A0A5K4ERV6_SCHMA Loading...

Putative calmodulin-binding transcription activator (Camta)

AlphaFold DB , UniProt , Accession A0A5K4ERV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,261 aa.

						>A0A5K4ERV6_SCHMA|A0A5K4ERV6
MKSQSSEFSPDYLPISCNNIYKSTVSAINTTYHGDDNRRNSNNNNNNIIAFNQCSSDIPQPLSNLAIPSVCIARKLIWCNQKEVAELLLGACVHPDWLSSVIQVRPRNGSIIFYRRELATLARRQDGYLWKKKPNRRTTKEVHMVLKVQGIECIIANYAHSALISTFHRRTYSLRFNPSVVLFHYLNVPLLTNENKLCLPLPNLSENDRNELTYAKLVEQLVNMFNNFPKHIMKPGIDQILNFDLNLSNLIQILSDHIWNSSVNPNSPPSSSPSFLSDNPYRNITINSAVKSFSSLQSDINHHHHLPHTTVFLLITPKLNDNYQTNLELVFSNNKSSCRTNPHTQNIRGYQFSDIINNNNNDHIPFIFSSSRPIDEYCQNNQTSKYDNNNNVNSDSNDNNPDSEVEASSTVNQLLFPNDNHNSVESNNLLSDVVINWANDYPYSSSLTMNNFENLDTTKSIQSNADNQNVNDVVNYNHQYVNTVGSPHSNEITTTSTTTTTANNSNNDYYHTNEAVVVVVEDPAGITPTDIGYSDELISLTDLIITSTSTPSPFISTYTDENLGLLSNELITDNNLLGNDFTPITTTTSPLRTASKIINNDCNDCCCITEQHQSNHKFLSKEHFSSELSSSNFNVHTITNNGRYAIQINHVNIDKEEISNNRFDNPISEIDDNLNLETCKNIYSPNHRLPLITNVYEPEKNESFETAQFNCQQNDTACNSFISDGGYSEYSFDQCNNINLLKLKLSNDLLRWIVFIRFSSLAPGIHLSIDIEDEFILLPNHKSRIFSKSFDESNYNNTSITSKYMEDIHSHNVSNSMLKNYLTSNFDEYPKLNIPLRHDQCADKLEMYLILQLIEWMKKTDNISHNNGNGTDQSSVNYLLEAEKEFDEFNIQQLQEQMTSLKIDISLLSCAAALGYSELILGLLQWAVRIYCNQPTSFFTDHCDTTLQSDVDIDLSRILSLLHDLTPNNSTSLTYPILTPLGSAILYEQVVTTKLLVVWDPDALHKPCLYNSLSSCSKLGGEFTPKELALIMKSESMQKCIEQLELQYFSLNTQNYATDTVITKLERLINYTKTFSLPNHIDLTEIDVNSKPSSFPHSLLYTQPNMIKLDYSKQNYSLDVSIDDDDNIPGEESLYHFKSLHNISSTSYHSKNLNKMLKSLPTPATNQFIDNSDNFKYATENNNDSFDTPHQLYEDDIILNSNIQRENICTWRKQTYSRRHHCHHGFLDSTSLYASVTNLMNDDHSQMFCLADRIIEVVSTD
					

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Loading PAE data...

(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	26.7	Very low	27.8	Very low	240 Å²	240	147.3 Å²	147.3	100%	1.182	79%	0.791	S	S	*	*				0	148.1	0	-73	161.5	129.5	0	0	108.2
2	K	30.5	Very low	27.7	Very low	196 Å²	196	154 Å²	154	85%	0.852	80%	0.8	S	S	*	*			trans	29.8	97.2	161.7	-70	-173.1	177	-174.5	0	117.2
3	S	29.7	Very low	27.3	Very low	95 Å²	95	154.2 Å²	154.2	66%	0.664	80%	0.801	S	S	*	*				84.2	135.9	82.9	64.7	0	0	0	0	113
4	Q	30.1	Very low	27.4	Very low	176 Å²	176	151.4 Å²	151.4	82%	0.822	80%	0.797	S	S	*	*			cis	-157.1	170.9	10.1	-132.1	163	-33.2	0	0	112.5
5	S	28	Very low	27.3	Very low	97 Å²	97	151.3 Å²	151.3	68%	0.678	80%	0.795	S	S	*	*			trans	-18.4	153.2	162.5	42	0	0	0	0	119.7
6	S	28.6	Very low	27	Very low	100 Å²	100	148.8 Å²	148.8	70%	0.699	79%	0.794	S	S	*	*			cis	-161.9	167.5	8.9	38.2	0	0	0	0	114.5
7	E	25.1	Very low	27	Very low	161 Å²	161	146 Å²	146	75%	0.752	79%	0.788	S	S	*	*			trans	-31.9	148.4	159.7	-60.8	110.7	152.1	0	0	114.9
8	F	26.7	Very low	26.8	Very low	210 Å²	210	145.8 Å²	145.8	92%	0.921	79%	0.786	S	S	*	*				-128.2	163.3	50	-92.8	-102.3	0	0	0	116.6
9	S	26.7	Very low	26.7	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	79%	0.789	S	S	*	*			trans	-89.1	147.4	-176.1	-169.2	0	0	0	0	113.7
10	P	27.5	Very low	26.7	Very low	99 Å²	99	147.1 Å²	147.1	64%	0.643	79%	0.791	S	S	*	*			trans	-77.6	-164.4	156.2	38	-36.9	0	0	0	111.2
11	D	26.4	Very low	26.6	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	80%	0.797	S	S	*	*			trans	80.4	108.1	171	-57.5	-24.6	0	0	0	118.3
12	Y	26.3	Very low	26.4	Very low	228 Å²	228	148.9 Å²	148.9	89%	0.894	78%	0.78	S	S	*	*			trans	-144.7	84.1	151.6	-107.7	-72.7	0	0	0	110.7
13	L	23.1	Very low	26.3	Very low	156 Å²	156	145.6 Å²	145.6	82%	0.817	78%	0.781	S	S	*	*			trans	-95.2	-172.1	152.4	-67.9	170.6	0	0	0	108.4
14	P	28.5	Very low	26.1	Very low	115 Å²	115	146.7 Å²	146.7	75%	0.747	78%	0.784	S	S	*	*				-108.4	144.4	-96	30.5	-15	0	0	0	112.4	S16	P14-S16 PolarHBondContact O-N 3.24Å
15	I	25.7	Very low	25.9	Very low	151 Å²	151	144.3 Å²	144.3	77%	0.774	78%	0.782	S	S	*	*			trans	-77	89.7	176.3	-57.9	-177.5	0	0	0	110.3	C17	I15-C17 HydrophobicContact CG2-CB 3.8Å; I15-C17 VanDerWaalsContact CG2-SG 3.58Å; I15-C17 PolarHBondContact O-N 3.24Å
16	S	21.8	Very low	25.8	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	79%	0.791	S	S	*	*			trans	-78	100.8	153.8	-179	0	0	0	0	108.6	P14	P14-S16 PolarHBondContact O-N 3.24Å
17	C	27	Very low	25.8	Very low	102 Å²	102	144.6 Å²	144.6	69%	0.689	79%	0.788	S	S	*	*			trans	-130.8	98.6	171.8	-84.5	0	0	0	0	110.9	I15	I15-C17 HydrophobicContact CG2-CB 3.8Å; I15-C17 VanDerWaalsContact CG2-SG 3.58Å; I15-C17 PolarHBondContact O-N 3.24Å
18	N	23.5	Very low	26	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	79%	0.793	S	S	*	*			trans	-57.1	155.8	149.2	-72.1	-46.1	0	0	0	109.4
19	N	24.6	Very low	25.9	Very low	156 Å²	156	141.6 Å²	141.6	83%	0.834	79%	0.785	S	S	*	*			trans	87.8	65	-179.5	-49.2	-41.6	0	0	0	117.5
20	I	26.9	Very low	26	Very low	161 Å²	161	143 Å²	143	83%	0.826	79%	0.79	S	S	*	*			trans	-122.6	64.6	142.5	-49.3	-177.4	0	0	0	109.6
21	Y	24.3	Very low	25.9	Very low	237 Å²	237	144.4 Å²	144.4	93%	0.929	80%	0.796	S	S	*	*			trans	-114.5	62.8	161.1	-104.5	-73.2	0	0	0	108.9
22	K	24.4	Very low	26	Very low	188 Å²	188	148.8 Å²	148.8	82%	0.817	80%	0.804	S	S	*	*			trans	-170.1	95.6	167.7	-109.6	163.8	-174.2	178.3	0	110.5
23	S	26.7	Very low	26	Very low	126 Å²	126	146.8 Å²	146.8	88%	0.881	80%	0.803	S	S	*	*			trans	-125.5	112.1	144.9	-171.1	0	0	0	0	106.1
24	T	26.8	Very low	26.4	Very low	118 Å²	118	143 Å²	143	72%	0.724	80%	0.8	S	S	*	*			trans	-86.3	138.8	-173	40.2	0	0	0	0	111.5	S26	T24-S26 PolarHBondContact O-N 2.93Å
25	V	25.5	Very low	26.3	Very low	127 Å²	127	144.3 Å²	144.3	77%	0.77	80%	0.801	S	S	*	*			trans	-32.6	126.9	164.8	179.6	0	0	0	0	112.8	A27	V25-A27 HydrophobicContact CG1-CB 4.3Å; V25-A27 PolarHBondContact O-N 2.94Å
26	S	26.9	Very low	26.7	Very low	124 Å²	124	144.7 Å²	144.7	87%	0.867	81%	0.805	S	S	*	*			trans	-72.6	78.3	164.9	-61.4	0	0	0	0	110.1	T24 I28	T24-S26 PolarHBondContact O-N 2.93Å; S26-I28 PolarHBondContact O-N 3.45Å
27	A	27.9	Very low	27	Very low	78 Å²	78	145.8 Å²	145.8	65%	0.645	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.6	116.4	176	0	0	0	0	0	110.4	V25	V25-A27 HydrophobicContact CG1-CB 4.3Å; V25-A27 PolarHBondContact O-N 2.94Å
28	I	28.6	Very low	27.2	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-79.4	123.9	162.2	-64.8	176.5	0	0	0	107	S26	S26-I28 PolarHBondContact O-N 3.45Å
29	N	24.4	Very low	27.5	Very low	141 Å²	141	155.5 Å²	155.5	75%	0.754	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-55.6	138	172.4	-63.7	-45.4	0	0	0	109.3
30	T	30.1	Very low	27.6	Very low	134 Å²	134	155.9 Å²	155.9	82%	0.822	82%	0.816	S	S	*	*				-143.6	142.4	79	45.3	0	0	0	0	114.7
31	T	24	Very low	27.5	Very low	127 Å²	127	153.2 Å²	153.2	78%	0.779	81%	0.811	S	S	*	*			trans	-73.3	132.6	166.4	46.7	0	0	0	0	112.6
32	Y	29.9	Very low	27.7	Very low	235 Å²	235	147.1 Å²	147.1	92%	0.922	80%	0.795	S	S	*	*			trans	-144.9	148.5	149.2	-104.7	-78.9	0	0	0	110.2
33	H	25.3	Very low	27.9	Very low	187 Å²	187	146.2 Å²	146.2	87%	0.866	80%	0.799	S	S	*	*			trans	-76.9	152.7	-176.6	-91.7	-97.7	0	0	0	113.2
34	G	31.7	Very low	28.1	Very low	75 Å²	75	147.2 Å²	147.2	77%	0.773	79%	0.794	S	S	*	*			trans	177.4	99.2	167	0	0	0	0	0	111.4
35	D	27	Very low	28.2	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	78%	0.779	S	S	*	*			trans	-73.2	144.5	173.9	-55.4	-85.1	0	0	0	111.4
36	D	34.4	Very low	28.5	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	77%	0.773	S	S	*	*				-167.2	164.7	111.5	-135.7	-31.2	0	0	0	113.7
37	N	27.4	Very low	28.9	Very low	133 Å²	133	144.2 Å²	144.2	71%	0.711	76%	0.76	S	S	*	*			trans	-99.2	138.9	-172.6	-72.2	-97.3	0	0	0	113.6
38	R	31.2	Very low	29.1	Very low	223 Å²	223	145 Å²	145	84%	0.842	75%	0.752	S	S	*	*			trans	-171.8	118	142.3	-102.4	144.4	-160	-140.6	6.3	116.8
39	R	28.7	Very low	29.2	Very low	227 Å²	227	141.7 Å²	141.7	86%	0.857	74%	0.735	S	S	*	*			trans	69.1	125.6	138	-65.3	178.8	175.9	175.9	-2.4	121.9
40	N	27	Very low	29.7	Very low	164 Å²	164	138 Å²	138	88%	0.877	72%	0.724	S	S	*	*			trans	-26.3	136.8	158.8	-47.5	-2.1	0	0	0	117
41	S	25.9	Very low	30.1	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	69%	0.693	S	S	*	*				-172.6	169.6	100.8	-157.9	0	0	0	0	112.5
42	N	28.1	Very low	30.6	Very low	110 Å²	110	132 Å²	132	59%	0.588	68%	0.681	S	S	*	*			trans	72.3	76.9	159.9	-58.2	2.6	0	0	0	119.1	N44	N42-N44 PolarHBondContact O-N 3.01Å
43	N	27.9	Very low	31.1	Very low	169 Å²	169	128.5 Å²	128.5	90%	0.904	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	78	150	-86.7	-6.5	0	0	0	110.3
44	N	31.4	Very low	31.8	Very low	147 Å²	147	120.1 Å²	120.1	79%	0.786	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.9	1.5	166.9	-106.6	-9.5	0	0	0	113.3	N42	N42-N44 PolarHBondContact O-N 3.01Å
45	N	29.4	Very low	32.3	Very low	73 Å²	73	118.9 Å²	118.9	39%	0.39	62%	0.615	S	S	.	*			trans	-92.5	-3.4	-164.8	-66.7	-4.1	0	0	0	115.1	N47 I48 I49	N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 3.47Å; N45-I48 WeakPolarHBondContact O-CB 3.46Å; N45-I48 PolarHBondContact O-N 2.93Å; N45-I49 HydrophobicContact CB-CD1 4.41Å; N45-I49 WeakPolarHBondContact O-CG1 3.44Å; N45-I49 PolarHBondContact O-N 3.42Å
46	N	31.6	Very low	33.3	Very low	122 Å²	122	116.3 Å²	116.3	65%	0.652	61%	0.608	S	S	*	*	H	α-helix	trans	-61.8	-36.2	-170.5	-68.5	2.8	0	0	0	113.2	I48 I49 A50	N46-I48 VanDerWaalsContact C-N 3.34Å; N46-I49 PolarHBondContact O-N 3.26Å; N46-A50 PolarHBondContact O-N 3.5Å
47	N	34.3	Very low	34.2	Very low	111 Å²	111	114 Å²	114	59%	0.594	60%	0.595	S	S	*	*	H	α-helix	trans	-71.5	-30	176.5	-64	19	0	0	0	112	N45 F51	N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 3.47Å; N47-F51 PolarHBondContact O-N 3.03Å
48	I	32.3	Very low	35.9	Very low	95 Å²	95	108.9 Å²	108.9	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-73.2	-36.8	177.3	-59.6	173.7	0	0	0	110.5	N45 N46 F51 N52	N45-I48 WeakPolarHBondContact O-CB 3.46Å; N45-I48 PolarHBondContact O-N 2.93Å; N46-I48 VanDerWaalsContact C-N 3.34Å; I48-F51 PolarHBondContact O-N 3.34Å; I48-N52 WeakPolarHBondContact O-CB 3.46Å; I48-N52 VanDerWaalsContact O-CG 3.27Å; I48-N52 PolarHBondContact O-N 3.22Å
49	I	32.1	Very low	37.4	Very low	96 Å²	96	99.6 Å²	99.6	49%	0.492	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-40.5	178.9	-65.6	164.7	0	0	0	111.3	N45 N46 F51 N52 Q53	N45-I49 HydrophobicContact CB-CD1 4.41Å; N45-I49 WeakPolarHBondContact O-CG1 3.44Å; N45-I49 PolarHBondContact O-N 3.42Å; N46-I49 PolarHBondContact O-N 3.26Å; I49-F51 VanDerWaalsContact C-N 3.35Å; I49-N52 PolarHBondContact O-N 3.43Å; I49-Q53 PolarHBondContact O-N 3.35Å
50	A	34.6	Very low	39	Very low	63 Å²	63	96 Å²	96	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-42	173.7	0	0	0	0	0	111.8	N46 Q53	N46-A50 PolarHBondContact O-N 3.5Å; A50-Q53 PolarHBondContact O-N 3.34Å
51	F	37.3	Very low	40.7	Very low	39 Å²	39	89.6 Å²	89.6	17%	0.171	50%	0.497	C	S	.	.	H	α-helix	trans	-67.6	-38.9	176.2	-143.8	-108.4	0	0	0	112.1	N47 I48 I49 Q53 C54 S55 I67 L89 C92 V93	N47-F51 PolarHBondContact O-N 3.03Å; I48-F51 PolarHBondContact O-N 3.34Å; I49-F51 VanDerWaalsContact C-N 3.35Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.29Å; F51-C54 CarbonylContact O-C 3.59Å; F51-C54 WeakPolarHBondContact O-CA 3.3Å; F51-C54 VanDerWaalsContact O-CB 3.28Å; F51-C54 WeakPolarHBondContact O-CB 3.11Å; F51-C54 PolarHBondContact O-N 2.86Å; F51-S55 PolarHBondContact O-N 3.29Å; F51-S55 PolarHBondContact O-OG 3.28Å; F51-I67 HydrophobicContact CE1-CD1 3.79Å; F51-I67 HydrophobicContact CE2-CD1 4.11Å; F51-I67 HydrophobicContact CZ-CD1 3.5Å; F51-I67 VanDerWaalsContact CZ-CD1 3.5Å; F51-L89 HydrophobicContact CZ-CD2 4.13Å; F51-C92 HydrophobicContact CE2-CB 4.46Å; F51-V93 HydrophobicContact CD2-CG2 3.45Å; F51-V93 VanDerWaalsContact CD2-CG2 3.45Å; F51-V93 HydrophobicContact CE2-CG2 3.43Å; F51-V93 VanDerWaalsContact CE2-CG2 3.43Å; F51-V93 HydrophobicContact CG-CG2 4.4Å; F51-V93 HydrophobicContact CZ-CG2 4.36Å
52	N	35.4	Very low	42.7	Very low	98 Å²	98	84.9 Å²	84.9	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-23.9	179.5	-76.4	-12.1	0	0	0	114.6	I48 I49 C54	I48-N52 WeakPolarHBondContact O-CB 3.46Å; I48-N52 VanDerWaalsContact O-CG 3.27Å; I48-N52 PolarHBondContact O-N 3.22Å; I49-N52 PolarHBondContact O-N 3.43Å; N52-C54 VanDerWaalsContact C-N 3.28Å
53	Q	40.3	Very low	44.9	Very low	161 Å²	161	83 Å²	83	75%	0.752	46%	0.459	S	S	*	.	H	α-helix	trans	-79.5	-9.3	169.4	-70.6	-172.7	-19.1	0	0	113.5	I49 A50 F51	I49-Q53 PolarHBondContact O-N 3.35Å; A50-Q53 PolarHBondContact O-N 3.34Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.29Å
54	C	39.2	Very low	47.2	Very low	11 Å²	11	81 Å²	81	7%	0.074	45%	0.448	C	S	.	.	H	α-helix	trans	-100.2	-32.1	170.5	-167.1	0	0	0	0	111.7	F51 N52 S56 D57 I58 N177	F51-C54 CarbonylContact O-C 3.59Å; F51-C54 WeakPolarHBondContact O-CA 3.3Å; F51-C54 VanDerWaalsContact O-CB 3.28Å; F51-C54 WeakPolarHBondContact O-CB 3.11Å; F51-C54 PolarHBondContact O-N 2.86Å; N52-C54 VanDerWaalsContact C-N 3.28Å; C54-S56 VanDerWaalsContact C-N 3.27Å; C54-S56 PolarHBondContact O-N 3.45Å; C54-D57 PolarHBondContact O-N 2.81Å; C54-I58 HydrophobicContact CB-CD1 4.44Å; C54-I58 WeakPolarHBondContact O-CG1 3.37Å; C54-N177 PolarHBondContact SG-ND2 3.34Å
55	S	42.8	Very low	49.6	Very low	49 Å²	49	74.6 Å²	74.6	34%	0.343	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-20.8	-175.6	-60.4	0	0	0	0	115	F51 D57	F51-S55 PolarHBondContact O-N 3.29Å; F51-S55 PolarHBondContact O-OG 3.28Å; S55-D57 PolarHBondContact O-N 3.03Å
56	S	47.4	Very low	52.2	Low	89 Å²	89	74.3 Å²	74.3	62%	0.622	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.1	179.1	43.5	0	0	0	0	113.3	C54	C54-S56 VanDerWaalsContact C-N 3.27Å; C54-S56 PolarHBondContact O-N 3.45Å
57	D	53.3	Low	54.9	Low	109 Å²	109	72 Å²	72	58%	0.583	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	13.3	-169.7	-55.4	-81.3	0	0	0	112.4	C54 S55 P59 F176	C54-D57 PolarHBondContact O-N 2.81Å; S55-D57 PolarHBondContact O-N 3.03Å; D57-P59 WeakPolarHBondContact O-CD 3.43Å; D57-F176 WeakPolarHBondContact O-CB 3.47Å
58	I	63.3	Low	57.4	Low	26 Å²	26	68.5 Å²	68.5	13%	0.133	39%	0.391	C	S	.	.	S	Bend	trans	-93.3	118	175.6	-73.2	174	0	0	0	109.3	C54 L62 L89	C54-I58 HydrophobicContact CB-CD1 4.44Å; C54-I58 WeakPolarHBondContact O-CG1 3.37Å; I58-L62 HydrophobicContact CG2-CB 3.57Å; I58-L62 HydrophobicContact CG2-CD1 4.34Å; I58-L89 HydrophobicContact CD1-CD2 3.93Å
59	P	63.3	Low	59.8	Low	28 Å²	28	68.6 Å²	68.6	18%	0.182	40%	0.4	C	S	.	.			trans	-54.4	140.1	173	-29.5	34.9	0	0	0	113.9	D57 P61 L62 I151 F176	D57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-P61 VanDerWaalsContact C-N 3.32Å; P59-P61 VanDerWaalsContact O-N 3.08Å; P59-L62 WeakPolarHBondContact O-CB 3.28Å; P59-L62 PolarHBondContact O-N 2.84Å; P59-I151 HydrophobicContact CB-CD1 3.84Å; P59-I151 HydrophobicContact CB-CG2 4.3Å; P59-I151 HydrophobicContact CG-CG2 4.25Å; P59-F176 HydrophobicContact CG-CD2 3.95Å; P59-F176 HydrophobicContact CG-CE2 3.55Å; P59-F176 HydrophobicContact CG-CZ 3.9Å
60	Q	62.6	Low	62.5	Low	153 Å²	153	69 Å²	69	72%	0.715	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-36.3	-176.9	-71.8	-98.6	-62.7	0	0	116.4	L62 S63	Q60-L62 VanDerWaalsContact C-N 3.28Å; Q60-L62 PolarHBondContact O-N 2.96Å; Q60-S63 PolarHBondContact O-N 3.36Å; Q60-S63 PolarHBondContact O-OG 2.98Å
61	P	61.2	Low	65	Low	29 Å²	29	68 Å²	68	19%	0.188	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.7	174.8	-27	39.1	0	0	0	114.1	P59 Q149 I151	P59-P61 VanDerWaalsContact C-N 3.32Å; P59-P61 VanDerWaalsContact O-N 3.08Å; P61-Q149 HydrophobicContact CB-CB 3.95Å; P61-Q149 PolarHBondContact O-OE1 3.16Å; P61-I151 HydrophobicContact CG-CD1 3.59Å; P61-I151 HydrophobicContact CG-CG1 4.21Å
62	L	69.5	Low	67.5	Low	5 Å²	5	69.4 Å²	69.4	3%	0.026	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-79.7	-28.7	179.4	-62	177.8	0	0	0	112.8	I58 P59 Q60 N64 L65 A85 V148 C153	I58-L62 HydrophobicContact CG2-CB 3.57Å; I58-L62 HydrophobicContact CG2-CD1 4.34Å; P59-L62 WeakPolarHBondContact O-CB 3.28Å; P59-L62 PolarHBondContact O-N 2.84Å; Q60-L62 VanDerWaalsContact C-N 3.28Å; Q60-L62 PolarHBondContact O-N 2.96Å; L62-N64 PolarHBondContact O-N 3.26Å; L62-L65 HydrophobicContact CB-CD1 4.45Å; L62-L65 HydrophobicContact CD2-CD1 3.62Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.19Å; L62-A85 HydrophobicContact CD2-CB 4.3Å; L62-V148 HydrophobicContact CD2-CB 4.33Å; L62-V148 HydrophobicContact CD2-CG1 4.33Å; L62-C153 HydrophobicContact CD1-CB 3.73Å; L62-C153 HydrophobicContact CD2-CB 4.28Å; L62-C153 HydrophobicContact CG-CB 4.45Å
63	S	72.7	Confident	70.2	Confident	70 Å²	70	67.8 Å²	67.8	49%	0.49	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-68.5	-12.3	174.5	53	0	0	0	0	113.4	Q60	Q60-S63 PolarHBondContact O-N 3.36Å; Q60-S63 PolarHBondContact O-OG 2.98Å
64	N	77.2	Confident	72.7	Confident	127 Å²	127	64.3 Å²	64.3	68%	0.679	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-96.5	3.4	177.2	-61.6	-11.3	0	0	0	113.1	L62	L62-N64 PolarHBondContact O-N 3.26Å
65	L	82.7	Confident	75.2	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.068	39%	0.389	C	S	.	.	S	Bend	trans	-79.3	147.6	177.6	-68.8	179.7	0	0	0	111.8	L62 I67 K82 A85 E86 L89 V148	L62-L65 HydrophobicContact CB-CD1 4.45Å; L62-L65 HydrophobicContact CD2-CD1 3.62Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.19Å; L65-I67 PolarHBondContact O-N 3.27Å; L65-K82 HydrophobicContact CD2-CD 4.36Å; L65-K82 HydrophobicContact CD2-CG 3.81Å; L65-A85 HydrophobicContact CD1-CB 3.6Å; L65-E86 HydrophobicContact CB-CG 3.77Å; L65-E86 HydrophobicContact CD1-CG 4.28Å; L65-E86 HydrophobicContact CD2-CG 4.31Å; L65-E86 HydrophobicContact CG-CG 4.35Å; L65-L89 HydrophobicContact CB-CD1 4.29Å; L65-L89 HydrophobicContact CD1-CD1 4.09Å; L65-V148 HydrophobicContact CD1-CG1 4.45Å
66	A	83.6	Confident	77.5	Confident	67 Å²	67	66.9 Å²	66.9	55%	0.554	39%	0.392	S	S	*	.			trans	-81.2	103.5	-179.2	0	0	0	0	0	109.6	P68 E86	A66-P68 VanDerWaalsContact O-CD 3.28Å; A66-P68 WeakPolarHBondContact O-CD 3.42Å; A66-E86 PolarHBondContact N-OE1 2.8Å; A66-E86 WeakPolarHBondContact O-CG 3.43Å
67	I	87.7	Confident	79.6	Confident	74 Å²	74	68 Å²	68	38%	0.379	39%	0.39	S	S	.	.			trans	-64.6	116.9	177.4	-54.8	178.6	0	0	0	108.8	F51 L65 V93	F51-I67 HydrophobicContact CE1-CD1 3.79Å; F51-I67 HydrophobicContact CE2-CD1 4.11Å; F51-I67 HydrophobicContact CZ-CD1 3.5Å; F51-I67 VanDerWaalsContact CZ-CD1 3.5Å; L65-I67 PolarHBondContact O-N 3.27Å; I67-V93 HydrophobicContact CD1-CG2 4.3Å; I67-V93 HydrophobicContact CG2-CG2 4.04Å
68	P	86.4	Confident	81.5	Confident	36 Å²	36	65.5 Å²	65.5	23%	0.234	37%	0.372	C	S	.	.			trans	-74.3	139.4	-179.2	27.9	-28.6	0	0	0	110.4	A66 E86 L87 W97	A66-P68 VanDerWaalsContact O-CD 3.28Å; A66-P68 WeakPolarHBondContact O-CD 3.42Å; P68-E86 WeakPolarHBondContact CD-O 3.04Å; P68-E86 WeakPolarHBondContact CG-O 3.44Å; P68-L87 HydrophobicContact CG-CD2 4.3Å; P68-W97 HydrophobicContact CB-CH2 4.37Å; P68-W97 HydrophobicContact CG-CH2 4.06Å; P68-W97 HydrophobicContact CG-CZ3 4.43Å; P68-W97 VanDerWaalsContact O-CH2 3.23Å; P68-W97 WeakPolarHBondContact O-CH2 3.41Å
69	S	83.6	Confident	83	Confident	97 Å²	97	64.7 Å²	64.7	68%	0.678	37%	0.369	S	S	*	.	S	Bend	trans	-93.3	-2.5	179.8	54.8	0	0	0	0	114.2
70	V	88.3	Confident	84.4	Confident	105 Å²	105	65.5 Å²	65.5	64%	0.636	37%	0.372	S	S	*	.	S	Bend	trans	-130.3	129.5	-176.3	-178.8	0	0	0	0	110.2	I72 W97	V70-I72 PolarHBondContact O-N 2.71Å; V70-W97 VanDerWaalsContact C-CZ2 3.42Å
71	C	87.2	Confident	86	Confident	43 Å²	43	62.7 Å²	62.7	29%	0.291	36%	0.359	S	S	.	.			trans	-72.2	118.4	177.3	-174.4	0	0	0	0	111.5	A73 W97	C71-A73 PolarHBondContact O-N 3.35Å; C71-A73 VanDerWaalsContact O-N 3.15Å; C71-W97 HydrophobicContact CB-CD2 3.57Å; C71-W97 HydrophobicContact CB-CE3 4.12Å; C71-W97 HydrophobicContact CB-CG 3.71Å; C71-W97 HydrophobicContact CB-CZ2 4.24Å
72	I	90	Very high	87.5	Confident	68 Å²	68	65 Å²	65	35%	0.349	37%	0.365	S	S	.	.			trans	-81	91.3	169.1	-55	178.7	0	0	0	108.4	V70 R74 K75 L87 I111	V70-I72 PolarHBondContact O-N 2.71Å; I72-R74 VanDerWaalsContact C-N 3.31Å; I72-R74 PolarHBondContact O-N 3.23Å; I72-K75 HydrophobicContact CG2-CB 4.32Å; I72-L87 HydrophobicContact CB-CD2 4.37Å; I72-L87 HydrophobicContact CD1-CD2 4.31Å; I72-L87 HydrophobicContact CG1-CD2 4.29Å; I72-I111 HydrophobicContact CG2-CD1 4.27Å; I72-I111 VanDerWaalsContact O-CB 3.32Å; I72-I111 WeakPolarHBondContact O-CB 3.23Å; I72-I111 WeakPolarHBondContact O-CG2 3.24Å
73	A	91.3	Very high	88.7	Confident	64 Å²	64	66.8 Å²	66.8	53%	0.529	37%	0.374	S	S	.	.			trans	-74.8	-15	-179.4	0	0	0	0	0	114.4	C71 I111	C71-A73 PolarHBondContact O-N 3.35Å; C71-A73 VanDerWaalsContact O-N 3.15Å; A73-I111 PolarHBondContact O-N 2.83Å
74	R	92.5	Very high	89.8	Confident	87 Å²	87	63.5 Å²	63.5	33%	0.328	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-150.4	132.9	178.1	-158.1	-179.7	-172.9	175.6	2.1	111.8	I72 N108 G109 N226 N227	I72-R74 VanDerWaalsContact C-N 3.31Å; I72-R74 PolarHBondContact O-N 3.23Å; R74-N108 VanDerWaalsContact CZ-O 3.27Å; R74-N108 PolarHBondContact NE-O 3.31Å; R74-N108 PolarHBondContact NH2-O 3.18Å; R74-G109 CarbonylContact C-O 3.55Å; R74-G109 VanDerWaalsContact CA-O 3.23Å; R74-G109 WeakPolarHBondContact CA-O 3.23Å; R74-G109 VanDerWaalsContact CG-O 3.3Å; R74-G109 WeakPolarHBondContact CG-O 3.47Å; R74-N226 PolarHBondContact NH1-OD1 2.97Å; R74-N226 PolarHBondContact NH2-O 2.94Å; R74-N226 PolarHBondContact NH2-OD1 2.89Å; R74-N227 PolarHBondContact NH1-ND2 3.14Å
75	K	92.7	Very high	90.6	Very high	35 Å²	35	57.5 Å²	57.5	15%	0.152	32%	0.319	C	S	.	.			trans	-143.6	125.3	173	-158.2	-174.9	-165.5	-169.1	0	110.1	I72 I77 C79 E83 G109 I111 H184	I72-K75 HydrophobicContact CG2-CB 4.32Å; K75-I77 VanDerWaalsContact C-N 3.28Å; K75-I77 HydrophobicContact CD-CG1 4.03Å; K75-I77 HydrophobicContact CG-CG1 3.94Å; K75-I77 PolarHBondContact O-N 2.84Å; K75-C79 VanDerWaalsContact CD-SG 3.53Å; K75-E83 IonicContact NZ-OE1 3Å; K75-E83 PolarHBondContact NZ-OE1 3.14Å; K75-E83 IonicContact NZ-OE2 2.64Å; K75-E83 PolarHBondContact NZ-OE2 2.86Å; K75-G109 PolarHBondContact N-O 3.47Å; K75-G109 VanDerWaalsContact O-CA 3.23Å; K75-G109 WeakPolarHBondContact O-CA 3.34Å; K75-I111 HydrophobicContact CB-CD1 3.7Å; K75-H184 PolarHBondContact O-NE2 2.85Å
76	L	91.4	Very high	91.1	Very high	80 Å²	80	57.9 Å²	57.9	42%	0.419	32%	0.32	S	S	.	.	S	Bend	trans	-89.1	13.9	-177.5	-68	171.2	0	0	0	114	N227	L76-N227 HydrophobicContact CD1-CB 4.27Å
77	I	91.1	Very high	91.6	Very high	111 Å²	111	54.9 Å²	54.9	57%	0.569	30%	0.295	S	S	*	.	S	Bend	trans	-134.2	156.4	168.8	58.2	173.8	0	0	0	107.6	K75 H184	K75-I77 VanDerWaalsContact C-N 3.28Å; K75-I77 HydrophobicContact CD-CG1 4.03Å; K75-I77 HydrophobicContact CG-CG1 3.94Å; K75-I77 PolarHBondContact O-N 2.84Å; I77-H184 PolarHBondContact O-CE1 2.89Å
78	W	93.7	Very high	92	Very high	57 Å²	57	51.5 Å²	51.5	22%	0.216	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.2	174.2	-67.7	125.6	0	0	0	111.3	H168 R170 H184 L186 V188	W78-H168 HydrophobicContact CH2-CB 3.96Å; W78-H168 HydrophobicContact CZ2-CB 3.9Å; W78-H168 AromaticContact CZ2-ND1 3.87Å; W78-R170 HydrophobicContact CE3-CG 4.16Å; W78-R170 HydrophobicContact CH2-CB 4.31Å; W78-R170 HydrophobicContact CH2-CG 3.54Å; W78-R170 HydrophobicContact CZ2-CG 4.01Å; W78-R170 HydrophobicContact CZ3-CB 3.97Å; W78-R170 HydrophobicContact CZ3-CG 3.62Å; W78-H184 HydrophobicContact CE3-CB 4.38Å; W78-H184 AromaticContact CE3-CE1 3.97Å; W78-H184 AromaticContact CE3-CG 3.85Å; W78-H184 AromaticContact CE3-ND1 3.61Å; W78-H184 HydrophobicContact CZ3-CB 4Å; W78-H184 AromaticContact CZ3-CG 3.76Å; W78-L186 HydrophobicContact CD2-CB 4.44Å; W78-L186 HydrophobicContact CD2-CD2 3.69Å; W78-L186 HydrophobicContact CE3-CB 4.15Å; W78-L186 HydrophobicContact CE3-CD2 4Å; W78-L186 HydrophobicContact CG-CD2 4.04Å; W78-L186 HydrophobicContact CH2-CB 3.45Å; W78-L186 VanDerWaalsContact CH2-CB 3.45Å; W78-L186 HydrophobicContact CH2-CD2 4.44Å; W78-L186 HydrophobicContact CZ2-CB 3.79Å; W78-L186 HydrophobicContact CZ2-CD2 4.19Å; W78-L186 HydrophobicContact CZ3-CB 3.66Å; W78-L186 HydrophobicContact CZ3-CD2 4.36Å; W78-V188 HydrophobicContact CZ2-CG2 3.84Å
79	C	93.6	Very high	92.3	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.061	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-74.5	137.1	166.9	-65.6	0	0	0	0	110.1	K75 E83 V84	K75-C79 VanDerWaalsContact CD-SG 3.53Å; C79-E83 VanDerWaalsContact CA-OE2 3.28Å; C79-E83 WeakPolarHBondContact CA-OE2 3.16Å; C79-E83 HydrophobicContact CB-CB 4.09Å; C79-V84 HydrophobicContact CB-CG2 3.62Å
80	N	94	Very high	92.7	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-72.6	165.6	173.2	73.1	54.5	0	0	0	111	K82 E83 V84	N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 2.71Å; N80-K82 WeakPolarHBondContact OD1-CB 3.5Å; N80-K82 PolarHBondContact OD1-N 3.32Å; N80-K82 VanDerWaalsContact OD1-N 3.07Å; N80-E83 PolarHBondContact N-OE2 3.47Å; N80-E83 WeakPolarHBondContact ND2-CG 3.38Å; N80-E83 PolarHBondContact ND2-OE2 2.99Å; N80-E83 PolarHBondContact O-N 3.16Å; N80-E83 VanDerWaalsContact O-N 3.17Å; N80-E83 PolarHBondContact OD1-N 3.47Å; N80-V84 WeakPolarHBondContact O-CG2 3.38Å; N80-V84 PolarHBondContact O-N 3.4Å
81	Q	94.9	Very high	93	Very high	95 Å²	95	40.4 Å²	40.4	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-58.1	-36.3	-173.5	-65.6	168.1	-18.5	0	0	113.1	A85 L146 K147 V148 I154	Q81-A85 PolarHBondContact O-N 2.91Å; Q81-L146 HydrophobicContact CG-CB 4.3Å; Q81-L146 HydrophobicContact CG-CD1 4.34Å; Q81-K147 PolarHBondContact OE1-O 2.76Å; Q81-K147 VanDerWaalsContact OE1-O 3.11Å; Q81-V148 HydrophobicContact CB-CG2 4.06Å; Q81-V148 WeakPolarHBondContact O-CG2 3.38Å; Q81-I154 WeakPolarHBondContact O-CD1 3.5Å
82	K	93.2	Very high	93.1	Very high	76 Å²	76	40.1 Å²	40.1	33%	0.33	20%	0.203	S	C	.	.	H	α-helix	trans	-68.7	-49.1	176.8	-177.3	-175.5	174.9	-83.8	0	111.1	L65 N80 V84 A85 E86	L65-K82 HydrophobicContact CD2-CD 4.36Å; L65-K82 HydrophobicContact CD2-CG 3.81Å; N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 2.71Å; N80-K82 WeakPolarHBondContact OD1-CB 3.5Å; N80-K82 PolarHBondContact OD1-N 3.32Å; N80-K82 VanDerWaalsContact OD1-N 3.07Å; K82-V84 VanDerWaalsContact C-N 3.27Å; K82-V84 PolarHBondContact O-N 3.45Å; K82-A85 PolarHBondContact O-N 3.39Å; K82-A85 VanDerWaalsContact O-N 3.15Å; K82-E86 VanDerWaalsContact CE-OE1 3.3Å; K82-E86 WeakPolarHBondContact CE-OE1 3.47Å; K82-E86 IonicContact NZ-OE1 2.64Å; K82-E86 PolarHBondContact NZ-OE1 3.38Å; K82-E86 IonicContact NZ-OE2 2.74Å; K82-E86 PolarHBondContact NZ-OE2 2.86Å; K82-E86 PolarHBondContact O-N 3.15Å
83	E	94.4	Very high	93.2	Very high	44 Å²	44	38.6 Å²	38.6	21%	0.206	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-38.1	176.2	-70.4	176.7	126.8	0	0	112.4	K75 C79 N80 E86 L87	K75-E83 IonicContact NZ-OE1 3Å; K75-E83 PolarHBondContact NZ-OE1 3.14Å; K75-E83 IonicContact NZ-OE2 2.64Å; K75-E83 PolarHBondContact NZ-OE2 2.86Å; C79-E83 VanDerWaalsContact CA-OE2 3.28Å; C79-E83 WeakPolarHBondContact CA-OE2 3.16Å; C79-E83 HydrophobicContact CB-CB 4.09Å; N80-E83 PolarHBondContact N-OE2 3.47Å; N80-E83 WeakPolarHBondContact ND2-CG 3.38Å; N80-E83 PolarHBondContact ND2-OE2 2.99Å; N80-E83 PolarHBondContact O-N 3.16Å; N80-E83 VanDerWaalsContact O-N 3.17Å; N80-E83 PolarHBondContact OD1-N 3.47Å; E83-E86 PolarHBondContact O-N 3.25Å; E83-L87 VanDerWaalsContact O-CB 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.28Å; E83-L87 VanDerWaalsContact O-CG 3.24Å; E83-L87 WeakPolarHBondContact O-CG 3.28Å; E83-L87 PolarHBondContact O-N 3.42Å
84	V	95.5	Very high	93.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-42.4	176.6	171.6	0	0	0	0	111.2	C79 N80 K82 L88 I154 Y172	C79-V84 HydrophobicContact CB-CG2 3.62Å; N80-V84 WeakPolarHBondContact O-CG2 3.38Å; N80-V84 PolarHBondContact O-N 3.4Å; K82-V84 VanDerWaalsContact C-N 3.27Å; K82-V84 PolarHBondContact O-N 3.45Å; V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 WeakPolarHBondContact O-CB 3.47Å; V84-L88 WeakPolarHBondContact O-CD1 3.39Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.41Å; V84-L88 PolarHBondContact O-N 3.22Å; V84-I154 HydrophobicContact CB-CD1 4.09Å; V84-I154 HydrophobicContact CG1-CD1 3.85Å; V84-I154 HydrophobicContact CG1-CG1 4.45Å; V84-I154 HydrophobicContact CG1-CG2 4.13Å; V84-Y172 HydrophobicContact CG1-CD1 3.77Å; V84-Y172 HydrophobicContact CG1-CD2 4.2Å; V84-Y172 HydrophobicContact CG1-CE1 4.42Å; V84-Y172 HydrophobicContact CG1-CG 3.6Å; V84-Y172 HydrophobicContact CG2-CD1 4.47Å; V84-Y172 HydrophobicContact CG2-CD2 4.45Å; V84-Y172 HydrophobicContact CG2-CE1 4.36Å; V84-Y172 HydrophobicContact CG2-CE2 4.34Å; V84-Y172 HydrophobicContact CG2-CG 4.49Å
85	A	93.9	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-45	173.8	0	0	0	0	0	111.8	L62 L65 Q81 K82 L88 L89 V148 I154	L62-A85 HydrophobicContact CD2-CB 4.3Å; L65-A85 HydrophobicContact CD1-CB 3.6Å; Q81-A85 PolarHBondContact O-N 2.91Å; K82-A85 PolarHBondContact O-N 3.39Å; K82-A85 VanDerWaalsContact O-N 3.15Å; A85-L88 PolarHBondContact O-N 2.83Å; A85-L89 WeakPolarHBondContact O-CB 3.46Å; A85-L89 VanDerWaalsContact O-CG 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.36Å; A85-L89 PolarHBondContact O-N 2.87Å; A85-V148 HydrophobicContact CB-CG2 4.26Å; A85-I154 HydrophobicContact CB-CD1 4.18Å
86	E	93.7	Very high	93.1	Very high	21 Å²	21	41.7 Å²	41.7	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-46.3	178	-77.7	174.1	154.1	0	0	111.7	L65 A66 P68 K82 E83 L89 G90	L65-E86 HydrophobicContact CB-CG 3.77Å; L65-E86 HydrophobicContact CD1-CG 4.28Å; L65-E86 HydrophobicContact CD2-CG 4.31Å; L65-E86 HydrophobicContact CG-CG 4.35Å; A66-E86 PolarHBondContact N-OE1 2.8Å; A66-E86 WeakPolarHBondContact O-CG 3.43Å; P68-E86 WeakPolarHBondContact CD-O 3.04Å; P68-E86 WeakPolarHBondContact CG-O 3.44Å; K82-E86 VanDerWaalsContact CE-OE1 3.3Å; K82-E86 WeakPolarHBondContact CE-OE1 3.47Å; K82-E86 IonicContact NZ-OE1 2.64Å; K82-E86 PolarHBondContact NZ-OE1 3.38Å; K82-E86 IonicContact NZ-OE2 2.74Å; K82-E86 PolarHBondContact NZ-OE2 2.86Å; K82-E86 PolarHBondContact O-N 3.15Å; E83-E86 PolarHBondContact O-N 3.25Å; E86-L89 PolarHBondContact O-N 3.13Å; E86-G90 PolarHBondContact O-N 3.25Å
87	L	95.2	Very high	93.2	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-38.8	175.8	-74.3	169.7	0	0	0	113	P68 I72 E83 G90 A91 W97 F113 L182	P68-L87 HydrophobicContact CG-CD2 4.3Å; I72-L87 HydrophobicContact CB-CD2 4.37Å; I72-L87 HydrophobicContact CD1-CD2 4.31Å; I72-L87 HydrophobicContact CG1-CD2 4.29Å; E83-L87 VanDerWaalsContact O-CB 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.28Å; E83-L87 VanDerWaalsContact O-CG 3.24Å; E83-L87 WeakPolarHBondContact O-CG 3.28Å; E83-L87 PolarHBondContact O-N 3.42Å; L87-G90 PolarHBondContact O-N 3.21Å; L87-A91 PolarHBondContact O-N 3.09Å; L87-W97 HydrophobicContact CD2-CZ3 4.42Å; L87-F113 HydrophobicContact CB-CE1 4.23Å; L87-F113 HydrophobicContact CB-CZ 4.05Å; L87-F113 HydrophobicContact CD2-CZ 4.34Å; L87-F113 WeakPolarHBondContact O-CE1 3.39Å; L87-L182 HydrophobicContact CB-CD1 3.78Å; L87-L182 HydrophobicContact CD1-CD1 4.13Å
88	L	95.1	Very high	93.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-40.8	175.8	-76.9	167.2	0	0	0	112.1	V84 A85 A91 C92 L174 V180 L182	V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 WeakPolarHBondContact O-CB 3.47Å; V84-L88 WeakPolarHBondContact O-CD1 3.39Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.41Å; V84-L88 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 2.83Å; L88-A91 PolarHBondContact O-N 3.46Å; L88-C92 PolarHBondContact O-N 3.1Å; L88-C92 PolarHBondContact O-SG 3.23Å; L88-C92 VanDerWaalsContact O-SG 3.4Å; L88-L174 HydrophobicContact CB-CD1 4.29Å; L88-L174 HydrophobicContact CB-CD2 4.15Å; L88-L174 HydrophobicContact CB-CG 3.96Å; L88-L174 HydrophobicContact CD1-CD2 4.11Å; L88-L174 HydrophobicContact CD1-CG 4.13Å; L88-V180 HydrophobicContact CD2-CG1 4.43Å; L88-L182 HydrophobicContact CD2-CB 3.77Å; L88-L182 HydrophobicContact CG-CB 4.31Å
89	L	92.4	Very high	93.6	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-39.7	174.2	-68.6	168.4	0	0	0	111.3	F51 I58 L65 A85 E86 C92 V93 L174	F51-L89 HydrophobicContact CZ-CD2 4.13Å; I58-L89 HydrophobicContact CD1-CD2 3.93Å; L65-L89 HydrophobicContact CB-CD1 4.29Å; L65-L89 HydrophobicContact CD1-CD1 4.09Å; A85-L89 WeakPolarHBondContact O-CB 3.46Å; A85-L89 VanDerWaalsContact O-CG 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.36Å; A85-L89 PolarHBondContact O-N 2.87Å; E86-L89 PolarHBondContact O-N 3.13Å; L89-C92 WeakPolarHBondContact O-CB 3.15Å; L89-C92 PolarHBondContact O-N 2.93Å; L89-C92 VanDerWaalsContact O-N 3.14Å; L89-V93 PolarHBondContact O-N 3.42Å; L89-L174 HydrophobicContact CD2-CD1 3.79Å; L89-L174 HydrophobicContact CG-CD1 4.28Å
90	G	93.1	Very high	93.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-49.5	172.2	0	0	0	0	0	112.4	E86 L87 C92 V93 H94	E86-G90 PolarHBondContact O-N 3.25Å; L87-G90 PolarHBondContact O-N 3.21Å; G90-C92 PolarHBondContact O-N 3.24Å; G90-V93 PolarHBondContact O-N 3.45Å; G90-H94 WeakPolarHBondContact O-CB 3.31Å; G90-H94 PolarHBondContact O-CD2 3.16Å; G90-H94 PolarHBondContact O-N 3Å
91	A	93.6	Very high	93.6	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-13.7	177.5	0	0	0	0	0	114.7	L87 L88 W97 F113 V180	L87-A91 PolarHBondContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 3.46Å; A91-W97 HydrophobicContact CB-CE3 4.03Å; A91-F113 HydrophobicContact CB-CB 4.36Å; A91-F113 HydrophobicContact CB-CD1 3.35Å; A91-F113 HydrophobicContact CB-CE1 3.62Å; A91-F113 HydrophobicContact CB-CG 3.87Å; A91-F113 HydrophobicContact CB-CZ 4.37Å; A91-V180 HydrophobicContact CB-CG1 3.9Å
