	102.8	169.7	-48	-48.4	-84.4	0	0	114.1
1074	Y	30	Very low	29.2	Very low	164 Å²	164	126.2 Å²	126.2	64%	0.643	69%	0.692	S	S	*	*				97.8	142.8	65.6	-91.3	-148	0	0	0	110.7
1075	R	27.6	Very low	29.2	Very low	181 Å²	181	127 Å²	127	68%	0.683	70%	0.696	S	S	*	*			cis	-164.6	168.8	-8.2	-128	-166.4	-151.5	-153.1	10.4	109.9
1076	S	28.1	Very low	29.4	Very low	91 Å²	91	127.4 Å²	127.4	64%	0.636	70%	0.699	S	S	*	*			trans	26.1	151.9	131.4	-59.8	0	0	0	0	121.6
1077	S	28.1	Very low	29.4	Very low	86 Å²	86	128 Å²	128	60%	0.601	70%	0.698	S	S	*	*			cis	-174	157.9	4.9	-114.2	0	0	0	0	112.2
1078	D	29.4	Very low	29.5	Very low	135 Å²	135	130 Å²	130	72%	0.722	71%	0.705	S	S	*	*			trans	55.7	157	137.4	-47.9	-36.8	0	0	0	123.3
1079	D	31.5	Very low	29.6	Very low	136 Å²	136	128.9 Å²	128.9	73%	0.727	71%	0.706	S	S	*	*			trans	67.2	147.6	161.7	-68.5	-25.9	0	0	0	120
1080	Q	30.9	Very low	29.3	Very low	149 Å²	149	131.1 Å²	131.1	70%	0.696	71%	0.713	S	S	*	*			cis	-161.5	133.8	-15.4	-124.6	166.8	55.8	0	0	112.6
1081	S	27.3	Very low	29.2	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	72%	0.72	S	S	*	*			trans	66.5	164.8	139.3	78.2	0	0	0	0	123.8
1082	V	31.4	Very low	29	Very low	121 Å²	121	133 Å²	133	73%	0.733	71%	0.712	S	S	*	*			trans	79.7	98.4	158.5	-175.8	0	0	0	0	120.7
1083	N	27.4	Very low	28.9	Very low	128 Å²	128	131 Å²	131	68%	0.684	70%	0.698	S	S	*	*			trans	69.8	127.4	136.6	-79.6	-31.3	0	0	0	125.5
1084	Q	31.7	Very low	29	Very low	143 Å²	143	129.1 Å²	129.1	67%	0.668	69%	0.688	S	S	*	*			trans	78.8	93.1	131.1	-68.4	169.5	39.1	0	0	121.2
1085	Q	29.9	Very low	29	Very low	178 Å²	178	125.7 Å²	125.7	83%	0.832	68%	0.681	S	S	*	*				62.9	115.1	120	-73	168.8	-36.2	0	0	120.1
1086	S	27.5	Very low	29.1	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	66%	0.664	S	S	*	*			trans	-53.7	152.4	145.6	54.2	0	0	0	0	110.8
1087	S	27.9	Very low	29.3	Very low	104 Å²	104	124.2 Å²	124.2	73%	0.727	67%	0.67	S	S	*	*			cis	-156.6	143.7	48.1	-48.5	0	0	0	0	113.9
1088	V	29	Very low	29.3	Very low	143 Å²	143	125.4 Å²	125.4	87%	0.867	67%	0.673	S	S	*	*			trans	-79.7	138.4	162.5	-179.5	0	0	0	0	108.3
1089	P	28.1	Very low	29.4	Very low	116 Å²	116	123.4 Å²	123.4	75%	0.753	67%	0.67	S	S	*	*			trans	-84.1	-177.3	-169.9	34.3	-38.3	0	0	0	115.1
1090	F	26.5	Very low	29.4	Very low	191 Å²	191	123.3 Å²	123.3	84%	0.838	67%	0.669	S	S	*	*			trans	-49.1	-175.4	170.6	-97.1	-101.2	0	0	0	116.4
1091	Y	27.9	Very low	29.6	Very low	213 Å²	213	122.9 Å²	122.9	84%	0.835	67%	0.672	S	S	*	*			trans	97.5	128.8	164.6	-72.3	-95.6	0	0	0	114.9
1092	S	28.5	Very low	29.9	Very low	84 Å²	84	124.5 Å²	124.5	59%	0.587	67%	0.672	S	S	*	*			cis	-161.6	-156	-9.6	-152.6	0	0	0	0	109.5
1093	S	28.9	Very low	29.9	Very low	43 Å²	43	124.4 Å²	124.4	30%	0.301	67%	0.672	S	S	.	*			cis	178.8	160.2	14.5	13.3	0	0	0	0	110.9	D974 S975 R976	D974-S1093 WeakPolarHBondContact O-CB 3.29Å; D974-S1093 PolarHBondContact O-OG 3.34Å; S975-S1093 VanDerWaalsContact C-C 3.49Å; S975-S1093 CarbonylContact C-O 3.48Å; S975-S1093 CarbonylContact O-C 3.56Å; S975-S1093 VanDerWaalsContact O-C 3.28Å; S975-S1093 WeakPolarHBondContact O-CB 3.09Å; S975-S1093 PolarHBondContact O-OG 3.45Å; R976-S1093 CarbonylContact C-O 3.22Å; R976-S1093 WeakPolarHBondContact CA-O 3.34Å; R976-S1093 WeakPolarHBondContact CB-O 3.18Å; R976-S1093 PolarHBondContact N-O 3.19Å; R976-S1093 CarbonylContact O-C 3.6Å
1094	H	31.9	Very low	30.3	Very low	97 Å²	97	123 Å²	123	45%	0.449	67%	0.671	S	S	.	*			trans	62	122.3	131.4	-72	-62.9	0	0	0	134.3	S975 R976	S975-H1094 CarbonylContact C-O 3.13Å; R976-H1094 CarbonylContact C-O 3.57Å; R976-H1094 WeakPolarHBondContact CA-O 3.32Å; R976-H1094 PolarHBondContact N-O 3.1Å; R976-H1094 CarbonylContact O-C 3.58Å; R976-H1094 WeakPolarHBondContact O-CA 3.4Å; R976-H1094 PolarHBondContact O-N 3.2Å
1095	N	30.1	Very low	30.5	Very low	93 Å²	93	122.2 Å²	122.2	50%	0.497	67%	0.672	S	S	.	*				86	114	127.8	-65.8	-5.5	0	0	0	125.1	D977	D977-N1095 VanDerWaalsContact OD1-O 3.07Å
1096	S	30.4	Very low	30.8	Very low	48 Å²	48	121.6 Å²	121.6	34%	0.336	67%	0.669	S	S	.	*				89.3	161.5	111.7	76.1	0	0	0	0	121.5	D977 Q978	D977-S1096 PolarHBondContact OD1-N 3.37Å; Q978-S1096 VanDerWaalsContact NE2-C 3.29Å; Q978-S1096 VanDerWaalsContact NE2-N 3.18Å; Q978-S1096 PolarHBondContact NE2-O 3.21Å
1097	Y	30.8	Very low	31.1	Very low	192 Å²	192	122 Å²	122	75%	0.753	67%	0.667	S	S	*	*			cis	-138.1	134.2	10	-101.6	-84.4	0	0	0	108.3
1098	V	29.5	Very low	31.4	Very low	112 Å²	112	124.7 Å²	124.7	68%	0.679	67%	0.67	S	S	*	*				76	110.2	88.3	155.3	0	0	0	0	114.9
1099	S	30.5	Very low	31.6	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	66%	0.663	S	S	*	*				96.4	162.6	100.9	-80.4	0	0	0	0	114.8
1100	N	31.3	Very low	31.7	Very low	133 Å²	133	124.4 Å²	124.4	71%	0.711	66%	0.657	S	S	*	*			cis	-139.3	176.4	-17.4	-84.6	-25.8	0	0	0	107
1101	D	35	Very low	32	Very low	140 Å²	140	123.9 Å²	123.9	75%	0.749	65%	0.65	S	S	*	*				157	152.5	92.5	-91.2	-24.4	0	0	0	107.2
1102	L	34.5	Very low	32.4	Very low	136 Å²	136	121.4 Å²	121.4	71%	0.712	65%	0.647	S	S	*	*			cis	-156.2	139.1	-6.6	-155.9	74.7	0	0	0	111.2
1103	T	31.7	Very low	32.7	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	65%	0.65	S	S	*	*			trans	43.4	130.6	154.4	51.1	0	0	0	0	122
1104	S	34.3	Very low	32.9	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	67%	0.669	S	S	*	*				-168.4	117.8	77.3	-173.8	0	0	0	0	114.8
1105	N	35.6	Very low	33.1	Very low	128 Å²	128	128.2 Å²	128.2	68%	0.684	68%	0.679	S	S	*	*			trans	53.1	138.5	137.4	-60.6	-44.6	0	0	0	122.6
1106	Q	37.5	Very low	33.4	Very low	165 Å²	165	128.1 Å²	128.1	77%	0.771	68%	0.682	S	S	*	*			cis	-173.1	162.1	-12.7	-143.1	177.7	36.5	0	0	111.5
1107	V	34.1	Very low	33.6	Very low	116 Å²	116	129.7 Å²	129.7	70%	0.703	68%	0.684	S	S	*	*			trans	70.8	140.7	162.8	178.2	0	0	0	0	118.3
1108	M	32.4	Very low	34	Very low	159 Å²	159	127.3 Å²	127.3	78%	0.783	68%	0.68	S	S	*	*			cis	-166.4	-178	-29	-85.8	-157.5	-67.5	0	0	106.3
1109	F	33.2	Very low	34.2	Very low	165 Å²	165	129.3 Å²	129.3	72%	0.724	68%	0.684	S	S	*	*			cis	-154.4	-159	8.2	-161.5	-114.1	0	0	0	111	Y1111	F1109-Y1111 HydrophobicContact CE1-CD2 4.22Å; F1109-Y1111 HydrophobicContact CE1-CE2 4.16Å
1110	S	31.5	Very low	34.3	Very low	89 Å²	89	130 Å²	130	62%	0.622	69%	0.687	S	S	*	*			trans	-155.1	171.4	-169.4	58.7	0	0	0	0	117.5
1111	Y	33.5	Very low	34.3	Very low	179 Å²	179	130.6 Å²	130.6	70%	0.702	69%	0.686	S	S	*	*			trans	-176.6	-168.8	146	-107.5	-62	0	0	0	115.7	F1109	F1109-Y1111 HydrophobicContact CE1-CD2 4.22Å; F1109-Y1111 HydrophobicContact CE1-CE2 4.16Å
1112	Q	34.5	Very low	34.2	Very low	162 Å²	162	133.3 Å²	133.3	76%	0.757	69%	0.687	S	S	*	*			trans	-155.2	174.3	-159.4	-83.1	177.3	-86	0	0	112.1
1113	Q	36.1	Very low	33.8	Very low	142 Å²	142	131 Å²	131	66%	0.664	68%	0.682	S	S	*	*			cis	-179.2	172.7	-19.7	177.7	175.7	-23.1	0	0	110.4
1114	S	32.9	Very low	33.7	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	69%	0.689	S	S	*	*			trans	83.4	162.2	153.3	70.8	0	0	0	0	122.5
1115	D	36	Very low	33.5	Very low	124 Å²	124	136.8 Å²	136.8	66%	0.663	69%	0.692	S	S	*	*			cis	-172.5	-169.9	-37.7	-83.9	-40.9	0	0	0	111.1
1116	V	36.2	Very low	33.4	Very low	91 Å²	91	136.4 Å²	136.4	55%	0.552	70%	0.696	S	S	*	*			trans	112.2	102.5	157.4	-173.4	0	0	0	0	121.7	D1498	V1116-D1498 CarbonylContact C-O 2.85Å; V1116-D1498 WeakPolarHBondContact CA-O 3.39Å
1117	Q	35.2	Very low	32.8	Very low	82 Å²	82	133.2 Å²	133.2	38%	0.383	69%	0.692	S	S	.	*			trans	70.9	156.5	152.4	-71.7	177	39.9	0	0	120.7	L1497 D1498 N1499	Q1117-L1497 PolarHBondContact NE2-O 3.1Å; Q1117-D1498 WeakPolarHBondContact CA-O 3.32Å; Q1117-D1498 HydrophobicContact CG-CB 4.18Å; Q1117-D1498 WeakPolarHBondContact CG-O 3.48Å; Q1117-D1498 PolarHBondContact N-O 3.36Å; Q1117-N1499 CarbonylContact C-O 3.55Å; Q1117-N1499 VanDerWaalsContact C-O 3.24Å; Q1117-N1499 WeakPolarHBondContact CA-O 3.45Å; Q1117-N1499 PolarHBondContact N-O 2.87Å
1118	Q	39.3	Very low	32.4	Very low	142 Å²	142	133.2 Å²	133.2	66%	0.664	70%	0.697	S	S	*	*			cis	-158.5	-175.6	1.7	-127.9	-176.2	68.7	0	0	108.7
1119	M	33.8	Very low	32.1	Very low	153 Å²	153	134 Å²	134	75%	0.754	70%	0.704	S	S	*	*			cis	-158.3	-169.3	-3.4	-140	-61.8	-178.2	0	0	109.2
1120	C	31.4	Very low	31.8	Very low	107 Å²	107	134.9 Å²	134.9	72%	0.723	71%	0.71	S	S	*	*			trans	-148.3	162.2	-163.5	-61.6	0	0	0	0	117.9
1121	Q	32.7	Very low	31.6	Very low	147 Å²	147	136.4 Å²	136.4	69%	0.687	72%	0.721	S	S	*	*				162.7	157.4	108.8	-82.5	-162.6	-22.8	0	0	117.4
1122	Y	31.6	Very low	31.4	Very low	197 Å²	197	135.5 Å²	135.5	77%	0.773	72%	0.723	S	S	*	*			trans	73.3	144.1	165.2	-57.8	-69.2	0	0	0	121.5
1123	S	27.1	Very low	31.3	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	71%	0.711	S	S	*	*			cis	-173.3	162.7	-33.8	-119.5	0	0	0	0	115.4
1124	F	29.7	Very low	31	Very low	201 Å²	201	126.9 Å²	126.9	88%	0.882	69%	0.692	S	S	*	*			trans	76.5	138.3	153.8	-75.1	-61.6	0	0	0	125.1
1125	N	29.5	Very low	30.8	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	69%	0.691	S	S	*	*			trans	-89.5	164.5	164.1	-141	-12.5	0	0	0	108.2
1126	P	32.9	Very low	30.4	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	69%	0.685	S	S	*	*				-157.2	-179	75.7	42.8	-22.8	0	0	0	117
1127	S	25	Very low	30	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	68%	0.684	S	S	*	*			trans	-72.8	161.5	163.1	-54.4	0	0	0	0	113.5
1128	S	25.6	Very low	29.6	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	70%	0.698	S	S	*	*			trans	71.1	110.4	154.9	-54.9	0	0	0	0	119.2
1129	L	27.2	Very low	29	Very low	177 Å²	177	133.5 Å²	133.5	93%	0.927	71%	0.707	S	S	*	*			trans	-149.6	144.5	140	-112.5	172.6	0	0	0	110.7
1130	H	27.3	Very low	28.7	Very low	182 Å²	182	130.9 Å²	130.9	84%	0.843	70%	0.7	S	S	*	*			trans	-104.5	141.8	-179.6	-82.7	-114.9	0	0	0	111.3
1131	S	25.7	Very low	28.5	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	70%	0.701	S	S	*	*			trans	-166.7	138	141.5	51.1	0	0	0	0	112.5
1132	E	29	Very low	28.2	Very low	159 Å²	159	131.5 Å²	131.5	74%	0.743	70%	0.703	S	S	*	*			trans	-81.9	178.4	166.5	-122.7	-164.3	165.3	0	0	110.2
1133	P	33.7	Very low	28.3	Very low	78 Å²	78	131.6 Å²	131.6	51%	0.506	71%	0.708	S	S	.	*			cis	-148.9	-172.5	42.7	40.5	-16.7	0	0	0	118.3	T144	T144-P1133 HydrophobicContact CG2-CG 3.37Å
1134	T	28.7	Very low	28.2	Very low	45 Å²	45	137 Å²	137	28%	0.276	72%	0.716	S	S	.	*			trans	-100.2	-155.2	-177.8	37.1	0	0	0	0	113.1	P145 T146	P145-T1134 WeakPolarHBondContact CB-O 3.4Å; T146-T1134 PolarHBondContact N-O 3.45Å; T146-T1134 VanDerWaalsContact N-O 3.09Å
1135	Y	28.9	Very low	28.1	Very low	170 Å²	170	135.3 Å²	135.3	67%	0.667	71%	0.711	S	S	*	*			trans	94.6	81.6	163.1	-82.7	-78	0	0	0	123.6	T146 D147	T146-Y1135 WeakPolarHBondContact CA-O 3.48Å; T146-Y1135 WeakPolarHBondContact CB-O 3Å; T146-Y1135 PolarHBondContact OG1-O 2.73Å; D147-Y1135 VanDerWaalsContact CG-N 3.32Å; D147-Y1135 WeakPolarHBondContact OD2-CA 3.32Å; D147-Y1135 PolarHBondContact OD2-N 2.83Å
1136	H	29.1	Very low	27.8	Very low	117 Å²	117	135.3 Å²	135.3	54%	0.542	71%	0.711	S	S	.	*			trans	28.9	128.8	136.6	-123.7	-94.6	0	0	0	122	D147	D147-H1136 VanDerWaalsContact CB-N 3.35Å; D147-H1136 IonicContact OD2-CD2 3.79Å; D147-H1136 PolarHBondContact OD2-N 2.63Å
1137	S	26.4	Very low	27.5	Very low	75 Å²	75	140.3 Å²	140.3	52%	0.524	72%	0.716	S	S	.	*				134.4	127.1	104.4	-159.6	0	0	0	0	118.8
1138	S	26.4	Very low	28	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	72%	0.723	S	S	*	*			trans	70.3	162.3	140.4	59.7	0	0	0	0	122.2
1139	Y	26.7	Very low	28.4	Very low	219 Å²	219	143.8 Å²	143.8	86%	0.859	71%	0.714	S	S	*	*			trans	70.2	140.2	178.7	-85.9	-112.7	0	0	0	116.8
1140	V	27.7	Very low	28.4	Very low	99 Å²	99	141.4 Å²	141.4	60%	0.6	70%	0.702	S	S	*	*			cis	-162.6	152.9	-20.5	98.2	0	0	0	0	112.8
1141	Q	27.2	Very low	28.4	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	70%	0.7	S	S	*	*			trans	33.9	105.2	160	-65.6	158.3	-85	0	0	122.9
1142	S	28.1	Very low	28.6	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	69%	0.69	S	S	*	*				30.7	113.6	113	-45.4	0	0	0	0	122.4
1143	K	31.9	Very low	28.5	Very low	200 Å²	200	135.4 Å²	135.4	87%	0.87	67%	0.67	S	S	*	*			trans	-146	116.2	135.2	-64.3	-171.5	-177.9	179	0	106.3
1144	Y	25.5	Very low	28.4	Very low	198 Å²	198	137.1 Å²	137.1	78%	0.776	68%	0.679	S	S	*	*			cis	64	141.1	49.3	-96	-77.8	0	0	0	115.5
1145	Q	27.2	Very low	28.2	Very low	166 Å²	166	144.3 Å²	144.3	78%	0.776	70%	0.702	S	S	*	*			trans	80.9	139.5	-178.4	-53.9	166.3	-36	0	0	115
1146	N	24.8	Very low	28.2	Very low	138 Å²	138	143.3 Å²	143.3	74%	0.738	71%	0.707	S	S	*	*			cis	-162.9	177.1	-18.9	-109.6	-10.5	0	0	0	110.5
1147	Y	26.1	Very low	28.1	Very low	225 Å²	225	143.6 Å²	143.6	88%	0.882	72%	0.717	S	S	*	*			trans	99.8	74.4	172.1	-76.7	-82	0	0	0	120.8
1148	K	34.4	Very low	28.3	Very low	192 Å²	192	144.6 Å²	144.6	84%	0.835	72%	0.722	S	S	*	*				-95.9	180	122.4	-107.9	-169.2	174.8	-170.1	0	108
1149	P	34.6	Very low	28.4	Very low	94 Å²	94	145.5 Å²	145.5	61%	0.61	71%	0.714	S	S	*	*			cis	-115.8	-170.2	-1.2	20.8	5.8	0	0	0	111.2
1150	N	26.5	Very low	28.6	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	70%	0.704	S	S	*	*				-157.1	148.7	64.4	-77.6	4.4	0	0	0	108.9
1151	E	28.4	Very low	28.7	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	71%	0.708	S	S	*	*				61.7	126.7	64.2	-58	175.4	-174.2	0	0	112.1
1152	T	30.6	Very low	28.9	Very low	107 Å²	107	146.5 Å²	146.5	66%	0.656	71%	0.714	S	S	*	*			cis	-124.3	165.9	15.7	57.7	0	0	0	0	112.3	S1193	T1152-S1193 PolarHBondContact O-OG 3.41Å
1153	D	26.6	Very low	29.2	Very low	60 Å²	60	146.9 Å²	146.9	32%	0.321	71%	0.713	S	S	.	*			cis	66.2	147	47.5	-103.8	-21.3	0	0	0	115.1	S1193 R1195 S1196	D1153-S1193 PolarHBondContact N-OG 3.06Å; D1153-R1195 WeakPolarHBondContact OD1-CA 3.04Å; D1153-R1195 PolarHBondContact OD1-N 2.72Å; D1153-S1196 PolarHBondContact OD1-N 2.8Å; D1153-S1196 PolarHBondContact OD2-OG 3.47Å
1154	V	30.4	Very low	29.2	Very low	115 Å²	115	141.5 Å²	141.5	70%	0.697	70%	0.699	S	S	*	*			trans	73.7	118.9	-176.6	-168.7	0	0	0	0	114.3
1155	R	25.3	Very low	29.7	Very low	196 Å²	196	135.9 Å²	135.9	74%	0.74	68%	0.682	S	S	*	*			cis	72	81.1	21.5	-163.9	-160.3	-177.9	-164.3	-0.7	116.9
1156	L	27.7	Very low	30	Very low	148 Å²	148	131 Å²	131	78%	0.775	67%	0.665	S	S	*	*			trans	175.4	143.9	137.7	-97.3	158.8	0	0	0	115.4
1157	T	27.7	Very low	30.4	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	66%	0.662	S	S	*	*			trans	62.5	149.6	151.8	44.4	0	0	0	0	123
1158	P	30.7	Very low	30.6	Very low	97 Å²	97	128 Å²	128	63%	0.63	65%	0.654	S	S	*	*			trans	-90.1	165	171.2	38.5	-35.8	0	0	0	112.9
1159	F	27.8	Very low	30.6	Very low	116 Å²	116	126.5 Å²	126.5	51%	0.509	65%	0.651	S	S	.	*				-178.3	162	125.9	-97	-57.7	0	0	0	113.8	N805 S806	N805-F1159 VanDerWaalsContact O-CZ 3.28Å; N805-F1159 WeakPolarHBondContact O-CZ 3.25Å; S806-F1159 VanDerWaalsContact N-CE2 3.34Å; S806-F1159 WeakPolarHBondContact O-CD2 3.27Å; S806-F1159 WeakPolarHBondContact O-CE2 3.46Å
1160	K	31.1	Very low	30.5	Very low	148 Å²	148	126 Å²	126	64%	0.643	65%	0.654	S	S	*	*			trans	-75.5	142.6	-176.9	-46.5	170.4	176.5	179.4	0	113.1
1161	N	30.8	Very low	30.6	Very low	129 Å²	129	129.2 Å²	129.2	69%	0.69	66%	0.658	S	S	*	*				162.9	145.8	113.1	-85.4	-6.6	0	0	0	115.3
1162	Y	31.1	Very low	30.7	Very low	223 Å²	223	131.6 Å²	131.6	88%	0.875	66%	0.66	S	S	*	*			trans	-68.1	175.3	161.4	-85.2	-87.2	0	0	0	112.1
1163	P	34	Very low	30.9	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	66%	0.661	S	S	*	*			cis	-149.5	-139.7	34.7	46.2	-22.5	0	0	0	113.6
1164	P	32.5	Very low	31.2	Very low	88 Å²	88	136.1 Å²	136.1	57%	0.571	68%	0.682	S	S	*	*			cis	-130.7	-161.2	-26.1	40.7	-21.2	0	0	0	114.5
1165	N	35.5	Very low	31.2	Very low	80 Å²	80	136.3 Å²	136.3	43%	0.428	68%	0.679	S	S	.	*			trans	-146.7	178.4	-166.8	-54.6	-80.6	0	0	0	113.3	P818 G819 A820	P818-N1165 VanDerWaalsContact CB-CA 3.42Å; P818-N1165 HydrophobicContact CB-CB 3.73Å; P818-N1165 WeakPolarHBondContact CB-OD1 3.45Å; P818-N1165 HydrophobicContact CG-CB 4.37Å; G819-N1165 VanDerWaalsContact CA-OD1 3.23Å; G819-N1165 WeakPolarHBondContact CA-OD1 3.3Å; A820-N1165 HydrophobicContact CB-CB 3.55Å; A820-N1165 VanDerWaalsContact CB-CG 3.48Å; A820-N1165 WeakPolarHBondContact CB-ND2 3.05Å
1166	P	33.9	Very low	31.7	Very low	64 Å²	64	131.1 Å²	131.1	42%	0.416	67%	0.671	S	S	.	*			cis	-136.7	-162.3	8.1	36.5	-10.7	0	0	0	116.9	P818 G819	P818-P1166 WeakPolarHBondContact CD-O 3.22Å; P818-P1166 VanDerWaalsContact CG-CA 3.48Å; G819-P1166 WeakPolarHBondContact O-CB 3.35Å
1167	Q	32.8	Very low	32	Very low	144 Å²	144	132.1 Å²	132.1	67%	0.673	67%	0.669	S	S	*	*			trans	77.2	154.9	160.4	-65.6	147.1	-32	0	0	120.8
1168	E	31.2	Very low	32.1	Very low	154 Å²	154	135.5 Å²	135.5	72%	0.72	67%	0.669	S	S	*	*			cis	-164.6	169.6	23.5	-146.6	-179.7	-130.9	0	0	117.3
1169	Q	33.2	Very low	32.1	Very low	162 Å²	162	141 Å²	141	76%	0.757	68%	0.677	S	S	*	*			trans	83.9	92.8	155.3	-56.3	-168.8	24.5	0	0	126.9
1170	A	31.9	Very low	32.4	Very low	82 Å²	82	141.3 Å²	141.3	68%	0.678	69%	0.689	S	S	*	*				93.5	140.2	110.5	0	0	0	0	0	126.8
1171	Y	29.4	Very low	32.4	Very low	197 Å²	197	137.6 Å²	137.6	77%	0.773	69%	0.692	S	S	*	*			trans	68	133.7	158.7	-72.6	-63.6	0	0	0	121.3
1172	W	30.3	Very low	32.5	Very low	218 Å²	218	134.5 Å²	134.5	83%	0.826	68%	0.681	S	S	*	*			cis	-136.1	137.9	-10.2	-71.7	85.4	0	0	0	107.3
1173	Q	35	Very low	32.5	Very low	144 Å²	144	131 Å²	131	67%	0.673	67%	0.667	S	S	*	*				49.9	144.8	76.1	-72.5	-132.3	14.3	0	0	117.4	N1175	Q1173-N1175 PolarHBondContact OE1-ND2 2.9Å
1174	P	32.2	Very low	32.2	Very low	118 Å²	118	129.3 Å²	129.3	77%	0.766	65%	0.649	S	S	*	*			cis	-107.6	147.4	7.1	37.2	-27.7	0	0	0	115
1175	N	32.1	Very low	32	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	66%	0.655	S	S	*	*				83	144.6	52.5	-149	20	0	0	0	111.4	Q1173	Q1173-N1175 PolarHBondContact OE1-ND2 2.9Å
1176	P	34.8	Very low	31.6	Very low	86 Å²	86	136.6 Å²	136.6	56%	0.558	68%	0.675	S	S	*	*			cis	-141.6	159.5	10	39.5	-18.8	0	0	0	120.4
1177	K	34.2	Very low	31.7	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	68%	0.683	S	S	*	*			trans	69.7	134.2	156.4	-59.2	147.6	-178	-177.6	0	118.9
1178	Y	30.3	Very low	31.6	Very low	194 Å²	194	137.3 Å²	137.3	76%	0.761	69%	0.685	S	S	*	*			cis	-161.8	144.6	-17.4	-115.1	-37.2	0	0	0	112.1
1179	R	30.9	Very low	31.5	Very low	211 Å²	211	136.4 Å²	136.4	80%	0.796	69%	0.685	S	S	*	*			trans	29.2	140.5	136.7	-85.5	-174.5	178.9	-159.9	-0.6	121
1180	T	32.1	Very low	31.3	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	68%	0.679	S	S	*	*			cis	-159.7	150.3	-8.1	-6.9	0	0	0	0	106.9