92	C	90.3	Very high	93.6	Very high	37 Å²	37	37.3 Å²	37.3	25%	0.25	21%	0.211	C	C	.	.	H	α-helix	trans	-82.1	-26.4	167.9	-70.3	0	0	0	0	112.9	F51 L88 L89 G90	F51-C92 HydrophobicContact CE2-CB 4.46Å; L88-C92 PolarHBondContact O-N 3.1Å; L88-C92 PolarHBondContact O-SG 3.23Å; L88-C92 VanDerWaalsContact O-SG 3.4Å; L89-C92 WeakPolarHBondContact O-CB 3.15Å; L89-C92 PolarHBondContact O-N 2.93Å; L89-C92 VanDerWaalsContact O-N 3.14Å; G90-C92 PolarHBondContact O-N 3.24Å
93	V	90.6	Very high	93.7	Very high	37 Å²	37	37.6 Å²	37.6	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-82.9	-35.8	171.3	-179.9	0	0	0	0	111.5	F51 I67 L89 G90 P95	F51-V93 HydrophobicContact CD2-CG2 3.45Å; F51-V93 VanDerWaalsContact CD2-CG2 3.45Å; F51-V93 HydrophobicContact CE2-CG2 3.43Å; F51-V93 VanDerWaalsContact CE2-CG2 3.43Å; F51-V93 HydrophobicContact CG-CG2 4.4Å; F51-V93 HydrophobicContact CZ-CG2 4.36Å; I67-V93 HydrophobicContact CD1-CG2 4.3Å; I67-V93 HydrophobicContact CG2-CG2 4.04Å; L89-V93 PolarHBondContact O-N 3.42Å; G90-V93 PolarHBondContact O-N 3.45Å; V93-P95 WeakPolarHBondContact O-CD 3.32Å
94	H	92.5	Very high	93.7	Very high	44 Å²	44	39.9 Å²	39.9	20%	0.204	23%	0.23	C	C	.	.			trans	-111.7	81.2	-170.5	-66	-72.9	0	0	0	111.4	G90 D96 W97	G90-H94 WeakPolarHBondContact O-CB 3.31Å; G90-H94 PolarHBondContact O-CD2 3.16Å; G90-H94 PolarHBondContact O-N 3Å; H94-D96 VanDerWaalsContact C-OD1 3.25Å; H94-D96 VanDerWaalsContact CA-OD1 3.3Å; H94-D96 WeakPolarHBondContact CA-OD1 3.27Å; H94-D96 WeakPolarHBondContact CB-OD1 3.04Å; H94-D96 IonicContact ND1-OD1 3.01Å; H94-D96 PolarHBondContact O-N 2.77Å; H94-D96 VanDerWaalsContact O-N 3.16Å; H94-W97 HydrophobicContact CB-CD2 3.77Å; H94-W97 VanDerWaalsContact CB-CE2 3.46Å; H94-W97 HydrophobicContact CB-CG 3.81Å; H94-W97 HydrophobicContact CB-CZ2 4.05Å; H94-W97 VanDerWaalsContact CB-NE1 3.31Å; H94-W97 AromaticContact CD2-CE2 3.99Å; H94-W97 AromaticContact CD2-CZ2 3.63Å; H94-W97 AromaticContact CG-CE2 3.76Å; H94-W97 AromaticContact CG-CZ2 3.89Å; H94-W97 AromaticContact CG-NE1 3.7Å; H94-W97 WeakPolarHBondContact O-CB 3.3Å; H94-W97 PolarHBondContact O-N 2.72Å
95	P	89.4	Confident	93.6	Very high	87 Å²	87	41.7 Å²	41.7	57%	0.565	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-66.9	-13.7	-179.4	29.9	-37.1	0	0	0	113.1	V93 W97 L98	V93-P95 WeakPolarHBondContact O-CD 3.32Å; P95-W97 PolarHBondContact O-N 2.86Å; P95-L98 HydrophobicContact CB-CD1 4.18Å; P95-L98 WeakPolarHBondContact O-CB 3.37Å; P95-L98 PolarHBondContact O-N 3.18Å
96	D	93	Very high	93.8	Very high	120 Å²	120	41.9 Å²	41.9	64%	0.642	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-66.1	-19.3	169.7	54.1	-66.6	0	0	0	113.5	H94 L98	H94-D96 VanDerWaalsContact C-OD1 3.25Å; H94-D96 VanDerWaalsContact CA-OD1 3.3Å; H94-D96 WeakPolarHBondContact CA-OD1 3.27Å; H94-D96 WeakPolarHBondContact CB-OD1 3.04Å; H94-D96 IonicContact ND1-OD1 3.01Å; H94-D96 PolarHBondContact O-N 2.77Å; H94-D96 VanDerWaalsContact O-N 3.16Å; D96-L98 VanDerWaalsContact C-N 3.29Å
97	W	95	Very high	93.9	Very high	26 Å²	26	47.3 Å²	47.3	10%	0.098	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-78.7	-13	174	-59	8.1	0	0	0	112.7	P68 V70 C71 L87 A91 H94 P95 S99 F113	P68-W97 HydrophobicContact CB-CH2 4.37Å; P68-W97 HydrophobicContact CG-CH2 4.06Å; P68-W97 HydrophobicContact CG-CZ3 4.43Å; P68-W97 VanDerWaalsContact O-CH2 3.23Å; P68-W97 WeakPolarHBondContact O-CH2 3.41Å; V70-W97 VanDerWaalsContact C-CZ2 3.42Å; C71-W97 HydrophobicContact CB-CD2 3.57Å; C71-W97 HydrophobicContact CB-CE3 4.12Å; C71-W97 HydrophobicContact CB-CG 3.71Å; C71-W97 HydrophobicContact CB-CZ2 4.24Å; L87-W97 HydrophobicContact CD2-CZ3 4.42Å; A91-W97 HydrophobicContact CB-CE3 4.03Å; H94-W97 HydrophobicContact CB-CD2 3.77Å; H94-W97 VanDerWaalsContact CB-CE2 3.46Å; H94-W97 HydrophobicContact CB-CG 3.81Å; H94-W97 HydrophobicContact CB-CZ2 4.05Å; H94-W97 VanDerWaalsContact CB-NE1 3.31Å; H94-W97 AromaticContact CD2-CE2 3.99Å; H94-W97 AromaticContact CD2-CZ2 3.63Å; H94-W97 AromaticContact CG-CE2 3.76Å; H94-W97 AromaticContact CG-CZ2 3.89Å; H94-W97 AromaticContact CG-NE1 3.7Å; H94-W97 WeakPolarHBondContact O-CB 3.3Å; H94-W97 PolarHBondContact O-N 2.72Å; P95-W97 PolarHBondContact O-N 2.86Å; W97-S99 PolarHBondContact O-N 2.78Å; W97-F113 HydrophobicContact CB-CD2 4.15Å; W97-F113 HydrophobicContact CE3-CE2 4.01Å; W97-F113 HydrophobicContact CE3-CZ 4.05Å; W97-F113 HydrophobicContact CZ3-CZ 4.44Å
98	L	95.7	Very high	94	Very high	29 Å²	29	47 Å²	47	15%	0.152	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-80.7	116.3	-176.8	-61.9	167.3	0	0	0	111	P95 D96 S100 F113 R115 V180	P95-L98 HydrophobicContact CB-CD1 4.18Å; P95-L98 WeakPolarHBondContact O-CB 3.37Å; P95-L98 PolarHBondContact O-N 3.18Å; D96-L98 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-F113 HydrophobicContact CD2-CB 3.99Å; L98-R115 HydrophobicContact CD1-CG 4.05Å; L98-V180 HydrophobicContact CD2-CB 4.47Å; L98-V180 HydrophobicContact CD2-CG1 3.75Å; L98-V180 HydrophobicContact CD2-CG2 3.99Å
99	S	95.9	Very high	94	Very high	24 Å²	24	47 Å²	47	17%	0.168	26%	0.256	C	S	.	.			trans	-66.2	120.1	173.9	-164.1	0	0	0	0	110.4	W97 V101 F113	W97-S99 PolarHBondContact O-N 2.78Å; S99-V101 VanDerWaalsContact C-N 3.31Å; S99-V101 PolarHBondContact OG-O 2.76Å; S99-F113 PolarHBondContact N-O 2.94Å
100	S	93.3	Very high	94.2	Very high	93 Å²	93	47.6 Å²	47.6	65%	0.65	26%	0.261	S	S	*	.	S	Bend	trans	-77.4	-17.7	174.7	54.8	0	0	0	0	113.2	L98	L98-S100 PolarHBondContact O-N 2.85Å
101	V	94.3	Very high	94.4	Very high	102 Å²	102	48 Å²	48	62%	0.618	26%	0.263	S	S	*	.	S	Bend	trans	-121	142.8	-178.4	-176.9	0	0	0	0	109.4	S99 Q103 Y114	S99-V101 VanDerWaalsContact C-N 3.31Å; S99-V101 PolarHBondContact OG-O 2.76Å; V101-Q103 PolarHBondContact O-N 3.27Å; V101-Y114 WeakPolarHBondContact O-CE1 3.29Å
102	I	95.1	Very high	94.6	Very high	30 Å²	30	48.2 Å²	48.2	15%	0.154	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-70.9	118.4	174.1	-59.2	171.2	0	0	0	108.6	V104 L118 L121 A122 Q125	I102-V104 PolarHBondContact O-N 3.46Å; I102-L118 HydrophobicContact CD1-CD2 4.42Å; I102-L118 HydrophobicContact CG1-CD2 3.96Å; I102-L121 HydrophobicContact CD1-CB 3.54Å; I102-A122 HydrophobicContact CG1-CB 4.44Å; I102-A122 HydrophobicContact CG2-CB 4.14Å; I102-Q125 HydrophobicContact CD1-CB 4.26Å; I102-Q125 VanDerWaalsContact CD1-OE1 3.27Å; I102-Q125 HydrophobicContact CG2-CB 4.24Å
103	Q	94.7	Very high	95	Very high	83 Å²	83	46.5 Å²	46.5	39%	0.388	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-76.4	121.4	172.5	-62.3	-170.4	20.3	0	0	109.8	V101 P106 I112 Y114	V101-Q103 PolarHBondContact O-N 3.27Å; Q103-P106 HydrophobicContact CB-CG 4.09Å; Q103-P106 WeakPolarHBondContact O-CD 3.43Å; Q103-I112 HydrophobicContact CB-CD1 3.9Å; Q103-I112 HydrophobicContact CG-CD1 4.07Å; Q103-I112 VanDerWaalsContact OE1-CD1 3.27Å; Q103-Y114 PolarHBondContact N-OH 3.13Å
104	V	95.1	Very high	95.3	Very high	91 Å²	91	44.8 Å²	44.8	55%	0.552	24%	0.242	S	C	*	.	S	Bend	trans	-87.3	132.5	175.1	-178.4	0	0	0	0	108.9	I102	I102-V104 PolarHBondContact O-N 3.46Å
105	R	94.4	Very high	95.4	Very high	40 Å²	40	48.4 Å²	48.4	15%	0.151	25%	0.254	C	S	.	.	S	Bend	trans	47.3	59.3	-174.7	-64.3	161.8	-170.6	140.6	-8.5	114.4	R107 D126 G127 Y128 E219 Q220 N223	R105-R107 PolarHBondContact O-N 2.91Å; R105-D126 WeakPolarHBondContact CA-O 3.43Å; R105-D126 PolarHBondContact N-O 3.21Å; R105-G127 WeakPolarHBondContact CG-O 3.44Å; R105-G127 PolarHBondContact NE-O 3.4Å; R105-Y128 HydrophobicContact CB-CE1 4.18Å; R105-Y128 HydrophobicContact CB-CE2 4.37Å; R105-Y128 HydrophobicContact CG-CD1 4.28Å; R105-Y128 HydrophobicContact CG-CE1 4.15Å; R105-E219 VanDerWaalsContact CD-OE1 3.23Å; R105-E219 WeakPolarHBondContact CD-OE1 3.36Å; R105-E219 IonicContact CZ-OE1 2.71Å; R105-E219 IonicContact CZ-OE2 3.07Å; R105-E219 IonicContact NE-OE1 3.22Å; R105-E219 IonicContact NH1-OE1 2.82Å; R105-E219 PolarHBondContact NH1-OE1 2.93Å; R105-E219 IonicContact NH1-OE2 3.69Å; R105-E219 PolarHBondContact NH1-OE2 3.38Å; R105-Q220 HydrophobicContact CG-CG 4.22Å; R105-N223 HydrophobicContact CB-CB 4.43Å
106	P	96.7	Very high	95.6	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.026	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-49.6	129.9	174.2	-29.9	38.9	0	0	0	112.6	Q103 I112 Y128 Y185	Q103-P106 HydrophobicContact CB-CG 4.09Å; Q103-P106 WeakPolarHBondContact O-CD 3.43Å; P106-I112 HydrophobicContact CB-CD1 3.84Å; P106-I112 HydrophobicContact CG-CD1 3.72Å; P106-Y128 VanDerWaalsContact O-CE2 3.25Å; P106-Y128 WeakPolarHBondContact O-CE2 3.46Å; P106-Y128 PolarHBondContact O-OH 2.81Å; P106-Y185 HydrophobicContact CB-CD1 4.35Å; P106-Y185 HydrophobicContact CB-CD2 3.56Å; P106-Y185 HydrophobicContact CB-CE1 4.46Å; P106-Y185 HydrophobicContact CB-CE2 3.7Å; P106-Y185 HydrophobicContact CB-CG 3.91Å; P106-Y185 HydrophobicContact CG-CD2 4.06Å; P106-Y185 HydrophobicContact CG-CE1 4.28Å; P106-Y185 HydrophobicContact CG-CE2 3.65Å
107	R	96.3	Very high	95.5	Very high	134 Å²	134	49.6 Å²	49.6	51%	0.506	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.8	155.6	-175.5	-75.3	170.8	178.6	178.3	2.4	111.6	R105 G109 S110 N223 N226	R105-R107 PolarHBondContact O-N 2.91Å; R107-G109 PolarHBondContact O-N 3.45Å; R107-S110 PolarHBondContact N-OG 2.8Å; R107-S110 WeakPolarHBondContact O-CB 3.3Å; R107-S110 PolarHBondContact O-N 3.32Å; R107-S110 PolarHBondContact O-OG 3.46Å; R107-S110 VanDerWaalsContact O-OG 3.13Å; R107-N223 HydrophobicContact CG-CB 4.2Å; R107-N223 WeakPolarHBondContact CG-OD1 3.49Å; R107-N223 PolarHBondContact NE-OD1 2.99Å; R107-N226 HydrophobicContact CB-CB 4.14Å; R107-N226 HydrophobicContact CG-CB 4.12Å
108	N	96.8	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	128	172.3	165.8	51.8	0	0	0	112.2	R74 F167 N187 N223 M224 N226	R74-N108 VanDerWaalsContact CZ-O 3.27Å; R74-N108 PolarHBondContact NE-O 3.31Å; R74-N108 PolarHBondContact NH2-O 3.18Å; N108-F167 HydrophobicContact CB-CE2 4.43Å; N108-N187 HydrophobicContact CB-CB 4.43Å; N108-N187 WeakPolarHBondContact OD1-CB 3.22Å; N108-N187 PolarHBondContact OD1-N 3.43Å; N108-N223 PolarHBondContact N-O 3Å; N108-M224 VanDerWaalsContact CB-O 3.28Å; N108-M224 WeakPolarHBondContact CB-O 3.26Å; N108-N226 WeakPolarHBondContact CB-O 3.26Å; N108-N226 PolarHBondContact ND2-O 3.3Å
109	G	95.6	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-5.9	-173.4	0	0	0	0	0	115.4	R74 K75 R107 I111 Y185	R74-G109 CarbonylContact C-O 3.55Å; R74-G109 VanDerWaalsContact CA-O 3.23Å; R74-G109 WeakPolarHBondContact CA-O 3.23Å; R74-G109 VanDerWaalsContact CG-O 3.3Å; R74-G109 WeakPolarHBondContact CG-O 3.47Å; K75-G109 PolarHBondContact N-O 3.47Å; K75-G109 VanDerWaalsContact O-CA 3.23Å; K75-G109 WeakPolarHBondContact O-CA 3.34Å; R107-G109 PolarHBondContact O-N 3.45Å; G109-I111 PolarHBondContact O-N 2.94Å; G109-Y185 CarbonylContact C-O 3.47Å; G109-Y185 WeakPolarHBondContact CA-O 3.37Å; G109-Y185 PolarHBondContact N-O 2.9Å
110	S	97.3	Very high	95.4	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-62.7	132.8	-177.9	-79.7	0	0	0	0	112.4	R107 H184 Y185	R107-S110 PolarHBondContact N-OG 2.8Å; R107-S110 WeakPolarHBondContact O-CB 3.3Å; R107-S110 PolarHBondContact O-N 3.32Å; R107-S110 PolarHBondContact O-OG 3.46Å; R107-S110 VanDerWaalsContact O-OG 3.13Å; S110-H184 WeakPolarHBondContact O-CA 3.32Å; S110-Y185 PolarHBondContact N-O 3.31Å; S110-Y185 PolarHBondContact O-N 3.24Å
111	I	97.6	Very high	95.4	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	168.8	-67.2	174	0	0	0	107.9	I72 A73 K75 G109 F113 L182 F183 H184	I72-I111 HydrophobicContact CG2-CD1 4.27Å; I72-I111 VanDerWaalsContact O-CB 3.32Å; I72-I111 WeakPolarHBondContact O-CB 3.23Å; I72-I111 WeakPolarHBondContact O-CG2 3.24Å; A73-I111 PolarHBondContact O-N 2.83Å; K75-I111 HydrophobicContact CB-CD1 3.7Å; G109-I111 PolarHBondContact O-N 2.94Å; I111-F113 HydrophobicContact CG2-CE2 4.01Å; I111-F113 HydrophobicContact CG2-CZ 4.23Å; I111-L182 HydrophobicContact CG2-CD1 4.41Å; I111-L182 HydrophobicContact CG2-CD2 4.19Å; I111-L182 HydrophobicContact CG2-CG 4.13Å; I111-F183 CarbonylContact C-O 3.5Å; I111-F183 VanDerWaalsContact CA-O 3.29Å; I111-F183 WeakPolarHBondContact CA-O 3.32Å; I111-H184 HydrophobicContact CG1-CB 4.33Å
112	I	97.6	Very high	95.4	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.6	-175.4	-49.4	167.4	0	0	0	109.5	Q103 P106 Y114 F183 Y185	Q103-I112 HydrophobicContact CB-CD1 3.9Å; Q103-I112 HydrophobicContact CG-CD1 4.07Å; Q103-I112 VanDerWaalsContact OE1-CD1 3.27Å; P106-I112 HydrophobicContact CB-CD1 3.84Å; P106-I112 HydrophobicContact CG-CD1 3.72Å; I112-Y114 HydrophobicContact CB-CE2 4.05Å; I112-Y114 HydrophobicContact CG2-CD2 4.11Å; I112-Y114 HydrophobicContact CG2-CE1 4.29Å; I112-Y114 HydrophobicContact CG2-CE2 3.52Å; I112-F183 PolarHBondContact N-O 3.34Å; I112-F183 PolarHBondContact O-N 2.84Å; I112-Y185 HydrophobicContact CD1-CE2 4.24Å
113	F	97.5	Very high	95.4	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.8	174.6	-55.9	-96.8	0	0	0	111	L87 A91 W97 L98 S99 I111 V180 V181 L182	L87-F113 HydrophobicContact CB-CE1 4.23Å; L87-F113 HydrophobicContact CB-CZ 4.05Å; L87-F113 HydrophobicContact CD2-CZ 4.34Å; L87-F113 WeakPolarHBondContact O-CE1 3.39Å; A91-F113 HydrophobicContact CB-CB 4.36Å; A91-F113 HydrophobicContact CB-CD1 3.35Å; A91-F113 HydrophobicContact CB-CE1 3.62Å; A91-F113 HydrophobicContact CB-CG 3.87Å; A91-F113 HydrophobicContact CB-CZ 4.37Å; W97-F113 HydrophobicContact CB-CD2 4.15Å; W97-F113 HydrophobicContact CE3-CE2 4.01Å; W97-F113 HydrophobicContact CE3-CZ 4.05Å; W97-F113 HydrophobicContact CZ3-CZ 4.44Å; L98-F113 HydrophobicContact CD2-CB 3.99Å; S99-F113 PolarHBondContact N-O 2.94Å; I111-F113 HydrophobicContact CG2-CE2 4.01Å; I111-F113 HydrophobicContact CG2-CZ 4.23Å; F113-V180 HydrophobicContact CB-CG1 4.27Å; F113-V180 HydrophobicContact CD1-CG1 4.12Å; F113-V181 WeakPolarHBondContact CA-O 3.27Å; F113-L182 HydrophobicContact CD1-CB 4.05Å; F113-L182 HydrophobicContact CD1-CD1 4.45Å; F113-L182 HydrophobicContact CD1-CG 4.22Å; F113-L182 HydrophobicContact CE1-CB 4.02Å; F113-L182 HydrophobicContact CE1-CD1 3.61Å; F113-L182 HydrophobicContact CE1-CG 3.84Å; F113-L182 HydrophobicContact CZ-CD1 3.92Å; F113-L182 HydrophobicContact CZ-CG 4.26Å
114	Y	97.3	Very high	95.2	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.5	175.2	-66	-80.3	0	0	0	111.1	V101 Q103 I112 L118 A122 V181 F183	V101-Y114 WeakPolarHBondContact O-CE1 3.29Å; Q103-Y114 PolarHBondContact N-OH 3.13Å; I112-Y114 HydrophobicContact CB-CE2 4.05Å; I112-Y114 HydrophobicContact CG2-CD2 4.11Å; I112-Y114 HydrophobicContact CG2-CE1 4.29Å; I112-Y114 HydrophobicContact CG2-CE2 3.52Å; Y114-L118 HydrophobicContact CD1-CB 4Å; Y114-A122 HydrophobicContact CD2-CB 4.24Å; Y114-A122 HydrophobicContact CE1-CB 4.37Å; Y114-A122 HydrophobicContact CE2-CB 3.91Å; Y114-V181 PolarHBondContact N-O 3.1Å; Y114-V181 PolarHBondContact O-N 3.39Å; Y114-F183 AromaticContact CD2-CD2 3.58Å; Y114-F183 HydrophobicContact CD2-CD2 3.58Å; Y114-F183 AromaticContact CD2-CE2 3.67Å; Y114-F183 HydrophobicContact CD2-CE2 3.67Å; Y114-F183 HydrophobicContact CD2-CG 4.21Å; Y114-F183 HydrophobicContact CD2-CZ 4.34Å; Y114-F183 HydrophobicContact CE2-CD2 4.1Å; Y114-F183 HydrophobicContact CE2-CE2 4.34Å; Y114-F183 HydrophobicContact CE2-CG 4.27Å
115	R	95.4	Very high	95.1	Very high	120 Å²	120	52.1 Å²	52.1	45%	0.453	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	149.6	160.1	-67.9	-168.3	-74.7	-97.2	2.4	109.9	L98 E117 L118 A119	L98-R115 HydrophobicContact CD1-CG 4.05Å; R115-E117 VanDerWaalsContact C-N 3.25Å; R115-E117 PolarHBondContact O-N 3.15Å; R115-E117 VanDerWaalsContact O-N 3.1Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-L118 VanDerWaalsContact O-N 3.09Å; R115-A119 PolarHBondContact O-N 2.64Å
116	R	93	Very high	95.2	Very high	94 Å²	94	50.4 Å²	50.4	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-45.8	-42.8	-178.8	170.3	160.7	-79.5	75.7	33	115.1	A119 T120 P178 S179	R116-A119 PolarHBondContact O-N 2.9Å; R116-T120 PolarHBondContact O-N 2.97Å; R116-T120 VanDerWaalsContact O-N 3.16Å; R116-T120 PolarHBondContact O-OG1 3.23Å; R116-P178 PolarHBondContact NH1-O 3.23Å; R116-P178 PolarHBondContact NH2-O 3.37Å; R116-S179 PolarHBondContact N-O 3.03Å
117	E	90.8	Very high	95	Very high	138 Å²	138	51.5 Å²	51.5	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-57.5	-57.2	179.3	-56.1	106.3	-138.7	0	0	110.5	R115 A119 T120	R115-E117 VanDerWaalsContact C-N 3.25Å; R115-E117 PolarHBondContact O-N 3.15Å; R115-E117 VanDerWaalsContact O-N 3.1Å; E117-A119 PolarHBondContact O-N 2.86Å; E117-T120 PolarHBondContact O-N 2.76Å
118	L	95.4	Very high	95	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-38	177.9	-85.1	164.9	0	0	0	112.5	I102 Y114 R115 T120 L121 A122	I102-L118 HydrophobicContact CD1-CD2 4.42Å; I102-L118 HydrophobicContact CG1-CD2 3.96Å; Y114-L118 HydrophobicContact CD1-CB 4Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-L118 VanDerWaalsContact O-N 3.09Å; L118-T120 PolarHBondContact O-N 2.65Å; L118-L121 PolarHBondContact O-N 3.43Å; L118-L121 VanDerWaalsContact O-N 3.13Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.33Å
119	A	95.9	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-35.6	176.9	0	0	0	0	0	112.5	R115 R116 E117 R123 V181 F183	R115-A119 PolarHBondContact O-N 2.64Å; R116-A119 PolarHBondContact O-N 2.9Å; E117-A119 PolarHBondContact O-N 2.86Å; A119-R123 PolarHBondContact O-N 2.93Å; A119-R123 VanDerWaalsContact O-N 3.1Å; A119-V181 HydrophobicContact CB-CB 3.75Å; A119-V181 HydrophobicContact CB-CG1 4.27Å; A119-V181 HydrophobicContact CB-CG2 3.62Å; A119-F183 HydrophobicContact CB-CE2 3.77Å; A119-F183 HydrophobicContact CB-CZ 4.07Å; A119-F183 WeakPolarHBondContact O-CZ 3.46Å
120	T	92.5	Very high	94.7	Very high	61 Å²	61	47.2 Å²	47.2	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-71.8	-33	-179.7	-54.2	0	0	0	0	111.9	R116 E117 L118	R116-T120 PolarHBondContact O-N 2.97Å; R116-T120 VanDerWaalsContact O-N 3.16Å; R116-T120 PolarHBondContact O-OG1 3.23Å; E117-T120 PolarHBondContact O-N 2.76Å; L118-T120 PolarHBondContact O-N 2.65Å
121	L	93.6	Very high	94.3	Very high	80 Å²	80	50.1 Å²	50.1	42%	0.419	23%	0.228	S	C	.	.	H	α-helix	trans	-75.2	-45.1	171.6	-62.5	173.9	0	0	0	111.3	I102 L118 R123 R124 Q125	I102-L121 HydrophobicContact CD1-CB 3.54Å; L118-L121 PolarHBondContact O-N 3.43Å; L118-L121 VanDerWaalsContact O-N 3.13Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.43Å; L121-R124 CarbonylContact O-C 3.59Å; L121-R124 WeakPolarHBondContact O-CA 3.3Å; L121-R124 WeakPolarHBondContact O-CB 3.44Å; L121-R124 PolarHBondContact O-N 2.79Å; L121-Q125 WeakPolarHBondContact O-CB 3.44Å; L121-Q125 PolarHBondContact O-N 2.68Å
122	A	95.6	Very high	93.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-40.6	179.3	0	0	0	0	0	112.5	I102 Y114 L118 R124 Q125 D126 F183	I102-A122 HydrophobicContact CG1-CB 4.44Å; I102-A122 HydrophobicContact CG2-CB 4.14Å; Y114-A122 HydrophobicContact CD2-CB 4.24Å; Y114-A122 HydrophobicContact CE1-CB 4.37Å; Y114-A122 HydrophobicContact CE2-CB 3.91Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.33Å; A122-R124 PolarHBondContact O-N 3.28Å; A122-Q125 PolarHBondContact O-N 2.68Å; A122-D126 WeakPolarHBondContact O-CB 3.42Å; A122-D126 PolarHBondContact O-N 3.08Å; A122-F183 HydrophobicContact CB-CE1 4.21Å; A122-F183 HydrophobicContact CB-CZ 4.08Å
123	R	93.8	Very high	93.3	Very high	48 Å²	48	56.2 Å²	56.2	18%	0.181	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-21.6	173.6	-76.8	-167.8	-171	99.9	-0.8	114.7	A119 L121 E141 R169 T171 F183	A119-R123 PolarHBondContact O-N 2.93Å; A119-R123 VanDerWaalsContact O-N 3.1Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.43Å; R123-E141 IonicContact NE-OE2 3.93Å; R123-R169 PolarHBondContact O-NH1 3.07Å; R123-R169 PolarHBondContact O-NH2 3.21Å; R123-T171 PolarHBondContact NE-OG1 2.88Å; R123-T171 PolarHBondContact NH2-OG1 3.05Å; R123-F183 HydrophobicContact CG-CE1 3.76Å; R123-F183 HydrophobicContact CG-CZ 3.79Å
124	R	90.7	Very high	92.4	Very high	200 Å²	200	62.5 Å²	62.5	76%	0.755	30%	0.295	S	S	*	.	H	α-helix	trans	-107	-18.6	-178.4	-57.2	177.1	-179	-178.2	0.1	113.4	L121 A122	L121-R124 CarbonylContact O-C 3.59Å; L121-R124 WeakPolarHBondContact O-CA 3.3Å; L121-R124 WeakPolarHBondContact O-CB 3.44Å; L121-R124 PolarHBondContact O-N 2.79Å; A122-R124 PolarHBondContact O-N 3.28Å
125	Q	93.9	Very high	91.3	Very high	108 Å²	108	67.3 Å²	67.3	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-126.8	9.9	-167.9	-67.6	-178.9	-30	0	0	113.6	I102 L121 A122 G127	I102-Q125 HydrophobicContact CD1-CB 4.26Å; I102-Q125 VanDerWaalsContact CD1-OE1 3.27Å; I102-Q125 HydrophobicContact CG2-CB 4.24Å; L121-Q125 WeakPolarHBondContact O-CB 3.44Å; L121-Q125 PolarHBondContact O-N 2.68Å; A122-Q125 PolarHBondContact O-N 2.68Å; Q125-G127 PolarHBondContact O-N 3.1Å; Q125-G127 VanDerWaalsContact O-N 3.08Å
126	D	95.5	Very high	90.2	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.016	32%	0.322	C	S	.	.	S	Bend	trans	-67	0.4	171.6	68.4	-0.2	0	0	0	114.3	R105 A122 Y128 W130 R169 Y185	R105-D126 WeakPolarHBondContact CA-O 3.43Å; R105-D126 PolarHBondContact N-O 3.21Å; A122-D126 WeakPolarHBondContact O-CB 3.42Å; A122-D126 PolarHBondContact O-N 3.08Å; D126-Y128 PolarHBondContact O-N 2.74Å; D126-Y128 PolarHBondContact OD1-N 2.88Å; D126-W130 PolarHBondContact OD1-NE1 2.91Å; D126-W130 WeakPolarHBondContact OD2-CZ2 3.37Å; D126-W130 PolarHBondContact OD2-NE1 3.46Å; D126-W130 VanDerWaalsContact OD2-NE1 3.07Å; D126-R169 IonicContact OD1-NH1 2.68Å; D126-R169 WeakPolarHBondContact OD2-CD 3.41Å; D126-R169 IonicContact OD2-CZ 2.76Å; D126-R169 IonicContact OD2-NH1 3.48Å; D126-R169 PolarHBondContact OD2-NH1 2.91Å; D126-Y185 HydrophobicContact CB-CE1 4.45Å; D126-Y185 WeakPolarHBondContact CB-OH 3.23Å; D126-Y185 WeakPolarHBondContact OD2-CE1 3.48Å; D126-Y185 PolarHBondContact OD2-OH 3.01Å
127	G	93.6	Very high	89.3	Confident	28 Å²	28	72.8 Å²	72.8	29%	0.289	34%	0.341	S	S	.	.			trans	71.3	11.9	170.3	0	0	0	0	0	115.5	R105 Q125	R105-G127 WeakPolarHBondContact CG-O 3.44Å; R105-G127 PolarHBondContact NE-O 3.4Å; Q125-G127 PolarHBondContact O-N 3.1Å; Q125-G127 VanDerWaalsContact O-N 3.08Å
128	Y	94.9	Very high	88.9	Confident	14 Å²	14	69.4 Å²	69.4	6%	0.055	33%	0.33	C	S	.	.			trans	-103.1	142.8	176.1	-78.4	-55.6	0	0	0	112.4	R105 P106 D126 W130 F167 Y185 Q220 N223 M224	R105-Y128 HydrophobicContact CB-CE1 4.18Å; R105-Y128 HydrophobicContact CB-CE2 4.37Å; R105-Y128 HydrophobicContact CG-CD1 4.28Å; R105-Y128 HydrophobicContact CG-CE1 4.15Å; P106-Y128 VanDerWaalsContact O-CE2 3.25Å; P106-Y128 WeakPolarHBondContact O-CE2 3.46Å; P106-Y128 PolarHBondContact O-OH 2.81Å; D126-Y128 PolarHBondContact O-N 2.74Å; D126-Y128 PolarHBondContact OD1-N 2.88Å; Y128-W130 VanDerWaalsContact CB-CZ2 3.49Å; Y128-W130 HydrophobicContact CD2-CH2 4.46Å; Y128-W130 AromaticContact CD2-CZ2 3.81Å; Y128-W130 HydrophobicContact CD2-CZ2 3.81Å; Y128-W130 AromaticContact CG-CZ2 3.99Å; Y128-W130 HydrophobicContact CG-CZ2 3.99Å; Y128-W130 PolarHBondContact O-N 2.82Å; Y128-W130 PolarHBondContact O-NE1 3.31Å; Y128-F167 HydrophobicContact CD1-CE1 4.19Å; Y128-F167 AromaticContact CD2-CE1 3.87Å; Y128-F167 HydrophobicContact CD2-CE1 3.87Å; Y128-F167 HydrophobicContact CD2-CZ 4.31Å; Y128-F167 AromaticContact CE1-CE1 3.99Å; Y128-F167 HydrophobicContact CE1-CE1 3.99Å; Y128-F167 HydrophobicContact CE1-CZ 4.3Å; Y128-F167 AromaticContact CE2-CE1 3.61Å; Y128-F167 HydrophobicContact CE2-CE1 3.61Å; Y128-F167 AromaticContact CE2-CZ 3.61Å; Y128-F167 HydrophobicContact CE2-CZ 3.61Å; Y128-F167 HydrophobicContact CG-CE1 4.13Å; Y128-F167 AromaticContact CZ-CE1 3.68Å; Y128-F167 AromaticContact CZ-CZ 3.61Å; Y128-Y185 HydrophobicContact CD2-CD1 4.32Å; Y128-Y185 HydrophobicContact CD2-CE1 4.23Å; Y128-Y185 HydrophobicContact CE2-CD1 4.2Å; Y128-Y185 HydrophobicContact CE2-CE1 4.46Å; Y128-Q220 HydrophobicContact CD1-CB 4.22Å; Y128-Q220 HydrophobicContact CD1-CG 3.81Å; Y128-Q220 HydrophobicContact CE1-CB 4.19Å; Y128-Q220 HydrophobicContact CE1-CG 4.11Å; Y128-N223 VanDerWaalsContact OH-CB 3.3Å; Y128-N223 WeakPolarHBondContact OH-CB 3.39Å; Y128-M224 HydrophobicContact CD1-CE 3.38Å; Y128-M224 HydrophobicContact CE1-CE 3.6Å; Y128-M224 HydrophobicContact CE1-CG 3.79Å; Y128-M224 HydrophobicContact CG-CE 4.32Å
129	L	92.4	Very high	88.5	Confident	20 Å²	20	69.9 Å²	69.9	11%	0.105	34%	0.335	C	S	.	.			trans	-81.3	107.4	172.1	-169.1	77.8	0	0	0	110.4	S161 A162 L163 L204 D208	L129-S161 WeakPolarHBondContact O-CA 3.21Å; L129-S161 PolarHBondContact O-OG 2.98Å; L129-A162 HydrophobicContact CD2-CB 3.8Å; L129-A162 HydrophobicContact CG-CB 3.93Å; L129-A162 PolarHBondContact O-N 2.84Å; L129-L163 HydrophobicContact CB-CD2 4.46Å; L129-L163 HydrophobicContact CB-CG 4.31Å; L129-L163 HydrophobicContact CD2-CD2 3.78Å; L129-L163 HydrophobicContact CD2-CG 4.4Å; L129-L204 HydrophobicContact CD2-CD2 3.93Å; L129-L204 HydrophobicContact CD2-CG 4.19Å; L129-D208 HydrophobicContact CD1-CB 4.06Å; L129-D208 HydrophobicContact CD2-CB 3.89Å
130	W	93.5	Very high	88.2	Confident	10 Å²	10	73.6 Å²	73.6	4%	0.038	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-95.9	147.4	177.2	-57.7	100.8	0	0	0	111.6	D126 Y128 K132 T139 A159 H160 F167 R169 Y185	D126-W130 PolarHBondContact OD1-NE1 2.91Å; D126-W130 WeakPolarHBondContact OD2-CZ2 3.37Å; D126-W130 PolarHBondContact OD2-NE1 3.46Å; D126-W130 VanDerWaalsContact OD2-NE1 3.07Å; Y128-W130 VanDerWaalsContact CB-CZ2 3.49Å; Y128-W130 HydrophobicContact CD2-CH2 4.46Å; Y128-W130 AromaticContact CD2-CZ2 3.81Å; Y128-W130 HydrophobicContact CD2-CZ2 3.81Å; Y128-W130 AromaticContact CG-CZ2 3.99Å; Y128-W130 HydrophobicContact CG-CZ2 3.99Å; Y128-W130 PolarHBondContact O-N 2.82Å; Y128-W130 PolarHBondContact O-NE1 3.31Å; W130-K132 PolarHBondContact O-N 2.83Å; W130-T139 HydrophobicContact CB-CG2 3.58Å; W130-T139 HydrophobicContact CG-CG2 4.24Å; W130-A159 HydrophobicContact CD2-CB 4.22Å; W130-A159 HydrophobicContact CE3-CB 3.76Å; W130-A159 HydrophobicContact CZ3-CB 4.37Å; W130-A159 WeakPolarHBondContact CZ3-O 3.37Å; W130-H160 CarbonylContact C-O 3.54Å; W130-H160 WeakPolarHBondContact CA-O 3.47Å; W130-H160 VanDerWaalsContact CE3-C 3.42Å; W130-F167 AromaticContact CH2-CD1 4Å; W130-F167 HydrophobicContact CH2-CD1 4Å; W130-F167 AromaticContact CH2-CE1 3.73Å; W130-F167 HydrophobicContact CH2-CE1 3.73Å; W130-F167 HydrophobicContact CZ2-CE1 4.41Å; W130-F167 HydrophobicContact CZ3-CD1 4.41Å; W130-R169 HydrophobicContact CE3-CB 4.42Å; W130-R169 HydrophobicContact CH2-CB 3.35Å; W130-R169 HydrophobicContact CZ2-CB 3.76Å; W130-R169 HydrophobicContact CZ3-CB 3.7Å; W130-R169 VanDerWaalsContact NE1-NH1 3.16Å; W130-Y185 HydrophobicContact CH2-CD1 4.23Å; W130-Y185 HydrophobicContact CH2-CE1 4.34Å; W130-Y185 HydrophobicContact CZ2-CD1 4.24Å; W130-Y185 AromaticContact CZ2-CE1 3.92Å; W130-Y185 HydrophobicContact CZ2-CE1 3.92Å
131	K	90.9	Very high	88.2	Confident	77 Å²	77	72 Å²	72	34%	0.335	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-56.3	122.7	173.5	-68.6	-171.6	-178.7	-179.7	0	109.7	K140 H160 S161 A162	K131-K140 WeakPolarHBondContact O-CB 3.34Å; K131-K140 PolarHBondContact O-N 2.76Å; K131-H160 HydrophobicContact CD-CB 3.92Å; K131-H160 HydrophobicContact CG-CB 4.16Å; K131-H160 PolarHBondContact N-O 2.91Å; K131-S161 WeakPolarHBondContact CE-O 3.45Å; K131-S161 WeakPolarHBondContact CG-O 3.26Å; K131-A162 HydrophobicContact CG-CB 4.14Å
132	K	89.1	Confident	88.2	Confident	64 Å²	64	68.9 Å²	68.9	28%	0.278	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-82.9	153.3	177.2	-66.6	165.1	179.1	171.2	0	109.8	W130 T138 D208 E211	W130-K132 PolarHBondContact O-N 2.83Å; K132-T138 CarbonylContact C-O 3.46Å; K132-T138 VanDerWaalsContact CA-O 3.3Å; K132-T138 WeakPolarHBondContact CA-O 3.48Å; K132-D208 WeakPolarHBondContact CD-OD1 3.42Å; K132-D208 WeakPolarHBondContact CE-OD1 3.16Å; K132-D208 IonicContact NZ-OD1 3.71Å; K132-D208 PolarHBondContact NZ-OD1 3.27Å; K132-E211 IonicContact NZ-OE2 3.53Å; K132-E211 PolarHBondContact NZ-OE2 3.01Å
133	K	85.1	Confident	88	Confident	79 Å²	79	74.4 Å²	74.4	34%	0.343	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.5	163.2	170.9	-68.3	-170	-177.7	-174	0	109.8	N135 R136 T138 T139 K140	K133-N135 PolarHBondContact O-N 2.77Å; K133-R136 WeakPolarHBondContact O-CA 3.17Å; K133-R136 PolarHBondContact O-N 2.84Å; K133-T138 PolarHBondContact N-O 3.19Å; K133-T139 WeakPolarHBondContact CE-O 3.17Å; K133-K140 HydrophobicContact CG-CB 3.94Å; K133-K140 HydrophobicContact CG-CG 4.36Å
134	P	76.9	Confident	88	Confident	134 Å²	134	75.1 Å²	75.1	87%	0.87	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.5	-179	-29.2	36.5	0	0	0	114.5	R136	P134-R136 PolarHBondContact O-N 3.31Å; P134-R136 VanDerWaalsContact O-N 3.11Å
135	N	75.4	Confident	88.2	Confident	101 Å²	101	68.3 Å²	68.3	54%	0.54	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	4.3	173.8	71.1	10.9	0	0	0	115.3	K133 R137 T138	K133-N135 PolarHBondContact O-N 2.77Å; N135-R137 PolarHBondContact O-N 3.09Å; N135-R137 PolarHBondContact OD1-N 3.05Å; N135-T138 PolarHBondContact OD1-OG1 3Å
136	R	71.1	Confident	88.3	Confident	126 Å²	126	63.8 Å²	63.8	48%	0.475	32%	0.315	S	S	.	.	S	Bend	trans	51.6	-2.7	-179.2	-59.9	-168.3	-174.5	-175.5	4.1	117.4	K133 P134 N207	K133-R136 WeakPolarHBondContact O-CA 3.17Å; K133-R136 PolarHBondContact O-N 2.84Å; P134-R136 PolarHBondContact O-N 3.31Å; P134-R136 VanDerWaalsContact O-N 3.11Å; R136-N207 PolarHBondContact NH1-OD1 2.67Å
137	R	74.4	Confident	88.2	Confident	203 Å²	203	66.1 Å²	66.1	77%	0.766	33%	0.325	S	S	*	.	S	Bend	trans	-93.7	-18.9	-174	-72.7	-179.5	178.4	-170.3	-2.1	115.2	N135	N135-R137 PolarHBondContact O-N 3.09Å; N135-R137 PolarHBondContact OD1-N 3.05Å
138	T	82.1	Confident	88.1	Confident	68 Å²	68	65.1 Å²	65.1	42%	0.417	31%	0.313	S	S	.	.	S	Bend	trans	-138.6	148.5	-172.6	54	0	0	0	0	112	K132 K133 N135	K132-T138 CarbonylContact C-O 3.46Å; K132-T138 VanDerWaalsContact CA-O 3.3Å; K132-T138 WeakPolarHBondContact CA-O 3.48Å; K133-T138 PolarHBondContact N-O 3.19Å; N135-T138 PolarHBondContact OD1-OG1 3Å
139	T	87.6	Confident	87.7	Confident	44 Å²	44	70.1 Å²	70.1	27%	0.27	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-59.3	137.5	172.7	-55.6	0	0	0	0	111.3	W130 K133 E141 A159	W130-T139 HydrophobicContact CB-CG2 3.58Å; W130-T139 HydrophobicContact CG-CG2 4.24Å; K133-T139 WeakPolarHBondContact CE-O 3.17Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 HydrophobicContact CG2-CG 3.93Å; T139-E141 PolarHBondContact O-N 3.28Å; T139-A159 HydrophobicContact CG2-CB 4.12Å
140	K	90.5	Very high	87.5	Confident	78 Å²	78	72.1 Å²	72.1	34%	0.339	36%	0.362	S	S	.	.			trans	-76.3	81.5	168.7	-172	-175.7	177.6	-175.7	0	108.8	K131 K133 N428	K131-K140 WeakPolarHBondContact O-CB 3.34Å; K131-K140 PolarHBondContact O-N 2.76Å; K133-K140 HydrophobicContact CG-CB 3.94Å; K133-K140 HydrophobicContact CG-CG 4.36Å; K140-N428 WeakPolarHBondContact CE-O 3.46Å; K140-N428 PolarHBondContact NZ-O 3.03Å
141	E	91.7	Very high	87.3	Confident	28 Å²	28	74.3 Å²	74.3	13%	0.131	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.1	164.9	-57.7	-156.5	149.7	0	0	110.3	R123 T139 H143 N157 Y158 A159 R169	R123-E141 IonicContact NE-OE2 3.93Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 HydrophobicContact CG2-CG 3.93Å; T139-E141 PolarHBondContact O-N 3.28Å; E141-H143 IonicContact OE2-CE1 3.77Å; E141-N157 PolarHBondContact OE2-ND2 2.74Å; E141-Y158 VanDerWaalsContact CA-O 3.3Å; E141-Y158 WeakPolarHBondContact CA-O 3.3Å; E141-A159 HydrophobicContact CG-CB 4.33Å; E141-R169 IonicContact OE1-CZ 2.65Å; E141-R169 IonicContact OE1-NE 2.71Å; E141-R169 IonicContact OE1-NH2 3.54Å; E141-R169 PolarHBondContact OE1-NH2 3.21Å
142	V	92.7	Very high	87.4	Confident	13 Å²	13	74.9 Å²	74.9	8%	0.079	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.2	162.8	173.3	0	0	0	0	107.5	M144 N157 Y158 L429	V142-M144 HydrophobicContact CG1-CG 4.22Å; V142-M144 HydrophobicContact CG1-SD 4.33Å; V142-N157 CarbonylContact O-C 3.6Å; V142-N157 VanDerWaalsContact O-CA 3.23Å; V142-N157 WeakPolarHBondContact O-CA 3.39Å; V142-Y158 HydrophobicContact CG1-CD2 4.43Å; V142-Y158 PolarHBondContact N-O 2.99Å; V142-Y158 PolarHBondContact O-N 3.07Å; V142-L429 HydrophobicContact CG1-CD1 4.19Å; V142-L429 HydrophobicContact CG1-CD2 3.61Å; V142-L429 HydrophobicContact CG1-CG 3.86Å; V142-L429 HydrophobicContact CG2-CD2 4.17Å; V142-L429 HydrophobicContact CG2-CG 3.99Å
143	H	93.1	Very high	87.5	Confident	116 Å²	116	71.9 Å²	71.9	54%	0.537	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.6	176.5	-59.4	-66.7	0	0	0	110.1	E141 A156 N157	E141-H143 IonicContact OE2-CE1 3.77Å; H143-A156 WeakPolarHBondContact CA-O 3.29Å; H143-N157 PolarHBondContact CE1-ND2 2.82Å; H143-N157 VanDerWaalsContact CE1-ND2 3.34Å; H143-N157 PolarHBondContact ND1-ND2 3.26Å; H143-N157 PolarHBondContact ND1-OD1 2.94Å
144	M	94.1	Very high	88	Confident	64 Å²	64	68.1 Å²	68.1	32%	0.315	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.4	178	-73.9	174.9	67.2	0	0	110.7	V142 L146 A156 Y158	V142-M144 HydrophobicContact CG1-CG 4.22Å; V142-M144 HydrophobicContact CG1-SD 4.33Å; M144-L146 HydrophobicContact CB-CD2 4.42Å; M144-L146 HydrophobicContact CE-CD2 4.4Å; M144-A156 PolarHBondContact N-O 3.39Å; M144-A156 PolarHBondContact O-N 2.98Å; M144-Y158 HydrophobicContact SD-CD2 4.19Å; M144-Y158 HydrophobicContact SD-CE2 3.56Å; M144-Y158 VanDerWaalsContact SD-CE2 3.56Å
145	V	94.9	Very high	89	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.7	171.1	-171.9	0	0	0	0	107.2	E152 I154	V145-E152 HydrophobicContact CG1-CB 3.71Å; V145-E152 HydrophobicContact CG1-CG 3.77Å; V145-I154 CarbonylContact C-O 3.53Å; V145-I154 WeakPolarHBondContact CA-O 3.38Å