1181	G	32.4	Very low	31.5	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	68%	0.679	S	S	*	*				87.7	122.2	73.9	0	0	0	0	0	110.7
1182	S	32.9	Very low	31.5	Very low	64 Å²	64	132.5 Å²	132.5	45%	0.448	68%	0.68	S	S	.	*			cis	-125.2	167.8	5.8	-77.6	0	0	0	0	111.1	S823 I824	S823-S1182 CarbonylContact O-C 3.53Å; S823-S1182 WeakPolarHBondContact O-CB 3.32Å; I824-S1182 CarbonylContact O-C 3.23Å
1183	Y	29.9	Very low	31.5	Very low	151 Å²	151	125 Å²	125	59%	0.592	66%	0.661	S	S	*	*			cis	97.9	128	11.6	-167.6	-99.3	0	0	0	115.9	S823 I824	S823-Y1183 CarbonylContact C-O 3.52Å; S823-Y1183 WeakPolarHBondContact CA-O 3.15Å; S823-Y1183 PolarHBondContact N-O 3.36Å; I824-Y1183 PolarHBondContact N-O 3.1Å; I824-Y1183 PolarHBondContact O-N 2.79Å
1184	E	28.9	Very low	31.3	Very low	75 Å²	75	122.1 Å²	122.1	35%	0.35	66%	0.655	S	S	.	*			trans	78.8	151.3	179.7	-68.8	170.2	175.3	0	0	119.3	M822 I824	M822-E1184 WeakPolarHBondContact CA-OE2 3.46Å; M822-E1184 VanDerWaalsContact CG-OE2 3.26Å; M822-E1184 WeakPolarHBondContact CG-OE2 3.33Å; I824-E1184 CarbonylContact C-O 3.09Å; I824-E1184 WeakPolarHBondContact CA-O 3.2Å; I824-E1184 PolarHBondContact N-O 2.79Å
1185	Q	28.4	Very low	31.1	Very low	148 Å²	148	126.6 Å²	126.6	69%	0.692	66%	0.657	S	S	*	*			cis	158.5	146.4	-30.9	-91.5	163	39.4	0	0	107.2
1186	M	27.7	Very low	30.9	Very low	173 Å²	173	124.8 Å²	124.8	85%	0.852	65%	0.654	S	S	*	*				85	167.5	57.1	-111.6	-168.3	169.9	0	0	113.1
1187	P	36.1	Very low	30.5	Very low	90 Å²	90	128.6 Å²	128.6	58%	0.584	67%	0.666	S	S	*	*				-129.4	-146.9	-108.6	38.1	-17.5	0	0	0	115.3
1188	N	29.5	Very low	30.3	Very low	134 Å²	134	125.7 Å²	125.7	72%	0.717	66%	0.662	S	S	*	*			trans	103.8	141.5	148.8	-67.6	-25.8	0	0	0	123.7
1189	N	29.8	Very low	30.2	Very low	134 Å²	134	123.7 Å²	123.7	72%	0.717	66%	0.658	S	S	*	*			trans	77.3	100	143.8	-60.7	-5.6	0	0	0	124.9
1190	T	28.9	Very low	30	Very low	100 Å²	100	118.5 Å²	118.5	61%	0.613	65%	0.646	S	S	*	*				12	171.8	103.6	59.7	0	0	0	0	121.5
1191	P	35.1	Very low	29.9	Very low	107 Å²	107	115 Å²	115	70%	0.695	63%	0.629	S	S	*	*			cis	-140.7	-160.1	-27.5	28.1	-2.7	0	0	0	115.5
1192	I	30.6	Very low	29.7	Very low	153 Å²	153	118.5 Å²	118.5	79%	0.785	63%	0.627	S	S	*	*			trans	94	144.6	151.5	-39.2	-172.1	0	0	0	120.5
1193	S	30.7	Very low	29.5	Very low	60 Å²	60	122.8 Å²	122.8	42%	0.42	64%	0.64	S	S	.	*			trans	79.6	140.5	157.4	-129.5	0	0	0	0	119	T1152 D1153	T1152-S1193 PolarHBondContact O-OG 3.41Å; D1153-S1193 PolarHBondContact N-OG 3.06Å
1194	C	29.1	Very low	29.4	Very low	83 Å²	83	121.1 Å²	121.1	56%	0.561	65%	0.647	S	S	*	*			cis	-157.6	179.3	-38.8	-117	0	0	0	0	106.8
1195	R	28.8	Very low	29.6	Very low	213 Å²	213	126.9 Å²	126.9	80%	0.804	67%	0.667	S	S	*	*			trans	-153.8	104	175.9	-172.4	177.2	-177.7	177.8	-0.6	112.9	D1153	D1153-R1195 WeakPolarHBondContact OD1-CA 3.04Å; D1153-R1195 PolarHBondContact OD1-N 2.72Å
1196	S	27.6	Very low	29.6	Very low	82 Å²	82	121.9 Å²	121.9	57%	0.573	65%	0.648	S	S	*	*			trans	-69.3	121.5	163.2	-66.4	0	0	0	0	110.2	D1153	D1153-S1196 PolarHBondContact OD1-N 2.8Å; D1153-S1196 PolarHBondContact OD2-OG 3.47Å
1197	M	27.4	Very low	29.5	Very low	165 Å²	165	122.5 Å²	122.5	81%	0.813	65%	0.646	S	S	*	*				78.2	95.6	81.4	-67.9	-157.2	-160.9	0	0	114.8
1198	V	29.3	Very low	29	Very low	109 Å²	109	125.4 Å²	125.4	66%	0.661	65%	0.652	S	S	*	*				81.4	149.4	87.4	-136.8	0	0	0	0	116
1199	F	28	Very low	28.8	Very low	153 Å²	153	125.3 Å²	125.3	67%	0.671	65%	0.651	S	S	*	*			trans	92.1	147	149.9	-63.8	-44.3	0	0	0	121
1200	N	27.6	Very low	28.7	Very low	101 Å²	101	124 Å²	124	54%	0.54	65%	0.653	S	S	.	*			cis	-169.9	151.4	-28.8	-153.3	4.1	0	0	0	114.5	K552	K552-N1200 VanDerWaalsContact CD-O 3.28Å; K552-N1200 WeakPolarHBondContact CD-O 3.3Å; K552-N1200 WeakPolarHBondContact CE-O 3.28Å; K552-N1200 WeakPolarHBondContact CG-O 3.27Å
1201	A	28.4	Very low	29	Very low	50 Å²	50	127.8 Å²	127.8	41%	0.413	67%	0.666	S	S	.	*			trans	77.9	170.4	142.3	0	0	0	0	0	124.4	K552	K552-A1201 VanDerWaalsContact CD-O 3.29Å; K552-A1201 WeakPolarHBondContact CD-O 3.27Å; K552-A1201 WeakPolarHBondContact CE-O 3.49Å; K552-A1201 PolarHBondContact NZ-O 3.32Å
1202	H	28.8	Very low	28.8	Very low	144 Å²	144	128 Å²	128	67%	0.667	67%	0.667	S	S	*	*			trans	58.4	126.2	178.3	-48	-106.8	0	0	0	118.1	K552	K552-H1202 PolarHBondContact NZ-CD2 2.99Å
1203	E	29.7	Very low	28.6	Very low	154 Å²	154	130.6 Å²	130.6	72%	0.72	67%	0.668	S	S	*	*			cis	66.7	143.1	46.6	-71.1	-125.1	118.9	0	0	113.9
1204	P	27.7	Very low	28.4	Very low	115 Å²	115	132 Å²	132	75%	0.747	68%	0.678	S	S	*	*			cis	-143.7	173.5	38	42.4	-23.4	0	0	0	119.4
1205	Y	32	Very low	28.5	Very low	196 Å²	196	133.9 Å²	133.9	77%	0.769	68%	0.679	S	S	*	*			trans	-64.2	149.1	160.8	-83.7	-96.8	0	0	0	112.1
1206	P	28.8	Very low	28.4	Very low	44 Å²	44	128.5 Å²	128.5	29%	0.286	67%	0.666	S	S	.	*				-140.6	153.4	91	32.1	-14.5	0	0	0	114.2	R1403	P1206-R1403 PolarHBondContact O-NH2 3.36Å
1207	F	25.5	Very low	28.5	Very low	185 Å²	185	127 Å²	127	81%	0.811	66%	0.656	S	S	*	*				84.7	149.5	53.4	-129.3	-85.1	0	0	0	114.6
1208	E	25.2	Very low	28.6	Very low	151 Å²	151	123.8 Å²	123.8	71%	0.706	65%	0.649	S	S	*	*			trans	81.1	144.8	169.1	-64.4	-153.4	169.3	0	0	124
1209	N	26.1	Very low	28.6	Very low	132 Å²	132	126.4 Å²	126.4	71%	0.706	66%	0.656	S	S	*	*			trans	69	136.3	153.8	-59.3	-37.2	0	0	0	120
1210	S	27	Very low	28.7	Very low	108 Å²	108	123.5 Å²	123.5	76%	0.755	66%	0.655	S	S	*	*			cis	-160.4	169.7	-4.8	-113.3	0	0	0	0	113.4
1211	M	35.2	Very low	29	Very low	179 Å²	179	124.7 Å²	124.7	88%	0.882	67%	0.666	S	S	*	*			trans	-72.5	175	177	-64.9	-172.6	168.2	0	0	113.9
1212	P	30.6	Very low	29.1	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	69%	0.686	S	S	*	*				-150.4	150.2	97.4	38.1	-20.8	0	0	0	118.7
1213	Y	26.7	Very low	29.3	Very low	208 Å²	208	131 Å²	131	82%	0.816	69%	0.685	S	S	*	*			trans	57.6	119.8	136.1	-73.3	-121.7	0	0	0	120.1
1214	S	26.1	Very low	29.4	Very low	89 Å²	89	129 Å²	129	62%	0.622	68%	0.683	S	S	*	*				63.6	132.8	81.2	85.9	0	0	0	0	114.7
1215	Q	31.9	Very low	29.7	Very low	123 Å²	123	129.9 Å²	129.9	58%	0.575	68%	0.681	S	S	*	*				-164.1	145.4	77.3	-77.4	176.2	4	0	0	110.8
1216	N	26.4	Very low	29.8	Very low	101 Å²	101	124.4 Å²	124.4	54%	0.54	67%	0.672	S	S	.	*				56	135.2	94.6	-43	-24.7	0	0	0	115.2	N1025	N1025-N1216 PolarHBondContact N-O 3.17Å
1217	S	30	Very low	30	Very low	51 Å²	51	128.4 Å²	128.4	36%	0.357	70%	0.696	S	S	.	*			cis	-150.1	161.4	18.5	-72.6	0	0	0	0	108.5	N1025 T1026	N1025-S1217 WeakPolarHBondContact O-CB 3.03Å; N1025-S1217 PolarHBondContact O-OG 3.28Å; T1026-S1217 WeakPolarHBondContact CA-OG 3.21Å; T1026-S1217 PolarHBondContact N-OG 2.67Å
1218	S	29.1	Very low	30.4	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	70%	0.695	S	S	*	*			cis	74.6	104.6	36	79.8	0	0	0	0	117.8
1219	M	30.4	Very low	30.8	Very low	164 Å²	164	125 Å²	125	81%	0.808	70%	0.699	S	S	*	*			trans	177.6	130.1	149.8	-93.9	-56.2	97.9	0	0	108.2
1220	S	29.6	Very low	31.2	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	69%	0.694	S	S	*	*				69	143.4	80.9	-66.7	0	0	0	0	113.9
1221	T	33.6	Very low	31.4	Very low	126 Å²	126	122.1 Å²	122.1	77%	0.773	69%	0.688	S	S	*	*			cis	-163.4	177	14.2	-6.6	0	0	0	0	108.9
1222	R	30.2	Very low	31.2	Very low	220 Å²	220	118 Å²	118	83%	0.83	67%	0.667	S	S	*	*			cis	-166.1	-174.4	-5.7	-151.4	176.4	177	174.9	-0.7	108.3
1223	V	34	Very low	31.2	Very low	107 Å²	107	117 Å²	117	65%	0.648	66%	0.656	S	S	*	*			trans	73	100.4	148.8	165.3	0	0	0	0	117.9
1224	T	31.4	Very low	31.6	Very low	110 Å²	110	113.3 Å²	113.3	68%	0.675	64%	0.644	S	S	*	*				75.1	161.9	86	88.8	0	0	0	0	114.3
1225	D	34.3	Very low	32.1	Very low	134 Å²	134	110.6 Å²	110.6	72%	0.717	63%	0.625	S	S	*	*			cis	-157.1	172.5	4.9	-101.2	-48.3	0	0	0	107.9
1226	S	34.8	Very low	32	Very low	81 Å²	81	110.2 Å²	110.2	57%	0.566	63%	0.631	S	S	*	*			cis	-179.2	147.2	-35	-97.1	0	0	0	0	112.3
1227	T	32.9	Very low	32.2	Very low	129 Å²	129	109.2 Å²	109.2	79%	0.791	62%	0.623	S	S	*	*			trans	67.7	168.8	153	64.6	0	0	0	0	119.9
1228	L	33.5	Very low	32	Very low	153 Å²	153	111 Å²	111	80%	0.801	63%	0.629	S	S	*	*			cis	-156.9	160.2	2.6	-153.4	74.6	0	0	0	112.8
1229	S	32.5	Very low	31.9	Very low	111 Å²	111	112.3 Å²	112.3	78%	0.776	63%	0.628	S	S	*	*			trans	58.5	144.5	145.6	-160.5	0	0	0	0	122.1
1230	G	34.6	Very low	31.6	Very low	58 Å²	58	113.8 Å²	113.8	60%	0.598	62%	0.624	S	S	*	*			cis	152.2	155.3	-10.2	0	0	0	0	0	115
1231	N	31.7	Very low	31.6	Very low	121 Å²	121	115.9 Å²	115.9	65%	0.647	62%	0.624	S	S	*	*			trans	65.6	149.6	149.9	-73.5	40.3	0	0	0	120.9
1232	E	31.6	Very low	31.2	Very low	93 Å²	93	114.1 Å²	114.1	44%	0.435	62%	0.616	S	S	.	*			cis	-167.9	168.9	-18.5	-122.2	178.7	-141	0	0	112.1	P184	P184-E1232 WeakPolarHBondContact CD-OE2 3.45Å
1233	N	29.4	Very low	31.2	Very low	88 Å²	88	110 Å²	110	47%	0.471	61%	0.611	S	S	.	*			trans	65.5	77.9	147.7	-53.4	-15.8	0	0	0	123.9	P184	P184-N1233 VanDerWaalsContact CD-OD1 3.31Å; P184-N1233 WeakPolarHBondContact CD-OD1 3.29Å; P184-N1233 PolarHBondContact O-OD1 3.23Å
1234	K	36.2	Very low	31.2	Very low	132 Å²	132	112 Å²	112	57%	0.574	61%	0.613	S	S	*	*				25.3	127.1	120.1	-81.2	177.2	170.3	-166.9	0	122.6	F185 S187	F185-K1234 WeakPolarHBondContact O-CD 3.16Å; S187-K1234 WeakPolarHBondContact O-CD 3.44Å; S187-K1234 WeakPolarHBondContact O-CE 3.37Å; S187-K1234 PolarHBondContact O-NZ 2.79Å
1235	S	35.3	Very low	31.2	Very low	32 Å²	32	113.3 Å²	113.3	22%	0.224	62%	0.615	C	S	.	*				83.1	126.2	127.4	-172.5	0	0	0	0	121.4	Q186	Q186-S1235 WeakPolarHBondContact O-CB 3.35Å; Q186-S1235 PolarHBondContact O-OG 3.33Å
1236	T	30.2	Very low	31.1	Very low	115 Å²	115	111.4 Å²	111.4	71%	0.706	61%	0.612	S	S	*	*				-158.6	140.2	116.9	4	0	0	0	0	113.7
1237	H	30.1	Very low	30.7	Very low	79 Å²	79	113.8 Å²	113.8	37%	0.366	62%	0.617	S	S	.	*			trans	56.7	137	146.4	-98.8	-79.1	0	0	0	122.3	N189 K190	N189-H1237 PolarHBondContact ND2-CD2 3.23Å; K190-H1237 VanDerWaalsContact CD-CE1 3.48Å; K190-H1237 WeakPolarHBondContact CD-CE1 3.44Å; K190-H1237 PolarHBondContact NZ-NE2 3.26Å
1238	N	26	Very low	30.6	Very low	90 Å²	90	116.1 Å²	116.1	48%	0.481	62%	0.619	S	S	.	*				101.3	147	124.5	-93.1	-4.8	0	0	0	121.6
1239	L	27.8	Very low	30.2	Very low	124 Å²	124	115.1 Å²	115.1	65%	0.649	62%	0.615	S	S	*	*			trans	66.8	117	159.3	-64	159.3	0	0	0	114.3
1240	R	24.7	Very low	30	Very low	194 Å²	194	116 Å²	116	73%	0.732	62%	0.621	S	S	*	*				69.2	151.3	65.3	-83.7	-154.9	-171.7	179.1	2.5	112.7
1241	H	27.9	Very low	29.5	Very low	137 Å²	137	116.3 Å²	116.3	63%	0.634	62%	0.624	S	S	*	*			trans	71.2	100.8	171.6	-66.7	-59.7	0	0	0	111.5
1242	S	26.6	Very low	29.2	Very low	89 Å²	89	116.2 Å²	116.2	62%	0.622	63%	0.631	S	S	*	*				90.5	175.9	73.6	-75.1	0	0	0	0	107.8
1243	D	30.6	Very low	28.9	Very low	133 Å²	133	119.1 Å²	119.1	71%	0.711	65%	0.649	S	S	*	*			trans	73	135.9	169.6	-61.6	14.6	0	0	0	114.1
1244	Q	33.4	Very low	28.9	Very low	148 Å²	148	121.1 Å²	121.1	69%	0.692	66%	0.664	S	S	*	*			cis	-157.9	144.3	-6.7	-110.1	172.4	58.7	0	0	104.2
1245	L	32	Very low	28.7	Very low	139 Å²	139	119.3 Å²	119.3	73%	0.728	67%	0.667	S	S	*	*			cis	-152	166.4	23.3	-97.2	138.8	0	0	0	111.1
1246	S	32	Very low	28.3	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	69%	0.689	S	S	*	*			trans	53.7	112.4	146.5	-61.5	0	0	0	0	119.5
1247	I	26.3	Very low	28.2	Very low	131 Å²	131	129.3 Å²	129.3	67%	0.672	69%	0.692	S	S	*	*			cis	53.3	108.7	26.3	-33	174.8	0	0	0	109.7
1248	Q	30.3	Very low	28.2	Very low	179 Å²	179	130 Å²	130	84%	0.836	70%	0.701	S	S	*	*				-141.5	142.5	65.5	-73.7	151.8	0.8	0	0	110.4
1249	N	25.6	Very low	28.3	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	71%	0.714	S	S	*	*				64.5	135.5	58.9	-82.9	-13	0	0	0	114.1
1250	S	26.4	Very low	28.6	Very low	130 Å²	130	133.5 Å²	133.5	91%	0.909	71%	0.714	S	S	*	*			trans	58.3	134.2	-175.8	59.8	0	0	0	0	115.7
1251	G	25.3	Very low	29.1	Very low	64 Å²	64	129.5 Å²	129.5	66%	0.66	71%	0.713	S	S	*	*			cis	135.2	159.5	-2.5	0	0	0	0	0	112.1
1252	C	24.6	Very low	29.5	Very low	119 Å²	119	128.5 Å²	128.5	80%	0.804	71%	0.713	S	S	*	*			trans	68.1	143	175.7	-65.6	0	0	0	0	117.5
1253	L	25.3	Very low	29.7	Very low	154 Å²	154	128.8 Å²	128.8	81%	0.806	71%	0.711	S	S	*	*			trans	49.6	80.5	139.1	-59.5	169.8	0	0	0	118.7
1254	T	29.7	Very low	29.8	Very low	129 Å²	129	128.5 Å²	128.5	79%	0.791	71%	0.709	S	S	*	*			trans	64.3	-168.8	154.7	78	0	0	0	0	113.3
1255	P	32.8	Very low	29.6	Very low	95 Å²	95	126.7 Å²	126.7	62%	0.617	70%	0.704	S	S	*	*			cis	-132.3	172.7	-18.1	39.2	-23.4	0	0	0	115.5
1256	K	27.7	Very low	29.5	Very low	161 Å²	161	127.9 Å²	127.9	70%	0.7	70%	0.704	S	S	*	*			trans	69.3	137.3	134.7	-84.7	165.1	177.8	177.5	0	123.5
1257	Y	26.3	Very low	29.4	Very low	195 Å²	195	130.1 Å²	130.1	77%	0.765	71%	0.708	S	S	*	*			trans	67.7	149.9	140.3	-65.2	-45	0	0	0	121
1258	V	29.9	Very low	29.4	Very low	93 Å²	93	128.7 Å²	128.7	56%	0.564	71%	0.709	S	S	*	*			cis	-173.6	170.4	-37.4	110.6	0	0	0	0	111	F1260	V1258-F1260 HydrophobicContact CG2-CD2 4.37Å; V1258-F1260 HydrophobicContact CG2-CE2 4.25Å
1259	N	28.9	Very low	29.4	Very low	138 Å²	138	125.7 Å²	125.7	74%	0.738	70%	0.699	S	S	*	*			trans	108.1	110.2	169.9	-60.6	-48.4	0	0	0	113.1
1260	F	33.3	Very low	29.6	Very low	150 Å²	150	128.9 Å²	128.9	66%	0.658	70%	0.701	S	S	*	*			cis	69.2	150	49.7	-70.9	-87.6	0	0	0	112.6	V1258	V1258-F1260 HydrophobicContact CG2-CD2 4.37Å; V1258-F1260 HydrophobicContact CG2-CE2 4.25Å
1261	P	36.5	Very low	29.9	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	69%	0.69	S	S	*	*			cis	-120.6	178.4	11.5	11.5	15.3	0	0	0	114.1
1262	D	35.2	Very low	30.2	Very low	117 Å²	117	133.3 Å²	133.3	63%	0.626	70%	0.695	S	S	*	*			cis	-156.8	140.9	-6.9	-112.7	-34.6	0	0	0	108.6
1263	T	30.8	Very low	30.7	Very low	95 Å²	95	134.1 Å²	134.1	58%	0.583	69%	0.687	S	S	*	*				48.6	142.3	100.1	65.4	0	0	0	0	116.5
1264	D	33	Very low	31.1	Very low	127 Å²	127	130.4 Å²	130.4	68%	0.679	67%	0.671	S	S	*	*			cis	-150.2	161.6	0.4	-108.2	-25.8	0	0	0	107.4
1265	N	29.6	Very low	31.3	Very low	109 Å²	109	129.4 Å²	129.4	58%	0.583	67%	0.665	S	S	*	*			cis	117	158.8	18.4	-165.6	1.9	0	0	0	111.2
1266	F	31	Very low	31.5	Very low	165 Å²	165	128.4 Å²	128.4	72%	0.724	65%	0.652	S	S	*	*			trans	68.8	123.3	-178.2	-55.6	-80.6	0	0	0	117.2
1267	N	28.9	Very low	31.8	Very low	139 Å²	139	125.6 Å²	125.6	74%	0.743	64%	0.642	S	S	*	*			cis	94.6	150.6	14.7	-158.3	20.5	0	0	0	116.2
1268	C	26.7	Very low	32.4	Very low	102 Å²	102	120.9 Å²	120.9	69%	0.689	64%	0.635	S	S	*	*			trans	75.2	149.6	169.5	-61.4	0	0	0	0	119
1269	D	29.4	Very low	32.6	Very low	116 Å²	116	123.7 Å²	123.7	62%	0.62	65%	0.652	S	S	*	*			cis	-169.1	168.1	-27.3	-156.6	-1.1	0	0	0	111
1270	R	31	Very low	32.7	Very low	199 Å²	199	121.7 Å²	121.7	75%	0.751	65%	0.649	S	S	*	*			trans	67.3	98.5	153.2	-72.6	155.8	-155.4	-103.7	-12.2	125.2
1271	T	32.6	Very low	32.6	Very low	109 Å²	109	123.4 Å²	123.4	67%	0.669	66%	0.656	S	S	*	*				41.9	154	103.6	59.8	0	0	0	0	125.8
1272	F	30.3	Very low	32.6	Very low	177 Å²	177	127.5 Å²	127.5	78%	0.776	66%	0.657	S	S	*	*			trans	97.5	151.2	161.2	-65.9	-85.8	0	0	0	118.5
1273	Q	36	Very low	32.3	Very low	136 Å²	136	132.6 Å²	132.6	64%	0.636	67%	0.668	S	S	*	*			cis	171.1	152.2	-40.7	-110.7	-166.9	-37.8	0	0	110.9	T962	T962-Q1273 PolarHBondContact OG1-O 3.43Å
1274	T	34.4	Very low	32.7	Very low	76 Å²	76	132.3 Å²	132.3	47%	0.466	67%	0.667	S	S	.	*			cis	-163.3	169.7	-10	-16.3	0	0	0	0	111.4
1275	T	34.1	Very low	32.9	Very low	109 Å²	109	130.5 Å²	130.5	67%	0.669	67%	0.67	S	S	*	*			trans	66.4	166	159.9	56	0	0	0	0	118.2
1276	Q	35.1	Very low	33.2	Very low	73 Å²	73	132.9 Å²	132.9	34%	0.341	68%	0.677	S	S	.	*			cis	-143.2	139.4	19.1	-79.5	-167.6	45.6	0	0	112.6	E963 I965	E963-Q1276 PolarHBondContact O-NE2 2.75Å; I965-Q1276 WeakPolarHBondContact O-CB 3.25Å
1277	Q	34.8	Very low	33.4	Very low	103 Å²	103	130.7 Å²	130.7	48%	0.481	67%	0.669	S	S	.	*				99.7	158.9	107.4	-69.2	-81.3	-2.1	0	0	117.9	V966 N967	V966-Q1277 WeakPolarHBondContact O-CB 3.44Å; V966-Q1277 WeakPolarHBondContact O-CG 3.42Å; V966-Q1277 PolarHBondContact O-OE1 3.41Å; N967-Q1277 PolarHBondContact OD1-NE2 2.81Å
1278	P	38	Very low	33.8	Very low	95 Å²	95	131.3 Å²	131.3	62%	0.617	67%	0.668	S	S	*	*			trans	-124.3	-172.6	-159.2	46.7	-38.5	0	0	0	117.4
1279	V	34.3	Very low	34.3	Very low	153 Å²	153	132 Å²	132	93%	0.927	66%	0.661	S	S	*	*			trans	-169.6	176.8	148.1	133	0	0	0	0	112
1280	S	31	Very low	34.5	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	67%	0.666	S	S	*	*			trans	-135.9	165.5	-152.5	-143.2	0	0	0	0	118.7
1281	K	32.5	Very low	34.6	Very low	185 Å²	185	131 Å²	131	80%	0.804	67%	0.665	S	S	*	*			trans	67.2	106.9	152.7	-69.2	161.8	-173.6	175.7	0	123.4
1282	R	35.4	Very low	34.5	Very low	196 Å²	196	135 Å²	135	74%	0.74	67%	0.673	S	S	*	*				42.6	140.7	104.9	-154.2	-170.6	-157.3	-165.9	7.2	121.1
1283	W	30.3	Very low	34.6	Very low	224 Å²	224	132.6 Å²	132.6	85%	0.848	67%	0.668	S	S	*	*				-179	165.1	120.8	-103.3	73.6	0	0	0	112.9
1284	P	39.3	Very low	34.7	Very low	89 Å²	89	131.1 Å²	131.1	58%	0.578	67%	0.67	S	S	*	*			trans	-138.9	-146.3	-149	47.8	-29.9	0	0	0	116.9
1285	A	35.8	Very low	34.6	Very low	90 Å²	90	135.6 Å²	135.6	74%	0.744	69%	0.686	S	S	*	*			trans	94.5	154.9	166.9	0	0	0	0	0	117.6
1286	H	36.7	Very low	34.5	Very low	158 Å²	158	136 Å²	136	73%	0.731	69%	0.693	S	S	*	*			cis	-153.1	158.2	14.5	-158.6	-123.5	0	0	0	114.9
1287	E	35.4	Very low	34.4	Very low	119 Å²	119	136.6 Å²	136.6	56%	0.556	71%	0.71	S	S	*	*			trans	65.2	169.3	160.6	-101.9	177.7	104.5	0	0	120.4	Q1289	E1287-Q1289 PolarHBondContact OE1-NE2 2.99Å
1288	Q	37	Very low	34	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	73%	0.728	S	S	*	*			cis	-131.1	163.8	3.2	-89.2	-140.8	-32.4	0	0	111.4
1289	Q	36	Very low	33.8	Very low	117 Å²	117	138.8 Å²	138.8	55%	0.547	74%	0.735	S	S	.	*			cis	74.4	140.7	49.5	-51	-158.8	68.8	0	0	116.9	E1287	E1287-Q1289 PolarHBondContact OE1-NE2 2.99Å
1290	H	34.4	Very low	33.5	Very low	155 Å²	155	136.9 Å²	136.9	72%	0.718	73%	0.729	S	S	*	*			cis	-170.9	155.4	-29.7	-98.5	-25.8	0	0	0	114.3
1291	L	32.5	Very low	33.5	Very low	139 Å²	139	137.2 Å²	137.2	73%	0.728	73%	0.731	S	S	*	*			trans	67.2	154.9	155.6	-64.3	164	0	0	0	121.3
1292	F	32.1	Very low	33.2	Very low	192 Å²	192	135 Å²	135	84%	0.842	73%	0.728	S	S	*	*			cis	-139.2	167	22.9	-105.1	-81.9	0	0	0	116.1
1293	N	31.9	Very low	33	Very low	127 Å²	127	136 Å²	136	68%	0.679	73%	0.734	S	S	*	*			trans	-149.8	150.5	171.3	179.3	35.7	0	0	0	108
1294	P	36.9	Very low	33.1	Very low	105 Å²	105	130.2 Å²	130.2	68%	0.682	72%	0.723	S	S	*	*				-159.3	165.6	111.2	39.2	-19.1	0	0	0	119.4