146	L	94.4	Very high	90	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135	-176.6	-49.1	177.5	0	0	0	110.2	Q81 M144 C153 I154 A156 Y172	Q81-L146 HydrophobicContact CG-CB 4.3Å; Q81-L146 HydrophobicContact CG-CD1 4.34Å; M144-L146 HydrophobicContact CB-CD2 4.42Å; M144-L146 HydrophobicContact CE-CD2 4.4Å; L146-C153 PolarHBondContact O-N 3.17Å; L146-C153 VanDerWaalsContact O-N 3.09Å; L146-I154 HydrophobicContact CB-CB 4.22Å; L146-I154 HydrophobicContact CD1-CG2 4.49Å; L146-I154 PolarHBondContact N-O 3.17Å; L146-I154 PolarHBondContact O-N 2.86Å; L146-A156 HydrophobicContact CD1-CB 3.91Å; L146-A156 HydrophobicContact CG-CB 4.12Å; L146-Y172 HydrophobicContact CD1-CD1 4.19Å; L146-Y172 HydrophobicContact CD1-CE1 3.83Å
147	K	93.2	Very high	91.2	Very high	53 Å²	53	54.5 Å²	54.5	23%	0.23	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.7	174.7	-62.1	171.1	179.9	172.5	0	109	Q81 I151 E152 D1242 D1243	Q81-K147 PolarHBondContact OE1-O 2.76Å; Q81-K147 VanDerWaalsContact OE1-O 3.11Å; K147-I151 CarbonylContact C-O 3.57Å; K147-I151 VanDerWaalsContact CA-O 3.29Å; K147-I151 WeakPolarHBondContact CA-O 3.28Å; K147-E152 HydrophobicContact CG-CG 4.11Å; K147-D1242 IonicContact NZ-OD1 2.65Å; K147-D1242 PolarHBondContact NZ-OD1 3.44Å; K147-D1243 IonicContact NZ-OD1 2.67Å; K147-D1243 PolarHBondContact NZ-OD1 3.07Å; K147-D1243 IonicContact NZ-OD2 3Å; K147-D1243 PolarHBondContact NZ-OD2 3.16Å
148	V	91.6	Very high	92.2	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.4	164.3	178.2	0	0	0	0	107.1	L62 L65 Q81 A85 G150 I151 C153 I154	L62-V148 HydrophobicContact CD2-CB 4.33Å; L62-V148 HydrophobicContact CD2-CG1 4.33Å; L65-V148 HydrophobicContact CD1-CG1 4.45Å; Q81-V148 HydrophobicContact CB-CG2 4.06Å; Q81-V148 WeakPolarHBondContact O-CG2 3.38Å; A85-V148 HydrophobicContact CB-CG2 4.26Å; V148-G150 PolarHBondContact O-N 2.94Å; V148-I151 PolarHBondContact N-O 3.15Å; V148-I151 PolarHBondContact O-N 3.02Å; V148-C153 WeakPolarHBondContact CB-SG 3.32Å; V148-C153 WeakPolarHBondContact CG2-SG 3.23Å; V148-I154 HydrophobicContact CG2-CD1 3.75Å
149	Q	87.6	Confident	92.9	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.551	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	41	-171.3	-61.2	-178.4	5.7	0	0	112.1	P61 I151	P61-Q149 HydrophobicContact CB-CB 3.95Å; P61-Q149 PolarHBondContact O-OE1 3.16Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.45Å
150	G	87.8	Confident	93.2	Very high	62 Å²	62	41.3 Å²	41.3	64%	0.639	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-14.7	-178.3	0	0	0	0	0	116.3	V148	V148-G150 PolarHBondContact O-N 2.94Å
151	I	88.7	Confident	93.3	Very high	57 Å²	57	37.6 Å²	37.6	29%	0.292	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.6	-177	-62.1	-167	0	0	0	111.9	P59 P61 K147 V148 Q149 C153	P59-I151 HydrophobicContact CB-CD1 3.84Å; P59-I151 HydrophobicContact CB-CG2 4.3Å; P59-I151 HydrophobicContact CG-CG2 4.25Å; P61-I151 HydrophobicContact CG-CD1 3.59Å; P61-I151 HydrophobicContact CG-CG1 4.21Å; K147-I151 CarbonylContact C-O 3.57Å; K147-I151 VanDerWaalsContact CA-O 3.29Å; K147-I151 WeakPolarHBondContact CA-O 3.28Å; V148-I151 PolarHBondContact N-O 3.15Å; V148-I151 PolarHBondContact O-N 3.02Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.45Å; I151-C153 HydrophobicContact CG2-CB 4.43Å; I151-C153 PolarHBondContact O-N 3.21Å; I151-C153 PolarHBondContact O-SG 3.21Å
152	E	92.9	Very high	93.3	Very high	89 Å²	89	36.7 Å²	36.7	42%	0.416	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	105	165.8	-78.5	-171.5	-163.1	0	0	111.5	V145 K147 R175 F176	V145-E152 HydrophobicContact CG1-CB 3.71Å; V145-E152 HydrophobicContact CG1-CG 3.77Å; K147-E152 HydrophobicContact CG-CG 4.11Å; E152-R175 IonicContact OE2-CZ 2.68Å; E152-R175 IonicContact OE2-NH2 3.83Å; E152-F176 VanDerWaalsContact O-CZ 3.3Å; E152-F176 WeakPolarHBondContact O-CZ 3.42Å
153	C	92.6	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	-9.5	-170.7	59.6	0	0	0	0	115	L62 L146 V148 I151 L174 R175 F176	L62-C153 HydrophobicContact CD1-CB 3.73Å; L62-C153 HydrophobicContact CD2-CB 4.28Å; L62-C153 HydrophobicContact CG-CB 4.45Å; L146-C153 PolarHBondContact O-N 3.17Å; L146-C153 VanDerWaalsContact O-N 3.09Å; V148-C153 WeakPolarHBondContact CB-SG 3.32Å; V148-C153 WeakPolarHBondContact CG2-SG 3.23Å; I151-C153 HydrophobicContact CG2-CB 4.43Å; I151-C153 PolarHBondContact O-N 3.21Å; I151-C153 PolarHBondContact O-SG 3.21Å; C153-L174 CarbonylContact O-C 3.56Å; C153-L174 VanDerWaalsContact O-CA 3.3Å; C153-L174 WeakPolarHBondContact O-CA 3.23Å; C153-R175 PolarHBondContact O-N 2.93Å; C153-F176 HydrophobicContact CB-CE2 3.9Å
154	I	95.4	Very high	93.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.6	175.6	-60.3	159.1	0	0	0	108.4	Q81 V84 A85 V145 L146 V148 Y172	Q81-I154 WeakPolarHBondContact O-CD1 3.5Å; V84-I154 HydrophobicContact CB-CD1 4.09Å; V84-I154 HydrophobicContact CG1-CD1 3.85Å; V84-I154 HydrophobicContact CG1-CG1 4.45Å; V84-I154 HydrophobicContact CG1-CG2 4.13Å; A85-I154 HydrophobicContact CB-CD1 4.18Å; V145-I154 CarbonylContact C-O 3.53Å; V145-I154 WeakPolarHBondContact CA-O 3.38Å; L146-I154 HydrophobicContact CB-CB 4.22Å; L146-I154 HydrophobicContact CD1-CG2 4.49Å; L146-I154 PolarHBondContact N-O 3.17Å; L146-I154 PolarHBondContact O-N 2.86Å; V148-I154 HydrophobicContact CG2-CD1 3.75Å; I154-Y172 HydrophobicContact CG2-CD1 3.85Å; I154-Y172 HydrophobicContact CG2-CG 4.4Å
155	I	96.3	Very high	92.8	Very high	58 Å²	58	28.7 Å²	28.7	30%	0.297	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128	164	-58.2	172.1	0	0	0	107.2	Y172 S173 R175	I155-Y172 CarbonylContact O-C 3.34Å; I155-Y172 WeakPolarHBondContact O-CA 3.5Å; I155-S173 PolarHBondContact N-O 2.76Å; I155-S173 PolarHBondContact O-N 3.44Å; I155-R175 HydrophobicContact CD1-CG 4.35Å; I155-R175 HydrophobicContact CG1-CB 4.28Å; I155-R175 HydrophobicContact CG1-CG 4.3Å
156	A	97.1	Very high	92.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.8	179.7	0	0	0	0	0	111.1	H143 M144 L146 Y158 T171 Y172	H143-A156 WeakPolarHBondContact CA-O 3.29Å; M144-A156 PolarHBondContact N-O 3.39Å; M144-A156 PolarHBondContact O-N 2.98Å; L146-A156 HydrophobicContact CD1-CB 3.91Å; L146-A156 HydrophobicContact CG-CB 4.12Å; A156-Y158 HydrophobicContact CB-CE1 3.81Å; A156-T171 CarbonylContact C-O 3.53Å; A156-T171 WeakPolarHBondContact CA-O 3.43Å; A156-Y172 HydrophobicContact CB-CD1 3.73Å; A156-Y172 HydrophobicContact CB-CE1 3.93Å
157	N	96.5	Very high	92.6	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.091	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.9	167.5	-59	6.8	0	0	0	109.5	E141 V142 H143 R170 T171	E141-N157 PolarHBondContact OE2-ND2 2.74Å; V142-N157 CarbonylContact O-C 3.6Å; V142-N157 VanDerWaalsContact O-CA 3.23Å; V142-N157 WeakPolarHBondContact O-CA 3.39Å; H143-N157 PolarHBondContact CE1-ND2 2.82Å; H143-N157 VanDerWaalsContact CE1-ND2 3.34Å; H143-N157 PolarHBondContact ND1-ND2 3.26Å; H143-N157 PolarHBondContact ND1-OD1 2.94Å; N157-R170 CarbonylContact O-C 3.47Å; N157-R170 WeakPolarHBondContact O-CA 3.34Å; N157-T171 PolarHBondContact N-O 3.34Å; N157-T171 PolarHBondContact O-N 2.71Å
158	Y	95.8	Very high	92.7	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	176.7	-49.3	-36	0	0	0	111.4	E141 V142 M144 A156 R170 Y172 D432	E141-Y158 VanDerWaalsContact CA-O 3.3Å; E141-Y158 WeakPolarHBondContact CA-O 3.3Å; V142-Y158 HydrophobicContact CG1-CD2 4.43Å; V142-Y158 PolarHBondContact N-O 2.99Å; V142-Y158 PolarHBondContact O-N 3.07Å; M144-Y158 HydrophobicContact SD-CD2 4.19Å; M144-Y158 HydrophobicContact SD-CE2 3.56Å; M144-Y158 VanDerWaalsContact SD-CE2 3.56Å; A156-Y158 HydrophobicContact CB-CE1 3.81Å; Y158-R170 HydrophobicContact CD1-CB 3.83Å; Y158-R170 HydrophobicContact CD1-CG 3.49Å; Y158-R170 VanDerWaalsContact CD1-CG 3.49Å; Y158-R170 HydrophobicContact CE1-CB 4.11Å; Y158-R170 HydrophobicContact CE1-CG 3.88Å; Y158-R170 HydrophobicContact CG-CG 4.32Å; Y158-R170 PolarHBondContact OH-NH1 3.03Å; Y158-Y172 HydrophobicContact CE1-CE1 4.21Å; Y158-D432 WeakPolarHBondContact CE2-OD2 3.49Å; Y158-D432 PolarHBondContact OH-OD2 3.29Å
159	A	95.7	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.5	177.1	0	0	0	0	0	111.2	W130 T139 E141 H168 R169	W130-A159 HydrophobicContact CD2-CB 4.22Å; W130-A159 HydrophobicContact CE3-CB 3.76Å; W130-A159 HydrophobicContact CZ3-CB 4.37Å; W130-A159 WeakPolarHBondContact CZ3-O 3.37Å; T139-A159 HydrophobicContact CG2-CB 4.12Å; E141-A159 HydrophobicContact CG-CB 4.33Å; A159-H168 VanDerWaalsContact O-CA 3.32Å; A159-H168 WeakPolarHBondContact O-CA 3.3Å; A159-R169 HydrophobicContact CB-CB 4.45Å; A159-R169 PolarHBondContact N-O 2.9Å; A159-R169 PolarHBondContact O-N 2.88Å
160	H	93.8	Very high	93.5	Very high	32 Å²	32	19.4 Å²	19.4	15%	0.148	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.6	177.6	-73.4	89.1	0	0	0	111.5	W130 K131 H168 L430 S431	W130-H160 CarbonylContact C-O 3.54Å; W130-H160 WeakPolarHBondContact CA-O 3.47Å; W130-H160 VanDerWaalsContact CE3-C 3.42Å; K131-H160 HydrophobicContact CD-CB 3.92Å; K131-H160 HydrophobicContact CG-CB 4.16Å; K131-H160 PolarHBondContact N-O 2.91Å; H160-H168 AromaticContact CD2-CD2 3.4Å; H160-H168 PolarHBondContact CD2-CD2 3.37Å; H160-H168 AromaticContact CD2-NE2 3.36Å; H160-H168 PolarHBondContact CD2-NE2 3.42Å; H160-H168 AromaticContact NE2-CD2 3.96Å; H160-H168 AromaticContact NE2-NE2 3.61Å; H160-L430 PolarHBondContact CE1-O 2.84Å; H160-S431 WeakPolarHBondContact CE1-CB 3.28Å; H160-S431 PolarHBondContact CE1-OG 2.83Å; H160-S431 WeakPolarHBondContact NE2-CB 3.38Å
161	S	93.8	Very high	94	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-63.9	146.4	168	-177.1	0	0	0	0	111.6	L129 K131 L163 I164 F167 M224	L129-S161 WeakPolarHBondContact O-CA 3.21Å; L129-S161 PolarHBondContact O-OG 2.98Å; K131-S161 WeakPolarHBondContact CE-O 3.45Å; K131-S161 WeakPolarHBondContact CG-O 3.26Å; S161-L163 PolarHBondContact OG-N 3.43Å; S161-I164 WeakPolarHBondContact CB-O 3.42Å; S161-F167 WeakPolarHBondContact CB-O 3.46Å; S161-F167 PolarHBondContact N-O 2.91Å; S161-M224 WeakPolarHBondContact OG-CE 3.1Å
162	A	90.9	Very high	94.4	Very high	10 Å²	10	14.1 Å²	14.1	8%	0.083	7%	0.071	C	C	.	.	S	Bend	trans	-88.3	-3.9	169.4	0	0	0	0	0	113.2	L129 K131 P202 L204	L129-A162 HydrophobicContact CD2-CB 3.8Å; L129-A162 HydrophobicContact CG-CB 3.93Å; L129-A162 PolarHBondContact O-N 2.84Å; K131-A162 HydrophobicContact CG-CB 4.14Å; A162-P202 WeakPolarHBondContact O-CG 3.44Å; A162-L204 VanDerWaalsContact O-CD1 3.26Å; A162-L204 WeakPolarHBondContact O-CD1 3.32Å
163	L	90.9	Very high	94.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-92.2	-44.1	177.1	-59.5	-176.5	0	0	0	112.4	L129 S161 P202 L204 L212 L217 Q220 M224 I258	L129-L163 HydrophobicContact CB-CD2 4.46Å; L129-L163 HydrophobicContact CB-CG 4.31Å; L129-L163 HydrophobicContact CD2-CD2 3.78Å; L129-L163 HydrophobicContact CD2-CG 4.4Å; S161-L163 PolarHBondContact OG-N 3.43Å; L163-P202 WeakPolarHBondContact O-CD 3.4Å; L163-P202 WeakPolarHBondContact O-CG 3.36Å; L163-L204 HydrophobicContact CD2-CD1 4.12Å; L163-L204 HydrophobicContact CD2-CD2 4Å; L163-L212 HydrophobicContact CD2-CD2 3.98Å; L163-L217 HydrophobicContact CD1-CD1 4Å; L163-L217 HydrophobicContact CD2-CD1 3.94Å; L163-Q220 HydrophobicContact CD1-CB 3.79Å; L163-Q220 HydrophobicContact CD1-CG 4.4Å; L163-M224 HydrophobicContact CB-CE 4.47Å; L163-M224 HydrophobicContact CD1-CE 3.98Å; L163-I258 WeakPolarHBondContact O-CD1 3.32Å
164	I	90.3	Very high	94.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.			trans	-141.4	138.4	176.9	59	-178.6	0	0	0	109.1	S161 T166 F167 L221 M224 F225	S161-I164 WeakPolarHBondContact CB-O 3.42Å; I164-T166 VanDerWaalsContact C-N 3.27Å; I164-T166 PolarHBondContact O-N 2.95Å; I164-F167 HydrophobicContact CD1-CB 3.97Å; I164-F167 HydrophobicContact CG1-CB 3.82Å; I164-L221 HydrophobicContact CD1-CD2 4.5Å; I164-L221 HydrophobicContact CG2-CD2 4.07Å; I164-M224 HydrophobicContact CD1-CB 4.08Å; I164-M224 HydrophobicContact CD1-SD 3.79Å; I164-M224 HydrophobicContact CG1-SD 3.84Å; I164-F225 HydrophobicContact CD1-CD2 4.37Å; I164-F225 HydrophobicContact CD1-CE2 3.52Å; I164-F225 HydrophobicContact CD1-CZ 3.75Å
165	S	88	Confident	94.5	Very high	25 Å²	25	15.6 Å²	15.6	18%	0.175	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.3	-174.5	66.9	0	0	0	0	114.4	H168 P200	S165-H168 PolarHBondContact O-CD2 3.38Å; S165-H168 PolarHBondContact O-NE2 2.68Å; S165-P200 PolarHBondContact N-O 3.43Å; S165-P200 WeakPolarHBondContact OG-CB 3.29Å; S165-P200 VanDerWaalsContact OG-CD 3.3Å; S165-P200 WeakPolarHBondContact OG-CD 3.3Å; S165-P200 VanDerWaalsContact OG-CG 3.29Å; S165-P200 WeakPolarHBondContact OG-CG 3.28Å
166	T	91.2	Very high	93.9	Very high	6 Å²	6	17.1 Å²	17.1	4%	0.037	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.5	-175.1	54.1	0	0	0	0	114.4	I164 N187 V188 L190 L199	I164-T166 VanDerWaalsContact C-N 3.27Å; I164-T166 PolarHBondContact O-N 2.95Å; T166-N187 WeakPolarHBondContact CB-OD1 3.45Å; T166-N187 WeakPolarHBondContact O-CA 3.25Å; T166-N187 PolarHBondContact OG1-OD1 3.36Å; T166-V188 VanDerWaalsContact CB-O 3.29Å; T166-V188 WeakPolarHBondContact CB-O 3.36Å; T166-V188 WeakPolarHBondContact CG2-O 3.44Å; T166-V188 PolarHBondContact O-N 3.06Å; T166-L190 HydrophobicContact CG2-CB 4.17Å; T166-L199 HydrophobicContact CG2-CD2 3.92Å
167	F	95.3	Very high	93.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.4	178.5	-173.5	-103.7	0	0	0	111.9	N108 Y128 W130 S161 I164 Y185 L186 N187 M224	N108-F167 HydrophobicContact CB-CE2 4.43Å; Y128-F167 HydrophobicContact CD1-CE1 4.19Å; Y128-F167 AromaticContact CD2-CE1 3.87Å; Y128-F167 HydrophobicContact CD2-CE1 3.87Å; Y128-F167 HydrophobicContact CD2-CZ 4.31Å; Y128-F167 AromaticContact CE1-CE1 3.99Å; Y128-F167 HydrophobicContact CE1-CE1 3.99Å; Y128-F167 HydrophobicContact CE1-CZ 4.3Å; Y128-F167 AromaticContact CE2-CE1 3.61Å; Y128-F167 HydrophobicContact CE2-CE1 3.61Å; Y128-F167 AromaticContact CE2-CZ 3.61Å; Y128-F167 HydrophobicContact CE2-CZ 3.61Å; Y128-F167 HydrophobicContact CG-CE1 4.13Å; Y128-F167 AromaticContact CZ-CE1 3.68Å; Y128-F167 AromaticContact CZ-CZ 3.61Å; W130-F167 AromaticContact CH2-CD1 4Å; W130-F167 HydrophobicContact CH2-CD1 4Å; W130-F167 AromaticContact CH2-CE1 3.73Å; W130-F167 HydrophobicContact CH2-CE1 3.73Å; W130-F167 HydrophobicContact CZ2-CE1 4.41Å; W130-F167 HydrophobicContact CZ3-CD1 4.41Å; S161-F167 WeakPolarHBondContact CB-O 3.46Å; S161-F167 PolarHBondContact N-O 2.91Å; I164-F167 HydrophobicContact CD1-CB 3.97Å; I164-F167 HydrophobicContact CG1-CB 3.82Å; F167-Y185 HydrophobicContact CE1-CD1 4.41Å; F167-Y185 HydrophobicContact CZ-CD1 4.16Å; F167-L186 WeakPolarHBondContact CA-O 3.21Å; F167-N187 HydrophobicContact CD2-CB 3.95Å; F167-M224 HydrophobicContact CB-CG 4.2Å; F167-M224 HydrophobicContact CB-SD 4.07Å; F167-M224 HydrophobicContact CD1-CE 3.73Å; F167-M224 HydrophobicContact CD1-CG 3.65Å; F167-M224 HydrophobicContact CD1-SD 3.92Å; F167-M224 HydrophobicContact CD2-CB 3.99Å; F167-M224 HydrophobicContact CD2-CG 3.85Å; F167-M224 HydrophobicContact CE1-CE 4.1Å; F167-M224 HydrophobicContact CE1-CG 3.86Å; F167-M224 HydrophobicContact CE2-CB 4.32Å; F167-M224 HydrophobicContact CE2-CG 4.06Å; F167-M224 HydrophobicContact CG-CB 4.13Å; F167-M224 HydrophobicContact CG-CE 4.42Å; F167-M224 HydrophobicContact CG-CG 3.63Å; F167-M224 HydrophobicContact CG-SD 4.02Å; F167-M224 HydrophobicContact CZ-CG 4.05Å
168	H	95.8	Very high	92.7	Very high	23 Å²	23	20.8 Å²	20.8	11%	0.106	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.4	-176	-48.1	154.1	0	0	0	111.8	W78 A159 H160 S165 Y185 L186	W78-H168 HydrophobicContact CH2-CB 3.96Å; W78-H168 HydrophobicContact CZ2-CB 3.9Å; W78-H168 AromaticContact CZ2-ND1 3.87Å; A159-H168 VanDerWaalsContact O-CA 3.32Å; A159-H168 WeakPolarHBondContact O-CA 3.3Å; H160-H168 AromaticContact CD2-CD2 3.4Å; H160-H168 PolarHBondContact CD2-CD2 3.37Å; H160-H168 AromaticContact CD2-NE2 3.36Å; H160-H168 PolarHBondContact CD2-NE2 3.42Å; H160-H168 AromaticContact NE2-CD2 3.96Å; H160-H168 AromaticContact NE2-NE2 3.61Å; S165-H168 PolarHBondContact O-CD2 3.38Å; S165-H168 PolarHBondContact O-NE2 2.68Å; H168-Y185 WeakPolarHBondContact O-CA 3.48Å; H168-L186 PolarHBondContact N-O 3.26Å; H168-L186 PolarHBondContact O-N 2.86Å
169	R	97.5	Very high	92.5	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.1	163.3	173.6	-177.5	81.2	-166.2	6	108.4	R123 D126 W130 E141 A159 T171 F183 Y185	R123-R169 PolarHBondContact O-NH1 3.07Å; R123-R169 PolarHBondContact O-NH2 3.21Å; D126-R169 IonicContact OD1-NH1 2.68Å; D126-R169 WeakPolarHBondContact OD2-CD 3.41Å; D126-R169 IonicContact OD2-CZ 2.76Å; D126-R169 IonicContact OD2-NH1 3.48Å; D126-R169 PolarHBondContact OD2-NH1 2.91Å; W130-R169 HydrophobicContact CE3-CB 4.42Å; W130-R169 HydrophobicContact CH2-CB 3.35Å; W130-R169 HydrophobicContact CZ2-CB 3.76Å; W130-R169 HydrophobicContact CZ3-CB 3.7Å; W130-R169 VanDerWaalsContact NE1-NH1 3.16Å; E141-R169 IonicContact OE1-CZ 2.65Å; E141-R169 IonicContact OE1-NE 2.71Å; E141-R169 IonicContact OE1-NH2 3.54Å; E141-R169 PolarHBondContact OE1-NH2 3.21Å; A159-R169 HydrophobicContact CB-CB 4.45Å; A159-R169 PolarHBondContact N-O 2.9Å; A159-R169 PolarHBondContact O-N 2.88Å; R169-T171 HydrophobicContact CG-CG2 3.91Å; R169-F183 HydrophobicContact CG-CD1 4.33Å; R169-Y185 HydrophobicContact CB-CD1 3.97Å; R169-Y185 HydrophobicContact CB-CE1 3.9Å; R169-Y185 HydrophobicContact CG-CD1 4.13Å; R169-Y185 HydrophobicContact CG-CE1 3.68Å
170	R	97.6	Very high	92.5	Very high	22 Å²	22	23.3 Å²	23.3	8%	0.083	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.1	168.1	-59.1	-170.3	175.5	-140	-12.8	108.6	W78 N157 Y158 Y172 H184 D432	W78-R170 HydrophobicContact CE3-CG 4.16Å; W78-R170 HydrophobicContact CH2-CB 4.31Å; W78-R170 HydrophobicContact CH2-CG 3.54Å; W78-R170 HydrophobicContact CZ2-CG 4.01Å; W78-R170 HydrophobicContact CZ3-CB 3.97Å; W78-R170 HydrophobicContact CZ3-CG 3.62Å; N157-R170 CarbonylContact O-C 3.47Å; N157-R170 WeakPolarHBondContact O-CA 3.34Å; Y158-R170 HydrophobicContact CD1-CB 3.83Å; Y158-R170 HydrophobicContact CD1-CG 3.49Å; Y158-R170 VanDerWaalsContact CD1-CG 3.49Å; Y158-R170 HydrophobicContact CE1-CB 4.11Å; Y158-R170 HydrophobicContact CE1-CG 3.88Å; Y158-R170 HydrophobicContact CG-CG 4.32Å; Y158-R170 PolarHBondContact OH-NH1 3.03Å; R170-Y172 HydrophobicContact CB-CD2 4.46Å; R170-Y172 HydrophobicContact CB-CE2 3.55Å; R170-Y172 WeakPolarHBondContact CD-OH 3.48Å; R170-H184 PolarHBondContact N-O 2.9Å; R170-H184 PolarHBondContact O-N 2.87Å; R170-D432 IonicContact CZ-OD1 3.71Å; R170-D432 IonicContact NH1-OD1 2.69Å; R170-D432 PolarHBondContact NH1-OD1 3.47Å; R170-D432 IonicContact NH1-OD2 3.98Å; R170-D432 IonicContact NH2-OD1 2.68Å; R170-D432 PolarHBondContact NH2-OD1 3.17Å
171	T	97.6	Very high	92.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133	175.9	82.2	0	0	0	0	110.2	R123 A156 N157 R169 L182 F183	R123-T171 PolarHBondContact NE-OG1 2.88Å; R123-T171 PolarHBondContact NH2-OG1 3.05Å; A156-T171 CarbonylContact C-O 3.53Å; A156-T171 WeakPolarHBondContact CA-O 3.43Å; N157-T171 PolarHBondContact N-O 3.34Å; N157-T171 PolarHBondContact O-N 2.71Å; R169-T171 HydrophobicContact CG-CG2 3.91Å; T171-L182 CarbonylContact C-O 3.48Å; T171-L182 WeakPolarHBondContact CA-O 3.37Å; T171-F183 HydrophobicContact CG2-CD1 3.51Å; T171-F183 HydrophobicContact CG2-CD2 4.32Å; T171-F183 HydrophobicContact CG2-CE1 3.58Å; T171-F183 HydrophobicContact CG2-CE2 4.37Å; T171-F183 HydrophobicContact CG2-CG 3.9Å; T171-F183 HydrophobicContact CG2-CZ 4.02Å
172	Y	97.8	Very high	92.9	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.02	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	-173.3	-53.9	-92.2	0	0	0	111.1	V84 L146 I154 I155 A156 Y158 R170 V181 L182	V84-Y172 HydrophobicContact CG1-CD1 3.77Å; V84-Y172 HydrophobicContact CG1-CD2 4.2Å; V84-Y172 HydrophobicContact CG1-CE1 4.42Å; V84-Y172 HydrophobicContact CG1-CG 3.6Å; V84-Y172 HydrophobicContact CG2-CD1 4.47Å; V84-Y172 HydrophobicContact CG2-CD2 4.45Å; V84-Y172 HydrophobicContact CG2-CE1 4.36Å; V84-Y172 HydrophobicContact CG2-CE2 4.34Å; V84-Y172 HydrophobicContact CG2-CG 4.49Å; L146-Y172 HydrophobicContact CD1-CD1 4.19Å; L146-Y172 HydrophobicContact CD1-CE1 3.83Å; I154-Y172 HydrophobicContact CG2-CD1 3.85Å; I154-Y172 HydrophobicContact CG2-CG 4.4Å; I155-Y172 CarbonylContact O-C 3.34Å; I155-Y172 WeakPolarHBondContact O-CA 3.5Å; A156-Y172 HydrophobicContact CB-CD1 3.73Å; A156-Y172 HydrophobicContact CB-CE1 3.93Å; Y158-Y172 HydrophobicContact CE1-CE1 4.21Å; R170-Y172 HydrophobicContact CB-CD2 4.46Å; R170-Y172 HydrophobicContact CB-CE2 3.55Å; R170-Y172 WeakPolarHBondContact CD-OH 3.48Å; Y172-V181 CarbonylContact O-C 3.51Å; Y172-V181 VanDerWaalsContact O-CA 3.32Å; Y172-V181 WeakPolarHBondContact O-CA 3.46Å; Y172-V181 WeakPolarHBondContact O-CG1 3.21Å; Y172-L182 HydrophobicContact CD2-CD2 3.88Å; Y172-L182 HydrophobicContact CE2-CD2 4.45Å; Y172-L182 PolarHBondContact N-O 2.63Å; Y172-L182 PolarHBondContact O-N 3.39Å
173	S	96.8	Very high	93.2	Very high	7 Å²	7	21.3 Å²	21.3	5%	0.049	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.9	169.3	56.4	0	0	0	0	110.7	I155 V180	I155-S173 PolarHBondContact N-O 2.76Å; I155-S173 PolarHBondContact O-N 3.44Å; S173-V180 VanDerWaalsContact CB-O 3.27Å; S173-V180 WeakPolarHBondContact CB-O 3.44Å
174	L	94.5	Very high	93.5	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	142.3	177.4	-61.8	171.2	0	0	0	110.5	L88 L89 C153 P178	L88-L174 HydrophobicContact CB-CD1 4.29Å; L88-L174 HydrophobicContact CB-CD2 4.15Å; L88-L174 HydrophobicContact CB-CG 3.96Å; L88-L174 HydrophobicContact CD1-CD2 4.11Å; L88-L174 HydrophobicContact CD1-CG 4.13Å; L89-L174 HydrophobicContact CD2-CD1 3.79Å; L89-L174 HydrophobicContact CG-CD1 4.28Å; C153-L174 CarbonylContact O-C 3.56Å; C153-L174 VanDerWaalsContact O-CA 3.3Å; C153-L174 WeakPolarHBondContact O-CA 3.23Å; L174-P178 WeakPolarHBondContact O-CA 3.38Å; L174-P178 WeakPolarHBondContact O-CB 3.31Å
175	R	91	Very high	93.9	Very high	106 Å²	106	21.3 Å²	21.3	40%	0.4	11%	0.108	S	C	.	.	S	Bend	trans	-68.8	-35.9	-176	-172.2	177.9	-179.5	91.2	-10.3	112.7	E152 C153 I155	E152-R175 IonicContact OE2-CZ 2.68Å; E152-R175 IonicContact OE2-NH2 3.83Å; C153-R175 PolarHBondContact O-N 2.93Å; I155-R175 HydrophobicContact CD1-CG 4.35Å; I155-R175 HydrophobicContact CG1-CB 4.28Å; I155-R175 HydrophobicContact CG1-CG 4.3Å
176	F	84.4	Confident	94.3	Very high	91 Å²	91	20.4 Å²	20.4	40%	0.399	10%	0.101	S	C	.	.	S	Bend	trans	-91.2	-50.1	-170.2	-50	-74.2	0	0	0	112.7	D57 P59 E152 C153 P178	D57-F176 WeakPolarHBondContact O-CB 3.47Å; P59-F176 HydrophobicContact CG-CD2 3.95Å; P59-F176 HydrophobicContact CG-CE2 3.55Å; P59-F176 HydrophobicContact CG-CZ 3.9Å; E152-F176 VanDerWaalsContact O-CZ 3.3Å; E152-F176 WeakPolarHBondContact O-CZ 3.42Å; C153-F176 HydrophobicContact CB-CE2 3.9Å; F176-P178 VanDerWaalsContact O-CD 3.31Å; F176-P178 WeakPolarHBondContact O-CD 3.28Å
177	N	82.3	Confident	94.5	Very high	55 Å²	55	20.2 Å²	20.2	29%	0.294	10%	0.1	S	C	.	.	S	Bend	trans	-112.2	87.3	164.1	-177.8	-5.7	0	0	0	110.1	C54 S179	C54-N177 PolarHBondContact SG-ND2 3.34Å; N177-S179 PolarHBondContact O-N 2.85Å; N177-S179 VanDerWaalsContact O-N 3.14Å; N177-S179 WeakPolarHBondContact OD1-CB 3.4Å; N177-S179 PolarHBondContact OD1-N 3.15Å; N177-S179 PolarHBondContact OD1-OG 2.88Å
178	P	86.6	Confident	94.3	Very high	39 Å²	39	22.5 Å²	22.5	25%	0.253	11%	0.114	S	C	.	.			trans	-77.9	6.5	-174.9	33	-38.2	0	0	0	114	R116 L174 F176 V180	R116-P178 PolarHBondContact NH1-O 3.23Å; R116-P178 PolarHBondContact NH2-O 3.37Å; L174-P178 WeakPolarHBondContact O-CA 3.38Å; L174-P178 WeakPolarHBondContact O-CB 3.31Å; F176-P178 VanDerWaalsContact O-CD 3.31Å; F176-P178 WeakPolarHBondContact O-CD 3.28Å; P178-V180 VanDerWaalsContact C-N 3.3Å; P178-V180 PolarHBondContact O-N 3.41Å
179	S	91.6	Very high	93.9	Very high	47 Å²	47	23.2 Å²	23.2	33%	0.329	12%	0.12	S	C	.	.			trans	-53.2	-37.7	-165.5	53.7	0	0	0	0	115.4	R116 N177	R116-S179 PolarHBondContact N-O 3.03Å; N177-S179 PolarHBondContact O-N 2.85Å; N177-S179 VanDerWaalsContact O-N 3.14Å; N177-S179 WeakPolarHBondContact OD1-CB 3.4Å; N177-S179 PolarHBondContact OD1-N 3.15Å; N177-S179 PolarHBondContact OD1-OG 2.88Å
180	V	95.5	Very high	93.3	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.4	173.1	-178.3	0	0	0	0	110.7	L88 A91 L98 F113 S173 P178	L88-V180 HydrophobicContact CD2-CG1 4.43Å; A91-V180 HydrophobicContact CB-CG1 3.9Å; L98-V180 HydrophobicContact CD2-CB 4.47Å; L98-V180 HydrophobicContact CD2-CG1 3.75Å; L98-V180 HydrophobicContact CD2-CG2 3.99Å; F113-V180 HydrophobicContact CB-CG1 4.27Å; F113-V180 HydrophobicContact CD1-CG1 4.12Å; S173-V180 VanDerWaalsContact CB-O 3.27Å; S173-V180 WeakPolarHBondContact CB-O 3.44Å; P178-V180 VanDerWaalsContact C-N 3.3Å; P178-V180 PolarHBondContact O-N 3.41Å
181	V	97.2	Very high	92.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.6	173.9	-169.3	0	0	0	0	109.5	F113 Y114 A119 Y172 F183	F113-V181 WeakPolarHBondContact CA-O 3.27Å; Y114-V181 PolarHBondContact N-O 3.1Å; Y114-V181 PolarHBondContact O-N 3.39Å; A119-V181 HydrophobicContact CB-CB 3.75Å; A119-V181 HydrophobicContact CB-CG1 4.27Å; A119-V181 HydrophobicContact CB-CG2 3.62Å; Y172-V181 CarbonylContact O-C 3.51Å; Y172-V181 VanDerWaalsContact O-CA 3.32Å; Y172-V181 WeakPolarHBondContact O-CA 3.46Å; Y172-V181 WeakPolarHBondContact O-CG1 3.21Å; V181-F183 HydrophobicContact CB-CD2 4.47Å; V181-F183 HydrophobicContact CB-CE2 4.01Å; V181-F183 HydrophobicContact CG1-CD2 3.98Å; V181-F183 HydrophobicContact CG1-CE2 3.57Å; V181-F183 HydrophobicContact CG1-CZ 4.47Å
182	L	97.7	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.6	170.5	-173.7	163	0	0	0	108.7	L87 L88 I111 F113 T171 Y172 H184	L87-L182 HydrophobicContact CB-CD1 3.78Å; L87-L182 HydrophobicContact CD1-CD1 4.13Å; L88-L182 HydrophobicContact CD2-CB 3.77Å; L88-L182 HydrophobicContact CG-CB 4.31Å; I111-L182 HydrophobicContact CG2-CD1 4.41Å; I111-L182 HydrophobicContact CG2-CD2 4.19Å; I111-L182 HydrophobicContact CG2-CG 4.13Å; F113-L182 HydrophobicContact CD1-CB 4.05Å; F113-L182 HydrophobicContact CD1-CD1 4.45Å; F113-L182 HydrophobicContact CD1-CG 4.22Å; F113-L182 HydrophobicContact CE1-CB 4.02Å; F113-L182 HydrophobicContact CE1-CD1 3.61Å; F113-L182 HydrophobicContact CE1-CG 3.84Å; F113-L182 HydrophobicContact CZ-CD1 3.92Å; F113-L182 HydrophobicContact CZ-CG 4.26Å; T171-L182 CarbonylContact C-O 3.48Å; T171-L182 WeakPolarHBondContact CA-O 3.37Å; Y172-L182 HydrophobicContact CD2-CD2 3.88Å; Y172-L182 HydrophobicContact CE2-CD2 4.45Å; Y172-L182 PolarHBondContact N-O 2.63Å; Y172-L182 PolarHBondContact O-N 3.39Å; L182-H184 HydrophobicContact CD2-CB 4.1Å
183	F	98.1	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.7	170.9	-74.9	-121.6	0	0	0	109	I111 I112 Y114 A119 A122 R123 R169 T171 V181 Y185	I111-F183 CarbonylContact C-O 3.5Å; I111-F183 VanDerWaalsContact CA-O 3.29Å; I111-F183 WeakPolarHBondContact CA-O 3.32Å; I112-F183 PolarHBondContact N-O 3.34Å; I112-F183 PolarHBondContact O-N 2.84Å; Y114-F183 AromaticContact CD2-CD2 3.58Å; Y114-F183 HydrophobicContact CD2-CD2 3.58Å; Y114-F183 AromaticContact CD2-CE2 3.67Å; Y114-F183 HydrophobicContact CD2-CE2 3.67Å; Y114-F183 HydrophobicContact CD2-CG 4.21Å; Y114-F183 HydrophobicContact CD2-CZ 4.34Å; Y114-F183 HydrophobicContact CE2-CD2 4.1Å; Y114-F183 HydrophobicContact CE2-CE2 4.34Å; Y114-F183 HydrophobicContact CE2-CG 4.27Å; A119-F183 HydrophobicContact CB-CE2 3.77Å; A119-F183 HydrophobicContact CB-CZ 4.07Å; A119-F183 WeakPolarHBondContact O-CZ 3.46Å; A122-F183 HydrophobicContact CB-CE1 4.21Å; A122-F183 HydrophobicContact CB-CZ 4.08Å; R123-F183 HydrophobicContact CG-CE1 3.76Å; R123-F183 HydrophobicContact CG-CZ 3.79Å; R169-F183 HydrophobicContact CG-CD1 4.33Å; T171-F183 HydrophobicContact CG2-CD1 3.51Å; T171-F183 HydrophobicContact CG2-CD2 4.32Å; T171-F183 HydrophobicContact CG2-CE1 3.58Å; T171-F183 HydrophobicContact CG2-CE2 4.37Å; T171-F183 HydrophobicContact CG2-CG 3.9Å; T171-F183 HydrophobicContact CG2-CZ 4.02Å; V181-F183 HydrophobicContact CB-CD2 4.47Å; V181-F183 HydrophobicContact CB-CE2 4.01Å; V181-F183 HydrophobicContact CG1-CD2 3.98Å; V181-F183 HydrophobicContact CG1-CE2 3.57Å; V181-F183 HydrophobicContact CG1-CZ 4.47Å; F183-Y185 HydrophobicContact CB-CE2 3.8Å; F183-Y185 HydrophobicContact CD1-CE2 4.23Å; F183-Y185 WeakPolarHBondContact CD1-OH 3.27Å
184	H	97.6	Very high	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.7	175.3	-165.1	169.5	0	0	0	108.9	K75 I77 W78 S110 I111 R170 L182	K75-H184 PolarHBondContact O-NE2 2.85Å; I77-H184 PolarHBondContact O-CE1 2.89Å; W78-H184 HydrophobicContact CE3-CB 4.38Å; W78-H184 AromaticContact CE3-CE1 3.97Å; W78-H184 AromaticContact CE3-CG 3.85Å; W78-H184 AromaticContact CE3-ND1 3.61Å; W78-H184 HydrophobicContact CZ3-CB 4Å; W78-H184 AromaticContact CZ3-CG 3.76Å; S110-H184 WeakPolarHBondContact O-CA 3.32Å; I111-H184 HydrophobicContact CG1-CB 4.33Å; R170-H184 PolarHBondContact N-O 2.9Å; R170-H184 PolarHBondContact O-N 2.87Å; L182-H184 HydrophobicContact CD2-CB 4.1Å
185	Y	98.1	Very high	89.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.1	177.4	-62.4	-96.2	0	0	0	109.1	P106 G109 S110 I112 D126 Y128 W130 F167 H168 R169 F183	P106-Y185 HydrophobicContact CB-CD1 4.35Å; P106-Y185 HydrophobicContact CB-CD2 3.56Å; P106-Y185 HydrophobicContact CB-CE1 4.46Å; P106-Y185 HydrophobicContact CB-CE2 3.7Å; P106-Y185 HydrophobicContact CB-CG 3.91Å; P106-Y185 HydrophobicContact CG-CD2 4.06Å; P106-Y185 HydrophobicContact CG-CE1 4.28Å; P106-Y185 HydrophobicContact CG-CE2 3.65Å; G109-Y185 CarbonylContact C-O 3.47Å; G109-Y185 WeakPolarHBondContact CA-O 3.37Å; G109-Y185 PolarHBondContact N-O 2.9Å; S110-Y185 PolarHBondContact N-O 3.31Å; S110-Y185 PolarHBondContact O-N 3.24Å; I112-Y185 HydrophobicContact CD1-CE2 4.24Å; D126-Y185 HydrophobicContact CB-CE1 4.45Å; D126-Y185 WeakPolarHBondContact CB-OH 3.23Å; D126-Y185 WeakPolarHBondContact OD2-CE1 3.48Å; D126-Y185 PolarHBondContact OD2-OH 3.01Å; Y128-Y185 HydrophobicContact CD2-CD1 4.32Å; Y128-Y185 HydrophobicContact CD2-CE1 4.23Å; Y128-Y185 HydrophobicContact CE2-CD1 4.2Å; Y128-Y185 HydrophobicContact CE2-CE1 4.46Å; W130-Y185 HydrophobicContact CH2-CD1 4.23Å; W130-Y185 HydrophobicContact CH2-CE1 4.34Å; W130-Y185 HydrophobicContact CZ2-CD1 4.24Å; W130-Y185 AromaticContact CZ2-CE1 3.92Å; W130-Y185 HydrophobicContact CZ2-CE1 3.92Å; F167-Y185 HydrophobicContact CE1-CD1 4.41Å; F167-Y185 HydrophobicContact CZ-CD1 4.16Å; H168-Y185 WeakPolarHBondContact O-CA 3.48Å; R169-Y185 HydrophobicContact CB-CD1 3.97Å; R169-Y185 HydrophobicContact CB-CE1 3.9Å; R169-Y185 HydrophobicContact CG-CD1 4.13Å; R169-Y185 HydrophobicContact CG-CE1 3.68Å; F183-Y185 HydrophobicContact CB-CE2 3.8Å; F183-Y185 HydrophobicContact CD1-CE2 4.23Å; F183-Y185 WeakPolarHBondContact CD1-OH 3.27Å
186	L	96.8	Very high	89.7	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.6	-176.8	-167.1	65.8	0	0	0	111.9	W78 F167 H168 V188	W78-L186 HydrophobicContact CD2-CB 4.44Å; W78-L186 HydrophobicContact CD2-CD2 3.69Å; W78-L186 HydrophobicContact CE3-CB 4.15Å; W78-L186 HydrophobicContact CE3-CD2 4Å; W78-L186 HydrophobicContact CG-CD2 4.04Å; W78-L186 HydrophobicContact CH2-CB 3.45Å; W78-L186 VanDerWaalsContact CH2-CB 3.45Å; W78-L186 HydrophobicContact CH2-CD2 4.44Å; W78-L186 HydrophobicContact CZ2-CB 3.79Å; W78-L186 HydrophobicContact CZ2-CD2 4.19Å; W78-L186 HydrophobicContact CZ3-CB 3.66Å; W78-L186 HydrophobicContact CZ3-CD2 4.36Å; F167-L186 WeakPolarHBondContact CA-O 3.21Å; H168-L186 PolarHBondContact N-O 3.26Å; H168-L186 PolarHBondContact O-N 2.86Å; L186-V188 HydrophobicContact CD2-CG2 4.02Å; L186-V188 HydrophobicContact CG-CG2 4.22Å
187	N	94.8	Very high	89.7	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	101.6	168.4	-162.1	-11.5	0	0	0	107.9	N108 T166 F167 P189 M224 F225 F228	N108-N187 HydrophobicContact CB-CB 4.43Å; N108-N187 WeakPolarHBondContact OD1-CB 3.22Å; N108-N187 PolarHBondContact OD1-N 3.43Å; T166-N187 WeakPolarHBondContact CB-OD1 3.45Å; T166-N187 WeakPolarHBondContact O-CA 3.25Å; T166-N187 PolarHBondContact OG1-OD1 3.36Å; F167-N187 HydrophobicContact CD2-CB 3.95Å; N187-P189 WeakPolarHBondContact O-CD 3.3Å; N187-M224 VanDerWaalsContact CB-O 3.31Å; N187-M224 WeakPolarHBondContact CB-O 3.42Å; N187-M224 PolarHBondContact ND2-O 3.01Å; N187-F225 WeakPolarHBondContact ND2-CE1 3.47Å; N187-F228 HydrophobicContact CB-CD2 3.97Å; N187-F228 HydrophobicContact CB-CE2 4.14Å
188	V	90.6	Very high	89.9	Confident	48 Å²	48	29.4 Å²	29.4	29%	0.291	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-85.5	118.1	-176.1	-175.5	0	0	0	0	108.9	W78 T166 L186 L190	W78-V188 HydrophobicContact CZ2-CG2 3.84Å; T166-V188 VanDerWaalsContact CB-O 3.29Å; T166-V188 WeakPolarHBondContact CB-O 3.36Å; T166-V188 WeakPolarHBondContact CG2-O 3.44Å; T166-V188 PolarHBondContact O-N 3.06Å; L186-V188 HydrophobicContact CD2-CG2 4.02Å; L186-V188 HydrophobicContact CG-CG2 4.22Å; V188-L190 PolarHBondContact O-N 2.9Å
189	P	86.8	Confident	89.9	Confident	38 Å²	38	27.8 Å²	27.8	25%	0.247	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-65.6	120.7	177.8	-15	28.5	0	0	0	110.6	N187 L197 F228 P229 I232	N187-P189 WeakPolarHBondContact O-CD 3.3Å; P189-L197 HydrophobicContact CB-CD2 3.61Å; P189-F228 HydrophobicContact CB-CE1 4.49Å; P189-F228 HydrophobicContact CB-CE2 4.47Å; P189-F228 HydrophobicContact CB-CZ 3.81Å; P189-F228 HydrophobicContact CG-CE1 4.42Å; P189-F228 HydrophobicContact CG-CE2 4.13Å; P189-F228 HydrophobicContact CG-CZ 3.8Å; P189-P229 HydrophobicContact CG-CG 3.49Å; P189-P229 VanDerWaalsContact CG-CG 3.49Å; P189-I232 HydrophobicContact CB-CD1 3.61Å; P189-I232 HydrophobicContact CG-CD1 3.91Å
190	L	85.7	Confident	89.3	Confident	86 Å²	86	26.7 Å²	26.7	45%	0.45	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.2	171.2	-177.1	69.4	0	0	0	108.4	T166 V188 L197 C198 P200	T166-L190 HydrophobicContact CG2-CB 4.17Å; V188-L190 PolarHBondContact O-N 2.9Å; L190-L197 WeakPolarHBondContact O-CA 3.34Å; L190-C198 HydrophobicContact CD2-CB 4.19Å; L190-C198 HydrophobicContact CG-CB 4.36Å; L190-C198 PolarHBondContact O-N 3.05Å; L190-P200 HydrophobicContact CD2-CG 4.07Å
191	L	85.1	Confident	88.5	Confident	45 Å²	45	26.5 Å²	26.5	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.1	173.3	-70.2	171.5	0	0	0	110.2	K196 L197 I232 L241 F243	L191-K196 CarbonylContact C-O 3.44Å; L191-K196 WeakPolarHBondContact CA-O 3.44Å; L191-L197 HydrophobicContact CD2-CD2 3.93Å; L191-L197 HydrophobicContact CD2-CG 4.18Å; L191-I232 HydrophobicContact CD1-CG2 3.97Å; L191-L241 HydrophobicContact CD1-CD1 3.82Å; L191-L241 HydrophobicContact CD2-CD1 4.01Å; L191-F243 HydrophobicContact CD2-CE2 4.3Å; L191-F243 HydrophobicContact CD2-CZ 3.89Å
192	T	84.7	Confident	87.1	Confident	37 Å²	37	27.9 Å²	27.9	23%	0.227	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-80.1	165.7	164.2	72.8	0	0	0	0	110.5	E194 N195 K196 C198 L314	T192-E194 PolarHBondContact O-N 2.9Å; T192-E194 PolarHBondContact OG1-N 3.14Å; T192-N195 PolarHBondContact O-N 2.85Å; T192-K196 HydrophobicContact CG2-CB 4.36Å; T192-K196 PolarHBondContact N-O 2.77Å; T192-K196 PolarHBondContact OG1-N 3.27Å; T192-C198 HydrophobicContact CG2-CB 3.87Å; T192-L314 HydrophobicContact CG2-CD2 3.82Å
193	N	79.7	Confident	85.8	Confident	150 Å²	150	31.2 Å²	31.2	80%	0.802	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.1	173.2	-60.4	1.5	0	0	0	111.9	N195	N193-N195 PolarHBondContact O-N 2.97Å
194	E	79.5	Confident	84.7	Confident	41 Å²	41	31.7 Å²	31.7	19%	0.192	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	15.3	176.1	-47.7	-170.2	124.5	0	0	114.2	T192 K196 S746 D748	T192-E194 PolarHBondContact O-N 2.9Å; T192-E194 PolarHBondContact OG1-N 3.14Å; E194-K196 HydrophobicContact CB-CD 4.49Å; E194-K196 HydrophobicContact CB-CG 4.35Å; E194-K196 PolarHBondContact O-N 3.02Å; E194-K196 VanDerWaalsContact O-N 3.07Å; E194-K196 WeakPolarHBondContact OE2-CD 3.27Å; E194-K196 WeakPolarHBondContact OE2-CE 3.46Å; E194-K196 IonicContact OE2-NZ 3.93Å; E194-K196 PolarHBondContact OE2-NZ 3.33Å; E194-S746 PolarHBondContact OE1-OG 3.44Å; E194-D748 HydrophobicContact CG-CB 4.04Å
195	N	84.6	Confident	83.6	Confident	27 Å²	27	33.2 Å²	33.2	14%	0.144	19%	0.186	C	C	.	.	S	Bend	trans	60.2	12.4	-176.2	-65	-13.9	0	0	0	115.6	T192 N193 K234 Q239 L241	T192-N195 PolarHBondContact O-N 2.85Å; N193-N195 PolarHBondContact O-N 2.97Å; N195-K234 WeakPolarHBondContact OD1-CD 3.33Å; N195-K234 WeakPolarHBondContact OD1-CE 3.3Å; N195-K234 PolarHBondContact OD1-NZ 3.11Å; N195-Q239 PolarHBondContact ND2-OE1 2.8Å; N195-Q239 VanDerWaalsContact ND2-OE1 3.15Å; N195-L241 HydrophobicContact CB-CD1 3.75Å; N195-L241 HydrophobicContact CB-CD2 3.88Å; N195-L241 HydrophobicContact CB-CG 4.49Å
196	K	85.3	Confident	82.2	Confident	28 Å²	28	39.3 Å²	39.3	12%	0.122	21%	0.214	C	C	.	.			trans	-79.3	141.9	174.3	-60.7	173.6	179.9	165.4	0	109.7	L191 T192 E194 L314 I315 T316 E328	L191-K196 CarbonylContact C-O 3.44Å; L191-K196 WeakPolarHBondContact CA-O 3.44Å; T192-K196 HydrophobicContact CG2-CB 4.36Å; T192-K196 PolarHBondContact N-O 2.77Å; T192-K196 PolarHBondContact OG1-N 3.27Å; E194-K196 HydrophobicContact CB-CD 4.49Å; E194-K196 HydrophobicContact CB-CG 4.35Å; E194-K196 PolarHBondContact O-N 3.02Å; E194-K196 VanDerWaalsContact O-N 3.07Å; E194-K196 WeakPolarHBondContact OE2-CD 3.27Å; E194-K196 WeakPolarHBondContact OE2-CE 3.46Å; E194-K196 IonicContact OE2-NZ 3.93Å; E194-K196 PolarHBondContact OE2-NZ 3.33Å; K196-L314 HydrophobicContact CD-CB 4.38Å; K196-L314 HydrophobicContact CD-CD1 4.04Å; K196-I315 CarbonylContact C-O 3.56Å; K196-I315 WeakPolarHBondContact CA-O 3.32Å; K196-T316 HydrophobicContact CD-CG2 4.49Å; K196-T316 HydrophobicContact CG-CG2 4.35Å; K196-E328 IonicContact NZ-OE2 3.83Å
197	L	85.8	Confident	81.1	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.2	163.8	-82.5	170.8	0	0	0	109.3	P189 L190 L191 F228 I232 F243 L245 L314 I315	P189-L197 HydrophobicContact CB-CD2 3.61Å; L190-L197 WeakPolarHBondContact O-CA 3.34Å; L191-L197 HydrophobicContact CD2-CD2 3.93Å; L191-L197 HydrophobicContact CD2-CG 4.18Å; L197-F228 HydrophobicContact CD1-CE1 4.04Å; L197-F228 HydrophobicContact CD2-CZ 4.49Å; L197-I232 HydrophobicContact CD1-CD1 4.31Å; L197-I232 HydrophobicContact CD2-CD1 3.76Å; L197-I232 HydrophobicContact CG-CD1 4.35Å; L197-F243 HydrophobicContact CB-CE1 4.16Å; L197-F243 HydrophobicContact CD1-CB 4.2Å; L197-F243 HydrophobicContact CD1-CD1 3.62Å; L197-F243 HydrophobicContact CD1-CD2 3.86Å; L197-F243 HydrophobicContact CD1-CE1 3.87Å; L197-F243 HydrophobicContact CD1-CE2 4.1Å; L197-F243 HydrophobicContact CD1-CG 3.61Å; L197-F243 HydrophobicContact CD1-CZ 4.11Å; L197-F243 HydrophobicContact CG-CD1 3.99Å; L197-F243 HydrophobicContact CG-CD2 4.29Å; L197-F243 HydrophobicContact CG-CE1 3.68Å; L197-F243 HydrophobicContact CG-CE2 4.01Å; L197-F243 HydrophobicContact CG-CG 4.29Å; L197-F243 HydrophobicContact CG-CZ 3.7Å; L197-L245 HydrophobicContact CD1-CD1 4.48Å; L197-L314 CarbonylContact O-C 3.45Å; L197-L314 VanDerWaalsContact O-CA 3.26Å; L197-L314 WeakPolarHBondContact O-CA 3.44Å; L197-I315 HydrophobicContact CB-CB 4.08Å; L197-I315 HydrophobicContact CB-CD1 4.47Å; L197-I315 HydrophobicContact CB-CG1 4.15Å; L197-I315 PolarHBondContact N-O 2.79Å; L197-I315 PolarHBondContact O-N 3.29Å
198	C	86.4	Confident	80.2	Confident	11 Å²	11	43 Å²	43	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	176.4	-176.4	0	0	0	0	110	L190 T192 L314	L190-C198 HydrophobicContact CD2-CB 4.19Å; L190-C198 HydrophobicContact CG-CB 4.36Å; L190-C198 PolarHBondContact O-N 3.05Å; T192-C198 HydrophobicContact CG2-CB 3.87Å; C198-L314 HydrophobicContact CB-CD2 3.86Å
199	L	85.5	Confident	79.3	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	92.8	171.5	-64.3	173	0	0	0	108.2	T166 L201 F225 L250 L254 L313 I315	T166-L199 HydrophobicContact CG2-CD2 3.92Å; L199-L201 HydrophobicContact CB-CD2 4.44Å; L199-L201 WeakPolarHBondContact O-CD2 3.37Å; L199-L201 WeakPolarHBondContact O-CG 3.48Å; L199-L201 PolarHBondContact O-N 3.49Å; L199-F225 HydrophobicContact CD1-CE1 4.15Å; L199-F225 HydrophobicContact CD1-CZ 3.85Å; L199-F225 HydrophobicContact CD2-CE1 4.39Å; L199-F225 HydrophobicContact CD2-CZ 4.19Å; L199-L250 HydrophobicContact CD1-CD1 4.3Å; L199-L254 HydrophobicContact CD1-CD1 4.38Å; L199-L313 HydrophobicContact CB-CB 4.28Å; L199-L313 HydrophobicContact CD1-CD2 4.34Å; L199-L313 PolarHBondContact N-O 2.92Å; L199-L313 PolarHBondContact O-N 3.42Å; L199-I315 HydrophobicContact CD1-CD1 4.22Å
200	P	80.1	Confident	78.6	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.156	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	123.1	171.3	-19	29.2	0	0	0	110.4	S165 L190 P202 F312	S165-P200 PolarHBondContact N-O 3.43Å; S165-P200 WeakPolarHBondContact OG-CB 3.29Å; S165-P200 VanDerWaalsContact OG-CD 3.3Å; S165-P200 WeakPolarHBondContact OG-CD 3.3Å; S165-P200 VanDerWaalsContact OG-CG 3.29Å; S165-P200 WeakPolarHBondContact OG-CG 3.28Å; L190-P200 HydrophobicContact CD2-CG 4.07Å; P200-P202 VanDerWaalsContact O-CD 3.27Å; P200-P202 WeakPolarHBondContact O-CD 3.41Å; P200-F312 HydrophobicContact CB-CD1 3.74Å; P200-F312 HydrophobicContact CB-CE1 3.79Å; P200-F312 HydrophobicContact CG-CD1 3.83Å; P200-F312 HydrophobicContact CG-CE1 3.95Å
201	L	78.7	Confident	78.1	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.1	-176.2	-53.7	-173.2	0	0	0	109.4	L199 L254 V311 L313 L329	L199-L201 HydrophobicContact CB-CD2 4.44Å; L199-L201 WeakPolarHBondContact O-CD2 3.37Å; L199-L201 WeakPolarHBondContact O-CG 3.48Å; L199-L201 PolarHBondContact O-N 3.49Å; L201-L254 HydrophobicContact CD1-CD2 4.47Å; L201-L254 HydrophobicContact CD2-CD2 3.44Å; L201-L254 VanDerWaalsContact CD2-CD2 3.44Å; L201-V311 HydrophobicContact CB-CB 4.34Å; L201-V311 HydrophobicContact CD1-CG1 4.41Å; L201-V311 PolarHBondContact N-O 3.05Å; L201-L313 HydrophobicContact CD1-CB 4.25Å; L201-L313 HydrophobicContact CD2-CB 4.42Å; L201-L313 HydrophobicContact CG-CB 4.44Å; L201-L329 HydrophobicContact CD1-CD2 3.72Å
202	P	68.4	Low	78	Confident	29 Å²	29	48.9 Å²	48.9	19%	0.188	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-70.4	143.6	178.4	29.9	-36.7	0	0	0	112.2	A162 L163 P200 L204	A162-P202 WeakPolarHBondContact O-CG 3.44Å; L163-P202 WeakPolarHBondContact O-CD 3.4Å; L163-P202 WeakPolarHBondContact O-CG 3.36Å; P200-P202 VanDerWaalsContact O-CD 3.27Å; P200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-L204 PolarHBondContact O-N 3.28Å
203	N	68.6	Low	78.2	Confident	69 Å²	69	50.5 Å²	50.5	37%	0.369	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-73.2	117.8	166	-75.8	-55.7	0	0	0	109.9
204	L	76.4	Confident	78.6	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.9	142.5	174.2	-92.9	67.9	0	0	0	111.3	L129 A162 L163 P202 D208 R209 L212 I258	L129-L204 HydrophobicContact CD2-CD2 3.93Å; L129-L204 HydrophobicContact CD2-CG 4.19Å; A162-L204 VanDerWaalsContact O-CD1 3.26Å; A162-L204 WeakPolarHBondContact O-CD1 3.32Å; L163-L204 HydrophobicContact CD2-CD1 4.12Å; L163-L204 HydrophobicContact CD2-CD2 4Å; P202-L204 PolarHBondContact O-N 3.28Å; L204-D208 HydrophobicContact CD2-CB 4.43Å; L204-R209 HydrophobicContact CB-CG 4.09Å; L204-R209 PolarHBondContact O-NE 3.11Å; L204-R209 PolarHBondContact O-NH2 3.03Å; L204-L212 HydrophobicContact CD2-CD2 3.84Å; L204-I258 HydrophobicContact CD1-CG2 3.96Å; L204-I258 HydrophobicContact CD2-CG2 4.37Å
205	S	73	Confident	79.2	Confident	33 Å²	33	47.9 Å²	47.9	23%	0.231	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.8	150.5	170.7	88.8	0	0	0	0	111	N207 D208 R209	S205-N207 PolarHBondContact O-N 2.99Å; S205-D208 WeakPolarHBondContact CB-OD2 3.18Å; S205-D208 WeakPolarHBondContact O-CA 3.23Å; S205-D208 WeakPolarHBondContact O-CB 3.41Å; S205-D208 PolarHBondContact O-N 2.76Å; S205-D208 VanDerWaalsContact OG-CG 3.27Å; S205-D208 PolarHBondContact OG-OD2 3.17Å; S205-R209 WeakPolarHBondContact O-CG 3.44Å; S205-R209 PolarHBondContact O-N 2.96Å; S205-R209 VanDerWaalsContact O-N 3.1Å
206	E	70.4	Confident	79.5	Confident	128 Å²	128	50.7 Å²	50.7	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-56	-37.6	-176.5	-63.8	167.1	129.3	0	0	113.3	D208 R209 N210	E206-D208 VanDerWaalsContact C-N 3.29Å; E206-D208 PolarHBondContact O-N 3.48Å; E206-R209 WeakPolarHBondContact O-CB 3.37Å; E206-R209 PolarHBondContact O-N 3.08Å; E206-N210 PolarHBondContact O-N 2.88Å; E206-N210 VanDerWaalsContact O-N 3.15Å
207	N	72.8	Confident	79.9	Confident	75 Å²	75	49.3 Å²	49.3	40%	0.401	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-42.1	174.4	-61.1	59.5	0	0	0	111.7	R136 S205 N210 E211	R136-N207 PolarHBondContact NH1-OD1 2.67Å; S205-N207 PolarHBondContact O-N 2.99Å; N207-N210 PolarHBondContact O-N 3.2Å; N207-E211 PolarHBondContact O-N 2.84Å
208	D	76.4	Confident	80.2	Confident	10 Å²	10	51 Å²	51	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-73	-30.1	-179	-54.6	-50.1	0	0	0	112.2	L129 K132 L204 S205 E206 L212	L129-D208 HydrophobicContact CD1-CB 4.06Å; L129-D208 HydrophobicContact CD2-CB 3.89Å; K132-D208 WeakPolarHBondContact CD-OD1 3.42Å; K132-D208 WeakPolarHBondContact CE-OD1 3.16Å; K132-D208 IonicContact NZ-OD1 3.71Å; K132-D208 PolarHBondContact NZ-OD1 3.27Å; L204-D208 HydrophobicContact CD2-CB 4.43Å; S205-D208 WeakPolarHBondContact CB-OD2 3.18Å; S205-D208 WeakPolarHBondContact O-CA 3.23Å; S205-D208 WeakPolarHBondContact O-CB 3.41Å; S205-D208 PolarHBondContact O-N 2.76Å; S205-D208 VanDerWaalsContact OG-CG 3.27Å; S205-D208 PolarHBondContact OG-OD2 3.17Å; E206-D208 VanDerWaalsContact C-N 3.29Å; E206-D208 PolarHBondContact O-N 3.48Å; D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 2.78Å
209	R	70.6	Confident	80.6	Confident	62 Å²	62	54.6 Å²	54.6	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-48.4	173.2	-58	171.7	-166.7	-161.9	-2.3	110.2	L204 S205 E206 E211 L212 S262	L204-R209 HydrophobicContact CB-CG 4.09Å; L204-R209 PolarHBondContact O-NE 3.11Å; L204-R209 PolarHBondContact O-NH2 3.03Å; S205-R209 WeakPolarHBondContact O-CG 3.44Å; S205-R209 PolarHBondContact O-N 2.96Å; S205-R209 VanDerWaalsContact O-N 3.1Å; E206-R209 WeakPolarHBondContact O-CB 3.37Å; E206-R209 PolarHBondContact O-N 3.08Å; R209-E211 VanDerWaalsContact C-N 3.27Å; R209-E211 PolarHBondContact O-N 3.19Å; R209-L212 PolarHBondContact O-N 2.57Å; R209-L212 VanDerWaalsContact O-N 3.08Å; R209-S262 WeakPolarHBondContact CD-O 3.48Å; R209-S262 VanDerWaalsContact NH1-C 3.28Å; R209-S262 VanDerWaalsContact NH1-CA 3.34Å; R209-S262 PolarHBondContact NH1-O 3.39Å
210	N	72.9	Confident	81.1	Confident	146 Å²	146	54.6 Å²	54.6	78%	0.781	29%	0.287	S	S	*	.	H	α-helix	trans	-66.9	-24.6	-176.1	-65.2	-12.8	0	0	0	113.6	E206 N207	E206-N210 PolarHBondContact O-N 2.88Å; E206-N210 VanDerWaalsContact O-N 3.15Å; N207-N210 PolarHBondContact O-N 3.2Å
211	E	74.2	Confident	81.8	Confident	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.279	S	S	.	.	H	α-helix	trans	-81.2	-18.5	175.2	-68.9	175.1	166.2	0	0	113	K132 N207 R209 K216	K132-E211 IonicContact NZ-OE2 3.53Å; K132-E211 PolarHBondContact NZ-OE2 3.01Å; N207-E211 PolarHBondContact O-N 2.84Å; R209-E211 VanDerWaalsContact C-N 3.27Å; R209-E211 PolarHBondContact O-N 3.19Å; E211-K216 PolarHBondContact O-NZ 2.85Å
212	L	83.4	Confident	82.6	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	30%	0.296	C	S	.	.			trans	-109.2	118	-165.8	-172.9	66.8	0	0	0	112.1	L163 L204 D208 R209 K216 L217 W259	L163-L212 HydrophobicContact CD2-CD2 3.98Å; L204-L212 HydrophobicContact CD2-CD2 3.84Å; D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 2.78Å; R209-L212 PolarHBondContact O-N 2.57Å; R209-L212 VanDerWaalsContact O-N 3.08Å; L212-K216 HydrophobicContact CD1-CB 3.8Å; L212-L217 HydrophobicContact CD1-CB 4.33Å; L212-L217 HydrophobicContact CD2-CB 4.11Å; L212-L217 HydrophobicContact CD2-CD1 4.3Å; L212-L217 HydrophobicContact CG-CB 4.21Å; L212-W259 WeakPolarHBondContact O-CZ3 3.29Å
213	T	89.6	Confident	83.9	Confident	72 Å²	72	55.6 Å²	55.6	44%	0.442	29%	0.292	S	S	.	.			trans	-90.1	151.9	168	60.2	0	0	0	0	110.4	A215 K216 L217	T213-A215 PolarHBondContact O-N 2.91Å; T213-A215 VanDerWaalsContact O-N 3.17Å; T213-K216 WeakPolarHBondContact O-CA 3.08Å; T213-K216 WeakPolarHBondContact O-CB 3.23Å; T213-K216 PolarHBondContact O-N 3.39Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; T213-L217 PolarHBondContact O-N 3.36Å
214	Y	88.6	Confident	85.2	Confident	66 Å²	66	52.3 Å²	52.3	26%	0.259	27%	0.274	S	S	.	.	H	α-helix	trans	-51.6	-40.9	179.2	-172.7	-88.4	0	0	0	112.9	K216 L217 V218 Q252 D256 W259	Y214-K216 PolarHBondContact O-N 3.48Å; Y214-L217 WeakPolarHBondContact O-CB 3.22Å; Y214-L217 PolarHBondContact O-N 2.87Å; Y214-L217 VanDerWaalsContact O-N 3.11Å; Y214-V218 HydrophobicContact CD1-CG2 3.86Å; Y214-V218 HydrophobicContact CE1-CG2 3.5Å; Y214-V218 VanDerWaalsContact CE1-CG2 3.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.44Å; Y214-V218 PolarHBondContact O-N 2.66Å; Y214-Q252 PolarHBondContact OH-NE2 3.04Å; Y214-D256 WeakPolarHBondContact CE2-OD1 3.43Å; Y214-D256 PolarHBondContact OH-OD1 2.95Å; Y214-W259 HydrophobicContact CD2-CB 3.98Å; Y214-W259 AromaticContact CD2-CD2 3.76Å; Y214-W259 HydrophobicContact CD2-CD2 3.76Å; Y214-W259 HydrophobicContact CD2-CE3 4.05Å; Y214-W259 AromaticContact CD2-CG 3.73Å; Y214-W259 HydrophobicContact CD2-CG 3.73Å; Y214-W259 HydrophobicContact CE2-CB 4.16Å; Y214-W259 HydrophobicContact CE2-CG 4.28Å; Y214-W259 VanDerWaalsContact N-CZ3 3.29Å
215	A	91.3	Very high	86	Confident	70 Å²	70	51.9 Å²	51.9	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-59.7	-43.2	174.3	0	0	0	0	0	113.1	T213 L217 E219	T213-A215 PolarHBondContact O-N 2.91Å; T213-A215 VanDerWaalsContact O-N 3.17Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 2.93Å; A215-E219 VanDerWaalsContact O-CB 3.26Å; A215-E219 WeakPolarHBondContact O-CB 3.45Å; A215-E219 PolarHBondContact O-N 2.9Å
216	K	91.6	Very high	86.9	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-25.9	175.1	-67.6	175.6	-166.6	175	0	112.6	E211 L212 T213 Y214 Q220	E211-K216 PolarHBondContact O-NZ 2.85Å; L212-K216 HydrophobicContact CD1-CB 3.8Å; T213-K216 WeakPolarHBondContact O-CA 3.08Å; T213-K216 WeakPolarHBondContact O-CB 3.23Å; T213-K216 PolarHBondContact O-N 3.39Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; Y214-K216 PolarHBondContact O-N 3.48Å; K216-Q220 WeakPolarHBondContact O-CB 3.45Å; K216-Q220 VanDerWaalsContact O-CG 3.3Å; K216-Q220 WeakPolarHBondContact O-CG 3.46Å; K216-Q220 PolarHBondContact O-N 3.39Å; K216-Q220 PolarHBondContact O-NE2 2.89Å
217	L	92.6	Very high	87.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.2	-54.6	174.5	169.1	59.3	0	0	0	110	L163 L212 T213 Y214 A215 E219 Q220 L221 S255 I258 W259	L163-L217 HydrophobicContact CD1-CD1 4Å; L163-L217 HydrophobicContact CD2-CD1 3.94Å; L212-L217 HydrophobicContact CD1-CB 4.33Å; L212-L217 HydrophobicContact CD2-CB 4.11Å; L212-L217 HydrophobicContact CD2-CD1 4.3Å; L212-L217 HydrophobicContact CG-CB 4.21Å; T213-L217 PolarHBondContact O-N 3.36Å; Y214-L217 WeakPolarHBondContact O-CB 3.22Å; Y214-L217 PolarHBondContact O-N 2.87Å; Y214-L217 VanDerWaalsContact O-N 3.11Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 2.93Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 2.9Å; L217-Q220 PolarHBondContact O-N 3.05Å; L217-L221 HydrophobicContact CD1-CD1 3.79Å; L217-L221 HydrophobicContact CD1-CG 4.26Å; L217-L221 HydrophobicContact CG-CD1 4.16Å; L217-L221 WeakPolarHBondContact O-CG 3.13Å; L217-L221 PolarHBondContact O-N 3.17Å; L217-S255 WeakPolarHBondContact CD2-O 3.45Å; L217-I258 HydrophobicContact CD1-CB 4.37Å; L217-I258 HydrophobicContact CD1-CD1 4.34Å; L217-I258 HydrophobicContact CD1-CG2 3.85Å; L217-I258 HydrophobicContact CD2-CB 4.16Å; L217-I258 HydrophobicContact CD2-CG2 3.89Å; L217-W259 HydrophobicContact CD2-CB 4.33Å; L217-W259 HydrophobicContact CD2-CE3 4.25Å
218	V	93.2	Very high	88.6	Confident	38 Å²	38	47.3 Å²	47.3	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-55.7	-48.5	176.1	175.5	0	0	0	0	110.8	Y214 Q220 L221 V222 I251 S255	Y214-V218 HydrophobicContact CD1-CG2 3.86Å; Y214-V218 HydrophobicContact CE1-CG2 3.5Å; Y214-V218 VanDerWaalsContact CE1-CG2 3.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.44Å; Y214-V218 PolarHBondContact O-N 2.66Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.32Å; V218-L221 PolarHBondContact O-N 3.37Å; V218-L221 VanDerWaalsContact O-N 3.15Å; V218-V222 HydrophobicContact CG1-CG2 4.17Å; V218-V222 VanDerWaalsContact O-CG2 3.29Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 3.4Å; V218-I251 HydrophobicContact CG1-CG2 4.18Å; V218-S255 WeakPolarHBondContact CG2-OG 3.36Å
219	E	94.2	Very high	88.9	Confident	85 Å²	85	48.6 Å²	48.6	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-35.6	-178.4	-164.2	-154.3	138.8	0	0	113	R105 A215 L217 N223	R105-E219 VanDerWaalsContact CD-OE1 3.23Å; R105-E219 WeakPolarHBondContact CD-OE1 3.36Å; R105-E219 IonicContact CZ-OE1 2.71Å; R105-E219 IonicContact CZ-OE2 3.07Å; R105-E219 IonicContact NE-OE1 3.22Å; R105-E219 IonicContact NH1-OE1 2.82Å; R105-E219 PolarHBondContact NH1-OE1 2.93Å; R105-E219 IonicContact NH1-OE2 3.69Å; R105-E219 PolarHBondContact NH1-OE2 3.38Å; A215-E219 VanDerWaalsContact O-CB 3.26Å; A215-E219 WeakPolarHBondContact O-CB 3.45Å; A215-E219 PolarHBondContact O-N 2.9Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 2.9Å; E219-N223 PolarHBondContact O-N 3.19Å; E219-N223 PolarHBondContact O-ND2 2.78Å
220	Q	95.2	Very high	89.4	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.023	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-49.3	172.1	-80	174.5	87.3	0	0	111	R105 Y128 L163 K216 L217 V218 V222 N223 M224	R105-Q220 HydrophobicContact CG-CG 4.22Å; Y128-Q220 HydrophobicContact CD1-CB 4.22Å; Y128-Q220 HydrophobicContact CD1-CG 3.81Å; Y128-Q220 HydrophobicContact CE1-CB 4.19Å; Y128-Q220 HydrophobicContact CE1-CG 4.11Å; L163-Q220 HydrophobicContact CD1-CB 3.79Å; L163-Q220 HydrophobicContact CD1-CG 4.4Å; K216-Q220 WeakPolarHBondContact O-CB 3.45Å; K216-Q220 VanDerWaalsContact O-CG 3.3Å; K216-Q220 WeakPolarHBondContact O-CG 3.46Å; K216-Q220 PolarHBondContact O-N 3.39Å; K216-Q220 PolarHBondContact O-NE2 2.89Å; L217-Q220 PolarHBondContact O-N 3.05Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.32Å; Q220-V222 VanDerWaalsContact C-N 3.34Å; Q220-V222 PolarHBondContact O-N 3.24Å; Q220-N223 PolarHBondContact O-N 3.26Å; Q220-N223 VanDerWaalsContact O-N 3.1Å; Q220-M224 HydrophobicContact CB-CE 4.24Å; Q220-M224 VanDerWaalsContact O-CG 3.28Å; Q220-M224 WeakPolarHBondContact O-CG 3.42Å; Q220-M224 PolarHBondContact O-N 3.32Å
221	L	95	Very high	89.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-40	-179.8	-69.1	169.5	0	0	0	112.2	I164 L217 V218 N223 M224 F225 I251 L254 S255	I164-L221 HydrophobicContact CD1-CD2 4.5Å; I164-L221 HydrophobicContact CG2-CD2 4.07Å; L217-L221 HydrophobicContact CD1-CD1 3.79Å; L217-L221 HydrophobicContact CD1-CG 4.26Å; L217-L221 HydrophobicContact CG-CD1 4.16Å; L217-L221 WeakPolarHBondContact O-CG 3.13Å; L217-L221 PolarHBondContact O-N 3.17Å; V218-L221 PolarHBondContact O-N 3.37Å; V218-L221 VanDerWaalsContact O-N 3.15Å; L221-N223 VanDerWaalsContact C-N 3.3Å; L221-N223 PolarHBondContact O-N 2.71Å; L221-M224 HydrophobicContact CD2-SD 4.42Å; L221-M224 PolarHBondContact O-N 2.69Å; L221-F225 HydrophobicContact CD2-CE2 4.24Å; L221-F225 WeakPolarHBondContact O-CD2 3.41Å; L221-F225 PolarHBondContact O-N 3Å; L221-I251 HydrophobicContact CB-CG1 4.42Å; L221-I251 HydrophobicContact CB-CG2 4.05Å; L221-L254 HydrophobicContact CD1-CB 4.05Å; L221-S255 WeakPolarHBondContact CD1-OG 3.5Å
222	V	95.6	Very high	90.2	Very high	63 Å²	63	44.1 Å²	44.1	38%	0.382	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-42.1	173.1	168.6	0	0	0	0	112.1	V218 Q220 N226 I251	V218-V222 HydrophobicContact CG1-CG2 4.17Å; V218-V222 VanDerWaalsContact O-CG2 3.29Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 3.4Å; Q220-V222 VanDerWaalsContact C-N 3.34Å; Q220-V222 PolarHBondContact O-N 3.24Å; V222-N226 PolarHBondContact O-N 3.22Å; V222-I251 HydrophobicContact CB-CD1 4.48Å; V222-I251 HydrophobicContact CG2-CD1 3.98Å; V222-I251 HydrophobicContact CG2-CG2 4.21Å
223	N	96.2	Very high	89.8	Confident	18 Å²	18	48.4 Å²	48.4	10%	0.096	25%	0.254	C	S	.	.	H	α-helix	trans	-79.1	-33.1	179.1	-71	-67	0	0	0	112.4	R105 R107 N108 Y128 E219 Q220 L221 N226	R105-N223 HydrophobicContact CB-CB 4.43Å; R107-N223 HydrophobicContact CG-CB 4.2Å; R107-N223 WeakPolarHBondContact CG-OD1 3.49Å; R107-N223 PolarHBondContact NE-OD1 2.99Å; N108-N223 PolarHBondContact N-O 3Å; Y128-N223 VanDerWaalsContact OH-CB 3.3Å; Y128-N223 WeakPolarHBondContact OH-CB 3.39Å; E219-N223 PolarHBondContact O-N 3.19Å; E219-N223 PolarHBondContact O-ND2 2.78Å; Q220-N223 PolarHBondContact O-N 3.26Å; Q220-N223 VanDerWaalsContact O-N 3.1Å; L221-N223 VanDerWaalsContact C-N 3.3Å; L221-N223 PolarHBondContact O-N 2.71Å; N223-N226 WeakPolarHBondContact O-CB 3.42Å; N223-N226 PolarHBondContact O-N 2.72Å
224	M	95.6	Very high	88.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-30.8	174	-68.4	179.5	-175.4	0	0	113.7	N108 Y128 S161 L163 I164 F167 N187 Q220 L221	N108-M224 VanDerWaalsContact CB-O 3.28Å; N108-M224 WeakPolarHBondContact CB-O 3.26Å; Y128-M224 HydrophobicContact CD1-CE 3.38Å; Y128-M224 HydrophobicContact CE1-CE 3.6Å; Y128-M224 HydrophobicContact CE1-CG 3.79Å; Y128-M224 HydrophobicContact CG-CE 4.32Å; S161-M224 WeakPolarHBondContact OG-CE 3.1Å; L163-M224 HydrophobicContact CB-CE 4.47Å; L163-M224 HydrophobicContact CD1-CE 3.98Å; I164-M224 HydrophobicContact CD1-CB 4.08Å; I164-M224 HydrophobicContact CD1-SD 3.79Å; I164-M224 HydrophobicContact CG1-SD 3.84Å; F167-M224 HydrophobicContact CB-CG 4.2Å; F167-M224 HydrophobicContact CB-SD 4.07Å; F167-M224 HydrophobicContact CD1-CE 3.73Å; F167-M224 HydrophobicContact CD1-CG 3.65Å; F167-M224 HydrophobicContact CD1-SD 3.92Å; F167-M224 HydrophobicContact CD2-CB 3.99Å; F167-M224 HydrophobicContact CD2-CG 3.85Å; F167-M224 HydrophobicContact CE1-CE 4.1Å; F167-M224 HydrophobicContact CE1-CG 3.86Å; F167-M224 HydrophobicContact CE2-CB 4.32Å; F167-M224 HydrophobicContact CE2-CG 4.06Å; F167-M224 HydrophobicContact CG-CB 4.13Å; F167-M224 HydrophobicContact CG-CE 4.42Å; F167-M224 HydrophobicContact CG-CG 3.63Å; F167-M224 HydrophobicContact CG-SD 4.02Å; F167-M224 HydrophobicContact CZ-CG 4.05Å; N187-M224 VanDerWaalsContact CB-O 3.31Å; N187-M224 WeakPolarHBondContact CB-O 3.42Å; N187-M224 PolarHBondContact ND2-O 3.01Å; Q220-M224 HydrophobicContact CB-CE 4.24Å; Q220-M224 VanDerWaalsContact O-CG 3.28Å; Q220-M224 WeakPolarHBondContact O-CG 3.42Å; Q220-M224 PolarHBondContact O-N 3.32Å; L221-M224 HydrophobicContact CD2-SD 4.42Å; L221-M224 PolarHBondContact O-N 2.69Å
225	F	93.7	Very high	87.6	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	3.7	177	-76.6	-78.7	0	0	0	113.7	I164 N187 L199 L221 N227 F228 L247 L250 I251 L254	I164-F225 HydrophobicContact CD1-CD2 4.37Å; I164-F225 HydrophobicContact CD1-CE2 3.52Å; I164-F225 HydrophobicContact CD1-CZ 3.75Å; N187-F225 WeakPolarHBondContact ND2-CE1 3.47Å; L199-F225 HydrophobicContact CD1-CE1 4.15Å; L199-F225 HydrophobicContact CD1-CZ 3.85Å; L199-F225 HydrophobicContact CD2-CE1 4.39Å; L199-F225 HydrophobicContact CD2-CZ 4.19Å; L221-F225 HydrophobicContact CD2-CE2 4.24Å; L221-F225 WeakPolarHBondContact O-CD2 3.41Å; L221-F225 PolarHBondContact O-N 3Å; F225-N227 PolarHBondContact O-N 3.05Å; F225-F228 HydrophobicContact CD1-CB 4.05Å; F225-F228 AromaticContact CD1-CD2 3.78Å; F225-F228 HydrophobicContact CD1-CD2 3.78Å; F225-F228 HydrophobicContact CD1-CE2 4.37Å; F225-F228 AromaticContact CD1-CG 3.85Å; F225-F228 HydrophobicContact CD1-CG 3.85Å; F225-F228 HydrophobicContact CE1-CD2 4.03Å; F225-F228 HydrophobicContact CE1-CE2 4.15Å; F225-F228 HydrophobicContact CE1-CG 4.36Å; F225-F228 WeakPolarHBondContact O-CB 3.43Å; F225-F228 PolarHBondContact O-N 3.25Å; F225-L247 HydrophobicContact CB-CD1 4.13Å; F225-L247 HydrophobicContact CB-CD2 4.1Å; F225-L247 HydrophobicContact CB-CG 4.18Å; F225-L247 WeakPolarHBondContact O-CD2 3.39Å; F225-L250 HydrophobicContact CD1-CD2 4.22Å; F225-L250 HydrophobicContact CE1-CD2 4.09Å; F225-I251 HydrophobicContact CB-CD1 4.45Å; F225-I251 HydrophobicContact CD2-CG1 4.48Å; F225-L254 HydrophobicContact CD2-CD1 4.4Å; F225-L254 HydrophobicContact CE2-CD1 3.49Å; F225-L254 VanDerWaalsContact CE2-CD1 3.49Å; F225-L254 HydrophobicContact CZ-CD1 3.75Å
226	N	92.7	Very high	86.3	Confident	29 Å²	29	47.2 Å²	47.2	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	120.3	179.6	-165.8	-82.1	0	0	0	111.4	R74 R107 N108 V222 N223 F228	R74-N226 PolarHBondContact NH1-OD1 2.97Å; R74-N226 PolarHBondContact NH2-O 2.94Å; R74-N226 PolarHBondContact NH2-OD1 2.89Å; R107-N226 HydrophobicContact CB-CB 4.14Å; R107-N226 HydrophobicContact CG-CB 4.12Å; N108-N226 WeakPolarHBondContact CB-O 3.26Å; N108-N226 PolarHBondContact ND2-O 3.3Å; V222-N226 PolarHBondContact O-N 3.22Å; N223-N226 WeakPolarHBondContact O-CB 3.42Å; N223-N226 PolarHBondContact O-N 2.72Å; N226-F228 PolarHBondContact O-N 3.44Å
227	N	89.2	Confident	85.1	Confident	98 Å²	98	47.3 Å²	47.3	52%	0.524	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	38.7	-170.7	-58.6	19.9	0	0	0	113.5	R74 L76 F225	R74-N227 PolarHBondContact NH1-ND2 3.14Å; L76-N227 HydrophobicContact CD1-CB 4.27Å; F225-N227 PolarHBondContact O-N 3.05Å
228	F	88.2	Confident	83.9	Confident	13 Å²	13	54.3 Å²	54.3	6%	0.057	30%	0.297	C	S	.	.			trans	-58.2	135.9	167.2	-170.1	-91.8	0	0	0	109.8	N187 P189 L197 F225 N226 K230 L245	N187-F228 HydrophobicContact CB-CD2 3.97Å; N187-F228 HydrophobicContact CB-CE2 4.14Å; P189-F228 HydrophobicContact CB-CE1 4.49Å; P189-F228 HydrophobicContact CB-CE2 4.47Å; P189-F228 HydrophobicContact CB-CZ 3.81Å; P189-F228 HydrophobicContact CG-CE1 4.42Å; P189-F228 HydrophobicContact CG-CE2 4.13Å; P189-F228 HydrophobicContact CG-CZ 3.8Å; L197-F228 HydrophobicContact CD1-CE1 4.04Å; L197-F228 HydrophobicContact CD2-CZ 4.49Å; F225-F228 HydrophobicContact CD1-CB 4.05Å; F225-F228 AromaticContact CD1-CD2 3.78Å; F225-F228 HydrophobicContact CD1-CD2 3.78Å; F225-F228 HydrophobicContact CD1-CE2 4.37Å; F225-F228 AromaticContact CD1-CG 3.85Å; F225-F228 HydrophobicContact CD1-CG 3.85Å; F225-F228 HydrophobicContact CE1-CD2 4.03Å; F225-F228 HydrophobicContact CE1-CE2 4.15Å; F225-F228 HydrophobicContact CE1-CG 4.36Å; F225-F228 WeakPolarHBondContact O-CB 3.43Å; F225-F228 PolarHBondContact O-N 3.25Å; N226-F228 PolarHBondContact O-N 3.44Å; F228-K230 PolarHBondContact O-N 3.44Å; F228-L245 HydrophobicContact CD1-CD1 3.87Å; F228-L245 HydrophobicContact CE1-CD1 4.14Å
229	P	82.6	Confident	83.1	Confident	37 Å²	37	56.5 Å²	56.5	24%	0.24	31%	0.305	C	S	.	.			trans	-66.7	122.1	-172.4	25.8	-34.6	0	0	0	112	P189 I232	P189-P229 HydrophobicContact CG-CG 3.49Å; P189-P229 VanDerWaalsContact CG-CG 3.49Å; P229-I232 HydrophobicContact CB-CG1 4.2Å; P229-I232 HydrophobicContact CG-CD1 4.41Å; P229-I232 HydrophobicContact CG-CG1 4.25Å
230	K	81.5	Confident	82.5	Confident	85 Å²	85	57.3 Å²	57.3	37%	0.37	31%	0.311	S	S	.	.	S	Bend	trans	-77.9	-23.4	169.4	-73.6	-161.9	168.7	-157.9	0	113.3	F228 F243 D244 L245	F228-K230 PolarHBondContact O-N 3.44Å; K230-F243 PolarHBondContact O-N 3.48Å; K230-D244 IonicContact NZ-OD1 2.74Å; K230-D244 PolarHBondContact NZ-OD1 2.77Å; K230-L245 WeakPolarHBondContact CE-O 3.11Å; K230-L245 PolarHBondContact NZ-O 3.39Å
231	H	82.6	Confident	81.9	Confident	123 Å²	123	57.4 Å²	57.4	57%	0.569	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.8	-179.8	-55.7	-80.5	0	0	0	107.9	I240 L241 N242	H231-I240 HydrophobicContact CB-CG2 4.09Å; H231-L241 WeakPolarHBondContact CA-O 3.2Å; H231-N242 PolarHBondContact ND1-OD1 2.95Å
232	I	81.5	Confident	81.4	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.118	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117	-175.4	-57.5	174.1	0	0	0	107.9	P189 L191 L197 P229 L241 F243	P189-I232 HydrophobicContact CB-CD1 3.61Å; P189-I232 HydrophobicContact CG-CD1 3.91Å; L191-I232 HydrophobicContact CD1-CG2 3.97Å; L197-I232 HydrophobicContact CD1-CD1 4.31Å; L197-I232 HydrophobicContact CD2-CD1 3.76Å; L197-I232 HydrophobicContact CG-CD1 4.35Å; P229-I232 HydrophobicContact CB-CG1 4.2Å; P229-I232 HydrophobicContact CG-CD1 4.41Å; P229-I232 HydrophobicContact CG-CG1 4.25Å; I232-L241 PolarHBondContact N-O 3.17Å; I232-L241 WeakPolarHBondContact O-CB 3.4Å; I232-L241 PolarHBondContact O-N 3.38Å; I232-F243 HydrophobicContact CB-CE2 4.38Å; I232-F243 HydrophobicContact CD1-CD2 4.03Å; I232-F243 HydrophobicContact CD1-CE2 3.88Å; I232-F243 HydrophobicContact CG1-CD2 4.41Å; I232-F243 HydrophobicContact CG1-CE2 4.36Å
233	M	75.2	Confident	80.8	Confident	106 Å²	106	57.7 Å²	57.7	52%	0.522	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.5	170.4	-68.9	-177.4	72.3	0	0	109.7	I240	M233-I240 HydrophobicContact CG-CG1 4.17Å
234	K	71.3	Confident	80	Confident	50 Å²	50	60.7 Å²	60.7	22%	0.217	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-76	130.7	176	-177.6	164.6	-179.4	168.7	0	110.4	N195 G236 I237 Q239	N195-K234 WeakPolarHBondContact OD1-CD 3.33Å; N195-K234 WeakPolarHBondContact OD1-CE 3.3Å; N195-K234 PolarHBondContact OD1-NZ 3.11Å; K234-G236 PolarHBondContact O-N 3.04Å; K234-I237 HydrophobicContact CD-CD1 4.09Å; K234-I237 PolarHBondContact O-N 2.74Å; K234-Q239 PolarHBondContact N-O 2.75Å
235	P	60.2	Low	79.1	Confident	68 Å²	68	61.2 Å²	61.2	44%	0.442	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135.2	170.5	-24.5	35	0	0	0	111.3	I237 I435	P235-I237 VanDerWaalsContact C-N 3.34Å; P235-I237 PolarHBondContact O-N 2.82Å; P235-I435 HydrophobicContact CG-CD1 4.49Å
236	G	64.8	Low	78.7	Confident	64 Å²	64	65.2 Å²	65.2	66%	0.66	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-6.2	-179.7	0	0	0	0	0	116.4	K234	K234-G236 PolarHBondContact O-N 3.04Å
237	I	65.9	Low	78.4	Confident	87 Å²	87	66.5 Å²	66.5	45%	0.446	36%	0.358	S	S	.	.	S	Bend	trans	-146.2	133	-174.7	-47.9	-178.4	0	0	0	109.7	K234 P235 Q239	K234-I237 HydrophobicContact CD-CD1 4.09Å; K234-I237 PolarHBondContact O-N 2.74Å; P235-I237 VanDerWaalsContact C-N 3.34Å; P235-I237 PolarHBondContact O-N 2.82Å; I237-Q239 HydrophobicContact CG2-CB 3.95Å; I237-Q239 PolarHBondContact O-N 3Å
238	D	68.6	Low	78.3	Confident	147 Å²	147	66 Å²	66	79%	0.786	36%	0.362	S	S	*	.			trans	-71.4	35.8	176.8	-63.8	-48.4	0	0	0	114.3
239	Q	75.8	Confident	78.1	Confident	85 Å²	85	69.2 Å²	69.2	40%	0.397	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-94.7	119	176.9	-175.6	174.5	52.3	0	0	110.1	N195 K234 I237 L241	N195-Q239 PolarHBondContact ND2-OE1 2.8Å; N195-Q239 VanDerWaalsContact ND2-OE1 3.15Å; K234-Q239 PolarHBondContact N-O 2.75Å; I237-Q239 HydrophobicContact CG2-CB 3.95Å; I237-Q239 PolarHBondContact O-N 3Å; Q239-L241 HydrophobicContact CG-CD2 4.18Å