1295	H	32.8	Very low	32.9	Very low	170 Å²	170	132.1 Å²	132.1	79%	0.787	74%	0.735	S	S	*	*			trans	0.5	149.7	148.5	-55.3	-84.7	0	0	0	121
1296	S	32.1	Very low	32.6	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	73%	0.732	S	S	*	*			cis	-147.1	-156.5	35.6	52.9	0	0	0	0	111.9
1297	A	32.5	Very low	32.5	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	74%	0.737	S	S	*	*			cis	-156.1	175.5	8	0	0	0	0	0	113.2
1298	C	26.4	Very low	32.3	Very low	125 Å²	125	135.5 Å²	135.5	85%	0.845	74%	0.744	S	S	*	*			trans	-148.8	-171.3	177	-56.7	0	0	0	0	108.9
1299	P	34.4	Very low	32	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	76%	0.756	S	S	*	*			cis	-139.7	-179.4	-4.3	42.3	-22.8	0	0	0	117.7
1300	S	28.4	Very low	31.8	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	76%	0.764	S	S	*	*			trans	-33.2	154.9	164.6	-37.1	0	0	0	0	121.1
1301	S	30.9	Very low	31.6	Very low	103 Å²	103	135.7 Å²	135.7	72%	0.72	77%	0.769	S	S	*	*				-172.8	128.5	119.8	55.8	0	0	0	0	116.3
1302	N	26.9	Very low	31.7	Very low	137 Å²	137	133.8 Å²	133.8	73%	0.733	77%	0.765	S	S	*	*			trans	32.2	133.3	131.8	-46.5	-25	0	0	0	120.1
1303	Y	31.2	Very low	31.7	Very low	219 Å²	219	133.4 Å²	133.4	86%	0.859	77%	0.768	S	S	*	*				-158.8	169.3	70.9	-116.8	-91.7	0	0	0	115.1
1304	T	32.3	Very low	31.6	Very low	101 Å²	101	135.7 Å²	135.7	62%	0.62	77%	0.768	S	S	*	*			trans	-105.5	176.1	175.2	60.8	0	0	0	0	111.8
1305	P	34.7	Very low	31.3	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	77%	0.767	S	S	*	*				-125.9	141.9	108.1	35.6	-32.8	0	0	0	114.5
1306	N	30.3	Very low	31.4	Very low	128 Å²	128	134 Å²	134	68%	0.684	77%	0.77	S	S	*	*			trans	-81.8	154.3	156.1	-82.4	-90.1	0	0	0	109.7
1307	L	33.8	Very low	31.3	Very low	158 Å²	158	139.3 Å²	139.3	83%	0.827	77%	0.772	S	S	*	*			trans	-171.6	82.3	143.4	-100.9	171.8	0	0	0	107.1
1308	Q	31	Very low	31.2	Very low	152 Å²	152	143.4 Å²	143.4	71%	0.71	78%	0.776	S	S	*	*				51.5	100	99.6	-71	-170.5	-45.1	0	0	115.2
1309	M	31.4	Very low	31.5	Very low	195 Å²	195	143.4 Å²	143.4	96%	0.961	78%	0.775	S	S	*	*			trans	-140.4	111.6	147	-103.4	-70.5	156.3	0	0	108
1310	T	31.9	Very low	31.3	Very low	116 Å²	116	142.9 Å²	142.9	71%	0.712	77%	0.774	S	S	*	*			trans	-115.2	125.5	-169.7	49.4	0	0	0	0	112
1311	S	29.1	Very low	31.4	Very low	118 Å²	118	145 Å²	145	83%	0.825	77%	0.774	S	S	*	*			trans	174.3	160.8	147.3	-90.4	0	0	0	0	112.9
1312	P	35.3	Very low	31.3	Very low	98 Å²	98	147.9 Å²	147.9	64%	0.636	78%	0.776	S	S	*	*			cis	-126.5	149	-24.8	35.5	-21.5	0	0	0	112.5	Y1314	P1312-Y1314 HydrophobicContact CG-CE2 4.41Å
1313	M	30.8	Very low	31.2	Very low	185 Å²	185	146 Å²	146	91%	0.911	77%	0.774	S	S	*	*			trans	-73.2	139.2	163.9	-67.6	-164	78.3	0	0	110.6
1314	Y	29.9	Very low	31.2	Very low	174 Å²	174	142.4 Å²	142.4	68%	0.682	77%	0.768	S	S	*	*			trans	-108.3	143.6	159	-92.6	-92.9	0	0	0	109.8	P1312	P1312-Y1314 HydrophobicContact CG-CE2 4.41Å
1315	P	31.9	Very low	30.9	Very low	101 Å²	101	141.8 Å²	141.8	66%	0.656	77%	0.768	S	S	*	*			trans	-87.6	124.1	-157.5	32	-35.1	0	0	0	113.7	R1317	P1315-R1317 PolarHBondContact O-N 2.87Å; P1315-R1317 VanDerWaalsContact O-N 3.14Å
1316	V	34.8	Very low	30.6	Very low	140 Å²	140	145.8 Å²	145.8	85%	0.848	77%	0.766	S	S	*	*			trans	-73.6	97.7	157.6	-179.9	0	0	0	0	107.7	Q1318	V1316-Q1318 PolarHBondContact O-N 2.81Å; V1316-Q1318 VanDerWaalsContact O-N 3.14Å
1317	R	30.2	Very low	30.5	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	76%	0.762	S	S	*	*			trans	-68.8	107.8	172.5	-79.7	-171	171.2	-158.9	-3.5	109.8	P1315 P1319	P1315-R1317 PolarHBondContact O-N 2.87Å; P1315-R1317 VanDerWaalsContact O-N 3.14Å; R1317-P1319 WeakPolarHBondContact O-CD 3.39Å
1318	Q	29.8	Very low	30.3	Very low	171 Å²	171	142.8 Å²	142.8	80%	0.799	75%	0.748	S	S	*	*			trans	-63.8	131.4	161.4	-65.6	172.1	-50.2	0	0	109.7	V1316	V1316-Q1318 PolarHBondContact O-N 2.81Å; V1316-Q1318 VanDerWaalsContact O-N 3.14Å
1319	P	31.5	Very low	30.3	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	75%	0.745	S	S	*	*			trans	-88.7	107.7	156.4	32	-26.5	0	0	0	109	R1317	R1317-P1319 WeakPolarHBondContact O-CD 3.39Å
1320	S	31	Very low	30.3	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	73%	0.726	S	S	*	*			trans	-99.8	87.9	-177.1	55.2	0	0	0	0	112.3
1321	I	31.1	Very low	30.4	Very low	159 Å²	159	137.7 Å²	137.7	82%	0.815	73%	0.729	S	S	*	*			trans	-144.7	114.1	169.2	-51.6	177.4	0	0	0	105.2
1322	H	27.7	Very low	30.7	Very low	164 Å²	164	135.8 Å²	135.8	76%	0.759	72%	0.715	S	S	*	*			cis	84.3	95.3	29.7	-143.2	-61.2	0	0	0	114.9
1323	S	25.7	Very low	30.6	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	72%	0.72	S	S	*	*			trans	64.6	-179	162	49.3	0	0	0	0	118.1
1324	I	31.1	Very low	30.6	Very low	143 Å²	143	133.8 Å²	133.8	73%	0.733	71%	0.711	S	S	*	*			trans	69.8	88.1	-168.5	-45.8	174.3	0	0	0	111.7
1325	S	26.4	Very low	30.5	Very low	88 Å²	88	130.1 Å²	130.1	62%	0.615	71%	0.71	S	S	*	*			cis	69.7	142.1	33.5	104.8	0	0	0	0	114.9
1326	R	28.2	Very low	30.3	Very low	214 Å²	214	132 Å²	132	81%	0.808	71%	0.713	S	S	*	*			trans	71.3	137.9	157.7	-72.4	-168.3	173.3	-172.5	-0	117.2
1327	V	28.4	Very low	30	Very low	98 Å²	98	131.7 Å²	131.7	59%	0.594	71%	0.706	S	S	*	*			cis	-158.7	-179.9	-19.5	-146.6	0	0	0	0	108.1
1328	K	29	Very low	29.9	Very low	124 Å²	124	125.8 Å²	125.8	54%	0.539	70%	0.7	S	S	.	*			trans	78.7	157	150	-84.4	-172.9	178.6	-84.1	0	116.2	E1330	K1328-E1330 WeakPolarHBondContact CG-OE1 3.44Å; K1328-E1330 IonicContact NZ-OE1 2.63Å; K1328-E1330 PolarHBondContact NZ-OE1 3.27Å; K1328-E1330 IonicContact NZ-OE2 2.66Å; K1328-E1330 PolarHBondContact NZ-OE2 3.18Å
1329	S	30.6	Very low	29.8	Very low	92 Å²	92	122 Å²	122	64%	0.643	69%	0.692	S	S	*	*			cis	-126.5	156.1	6	-33.6	0	0	0	0	110.7
1330	E	31.2	Very low	29.7	Very low	122 Å²	122	122.8 Å²	122.8	57%	0.57	69%	0.69	S	S	*	*				42.8	130.8	99.5	-61.9	105.4	-123.8	0	0	114.2	K1328	K1328-E1330 WeakPolarHBondContact CG-OE1 3.44Å; K1328-E1330 IonicContact NZ-OE1 2.63Å; K1328-E1330 PolarHBondContact NZ-OE1 3.27Å; K1328-E1330 IonicContact NZ-OE2 2.66Å; K1328-E1330 PolarHBondContact NZ-OE2 3.18Å
1331	D	34.9	Very low	29.6	Very low	143 Å²	143	127 Å²	127	77%	0.765	69%	0.689	S	S	*	*			cis	-130	145.1	41	-85	-59	0	0	0	113.6
1332	S	34.7	Very low	29.5	Very low	77 Å²	77	126 Å²	126	54%	0.538	68%	0.683	S	S	.	*				74	142.5	56.8	96.9	0	0	0	0	112.6
1333	N	32.8	Very low	29.8	Very low	139 Å²	139	124.9 Å²	124.9	74%	0.743	68%	0.678	S	S	*	*			cis	-128	-171.7	12.8	-67.4	-87.5	0	0	0	109.2
1334	S	32.1	Very low	30	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	67%	0.673	S	S	*	*			cis	-145.1	145.6	9.3	53.9	0	0	0	0	108.8
1335	C	28	Very low	30.2	Very low	96 Å²	96	126.8 Å²	126.8	65%	0.649	68%	0.676	S	S	*	*				60.6	134.6	59.3	-62.5	0	0	0	0	111.8
1336	I	28.2	Very low	30.4	Very low	142 Å²	142	125.7 Å²	125.7	73%	0.728	68%	0.679	S	S	*	*			cis	-158.2	169.5	6.8	-136	165.2	0	0	0	112.6
1337	N	26.9	Very low	30.5	Very low	133 Å²	133	120.7 Å²	120.7	71%	0.711	68%	0.677	S	S	*	*			trans	-15.7	141	154.8	-62.5	-31.8	0	0	0	114.3
1338	S	28	Very low	30.6	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	69%	0.685	S	S	*	*				-179.7	167.5	70.2	-59	0	0	0	0	106.8
1339	S	28.9	Very low	30.7	Very low	90 Å²	90	127.9 Å²	127.9	63%	0.629	70%	0.696	S	S	*	*			cis	-175.5	173.2	44.1	-47.1	0	0	0	0	110.3
1340	N	28.3	Very low	30.7	Very low	143 Å²	143	127.7 Å²	127.7	77%	0.765	70%	0.695	S	S	*	*			trans	72.3	143.8	151.1	-62.6	-36.8	0	0	0	116.3
1341	R	29.8	Very low	30.6	Very low	196 Å²	196	129.2 Å²	129.2	74%	0.74	71%	0.707	S	S	*	*			cis	-156.9	135.9	-0.3	-131.1	-178.8	-178.2	-175.4	-0.3	110.5
1342	M	29.2	Very low	30.6	Very low	139 Å²	139	130.9 Å²	130.9	69%	0.685	71%	0.711	S	S	*	*			trans	62.9	150.2	141.4	-76.1	171.9	152.4	0	0	118.1
1343	Q	34	Very low	30.9	Very low	140 Å²	140	132.1 Å²	132.1	65%	0.654	72%	0.717	S	S	*	*			cis	-155.1	156.2	13.1	-130.9	160.9	54.3	0	0	112.2
1344	N	30.2	Very low	31	Very low	109 Å²	109	130.4 Å²	130.4	58%	0.583	71%	0.713	S	S	*	*			trans	76	123.2	143.8	-72.7	-11.2	0	0	0	123.6
1345	H	34.2	Very low	30.8	Very low	170 Å²	170	130.6 Å²	130.6	79%	0.787	72%	0.715	S	S	*	*			trans	60.1	117.4	149.6	-44.4	-43.6	0	0	0	119
1346	G	30.1	Very low	30.9	Very low	66 Å²	66	130.2 Å²	130.2	68%	0.68	72%	0.718	S	S	*	*			cis	107.5	154.7	-3	0	0	0	0	0	114.9
1347	S	31.5	Very low	30.9	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	71%	0.709	S	S	*	*			trans	81.1	152	-169.7	-39	0	0	0	0	114
1348	Y	30	Very low	30.9	Very low	195 Å²	195	127.4 Å²	127.4	77%	0.765	71%	0.706	S	S	*	*			cis	-170	162.1	-29.3	-96.8	-42.6	0	0	0	106.3
1349	F	31.4	Very low	31	Very low	177 Å²	177	130.9 Å²	130.9	78%	0.776	70%	0.704	S	S	*	*			cis	-122.8	169.6	2.9	-78.7	-67.7	0	0	0	109.1
1350	S	29.9	Very low	31.3	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	69%	0.692	S	S	*	*			cis	69.5	101.4	46.4	-153.5	0	0	0	0	116.3
1351	N	29.8	Very low	31.5	Very low	154 Å²	154	126.3 Å²	126.3	82%	0.824	67%	0.672	S	S	*	*				-172.1	129.9	103.8	-86.1	-16.7	0	0	0	114
1352	Q	35.3	Very low	31.6	Very low	178 Å²	178	121.4 Å²	121.4	83%	0.832	66%	0.661	S	S	*	*			trans	-80.4	-174.2	162.4	-118.6	-172.5	23.3	0	0	109.7
1353	P	41	Very low	31.7	Very low	103 Å²	103	118.4 Å²	118.4	67%	0.669	65%	0.653	S	S	*	*			cis	-128.4	-138	-16.1	29.4	-3.1	0	0	0	108.2
1354	P	35.1	Very low	31.5	Very low	102 Å²	102	117.6 Å²	117.6	66%	0.662	66%	0.658	S	S	*	*			cis	-142.8	179	-12.2	43.2	-23.8	0	0	0	118.5