240	I	80.4	Confident	78.4	Confident	101 Å²	101	67.6 Å²	67.6	52%	0.518	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.5	170.9	-53.9	176.4	0	0	0	108.9	H231 M233	H231-I240 HydrophobicContact CB-CG2 4.09Å; M233-I240 HydrophobicContact CG-CG1 4.17Å
241	L	82.8	Confident	78.8	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	172.6	-57.8	176	0	0	0	109.6	L191 N195 H231 I232 Q239 F243	L191-L241 HydrophobicContact CD1-CD1 3.82Å; L191-L241 HydrophobicContact CD2-CD1 4.01Å; N195-L241 HydrophobicContact CB-CD1 3.75Å; N195-L241 HydrophobicContact CB-CD2 3.88Å; N195-L241 HydrophobicContact CB-CG 4.49Å; H231-L241 WeakPolarHBondContact CA-O 3.2Å; I232-L241 PolarHBondContact N-O 3.17Å; I232-L241 WeakPolarHBondContact O-CB 3.4Å; I232-L241 PolarHBondContact O-N 3.38Å; Q239-L241 HydrophobicContact CG-CD2 4.18Å; L241-F243 HydrophobicContact CB-CD2 4.44Å; L241-F243 HydrophobicContact CB-CE2 3.55Å; L241-F243 HydrophobicContact CB-CZ 3.99Å; L241-F243 HydrophobicContact CD1-CZ 4.42Å
242	N	84.8	Confident	79	Confident	66 Å²	66	62.5 Å²	62.5	35%	0.353	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.4	-179.6	-67.3	-20.1	0	0	0	110.3	H231 P317 K318	H231-N242 PolarHBondContact ND1-OD1 2.95Å; N242-P317 CarbonylContact O-C 3.6Å; N242-P317 VanDerWaalsContact O-CA 3.32Å; N242-P317 WeakPolarHBondContact O-CA 3.44Å; N242-K318 HydrophobicContact CB-CB 4.47Å; N242-K318 PolarHBondContact O-N 3.23Å
243	F	84.1	Confident	79.2	Confident	3 Å²	3	64.4 Å²	64.4	1%	0.013	36%	0.357	C	S	.	.			trans	-122.6	104	176.7	-60.3	-87.6	0	0	0	109.4	L191 L197 K230 I232 L241 L245 P317	L191-F243 HydrophobicContact CD2-CE2 4.3Å; L191-F243 HydrophobicContact CD2-CZ 3.89Å; L197-F243 HydrophobicContact CB-CE1 4.16Å; L197-F243 HydrophobicContact CD1-CB 4.2Å; L197-F243 HydrophobicContact CD1-CD1 3.62Å; L197-F243 HydrophobicContact CD1-CD2 3.86Å; L197-F243 HydrophobicContact CD1-CE1 3.87Å; L197-F243 HydrophobicContact CD1-CE2 4.1Å; L197-F243 HydrophobicContact CD1-CG 3.61Å; L197-F243 HydrophobicContact CD1-CZ 4.11Å; L197-F243 HydrophobicContact CG-CD1 3.99Å; L197-F243 HydrophobicContact CG-CD2 4.29Å; L197-F243 HydrophobicContact CG-CE1 3.68Å; L197-F243 HydrophobicContact CG-CE2 4.01Å; L197-F243 HydrophobicContact CG-CG 4.29Å; L197-F243 HydrophobicContact CG-CZ 3.7Å; K230-F243 PolarHBondContact O-N 3.48Å; I232-F243 HydrophobicContact CB-CE2 4.38Å; I232-F243 HydrophobicContact CD1-CD2 4.03Å; I232-F243 HydrophobicContact CD1-CE2 3.88Å; I232-F243 HydrophobicContact CG1-CD2 4.41Å; I232-F243 HydrophobicContact CG1-CE2 4.36Å; L241-F243 HydrophobicContact CB-CD2 4.44Å; L241-F243 HydrophobicContact CB-CE2 3.55Å; L241-F243 HydrophobicContact CB-CZ 3.99Å; L241-F243 HydrophobicContact CD1-CZ 4.42Å; F243-L245 HydrophobicContact CB-CD1 4.37Å; F243-L245 HydrophobicContact CB-CD2 4.23Å; F243-L245 HydrophobicContact CB-CG 3.95Å; F243-L245 PolarHBondContact O-N 3.26Å; F243-P317 HydrophobicContact CD1-CB 4.2Å; F243-P317 HydrophobicContact CE1-CB 3.73Å; F243-P317 HydrophobicContact CE1-CG 4.32Å; F243-P317 HydrophobicContact CZ-CB 3.94Å
244	D	79.2	Confident	79.9	Confident	80 Å²	80	59.4 Å²	59.4	43%	0.428	33%	0.332	S	S	.	.			trans	-80	66.4	177.7	-164.6	14.7	0	0	0	112.2	K230 N246 K318 T325	K230-D244 IonicContact NZ-OD1 2.74Å; K230-D244 PolarHBondContact NZ-OD1 2.77Å; D244-N246 PolarHBondContact O-N 3.21Å; D244-K318 HydrophobicContact CB-CD 4.3Å; D244-T325 HydrophobicContact CB-CG2 4.27Å; D244-T325 VanDerWaalsContact N-CG2 3.28Å; D244-T325 PolarHBondContact O-OG1 3.15Å
245	L	76.5	Confident	80.7	Confident	11 Å²	11	57 Å²	57	6%	0.058	32%	0.322	C	S	.	.			trans	-72.1	115.4	-177.6	-57.9	176.5	0	0	0	110.8	L197 F228 K230 F243 L247 L250 I315	L197-L245 HydrophobicContact CD1-CD1 4.48Å; F228-L245 HydrophobicContact CD1-CD1 3.87Å; F228-L245 HydrophobicContact CE1-CD1 4.14Å; K230-L245 WeakPolarHBondContact CE-O 3.11Å; K230-L245 PolarHBondContact NZ-O 3.39Å; F243-L245 HydrophobicContact CB-CD1 4.37Å; F243-L245 HydrophobicContact CB-CD2 4.23Å; F243-L245 HydrophobicContact CB-CG 3.95Å; F243-L245 PolarHBondContact O-N 3.26Å; L245-L247 PolarHBondContact O-N 3.36Å; L245-L250 HydrophobicContact CD1-CD2 4.49Å; L245-I315 HydrophobicContact CD2-CD1 3.79Å; L245-I315 HydrophobicContact CD2-CG2 3.82Å
246	N	85.1	Confident	82	Confident	86 Å²	86	56.4 Å²	56.4	46%	0.46	32%	0.315	S	S	.	.			trans	-73.9	97.1	154.7	178.7	-12.4	0	0	0	108.1	D244 S248 N249 L250	D244-N246 PolarHBondContact O-N 3.21Å; N246-S248 VanDerWaalsContact C-N 3.29Å; N246-S248 PolarHBondContact O-N 2.78Å; N246-S248 PolarHBondContact OD1-N 3.11Å; N246-N249 HydrophobicContact CB-CB 4.24Å; N246-N249 PolarHBondContact ND2-ND2 2.57Å; N246-N249 PolarHBondContact ND2-OD1 2.92Å; N246-N249 PolarHBondContact O-N 3.46Å; N246-N249 PolarHBondContact OD1-N 3.1Å; N246-L250 PolarHBondContact O-N 3.02Å
247	L	86.4	Confident	82.9	Confident	56 Å²	56	55.1 Å²	55.1	29%	0.293	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-36.7	-173	-146.5	80.6	0	0	0	112.8	F225 L245 L250 I251	F225-L247 HydrophobicContact CB-CD1 4.13Å; F225-L247 HydrophobicContact CB-CD2 4.1Å; F225-L247 HydrophobicContact CB-CG 4.18Å; F225-L247 WeakPolarHBondContact O-CD2 3.39Å; L245-L247 PolarHBondContact O-N 3.36Å; L247-L250 PolarHBondContact O-N 3.41Å; L247-I251 HydrophobicContact CD2-CD1 4.16Å; L247-I251 HydrophobicContact CG-CD1 4.08Å; L247-I251 WeakPolarHBondContact O-CB 3.45Å; L247-I251 WeakPolarHBondContact O-CD1 3.47Å; L247-I251 VanDerWaalsContact O-CG1 3.23Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.84Å
248	S	87	Confident	83.8	Confident	87 Å²	87	51.2 Å²	51.2	61%	0.608	27%	0.271	S	S	*	.	H	α-helix	trans	-65.5	-44.2	178.7	-57.6	0	0	0	0	111.5	N246 I251 Q252	N246-S248 VanDerWaalsContact C-N 3.29Å; N246-S248 PolarHBondContact O-N 2.78Å; N246-S248 PolarHBondContact OD1-N 3.11Å; S248-I251 PolarHBondContact O-N 2.83Å; S248-Q252 WeakPolarHBondContact O-CB 3.25Å; S248-Q252 PolarHBondContact O-N 3.06Å
249	N	84.9	Confident	84.6	Confident	80 Å²	80	48.5 Å²	48.5	43%	0.428	25%	0.25	S	S	.	.	H	α-helix	trans	-65.3	-39.9	176.1	-71	28.5	0	0	0	111.5	N246 Q252 I253	N246-N249 HydrophobicContact CB-CB 4.24Å; N246-N249 PolarHBondContact ND2-ND2 2.57Å; N246-N249 PolarHBondContact ND2-OD1 2.92Å; N246-N249 PolarHBondContact O-N 3.46Å; N246-N249 PolarHBondContact OD1-N 3.1Å; N249-Q252 PolarHBondContact O-N 2.79Å; N249-I253 WeakPolarHBondContact O-CB 3.38Å; N249-I253 WeakPolarHBondContact O-CD1 3.3Å; N249-I253 VanDerWaalsContact O-CG1 3.27Å; N249-I253 WeakPolarHBondContact O-CG1 3.39Å; N249-I253 PolarHBondContact O-N 3.13Å
250	L	87.2	Confident	84.7	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-46.9	175.3	177.3	62	0	0	0	111.5	L199 F225 L245 N246 L247 Q252 I253 L254 L313 I315 L327	L199-L250 HydrophobicContact CD1-CD1 4.3Å; F225-L250 HydrophobicContact CD1-CD2 4.22Å; F225-L250 HydrophobicContact CE1-CD2 4.09Å; L245-L250 HydrophobicContact CD1-CD2 4.49Å; N246-L250 PolarHBondContact O-N 3.02Å; L247-L250 PolarHBondContact O-N 3.41Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-Q252 PolarHBondContact O-N 3.12Å; L250-I253 PolarHBondContact O-N 2.94Å; L250-L254 HydrophobicContact CD1-CD1 3.95Å; L250-L254 HydrophobicContact CD1-CG 4.18Å; L250-L254 HydrophobicContact CG-CD1 3.96Å; L250-L254 WeakPolarHBondContact O-CB 3.29Å; L250-L254 VanDerWaalsContact O-CG 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.95Å; L250-L313 HydrophobicContact CD1-CD2 3.57Å; L250-I315 HydrophobicContact CD1-CD1 4.07Å; L250-I315 HydrophobicContact CD2-CD1 4.32Å; L250-L327 HydrophobicContact CD1-CD2 4.21Å
251	I	90.6	Very high	84.1	Confident	13 Å²	13	46.7 Å²	46.7	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-39.9	177.6	-70.8	160.9	0	0	0	110.9	V218 L221 V222 F225 L247 S248 S255	V218-I251 HydrophobicContact CG1-CG2 4.18Å; L221-I251 HydrophobicContact CB-CG1 4.42Å; L221-I251 HydrophobicContact CB-CG2 4.05Å; V222-I251 HydrophobicContact CB-CD1 4.48Å; V222-I251 HydrophobicContact CG2-CD1 3.98Å; V222-I251 HydrophobicContact CG2-CG2 4.21Å; F225-I251 HydrophobicContact CB-CD1 4.45Å; F225-I251 HydrophobicContact CD2-CG1 4.48Å; L247-I251 HydrophobicContact CD2-CD1 4.16Å; L247-I251 HydrophobicContact CG-CD1 4.08Å; L247-I251 WeakPolarHBondContact O-CB 3.45Å; L247-I251 WeakPolarHBondContact O-CD1 3.47Å; L247-I251 VanDerWaalsContact O-CG1 3.23Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.84Å; S248-I251 PolarHBondContact O-N 2.83Å; I251-S255 VanDerWaalsContact O-CB 3.27Å; I251-S255 WeakPolarHBondContact O-CB 3.47Å; I251-S255 PolarHBondContact O-N 3.36Å; I251-S255 PolarHBondContact O-OG 3.48Å
252	Q	87.8	Confident	82.7	Confident	88 Å²	88	47.4 Å²	47.4	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-53.2	175.6	-172.2	62.6	38	0	0	111.2	Y214 S248 N249 L250 L254 S255 D256	Y214-Q252 PolarHBondContact OH-NE2 3.04Å; S248-Q252 WeakPolarHBondContact O-CB 3.25Å; S248-Q252 PolarHBondContact O-N 3.06Å; N249-Q252 PolarHBondContact O-N 2.79Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-Q252 PolarHBondContact O-N 3.12Å; Q252-L254 VanDerWaalsContact C-N 3.33Å; Q252-L254 PolarHBondContact O-N 2.85Å; Q252-S255 PolarHBondContact O-N 2.95Å; Q252-S255 VanDerWaalsContact O-N 3.13Å; Q252-D256 VanDerWaalsContact NE2-CG 3.3Å; Q252-D256 PolarHBondContact NE2-OD1 3.48Å; Q252-D256 VanDerWaalsContact NE2-OD1 3.12Å; Q252-D256 PolarHBondContact NE2-OD2 2.86Å; Q252-D256 WeakPolarHBondContact O-CB 3.38Å; Q252-D256 VanDerWaalsContact O-CG 3.28Å; Q252-D256 PolarHBondContact O-N 3.34Å
253	I	85.4	Confident	80.6	Confident	64 Å²	64	47.7 Å²	47.7	33%	0.328	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-42.7	179.4	-69.4	163.8	0	0	0	111.5	N249 L250 H257 L327	N249-I253 WeakPolarHBondContact O-CB 3.38Å; N249-I253 WeakPolarHBondContact O-CD1 3.3Å; N249-I253 VanDerWaalsContact O-CG1 3.27Å; N249-I253 WeakPolarHBondContact O-CG1 3.39Å; N249-I253 PolarHBondContact O-N 3.13Å; L250-I253 PolarHBondContact O-N 2.94Å; I253-H257 VanDerWaalsContact O-CB 3.27Å; I253-H257 WeakPolarHBondContact O-CB 3.31Å; I253-H257 PolarHBondContact O-N 3.44Å; I253-L327 HydrophobicContact CD1-CD1 3.81Å
254	L	88.7	Confident	78.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-42.1	175.9	-72	172.3	0	0	0	112	L199 L201 L221 F225 L250 Q252 I258 L313	L199-L254 HydrophobicContact CD1-CD1 4.38Å; L201-L254 HydrophobicContact CD1-CD2 4.47Å; L201-L254 HydrophobicContact CD2-CD2 3.44Å; L201-L254 VanDerWaalsContact CD2-CD2 3.44Å; L221-L254 HydrophobicContact CD1-CB 4.05Å; F225-L254 HydrophobicContact CD2-CD1 4.4Å; F225-L254 HydrophobicContact CE2-CD1 3.49Å; F225-L254 VanDerWaalsContact CE2-CD1 3.49Å; F225-L254 HydrophobicContact CZ-CD1 3.75Å; L250-L254 HydrophobicContact CD1-CD1 3.95Å; L250-L254 HydrophobicContact CD1-CG 4.18Å; L250-L254 HydrophobicContact CG-CD1 3.96Å; L250-L254 WeakPolarHBondContact O-CB 3.29Å; L250-L254 VanDerWaalsContact O-CG 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.95Å; Q252-L254 VanDerWaalsContact C-N 3.33Å; Q252-L254 PolarHBondContact O-N 2.85Å; L254-I258 VanDerWaalsContact O-CB 3.26Å; L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 3.43Å; L254-L313 HydrophobicContact CD2-CD2 3.76Å; L254-L313 HydrophobicContact CG-CD2 4.21Å
255	S	89.6	Confident	76.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-46.5	178.3	-57.6	0	0	0	0	111	L217 V218 L221 I251 Q252 I258 W259	L217-S255 WeakPolarHBondContact CD2-O 3.45Å; V218-S255 WeakPolarHBondContact CG2-OG 3.36Å; L221-S255 WeakPolarHBondContact CD1-OG 3.5Å; I251-S255 VanDerWaalsContact O-CB 3.27Å; I251-S255 WeakPolarHBondContact O-CB 3.47Å; I251-S255 PolarHBondContact O-N 3.36Å; I251-S255 PolarHBondContact O-OG 3.48Å; Q252-S255 PolarHBondContact O-N 2.95Å; Q252-S255 VanDerWaalsContact O-N 3.13Å; S255-I258 PolarHBondContact O-N 3.32Å; S255-W259 WeakPolarHBondContact O-CB 3.38Å; S255-W259 PolarHBondContact O-N 3.11Å
256	D	85.9	Confident	74.4	Confident	55 Å²	55	60.1 Å²	60.1	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-69.6	-38.2	-179.3	-64.4	-21.7	0	0	0	111.7	Y214 Q252 N260	Y214-D256 WeakPolarHBondContact CE2-OD1 3.43Å; Y214-D256 PolarHBondContact OH-OD1 2.95Å; Q252-D256 VanDerWaalsContact NE2-CG 3.3Å; Q252-D256 PolarHBondContact NE2-OD1 3.48Å; Q252-D256 VanDerWaalsContact NE2-OD1 3.12Å; Q252-D256 PolarHBondContact NE2-OD2 2.86Å; Q252-D256 WeakPolarHBondContact O-CB 3.38Å; Q252-D256 VanDerWaalsContact O-CG 3.28Å; Q252-D256 PolarHBondContact O-N 3.34Å; D256-N260 WeakPolarHBondContact O-CB 3.34Å; D256-N260 PolarHBondContact O-N 2.82Å; D256-N260 PolarHBondContact O-ND2 3.26Å
257	H	83.8	Confident	71.7	Confident	36 Å²	36	58.7 Å²	58.7	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-50	173.5	-174.8	-75.9	0	0	0	111.4	I253 W259 N260 S261	I253-H257 VanDerWaalsContact O-CB 3.27Å; I253-H257 WeakPolarHBondContact O-CB 3.31Å; I253-H257 PolarHBondContact O-N 3.44Å; H257-W259 VanDerWaalsContact C-N 3.29Å; H257-W259 PolarHBondContact O-N 3.08Å; H257-N260 PolarHBondContact O-N 2.91Å; H257-S261 VanDerWaalsContact O-CB 3.32Å; H257-S261 WeakPolarHBondContact O-CB 3.47Å; H257-S261 PolarHBondContact O-N 2.75Å; H257-S261 PolarHBondContact O-OG 3.38Å
258	I	85.5	Confident	68.9	Low	5 Å²	5	61.4 Å²	61.4	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-33.5	-179.8	-69.4	166.9	0	0	0	111.3	L163 L204 L217 L254 S255 S262	L163-I258 WeakPolarHBondContact O-CD1 3.32Å; L204-I258 HydrophobicContact CD1-CG2 3.96Å; L204-I258 HydrophobicContact CD2-CG2 4.37Å; L217-I258 HydrophobicContact CD1-CB 4.37Å; L217-I258 HydrophobicContact CD1-CD1 4.34Å; L217-I258 HydrophobicContact CD1-CG2 3.85Å; L217-I258 HydrophobicContact CD2-CB 4.16Å; L217-I258 HydrophobicContact CD2-CG2 3.89Å; L254-I258 VanDerWaalsContact O-CB 3.26Å; L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 3.43Å; S255-I258 PolarHBondContact O-N 3.32Å; I258-S262 WeakPolarHBondContact O-CB 3.32Å
259	W	84.6	Confident	66.1	Low	90 Å²	90	63.6 Å²	63.6	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-75.1	-46.6	176.7	-168.3	-99.7	0	0	0	112.2	L212 Y214 L217 S255 H257 S262	L212-W259 WeakPolarHBondContact O-CZ3 3.29Å; Y214-W259 HydrophobicContact CD2-CB 3.98Å; Y214-W259 AromaticContact CD2-CD2 3.76Å; Y214-W259 HydrophobicContact CD2-CD2 3.76Å; Y214-W259 HydrophobicContact CD2-CE3 4.05Å; Y214-W259 AromaticContact CD2-CG 3.73Å; Y214-W259 HydrophobicContact CD2-CG 3.73Å; Y214-W259 HydrophobicContact CE2-CB 4.16Å; Y214-W259 HydrophobicContact CE2-CG 4.28Å; Y214-W259 VanDerWaalsContact N-CZ3 3.29Å; L217-W259 HydrophobicContact CD2-CB 4.33Å; L217-W259 HydrophobicContact CD2-CE3 4.25Å; S255-W259 WeakPolarHBondContact O-CB 3.38Å; S255-W259 PolarHBondContact O-N 3.11Å; H257-W259 VanDerWaalsContact C-N 3.29Å; H257-W259 PolarHBondContact O-N 3.08Å; W259-S262 WeakPolarHBondContact O-CA 3.35Å; W259-S262 WeakPolarHBondContact O-CB 3.27Å; W259-S262 PolarHBondContact O-N 3.05Å; W259-S262 VanDerWaalsContact O-N 3.09Å; W259-S262 PolarHBondContact O-OG 3.34Å
260	N	78.3	Confident	63.3	Low	102 Å²	102	64.9 Å²	64.9	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-78.4	-32	-173.6	-64.3	-30.5	0	0	0	112.8	D256 H257 S262 V263	D256-N260 WeakPolarHBondContact O-CB 3.34Å; D256-N260 PolarHBondContact O-N 2.82Å; D256-N260 PolarHBondContact O-ND2 3.26Å; H257-N260 PolarHBondContact O-N 2.91Å; N260-S262 PolarHBondContact O-N 3.1Å; N260-S262 VanDerWaalsContact O-N 3.15Å; N260-V263 PolarHBondContact O-N 3.41Å
261	S	67	Low	60.3	Low	46 Å²	46	70 Å²	70	32%	0.322	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	167.1	73.4	0	0	0	0	113	H257	H257-S261 VanDerWaalsContact O-CB 3.32Å; H257-S261 WeakPolarHBondContact O-CB 3.47Å; H257-S261 PolarHBondContact O-N 2.75Å; H257-S261 PolarHBondContact O-OG 3.38Å
262	S	54.2	Low	57.3	Low	24 Å²	24	74.6 Å²	74.6	17%	0.168	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-16.4	177	98.7	0	0	0	0	114	R209 I258 W259 N260	R209-S262 WeakPolarHBondContact CD-O 3.48Å; R209-S262 VanDerWaalsContact NH1-C 3.28Å; R209-S262 VanDerWaalsContact NH1-CA 3.34Å; R209-S262 PolarHBondContact NH1-O 3.39Å; I258-S262 WeakPolarHBondContact O-CB 3.32Å; W259-S262 WeakPolarHBondContact O-CA 3.35Å; W259-S262 WeakPolarHBondContact O-CB 3.27Å; W259-S262 PolarHBondContact O-N 3.05Å; W259-S262 VanDerWaalsContact O-N 3.09Å; W259-S262 PolarHBondContact O-OG 3.34Å; N260-S262 PolarHBondContact O-N 3.1Å; N260-S262 VanDerWaalsContact O-N 3.15Å
263	V	41.9	Very low	54.4	Low	72 Å²	72	76 Å²	76	44%	0.436	46%	0.462	S	S	.	.	S	Bend	trans	-83	141.1	-177.8	-176.5	0	0	0	0	110.8	N260	N260-V263 PolarHBondContact O-N 3.41Å
264	N	39.1	Very low	51.3	Low	98 Å²	98	78.3 Å²	78.3	52%	0.524	48%	0.484	S	S	.	.			trans	-66.5	126.8	-178.2	-177	-19.2	0	0	0	110.8	N266 S267	N264-N266 PolarHBondContact O-N 3.47Å; N264-N266 PolarHBondContact OD1-N 3.04Å; N264-N266 VanDerWaalsContact OD1-N 3.13Å; N264-S267 VanDerWaalsContact O-CB 3.31Å; N264-S267 WeakPolarHBondContact O-CB 3.44Å; N264-S267 PolarHBondContact O-N 2.98Å; N264-S267 PolarHBondContact O-OG 3.36Å
265	P	37.7	Very low	48.4	Very low	116 Å²	116	86.8 Å²	86.8	75%	0.753	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.2	-177	25.3	-35.8	0	0	0	114.7	S267	P265-S267 VanDerWaalsContact C-N 3.25Å; P265-S267 PolarHBondContact O-N 2.9Å
266	N	32	Very low	45.2	Very low	140 Å²	140	95.3 Å²	95.3	75%	0.749	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	6.5	174.3	-64.7	-18.9	0	0	0	113.5	N264	N264-N266 PolarHBondContact O-N 3.47Å; N264-N266 PolarHBondContact OD1-N 3.04Å; N264-N266 VanDerWaalsContact OD1-N 3.13Å
267	S	29	Very low	42.4	Very low	57 Å²	57	96.7 Å²	96.7	40%	0.399	58%	0.58	S	S	.	*	S	Bend	trans	-81.4	125.7	173.1	-44	0	0	0	0	109.3	N264 P265	N264-S267 VanDerWaalsContact O-CB 3.31Å; N264-S267 WeakPolarHBondContact O-CB 3.44Å; N264-S267 PolarHBondContact O-N 2.98Å; N264-S267 PolarHBondContact O-OG 3.36Å; P265-S267 VanDerWaalsContact C-N 3.25Å; P265-S267 PolarHBondContact O-N 2.9Å
268	P	26.2	Very low	39.5	Very low	112 Å²	112	102.4 Å²	102.4	73%	0.727	61%	0.611	S	S	*	*			trans	-61.2	143.8	167.9	28	-33.9	0	0	0	109.1	S270	P268-S270 PolarHBondContact O-N 2.91Å
269	P	29	Very low	36.7	Very low	133 Å²	133	109.2 Å²	109.2	86%	0.864	65%	0.648	S	S	*	*			trans	-64.2	104.6	-177.9	25.6	-33.7	0	0	0	110.1	S271	P269-S271 PolarHBondContact O-N 3.44Å
270	S	25.3	Very low	33.9	Very low	108 Å²	108	110.4 Å²	110.4	76%	0.755	67%	0.667	S	S	*	*			trans	-69.7	93.5	177.3	57.6	0	0	0	0	109.7	P268 S272	P268-S270 PolarHBondContact O-N 2.91Å; S270-S272 PolarHBondContact O-N 3.06Å
271	S	25.7	Very low	31.3	Very low	111 Å²	111	115.6 Å²	115.6	78%	0.776	68%	0.68	S	S	*	*			trans	21.8	95.1	163.6	58.8	0	0	0	0	115.2	P269	P269-S271 PolarHBondContact O-N 3.44Å
272	S	26.8	Very low	29.4	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	70%	0.704	S	S	*	*			trans	-46.6	138.3	179.7	-48	0	0	0	0	112.9	S270 S274	S270-S272 PolarHBondContact O-N 3.06Å; S272-S274 PolarHBondContact O-N 3.04Å
273	P	26	Very low	27.9	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	74%	0.739	S	S	*	*			trans	-65.5	108.8	174.1	27.4	-33.3	0	0	0	109.7	F275	P273-F275 PolarHBondContact O-N 2.81Å
274	S	21.8	Very low	27.3	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	74%	0.737	S	S	*	*			trans	-74.2	95	-177.4	55	0	0	0	0	111.5	S272	S272-S274 PolarHBondContact O-N 3.04Å
275	F	26.7	Very low	26.6	Very low	180 Å²	180	131.4 Å²	131.4	79%	0.789	74%	0.744	S	S	*	*			trans	-114.5	65.6	167.8	-84.9	-79.7	0	0	0	111.7	P273	P273-F275 PolarHBondContact O-N 2.81Å
276	L	23.7	Very low	26.3	Very low	179 Å²	179	131.5 Å²	131.5	94%	0.937	74%	0.737	S	S	*	*			trans	-82.7	106.3	144.1	-77.2	171.1	0	0	0	106.8
277	S	26.4	Very low	25.9	Very low	84 Å²	84	129.5 Å²	129.5	59%	0.587	73%	0.726	S	S	*	*			trans	-132.4	118.4	168.8	60	0	0	0	0	107.8
278	D	23.7	Very low	25.8	Very low	156 Å²	156	131 Å²	131	83%	0.834	74%	0.737	S	S	*	*			trans	-61.5	134.4	-163.3	-57.7	-83.3	0	0	0	114.3
279	N	26.2	Very low	25.8	Very low	148 Å²	148	130.1 Å²	130.1	79%	0.791	74%	0.739	S	S	*	*			trans	-155.5	84.1	169.1	-113.8	-54.5	0	0	0	110.2	Y281	N279-Y281 PolarHBondContact O-N 3.31Å
280	P	25.1	Very low	25.8	Very low	114 Å²	114	130 Å²	130	74%	0.74	74%	0.735	S	S	*	*			trans	-79.1	28.6	-165.6	32.5	-37.2	0	0	0	115.4
281	Y	23.7	Very low	25.7	Very low	212 Å²	212	132.5 Å²	132.5	83%	0.831	73%	0.733	S	S	*	*			trans	-143.5	65.1	-176.9	-81.9	-71.3	0	0	0	115.2	N279	N279-Y281 PolarHBondContact O-N 3.31Å
282	R	27.3	Very low	25.7	Very low	216 Å²	216	132.1 Å²	132.1	82%	0.815	73%	0.73	S	S	*	*			trans	-149	103.7	148.3	-80.9	-152.9	176.4	-149.7	-2.4	112.5	I284	R282-I284 PolarHBondContact O-N 3.3Å; R282-I284 VanDerWaalsContact O-N 3.08Å
283	N	22.8	Very low	25.6	Very low	170 Å²	170	134.1 Å²	134.1	91%	0.909	73%	0.725	S	S	*	*			trans	-71.3	97.2	162.6	-83.5	-18.6	0	0	0	109.7
284	I	28.1	Very low	25.6	Very low	75 Å²	75	133.9 Å²	133.9	39%	0.385	73%	0.726	S	S	.	*			trans	-130.8	105.4	166.7	-69.2	-178.2	0	0	0	106.3	R282 I286	R282-I284 PolarHBondContact O-N 3.3Å; R282-I284 VanDerWaalsContact O-N 3.08Å; I284-I286 VanDerWaalsContact C-N 3.28Å; I284-I286 HydrophobicContact CG2-CG1 4.1Å; I284-I286 PolarHBondContact O-N 3.25Å
285	T	25.4	Very low	25.6	Very low	111 Å²	111	132.3 Å²	132.3	68%	0.681	72%	0.715	S	S	*	*			trans	-81.4	67.5	-163.7	-45.3	0	0	0	0	112.5	N287	T285-N287 PolarHBondContact O-N 3.35Å; T285-N287 VanDerWaalsContact O-N 3.16Å
286	I	31.7	Very low	25.5	Very low	118 Å²	118	131.4 Å²	131.4	61%	0.605	72%	0.718	S	S	*	*			trans	-70.4	108.1	171	-53.9	176.9	0	0	0	108.1	I284 S288	I284-I286 VanDerWaalsContact C-N 3.28Å; I284-I286 HydrophobicContact CG2-CG1 4.1Å; I284-I286 PolarHBondContact O-N 3.25Å; I286-S288 PolarHBondContact O-N 3.32Å
287	N	23.3	Very low	25.6	Very low	97 Å²	97	131.2 Å²	131.2	52%	0.519	71%	0.712	S	S	.	*			trans	-74.1	72.6	166	-76.2	-66.5	0	0	0	109.2	T285 A289 K742	T285-N287 PolarHBondContact O-N 3.35Å; T285-N287 VanDerWaalsContact O-N 3.16Å; N287-A289 PolarHBondContact O-N 3.42Å; N287-K742 PolarHBondContact OD1-NZ 2.94Å
288	S	27.7	Very low	25.4	Very low	90 Å²	90	132 Å²	132	63%	0.629	72%	0.717	S	S	*	*			trans	-73	74.2	-177.3	57.5	0	0	0	0	111.7	I286 V290	I286-S288 PolarHBondContact O-N 3.32Å; S288-V290 PolarHBondContact O-N 2.64Å
289	A	24.5	Very low	25.3	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	72%	0.718	S	S	*	*			trans	-76.4	42.9	169	0	0	0	0	0	112	N287 K291	N287-A289 PolarHBondContact O-N 3.42Å; A289-K291 PolarHBondContact O-N 3.02Å
290	V	29.1	Very low	25.3	Very low	131 Å²	131	132.4 Å²	132.4	79%	0.794	72%	0.718	S	S	*	*			trans	-73.5	72.7	166.1	-174.9	0	0	0	0	107.4	S288 S292	S288-V290 PolarHBondContact O-N 2.64Å; V290-S292 PolarHBondContact O-N 2.8Å; V290-S292 VanDerWaalsContact O-N 3.15Å
291	K	24.6	Very low	25.2	Very low	161 Å²	161	134.4 Å²	134.4	70%	0.7	72%	0.723	S	S	*	*			trans	-68.9	108.7	168.4	-84.3	-168.9	172.2	-174.3	0	107.8	A289 F293	A289-K291 PolarHBondContact O-N 3.02Å; K291-F293 VanDerWaalsContact C-N 3.3Å; K291-F293 HydrophobicContact CB-CD2 3.86Å; K291-F293 HydrophobicContact CB-CE2 3.89Å; K291-F293 HydrophobicContact CD-CE2 3.92Å; K291-F293 HydrophobicContact CD-CZ 4.45Å; K291-F293 PolarHBondContact O-N 3.24Å
292	S	24.3	Very low	25.3	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	72%	0.723	S	S	*	*			trans	-60.9	88.8	166.8	51.7	0	0	0	0	110	V290 S294	V290-S292 PolarHBondContact O-N 2.8Å; V290-S292 VanDerWaalsContact O-N 3.15Å; S292-S294 PolarHBondContact O-N 3.45Å
293	F	25.8	Very low	25.1	Very low	152 Å²	152	131.6 Å²	131.6	67%	0.667	73%	0.726	S	S	*	*			trans	-79.1	55.9	175.3	-95.8	-75.3	0	0	0	111.9	K291 S295	K291-F293 VanDerWaalsContact C-N 3.3Å; K291-F293 HydrophobicContact CB-CD2 3.86Å; K291-F293 HydrophobicContact CB-CE2 3.89Å; K291-F293 HydrophobicContact CD-CE2 3.92Å; K291-F293 HydrophobicContact CD-CZ 4.45Å; K291-F293 PolarHBondContact O-N 3.24Å; F293-S295 WeakPolarHBondContact CD1-OG 3.17Å; F293-S295 PolarHBondContact O-N 2.63Å
294	S	24.7	Very low	25.2	Very low	111 Å²	111	131 Å²	131	78%	0.776	72%	0.717	S	S	*	*			trans	-78.9	53.6	163.9	57.5	0	0	0	0	110.2	S292	S292-S294 PolarHBondContact O-N 3.45Å
295	S	22.6	Very low	25.2	Very low	80 Å²	80	136.1 Å²	136.1	56%	0.559	74%	0.739	S	S	*	*			trans	-155.3	48	-172.7	71.5	0	0	0	0	112.8	F293	F293-S295 WeakPolarHBondContact CD1-OG 3.17Å; F293-S295 PolarHBondContact O-N 2.63Å
296	L	25.4	Very low	25.3	Very low	161 Å²	161	137.3 Å²	137.3	84%	0.843	74%	0.74	S	S	*	*			trans	-146.5	47.7	169.8	-110.5	169.7	0	0	0	109.7
297	Q	25.3	Very low	25.3	Very low	175 Å²	175	133.6 Å²	133.6	82%	0.818	72%	0.724	S	S	*	*			trans	-135	61	-171.3	-162.3	76.4	42	0	0	110.9
298	S	22.5	Very low	26.2	Very low	99 Å²	99	136 Å²	136	69%	0.692	73%	0.732	S	S	*	*			trans	-133.9	111.1	170.2	55.6	0	0	0	0	108.6
299	D	22	Very low	27.1	Very low	159 Å²	159	134 Å²	134	85%	0.85	72%	0.716	S	S	*	*			trans	64.8	144.1	175.9	-47.3	-45.8	0	0	0	115.4
300	I	25.1	Very low	29	Very low	155 Å²	155	132.7 Å²	132.7	80%	0.795	70%	0.698	S	S	*	*			cis	-130.8	144.5	9.6	-64.9	168.8	0	0	0	109.9	H302	I300-H302 PolarHBondContact O-N 2.77Å
301	N	23.3	Very low	31.2	Very low	156 Å²	156	126.9 Å²	126.9	83%	0.834	66%	0.663	S	S	*	*			trans	-66.9	105.2	168.9	-75.3	-57.1	0	0	0	112.3
302	H	24.8	Very low	33.9	Very low	179 Å²	179	122 Å²	122	83%	0.829	64%	0.642	S	S	*	*			trans	-155.8	142.6	157.8	-107.8	36.7	0	0	0	112.5	I300 H304	I300-H302 PolarHBondContact O-N 2.77Å; H302-H304 PolarHBondContact O-N 2.83Å
303	H	24.3	Very low	36.7	Very low	190 Å²	190	117.3 Å²	117.3	88%	0.88	61%	0.609	S	S	*	*			trans	-80.8	102.3	-179.1	-76.2	-11	0	0	0	112.9
304	H	25	Very low	39.6	Very low	157 Å²	157	111 Å²	111	73%	0.727	58%	0.582	S	S	*	*			trans	-144.9	141.5	157.3	-86.4	-36.4	0	0	0	110.9	H302 L306	H302-H304 PolarHBondContact O-N 2.83Å; H304-L306 PolarHBondContact O-N 2.86Å
305	H	27.1	Very low	42.5	Very low	183 Å²	183	105.8 Å²	105.8	85%	0.847	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-52.8	125.1	-179.7	-74.1	-93.9	0	0	0	111.9	K335	H305-K335 PolarHBondContact O-NZ 2.99Å
306	L	27.9	Very low	45.3	Very low	136 Å²	136	103.4 Å²	103.4	71%	0.712	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-81.9	137.2	157.1	-81.6	78.6	0	0	0	108.1	H304 K335	H304-L306 PolarHBondContact O-N 2.86Å; L306-K335 HydrophobicContact CG-CD 4.5Å
307	P	32.2	Very low	48	Very low	39 Å²	39	96.7 Å²	96.7	25%	0.253	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-73.7	166.2	171.7	35.4	-35.2	0	0	0	109.7	T309 N334 K335	P307-T309 PolarHBondContact O-N 3.47Å; P307-N334 WeakPolarHBondContact CG-O 3.13Å; P307-K335 HydrophobicContact CG-CD 4.32Å; P307-K335 HydrophobicContact CG-CG 4.18Å
308	H	41.9	Very low	50.5	Low	148 Å²	148	90.5 Å²	90.5	69%	0.685	46%	0.464	S	S	*	.			trans	-80.7	103.3	-172.9	-66.1	-69.6	0	0	0	112.1	T310	H308-T310 PolarHBondContact O-N 3.15Å
309	T	47.3	Very low	52.5	Low	48 Å²	48	92.4 Å²	92.4	29%	0.294	47%	0.465	S	S	.	.			trans	-53.1	105	160.5	-54.4	0	0	0	0	109.1	P307 F331 S332	P307-T309 PolarHBondContact O-N 3.47Å; T309-F331 HydrophobicContact CG2-CB 4.12Å; T309-F331 HydrophobicContact CG2-CD1 4.41Å; T309-S332 WeakPolarHBondContact CG2-O 3.42Å
310	T	63	Low	54.4	Low	65 Å²	65	89.7 Å²	89.7	40%	0.399	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.3	171.8	30.2	0	0	0	0	110.7	H308 S332	H308-T310 PolarHBondContact O-N 3.15Å; T310-S332 PolarHBondContact N-OG 3.09Å; T310-S332 PolarHBondContact O-N 3Å; T310-S332 PolarHBondContact O-OG 2.97Å; T310-S332 VanDerWaalsContact O-OG 3.07Å; T310-S332 PolarHBondContact OG1-OG 3.42Å
311	V	75.3	Confident	56	Low	8 Å²	8	88.7 Å²	88.7	5%	0.048	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.6	-179.7	-166.2	0	0	0	0	108.8	L201 L329 V330 F331	L201-V311 HydrophobicContact CB-CB 4.34Å; L201-V311 HydrophobicContact CD1-CG1 4.41Å; L201-V311 PolarHBondContact N-O 3.05Å; V311-L329 HydrophobicContact CG1-CD2 4Å; V311-V330 CarbonylContact C-O 3.49Å; V311-V330 WeakPolarHBondContact CA-O 3.26Å; V311-F331 HydrophobicContact CB-CD1 4.31Å; V311-F331 HydrophobicContact CB-CE1 4.36Å; V311-F331 HydrophobicContact CG1-CD1 3.9Å; V311-F331 HydrophobicContact CG1-CE1 3.71Å; V311-F331 HydrophobicContact CG1-CE2 4.41Å; V311-F331 HydrophobicContact CG1-CG 4.31Å; V311-F331 HydrophobicContact CG1-CZ 3.98Å; V311-F331 HydrophobicContact CG2-CD1 3.56Å; V311-F331 HydrophobicContact CG2-CE1 3.66Å
312	F	81.5	Confident	57.4	Low	60 Å²	60	88.9 Å²	88.9	26%	0.263	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.1	-178.7	-56.3	-92.3	0	0	0	108.9	P200 V330	P200-F312 HydrophobicContact CB-CD1 3.74Å; P200-F312 HydrophobicContact CB-CE1 3.79Å; P200-F312 HydrophobicContact CG-CD1 3.83Å; P200-F312 HydrophobicContact CG-CE1 3.95Å; F312-V330 PolarHBondContact N-O 3.45Å; F312-V330 PolarHBondContact O-N 3.26Å
313	L	84.8	Confident	58.7	Low	2 Å²	2	85.7 Å²	85.7	1%	0.01	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.7	165.3	177.9	66.3	0	0	0	108.3	L199 L201 L250 L254 L327 L329	L199-L313 HydrophobicContact CB-CB 4.28Å; L199-L313 HydrophobicContact CD1-CD2 4.34Å; L199-L313 PolarHBondContact N-O 2.92Å; L199-L313 PolarHBondContact O-N 3.42Å; L201-L313 HydrophobicContact CD1-CB 4.25Å; L201-L313 HydrophobicContact CD2-CB 4.42Å; L201-L313 HydrophobicContact CG-CB 4.44Å; L250-L313 HydrophobicContact CD1-CD2 3.57Å; L254-L313 HydrophobicContact CD2-CD2 3.76Å; L254-L313 HydrophobicContact CG-CD2 4.21Å; L313-L327 HydrophobicContact CD1-CB 4.35Å; L313-L327 HydrophobicContact CD1-CD2 4.18Å; L313-L327 HydrophobicContact CD2-CD2 4.33Å; L313-L327 HydrophobicContact CG-CD2 4.42Å; L313-L329 HydrophobicContact CB-CD2 4.11Å; L313-L329 HydrophobicContact CD1-CD2 4.12Å; L313-L329 HydrophobicContact CD1-CG 4.03Å
314	L	85.5	Confident	60.4	Low	21 Å²	21	81.7 Å²	81.7	11%	0.11	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.9	171.3	-62.5	-178.5	0	0	0	110.3	T192 K196 L197 C198 E328 V330	T192-L314 HydrophobicContact CG2-CD2 3.82Å; K196-L314 HydrophobicContact CD-CB 4.38Å; K196-L314 HydrophobicContact CD-CD1 4.04Å; L197-L314 CarbonylContact O-C 3.45Å; L197-L314 VanDerWaalsContact O-CA 3.26Å; L197-L314 WeakPolarHBondContact O-CA 3.44Å; C198-L314 HydrophobicContact CB-CD2 3.86Å; L314-E328 HydrophobicContact CB-CB 4.29Å; L314-E328 PolarHBondContact N-O 2.74Å; L314-E328 PolarHBondContact O-N 3.26Å; L314-V330 HydrophobicContact CD1-CG2 3.75Å; L314-V330 HydrophobicContact CG-CG2 4.17Å
315	I	85.1	Confident	62.2	Low	1 Å²	1	75.4 Å²	75.4	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123	174	-29.5	-176.2	0	0	0	109.7	K196 L197 L199 L245 L250 N326 L327	K196-I315 CarbonylContact C-O 3.56Å; K196-I315 WeakPolarHBondContact CA-O 3.32Å; L197-I315 HydrophobicContact CB-CB 4.08Å; L197-I315 HydrophobicContact CB-CD1 4.47Å; L197-I315 HydrophobicContact CB-CG1 4.15Å; L197-I315 PolarHBondContact N-O 2.79Å; L197-I315 PolarHBondContact O-N 3.29Å; L199-I315 HydrophobicContact CD1-CD1 4.22Å; L245-I315 HydrophobicContact CD2-CD1 3.79Å; L245-I315 HydrophobicContact CD2-CG2 3.82Å; L250-I315 HydrophobicContact CD1-CD1 4.07Å; L250-I315 HydrophobicContact CD2-CD1 4.32Å; I315-N326 WeakPolarHBondContact CA-O 3.37Å; I315-N326 WeakPolarHBondContact CG2-O 3.27Å; I315-L327 HydrophobicContact CB-CD2 4.21Å; I315-L327 HydrophobicContact CD1-CD2 3.92Å; I315-L327 HydrophobicContact CG1-CD2 3.77Å; I315-L327 HydrophobicContact CG2-CD2 3.69Å; I315-L327 HydrophobicContact CG2-CG 4.33Å
316	T	82.4	Confident	64.3	Low	29 Å²	29	71.7 Å²	71.7	18%	0.178	37%	0.371	C	S	.	.			trans	-79.9	143.4	179.4	68.2	0	0	0	0	111.3	K196 T325 N326	K196-T316 HydrophobicContact CD-CG2 4.49Å; K196-T316 HydrophobicContact CG-CG2 4.35Å; T316-T325 WeakPolarHBondContact O-CB 3.44Å; T316-T325 VanDerWaalsContact O-CG2 3.31Å; T316-T325 WeakPolarHBondContact O-CG2 3.36Å; T316-N326 HydrophobicContact CG2-CB 4.17Å; T316-N326 PolarHBondContact N-O 3.45Å; T316-N326 PolarHBondContact OG1-N 3.32Å
317	P	81.1	Confident	66.6	Low	20 Å²	20	68.8 Å²	68.8	13%	0.13	36%	0.355	C	S	.	.			trans	-65.5	156.4	169.7	28.1	-33.6	0	0	0	111.4	N242 F243 L319	N242-P317 CarbonylContact O-C 3.6Å; N242-P317 VanDerWaalsContact O-CA 3.32Å; N242-P317 WeakPolarHBondContact O-CA 3.44Å; F243-P317 HydrophobicContact CD1-CB 4.2Å; F243-P317 HydrophobicContact CE1-CB 3.73Å; F243-P317 HydrophobicContact CE1-CG 4.32Å; F243-P317 HydrophobicContact CZ-CB 3.94Å; P317-L319 PolarHBondContact O-N 2.84Å
318	K	78.6	Confident	68.5	Low	45 Å²	45	71.2 Å²	71.2	20%	0.196	36%	0.363	C	S	.	.			trans	-75.6	109.5	171.9	-170.2	-178.1	-165.3	-163.3	0	108.9	N242 D244 N320 D321 Y323 T325	N242-K318 HydrophobicContact CB-CB 4.47Å; N242-K318 PolarHBondContact O-N 3.23Å; D244-K318 HydrophobicContact CB-CD 4.3Å; K318-N320 WeakPolarHBondContact CE-O 3.27Å; K318-D321 VanDerWaalsContact CE-O 3.23Å; K318-D321 WeakPolarHBondContact CE-O 3.38Å; K318-D321 PolarHBondContact NZ-O 2.95Å; K318-D321 IonicContact NZ-OD1 3.67Å; K318-D321 PolarHBondContact NZ-OD1 3.29Å; K318-Y323 WeakPolarHBondContact CE-O 3.48Å; K318-Y323 WeakPolarHBondContact CG-O 3.39Å; K318-T325 HydrophobicContact CB-CG2 4.42Å
319	L	65	Low	69.9	Low	139 Å²	139	67.4 Å²	67.4	73%	0.728	35%	0.348	S	S	*	.			trans	-74.7	-42.9	-176.6	-70.1	167.4	0	0	0	113.4	P317	P317-L319 PolarHBondContact O-N 2.84Å
320	N	60.6	Low	71	Confident	102 Å²	102	67.7 Å²	67.7	55%	0.545	35%	0.349	S	S	.	.	S	Bend	trans	-147.5	166.9	176.2	-42.9	84.1	0	0	0	108.6	K318 N322 Y323	K318-N320 WeakPolarHBondContact CE-O 3.27Å; N320-N322 PolarHBondContact O-N 2.79Å; N320-N322 VanDerWaalsContact O-N 3.1Å; N320-Y323 HydrophobicContact CB-CD2 4.05Å; N320-Y323 PolarHBondContact O-N 2.85Å