1355	S	28.1	Very low	31.3	Very low	108 Å²	108	116.6 Å²	116.6	76%	0.755	66%	0.658	S	S	*	*			trans	75.4	110.9	135.5	-78.9	0	0	0	0	124.6
1356	A	28.8	Very low	31	Very low	88 Å²	88	118.8 Å²	118.8	73%	0.727	66%	0.661	S	S	*	*				79.7	159	104.9	0	0	0	0	0	121.3
1357	S	27.7	Very low	30.9	Very low	76 Å²	76	121.8 Å²	121.8	53%	0.531	67%	0.667	S	S	.	*			cis	179.4	-172.4	-25	62.2	0	0	0	0	113.5
1358	Q	28.8	Very low	30.7	Very low	139 Å²	139	124.5 Å²	124.5	65%	0.65	67%	0.667	S	S	*	*			trans	89.5	-168.8	150.8	-78.8	172.5	85.5	0	0	120.2	K667	K667-Q1358 WeakPolarHBondContact CD-O 3.09Å
1359	Y	29	Very low	30.8	Very low	177 Å²	177	121.3 Å²	121.3	69%	0.694	67%	0.673	S	S	*	*			trans	-110.8	153.1	-144.7	-73.8	-105.9	0	0	0	114.8
1360	F	34.7	Very low	30.7	Very low	83 Å²	83	123.9 Å²	123.9	36%	0.364	68%	0.678	S	S	.	*			cis	84.4	60.6	23.9	-162.5	58	0	0	0	119.7	K667 T668 S670	K667-F1360 HydrophobicContact CB-CB 4.12Å; K667-F1360 HydrophobicContact CB-CD1 4.32Å; K667-F1360 HydrophobicContact CB-CG 4.36Å; K667-F1360 HydrophobicContact CD-CB 3.82Å; K667-F1360 HydrophobicContact CD-CD2 4.5Å; K667-F1360 HydrophobicContact CD-CG 4.22Å; K667-F1360 HydrophobicContact CG-CB 3.95Å; K667-F1360 HydrophobicContact CG-CD1 4.22Å; K667-F1360 HydrophobicContact CG-CD2 4.38Å; K667-F1360 HydrophobicContact CG-CG 3.96Å; T668-F1360 WeakPolarHBondContact OG1-CA 3.2Å; T668-F1360 PolarHBondContact OG1-N 3.31Å; S670-F1360 WeakPolarHBondContact OG-CE1 3.43Å
1361	P	34.2	Very low	31	Very low	54 Å²	54	125 Å²	125	35%	0.351	68%	0.683	S	S	.	*			trans	-99.1	-145.3	158.5	-8.3	28	0	0	0	115.1	R669 S670	R669-P1361 CarbonylContact C-O 3.41Å; R669-P1361 VanDerWaalsContact CA-O 3.28Å; R669-P1361 WeakPolarHBondContact CA-O 3.48Å; R669-P1361 WeakPolarHBondContact CG-O 3.15Å; S670-P1361 PolarHBondContact N-O 2.97Å
1362	N	30.8	Very low	31.1	Very low	94 Å²	94	122.8 Å²	122.8	50%	0.503	68%	0.679	S	S	.	*			trans	-126.7	-170.6	-153.1	-47.3	113.5	0	0	0	117.1	R669 S670 I671	R669-N1362 PolarHBondContact NH1-O 3.08Å; S670-N1362 WeakPolarHBondContact O-CA 3.37Å; S670-N1362 PolarHBondContact O-ND2 3.26Å; I671-N1362 HydrophobicContact CG2-CB 3.55Å
1363	S	31	Very low	31.1	Very low	76 Å²	76	122.3 Å²	122.3	53%	0.531	68%	0.677	S	S	.	*			trans	-117	-105.8	-166.1	62.4	0	0	0	0	117.2	I671	I671-S1363 WeakPolarHBondContact CD1-OG 3.37Å
1364	V	29.6	Very low	30.4	Very low	123 Å²	123	125.6 Å²	125.6	75%	0.745	68%	0.681	S	S	*	*			trans	76.3	146.1	176.8	173.5	0	0	0	0	117.1
1365	C	26.3	Very low	30.2	Very low	88 Å²	88	129.9 Å²	129.9	60%	0.595	69%	0.69	S	S	*	*			cis	-173.3	153.5	-26.1	-96.5	0	0	0	0	111.8
1366	Y	27.4	Very low	30.3	Very low	215 Å²	215	130.1 Å²	130.1	84%	0.843	69%	0.691	S	S	*	*			trans	58.1	163.6	144.6	-72.5	-130	0	0	0	118.4
1367	T	28.6	Very low	30.3	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	69%	0.691	S	S	*	*			cis	-149.5	172	14.3	-28.6	0	0	0	0	112
1368	Q	28	Very low	30.5	Very low	166 Å²	166	136.5 Å²	136.5	78%	0.776	71%	0.707	S	S	*	*			trans	-89.2	161	-177.6	-56.9	170.2	-0.1	0	0	115.1
1369	S	30.7	Very low	30.5	Very low	128 Å²	128	133.7 Å²	133.7	90%	0.895	70%	0.703	S	S	*	*			trans	-156.4	148.7	154.5	-80.8	0	0	0	0	112.6
1370	R	30.5	Very low	30.5	Very low	231 Å²	231	133.4 Å²	133.4	87%	0.872	71%	0.708	S	S	*	*			trans	-104.7	-162.3	-161.7	-59.7	172.3	171.2	170.9	-4.6	112.8
1371	P	35.6	Very low	30.3	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	74%	0.736	S	S	*	*				-135.2	179.6	-72.4	40.2	-24.1	0	0	0	114.6
1372	S	33.1	Very low	30.2	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	75%	0.75	S	S	*	*			trans	172.5	137.9	130	44.6	0	0	0	0	117.4
1373	Q	33.6	Very low	30.3	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	76%	0.762	S	S	*	*			trans	46	111.9	147.2	-56.5	176.6	10.5	0	0	123.1
1374	F	27.7	Very low	30.2	Very low	172 Å²	172	145.7 Å²	145.7	75%	0.754	77%	0.77	S	S	*	*				178.4	127.5	103.7	-112.7	-101.5	0	0	0	113
1375	F	29.6	Very low	30.5	Very low	193 Å²	193	148.4 Å²	148.4	85%	0.846	77%	0.774	S	S	*	*			trans	40	144.3	157.1	-73.7	-106.2	0	0	0	125.1
1376	S	31.9	Very low	30.8	Very low	112 Å²	112	149.5 Å²	149.5	78%	0.783	78%	0.783	S	S	*	*			trans	-78.8	174.5	-177.7	-51	0	0	0	0	114.2
1377	P	28	Very low	31	Very low	110 Å²	110	145.8 Å²	145.8	71%	0.714	78%	0.782	S	S	*	*			cis	-141.6	104.1	13	36.9	-13.9	0	0	0	115.6
1378	H	31.2	Very low	31.3	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.875	79%	0.787	S	S	*	*			trans	-131.2	146.2	177.6	-98.7	-78.8	0	0	0	116.9
1379	S	28.4	Very low	31.5	Very low	79 Å²	79	152.2 Å²	152.2	55%	0.552	79%	0.786	S	S	*	*			trans	-83.8	148	-179.6	50.7	0	0	0	0	113.6
1380	Q	29.3	Very low	31.7	Very low	172 Å²	172	153 Å²	153	80%	0.804	78%	0.78	S	S	*	*			trans	-158.9	133.5	155.4	-111.1	159.2	46.3	0	0	111.5	T1382	Q1380-T1382 HydrophobicContact CB-CG2 4.14Å; Q1380-T1382 HydrophobicContact CG-CG2 4.1Å
1381	Y	32	Very low	31.7	Very low	246 Å²	246	149.6 Å²	149.6	97%	0.965	78%	0.776	S	S	*	*			trans	-128.4	134.3	155	-101.9	-101.8	0	0	0	105.1
1382	T	31.9	Very low	31.6	Very low	105 Å²	105	149.9 Å²	149.9	64%	0.644	78%	0.781	S	S	*	*			trans	-126.5	164.7	-153.1	51.6	0	0	0	0	111.1	Q1380	Q1380-T1382 HydrophobicContact CB-CG2 4.14Å; Q1380-T1382 HydrophobicContact CG-CG2 4.1Å
1383	P	31	Very low	31.6	Very low	115 Å²	115	152.9 Å²	152.9	75%	0.747	78%	0.783	S	S	*	*			cis	-112.6	161	40.4	10	15.1	0	0	0	114
1384	S	30.4	Very low	31.5	Very low	99 Å²	99	150.9 Å²	150.9	69%	0.692	78%	0.778	S	S	*	*			cis	87.3	139.7	32.4	94.6	0	0	0	0	114.6
1385	Q	34.4	Very low	31.7	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	77%	0.772	S	S	*	*			cis	-162.6	176.2	21.2	-150.9	176.6	56	0	0	114.4
1386	S	33.6	Very low	31.7	Very low	111 Å²	111	145.5 Å²	145.5	78%	0.776	76%	0.761	S	S	*	*			trans	95.8	141.4	166.7	79.8	0	0	0	0	118.6
1387	V	31.4	Very low	31.6	Very low	136 Å²	136	150.2 Å²	150.2	82%	0.824	76%	0.763	S	S	*	*			trans	-159	156.1	-176.2	-171.8	0	0	0	0	109.1
1388	Y	35.2	Very low	31.7	Very low	228 Å²	228	150.1 Å²	150.1	89%	0.894	76%	0.761	S	S	*	*			trans	-135.4	162.6	162.1	-116.8	-86.6	0	0	0	112.8
1389	R	32.3	Very low	31.7	Very low	203 Å²	203	149.2 Å²	149.2	77%	0.766	76%	0.76	S	S	*	*			trans	-117.8	167.7	-164.8	-52.4	173.1	170.9	171.3	-4.5	114
1390	D	35.2	Very low	31.9	Very low	144 Å²	144	148.5 Å²	148.5	77%	0.77	77%	0.765	S	S	*	*				-174.5	-177.7	98.3	-99.1	-20.2	0	0	0	114.4
1391	M	30.9	Very low	32	Very low	160 Å²	160	145.4 Å²	145.4	79%	0.788	75%	0.754	S	S	*	*			trans	-126.3	149.3	-153.3	-64	158.8	43.5	0	0	115.2
1392	S	33.4	Very low	31.9	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	75%	0.745	S	S	*	*			trans	158.8	163.5	146.2	44.5	0	0	0	0	110.9
1393	Q	32.7	Very low	31.7	Very low	172 Å²	172	145.9 Å²	145.9	80%	0.804	74%	0.743	S	S	*	*			cis	-167	169.4	-47.1	-138.6	170.2	-4	0	0	107
1394	N	31	Very low	31.4	Very low	125 Å²	125	149.3 Å²	149.3	67%	0.668	74%	0.742	S	S	*	*			trans	69.6	151.1	166.5	-76.4	38.8	0	0	0	120.5
1395	E	31.5	Very low	31.3	Very low	137 Å²	137	149.3 Å²	149.3	64%	0.64	74%	0.742	S	S	*	*			cis	-166.2	140.3	-31.9	-118.8	-169.3	144.9	0	0	111.8
1396	N	29.7	Very low	31	Very low	115 Å²	115	146.8 Å²	146.8	62%	0.615	74%	0.739	S	S	*	*			trans	57.7	155.4	144.5	-54.6	-27.1	0	0	0	124.8
1397	Y	29.4	Very low	30.7	Very low	212 Å²	212	146.1 Å²	146.1	83%	0.831	74%	0.735	S	S	*	*			trans	89.9	140.4	161.5	-68.9	-87	0	0	0	121.3
1398	V	30.5	Very low	30.7	Very low	108 Å²	108	147.6 Å²	147.6	66%	0.655	73%	0.732	S	S	*	*				174.1	139.2	-50.2	142	0	0	0	0	112
1399	I	30.8	Very low	30.5	Very low	170 Å²	170	142 Å²	142	87%	0.872	73%	0.727	S	S	*	*			trans	64.2	145.3	164.3	-73.7	161.7	0	0	0	118.1
1400	G	32.7	Very low	30.3	Very low	64 Å²	64	136.7 Å²	136.7	66%	0.66	71%	0.713	S	S	*	*			cis	160.9	167.9	-12.2	0	0	0	0	0	116.5
1401	D	31	Very low	30.1	Very low	107 Å²	107	134.8 Å²	134.8	57%	0.572	71%	0.712	S	S	*	*			trans	70.6	122.8	147.9	-83.1	7.4	0	0	0	127.7
1402	R	29.9	Very low	29.9	Very low	202 Å²	202	133.5 Å²	133.5	76%	0.762	71%	0.713	S	S	*	*			trans	84.6	102.8	130.2	-68.4	177.5	-148.5	-145.1	2.1	125.5
1403	R	27.8	Very low	29.7	Very low	159 Å²	159	135 Å²	135	60%	0.6	71%	0.71	S	S	*	*				21.8	136.2	119.9	-47.6	-179.8	-169.3	175.9	5.7	122.2	P1206	P1206-R1403 PolarHBondContact O-NH2 3.36Å
1404	Y	26.4	Very low	29.6	Very low	186 Å²	186	135.1 Å²	135.1	73%	0.729	71%	0.711	S	S	*	*				135	123.5	124	-80.8	-65.7	0	0	0	119
1405	S	26.6	Very low	29.7	Very low	99 Å²	99	133 Å²	133	69%	0.692	71%	0.711	S	S	*	*			trans	78.3	160.6	132.8	-60.8	0	0	0	0	125.1
1406	T	28.8	Very low	29.6	Very low	127 Å²	127	133.2 Å²	133.2	78%	0.779	72%	0.716	S	S	*	*			trans	69.2	91.9	159.3	47.5	0	0	0	0	122.5
1407	S	28.4	Very low	29.7	Very low	98 Å²	98	133 Å²	133	69%	0.685	71%	0.713	S	S	*	*				30.3	152.5	111.6	62.2	0	0	0	0	124.5
1408	Q	30.9	Very low	29.7	Very low	167 Å²	167	132.7 Å²	132.7	78%	0.78	71%	0.711	S	S	*	*			trans	97.9	159.6	151.8	-80.8	176.8	-40.9	0	0	121.3
1409	S	30.4	Very low	29.8	Very low	110 Å²	110	134 Å²	134	77%	0.769	71%	0.71	S	S	*	*			trans	63.7	93.1	168.7	56.3	0	0	0	0	120.5
1410	N	27.9	Very low	29.8	Very low	91 Å²	91	129.6 Å²	129.6	49%	0.487	69%	0.694	S	S	.	*				17.8	155.8	119.5	-98	7.5	0	0	0	123	A605 S606	A605-N1410 PolarHBondContact O-ND2 2.97Å; A605-N1410 PolarHBondContact O-OD1 3.46Å; A605-N1410 VanDerWaalsContact O-OD1 3.13Å; S606-N1410 PolarHBondContact O-ND2 2.56Å; S606-N1410 VanDerWaalsContact O-ND2 3.09Å; S606-N1410 PolarHBondContact OG-ND2 3.48Å; S606-N1410 PolarHBondContact OG-OD1 3.13Å