321	D	58.6	Low	70.9	Confident	135 Å²	135	70 Å²	70	72%	0.722	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.5	-171.7	-86	-53	0	0	0	116.1	K318 Y323	K318-D321 VanDerWaalsContact CE-O 3.23Å; K318-D321 WeakPolarHBondContact CE-O 3.38Å; K318-D321 PolarHBondContact NZ-O 2.95Å; K318-D321 IonicContact NZ-OD1 3.67Å; K318-D321 PolarHBondContact NZ-OD1 3.29Å; D321-Y323 VanDerWaalsContact C-N 3.35Å
322	N	53.2	Low	69.5	Low	160 Å²	160	71.4 Å²	71.4	86%	0.856	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.7	178.7	-63.1	-12.3	0	0	0	114.4	N320	N320-N322 PolarHBondContact O-N 2.79Å; N320-N322 VanDerWaalsContact O-N 3.1Å
323	Y	53.3	Low	67.2	Low	111 Å²	111	74.9 Å²	74.9	44%	0.435	39%	0.386	S	S	.	.			trans	-105	147.2	177.7	-67.6	-84.4	0	0	0	110.9	K318 N320 D321 K744	K318-Y323 WeakPolarHBondContact CE-O 3.48Å; K318-Y323 WeakPolarHBondContact CG-O 3.39Å; N320-Y323 HydrophobicContact CB-CD2 4.05Å; N320-Y323 PolarHBondContact O-N 2.85Å; D321-Y323 VanDerWaalsContact C-N 3.35Å; Y323-K744 PolarHBondContact OH-NZ 3.25Å; Y323-K744 VanDerWaalsContact OH-NZ 3.13Å
324	Q	59	Low	64.4	Low	106 Å²	106	78.3 Å²	78.3	50%	0.495	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-100.7	158.1	173.1	-69	-178.9	-49.9	0	0	110.8	N326	Q324-N326 PolarHBondContact O-N 3.16Å
325	T	63.4	Low	61.7	Low	26 Å²	26	82.5 Å²	82.5	16%	0.16	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-69.9	126	172.5	55.2	0	0	0	0	110.2	D244 T316 K318	D244-T325 HydrophobicContact CB-CG2 4.27Å; D244-T325 VanDerWaalsContact N-CG2 3.28Å; D244-T325 PolarHBondContact O-OG1 3.15Å; T316-T325 WeakPolarHBondContact O-CB 3.44Å; T316-T325 VanDerWaalsContact O-CG2 3.31Å; T316-T325 WeakPolarHBondContact O-CG2 3.36Å; K318-T325 HydrophobicContact CB-CG2 4.42Å
326	N	70.6	Confident	58.7	Low	105 Å²	105	88.5 Å²	88.5	56%	0.561	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-86.2	146	173.5	-65.7	-54.4	0	0	0	110.6	I315 T316 Q324	I315-N326 WeakPolarHBondContact CA-O 3.37Å; I315-N326 WeakPolarHBondContact CG2-O 3.27Å; T316-N326 HydrophobicContact CG2-CB 4.17Å; T316-N326 PolarHBondContact N-O 3.45Å; T316-N326 PolarHBondContact OG1-N 3.32Å; Q324-N326 PolarHBondContact O-N 3.16Å
327	L	75.5	Confident	55.9	Low	74 Å²	74	90.8 Å²	90.8	39%	0.387	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.4	175.5	-72.4	161.8	0	0	0	108.1	L250 I253 L313 I315	L250-L327 HydrophobicContact CD1-CD2 4.21Å; I253-L327 HydrophobicContact CD1-CD1 3.81Å; L313-L327 HydrophobicContact CD1-CB 4.35Å; L313-L327 HydrophobicContact CD1-CD2 4.18Å; L313-L327 HydrophobicContact CD2-CD2 4.33Å; L313-L327 HydrophobicContact CG-CD2 4.42Å; I315-L327 HydrophobicContact CB-CD2 4.21Å; I315-L327 HydrophobicContact CD1-CD2 3.92Å; I315-L327 HydrophobicContact CG1-CD2 3.77Å; I315-L327 HydrophobicContact CG2-CD2 3.69Å; I315-L327 HydrophobicContact CG2-CG 4.33Å
328	E	73.2	Confident	53.2	Low	90 Å²	90	95.2 Å²	95.2	42%	0.421	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.5	-171.9	178.7	177.8	-147.7	0	0	109.9	K196 L314 V330	K196-E328 IonicContact NZ-OE2 3.83Å; L314-E328 HydrophobicContact CB-CB 4.29Å; L314-E328 PolarHBondContact N-O 2.74Å; L314-E328 PolarHBondContact O-N 3.26Å; E328-V330 HydrophobicContact CG-CG2 3.93Å
329	L	70.3	Confident	50.5	Low	68 Å²	68	102.7 Å²	102.7	36%	0.356	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118	175.3	-83.7	164.9	0	0	0	109.9	L201 V311 L313 F331	L201-L329 HydrophobicContact CD1-CD2 3.72Å; V311-L329 HydrophobicContact CG1-CD2 4Å; L313-L329 HydrophobicContact CB-CD2 4.11Å; L313-L329 HydrophobicContact CD1-CD2 4.12Å; L313-L329 HydrophobicContact CD1-CG 4.03Å; L329-F331 HydrophobicContact CB-CE2 4.23Å
330	V	71.6	Confident	48.5	Very low	55 Å²	55	102.6 Å²	102.6	33%	0.333	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.4	-177.5	-175.8	0	0	0	0	109.9	V311 F312 L314 E328	V311-V330 CarbonylContact C-O 3.49Å; V311-V330 WeakPolarHBondContact CA-O 3.26Å; F312-V330 PolarHBondContact N-O 3.45Å; F312-V330 PolarHBondContact O-N 3.26Å; L314-V330 HydrophobicContact CD1-CG2 3.75Å; L314-V330 HydrophobicContact CG-CG2 4.17Å; E328-V330 HydrophobicContact CG-CG2 3.93Å
331	F	60.2	Low	46.8	Very low	114 Å²	114	104 Å²	104	50%	0.5	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	125	-178.7	-62.5	-100.5	0	0	0	109.7	T309 V311 L329	T309-F331 HydrophobicContact CG2-CB 4.12Å; T309-F331 HydrophobicContact CG2-CD1 4.41Å; V311-F331 HydrophobicContact CB-CD1 4.31Å; V311-F331 HydrophobicContact CB-CE1 4.36Å; V311-F331 HydrophobicContact CG1-CD1 3.9Å; V311-F331 HydrophobicContact CG1-CE1 3.71Å; V311-F331 HydrophobicContact CG1-CE2 4.41Å; V311-F331 HydrophobicContact CG1-CG 4.31Å; V311-F331 HydrophobicContact CG1-CZ 3.98Å; V311-F331 HydrophobicContact CG2-CD1 3.56Å; V311-F331 HydrophobicContact CG2-CE1 3.66Å; L329-F331 HydrophobicContact CB-CE2 4.23Å
332	S	46.9	Very low	45.2	Very low	37 Å²	37	103.7 Å²	103.7	26%	0.259	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.5	99.9	176.2	62.4	0	0	0	0	111	T309 T310 N334	T309-S332 WeakPolarHBondContact CG2-O 3.42Å; T310-S332 PolarHBondContact N-OG 3.09Å; T310-S332 PolarHBondContact O-N 3Å; T310-S332 PolarHBondContact O-OG 2.97Å; T310-S332 VanDerWaalsContact O-OG 3.07Å; T310-S332 PolarHBondContact OG1-OG 3.42Å; S332-N334 PolarHBondContact O-N 2.87Å; S332-N334 VanDerWaalsContact O-N 3.13Å
333	N	32.1	Very low	43.9	Very low	133 Å²	133	103.8 Å²	103.8	71%	0.711	55%	0.551	S	S	*	*			trans	-78.4	89.9	-177.3	-83.3	-9	0	0	0	113.3	K335	N333-K335 PolarHBondContact O-N 2.91Å
334	N	26.4	Very low	42.5	Very low	74 Å²	74	103.2 Å²	103.2	40%	0.396	56%	0.559	S	S	.	*			trans	-84.4	64.2	168.2	-81.7	22.9	0	0	0	112.3	P307 S332 I771	P307-N334 WeakPolarHBondContact CG-O 3.13Å; S332-N334 PolarHBondContact O-N 2.87Å; S332-N334 VanDerWaalsContact O-N 3.13Å; N334-I771 PolarHBondContact ND2-O 2.88Å
335	K	28.4	Very low	40.8	Very low	109 Å²	109	106 Å²	106	47%	0.474	57%	0.572	S	S	.	*			trans	-159.9	113.9	155.4	-129.2	-175.2	-171.7	177.8	0	116.1	H305 L306 P307 N333	H305-K335 PolarHBondContact O-NZ 2.99Å; L306-K335 HydrophobicContact CG-CD 4.5Å; P307-K335 HydrophobicContact CG-CD 4.32Å; P307-K335 HydrophobicContact CG-CG 4.18Å; N333-K335 PolarHBondContact O-N 2.91Å
336	S	21.6	Very low	38.9	Very low	126 Å²	126	110.5 Å²	110.5	88%	0.881	60%	0.595	S	S	*	*			trans	-132	97.1	146.2	55	0	0	0	0	107.6
337	S	24.6	Very low	36.7	Very low	78 Å²	78	112 Å²	112	55%	0.545	60%	0.601	S	S	.	*			trans	-156	119.2	-175.1	-177.6	0	0	0	0	112.9
338	C	23.4	Very low	34.1	Very low	113 Å²	113	119.7 Å²	119.7	76%	0.764	63%	0.625	S	S	*	*			trans	65.1	154.4	160.9	-67.1	0	0	0	0	117.6
339	R	22.6	Very low	31.8	Very low	202 Å²	202	118.3 Å²	118.3	76%	0.762	64%	0.635	S	S	*	*			cis	-163.3	146.2	1.4	-133.1	175	-177.9	172.6	1.8	110.5
340	T	24.1	Very low	29.6	Very low	136 Å²	136	125.3 Å²	125.3	83%	0.834	66%	0.658	S	S	*	*			trans	-152.4	126.4	142.8	45.1	0	0	0	0	110.6
341	N	22.9	Very low	27.4	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-74.4	153.3	159.1	-71.4	-14	0	0	0	109.4
342	P	25.8	Very low	25.7	Very low	128 Å²	128	132.3 Å²	132.3	83%	0.831	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-94.5	144.5	138	31.7	-29.2	0	0	0	110.7
343	H	25.5	Very low	24.6	Very low	161 Å²	161	135 Å²	135	75%	0.745	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-81	142.6	-164.8	-114.1	-95.9	0	0	0	114.9
344	T	24	Very low	24.3	Very low	99 Å²	99	134.6 Å²	134.6	61%	0.607	70%	0.703	S	S	*	*			trans	27.9	126.6	141.4	51.6	0	0	0	0	121.7
345	Q	24.1	Very low	24.2	Very low	165 Å²	165	137.6 Å²	137.6	77%	0.771	72%	0.718	S	S	*	*			trans	82.8	129	137	-72.1	-177.7	13.5	0	0	121.9
346	N	22.3	Very low	23.9	Very low	121 Å²	121	139.1 Å²	139.1	65%	0.647	73%	0.73	S	S	*	*			trans	81	119.2	134	-76.4	-28.5	0	0	0	122.9
347	I	24.3	Very low	24.1	Very low	135 Å²	135	139.3 Å²	139.3	69%	0.692	72%	0.721	S	S	*	*				77.1	119.5	129.5	-63.3	169.7	0	0	0	118.6
348	R	23	Very low	24.1	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	73%	0.727	S	S	*	*			trans	37.6	127.8	152.2	-60.4	172.4	178.7	-176	-1.1	118
349	G	23.4	Very low	24.2	Very low	61 Å²	61	142.6 Å²	142.6	63%	0.629	73%	0.725	S	S	*	*			cis	124.8	157	21.6	0	0	0	0	0	110.4
350	Y	24.4	Very low	24.2	Very low	215 Å²	215	139.8 Å²	139.8	84%	0.843	73%	0.725	S	S	*	*			trans	70.3	151.8	-174.2	-50.6	-76.5	0	0	0	113.9
351	Q	24.8	Very low	24.1	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.664	73%	0.725	S	S	*	*			cis	-155.9	163.9	4.5	-140.8	162.9	-8.8	0	0	113.9
352	F	26.2	Very low	24.4	Very low	175 Å²	175	141.5 Å²	141.5	77%	0.768	73%	0.729	S	S	*	*			trans	72.2	127.4	160.6	-69.9	-64	0	0	0	121.5
353	S	22	Very low	24.4	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	72%	0.724	S	S	*	*			trans	-90.9	172.3	160.1	50.3	0	0	0	0	111
354	D	26.3	Very low	24.2	Very low	126 Å²	126	142.1 Å²	142.1	67%	0.674	72%	0.724	S	S	*	*				166.2	111.6	123	-82.1	1.9	0	0	0	109.5
355	I	24.3	Very low	24.4	Very low	136 Å²	136	141.8 Å²	141.8	70%	0.697	72%	0.723	S	S	*	*				89.5	109.3	86.6	-75.7	169.1	0	0	0	113.8
356	I	22.9	Very low	24.2	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	73%	0.725	S	S	*	*			trans	48.1	112.8	144	-55.4	173.3	0	0	0	118.5
357	N	26.1	Very low	24.3	Very low	130 Å²	130	143.9 Å²	143.9	70%	0.695	73%	0.73	S	S	*	*				178.5	143.5	93.6	-129	-19.5	0	0	0	116.5
358	N	24.4	Very low	24.1	Very low	125 Å²	125	146.2 Å²	146.2	67%	0.668	74%	0.736	S	S	*	*			trans	25.3	136.8	142.6	-71.7	-6.5	0	0	0	125.3
359	N	25.6	Very low	24	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	72%	0.719	S	S	*	*			trans	80.4	100.2	136.7	-63.9	-7.1	0	0	0	122
360	N	22.1	Very low	23.9	Very low	144 Å²	144	139.1 Å²	139.1	77%	0.77	71%	0.712	S	S	*	*				37.7	138.3	125.3	-65.3	5.3	0	0	0	122.7
361	N	22.1	Very low	23.8	Very low	154 Å²	154	131.1 Å²	131.1	82%	0.824	69%	0.688	S	S	*	*			trans	77.3	106.4	161.3	-57.4	-13	0	0	0	116.8
362	D	28	Very low	23.7	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	69%	0.693	S	S	*	*				-149.4	161.6	126.1	-124	-30.2	0	0	0	113.8
363	H	26.6	Very low	24	Very low	154 Å²	154	130.3 Å²	130.3	71%	0.713	69%	0.686	S	S	*	*			trans	-53.6	134.3	-159.2	-76.1	-70.4	0	0	0	124.1
364	I	22.5	Very low	24.1	Very low	147 Å²	147	133.5 Å²	133.5	75%	0.754	69%	0.694	S	S	*	*				83.5	146.1	121.3	-70.8	174.7	0	0	0	122.5
365	P	27.5	Very low	24	Very low	92 Å²	92	134.3 Å²	134.3	60%	0.597	70%	0.699	S	S	*	*			trans	-137.3	-158.2	-157	37.2	-11.9	0	0	0	116.9
366	F	20.4	Very low	23.9	Very low	182 Å²	182	136 Å²	136	80%	0.798	70%	0.703	S	S	*	*			trans	83.1	150.6	173.7	-56.4	-69.4	0	0	0	116.6
367	I	22.7	Very low	24.1	Very low	149 Å²	149	140.6 Å²	140.6	76%	0.764	71%	0.713	S	S	*	*			cis	-154.5	165	9.4	-129.8	157.1	0	0	0	113.9
368	F	20.3	Very low	23.9	Very low	184 Å²	184	139.3 Å²	139.3	81%	0.807	71%	0.714	S	S	*	*			trans	-41.6	172.6	171.2	-75.2	-103.4	0	0	0	120.7
369	S	21	Very low	24.1	Very low	76 Å²	76	142.8 Å²	142.8	53%	0.531	73%	0.726	S	S	.	*			cis	-126.2	-154.6	15.2	-58.6	0	0	0	0	113.1	E729 Y730	S369-E729 VanDerWaalsContact C-C 3.44Å; S369-E729 CarbonylContact C-O 3.47Å; S369-E729 VanDerWaalsContact CA-O 3.32Å; S369-E729 WeakPolarHBondContact CA-O 3.29Å; S369-E729 VanDerWaalsContact CB-O 3.28Å; S369-E729 WeakPolarHBondContact CB-O 3.38Å; S369-E729 PolarHBondContact N-O 3.19Å; S369-Y730 PolarHBondContact O-N 3.15Å; S369-Y730 VanDerWaalsContact O-O 3.12Å
370	S	20.8	Very low	24.1	Very low	71 Å²	71	143.1 Å²	143.1	50%	0.497	73%	0.728	S	S	.	*			cis	69.8	122.5	20.5	121.9	0	0	0	0	124.2	E729 Y730	S370-E729 PolarHBondContact N-O 2.75Å; S370-E729 CarbonylContact O-C 3.57Å; S370-E729 VanDerWaalsContact O-CA 3.28Å; S370-E729 WeakPolarHBondContact O-CA 3.39Å; S370-E729 PolarHBondContact O-N 3.02Å; S370-Y730 VanDerWaalsContact C-CA 3.44Å; S370-Y730 VanDerWaalsContact N-CA 3.3Å; S370-Y730 PolarHBondContact N-O 3.13Å; S370-Y730 VanDerWaalsContact N-O 3.14Å
371	S	23.3	Very low	24.3	Very low	47 Å²	47	142.7 Å²	142.7	33%	0.329	73%	0.725	S	S	.	*			cis	-175	160	-13.1	-70.5	0	0	0	0	116.7	S731	S371-S731 VanDerWaalsContact OG-CA 3.22Å; S371-S731 WeakPolarHBondContact OG-CA 3.23Å; S371-S731 PolarHBondContact OG-N 2.91Å
372	R	22.5	Very low	24.5	Very low	206 Å²	206	143.5 Å²	143.5	78%	0.777	72%	0.724	S	S	*	*			trans	98.4	171.3	155.5	-53.7	-176.1	170.6	175.3	-2.2	122	Y730	R372-Y730 WeakPolarHBondContact CA-OH 3.43Å; R372-Y730 WeakPolarHBondContact O-CE2 3.29Å; R372-Y730 PolarHBondContact O-OH 2.96Å
373	P	32.5	Very low	24.4	Very low	95 Å²	95	143.4 Å²	143.4	62%	0.617	73%	0.729	S	S	*	*				-143.6	-165.2	-73.9	46.9	-27.6	0	0	0	117.4
374	I	24.2	Very low	24.4	Very low	158 Å²	158	140.9 Å²	140.9	81%	0.81	73%	0.729	S	S	*	*			trans	90.7	154.2	156.3	-70.8	167.4	0	0	0	120.7
375	D	23.6	Very low	24.7	Very low	144 Å²	144	143 Å²	143	77%	0.77	73%	0.732	S	S	*	*			trans	-97.8	175.5	-154.1	-58.4	-84.6	0	0	0	119.7
376	E	22.9	Very low	24.8	Very low	170 Å²	170	148 Å²	148	79%	0.794	74%	0.741	S	S	*	*			trans	60.6	116	154.7	-78.1	-170.9	170.2	0	0	121.8
377	Y	26.3	Very low	25.3	Very low	239 Å²	239	145.1 Å²	145.1	94%	0.937	73%	0.734	S	S	*	*				-151.1	138.8	115.7	-122.3	-82.5	0	0	0	111.2
378	C	23.2	Very low	25.6	Very low	103 Å²	103	143.2 Å²	143.2	70%	0.696	73%	0.725	S	S	*	*			trans	-80.9	146	180	-50.3	0	0	0	0	112.7
379	Q	27.9	Very low	26.1	Very low	197 Å²	197	140.4 Å²	140.4	92%	0.921	72%	0.719	S	S	*	*			trans	-154.4	150.6	141.6	-118.3	165.6	23	0	0	113.7
380	N	25.1	Very low	26.6	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	72%	0.724	S	S	*	*			trans	-98.6	167.5	-169.3	-79	-46.2	0	0	0	113.5
381	N	27.2	Very low	27.1	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	73%	0.733	S	S	*	*			trans	75.4	107.5	154	-62.9	-18.5	0	0	0	119.7
382	Q	25.2	Very low	27.5	Very low	171 Å²	171	148.1 Å²	148.1	80%	0.799	75%	0.748	S	S	*	*				34.7	127.8	115.6	-59	-179.7	-2.6	0	0	119.2
383	T	27	Very low	27.7	Very low	148 Å²	148	145.6 Å²	145.6	91%	0.908	75%	0.75	S	S	*	*				-167.1	162.6	104.6	17.3	0	0	0	0	112.3
384	S	25.6	Very low	27.6	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	75%	0.751	S	S	*	*			trans	-124	172.3	-172.4	57.3	0	0	0	0	112.9
385	K	29	Very low	28	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	75%	0.747	S	S	*	*			trans	-152.3	113.5	160.7	-103.1	154.4	-176.5	174.3	0	107.4
386	Y	30	Very low	28.3	Very low	197 Å²	197	142.2 Å²	142.2	77%	0.773	74%	0.744	S	S	*	*				75	144.5	77.6	-76.1	-55.3	0	0	0	112
387	D	30.8	Very low	28.6	Very low	122 Å²	122	140.9 Å²	140.9	65%	0.652	74%	0.742	S	S	*	*			cis	-161.2	172.1	11.2	-138	8.1	0	0	0	109.2
388	N	29.9	Very low	28.8	Very low	109 Å²	109	135.6 Å²	135.6	58%	0.583	73%	0.73	S	S	*	*			cis	-163.2	-172.5	-5.6	-152.1	-45	0	0	0	108.5
389	N	30	Very low	29.2	Very low	126 Å²	126	137 Å²	137	67%	0.674	73%	0.731	S	S	*	*			trans	84.5	142.2	162.3	-49.1	-63.2	0	0	0	117.8
390	N	32	Very low	29.3	Very low	118 Å²	118	135.1 Å²	135.1	63%	0.631	73%	0.727	S	S	*	*			cis	-176.3	172.7	-9.4	-96.7	-17.1	0	0	0	106.6
391	N	30.7	Very low	29.9	Very low	131 Å²	131	132.9 Å²	132.9	70%	0.701	72%	0.72	S	S	*	*			cis	-170.4	165.7	-4.4	-105.2	-14	0	0	0	106.9
392	V	32.5	Very low	29.8	Very low	106 Å²	106	133.5 Å²	133.5	64%	0.642	72%	0.723	S	S	*	*			cis	-173.3	151.5	-22.3	71.6	0	0	0	0	109.3
393	N	27	Very low	29.9	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	72%	0.72	S	S	*	*			trans	65.7	154.8	173.1	-61.8	-11.2	0	0	0	117.5
394	S	29.5	Very low	29.7	Very low	90 Å²	90	132 Å²	132	63%	0.629	72%	0.718	S	S	*	*			cis	-145.2	175	10.9	54.2	0	0	0	0	114.5
395	D	31.9	Very low	29.8	Very low	137 Å²	137	132.8 Å²	132.8	73%	0.733	72%	0.718	S	S	*	*			trans	84.6	105.7	151.7	-54.1	-45.1	0	0	0	123.3
396	S	31.4	Very low	29.6	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	72%	0.719	S	S	*	*			trans	68	130.4	136.2	66.9	0	0	0	0	122.9
397	N	28.4	Very low	29.4	Very low	141 Å²	141	126.9 Å²	126.9	75%	0.754	71%	0.714	S	S	*	*				46.8	141.9	129.9	-63.1	43.6	0	0	0	120.9
398	D	31.2	Very low	29.1	Very low	128 Å²	128	126.5 Å²	126.5	68%	0.684	72%	0.721	S	S	*	*			cis	-152	-178.3	12.6	-130	-50	0	0	0	114
399	N	30.7	Very low	28.8	Very low	134 Å²	134	125.8 Å²	125.8	72%	0.717	73%	0.725	S	S	*	*			trans	-84.2	149.2	-164.7	-64.1	-95.5	0	0	0	116.9
400	N	29.5	Very low	28.7	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	73%	0.734	S	S	*	*			trans	65.4	161.3	142	-90.2	11.7	0	0	0	123.1
401	P	38.1	Very low	28.3	Very low	96 Å²	96	125.1 Å²	125.1	62%	0.623	73%	0.73	S	S	*	*			trans	-95.1	161.6	174.9	39.3	-35.2	0	0	0	113.5
402	D	25.1	Very low	28.1	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	74%	0.737	S	S	*	*				166.2	162.2	122.4	-88.2	-18.6	0	0	0	113.2
403	S	26.9	Very low	27.7	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	74%	0.741	S	S	*	*			trans	70.8	111.9	159.4	63.1	0	0	0	0	122.2
404	E	23.9	Very low	27.6	Very low	183 Å²	183	128.8 Å²	128.8	86%	0.855	74%	0.74	S	S	*	*				68.3	130.1	120.3	-67.9	-170.2	163.3	0	0	125.2
405	V	28.6	Very low	27.3	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.715	75%	0.747	S	S	*	*			trans	81.6	108.9	135.4	172.6	0	0	0	0	121.2
406	E	24.1	Very low	26.7	Very low	180 Å²	180	133.6 Å²	133.6	84%	0.841	75%	0.749	S	S	*	*			trans	59.2	114	141.1	-64.6	-167.4	145.3	0	0	124
407	A	25	Very low	26.5	Very low	82 Å²	82	134.2 Å²	134.2	68%	0.678	75%	0.751	S	S	*	*				77.6	109.4	119.3	0	0	0	0	0	121.9
408	S	24.4	Very low	26.2	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	75%	0.747	S	S	*	*				73	151.7	123.7	-62	0	0	0	0	120.4
409	S	24.1	Very low	25.8	Very low	94 Å²	94	133 Å²	133	66%	0.657	74%	0.744	S	S	*	*			cis	-175.2	137.8	-20.6	54	0	0	0	0	110.3
410	T	27.2	Very low	25.3	Very low	141 Å²	141	132.3 Å²	132.3	87%	0.865	74%	0.741	S	S	*	*			trans	-155.6	110.1	156.5	25.8	0	0	0	0	107.6
411	V	24.8	Very low	25.2	Very low	90 Å²	90	134.2 Å²	134.2	55%	0.545	74%	0.744	S	S	.	*				86.9	100.3	54.7	176	0	0	0	0	113.2	Q413	V411-Q413 HydrophobicContact CG1-CB 4.19Å; V411-Q413 HydrophobicContact CG1-CG 4.06Å
412	N	26.5	Very low	24.4	Very low	160 Å²	160	136.3 Å²	136.3	86%	0.856	75%	0.75	S	S	*	*			trans	-153.5	102.8	138.4	-84.6	-38.4	0	0	0	102.6
413	Q	22.8	Very low	24.2	Very low	154 Å²	154	134.5 Å²	134.5	72%	0.72	75%	0.749	S	S	*	*			cis	62.2	145.5	47.8	-92.9	-167.6	12.3	0	0	114.7	V411	V411-Q413 HydrophobicContact CG1-CB 4.19Å; V411-Q413 HydrophobicContact CG1-CG 4.06Å
414	L	24.9	Very low	24	Very low	153 Å²	153	135.2 Å²	135.2	80%	0.801	75%	0.749	S	S	*	*			trans	75.3	132.5	-173.4	-45.6	178.7	0	0	0	113.5
415	L	24.3	Very low	23.9	Very low	148 Å²	148	135.1 Å²	135.1	78%	0.775	75%	0.748	S	S	*	*			cis	-146.8	148	9.1	-154.6	78.5	0	0	0	112.5
416	F	20.1	Very low	23.6	Very low	179 Å²	179	133.7 Å²	133.7	79%	0.785	74%	0.744	S	S	*	*			trans	-80.1	153.2	159.9	-81.7	-94	0	0	0	110.6
417	P	25.8	Very low	23.6	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	74%	0.739	S	S	*	*				-127.2	153.5	106.1	8.3	12.4	0	0	0	111.1
418	N	22.1	Very low	23.5	Very low	124 Å²	124	132.4 Å²	132.4	66%	0.663	73%	0.731	S	S	*	*			cis	52.4	81.6	24.1	-88.6	80.1	0	0	0	112.8
419	D	22.4	Very low	23.5	Very low	120 Å²	120	130.8 Å²	130.8	64%	0.642	71%	0.713	S	S	*	*				-174.5	166.2	62.5	-85.6	-14.3	0	0	0	112.8
420	N	21.6	Very low	23.5	Very low	120 Å²	120	129.8 Å²	129.8	64%	0.642	70%	0.7	S	S	*	*			trans	48	106.9	149.4	-65.8	-44.3	0	0	0	119.7
421	H	26.1	Very low	23.3	Very low	195 Å²	195	123.9 Å²	123.9	90%	0.903	67%	0.665	S	S	*	*				-144.8	130.6	118.5	-115.8	-79.2	0	0	0	111.5
422	N	21.1	Very low	23.1	Very low	141 Å²	141	121.5 Å²	121.5	75%	0.754	65%	0.649	S	S	*	*			trans	-98.7	131.3	180	-69.2	-59.6	0	0	0	111.3
423	S	22.8	Very low	23	Very low	111 Å²	111	119.8 Å²	119.8	78%	0.776	64%	0.644	S	S	*	*			trans	-161.7	103	153.9	52	0	0	0	0	107.8
424	V	22	Very low	22.9	Very low	119 Å²	119	117.3 Å²	117.3	72%	0.721	64%	0.639	S	S	*	*				81.1	104	76.3	168.2	0	0	0	0	112
425	E	21.7	Very low	22.9	Very low	181 Å²	181	115.5 Å²	115.5	85%	0.846	63%	0.629	S	S	*	*			trans	62.2	156.3	142	-66	178.4	154.1	0	0	119
426	S	22.4	Very low	22.7	Very low	89 Å²	89	114.4 Å²	114.4	62%	0.622	62%	0.624	S	S	*	*			cis	-161.9	149.7	-3.9	33	0	0	0	0	113.4
427	N	23.2	Very low	23	Very low	138 Å²	138	113.6 Å²	113.6	74%	0.738	62%	0.616	S	S	*	*			trans	38.5	86.9	137.7	-50.1	-32.5	0	0	0	121.7	L429	N427-L429 PolarHBondContact O-N 2.88Å
428	N	23.9	Very low	22.9	Very low	97 Å²	97	112.6 Å²	112.6	52%	0.519	62%	0.617	S	S	.	*			trans	-70.1	115.3	153.3	-55.1	77.8	0	0	0	109.9	K140	K140-N428 WeakPolarHBondContact CE-O 3.46Å; K140-N428 PolarHBondContact NZ-O 3.03Å
429	L	23.3	Very low	22.8	Very low	79 Å²	79	111.8 Å²	111.8	41%	0.414	61%	0.613	S	S	.	*			trans	-141.3	85.8	-167.4	-162.9	174.2	0	0	0	110.9	V142 N427	V142-L429 HydrophobicContact CG1-CD1 4.19Å; V142-L429 HydrophobicContact CG1-CD2 3.61Å; V142-L429 HydrophobicContact CG1-CG 3.86Å; V142-L429 HydrophobicContact CG2-CD2 4.17Å; V142-L429 HydrophobicContact CG2-CG 3.99Å; N427-L429 PolarHBondContact O-N 2.88Å
430	L	24.2	Very low	23	Very low	73 Å²	73	113.6 Å²	113.6	38%	0.382	62%	0.623	S	S	.	*			trans	-129.2	100.2	171.1	-165.9	53.6	0	0	0	113.5	H160 I776	H160-L430 PolarHBondContact CE1-O 2.84Å; L430-I776 HydrophobicContact CB-CD1 3.7Å; L430-I776 HydrophobicContact CB-CG1 4.45Å; L430-I776 HydrophobicContact CD1-CD1 3.96Å; L430-I776 HydrophobicContact CD1-CG1 3.88Å; L430-I776 HydrophobicContact CD1-CG2 4.11Å; L430-I776 HydrophobicContact CD2-CD1 4.01Å; L430-I776 HydrophobicContact CD2-CG1 3.91Å; L430-I776 HydrophobicContact CG-CD1 4.08Å; L430-I776 HydrophobicContact CG-CG1 4.28Å
431	S	22.5	Very low	23.1	Very low	17 Å²	17	117.5 Å²	117.5	12%	0.119	63%	0.63	C	S	.	*			trans	-160.9	91.3	137.9	58.2	0	0	0	0	109.7	H160	H160-S431 WeakPolarHBondContact CE1-CB 3.28Å; H160-S431 PolarHBondContact CE1-OG 2.83Å; H160-S431 WeakPolarHBondContact NE2-CB 3.38Å
432	D	22.3	Very low	23.1	Very low	41 Å²	41	113 Å²	113	22%	0.219	62%	0.618	C	S	.	*			trans	-162.7	95.9	148.5	-103.6	-13.2	0	0	0	109.3	Y158 R170	Y158-D432 WeakPolarHBondContact CE2-OD2 3.49Å; Y158-D432 PolarHBondContact OH-OD2 3.29Å; R170-D432 IonicContact CZ-OD1 3.71Å; R170-D432 IonicContact NH1-OD1 2.69Å; R170-D432 PolarHBondContact NH1-OD1 3.47Å; R170-D432 IonicContact NH1-OD2 3.98Å; R170-D432 IonicContact NH2-OD1 2.68Å; R170-D432 PolarHBondContact NH2-OD1 3.17Å
433	V	23.2	Very low	23.3	Very low	124 Å²	124	117.6 Å²	117.6	75%	0.752	63%	0.626	S	S	*	*			trans	-92.8	108.3	151.5	178.1	0	0	0	0	105.6	I435	V433-I435 HydrophobicContact CG1-CG1 4.01Å; V433-I435 PolarHBondContact O-N 2.99Å
434	V	21.9	Very low	23.1	Very low	102 Å²	102	117.1 Å²	117.1	62%	0.618	62%	0.623	S	S	*	*			trans	-76.6	92.2	177.7	178.8	0	0	0	0	108.8	N436	V434-N436 PolarHBondContact O-N 3.48Å
435	I	24.3	Very low	23.2	Very low	114 Å²	114	117 Å²	117	59%	0.585	63%	0.628	S	S	*	*			trans	-85.2	86.8	164.4	-53	-176.4	0	0	0	107.7	P235 V433	P235-I435 HydrophobicContact CG-CD1 4.49Å; V433-I435 HydrophobicContact CG1-CG1 4.01Å; V433-I435 PolarHBondContact O-N 2.99Å
436	N	20.2	Very low	23.3	Very low	126 Å²	126	113.9 Å²	113.9	67%	0.674	63%	0.626	S	S	*	*			trans	-66.6	130.6	154.9	-82.6	-25.2	0	0	0	107.8	V434	V434-N436 PolarHBondContact O-N 3.48Å
437	W	26.1	Very low	23.3	Very low	161 Å²	161	117.1 Å²	117.1	61%	0.61	64%	0.635	S	S	*	*			trans	-142.8	159.1	154.3	-104.3	12.1	0	0	0	108.5
438	A	23.6	Very low	23.3	Very low	93 Å²	93	117 Å²	117	77%	0.769	64%	0.64	S	S	*	*			trans	-66.5	147.4	-146.7	0	0	0	0	0	115.8
439	N	20.9	Very low	23.2	Very low	107 Å²	107	119.5 Å²	119.5	57%	0.572	65%	0.65	S	S	*	*			trans	-79	128.6	149.9	-60.5	-67	0	0	0	107.2
440	D	25.2	Very low	23.4	Very low	157 Å²	157	123.8 Å²	123.8	84%	0.84	67%	0.673	S	S	*	*			trans	-134.7	152.7	148.9	-112.2	-44.2	0	0	0	109.7
441	Y	25.1	Very low	23.4	Very low	202 Å²	202	125.8 Å²	125.8	79%	0.792	69%	0.685	S	S	*	*			trans	-81.8	157.4	-157.1	-94.8	-108.8	0	0	0	114.6
442	P	25.1	Very low	23.6	Very low	102 Å²	102	134.9 Å²	134.9	66%	0.662	72%	0.723	S	S	*	*			trans	-87.8	156.4	-165.5	35.2	-35.7	0	0	0	113.6
443	Y	24.6	Very low	23.8	Very low	236 Å²	236	139.8 Å²	139.8	93%	0.925	74%	0.744	S	S	*	*			trans	-133.7	129	153.1	-103.9	-84.6	0	0	0	111.1
444	S	20.6	Very low	24	Very low	101 Å²	101	141 Å²	141	71%	0.706	75%	0.746	S	S	*	*			trans	-120.8	129	176.7	59.2	0	0	0	0	109.9
445	S	22.4	Very low	24.3	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	75%	0.748	S	S	*	*			trans	63	143.5	179.1	69.2	0	0	0	0	114.9
446	S	23.9	Very low	24.4	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	76%	0.757	S	S	*	*			cis	-144.4	-178.7	39.7	55	0	0	0	0	115
447	L	22.4	Very low	24.7	Very low	156 Å²	156	142.4 Å²	142.4	82%	0.817	76%	0.755	S	S	*	*			trans	-85.5	-178.9	179.9	-121.2	76.6	0	0	0	113.2
448	T	23.7	Very low	24.7	Very low	136 Å²	136	140.1 Å²	140.1	83%	0.834	76%	0.759	S	S	*	*			trans	79.5	128.8	162.5	39.1	0	0	0	0	119.6
449	M	22.7	Very low	25	Very low	150 Å²	150	144.2 Å²	144.2	74%	0.739	76%	0.759	S	S	*	*			trans	-72.1	168.7	176.6	-51.2	113.2	73.7	0	0	112.5
450	N	25.7	Very low	25.1	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	77%	0.765	S	S	*	*			trans	-141.7	145.6	134.4	-104.6	-28.5	0	0	0	110.4
451	N	24.6	Very low	25.2	Very low	115 Å²	115	143.4 Å²	143.4	62%	0.615	76%	0.761	S	S	*	*			trans	-99.6	159.5	179.2	-64.5	-34.7	0	0	0	110.8
452	F	27.2	Very low	25.2	Very low	209 Å²	209	142.5 Å²	142.5	92%	0.917	76%	0.764	S	S	*	*			trans	-129.5	108.3	144.8	-84.1	-89	0	0	0	104.7
453	E	26.1	Very low	25.3	Very low	144 Å²	144	143.2 Å²	143.2	67%	0.673	77%	0.771	S	S	*	*				70.2	98.6	58.3	-62.7	-152.3	141.6	0	0	114.5
454	N	28.5	Very low	25.2	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	77%	0.769	S	S	*	*				-156.7	125.8	115.8	-88.2	-63.9	0	0	0	105.8
455	L	26.8	Very low	25.5	Very low	127 Å²	127	139 Å²	139	67%	0.665	77%	0.769	S	S	*	*				57.3	131.9	84.5	-81.1	73.3	0	0	0	112.1
456	D	27.7	Very low	25.8	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	76%	0.764	S	S	*	*			cis	-141.8	-170.3	42.3	-138.9	-31	0	0	0	116.8
457	T	26.5	Very low	25.9	Very low	102 Å²	102	140 Å²	140	63%	0.626	76%	0.756	S	S	*	*			trans	-114.1	151.9	-149.4	47.1	0	0	0	0	117.6
458	T	26.5	Very low	26.3	Very low	113 Å²	113	139.7 Å²	139.7	69%	0.693	75%	0.75	S	S	*	*			trans	77.4	138.2	142.1	51.4	0	0	0	0	125.1
459	K	27.9	Very low	26.4	Very low	178 Å²	178	139.4 Å²	139.4	77%	0.774	74%	0.743	S	S	*	*			trans	70.3	96.4	133.9	-73.3	170.8	-177.1	173.3	0	122.1
460	S	23.4	Very low	26.8	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	74%	0.74	S	S	*	*				62	150.8	114	68.5	0	0	0	0	123.3
461	I	27.7	Very low	27	Very low	147 Å²	147	135.7 Å²	135.7	75%	0.754	73%	0.731	S	S	*	*			trans	90	78.6	164.8	-47.4	-179.3	0	0	0	116.8
462	Q	24.4	Very low	27.3	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	73%	0.734	S	S	*	*				52.5	108	109.2	-172.3	-179.1	4.2	0	0	120.7
463	S	27.3	Very low	27.4	Very low	116 Å²	116	132 Å²	132	81%	0.811	72%	0.724	S	S	*	*			trans	-160.2	151.4	138.2	58.2	0	0	0	0	111.7
464	N	23.5	Very low	27.7	Very low	164 Å²	164	130.5 Å²	130.5	88%	0.877	73%	0.725	S	S	*	*			trans	-98.1	167.4	177.4	-74.1	-14.8	0	0	0	112.3
465	A	27.5	Very low	27.7	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	72%	0.716	S	S	*	*			trans	119.4	123.1	135.8	0	0	0	0	0	118.6
466	D	27.4	Very low	27.9	Very low	135 Å²	135	132 Å²	132	72%	0.722	72%	0.72	S	S	*	*				85.5	114.2	128.9	-75.2	26	0	0	0	123.9
467	N	27	Very low	28	Very low	119 Å²	119	130.8 Å²	130.8	64%	0.636	71%	0.714	S	S	*	*				73.4	147.6	129.5	-67.1	-45.7	0	0	0	118.5
468	Q	30.4	Very low	28.3	Very low	151 Å²	151	132.7 Å²	132.7	71%	0.706	72%	0.715	S	S	*	*			cis	-170.7	175.3	-1.9	-123	177.2	62.8	0	0	109.2
469	N	26.7	Very low	28.3	Very low	129 Å²	129	133.5 Å²	133.5	69%	0.69	71%	0.711	S	S	*	*			cis	-162.5	-156.5	-5.7	-155.5	-30.7	0	0	0	107.8
470	V	30.8	Very low	28.4	Very low	110 Å²	110	134 Å²	134	67%	0.667	71%	0.709	S	S	*	*			trans	105.6	100	146.1	-169.3	0	0	0	0	118.6
471	N	29.6	Very low	28.7	Very low	131 Å²	131	134.6 Å²	134.6	70%	0.701	71%	0.709	S	S	*	*			trans	72.4	146.6	145.5	-65.7	32.4	0	0	0	120
472	D	29.7	Very low	28.6	Very low	130 Å²	130	134.2 Å²	134.2	70%	0.695	71%	0.708	S	S	*	*			cis	-159.5	168.6	0.3	-128	-35.9	0	0	0	116.1
473	V	30.7	Very low	28.9	Very low	116 Å²	116	131.3 Å²	131.3	70%	0.703	70%	0.703	S	S	*	*			trans	80.1	98.3	147.1	166.8	0	0	0	0	123.2
474	V	30.9	Very low	28.9	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.685	71%	0.708	S	S	*	*				90.4	114.1	121.1	171.8	0	0	0	0	124.8
475	N	29.7	Very low	29.1	Very low	114 Å²	114	128.9 Å²	128.9	61%	0.61	71%	0.705	S	S	*	*			trans	64.3	151.2	143.7	-71	-7.7	0	0	0	122.8
476	Y	31.6	Very low	29.1	Very low	192 Å²	192	130.5 Å²	130.5	75%	0.753	71%	0.712	S	S	*	*			cis	-148.9	145.1	2.2	-108.9	-47.8	0	0	0	112.9
477	N	29.1	Very low	29.6	Very low	118 Å²	118	128.4 Å²	128.4	63%	0.631	71%	0.705	S	S	*	*			trans	4.2	158.1	150	-59.9	15.5	0	0	0	122.7
478	H	32.1	Very low	29.6	Very low	142 Å²	142	131.3 Å²	131.3	66%	0.657	72%	0.715	S	S	*	*			cis	-147.1	153.5	7.1	-93.1	-59.3	0	0	0	108.6
479	Q	27.7	Very low	29.5	Very low	131 Å²	131	128.6 Å²	128.6	61%	0.612	71%	0.712	S	S	*	*				58.2	140.2	68.9	-80.4	171.7	-17.5	0	0	115.5
480	Y	29.6	Very low	29.7	Very low	187 Å²	187	128.4 Å²	128.4	73%	0.733	71%	0.711	S	S	*	*			cis	-155.7	134.7	7.6	-106.3	-59	0	0	0	113.6
481	V	29	Very low	29.7	Very low	114 Å²	114	130.6 Å²	130.6	69%	0.691	71%	0.714	S	S	*	*				33.6	118.3	127.2	176.8	0	0	0	0	123.3
482	N	26.8	Very low	29.9	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	71%	0.714	S	S	*	*			trans	69.4	136.9	136.6	-67.8	2	0	0	0	127.8
483	T	29	Very low	30	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	72%	0.716	S	S	*	*			trans	80.9	111.1	136.3	45.5	0	0	0	0	124.5
484	V	27.5	Very low	30	Very low	148 Å²	148	130 Å²	130	90%	0.897	71%	0.714	S	S	*	*			trans	63	113.5	130.7	-176.6	0	0	0	0	120
485	G	27.7	Very low	30.1	Very low	80 Å²	80	130.5 Å²	130.5	83%	0.825	72%	0.718	S	S	*	*			trans	173.2	138.2	161	0	0	0	0	0	114.4
486	S	28.2	Very low	30.1	Very low	119 Å²	119	129.6 Å²	129.6	83%	0.832	72%	0.72	S	S	*	*			trans	-138.5	171.1	170.1	-146.4	0	0	0	0	107.2
487	P	37	Very low	30	Very low	91 Å²	91	126 Å²	126	59%	0.591	72%	0.718	S	S	*	*			cis	-138.1	-173.9	1.8	43.1	-25.4	0	0	0	115.6
488	H	28.6	Very low	29.9	Very low	180 Å²	180	126 Å²	126	83%	0.833	72%	0.723	S	S	*	*			trans	65.9	157.7	148.5	-73.6	-30.2	0	0	0	119.9
489	S	28.5	Very low	29.7	Very low	93 Å²	93	124.7 Å²	124.7	65%	0.65	73%	0.725	S	S	*	*			cis	-161.9	-164.4	-7.6	47.3	0	0	0	0	111.1
490	N	31	Very low	29.7	Very low	126 Å²	126	124 Å²	124	67%	0.674	73%	0.73	S	S	*	*			trans	89.1	137.6	169.7	-55.6	38	0	0	0	113.7
491	E	30	Very low	29.5	Very low	156 Å²	156	121.2 Å²	121.2	73%	0.729	73%	0.732	S	S	*	*			cis	-162.3	146.9	-1.5	-129	164.7	-125.2	0	0	107.4
492	I	33	Very low	29.4	Very low	135 Å²	135	119.7 Å²	119.7	69%	0.692	73%	0.732	S	S	*	*				178.4	134.4	79.4	-81.9	-158.1	0	0	0	109
493	T	31.8	Very low	29.5	Very low	119 Å²	119	119.5 Å²	119.5	73%	0.73	73%	0.731	S	S	*	*			trans	31.5	149.4	155.2	67.9	0	0	0	0	123.8
494	T	31.9	Very low	29.4	Very low	109 Å²	109	120.1 Å²	120.1	67%	0.669	73%	0.729	S	S	*	*			cis	-174.5	144.4	-6.3	27.3	0	0	0	0	110.9
495	T	31.7	Very low	29.6	Very low	124 Å²	124	117.6 Å²	117.6	76%	0.761	72%	0.719	S	S	*	*			trans	55.4	154.2	144.9	61.1	0	0	0	0	122.1
496	S	29.7	Very low	29.7	Very low	95 Å²	95	120.5 Å²	120.5	66%	0.664	72%	0.715	S	S	*	*			cis	-171.3	140.8	-20.9	-91.2	0	0	0	0	111.9
497	T	30.9	Very low	29.8	Very low	117 Å²	117	120.8 Å²	120.8	72%	0.718	71%	0.708	S	S	*	*			trans	50.1	115.7	140.6	65.2	0	0	0	0	124
498	T	27.3	Very low	29.5	Very low	118 Å²	118	121.3 Å²	121.3	72%	0.724	71%	0.705	S	S	*	*				74.3	128.4	122.1	63.3	0	0	0	0	125
499	T	27.4	Very low	29.6	Very low	115 Å²	115	121.3 Å²	121.3	71%	0.706	70%	0.699	S	S	*	*				81.9	119.4	130	52.4	0	0	0	0	124.6
500	T	26.6	Very low	29.5	Very low	117 Å²	117	125.9 Å²	125.9	72%	0.718	70%	0.703	S	S	*	*				80.5	132.4	130	54.2	0	0	0	0	124.2
501	T	26.5	Very low	29.6	Very low	127 Å²	127	128.5 Å²	128.5	78%	0.779	71%	0.711	S	S	*	*			trans	72.6	101.1	141.2	48.5	0	0	0	0	122.5
502	A	26.8	Very low	29.4	Very low	82 Å²	82	125.9 Å²	125.9	68%	0.678	71%	0.706	S	S	*	*				99.5	146.1	101.9	0	0	0	0	0	122.2
503	N	27.5	Very low	29.3	Very low	136 Å²	136	124.9 Å²	124.9	73%	0.727	70%	0.702	S	S	*	*			trans	86.3	112.2	150.3	-67.4	-5.8	0	0	0	122.3
504	N	28	Very low	29.2	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	71%	0.705	S	S	*	*			trans	75.9	152.6	134.6	-52.6	-9.2	0	0	0	117.6
505	S	31	Very low	29.2	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	71%	0.708	S	S	*	*			cis	-151.5	155.9	23	-40.4	0	0	0	0	113.5
506	N	29.5	Very low	29.1	Very low	140 Å²	140	126.5 Å²	126.5	75%	0.749	71%	0.709	S	S	*	*				47.4	137.5	129.3	-62.3	31	0	0	0	119.7
507	N	32	Very low	29.1	Very low	126 Å²	126	128 Å²	128	67%	0.674	71%	0.713	S	S	*	*			cis	-166.6	178.5	17.7	-116.7	38.2	0	0	0	108.1
508	D	29.6	Very low	29	Very low	101 Å²	101	128 Å²	128	54%	0.54	71%	0.714	S	S	.	*			cis	172.2	-180	-24.4	-173.6	7.5	0	0	0	108.4
509	Y	30.4	Very low	28.9	Very low	180 Å²	180	128.4 Å²	128.4	71%	0.706	72%	0.715	S	S	*	*			trans	81.8	94.9	168.9	-70.2	-84.2	0	0	0	122.6
510	Y	27.9	Very low	29.1	Very low	189 Å²	189	128.6 Å²	128.6	74%	0.741	72%	0.716	S	S	*	*				25.2	130.8	125.4	-63	-86.5	0	0	0	121.7
511	H	32.1	Very low	29.2	Very low	182 Å²	182	130.8 Å²	130.8	84%	0.843	72%	0.718	S	S	*	*				-158	158.4	101.4	-129	-79.3	0	0	0	114.2
512	T	26.7	Very low	29.2	Very low	101 Å²	101	132 Å²	132	62%	0.62	72%	0.72	S	S	*	*			trans	-119	159.5	177.8	53.1	0	0	0	0	112.2
513	N	30	Very low	29.9	Very low	113 Å²	113	133 Å²	133	60%	0.604	72%	0.72	S	S	*	*				166.3	127.2	124.2	-86.3	28.8	0	0	0	111.1
514	E	29.8	Very low	29.9	Very low	169 Å²	169	131.7 Å²	131.7	79%	0.79	73%	0.727	S	S	*	*				75.3	140.4	111.3	-60.9	173	144.9	0	0	115.1
515	A	32.2	Very low	29.9	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	73%	0.726	S	S	*	*			cis	-133.5	141.2	17	0	0	0	0	0	110.7
516	V	29.2	Very low	29.8	Very low	129 Å²	129	132 Å²	132	78%	0.782	74%	0.735	S	S	*	*				68	114.2	69.5	175.8	0	0	0	0	110.9
517	V	30	Very low	29.6	Very low	126 Å²	126	131.3 Å²	131.3	76%	0.764	74%	0.737	S	S	*	*				-157.8	139.2	73.5	166.9	0	0	0	0	113.8
518	V	29.5	Very low	29.8	Very low	119 Å²	119	130.3 Å²	130.3	72%	0.721	74%	0.737	S	S	*	*			trans	22	128	145.9	-177.7	0	0	0	0	119.9
519	V	25	Very low	29.8	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	75%	0.749	S	S	*	*			cis	90.8	157.2	36.1	178.9	0	0	0	0	114.4
520	V	31.3	Very low	29.6	Very low	119 Å²	119	129.4 Å²	129.4	72%	0.721	75%	0.749	S	S	*	*			trans	84.4	136.1	179.6	-171.7	0	0	0	0	115.1
521	E	29.2	Very low	29.7	Very low	162 Å²	162	127.6 Å²	127.6	76%	0.757	75%	0.751	S	S	*	*			cis	178.5	123.9	-36.7	-108.4	167.3	-161.1	0	0	108.4
522	D	26.6	Very low	29.3	Very low	152 Å²	152	121.9 Å²	121.9	81%	0.813	74%	0.741	S	S	*	*				54.1	176.9	128.9	-104.9	38.2	0	0	0	121.5
523	P	40.7	Very low	29.3	Very low	105 Å²	105	128 Å²	128	68%	0.682	75%	0.754	S	S	*	*				-137.9	-171.5	-94.8	42.1	-21.6	0	0	0	117.3
524	A	27.9	Very low	29.2	Very low	107 Å²	107	127 Å²	127	88%	0.884	76%	0.756	S	S	*	*			trans	76.2	137	156.1	0	0	0	0	0	120.8
525	G	27.3	Very low	29	Very low	67 Å²	67	126.2 Å²	126.2	69%	0.691	76%	0.757	S	S	*	*			trans	167.1	83.8	167	0	0	0	0	0	119.6
526	I	29.3	Very low	28.8	Very low	170 Å²	170	130.4 Å²	130.4	87%	0.872	76%	0.762	S	S	*	*			trans	76	146.9	145.5	-56.4	162.9	0	0	0	119.1
527	T	24.6	Very low	28.6	Very low	127 Å²	127	130.9 Å²	130.9	78%	0.779	76%	0.76	S	S	*	*			trans	-133.1	-168.9	179.9	61.3	0	0	0	0	109.2
528	P	36.1	Very low	28.3	Very low	105 Å²	105	131.9 Å²	131.9	68%	0.682	76%	0.759	S	S	*	*			cis	-126.6	169.8	-33.7	35.4	-21	0	0	0	113.5
529	T	29.6	Very low	28	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	76%	0.759	S	S	*	*			trans	152.6	149	152.3	34.7	0	0	0	0	109.5
530	D	27.6	Very low	27.9	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	76%	0.759	S	S	*	*			cis	-155.7	160.6	-8.9	-134.1	-26.7	0	0	0	109.7
531	I	29.2	Very low	27.6	Very low	152 Å²	152	131.4 Å²	131.4	78%	0.779	76%	0.755	S	S	*	*			trans	64.3	141.1	168.3	-53	153.1	0	0	0	115.4
532	G	23.4	Very low	27.4	Very low	61 Å²	61	130.4 Å²	130.4	63%	0.629	76%	0.755	S	S	*	*			cis	140.2	145.2	-3.4	0	0	0	0	0	112.5
533	Y	28.2	Very low	27.3	Very low	229 Å²	229	131 Å²	131	90%	0.898	76%	0.758	S	S	*	*			trans	97	124.4	174.3	-68.5	-76.3	0	0	0	120.7
534	S	25.9	Very low	26.6	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	76%	0.762	S	S	*	*			trans	-97.2	168.9	146.2	51.9	0	0	0	0	110
535	D	26.1	Very low	26.5	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	75%	0.753	S	S	*	*				165.1	166.7	123.8	-81.4	0.9	0	0	0	111.6
536	E	27.7	Very low	26.4	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	76%	0.756	S	S	*	*			trans	-92	173.5	-179.9	-66.5	-167.2	119.7	0	0	113.8
537	L	25.2	Very low	26.1	Very low	140 Å²	140	134.3 Å²	134.3	73%	0.733	75%	0.751	S	S	*	*			trans	94	114.9	155.2	-56.9	-177.4	0	0	0	120.8
538	I	25	Very low	26.2	Very low	147 Å²	147	134.8 Å²	134.8	75%	0.754	75%	0.753	S	S	*	*			trans	82	96.1	131.3	-62.2	171.1	0	0	0	118.9
539	S	23.2	Very low	25.8	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	76%	0.76	S	S	*	*				92.7	151.6	123.9	-155.8	0	0	0	0	122.7
540	L	22.9	Very low	25.6	Very low	146 Å²	146	135.3 Å²	135.3	76%	0.764	76%	0.76	S	S	*	*			trans	81.1	97.4	160.8	-113.2	75	0	0	0	121.6
541	T	23.9	Very low	25.5	Very low	104 Å²	104	135.2 Å²	135.2	64%	0.638	77%	0.766	S	S	*	*			trans	62.1	120.6	130.9	52.1	0	0	0	0	123
542	D	24.9	Very low	25.2	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	77%	0.765	S	S	*	*				72.1	97.5	124.1	-56	-10.1	0	0	0	122.8
543	L	24.5	Very low	25.8	Very low	166 Å²	166	134.9 Å²	134.9	87%	0.869	77%	0.765	S	S	*	*				71	161.1	117	-132.2	84.6	0	0	0	120.8
544	I	26.2	Very low	25.7	Very low	149 Å²	149	134.1 Å²	134.1	76%	0.764	77%	0.767	S	S	*	*			trans	94.7	125.3	175	-63.7	172.6	0	0	0	114.1
545	I	25.3	Very low	25.6	Very low	139 Å²	139	136.2 Å²	136.2	71%	0.713	77%	0.77	S	S	*	*			cis	-157.6	175.4	-4.5	-124.4	175.6	0	0	0	112.2
546	T	26.1	Very low	25.6	Very low	123 Å²	123	134 Å²	134	76%	0.755	77%	0.766	S	S	*	*			trans	86.2	116.7	177.1	68	0	0	0	0	117
547	S	22.6	Very low	25.4	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	75%	0.753	S	S	*	*			cis	101.4	96.9	9	89.3	0	0	0	0	117.8
548	T	27.1	Very low	25.4	Very low	136 Å²	136	133.2 Å²	133.2	83%	0.834	76%	0.757	S	S	*	*			trans	-143.4	107.1	154.9	49.8	0	0	0	0	112
549	S	27.7	Very low	25.5	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	76%	0.759	S	S	*	*			trans	33.1	121.1	147	57.6	0	0	0	0	121.8
550	T	25.4	Very low	25.5	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	76%	0.764	S	S	*	*			trans	-77.9	176.4	147.6	53	0	0	0	0	111.2
551	P	26	Very low	25.5	Very low	130 Å²	130	136 Å²	136	84%	0.844	77%	0.766	S	S	*	*				-140.8	169.2	111.7	39.5	-28.6	0	0	0	115.2
552	S	22.1	Very low	25.6	Very low	107 Å²	107	136.5 Å²	136.5	75%	0.748	76%	0.764	S	S	*	*			trans	-151.6	-175.6	174.4	67.6	0	0	0	0	108.3
553	P	35.4	Very low	25.6	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	78%	0.775	S	S	*	*			cis	-122.1	-162.7	-29.1	37.9	-21.7	0	0	0	110.9
554	F	26.2	Very low	25.5	Very low	212 Å²	212	133 Å²	133	93%	0.93	76%	0.757	S	S	*	*			trans	-111.5	152.4	156.9	-102	-83.1	0	0	0	110.8
555	I	24.2	Very low	25.5	Very low	138 Å²	138	134.5 Å²	134.5	71%	0.708	77%	0.765	S	S	*	*			trans	-139.1	144.3	-178.7	-73.6	176.3	0	0	0	110.3	T557	I555-T557 HydrophobicContact CG2-CG2 4.3Å
556	S	25.8	Very low	25.5	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	77%	0.773	S	S	*	*			trans	-149.2	114.7	152.2	53.8	0	0	0	0	107.4
557	T	23.3	Very low	25.3	Very low	90 Å²	90	134.9 Å²	134.9	55%	0.552	77%	0.771	S	S	*	*				51.9	121.5	72.6	68.4	0	0	0	0	112.3	I555	I555-T557 HydrophobicContact CG2-CG2 4.3Å
558	Y	25.3	Very low	25.5	Very low	210 Å²	210	136.5 Å²	136.5	82%	0.824	77%	0.772	S	S	*	*			cis	-133.4	-173.9	10.9	-64.5	-86.2	0	0	0	109.6
559	T	26.6	Very low	25.4	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	78%	0.776	S	S	*	*			cis	-141.3	170.6	14.3	53.8	0	0	0	0	112.3
560	D	23.3	Very low	25.2	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	77%	0.771	S	S	*	*			trans	-87.5	131.9	161.4	-74.6	-71.9	0	0	0	111.3
561	E	24.1	Very low	25.2	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	77%	0.77	S	S	*	*			trans	-148.9	155.6	145.7	-81.4	-151.8	159.4	0	0	110.5
562	N	24.8	Very low	25.3	Very low	114 Å²	114	140.5 Å²	140.5	61%	0.61	76%	0.762	S	S	*	*			trans	67.7	50.7	171.2	-63.7	-66.6	0	0	0	117.9	G564	N562-G564 PolarHBondContact O-N 3.07Å
563	L	24.7	Very low	25.4	Very low	188 Å²	188	143.3 Å²	143.3	98%	0.984	77%	0.769	S	S	*	*			trans	-88.3	60.3	141	-86.1	176.8	0	0	0	111.6
564	G	24	Very low	25	Very low	46 Å²	46	145 Å²	145	47%	0.474	77%	0.773	S	S	.	*			trans	-124.9	145.2	151.6	0	0	0	0	0	107.3	N562	N562-G564 PolarHBondContact O-N 3.07Å
565	L	26	Very low	25.1	Very low	181 Å²	181	142.3 Å²	142.3	95%	0.948	77%	0.768	S	S	*	*			cis	-112.9	151.9	19	-67.4	157.6	0	0	0	112.9
566	L	24.3	Very low	25.4	Very low	166 Å²	166	143.8 Å²	143.8	87%	0.869	78%	0.776	S	S	*	*			trans	-89	167.8	167.5	-86.8	167.4	0	0	0	111.7
567	S	22.8	Very low	25.4	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	78%	0.783	S	S	*	*			trans	-50.6	131.4	170.6	-43.4	0	0	0	0	113.7
568	N	26.9	Very low	25.7	Very low	141 Å²	141	146 Å²	146	75%	0.754	79%	0.793	S	S	*	*			trans	172.7	150.3	145.4	-85.7	-18.3	0	0	0	105.3
569	E	24.6	Very low	25.9	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	79%	0.787	S	S	*	*			cis	-96.2	127.4	35.3	-61	174.4	132	0	0	115.4
570	L	24.1	Very low	26.1	Very low	134 Å²	134	143.8 Å²	143.8	70%	0.702	79%	0.791	S	S	*	*			trans	-103	150.6	145.9	-103.8	168.2	0	0	0	108.3	T572	L570-T572 PolarHBondContact O-N 3.3Å
571	I	24	Very low	26.5	Very low	153 Å²	153	144.1 Å²	144.1	79%	0.785	79%	0.785	S	S	*	*			trans	-29.2	116.9	166.9	-57.9	157.3	0	0	0	113.5
572	T	28.1	Very low	26.8	Very low	110 Å²	110	142 Å²	142	68%	0.675	78%	0.784	S	S	*	*			trans	-152.1	84.6	144.9	49.5	0	0	0	0	111.7	L570 N574	L570-T572 PolarHBondContact O-N 3.3Å; T572-N574 PolarHBondContact O-N 3.17Å
573	D	24.3	Very low	27.1	Very low	166 Å²	166	141.5 Å²	141.5	89%	0.888	79%	0.787	S	S	*	*			trans	-72.8	107.7	139.4	-98	-46.5	0	0	0	106.3
574	N	27.6	Very low	27.4	Very low	135 Å²	135	140.7 Å²	140.7	72%	0.722	78%	0.782	S	S	*	*			trans	-132	98	178.6	-105.1	-26.2	0	0	0	109.7	T572	T572-N574 PolarHBondContact O-N 3.17Å
575	N	28.6	Very low	27.5	Very low	154 Å²	154	144 Å²	144	82%	0.824	79%	0.794	S	S	*	*			trans	-121.4	147.9	164.7	-96.5	-57.2	0	0	0	109.1
576	L	30.2	Very low	27.7	Very low	170 Å²	170	141.4 Å²	141.4	89%	0.89	79%	0.785	S	S	*	*			trans	71.5	86.7	178.2	-54.9	170	0	0	0	116.2
577	L	26.2	Very low	27.9	Very low	166 Å²	166	139.2 Å²	139.2	87%	0.869	78%	0.779	S	S	*	*			trans	-62.9	135.5	139.5	-94.8	73.1	0	0	0	108.9
578	G	29	Very low	28.3	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	78%	0.783	S	S	*	*			trans	-135.5	112.5	165.8	0	0	0	0	0	108.6
579	N	29	Very low	28.1	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	79%	0.785	S	S	*	*			trans	-70.8	145.3	-171.1	-55.8	-51.5	0	0	0	112.1
580	D	31.7	Very low	28.7	Very low	163 Å²	163	135.2 Å²	135.2	87%	0.872	78%	0.776	S	S	*	*			trans	-135.8	113.7	144.7	-113.6	-31.9	0	0	0	113.7
581	F	30.8	Very low	28.7	Very low	160 Å²	160	136.6 Å²	136.6	70%	0.702	78%	0.783	S	S	*	*			trans	-31.8	148.9	178.1	-70.5	-92	0	0	0	122.3
582	T	30.3	Very low	28.9	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	79%	0.79	S	S	*	*				95.8	148.8	129.5	47.9	0	0	0	0	121.7
583	P	32.9	Very low	28.7	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	80%	0.798	S	S	*	*				-143.9	180	-118.4	44.6	-25.5	0	0	0	117.2
584	I	29.6	Very low	28.9	Very low	172 Å²	172	138.5 Å²	138.5	88%	0.882	79%	0.789	S	S	*	*			trans	-134.5	138.9	145	-63.7	-173.8	0	0	0	109.4
585	T	27	Very low	29	Very low	116 Å²	116	137.5 Å²	137.5	71%	0.712	79%	0.793	S	S	*	*			trans	-111.4	142.9	-177.6	23.6	0	0	0	0	112.5
586	T	30.4	Very low	29.1	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	79%	0.793	S	S	*	*			trans	162	96.3	139.3	40.7	0	0	0	0	109.7
587	T	28.6	Very low	28.9	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	78%	0.784	S	S	*	*				91.4	129	91.8	50	0	0	0	0	116.6
588	T	29.5	Very low	29.2	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	78%	0.778	S	S	*	*			trans	62.1	108.7	151.1	53.6	0	0	0	0	121.1
589	S	24.8	Very low	29.3	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	78%	0.776	S	S	*	*			trans	-79.5	-177.9	140.2	63.3	0	0	0	0	109.9
590	P	35.3	Very low	29.3	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	78%	0.781	S	S	*	*			cis	-136.4	-170.6	7.3	43.2	-24	0	0	0	116.6
591	L	24.6	Very low	29.3	Very low	162 Å²	162	141 Å²	141	85%	0.848	78%	0.783	S	S	*	*			trans	-35.7	145	-179.4	-69.9	62.4	0	0	0	117.8
592	R	27.6	Very low	29.3	Very low	249 Å²	249	138.7 Å²	138.7	94%	0.94	79%	0.786	S	S	*	*			trans	-153.3	155.3	130.5	-121.6	174.5	-173.3	174.3	3	115.4
593	T	25.5	Very low	29.3	Very low	135 Å²	135	140.2 Å²	140.2	83%	0.828	79%	0.789	S	S	*	*			trans	-73.6	150.4	-168.9	-24.9	0	0	0	0	115.2
594	A	28.4	Very low	29.2	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	80%	0.796	S	S	*	*				151.1	142	117.3	0	0	0	0	0	118
595	S	28.5	Very low	29.1	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	79%	0.789	S	S	*	*			trans	52.2	88.8	144.3	58.6	0	0	0	0	123.7
596	K	30.5	Very low	29.3	Very low	190 Å²	190	139.4 Å²	139.4	83%	0.826	79%	0.791	S	S	*	*			trans	2.1	131.5	134	-78.3	-179.7	168.6	177.2	0	122.7
597	I	27.9	Very low	29.3	Very low	139 Å²	139	138.5 Å²	138.5	71%	0.713	79%	0.789	S	S	*	*				72.3	129.9	126.1	-56.2	166.3	0	0	0	121
598	I	31.5	Very low	29.2	Very low	144 Å²	144	140.3 Å²	140.3	74%	0.738	79%	0.792	S	S	*	*				-176.4	134.3	121.3	-96	172.5	0	0	0	111.5
599	N	30.1	Very low	29.2	Very low	137 Å²	137	139.7 Å²	139.7	73%	0.733	79%	0.789	S	S	*	*			trans	52	129.7	164.2	-64.3	1.4	0	0	0	119.7
600	N	29.3	Very low	29.2	Very low	149 Å²	149	141.7 Å²	141.7	80%	0.797	79%	0.786	S	S	*	*			cis	90.1	101.5	46.7	-79.5	15.7	0	0	0	113.9
601	D	32.7	Very low	28.6	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	79%	0.786	S	S	*	*			trans	-148.8	161.4	154.9	-102	-39.8	0	0	0	108.4
602	C	30.2	Very low	28.8	Very low	113 Å²	113	144.5 Å²	144.5	76%	0.764	78%	0.784	S	S	*	*			trans	-140.1	141.1	-173.5	-69.8	0	0	0	0	114.1
603	N	29.6	Very low	28.9	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	78%	0.776	S	S	*	*			trans	58.8	121.3	158.7	-57.6	-11.9	0	0	0	119.2
604	D	32	Very low	28.9	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	77%	0.766	S	S	*	*				-153.6	174.8	128.3	-135.4	-29.1	0	0	0	112.7
605	C	28	Very low	28.8	Very low	108 Å²	108	140.3 Å²	140.3	73%	0.73	77%	0.765	S	S	*	*			trans	-47.5	157.5	-170	-64	0	0	0	0	117
606	C	29.8	Very low	28.8	Very low	112 Å²	112	142.1 Å²	142.1	76%	0.757	76%	0.761	S	S	*	*				-167	139.7	52	-137.1	0	0	0	0	115.5
607	C	30.1	Very low	28.6	Very low	107 Å²	107	141.3 Å²	141.3	72%	0.723	76%	0.757	S	S	*	*			trans	49.1	143.2	148.7	-60.8	0	0	0	0	121.2
608	I	27.7	Very low	28.4	Very low	157 Å²	157	142.6 Å²	142.6	81%	0.805	76%	0.758	S	S	*	*			cis	-131.6	113.5	13	-58.7	169.2	0	0	0	107.7
609	T	29.9	Very low	28	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	76%	0.758	S	S	*	*				65.5	136.4	84	-23.8	0	0	0	0	116.1
610	E	24	Very low	27.6	Very low	155 Å²	155	140.7 Å²	140.7	72%	0.724	76%	0.757	S	S	*	*			trans	-97	-177.8	-169.2	-45.4	-176.9	146.1	0	0	116
611	Q	23.5	Very low	27.5	Very low	159 Å²	159	141 Å²	141	74%	0.743	75%	0.751	S	S	*	*			trans	69.7	106.1	149.7	-71.4	177.3	49.5	0	0	119.7
612	H	28.9	Very low	27.2	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.815	74%	0.737	S	S	*	*			trans	-155.8	141.8	143.4	-112	-76.4	0	0	0	111.7
613	Q	28.7	Very low	27	Very low	163 Å²	163	141.3 Å²	141.3	76%	0.762	74%	0.735	S	S	*	*			trans	65.4	116.9	160.5	-65.1	172.7	-2.9	0	0	117
614	S	25.5	Very low	26.8	Very low	90 Å²	90	142 Å²	142	63%	0.629	73%	0.731	S	S	*	*				71	131.4	59.4	84.8	0	0	0	0	112.8
615	N	27.6	Very low	26.6	Very low	127 Å²	127	140 Å²	140	68%	0.679	73%	0.729	S	S	*	*			cis	-161.4	169.4	35.1	-110.6	-29.3	0	0	0	114.8
616	H	28.5	Very low	26.6	Very low	154 Å²	154	139.8 Å²	139.8	71%	0.713	73%	0.729	S	S	*	*			trans	24.5	123.4	154	-60.3	-57.7	0	0	0	121.4
617	K	25.2	Very low	26.4	Very low	172 Å²	172	143 Å²	143	75%	0.748	73%	0.733	S	S	*	*				88.2	123.2	59.2	-89.3	-159.8	172.8	-173	0	116.5
618	F	23.9	Very low	26.3	Very low	166 Å²	166	145.6 Å²	145.6	73%	0.728	74%	0.739	S	S	*	*			trans	90.5	110.9	141.2	-87.8	-126.4	0	0	0	123
619	L	22.3	Very low	26.3	Very low	139 Å²	139	142.6 Å²	142.6	73%	0.728	73%	0.732	S	S	*	*			trans	58.6	112.2	137.3	-91.4	87.4	0	0	0	123.7
620	S	23.1	Very low	26.2	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	73%	0.728	S	S	*	*				103.7	153	111.6	76.9	0	0	0	0	121.8
621	K	26.8	Very low	26.3	Very low	157 Å²	157	138.7 Å²	138.7	68%	0.683	73%	0.726	S	S	*	*			trans	84.3	110.2	166.7	-81.4	-178.5	162.2	-88.8	0	121.1
622	E	26.6	Very low	26.4	Very low	133 Å²	133	137.5 Å²	137.5	62%	0.621	73%	0.725	S	S	*	*				81.3	111.4	121.7	-76.2	162.8	-166.9	0	0	122.6
623	H	25.7	Very low	26.1	Very low	156 Å²	156	138.1 Å²	138.1	72%	0.722	73%	0.726	S	S	*	*			trans	64.6	148.1	148.6	-67.7	-78.4	0	0	0	118.9
624	F	25.9	Very low	25.8	Very low	174 Å²	174	137.7 Å²	137.7	76%	0.763	73%	0.729	S	S	*	*			cis	-148.3	152.8	9.5	-127.4	-67.3	0	0	0	110.3
625	S	27.5	Very low	25.9	Very low	110 Å²	110	140 Å²	140	77%	0.769	74%	0.739	S	S	*	*			trans	66.5	141.5	164.7	-55.7	0	0	0	0	118.3
626	S	26.6	Very low	25.8	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	74%	0.742	S	S	*	*			cis	-158.1	152.7	-8.8	43.4	0	0	0	0	111.5
627	E	26.8	Very low	25.5	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	74%	0.742	S	S	*	*			trans	65.3	75.1	161.3	-65.4	-179.8	177.7	0	0	120
628	L	27.4	Very low	25.4	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	74%	0.741	S	S	*	*				62.9	62.4	125.2	-64	166.7	0	0	0	119.8
629	S	28.3	Very low	25.4	Very low	95 Å²	95	135.8 Å²	135.8	66%	0.664	74%	0.739	S	S	*	*				7.5	115	126.5	54.4	0	0	0	0	117.6
630	S	26.7	Very low	25.5	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	74%	0.737	S	S	*	*				86.5	118.7	64.8	78.5	0	0	0	0	114
631	S	26.4	Very low	25.6	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	73%	0.733	S	S	*	*				80.9	153.4	95	89.9	0	0	0	0	114
632	N	25.4	Very low	25.6	Very low	134 Å²	134	132.5 Å²	132.5	72%	0.717	74%	0.74	S	S	*	*			cis	-168.8	177	-9.7	-117.6	3	0	0	0	110.4
633	F	23.5	Very low	25.7	Very low	189 Å²	189	137.2 Å²	137.2	83%	0.829	75%	0.752	S	S	*	*			trans	77.4	154.5	154.3	-78.4	-62.4	0	0	0	122.2
634	N	22.4	Very low	25.7	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	75%	0.749	S	S	*	*			trans	-66	140.8	178.9	-66.7	-22.7	0	0	0	113.2
635	V	27	Very low	25.5	Very low	139 Å²	139	134.3 Å²	134.3	84%	0.842	75%	0.753	S	S	*	*			trans	-136.6	151.8	146.5	-174.3	0	0	0	0	108.3
636	H	25.4	Very low	25.3	Very low	162 Å²	162	136 Å²	136	75%	0.75	75%	0.751	S	S	*	*			trans	-49.4	144.8	166.3	-84.6	-72	0	0	0	111.8
637	T	22.7	Very low	25.3	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	76%	0.756	S	S	*	*				50	138.2	84	-26.6	0	0	0	0	113.5
638	I	23.5	Very low	25.1	Very low	142 Å²	142	137.4 Å²	137.4	73%	0.728	75%	0.749	S	S	*	*			trans	97.2	73.9	175.7	-51.7	178.1	0	0	0	115.6
639	T	23.4	Very low	25	Very low	109 Å²	109	136.9 Å²	136.9	67%	0.669	75%	0.748	S	S	*	*				59.8	157.8	126.2	66.8	0	0	0	0	123.6
640	N	24.4	Very low	24.8	Very low	130 Å²	130	139.6 Å²	139.6	70%	0.695	75%	0.749	S	S	*	*			trans	108.7	130	134.1	-79.5	-17.3	0	0	0	120.6
641	N	24.5	Very low	24.7	Very low	119 Å²	119	141 Å²	141	64%	0.636	75%	0.753	S	S	*	*			trans	72.5	68.7	143.3	-59.1	-10.2	0	0	0	119.5
642	G	28.5	Very low	24.7	Very low	80 Å²	80	142.8 Å²	142.8	83%	0.825	76%	0.756	S	S	*	*			trans	-102.1	7.5	152.1	0	0	0	0	0	115	Y644	G642-Y644 PolarHBondContact O-N 3Å
643	R	26.9	Very low	24.8	Very low	233 Å²	233	142.4 Å²	142.4	88%	0.879	75%	0.752	S	S	*	*			trans	-81.2	96.3	176.3	-88.8	-170.5	175.8	177	-0.4	110.7
644	Y	25.8	Very low	25.1	Very low	167 Å²	167	139.8 Å²	139.8	66%	0.655	75%	0.747	S	S	*	*			trans	-154.1	130.3	170.6	-78.2	-63.1	0	0	0	109.3	G642 I646	G642-Y644 PolarHBondContact O-N 3Å; Y644-I646 HydrophobicContact CD1-CB 4.41Å; Y644-I646 HydrophobicContact CD1-CG1 3.49Å; Y644-I646 VanDerWaalsContact CD1-CG1 3.49Å; Y644-I646 HydrophobicContact CE1-CG1 4.12Å; Y644-I646 HydrophobicContact CG-CG1 3.8Å
645	A	21.9	Very low	25.3	Very low	101 Å²	101	139.3 Å²	139.3	84%	0.835	74%	0.738	S	S	*	*			cis	55.9	42.8	-3.9	0	0	0	0	0	116.2	Q647	A645-Q647 PolarHBondContact O-N 3.32Å
646	I	23.9	Very low	25.4	Very low	145 Å²	145	139.5 Å²	139.5	74%	0.744	73%	0.729	S	S	*	*			trans	-72.3	104.5	154.2	-68.3	167.4	0	0	0	106.7	Y644	Y644-I646 HydrophobicContact CD1-CB 4.41Å; Y644-I646 HydrophobicContact CD1-CG1 3.49Å; Y644-I646 VanDerWaalsContact CD1-CG1 3.49Å; Y644-I646 HydrophobicContact CE1-CG1 4.12Å; Y644-I646 HydrophobicContact CG-CG1 3.8Å
647	Q	25.9	Very low	25.5	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	73%	0.728	S	S	*	*			trans	-149.4	60.8	159.7	-158.4	173.5	5.4	0	0	112.4	A645	A645-Q647 PolarHBondContact O-N 3.32Å
648	I	24	Very low	25.7	Very low	136 Å²	136	140 Å²	140	70%	0.697	73%	0.726	S	S	*	*			trans	-133.3	82.1	156.7	-50.5	-179.9	0	0	0	109.4
649	N	24.4	Very low	25.8	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	72%	0.723	S	S	*	*				-104.5	108.1	108.1	-82.1	-34	0	0	0	104.1
650	H	23.9	Very low	26	Very low	151 Å²	151	139 Å²	139	70%	0.699	73%	0.726	S	S	*	*				69.7	128.4	86.4	-95.7	-74	0	0	0	113.4
651	V	25.4	Very low	26.1	Very low	125 Å²	125	139.1 Å²	139.1	76%	0.758	73%	0.727	S	S	*	*			trans	74.2	106.1	-179.2	-168.3	0	0	0	0	110.6
652	N	25.4	Very low	26.2	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	73%	0.731	S	S	*	*				62.4	141.1	78.3	-72.4	7.2	0	0	0	112.1
653	I	28.1	Very low	26	Very low	126 Å²	126	146.3 Å²	146.3	65%	0.646	73%	0.725	S	S	*	*			cis	-165	155.4	3.1	-121.6	166.9	0	0	0	108.3
654	D	29.1	Very low	26.1	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	72%	0.721	S	S	*	*			trans	57.1	-178.4	161.3	-70.8	-1.8	0	0	0	118.6
655	K	28.2	Very low	26.1	Very low	145 Å²	145	141.6 Å²	141.6	63%	0.63	73%	0.728	S	S	*	*				-170.9	159.4	-57.1	-98.9	158.1	119.7	-98.4	0	105.9
656	E	28.9	Very low	26.9	Very low	143 Å²	143	141 Å²	141	67%	0.668	72%	0.716	S	S	*	*			trans	62.8	159.6	158.3	-75.5	140.9	-136.4	0	0	117.4
657	E	27.5	Very low	27.2	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	72%	0.718	S	S	*	*			cis	-158.4	154.6	-30	-118	-170.2	164.8	0	0	110.9
658	I	26.7	Very low	27.4	Very low	132 Å²	132	137.4 Å²	137.4	68%	0.677	71%	0.709	S	S	*	*			trans	60.8	133.9	141.3	-69.3	171.3	0	0	0	122.9
659	S	25.8	Very low	27.6	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	72%	0.715	S	S	*	*			trans	101.2	113.6	144.1	69.7	0	0	0	0	124
660	N	26.4	Very low	27.9	Very low	138 Å²	138	139.8 Å²	139.8	74%	0.738	72%	0.716	S	S	*	*				73.9	120	119.4	-63.8	-13.2	0	0	0	124.5
661	N	27	Very low	28.2	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	72%	0.718	S	S	*	*				85.3	122.5	126.9	-73.1	-26.4	0	0	0	123.4
662	R	25.7	Very low	28.4	Very low	196 Å²	196	139.8 Å²	139.8	74%	0.74	72%	0.717	S	S	*	*				82.9	136.6	128.5	-84	178.6	162.6	-163.3	-5	122.4
663	F	26	Very low	28.5	Very low	155 Å²	155	139.2 Å²	139.2	68%	0.68	71%	0.714	S	S	*	*			trans	65.5	145.4	149.6	-66.4	-50	0	0	0	116.8
664	D	29	Very low	28.6	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	72%	0.718	S	S	*	*			cis	-149.9	-179.7	16.4	-109.4	-36.3	0	0	0	113.5
665	N	25.3	Very low	28.5	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	72%	0.72	S	S	*	*			trans	-108.3	-153.7	174.6	-145	4.2	0	0	0	108.9
666	P	38.6	Very low	28.5	Very low	90 Å²	90	140.3 Å²	140.3	58%	0.584	73%	0.726	S	S	*	*			cis	-138.5	-153.3	-16.9	29.3	-1.6	0	0	0	113.9
667	I	29.6	Very low	28.4	Very low	155 Å²	155	141 Å²	141	80%	0.795	73%	0.73	S	S	*	*			trans	80.2	136.4	156	-63.1	165.2	0	0	0	117
668	S	31.1	Very low	28.3	Very low	90 Å²	90	139.4 Å²	139.4	63%	0.629	73%	0.73	S	S	*	*			cis	-164.8	153.9	-12.6	52.7	0	0	0	0	113.6
669	E	26.6	Very low	28.2	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	73%	0.734	S	S	*	*			trans	24.1	137.1	138.5	-57.4	165.7	157	0	0	122.8
670	I	32.5	Very low	28.2	Very low	162 Å²	162	142.5 Å²	142.5	83%	0.831	74%	0.74	S	S	*	*				179.3	152.5	113.5	-89.2	161.2	0	0	0	112.3
671	D	28.5	Very low	28	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	74%	0.74	S	S	*	*			trans	-69.8	169.7	-158.2	-47.2	-53.6	0	0	0	121.4
672	D	30.5	Very low	27.8	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	74%	0.738	S	S	*	*			trans	83.7	106.8	132.9	-93.3	28.5	0	0	0	125.8
673	N	27.9	Very low	27.9	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	74%	0.741	S	S	*	*				83	134	118.8	-88.3	-45.2	0	0	0	124.9
674	L	29.8	Very low	27.7	Very low	138 Å²	138	140.4 Å²	140.4	72%	0.723	74%	0.744	S	S	*	*			trans	78.2	108.6	147	-67.3	164	0	0	0	123.2
675	N	27.8	Very low	27.8	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	74%	0.737	S	S	*	*				88.7	129.8	123.4	-80.3	2.3	0	0	0	124.8
676	L	27.9	Very low	27.7	Very low	145 Å²	145	138 Å²	138	76%	0.759	74%	0.736	S	S	*	*			trans	81.5	86.2	137	-136.4	67.8	0	0	0	122.1
677	E	26.5	Very low	27.2	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	75%	0.75	S	S	*	*				73.9	129.5	114.6	-149.1	169.1	-142.7	0	0	123.1
678	T	25.6	Very low	27	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	75%	0.751	S	S	*	*			trans	77.7	124.6	157.3	34.5	0	0	0	0	124
679	C	23.4	Very low	26.7	Very low	111 Å²	111	148 Å²	148	75%	0.75	76%	0.756	S	S	*	*			trans	85	109.6	138.6	-77.5	0	0	0	0	122.1
680	K	26.5	Very low	26.7	Very low	180 Å²	180	145.3 Å²	145.3	78%	0.783	75%	0.754	S	S	*	*			trans	90.3	98.7	145.3	-64	179.4	178.7	175.4	0	120.7
681	N	22.7	Very low	26.2	Very low	136 Å²	136	143.7 Å²	143.7	73%	0.727	75%	0.746	S	S	*	*				95.2	127.1	116.1	-72.6	13.2	0	0	0	122.4
682	I	23.1	Very low	26.1	Very low	133 Å²	133	145.3 Å²	145.3	68%	0.682	75%	0.753	S	S	*	*			trans	91.9	148.2	151.3	-57	146.8	0	0	0	117.4
683	Y	26.3	Very low	25.8	Very low	204 Å²	204	144.1 Å²	144.1	80%	0.8	75%	0.751	S	S	*	*			trans	76.7	125.8	-175.7	-54.7	-70.1	0	0	0	114.8
684	S	22.1	Very low	25.6	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	76%	0.758	S	S	*	*			cis	74.5	147	9.9	-34.4	0	0	0	0	116.7
685	P	32.2	Very low	25.4	Very low	103 Å²	103	145 Å²	145	67%	0.669	76%	0.761	S	S	*	*			cis	-139.1	-176	-27.8	40	-22.5	0	0	0	114.6
686	N	23.1	Very low	25.1	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	76%	0.764	S	S	*	*			trans	60.8	120.6	153.8	-62	-24.6	0	0	0	120.9
687	H	27.5	Very low	24.9	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.866	77%	0.765	S	S	*	*				-152.5	152.5	118.9	-126.1	-96	0	0	0	114.5
688	R	25.9	Very low	25.2	Very low	217 Å²	217	147 Å²	147	82%	0.819	76%	0.763	S	S	*	*			trans	-70.4	143.6	-163.4	-65.1	168	167.3	-171.7	-5.4	116.7
689	L	24.9	Very low	25.2	Very low	139 Å²	139	148.3 Å²	148.3	73%	0.728	76%	0.761	S	S	*	*				15.7	149.6	121.5	-72.7	162.1	0	0	0	119.5	L691	L689-L691 HydrophobicContact CD1-CD1 4.35Å; L689-L691 HydrophobicContact CD2-CD1 4.49Å
690	P	26.6	Very low	25.3	Very low	122 Å²	122	151 Å²	151	79%	0.792	76%	0.76	S	S	*	*				-125.3	158	104.3	37.2	-34.4	0	0	0	114.8
691	L	21.8	Very low	25.1	Very low	128 Å²	128	149.8 Å²	149.8	67%	0.67	76%	0.762	S	S	*	*			trans	-85.5	156.2	162.3	-67	77.1	0	0	0	109.5	L689	L689-L691 HydrophobicContact CD1-CD1 4.35Å; L689-L691 HydrophobicContact CD2-CD1 4.49Å
692	I	25.6	Very low	25.3	Very low	173 Å²	173	152.8 Å²	152.8	89%	0.887	77%	0.772	S	S	*	*			trans	-130.4	142.1	142.9	-63.4	-175.4	0	0	0	107.7
693	T	24.6	Very low	25.2	Very low	112 Å²	112	151.1 Å²	151.1	69%	0.687	77%	0.772	S	S	*	*			trans	-105.5	158.6	-178	47	0	0	0	0	112.4
694	N	24.3	Very low	25.2	Very low	153 Å²	153	150.7 Å²	150.7	82%	0.818	78%	0.775	S	S	*	*			trans	-50.1	155.3	176.9	-46.4	-10	0	0	0	114.4
695	V	24.6	Very low	25.3	Very low	129 Å²	129	152.8 Å²	152.8	78%	0.782	77%	0.773	S	S	*	*			trans	179.1	128	131.9	141.6	0	0	0	0	113
696	Y	22.6	Very low	25	Very low	210 Å²	210	154.2 Å²	154.2	82%	0.824	78%	0.78	S	S	*	*			trans	59.9	113.1	151.2	-79.9	-118.4	0	0	0	124.2
697	E	23.2	Very low	25.2	Very low	171 Å²	171	151.8 Å²	151.8	80%	0.799	78%	0.78	S	S	*	*				3.2	169.3	110	-90.6	-173.4	175.4	0	0	122.4
698	P	31.8	Very low	24.9	Very low	108 Å²	108	150.9 Å²	150.9	70%	0.701	78%	0.777	S	S	*	*			cis	-137.6	-141.8	-13.8	37.7	-15.3	0	0	0	113.3
699	E	25.4	Very low	24.8	Very low	147 Å²	147	151 Å²	151	69%	0.687	78%	0.783	S	S	*	*			trans	91.5	139.2	175.9	-57.2	-153.7	152.3	0	0	116.7
700	K	27.2	Very low	24.6	Very low	167 Å²	167	151.4 Å²	151.4	73%	0.726	79%	0.786	S	S	*	*			cis	-153.7	164.6	-2.3	-126.5	167.8	-167.2	142.3	0	112
701	N	22.2	Very low	24.5	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	78%	0.783	S	S	*	*			trans	-72.6	145.7	169.6	-61.8	-39.3	0	0	0	111.7
702	E	26.4	Very low	24.5	Very low	198 Å²	198	152 Å²	152	93%	0.925	79%	0.786	S	S	*	*			trans	-152	146.5	141.7	-132.5	166.1	-131.3	0	0	110.6
703	S	21.5	Very low	24.4	Very low	98 Å²	98	151.1 Å²	151.1	69%	0.685	78%	0.778	S	S	*	*			trans	-142.3	111.4	-164.2	59.3	0	0	0	0	112.9
704	F	25.8	Very low	24.4	Very low	195 Å²	195	153 Å²	153	86%	0.855	78%	0.784	S	S	*	*			trans	-169.8	148.3	170.3	-92.2	-66.2	0	0	0	106.6
705	E	25	Very low	24.4	Very low	148 Å²	148	151.7 Å²	151.7	69%	0.692	78%	0.777	S	S	*	*			cis	-160.1	154.2	-0.2	-167.5	163	-132.3	0	0	109.7
706	T	25.3	Very low	24.3	Very low	134 Å²	134	151.5 Å²	151.5	82%	0.822	78%	0.776	S	S	*	*			trans	60.5	151.4	175	48.1	0	0	0	0	118
707	A	26	Very low	24.4	Very low	95 Å²	95	145.9 Å²	145.9	79%	0.785	77%	0.773	S	S	*	*			cis	-119.4	140.4	13.1	0	0	0	0	0	114.1
708	Q	22.9	Very low	24.5	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	77%	0.773	S	S	*	*			trans	-80	147	159.7	-61	162	-76.2	0	0	109.3
709	F	23	Very low	23.9	Very low	218 Å²	218	146.1 Å²	146.1	96%	0.956	78%	0.782	S	S	*	*			trans	-136.4	102.7	139	-106.9	-78.2	0	0	0	108.2
710	N	20	Very low	23.8	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	78%	0.782	S	S	*	*			trans	-151.7	91.4	178.9	-156.9	9.2	0	0	0	110.3
711	C	24.6	Very low	23.6	Very low	108 Å²	108	144.6 Å²	144.6	73%	0.73	79%	0.786	S	S	*	*			trans	-141.5	121.8	161.4	-83.7	0	0	0	0	104.6
712	Q	23.1	Very low	23.6	Very low	156 Å²	156	143.7 Å²	143.7	73%	0.729	78%	0.779	S	S	*	*				52.4	131.7	81.4	-66.8	-165.2	-79.4	0	0	112
713	Q	23	Very low	23.4	Very low	154 Å²	154	138.7 Å²	138.7	72%	0.72	77%	0.767	S	S	*	*			cis	171.7	151.4	-6.9	-120.3	172.3	-42.5	0	0	102.3
714	N	24.7	Very low	23.4	Very low	150 Å²	150	142 Å²	142	80%	0.802	78%	0.777	S	S	*	*			trans	141.9	139.9	171.1	-78	-0.3	0	0	0	107.3
715	D	24.9	Very low	23.4	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	77%	0.772	S	S	*	*			cis	-154.5	131.9	-21.2	-121.9	-37.8	0	0	0	109.9
716	T	21.8	Very low	23.2	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	77%	0.772	S	S	*	*				37.2	106.5	123.9	-49.2	0	0	0	0	120.9
717	A	25.6	Very low	23.3	Very low	91 Å²	91	137.6 Å²	137.6	75%	0.752	78%	0.778	S	S	*	*			trans	157.5	144.1	145.2	0	0	0	0	0	110
718	C	24.5	Very low	23	Very low	118 Å²	118	137.4 Å²	137.4	80%	0.797	77%	0.772	S	S	*	*			cis	-154.7	159.8	-13	-108.6	0	0	0	0	109.3
719	N	19.8	Very low	23.1	Very low	167 Å²	167	135.5 Å²	135.5	89%	0.893	76%	0.763	S	S	*	*			trans	-128	101	179.9	-131.8	-2.5	0	0	0	110.1
720	S	23.5	Very low	23.1	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	74%	0.737	S	S	*	*			trans	177.8	146.9	175.7	48	0	0	0	0	111.8
721	F	22.2	Very low	23.2	Very low	181 Å²	181	126.5 Å²	126.5	79%	0.794	72%	0.723	S	S	*	*			cis	175.3	122.4	-15.3	-131.4	-90.8	0	0	0	105.6
722	I	22.2	Very low	23.1	Very low	137 Å²	137	131 Å²	131	70%	0.703	73%	0.73	S	S	*	*			trans	61.7	145	147.8	-66.2	-175.2	0	0	0	123.1
723	S	21.5	Very low	23	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	73%	0.733	S	S	*	*			trans	65.5	145.1	160.9	57.7	0	0	0	0	119.2
724	D	23.2	Very low	23	Very low	168 Å²	168	132.7 Å²	132.7	90%	0.898	74%	0.743	S	S	*	*			cis	-156.8	166.8	-9.9	-88.2	-24.3	0	0	0	107.2
725	G	24.4	Very low	22.8	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	74%	0.74	S	S	*	*			cis	165.8	154.7	-3.9	0	0	0	0	0	112.4
726	G	22.1	Very low	22.7	Very low	68 Å²	68	131.3 Å²	131.3	70%	0.701	74%	0.743	S	S	*	*			trans	83.2	147.9	171.4	0	0	0	0	0	117.3
727	Y	25.7	Very low	22.9	Very low	242 Å²	242	133.5 Å²	133.5	95%	0.949	75%	0.75	S	S	*	*			cis	-150.7	175.7	2.2	-91.7	-82.8	0	0	0	112.2
728	S	21.3	Very low	22.8	Very low	92 Å²	92	135.2 Å²	135.2	64%	0.643	75%	0.745	S	S	*	*			trans	-149.4	176.8	-169.3	54.9	0	0	0	0	114.6
729	E	24.7	Very low	22.7	Very low	129 Å²	129	135.5 Å²	135.5	60%	0.603	74%	0.738	S	S	*	*			trans	125.2	137	158.1	-69.7	-148.6	76.5	0	0	116.1	S369 S370	S369-E729 VanDerWaalsContact C-C 3.44Å; S369-E729 CarbonylContact C-O 3.47Å; S369-E729 VanDerWaalsContact CA-O 3.32Å; S369-E729 WeakPolarHBondContact CA-O 3.29Å; S369-E729 VanDerWaalsContact CB-O 3.28Å; S369-E729 WeakPolarHBondContact CB-O 3.38Å; S369-E729 PolarHBondContact N-O 3.19Å; S370-E729 PolarHBondContact N-O 2.75Å; S370-E729 CarbonylContact O-C 3.57Å; S370-E729 VanDerWaalsContact O-CA 3.28Å; S370-E729 WeakPolarHBondContact O-CA 3.39Å; S370-E729 PolarHBondContact O-N 3.02Å
730	Y	22.5	Very low	22.9	Very low	108 Å²	108	133.9 Å²	133.9	42%	0.424	73%	0.729	S	S	.	*			cis	-146.3	137.5	-21.1	-145.6	-85	0	0	0	115.8	S369 S370 R372	S369-Y730 PolarHBondContact O-N 3.15Å; S369-Y730 VanDerWaalsContact O-O 3.12Å; S370-Y730 VanDerWaalsContact C-CA 3.44Å; S370-Y730 VanDerWaalsContact N-CA 3.3Å; S370-Y730 PolarHBondContact N-O 3.13Å; S370-Y730 VanDerWaalsContact N-O 3.14Å; R372-Y730 WeakPolarHBondContact CA-OH 3.43Å; R372-Y730 WeakPolarHBondContact O-CE2 3.29Å; R372-Y730 PolarHBondContact O-OH 2.96Å
731	S	21.6	Very low	23	Very low	69 Å²	69	135.4 Å²	135.4	48%	0.483	73%	0.729	S	S	.	*			trans	62.9	139.4	162.5	57.4	0	0	0	0	126.5	S371	S371-S731 VanDerWaalsContact OG-CA 3.22Å; S371-S731 WeakPolarHBondContact OG-CA 3.23Å; S371-S731 PolarHBondContact OG-N 2.91Å
732	F	23.2	Very low	23.1	Very low	201 Å²	201	134 Å²	134	88%	0.882	72%	0.722	S	S	*	*				-162.6	150.6	126.3	-130.5	-81.5	0	0	0	111
733	D	19.7	Very low	23.1	Very low	147 Å²	147	133 Å²	133	79%	0.786	72%	0.718	S	S	*	*			trans	-91.8	137.8	-175.8	-65.1	-67.4	0	0	0	114.8
734	Q	24.1	Very low	23.3	Very low	199 Å²	199	137.1 Å²	137.1	93%	0.93	72%	0.724	S	S	*	*			trans	-171.2	166.9	134.4	-108.8	174.2	21.4	0	0	113.3
735	C	20.3	Very low	23.5	Very low	109 Å²	109	132.6 Å²	132.6	74%	0.736	70%	0.699	S	S	*	*			trans	-78.9	171.2	-170.3	-61.9	0	0	0	0	115.1
736	N	23.1	Very low	24	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	68%	0.677	S	S	*	*			trans	80.4	108.5	161.3	-54.2	-34.4	0	0	0	117.9
737	N	25.1	Very low	24.4	Very low	172 Å²	172	133.3 Å²	133.3	92%	0.92	67%	0.673	S	S	*	*			trans	-131	84.7	141.5	-105.6	-46.9	0	0	0	108.3
738	I	23.4	Very low	24.8	Very low	127 Å²	127	124.9 Å²	124.9	65%	0.651	64%	0.644	S	S	*	*			trans	-82.4	120.3	163.4	-66.4	177.5	0	0	0	106	L740	I738-L740 PolarHBondContact O-N 3.33Å; I738-L740 VanDerWaalsContact O-N 3.08Å
739	N	23.2	Very low	25.4	Very low	124 Å²	124	123.6 Å²	123.6	66%	0.663	63%	0.63	S	S	*	*			trans	-73.1	103.7	-177.7	-168.6	-15.6	0	0	0	109.9	L741	N739-L741 PolarHBondContact O-N 3.44Å
740	L	24.7	Very low	25.9	Very low	134 Å²	134	120.9 Å²	120.9	70%	0.702	62%	0.619	S	S	*	*			trans	-69	-12.3	-169.5	-79.5	161.2	0	0	0	114.6	I738 K742 L743	I738-L740 PolarHBondContact O-N 3.33Å; I738-L740 VanDerWaalsContact O-N 3.08Å; L740-K742 PolarHBondContact O-N 2.68Å; L740-L743 PolarHBondContact O-N 2.93Å