1411	S	30.9	Very low	29.7	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	69%	0.694	S	S	*	*			trans	96.4	102	146.8	72.5	0	0	0	0	121.1
1412	T	28.3	Very low	29.8	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	70%	0.703	S	S	*	*				51.8	155.9	117.6	-35.2	0	0	0	0	122
1413	I	29	Very low	30	Very low	147 Å²	147	128.8 Å²	128.8	75%	0.754	71%	0.705	S	S	*	*			trans	77.1	78.9	173.6	-44.7	-176.2	0	0	0	112.9
1414	Q	30.5	Very low	30.2	Very low	176 Å²	176	126 Å²	126	82%	0.822	71%	0.705	S	S	*	*				77.3	121	62.1	-167.7	-172.2	16.7	0	0	113.8
1415	A	31.8	Very low	30.3	Very low	81 Å²	81	125.4 Å²	125.4	67%	0.669	71%	0.713	S	S	*	*			trans	53.6	135.5	160.9	0	0	0	0	0	119
1416	N	29.1	Very low	30.5	Very low	141 Å²	141	123.5 Å²	123.5	75%	0.754	71%	0.71	S	S	*	*				-154.3	147.5	112.6	-111.3	-40.2	0	0	0	114.7
1417	I	32.6	Very low	30.4	Very low	109 Å²	109	124.5 Å²	124.5	56%	0.559	71%	0.71	S	S	*	*			trans	54.5	90.5	146.5	-66.8	157.6	0	0	0	115.2
1418	R	29.5	Very low	30.5	Very low	207 Å²	207	130.8 Å²	130.8	78%	0.781	72%	0.719	S	S	*	*				80.6	167.3	73.1	-76.2	175.4	-169.6	167.1	1.1	112.1
1419	H	33.6	Very low	30.5	Very low	135 Å²	135	126.4 Å²	126.4	63%	0.625	71%	0.707	S	S	*	*			trans	81.5	94.4	166.7	-56.8	-63.8	0	0	0	113.8
1420	S	30.5	Very low	30.5	Very low	78 Å²	78	125.9 Å²	125.9	55%	0.545	70%	0.699	S	S	.	*				61.6	119	64.7	84.4	0	0	0	0	110.6
1421	N	31	Very low	30.5	Very low	124 Å²	124	126.4 Å²	126.4	66%	0.663	70%	0.702	S	S	*	*				-162.1	165.1	71.7	-101.5	-29.9	0	0	0	113.8	G1423	N1421-G1423 PolarHBondContact O-N 2.89Å
1422	M	32.1	Very low	30.4	Very low	154 Å²	154	130 Å²	130	76%	0.759	70%	0.704	S	S	*	*			trans	20.4	90.5	132.9	-38.8	-55.1	176.9	0	0	114	T1424	M1422-T1424 WeakPolarHBondContact CB-OG1 3.12Å
1423	G	33.3	Very low	30.5	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	69%	0.69	S	S	*	*			cis	92.9	-114.7	27.9	0	0	0	0	0	107.7	N1421	N1421-G1423 PolarHBondContact O-N 2.89Å
1424	T	32.2	Very low	30.5	Very low	100 Å²	100	126.1 Å²	126.1	61%	0.613	69%	0.687	S	S	*	*			trans	61.7	90.5	155.2	-47.6	0	0	0	0	117.1	M1422	M1422-T1424 WeakPolarHBondContact CB-OG1 3.12Å
1425	I	28.7	Very low	30.1	Very low	174 Å²	174	123.8 Å²	123.8	89%	0.892	68%	0.675	S	S	*	*			trans	70	145.5	148.2	-55.6	169.7	0	0	0	114.8
1426	G	31.7	Very low	29.8	Very low	60 Å²	60	129.1 Å²	129.1	62%	0.619	68%	0.679	S	S	*	*			trans	164.3	10.7	174.1	0	0	0	0	0	118.1	W1428	G1426-W1428 PolarHBondContact O-N 3.29Å
1427	N	27.2	Very low	29.5	Very low	148 Å²	148	126.3 Å²	126.3	79%	0.791	67%	0.671	S	S	*	*			trans	-58.3	101.3	170.5	-70.9	-0.1	0	0	0	110.4
1428	W	29.3	Very low	29.5	Very low	229 Å²	229	123.8 Å²	123.8	87%	0.867	67%	0.671	S	S	*	*			trans	-117.6	105.9	146.8	-74.7	48	0	0	0	103.9	G1426 V1430	G1426-W1428 PolarHBondContact O-N 3.29Å; W1428-V1430 HydrophobicContact CE3-CG2 3.74Å; W1428-V1430 HydrophobicContact CZ3-CG2 4.25Å
1429	S	31.6	Very low	29.6	Very low	75 Å²	75	120.5 Å²	120.5	52%	0.524	67%	0.669	S	S	.	*			cis	52.5	52.2	18.2	-94.7	0	0	0	0	112.9	D1431	S1429-D1431 WeakPolarHBondContact CA-OD2 3.17Å; S1429-D1431 WeakPolarHBondContact CB-OD2 3.42Å; S1429-D1431 PolarHBondContact OG-OD2 3.44Å
1430	V	29.1	Very low	29.2	Very low	100 Å²	100	122.6 Å²	122.6	61%	0.606	68%	0.679	S	S	*	*			trans	-113.1	98.1	131.3	-179.7	0	0	0	0	102.9	W1428 K1432	W1428-V1430 HydrophobicContact CE3-CG2 3.74Å; W1428-V1430 HydrophobicContact CZ3-CG2 4.25Å; V1430-K1432 VanDerWaalsContact C-N 3.3Å; V1430-K1432 HydrophobicContact CG1-CG 4.31Å
1431	D	29.4	Very low	29.1	Very low	102 Å²	102	125.4 Å²	125.4	55%	0.545	68%	0.684	S	S	.	*			cis	51.4	50	37.4	-68.4	-46.8	0	0	0	111.6	S1429	S1429-D1431 WeakPolarHBondContact CA-OD2 3.17Å; S1429-D1431 WeakPolarHBondContact CB-OD2 3.42Å; S1429-D1431 PolarHBondContact OG-OD2 3.44Å
1432	K	29.1	Very low	29	Very low	181 Å²	181	126.1 Å²	126.1	79%	0.787	69%	0.688	S	S	*	*				-110.2	99.5	118.5	-64.2	-174.1	-179.2	-177.9	0	105.4	V1430	V1430-K1432 VanDerWaalsContact C-N 3.3Å; V1430-K1432 HydrophobicContact CG1-CG 4.31Å
1433	N	28.8	Very low	28.9	Very low	97 Å²	97	124.4 Å²	124.4	52%	0.519	69%	0.686	S	S	.	*				64.4	112.1	99.6	-64.8	11.1	0	0	0	109.5	F1435	N1433-F1435 HydrophobicContact CB-CB 4.28Å
1434	S	28.9	Very low	28.9	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	68%	0.681	S	S	*	*			cis	45.1	-155.2	34.9	94.8	0	0	0	0	110.6
1435	F	22.5	Very low	28.8	Very low	128 Å²	128	129.4 Å²	129.4	56%	0.561	69%	0.688	S	S	*	*			trans	24.7	100.1	176.3	-64.5	-75.3	0	0	0	117.7	N1433	N1433-F1435 HydrophobicContact CB-CB 4.28Å
1436	Y	25	Very low	28.9	Very low	193 Å²	193	125.5 Å²	125.5	76%	0.757	67%	0.674	S	S	*	*			cis	-170.9	176.3	7.9	-128.2	-171.1	0	0	0	109.7
1437	S	24.2	Very low	28.8	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	68%	0.683	S	S	*	*			trans	18.8	135.1	130.8	-32.2	0	0	0	0	118
1438	G	31.7	Very low	29	Very low	56 Å²	56	127 Å²	127	58%	0.577	68%	0.678	S	S	*	*			cis	71.5	117.4	38	0	0	0	0	0	109.4
1439	N	32.1	Very low	29	Very low	137 Å²	137	123.4 Å²	123.4	73%	0.733	67%	0.674	S	S	*	*			trans	58.7	100.6	-164.1	-28.3	-48.2	0	0	0	110.2
1440	Q	25.2	Very low	28.9	Very low	179 Å²	179	125.8 Å²	125.8	84%	0.836	68%	0.681	S	S	*	*				-171.2	151.9	77.2	-93.4	149.4	26.4	0	0	107.5
1441	Q	29	Very low	29	Very low	138 Å²	138	127.7 Å²	127.7	65%	0.645	69%	0.688	S	S	*	*			cis	-176.3	-158.2	-9.6	-157.9	82.5	-8	0	0	101.7
1442	D	27.4	Very low	29.3	Very low	138 Å²	138	126.6 Å²	126.6	74%	0.738	69%	0.688	S	S	*	*			trans	26.1	105.4	142.6	-48	-29.9	0	0	0	116.7
1443	T	31.4	Very low	29.4	Very low	119 Å²	119	124.7 Å²	124.7	73%	0.73	69%	0.687	S	S	*	*				-150	135.2	73.2	33.9	0	0	0	0	115.6
1444	I	33.3	Very low	29.7	Very low	135 Å²	135	125.5 Å²	125.5	69%	0.692	70%	0.695	S	S	*	*			trans	69.8	98.5	137.5	-60.7	167.4	0	0	0	115.2
1445	I	29.3	Very low	29.9	Very low	146 Å²	146	125.8 Å²	125.8	75%	0.749	69%	0.692	S	S	*	*				70.7	128.1	76.2	-66.6	163.1	0	0	0	112.2
1446	P	30.6	Very low	30.4	Very low	92 Å²	92	123.4 Å²	123.4	60%	0.597	70%	0.704	S	S	*	*			cis	-136.5	-135.4	-19.1	38.6	-16.4	0	0	0	111.1
1447	Q	30.6	Very low	30.8	Very low	173 Å²	173	123.6 Å²	123.6	81%	0.808	71%	0.705	S	S	*	*			trans	0.6	129.7	148.4	-56	140.9	21.6	0	0	115.6
1448	G	30.1	Very low	31.2	Very low	68 Å²	68	124 Å²	124	70%	0.701	71%	0.708	S	S	*	*			cis	110.2	168.4	31.8	0	0	0	0	0	110.1
1449	I	29.9	Very low	31.1	Very low	152 Å²	152	126.8 Å²	126.8	78%	0.779	71%	0.713	S	S	*	*			trans	53.4	129.4	173.3	20.4	178	0	0	0	119.7
1450	N	30.3	Very low	31	Very low	125 Å²	125	127.7 Å²	127.7	67%	0.668	71%	0.713	S	S	*	*			trans	78.7	131	138.4	-74.7	-5.9	0	0	0	121.7
1451	N	31.2	Very low	31.2	Very low	140 Å²	140	123.6 Å²	123.6	75%	0.749	71%	0.705	S	S	*	*			trans	77.5	144.6	133.2	-67.8	-0.3	0	0	0	119
1452	S	34.6	Very low	31.2	Very low	79 Å²	79	124 Å²	124	55%	0.552	71%	0.711	S	S	*	*			cis	-176.1	171.2	-14.2	49.3	0	0	0	0	108.5
1453	N	32	Very low	31.4	Very low	142 Å²	142	121.8 Å²	121.8	76%	0.759	71%	0.712	S	S	*	*			trans	71.8	146.2	159.2	-56.7	-22.3	0	0	0	115.3
1454	V	33.7	Very low	31.4	Very low	114 Å²	114	119.8 Å²	119.8	69%	0.691	71%	0.707	S	S	*	*			cis	-149.4	120.8	-8.5	118.7	0	0	0	0	104.3
1455	V	33.8	Very low	31.2	Very low	106 Å²	106	119.9 Å²	119.9	64%	0.642	71%	0.709	S	S	*	*				55.1	101.3	89.2	176.9	0	0	0	0	111.1	Y1457	V1455-Y1457 HydrophobicContact CG1-CD2 3.46Å; V1455-Y1457 VanDerWaalsContact CG1-CD2 3.46Å; V1455-Y1457 HydrophobicContact CG1-CE2 3.44Å; V1455-Y1457 VanDerWaalsContact CG1-CE2 3.44Å
1456	G	33.3	Very low	31.2	Very low	78 Å²	78	119.3 Å²	119.3	80%	0.804	71%	0.706	S	S	*	*			trans	-127.4	-13	-174	0	0	0	0	0	116.9
1457	Y	32.2	Very low	31.3	Very low	196 Å²	196	120.2 Å²	120.2	77%	0.769	71%	0.706	S	S	*	*			trans	35.8	125.8	168.4	-81.3	-63	0	0	0	122	V1455	V1455-Y1457 HydrophobicContact CG1-CD2 3.46Å; V1455-Y1457 VanDerWaalsContact CG1-CD2 3.46Å; V1455-Y1457 HydrophobicContact CG1-CE2 3.44Å; V1455-Y1457 VanDerWaalsContact CG1-CE2 3.44Å
1458	S	32.9	Very low	31.3	Very low	91 Å²	91	118.9 Å²	118.9	64%	0.636	70%	0.7	S	S	*	*			trans	69.9	169.9	142.8	-56.9	0	0	0	0	115.3
1459	T	30.7	Very low	31.4	Very low	114 Å²	114	123.6 Å²	123.6	70%	0.699	70%	0.703	S	S	*	*			cis	-120.4	140.4	7.5	39.1	0	0	0	0	110.1
1460	E	29.4	Very low	31.7	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	69%	0.693	S	S	*	*				55.4	139.3	85.6	-53.8	163.6	-169.6	0	0	113.4
1461	S	29.9	Very low	31.7	Very low	93 Å²	93	121.4 Å²	121.4	65%	0.65	70%	0.698	S	S	*	*			cis	-170.1	-164.6	-11.7	55.8	0	0	0	0	109.7
1462	N	29.2	Very low	31.8	Very low	147 Å²	147	120.3 Å²	120.3	79%	0.786	70%	0.701	S	S	*	*			trans	-15.4	152.1	136.9	-39.9	-44.4	0	0	0	114.9
1463	A	30.7	Very low	31.5	Very low	90 Å²	90	120.8 Å²	120.8	74%	0.744	70%	0.704	S	S	*	*			cis	-160.5	168.5	25.2	0	0	0	0	0	114.3
1464	A	30.7	Very low	31.4	Very low	78 Å²	78	118.6 Å²	118.6	65%	0.645	69%	0.689	S	S	*	*			trans	77.2	132.2	132.8	0	0	0	0	0	120.8
1465	N	29.4	Very low	31.5	Very low	137 Å²	137	122 Å²	122	73%	0.733	70%	0.697	S	S	*	*				87.5	129.9	125.7	-79.9	4.9	0	0	0	121.4
1466	I	30.6	Very low	31.2	Very low	134 Å²	134	124.9 Å²	124.9	69%	0.687	70%	0.701	S	S	*	*				71.8	122.3	126.2	-63.5	174.5	0	0	0	116.4
1467	D	31.3	Very low	31.2	Very low	110 Å²	110	127 Å²	127	59%	0.588	70%	0.698	S	S	*	*			cis	-163.5	167.4	-8.5	-123.6	-31.4	0	0	0	113.3
1468	Q	31.1	Very low	31	Very low	146 Å²	146	120.6 Å²	120.6	68%	0.682	68%	0.681	S	S	*	*			trans	24.4	142.6	140.1	-70.5	160.1	57	0	0	122.6
1469	H	32.7	Very low	31.2	Very low	167 Å²	167	120.7 Å²	120.7	77%	0.773	67%	0.674	S	S	*	*			trans	90.2	150.4	136.7	-89.4	-117.8	0	0	0	119.2
1470	P	35.2	Very low	31.4	Very low	85 Å²	85	119.2 Å²	119.2	55%	0.552	67%	0.667	S	S	*	*				-137.3	-131.6	-126.8	33.5	-7	0	0	0	110.6
1471	D	30.9	Very low	31.5	Very low	145 Å²	145	114.4 Å²	114.4	78%	0.775	64%	0.644	S	S	*	*			trans	34.3	96.8	147.7	-56.1	-12	0	0	0	118.3
1472	S	32.7	Very low	31.5	Very low	118 Å²	118	116.2 Å²	116.2	83%	0.825	65%	0.647	S	S	*	*				-148.8	123.4	127.8	-45.2	0	0	0	0	113.2
1473	C	28.9	Very low	31.7	Very low	89 Å²	89	112.7 Å²	112.7	60%	0.601	63%	0.633	S	S	*	*			trans	-9.8	135.4	144.8	-58.5	0	0	0	0	118.6
1474	Q	31.1	Very low	31.8	Very low	96 Å²	96	113.6 Å²	113.6	45%	0.449	62%	0.622	S	S	.	*				48.4	118.6	124.4	-51.7	177.7	12	0	0	118	L862	L862-Q1474 HydrophobicContact CD1-CB 4.4Å; L862-Q1474 HydrophobicContact CD1-CG 3.82Å
1475	Q	35.3	Very low	31.8	Very low	185 Å²	185	112.7 Å²	112.7	86%	0.864	60%	0.604	S	S	*	*				-152.9	124.4	113.7	-110.9	154.3	31.6	0	0	114.5
1476	F	27.9	Very low	31.9	Very low	166 Å²	166	109.5 Å²	109.5	73%	0.728	59%	0.586	S	S	*	*			trans	12.5	130.6	130.1	-61.4	-100	0	0	0	118.3
1477	V	32.8	Very low	32	Very low	123 Å²	123	104.2 Å²	104.2	75%	0.745	56%	0.561	S	S	*	*				170.8	132.9	96.3	161.1	0	0	0	0	109.1
1478	P	27.2	Very low	32.1	Very low	61 Å²	61	104.9 Å²	104.9	40%	0.396	57%	0.565	S	S	.	*			trans	-87.7	160.2	172.6	35.5	-35.2	0	0	0	114.3	S251 P252	S251-P1478 WeakPolarHBondContact O-CB 3.39Å; S251-P1478 WeakPolarHBondContact O-CG 3.18Å; P252-P1478 VanDerWaalsContact C-CB 3.48Å; P252-P1478 WeakPolarHBondContact O-CB 3.26Å
1479	N	37.2	Very low	32.3	Very low	94 Å²	94	103 Å²	103	50%	0.503	57%	0.568	S	S	.	*			trans	-11.6	123.8	173	175.5	4.6	0	0	0	118.7	M250 Q1481	M250-N1479 WeakPolarHBondContact CG-O 3.14Å; N1479-Q1481 PolarHBondContact OD1-N 2.66Å
1480	P	34.4	Very low	32.4	Very low	83 Å²	83	101.2 Å²	101.2	54%	0.539	57%	0.568	S	S	.	*			trans	-138	120	146.1	37.4	-21.9	0	0	0	119.4	M250	M250-P1480 HydrophobicContact CE-CB 3.47Å; M250-P1480 VanDerWaalsContact CE-CB 3.47Å; M250-P1480 HydrophobicContact CE-CG 4.4Å; M250-P1480 HydrophobicContact CG-CB 3.99Å
1481	Q	32	Very low	32.4	Very low	55 Å²	55	104.3 Å²	104.3	26%	0.257	58%	0.58	S	S	.	*				60.5	120.6	114.4	-50.4	-161.9	-2	0	0	123.5	E248 K249 M250 N1479	E248-Q1481 PolarHBondContact OE2-NE2 2.96Å; E248-Q1481 PolarHBondContact OE2-OE1 2.87Å; E248-Q1481 VanDerWaalsContact OE2-OE1 3.08Å; K249-Q1481 HydrophobicContact CB-CB 4.47Å; K249-Q1481 HydrophobicContact CB-CG 3.64Å; K249-Q1481 PolarHBondContact O-NE2 3.42Å; M250-Q1481 HydrophobicContact CE-CG 4.25Å; M250-Q1481 HydrophobicContact CG-CG 3.85Å; M250-Q1481 VanDerWaalsContact CG-NE2 3.25Å; M250-Q1481 PolarHBondContact SD-NE2 2.87Å; M250-Q1481 VanDerWaalsContact SD-NE2 3.38Å; N1479-Q1481 PolarHBondContact OD1-N 2.66Å
1482	N	30.8	Very low	32.4	Very low	132 Å²	132	105 Å²	105	71%	0.706	58%	0.578	S	S	*	*				160.3	153.7	125.5	-87.1	-22.5	0	0	0	111	K249	K249-N1482 PolarHBondContact NZ-OD1 3.33Å
1483	S	31.9	Very low	32.4	Very low	73 Å²	73	104.6 Å²	104.6	51%	0.51	57%	0.57	S	S	.	*			cis	-166	156.4	-23.6	51.7	0	0	0	0	111
1484	H	33.5	Very low	32.4	Very low	109 Å²	109	106.9 Å²	106.9	51%	0.505	58%	0.577	S	S	.	*			trans	70.2	82.7	152.6	-56	-36.1	0	0	0	123.3	T247	T247-H1484 VanDerWaalsContact CG2-CE1 3.41Å; T247-H1484 WeakPolarHBondContact CG2-CE1 3.41Å; T247-H1484 WeakPolarHBondContact CG2-ND1 3.39Å
1485	F	30.8	Very low	32.4	Very low	58 Å²	58	107.7 Å²	107.7	25%	0.254	59%	0.593	S	S	.	*				98.1	117.8	117.9	-56.7	-40.4	0	0	0	126.2	L244 K245 E246 T247	L244-F1485 HydrophobicContact CD1-CB 3.86Å; L244-F1485 HydrophobicContact CD1-CD2 3.69Å; L244-F1485 HydrophobicContact CD1-CG 4.09Å; L244-F1485 HydrophobicContact CD2-CD2 4.47Å; L244-F1485 HydrophobicContact CG-CB 4.36Å; L244-F1485 HydrophobicContact CG-CD2 3.57Å; L244-F1485 HydrophobicContact CG-CE2 4.15Å; L244-F1485 HydrophobicContact CG-CG 4.11Å; K245-F1485 HydrophobicContact CB-CE1 4.43Å; K245-F1485 HydrophobicContact CB-CE2 4.49Å; K245-F1485 HydrophobicContact CB-CZ 4.21Å; K245-F1485 HydrophobicContact CG-CD2 4.21Å; K245-F1485 HydrophobicContact CG-CE1 4.14Å; K245-F1485 HydrophobicContact CG-CE2 3.47Å; K245-F1485 VanDerWaalsContact CG-CE2 3.47Å; K245-F1485 HydrophobicContact CG-CZ 3.45Å; K245-F1485 VanDerWaalsContact CG-CZ 3.45Å; E246-F1485 VanDerWaalsContact CA-CZ 3.5Å; T247-F1485 HydrophobicContact CG2-CE1 4.29Å; T247-F1485 HydrophobicContact CG2-CZ 4.15Å
1486	I	32.7	Very low	32.2	Very low	70 Å²	70	103.6 Å²	103.6	36%	0.359	59%	0.585	S	S	.	*				49.6	128.9	111.9	-60.2	166.7	0	0	0	118.8	Q242 L243 K245	Q242-I1486 WeakPolarHBondContact CB-O 3.43Å; Q242-I1486 PolarHBondContact OE1-O 3.27Å; L243-I1486 VanDerWaalsContact C-CG2 3.42Å; L243-I1486 WeakPolarHBondContact O-CG2 3.34Å; K245-I1486 VanDerWaalsContact C-CD1 3.5Å; K245-I1486 VanDerWaalsContact N-CD1 3.31Å; K245-I1486 WeakPolarHBondContact O-CD1 3.41Å
1487	S	31.7	Very low	32.4	Very low	24 Å²	24	100.6 Å²	100.6	17%	0.168	58%	0.576	C	S	.	*			cis	-139.9	169.9	21.9	-17.5	0	0	0	0	116.5	Q242 L243	Q242-S1487 WeakPolarHBondContact CA-OG 3.43Å; Q242-S1487 VanDerWaalsContact CG-N 3.29Å; Q242-S1487 WeakPolarHBondContact CG-O 3.4Å; Q242-S1487 PolarHBondContact NE2-O 3.08Å; L243-S1487 PolarHBondContact N-OG 3.38Å
1488	N	33	Very low	32.5	Very low	124 Å²	124	98.7 Å²	98.7	66%	0.663	56%	0.562	S	S	*	*			trans	55.5	96.5	142.7	-57.1	-2.5	0	0	0	121.1
1489	S	34.8	Very low	32.6	Very low	107 Å²	107	100.7 Å²	100.7	75%	0.748	57%	0.569	S	S	*	*				22.1	147.1	108.9	-50	0	0	0	0	122.5
1490	V	35.5	Very low	32.4	Very low	129 Å²	129	100.3 Å²	100.3	78%	0.782	57%	0.571	S	S	*	*			cis	-163.3	140.7	-10.3	128.2	0	0	0	0	108.8
1491	D	35.3	Very low	32.3	Very low	150 Å²	150	102 Å²	102	80%	0.802	59%	0.585	S	S	*	*			trans	-92.7	128.7	171.8	-85.7	-59.4	0	0	0	114
1492	H	31.7	Very low	32.3	Very low	159 Å²	159	104.7 Å²	104.7	74%	0.736	61%	0.61	S	S	*	*				31.8	134.9	102.5	-108.4	-67.3	0	0	0	122.1
1493	V	31.6	Very low	32.3	Very low	109 Å²	109	102.1 Å²	102.1	66%	0.661	62%	0.615	S	S	*	*			trans	61	124.6	151.3	-81.6	0	0	0	0	125.3
1494	N	28.6	Very low	32.3	Very low	137 Å²	137	101.8 Å²	101.8	73%	0.733	61%	0.611	S	S	*	*				81.2	138	129.2	-67.8	-12.4	0	0	0	123.8
1495	S	31	Very low	31.9	Very low	114 Å²	114	102.4 Å²	102.4	80%	0.797	62%	0.617	S	S	*	*			trans	63.9	147	153.4	43.4	0	0	0	0	118.4
1496	S	32.4	Very low	31.7	Very low	99 Å²	99	103.1 Å²	103.1	69%	0.692	63%	0.629	S	S	*	*			cis	-174.2	158.9	-6.1	-95.7	0	0	0	0	108.3
1497	L	32.4	Very low	31.8	Very low	102 Å²	102	111.1 Å²	111.1	53%	0.534	66%	0.664	S	S	.	*			cis	-166.3	173.4	-8.7	-119.8	174.5	0	0	0	110.5	Q1117	Q1117-L1497 PolarHBondContact NE2-O 3.1Å
1498	D	33.6	Very low	31.8	Very low	84 Å²	84	115.5 Å²	115.5	45%	0.449	69%	0.689	S	S	.	*			trans	67.7	126.6	154.1	-74.3	-49.2	0	0	0	123	V1116 Q1117	V1116-D1498 CarbonylContact C-O 2.85Å; V1116-D1498 WeakPolarHBondContact CA-O 3.39Å; Q1117-D1498 WeakPolarHBondContact CA-O 3.32Å; Q1117-D1498 HydrophobicContact CG-CB 4.18Å; Q1117-D1498 WeakPolarHBondContact CG-O 3.48Å; Q1117-D1498 PolarHBondContact N-O 3.36Å
1499	N	29.9	Very low	31.7	Very low	103 Å²	103	115 Å²	115	55%	0.551	69%	0.691	S	S	*	*			trans	38.1	129.5	131.3	-68.6	-65.3	0	0	0	121	Q1117	Q1117-N1499 CarbonylContact C-O 3.55Å; Q1117-N1499 VanDerWaalsContact C-O 3.24Å; Q1117-N1499 WeakPolarHBondContact CA-O 3.45Å; Q1117-N1499 PolarHBondContact N-O 2.87Å
1500	P	32.7	Very low	31.6	Very low	85 Å²	85	115.4 Å²	115.4	55%	0.552	69%	0.687	S	S	*	*				-128.6	147.6	84.8	37.4	-32.5	0	0	0	115.5
1501	S	32.3	Very low	31.3	Very low	119 Å²	119	114.6 Å²	114.6	83%	0.832	68%	0.682	S	S	*	*			trans	-90	107.8	176.6	-173.4	0	0	0	0	111.9
1502	S	33.3	Very low	31.1	Very low	112 Å²	112	112.4 Å²	112.4	78%	0.783	67%	0.674	S	S	*	*			trans	-164.2	127.8	162.7	63.6	0	0	0	0	112.8
1503	G	30.1	Very low	31	Very low	77 Å²	77	109.3 Å²	109.3	79%	0.794	67%	0.67	S	S	*	*			trans	114.1	170.5	162.7	0	0	0	0	0	116.4
1504	P	31.9	Very low	31	Very low	66 Å²	66	109.4 Å²	109.4	43%	0.429	67%	0.671	S	S	.	*			trans	-128.7	-165.1	-154.7	42.3	-25.4	0	0	0	114.2	L280	L280-P1504 HydrophobicContact CD2-CB 3.79Å; L280-P1504 HydrophobicContact CD2-CG 4.47Å; L280-P1504 HydrophobicContact CG-CB 4.4Å
1505	L	25.3	Very low	31.2	Very low	122 Å²	122	107.2 Å²	107.2	64%	0.639	67%	0.666	S	S	*	*			trans	80.9	136.7	-173	-48.5	136.5	0	0	0	111.1	S279	S279-L1505 VanDerWaalsContact CB-CA 3.44Å; S279-L1505 VanDerWaalsContact CB-N 3.28Å
1506	C	26.6	Very low	31.2	Very low	74 Å²	74	106.7 Å²	106.7	50%	0.5	66%	0.655	S	S	.	*			cis	-157.7	176.4	-14.1	-115.9	0	0	0	0	106.7	H277	H277-C1506 VanDerWaalsContact CD2-SG 3.56Å
1507	E	34.1	Very low	31.1	Very low	237 Å²	237	107.4 Å²	107.4	100%	1.107	65%	0.652	S	S	*	*			cis	-93.8	0	22.6	-58.4	-176.1	110.7	0	0	115.4

Retrieved 1,507 of 1,507 residues in 1692.5 ms (Link to these results)

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