741	L	24.2	Very low	26.5	Very low	131 Å²	131	118.8 Å²	118.8	69%	0.686	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	17.1	-176.6	-71.5	166.6	0	0	0	116	N739	N739-L741 PolarHBondContact O-N 3.44Å
742	K	24.5	Very low	27.1	Very low	153 Å²	153	122.9 Å²	122.9	67%	0.665	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	4.5	178.1	-80	-172.7	172.7	-180	0	115.5	N287 L740	N287-K742 PolarHBondContact OD1-NZ 2.94Å; L740-K742 PolarHBondContact O-N 2.68Å
743	L	22.9	Very low	27.6	Very low	115 Å²	115	117 Å²	117	60%	0.602	59%	0.592	S	S	*	*			trans	-112.7	94.5	-178.8	-73.7	170.9	0	0	0	112.5	L740 L745	L740-L743 PolarHBondContact O-N 2.93Å; L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 HydrophobicContact CB-CD1 3.97Å; L743-L745 PolarHBondContact O-N 3.44Å
744	K	25.3	Very low	28.2	Very low	180 Å²	180	112.3 Å²	112.3	78%	0.783	57%	0.569	S	S	*	*			trans	-69.5	93.8	156.6	-80.8	-171.9	175	-177.4	0	108.3	Y323	Y323-K744 PolarHBondContact OH-NZ 3.25Å; Y323-K744 VanDerWaalsContact OH-NZ 3.13Å
745	L	28.5	Very low	28.7	Very low	73 Å²	73	109.5 Å²	109.5	38%	0.382	55%	0.554	S	S	.	*			trans	-63.9	145.9	174.2	-111.1	66.9	0	0	0	111.4	L743 L749 L750 I753	L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 HydrophobicContact CB-CD1 3.97Å; L743-L745 PolarHBondContact O-N 3.44Å; L745-L749 HydrophobicContact CD1-CD2 4.21Å; L745-L749 HydrophobicContact CD2-CB 4.39Å; L745-L749 HydrophobicContact CD2-CD2 4.11Å; L745-L749 HydrophobicContact CG-CB 4.3Å; L745-L749 HydrophobicContact CG-CD2 3.87Å; L745-L750 HydrophobicContact CD2-CD1 3.99Å; L745-I753 HydrophobicContact CD2-CD1 3.8Å
746	S	34.3	Very low	29.3	Very low	42 Å²	42	108.9 Å²	108.9	29%	0.294	54%	0.542	S	S	.	.			trans	-73.4	151.6	163.1	50.7	0	0	0	0	110.3	E194 D748 L749 L750	E194-S746 PolarHBondContact OE1-OG 3.44Å; S746-D748 PolarHBondContact O-N 3.13Å; S746-L749 PolarHBondContact O-N 3.24Å; S746-L749 PolarHBondContact OG-N 3.07Å; S746-L750 PolarHBondContact O-N 3.12Å
747	N	31	Very low	29.5	Very low	115 Å²	115	110.2 Å²	110.2	62%	0.615	54%	0.537	S	S	*	.	H	α-helix	trans	-58.2	-31.1	172.9	-73.2	-13.9	0	0	0	111.8	L750 R751	N747-L750 PolarHBondContact O-N 3.38Å; N747-R751 WeakPolarHBondContact O-CG 3.19Å; N747-R751 PolarHBondContact O-N 3.29Å
748	D	33.1	Very low	29.7	Very low	65 Å²	65	108.2 Å²	108.2	35%	0.348	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-41.6	178.4	-58.2	-50	0	0	0	113.1	E194 S746 L750 R751 W752	E194-D748 HydrophobicContact CG-CB 4.04Å; S746-D748 PolarHBondContact O-N 3.13Å; D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.36Å; D748-R751 WeakPolarHBondContact O-CB 3.36Å; D748-R751 PolarHBondContact O-N 2.88Å; D748-W752 PolarHBondContact O-N 2.99Å
749	L	35	Very low	30	Very low	65 Å²	65	106.1 Å²	106.1	34%	0.34	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-32.7	175.9	-157.2	75.1	0	0	0	110.9	L745 S746 W752 I753	L745-L749 HydrophobicContact CD1-CD2 4.21Å; L745-L749 HydrophobicContact CD2-CB 4.39Å; L745-L749 HydrophobicContact CD2-CD2 4.11Å; L745-L749 HydrophobicContact CG-CB 4.3Å; L745-L749 HydrophobicContact CG-CD2 3.87Å; S746-L749 PolarHBondContact O-N 3.24Å; S746-L749 PolarHBondContact OG-N 3.07Å; L749-W752 PolarHBondContact O-N 2.64Å; L749-I753 HydrophobicContact CD2-CD1 4.38Å; L749-I753 HydrophobicContact CG-CD1 4.19Å; L749-I753 WeakPolarHBondContact O-CB 3.33Å; L749-I753 WeakPolarHBondContact O-CD1 3.31Å; L749-I753 VanDerWaalsContact O-CG1 3.25Å; L749-I753 WeakPolarHBondContact O-CG1 3.37Å; L749-I753 PolarHBondContact O-N 2.91Å
750	L	33.9	Very low	30.2	Very low	71 Å²	71	103.7 Å²	103.7	37%	0.372	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-38.3	174.2	-151.3	73.7	0	0	0	111.8	L745 S746 N747 D748 I753 V754	L745-L750 HydrophobicContact CD2-CD1 3.99Å; S746-L750 PolarHBondContact O-N 3.12Å; N747-L750 PolarHBondContact O-N 3.38Å; D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.36Å; L750-I753 PolarHBondContact O-N 2.7Å; L750-V754 WeakPolarHBondContact O-CG2 3.26Å; L750-V754 PolarHBondContact O-N 2.98Å; L750-V754 VanDerWaalsContact O-N 3.1Å
751	R	35.6	Very low	30.3	Very low	64 Å²	64	103.9 Å²	103.9	24%	0.242	51%	0.511	C	S	.	.	H	α-helix	trans	-60.4	-46.2	171	-68.5	164.2	-173	-162.1	-6.4	111	N747 D748 V754 F755 E918 L921	N747-R751 WeakPolarHBondContact O-CG 3.19Å; N747-R751 PolarHBondContact O-N 3.29Å; D748-R751 WeakPolarHBondContact O-CB 3.36Å; D748-R751 PolarHBondContact O-N 2.88Å; R751-V754 PolarHBondContact O-N 3.07Å; R751-F755 WeakPolarHBondContact O-CB 3.41Å; R751-F755 PolarHBondContact O-N 3.48Å; R751-E918 IonicContact CZ-OE1 2.69Å; R751-E918 VanDerWaalsContact CZ-OE1 3.22Å; R751-E918 IonicContact NH1-OE1 3.8Å; R751-E918 PolarHBondContact NH1-OE1 3.45Å; R751-E918 IonicContact NH2-OE1 2.64Å; R751-E918 PolarHBondContact NH2-OE1 3.17Å; R751-E918 IonicContact NH2-OE2 3.85Å; R751-E918 PolarHBondContact NH2-OE2 3.04Å; R751-L921 HydrophobicContact CG-CD1 4.19Å; R751-L921 HydrophobicContact CG-CD2 4.44Å
752	W	34.3	Very low	30.5	Very low	155 Å²	155	100.6 Å²	100.6	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-40.3	177.6	-104.5	91.5	0	0	0	113.8	D748 L749 F755 I756	D748-W752 PolarHBondContact O-N 2.99Å; L749-W752 PolarHBondContact O-N 2.64Å; W752-F755 PolarHBondContact O-N 3.13Å; W752-I756 HydrophobicContact CE3-CD1 3.67Å; W752-I756 HydrophobicContact CE3-CG1 3.92Å; W752-I756 HydrophobicContact CZ3-CD1 3.94Å; W752-I756 HydrophobicContact CZ3-CG1 4.14Å; W752-I756 WeakPolarHBondContact O-CG1 3.09Å; W752-I756 PolarHBondContact O-N 2.92Å
753	I	33.3	Very low	30.5	Very low	78 Å²	78	99 Å²	99	40%	0.4	51%	0.508	S	S	.	.	H	α-helix	trans	-66.9	-40	177.8	-71.4	163.8	0	0	0	111	L745 L749 L750 R757	L745-I753 HydrophobicContact CD2-CD1 3.8Å; L749-I753 HydrophobicContact CD2-CD1 4.38Å; L749-I753 HydrophobicContact CG-CD1 4.19Å; L749-I753 WeakPolarHBondContact O-CB 3.33Å; L749-I753 WeakPolarHBondContact O-CD1 3.31Å; L749-I753 VanDerWaalsContact O-CG1 3.25Å; L749-I753 WeakPolarHBondContact O-CG1 3.37Å; L749-I753 PolarHBondContact O-N 2.91Å; L750-I753 PolarHBondContact O-N 2.7Å; I753-R757 VanDerWaalsContact O-CB 3.3Å; I753-R757 WeakPolarHBondContact O-CB 3.42Å; I753-R757 VanDerWaalsContact O-CG 3.3Å; I753-R757 WeakPolarHBondContact O-CG 3.18Å; I753-R757 PolarHBondContact O-N 2.96Å
754	V	32.8	Very low	30.5	Very low	49 Å²	49	97.1 Å²	97.1	30%	0.297	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-43.9	173.7	171.4	0	0	0	0	111	L750 R751 R757 F758	L750-V754 WeakPolarHBondContact O-CG2 3.26Å; L750-V754 PolarHBondContact O-N 2.98Å; L750-V754 VanDerWaalsContact O-N 3.1Å; R751-V754 PolarHBondContact O-N 3.07Å; V754-R757 PolarHBondContact O-N 2.96Å; V754-F758 HydrophobicContact CG1-CD2 4.33Å; V754-F758 PolarHBondContact O-N 2.94Å
755	F	34.8	Very low	30.5	Very low	140 Å²	140	94.7 Å²	94.7	61%	0.614	51%	0.511	S	S	*	.	H	α-helix	trans	-60.3	-53.5	177.5	-174.5	-101.4	0	0	0	112.2	R751 W752 R757 F758 S759	R751-F755 WeakPolarHBondContact O-CB 3.41Å; R751-F755 PolarHBondContact O-N 3.48Å; W752-F755 PolarHBondContact O-N 3.13Å; F755-R757 VanDerWaalsContact C-N 3.29Å; F755-R757 PolarHBondContact O-N 2.82Å; F755-F758 PolarHBondContact O-N 3.15Å; F755-S759 PolarHBondContact O-N 2.85Å; F755-S759 VanDerWaalsContact O-N 3.1Å; F755-S759 PolarHBondContact O-OG 3.25Å
756	I	32.9	Very low	30.3	Very low	95 Å²	95	99.2 Å²	99.2	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-57.8	-41.6	176.4	-72.8	176.9	0	0	0	111.2	W752 F758 S759 S760	W752-I756 HydrophobicContact CE3-CD1 3.67Å; W752-I756 HydrophobicContact CE3-CG1 3.92Å; W752-I756 HydrophobicContact CZ3-CD1 3.94Å; W752-I756 HydrophobicContact CZ3-CG1 4.14Å; W752-I756 WeakPolarHBondContact O-CG1 3.09Å; W752-I756 PolarHBondContact O-N 2.92Å; I756-F758 PolarHBondContact O-N 2.7Å; I756-S759 PolarHBondContact O-N 3.07Å; I756-S760 WeakPolarHBondContact O-CB 3.44Å; I756-S760 PolarHBondContact O-N 2.95Å
757	R	27.2	Very low	29.8	Very low	167 Å²	167	103.5 Å²	103.5	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-63.9	-40.7	179.2	-80.9	-61.8	-157.4	178.5	6.6	112.4	I753 V754 F755 S760 L761	I753-R757 VanDerWaalsContact O-CB 3.3Å; I753-R757 WeakPolarHBondContact O-CB 3.42Å; I753-R757 VanDerWaalsContact O-CG 3.3Å; I753-R757 WeakPolarHBondContact O-CG 3.18Å; I753-R757 PolarHBondContact O-N 2.96Å; V754-R757 PolarHBondContact O-N 2.96Å; F755-R757 VanDerWaalsContact C-N 3.29Å; F755-R757 PolarHBondContact O-N 2.82Å; R757-S760 WeakPolarHBondContact CA-OG 3.49Å; R757-S760 PolarHBondContact O-N 2.77Å; R757-S760 VanDerWaalsContact O-N 3.15Å; R757-S760 PolarHBondContact O-OG 3.06Å; R757-L761 PolarHBondContact O-N 2.86Å
758	F	28.7	Very low	29.4	Very low	129 Å²	129	102.4 Å²	102.4	57%	0.566	55%	0.55	S	S	*	.	H	α-helix	trans	-63	-43.8	174.5	-99.4	-102	0	0	0	112.3	V754 F755 I756 S760 L761 V928	V754-F758 HydrophobicContact CG1-CD2 4.33Å; V754-F758 PolarHBondContact O-N 2.94Å; F755-F758 PolarHBondContact O-N 3.15Å; I756-F758 PolarHBondContact O-N 2.7Å; F758-S760 PolarHBondContact O-N 3.32Å; F758-L761 PolarHBondContact O-N 3.16Å; F758-V928 HydrophobicContact CE2-CG2 3.54Å; F758-V928 HydrophobicContact CZ-CG2 3.81Å
759	S	30.2	Very low	29	Very low	84 Å²	84	105.1 Å²	105.1	59%	0.587	56%	0.563	S	S	*	*	H	α-helix	trans	-61.2	-27.6	173.6	-53.8	0	0	0	0	113.3	F755 I756	F755-S759 PolarHBondContact O-N 2.85Å; F755-S759 VanDerWaalsContact O-N 3.1Å; F755-S759 PolarHBondContact O-OG 3.25Å; I756-S759 PolarHBondContact O-N 3.07Å
760	S	28.2	Very low	28.4	Very low	72 Å²	72	109.6 Å²	109.6	50%	0.503	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-5.3	-178.2	74	0	0	0	0	115.8	I756 R757 F758	I756-S760 WeakPolarHBondContact O-CB 3.44Å; I756-S760 PolarHBondContact O-N 2.95Å; R757-S760 WeakPolarHBondContact CA-OG 3.49Å; R757-S760 PolarHBondContact O-N 2.77Å; R757-S760 VanDerWaalsContact O-N 3.15Å; R757-S760 PolarHBondContact O-OG 3.06Å; F758-S760 PolarHBondContact O-N 3.32Å
761	L	26.7	Very low	27.9	Very low	138 Å²	138	112.1 Å²	112.1	72%	0.723	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	5.1	-172.3	-92.1	157.5	0	0	0	114.7	R757 F758 P763	R757-L761 PolarHBondContact O-N 2.86Å; F758-L761 PolarHBondContact O-N 3.16Å; L761-P763 WeakPolarHBondContact O-CD 3.34Å
762	A	26.9	Very low	27.2	Very low	63 Å²	63	116 Å²	116	52%	0.521	62%	0.621	S	S	.	*			trans	-109.7	97.1	177.6	0	0	0	0	0	111.7	G764	A762-G764 PolarHBondContact O-N 3.37Å
763	P	24.5	Very low	26.7	Very low	118 Å²	118	115.5 Å²	115.5	77%	0.766	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	106.7	176.1	30.4	-32.9	0	0	0	110.7	L761	L761-P763 WeakPolarHBondContact O-CD 3.34Å
764	G	24.3	Very low	26.3	Very low	77 Å²	77	116.4 Å²	116.4	79%	0.794	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.1	-2.8	165.5	0	0	0	0	0	118.8	A762 H766	A762-G764 PolarHBondContact O-N 3.37Å; G764-H766 PolarHBondContact O-N 2.77Å
765	I	25.6	Very low	25.9	Very low	128 Å²	128	123.8 Å²	123.8	66%	0.656	66%	0.661	S	S	*	*			trans	-94.9	100.8	177.5	-60.2	-179.2	0	0	0	110.1	L767	I765-L767 VanDerWaalsContact C-N 3.28Å; I765-L767 HydrophobicContact CG2-CD1 3.95Å; I765-L767 HydrophobicContact CG2-CG 3.95Å; I765-L767 PolarHBondContact O-N 3.38Å
766	H	22.8	Very low	25.3	Very low	169 Å²	169	120.3 Å²	120.3	78%	0.782	65%	0.648	S	S	*	*			trans	-82.9	64	-177.6	-162	-59.6	0	0	0	112.2	G764 S768	G764-H766 PolarHBondContact O-N 2.77Å; H766-S768 PolarHBondContact CE1-OG 3.31Å; H766-S768 PolarHBondContact ND1-OG 2.71Å; H766-S768 PolarHBondContact O-N 2.82Å
767	L	24	Very low	24.8	Very low	131 Å²	131	123 Å²	123	69%	0.686	66%	0.662	S	S	*	*			trans	-74.5	89.2	172.4	-86.3	166.1	0	0	0	110.7	I765 I769	I765-L767 VanDerWaalsContact C-N 3.28Å; I765-L767 HydrophobicContact CG2-CD1 3.95Å; I765-L767 HydrophobicContact CG2-CG 3.95Å; I765-L767 PolarHBondContact O-N 3.38Å; L767-I769 VanDerWaalsContact C-N 3.33Å; L767-I769 HydrophobicContact CB-CD1 4.44Å; L767-I769 HydrophobicContact CB-CG1 4.43Å; L767-I769 PolarHBondContact O-N 2.71Å
768	S	22.2	Very low	24.5	Very low	92 Å²	92	122 Å²	122	64%	0.643	67%	0.669	S	S	*	*			trans	-67.4	87	170.2	-53.6	0	0	0	0	110.2	H766	H766-S768 PolarHBondContact CE1-OG 3.31Å; H766-S768 PolarHBondContact ND1-OG 2.71Å; H766-S768 PolarHBondContact O-N 2.82Å
769	I	24.3	Very low	24.3	Very low	122 Å²	122	119.5 Å²	119.5	63%	0.626	67%	0.666	S	S	*	*			trans	-107.5	98.4	172.7	-58.5	175.3	0	0	0	107.3	L767 I771	L767-I769 VanDerWaalsContact C-N 3.33Å; L767-I769 HydrophobicContact CB-CD1 4.44Å; L767-I769 HydrophobicContact CB-CG1 4.43Å; L767-I769 PolarHBondContact O-N 2.71Å; I769-I771 HydrophobicContact CG2-CG1 4.32Å; I769-I771 WeakPolarHBondContact O-CG1 3.49Å; I769-I771 PolarHBondContact O-N 3.41Å
770	D	22.6	Very low	24	Very low	159 Å²	159	120.3 Å²	120.3	85%	0.85	66%	0.663	S	S	*	*			trans	-69.1	114	169.2	-75.7	-54.5	0	0	0	109	E772	D770-E772 VanDerWaalsContact C-N 3.3Å; D770-E772 PolarHBondContact O-N 2.54Å
771	I	24.2	Very low	23.8	Very low	125 Å²	125	124.9 Å²	124.9	64%	0.641	68%	0.676	S	S	*	*			trans	-88.5	66.8	-172.9	-47.8	-178.6	0	0	0	110.6	N334 I769	N334-I771 PolarHBondContact ND2-O 2.88Å; I769-I771 HydrophobicContact CG2-CG1 4.32Å; I769-I771 WeakPolarHBondContact O-CG1 3.49Å; I769-I771 PolarHBondContact O-N 3.41Å
772	E	21.6	Very low	23.7	Very low	146 Å²	146	126 Å²	126	68%	0.682	68%	0.676	S	S	*	*			trans	-139.9	82.1	165.7	-69.5	-165.6	175.9	0	0	110.8	D770	D770-E772 VanDerWaalsContact C-N 3.3Å; D770-E772 PolarHBondContact O-N 2.54Å
773	D	23.8	Very low	23.6	Very low	143 Å²	143	127.7 Å²	127.7	77%	0.765	68%	0.683	S	S	*	*	S	Bend	trans	-175.2	164.9	135.3	-107.5	-30.6	0	0	0	114.1
774	E	24.6	Very low	23.5	Very low	97 Å²	97	133 Å²	133	45%	0.453	69%	0.688	S	S	.	*			trans	-76.5	121.1	-177.9	-59.5	177.5	115.1	0	0	112	I776	E774-I776 HydrophobicContact CB-CD1 3.66Å; E774-I776 HydrophobicContact CB-CG1 3.85Å; E774-I776 PolarHBondContact O-N 2.84Å
775	F	23	Very low	23.4	Very low	204 Å²	204	135 Å²	135	90%	0.895	68%	0.679	S	S	*	*			trans	-72.8	93.9	173.6	-114.4	-82.6	0	0	0	111.4
776	I	22.2	Very low	23.3	Very low	67 Å²	67	137.7 Å²	137.7	34%	0.344	69%	0.687	S	S	.	*			trans	-127.1	106.7	-179.6	-47.2	160.9	0	0	0	108.5	L430 E774	L430-I776 HydrophobicContact CB-CD1 3.7Å; L430-I776 HydrophobicContact CB-CG1 4.45Å; L430-I776 HydrophobicContact CD1-CD1 3.96Å; L430-I776 HydrophobicContact CD1-CG1 3.88Å; L430-I776 HydrophobicContact CD1-CG2 4.11Å; L430-I776 HydrophobicContact CD2-CD1 4.01Å; L430-I776 HydrophobicContact CD2-CG1 3.91Å; L430-I776 HydrophobicContact CG-CD1 4.08Å; L430-I776 HydrophobicContact CG-CG1 4.28Å; E774-I776 HydrophobicContact CB-CD1 3.66Å; E774-I776 HydrophobicContact CB-CG1 3.85Å; E774-I776 PolarHBondContact O-N 2.84Å
777	L	22.8	Very low	23.2	Very low	151 Å²	151	134.4 Å²	134.4	79%	0.791	68%	0.682	S	S	*	*			trans	-107.7	97.4	172.7	-69.9	174.9	0	0	0	110
778	L	21.6	Very low	23.2	Very low	147 Å²	147	138.1 Å²	138.1	77%	0.77	69%	0.693	S	S	*	*			trans	-133.6	141.4	157.4	-79.3	178.7	0	0	0	109.4
779	P	24.3	Very low	23.2	Very low	77 Å²	77	138 Å²	138	50%	0.5	69%	0.692	S	S	.	*			trans	-88.7	142.8	-160.3	33.2	-36.2	0	0	0	115.4
780	N	24.2	Very low	23.1	Very low	101 Å²	101	140.8 Å²	140.8	54%	0.54	70%	0.7	S	S	.	*			trans	34.9	127.6	145.2	-63.9	-21.8	0	0	0	121.3	N1241	N780-N1241 WeakPolarHBondContact CB-OD1 3.48Å
781	H	24.2	Very low	23.2	Very low	167 Å²	167	140 Å²	140	77%	0.773	70%	0.696	S	S	*	*			trans	-127.8	141.3	134.8	-112.2	-81.7	0	0	0	110.4
782	K	23.7	Very low	23	Very low	163 Å²	163	143 Å²	143	71%	0.709	71%	0.707	S	S	*	*			trans	-104.4	145.1	179	-93.8	-176.2	176.4	175.6	0	113.2
783	S	25	Very low	23	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	71%	0.706	S	S	*	*			trans	79.6	115.3	145.2	72.5	0	0	0	0	121.4
784	R	22.3	Very low	23	Very low	231 Å²	231	139.9 Å²	139.9	87%	0.872	70%	0.703	S	S	*	*				-160.5	108.3	113.3	-97.6	168.2	-172.5	-173.3	2.4	107.5
785	I	22.6	Very low	23.2	Very low	119 Å²	119	144.9 Å²	144.9	61%	0.61	72%	0.719	S	S	*	*				65.6	113.2	73.7	-60.4	163.3	0	0	0	111.8
786	F	22.9	Very low	23.3	Very low	184 Å²	184	141.4 Å²	141.4	81%	0.807	71%	0.71	S	S	*	*				-166.3	125.6	110.8	-104.1	-66.3	0	0	0	115.2
787	S	21.1	Very low	23.4	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	73%	0.733	S	S	*	*			trans	23.8	127.1	149.5	60.4	0	0	0	0	122
788	K	24.2	Very low	23.6	Very low	210 Å²	210	145.7 Å²	145.7	91%	0.913	74%	0.74	S	S	*	*				-144	147.3	114.2	-117.3	171.7	-175.1	175.1	0	111.5
789	S	21.4	Very low	23.6	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	74%	0.738	S	S	*	*			trans	-88	160.9	-179.2	51.3	0	0	0	0	112.4
790	F	23.8	Very low	23.8	Very low	181 Å²	181	148.2 Å²	148.2	79%	0.794	76%	0.756	S	S	*	*			trans	156.7	94.1	146.6	-86.2	-60.7	0	0	0	105.5
791	D	23.1	Very low	23.8	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	76%	0.763	S	S	*	*				85.9	140.1	80.3	-77.6	-15	0	0	0	112.3
792	E	21	Very low	23.8	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.874	76%	0.762	S	S	*	*			trans	-87.9	165.8	-172.6	-61.2	-179.8	114.8	0	0	113.6
793	S	21.7	Very low	23.9	Very low	96 Å²	96	145.5 Å²	145.5	67%	0.671	76%	0.76	S	S	*	*			trans	92.4	138.7	148.5	82.2	0	0	0	0	120.5
794	N	24.3	Very low	24	Very low	128 Å²	128	149.8 Å²	149.8	68%	0.684	76%	0.763	S	S	*	*			trans	68.3	121.8	157.8	-47.3	-47.7	0	0	0	117.1
795	Y	27.2	Very low	24	Very low	202 Å²	202	145.5 Å²	145.5	79%	0.792	75%	0.754	S	S	*	*			cis	-155.8	134.9	38.7	-111.3	-78.8	0	0	0	115.4
796	N	27	Very low	24.1	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	76%	0.758	S	S	*	*			trans	22.3	123.9	147.9	-58.3	-6.4	0	0	0	124.6
797	N	22.7	Very low	24.2	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	76%	0.755	S	S	*	*			trans	-6.3	145.4	132.4	-60.2	-22.3	0	0	0	120.5
798	T	26.7	Very low	24.4	Very low	152 Å²	152	145.3 Å²	145.3	93%	0.933	75%	0.749	S	S	*	*				-147.5	157.9	122.4	3.6	0	0	0	0	111.4
799	S	23	Very low	24.5	Very low	104 Å²	104	143 Å²	143	73%	0.727	74%	0.742	S	S	*	*			trans	-132.9	172.6	-176.5	57.8	0	0	0	0	110.7
800	I	27.3	Very low	24.7	Very low	172 Å²	172	143 Å²	143	88%	0.882	74%	0.741	S	S	*	*			trans	-178.5	163	147.2	-98.2	154.6	0	0	0	111.6
801	T	24	Very low	24.9	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	74%	0.742	S	S	*	*			trans	-144.9	146.8	-153.8	58.1	0	0	0	0	116.8
802	S	25.1	Very low	25.1	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	74%	0.74	S	S	*	*			trans	64.4	166	131.8	75.1	0	0	0	0	125.2
803	K	25.6	Very low	25.4	Very low	156 Å²	156	139.4 Å²	139.4	68%	0.678	74%	0.735	S	S	*	*			trans	102.4	149	167.5	-58.9	-169	174.7	-171.4	0	117.1
804	Y	27	Very low	25.7	Very low	186 Å²	186	140.5 Å²	140.5	73%	0.729	74%	0.743	S	S	*	*			cis	-122.3	167.6	5	-77.1	-101.5	0	0	0	110.3
805	M	23	Very low	25.8	Very low	141 Å²	141	141.8 Å²	141.8	70%	0.695	75%	0.749	S	S	*	*			cis	69.3	142.5	39.3	-75.8	-179.6	127.7	0	0	114.2
806	E	24.5	Very low	25.6	Very low	147 Å²	147	136.9 Å²	136.9	69%	0.687	74%	0.744	S	S	*	*			cis	-160	177.5	12.2	-132.8	158.7	170.9	0	0	112.8
807	D	24.6	Very low	25.5	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	74%	0.738	S	S	*	*			trans	67.8	154.1	161.4	-87.7	7.4	0	0	0	121.4
808	I	25.3	Very low	25.5	Very low	112 Å²	112	137.8 Å²	137.8	57%	0.574	75%	0.746	S	S	*	*			cis	-165	156.6	-25.5	-150.6	174.9	0	0	0	112.3
809	H	26.1	Very low	25.4	Very low	163 Å²	163	137.3 Å²	137.3	76%	0.755	73%	0.731	S	S	*	*			trans	49.4	150.2	158.5	-67.1	-28.1	0	0	0	122.8
810	S	26	Very low	25.4	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	73%	0.728	S	S	*	*			cis	-172.1	131.4	-17.8	53.2	0	0	0	0	112.2
811	H	26.8	Very low	25.3	Very low	173 Å²	173	138.8 Å²	138.8	80%	0.801	72%	0.72	S	S	*	*			trans	-174.6	101.7	135.1	-104.9	-64.7	0	0	0	112.7
812	N	27.5	Very low	25.1	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	73%	0.73	S	S	*	*			trans	36.6	140.7	132	-59.3	6.5	0	0	0	121.8
813	V	27.3	Very low	25	Very low	126 Å²	126	141.8 Å²	141.8	76%	0.764	73%	0.727	S	S	*	*			cis	-166.8	154.9	-5.3	120.3	0	0	0	0	108.3
814	S	28.2	Very low	24.9	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	72%	0.719	S	S	*	*			trans	123.8	52.5	167.9	65.7	0	0	0	0	117.4
815	N	27	Very low	24.7	Very low	154 Å²	154	135 Å²	135	82%	0.824	72%	0.716	S	S	*	*			trans	-148.8	130.4	170.5	-170.4	-17.9	0	0	0	111.9
816	S	23.6	Very low	24.7	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	72%	0.718	S	S	*	*			trans	-164.8	134.9	171.2	51	0	0	0	0	110.8
817	M	24.7	Very low	24.6	Very low	116 Å²	116	135.5 Å²	135.5	57%	0.571	72%	0.719	S	S	*	*			cis	-153.3	106	-5.9	-100	162.9	105.2	0	0	109.5	K819	M817-K819 HydrophobicContact CB-CB 4.03Å; M817-K819 HydrophobicContact CE-CB 4.19Å; M817-K819 HydrophobicContact CE-CD 3.75Å; M817-K819 HydrophobicContact CE-CG 3.91Å; M817-K819 WeakPolarHBondContact CE-O 3.32Å; M817-K819 HydrophobicContact CG-CB 4.02Å; M817-K819 HydrophobicContact CG-CD 4.49Å; M817-K819 PolarHBondContact O-N 3.33Å
818	L	23	Very low	24.6	Very low	191 Å²	191	137.1 Å²	137.1	100%	1	72%	0.722	S	S	*	*	S	Bend	trans	-73.9	59.5	154.4	-172.7	98.6	0	0	0	108.9
819	K	24	Very low	24.5	Very low	142 Å²	142	141.6 Å²	141.6	62%	0.617	73%	0.733	S	S	*	*			trans	-164.9	76.5	-165.7	-177.5	-176.7	168.9	-175.2	0	109	M817	M817-K819 HydrophobicContact CB-CB 4.03Å; M817-K819 HydrophobicContact CE-CB 4.19Å; M817-K819 HydrophobicContact CE-CD 3.75Å; M817-K819 HydrophobicContact CE-CG 3.91Å; M817-K819 WeakPolarHBondContact CE-O 3.32Å; M817-K819 HydrophobicContact CG-CB 4.02Å; M817-K819 HydrophobicContact CG-CD 4.49Å; M817-K819 PolarHBondContact O-N 3.33Å
820	N	23.8	Very low	24.5	Very low	123 Å²	123	138.9 Å²	138.9	66%	0.658	73%	0.73	S	S	*	*	S	Bend	trans	177.1	138	137.1	-88.9	-13.8	0	0	0	109.6
821	Y	24.7	Very low	24.4	Very low	184 Å²	184	141.6 Å²	141.6	72%	0.722	73%	0.731	S	S	*	*			trans	60.6	71.4	150.2	-72	-124.3	0	0	0	114.8	T823	Y821-T823 WeakPolarHBondContact CD1-O 3.38Å; Y821-T823 WeakPolarHBondContact CE1-O 3.19Å
822	L	20.1	Very low	24.2	Very low	171 Å²	171	139.9 Å²	139.9	90%	0.895	73%	0.727	S	S	*	*	S	Bend		-60.6	135.8	81.5	-80.1	174.3	0	0	0	115.4
823	T	23	Very low	24	Very low	111 Å²	111	137 Å²	137	68%	0.681	71%	0.712	S	S	*	*			trans	66.7	127.3	-170.5	70.6	0	0	0	0	113.7	Y821	Y821-T823 WeakPolarHBondContact CD1-O 3.38Å; Y821-T823 WeakPolarHBondContact CE1-O 3.19Å
824	S	22.6	Very low	23.8	Very low	74 Å²	74	138 Å²	138	52%	0.517	71%	0.711	S	S	.	*			cis	-161.1	135.3	0.8	52.5	0	0	0	0	113.4
825	N	22.9	Very low	23.7	Very low	125 Å²	125	135.7 Å²	135.7	67%	0.668	69%	0.693	S	S	*	*			trans	51.2	156.2	136.5	-38.5	4.3	0	0	0	119.4
826	F	22	Very low	23.7	Very low	167 Å²	167	136.6 Å²	136.6	73%	0.732	70%	0.697	S	S	*	*			cis	-154.2	155.9	20.9	-108.6	-62.9	0	0	0	110.2
827	D	22.7	Very low	23.7	Very low	132 Å²	132	138.8 Å²	138.8	71%	0.706	69%	0.69	S	S	*	*			trans	62.4	145.9	153.1	-54	-34	0	0	0	119
828	E	25	Very low	23.9	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	70%	0.701	S	S	*	*			cis	-134.3	144.8	10.2	-69	-179	115.5	0	0	112.8
829	Y	22.8	Very low	24	Very low	207 Å²	207	138.4 Å²	138.4	81%	0.812	69%	0.686	S	S	*	*			trans	23.6	157.9	144.7	-66.9	-97.9	0	0	0	123.7
830	P	26.7	Very low	24.3	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	69%	0.686	S	S	*	*			cis	-140.1	166	-23.3	38.2	-19.8	0	0	0	117.2
831	K	23.4	Very low	24.4	Very low	143 Å²	143	137.3 Å²	137.3	62%	0.622	69%	0.69	S	S	*	*			trans	9.2	139.2	150.9	-59.9	168.5	171.5	172.9	0	121.9	D1228	K831-D1228 WeakPolarHBondContact CD-OD2 3.42Å; K831-D1228 WeakPolarHBondContact CE-OD2 3.48Å; K831-D1228 IonicContact NZ-OD2 3.81Å; K831-D1228 PolarHBondContact NZ-OD2 3.13Å
832	L	23.4	Very low	24.7	Very low	137 Å²	137	131.8 Å²	131.8	72%	0.717	68%	0.682	S	S	*	*			trans	-155.4	136.4	136.4	-135.1	153.3	0	0	0	111.4
833	N	22.5	Very low	25.3	Very low	77 Å²	77	127.1 Å²	127.1	41%	0.412	66%	0.658	S	S	.	*			trans	-103.6	124.5	-174.3	-79.5	-65.3	0	0	0	113.5	T1230 Y1233	N833-T1230 PolarHBondContact ND2-OG1 3.25Å; N833-Y1233 HydrophobicContact CB-CD2 3.76Å; N833-Y1233 HydrophobicContact CB-CE2 3.82Å
834	I	24.7	Very low	25.7	Very low	148 Å²	148	127.9 Å²	127.9	76%	0.759	65%	0.652	S	S	*	*			trans	-142	137.4	163.9	-57.4	-177.4	0	0	0	109.5
835	P	24.4	Very low	26.3	Very low	71 Å²	71	129.7 Å²	129.7	46%	0.461	66%	0.655	S	S	.	*			trans	-94.4	131.1	176.5	29	-17.5	0	0	0	112.7	R837 Y1233	P835-R837 PolarHBondContact O-N 3Å; P835-Y1233 HydrophobicContact CB-CE2 4.43Å; P835-Y1233 WeakPolarHBondContact CB-OH 3.16Å; P835-Y1233 HydrophobicContact CG-CE2 3.88Å
836	L	27.2	Very low	27.1	Very low	173 Å²	173	127.6 Å²	127.6	91%	0.906	64%	0.642	S	S	*	*			trans	-80.1	96.2	162.4	-70.4	171.7	0	0	0	109.4
837	R	24.2	Very low	27.9	Very low	145 Å²	145	123.8 Å²	123.8	55%	0.547	63%	0.627	S	S	.	*			trans	-65.3	148	168.4	-99.1	-175	168.4	-111.5	3	110.2	P835 M1240	P835-R837 PolarHBondContact O-N 3Å; R837-M1240 PolarHBondContact NH2-SD 3.17Å
838	H	29.4	Very low	28.6	Very low	171 Å²	171	124.5 Å²	124.5	79%	0.792	62%	0.621	S	S	*	*			trans	-76.7	141	164.5	-56.9	7	0	0	0	108.5
839	D	25	Very low	29.3	Very low	128 Å²	128	121.2 Å²	121.2	68%	0.684	61%	0.608	S	S	*	*			trans	170.9	83.5	144.3	-86.1	-26.8	0	0	0	108
840	Q	29.2	Very low	30.2	Very low	131 Å²	131	115.4 Å²	115.4	61%	0.612	59%	0.59	S	S	*	*			trans	171.6	92.5	163.3	-97.8	165.4	-50.7	0	0	109.7	D843	Q840-D843 HydrophobicContact CB-CB 4.25Å; Q840-D843 WeakPolarHBondContact CB-OD1 3.38Å; Q840-D843 WeakPolarHBondContact CG-OD1 3.32Å; Q840-D843 VanDerWaalsContact NE2-CG 3.29Å; Q840-D843 PolarHBondContact NE2-OD1 3.11Å; Q840-D843 PolarHBondContact NE2-OD2 3.28Å
841	C	27.5	Very low	30.8	Very low	110 Å²	110	114.2 Å²	114.2	74%	0.743	58%	0.578	S	S	*	*	S	Bend	trans	-91.1	-19	173.2	-80.2	0	0	0	0	113.4	L845	C841-L845 PolarHBondContact O-N 3.07Å
842	A	29.1	Very low	31.6	Very low	69 Å²	69	114.2 Å²	114.2	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-64.8	-54.2	174.7	0	0	0	0	0	110.5	K844 L845 E846	A842-K844 PolarHBondContact O-N 3.34Å; A842-K844 VanDerWaalsContact O-N 3.17Å; A842-L845 CarbonylContact O-C 3.15Å; A842-L845 WeakPolarHBondContact O-CA 3.37Å; A842-L845 WeakPolarHBondContact O-CB 3.5Å; A842-L845 PolarHBondContact O-N 3.26Å; A842-E846 WeakPolarHBondContact O-CB 3.41Å; A842-E846 PolarHBondContact O-N 3.01Å
843	D	32.8	Very low	32.3	Very low	72 Å²	72	110.4 Å²	110.4	39%	0.385	56%	0.56	S	S	.	*	H	α-helix	trans	-57.2	-33.3	-178.2	-53.2	55.2	0	0	0	112.7	Q840 M847	Q840-D843 HydrophobicContact CB-CB 4.25Å; Q840-D843 WeakPolarHBondContact CB-OD1 3.38Å; Q840-D843 WeakPolarHBondContact CG-OD1 3.32Å; Q840-D843 VanDerWaalsContact NE2-CG 3.29Å; Q840-D843 PolarHBondContact NE2-OD1 3.11Å; Q840-D843 PolarHBondContact NE2-OD2 3.28Å; D843-M847 WeakPolarHBondContact O-CB 3.45Å; D843-M847 PolarHBondContact O-N 3.22Å
844	K	32	Very low	33	Very low	127 Å²	127	110.4 Å²	110.4	55%	0.552	56%	0.559	S	S	*	*	H	α-helix	trans	-69.1	-43.8	173.1	-71.2	-173.5	177.5	-175.8	0	112.2	A842 E846 M847 Y848	A842-K844 PolarHBondContact O-N 3.34Å; A842-K844 VanDerWaalsContact O-N 3.17Å; K844-E846 VanDerWaalsContact C-N 3.35Å; K844-M847 PolarHBondContact O-N 2.88Å; K844-Y848 HydrophobicContact CB-CE2 4.4Å; K844-Y848 WeakPolarHBondContact O-CD2 3.36Å; K844-Y848 PolarHBondContact O-N 3.06Å
845	L	36.4	Very low	33.6	Very low	112 Å²	112	108.5 Å²	108.5	59%	0.586	55%	0.547	S	S	*	.	H	α-helix	trans	-69.5	-37.7	179.7	-147.9	161.1	0	0	0	110.4	C841 A842 Y848 L849	C841-L845 PolarHBondContact O-N 3.07Å; A842-L845 CarbonylContact O-C 3.15Å; A842-L845 WeakPolarHBondContact O-CA 3.37Å; A842-L845 WeakPolarHBondContact O-CB 3.5Å; A842-L845 PolarHBondContact O-N 3.26Å; L845-Y848 PolarHBondContact O-N 3.19Å; L845-L849 HydrophobicContact CD2-CD1 3.73Å; L845-L849 HydrophobicContact CD2-CG 4.1Å; L845-L849 WeakPolarHBondContact O-CB 3.46Å; L845-L849 WeakPolarHBondContact O-CG 3.36Å; L845-L849 PolarHBondContact O-N 3.43Å
846	E	38.2	Very low	34.2	Very low	82 Å²	82	112.1 Å²	112.1	38%	0.383	55%	0.552	S	S	.	*	H	α-helix	trans	-61.7	-47.1	169.6	-175.3	165.6	-155.9	0	0	111.8	A842 K844 Y848 L849 I850	A842-E846 WeakPolarHBondContact O-CB 3.41Å; A842-E846 PolarHBondContact O-N 3.01Å; K844-E846 VanDerWaalsContact C-N 3.35Å; E846-Y848 PolarHBondContact O-N 2.99Å; E846-L849 PolarHBondContact O-N 2.85Å; E846-I850 HydrophobicContact CG-CD1 3.91Å; E846-I850 WeakPolarHBondContact O-CB 3.27Å; E846-I850 VanDerWaalsContact O-CG1 3.26Å; E846-I850 WeakPolarHBondContact O-CG1 3.43Å; E846-I850 PolarHBondContact O-N 2.89Å
847	M	39.9	Very low	34.5	Very low	87 Å²	87	107.8 Å²	107.8	43%	0.429	53%	0.528	S	S	.	.	H	α-helix	trans	-58.7	-44	173.5	-174.5	-162.2	76.9	0	0	112.1	D843 K844 I850 L851	D843-M847 WeakPolarHBondContact O-CB 3.45Å; D843-M847 PolarHBondContact O-N 3.22Å; K844-M847 PolarHBondContact O-N 2.88Å; M847-I850 PolarHBondContact O-N 3Å; M847-L851 HydrophobicContact CE-CD1 4.04Å; M847-L851 HydrophobicContact CG-CD1 4.04Å; M847-L851 WeakPolarHBondContact O-CB 3.43Å; M847-L851 VanDerWaalsContact O-CG 3.29Å; M847-L851 WeakPolarHBondContact O-CG 3.27Å; M847-L851 PolarHBondContact O-N 2.97Å; M847-L851 HydrophobicContact SD-CD1 4.49Å
848	Y	37.5	Very low	35.1	Very low	146 Å²	146	106.3 Å²	106.3	57%	0.573	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-39.5	176.9	-71.7	-55.7	0	0	0	112.3	K844 L845 E846 L851 Q852	K844-Y848 HydrophobicContact CB-CE2 4.4Å; K844-Y848 WeakPolarHBondContact O-CD2 3.36Å; K844-Y848 PolarHBondContact O-N 3.06Å; L845-Y848 PolarHBondContact O-N 3.19Å; E846-Y848 PolarHBondContact O-N 2.99Å; Y848-L851 PolarHBondContact O-N 3.36Å; Y848-Q852 VanDerWaalsContact O-CB 3.23Å; Y848-Q852 WeakPolarHBondContact O-CB 3.23Å; Y848-Q852 PolarHBondContact O-N 2.94Å
849	L	39.9	Very low	35.4	Very low	103 Å²	103	103 Å²	103	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-41.7	173.1	-75.6	167.8	0	0	0	111.8	L845 E846 Q852 L853	L845-L849 HydrophobicContact CD2-CD1 3.73Å; L845-L849 HydrophobicContact CD2-CG 4.1Å; L845-L849 WeakPolarHBondContact O-CB 3.46Å; L845-L849 WeakPolarHBondContact O-CG 3.36Å; L845-L849 PolarHBondContact O-N 3.43Å; E846-L849 PolarHBondContact O-N 2.85Å; L849-Q852 PolarHBondContact O-N 3.44Å; L849-L853 VanDerWaalsContact O-CB 3.27Å; L849-L853 WeakPolarHBondContact O-CB 3.46Å; L849-L853 PolarHBondContact O-N 3.09Å
850	I	41	Very low	35.9	Very low	85 Å²	85	99.6 Å²	99.6	44%	0.436	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-48.6	175.7	-72.7	165.4	0	0	0	110.6	E846 M847 Q852 L853 I854	E846-I850 HydrophobicContact CG-CD1 3.91Å; E846-I850 WeakPolarHBondContact O-CB 3.27Å; E846-I850 VanDerWaalsContact O-CG1 3.26Å; E846-I850 WeakPolarHBondContact O-CG1 3.43Å; E846-I850 PolarHBondContact O-N 2.89Å; M847-I850 PolarHBondContact O-N 3Å; I850-Q852 PolarHBondContact O-N 3.15Å; I850-L853 PolarHBondContact O-N 2.88Å; I850-I854 HydrophobicContact CG2-CD1 3.71Å; I850-I854 WeakPolarHBondContact O-CB 3.46Å; I850-I854 VanDerWaalsContact O-CG1 3.24Å; I850-I854 WeakPolarHBondContact O-CG1 3.46Å; I850-I854 PolarHBondContact O-N 3.45Å
851	L	40.3	Very low	36	Very low	82 Å²	82	99.2 Å²	99.2	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-43.6	178.2	-71.9	168.1	0	0	0	112	M847 Y848 L853 I854 E855	M847-L851 HydrophobicContact CE-CD1 4.04Å; M847-L851 HydrophobicContact CG-CD1 4.04Å; M847-L851 WeakPolarHBondContact O-CB 3.43Å; M847-L851 VanDerWaalsContact O-CG 3.29Å; M847-L851 WeakPolarHBondContact O-CG 3.27Å; M847-L851 PolarHBondContact O-N 2.97Å; M847-L851 HydrophobicContact SD-CD1 4.49Å; Y848-L851 PolarHBondContact O-N 3.36Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 3.1Å; L851-I854 PolarHBondContact O-N 3.11Å; L851-E855 PolarHBondContact O-N 2.9Å; L851-E855 VanDerWaalsContact O-N 3.08Å
852	Q	39.6	Very low	36.2	Very low	142 Å²	142	100.1 Å²	100.1	66%	0.664	49%	0.492	S	S	*	.	H	α-helix	trans	-68.1	-32.7	179	-166	168.4	31.1	0	0	112.2	Y848 L849 I850 W856	Y848-Q852 VanDerWaalsContact O-CB 3.23Å; Y848-Q852 WeakPolarHBondContact O-CB 3.23Å; Y848-Q852 PolarHBondContact O-N 2.94Å; L849-Q852 PolarHBondContact O-N 3.44Å; I850-Q852 PolarHBondContact O-N 3.15Å; Q852-W856 WeakPolarHBondContact O-CB 3.19Å; Q852-W856 PolarHBondContact O-N 3.3Å
853	L	37.1	Very low	36.4	Very low	57 Å²	57	103.2 Å²	103.2	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-70.9	-39.9	172	-164.3	90.3	0	0	0	111.9	L849 I850 L851 W856 M857 L908	L849-L853 VanDerWaalsContact O-CB 3.27Å; L849-L853 WeakPolarHBondContact O-CB 3.46Å; L849-L853 PolarHBondContact O-N 3.09Å; I850-L853 PolarHBondContact O-N 2.88Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 3.1Å; L853-W856 PolarHBondContact O-N 3.44Å; L853-M857 HydrophobicContact CD2-SD 4.02Å; L853-M857 HydrophobicContact CG-SD 4.28Å; L853-M857 WeakPolarHBondContact O-CB 3.49Å; L853-M857 WeakPolarHBondContact O-CG 3.34Å; L853-M857 PolarHBondContact O-N 3.23Å; L853-L908 HydrophobicContact CD1-CD2 3.78Å; L853-L908 HydrophobicContact CD2-CD2 3.84Å; L853-L908 HydrophobicContact CD2-CG 4.45Å; L853-L908 HydrophobicContact CG-CD2 4.48Å
854	I	38.6	Very low	36.3	Very low	78 Å²	78	104.3 Å²	104.3	40%	0.4	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-45.5	176.9	-74.3	164.6	0	0	0	110.9	I850 L851 W856 M857 K858	I850-I854 HydrophobicContact CG2-CD1 3.71Å; I850-I854 WeakPolarHBondContact O-CB 3.46Å; I850-I854 VanDerWaalsContact O-CG1 3.24Å; I850-I854 WeakPolarHBondContact O-CG1 3.46Å; I850-I854 PolarHBondContact O-N 3.45Å; L851-I854 PolarHBondContact O-N 3.11Å; I854-W856 VanDerWaalsContact C-N 3.35Å; I854-W856 PolarHBondContact O-N 2.98Å; I854-M857 PolarHBondContact O-N 2.89Å; I854-K858 WeakPolarHBondContact O-CG 3.42Å; I854-K858 PolarHBondContact O-N 3.19Å
855	E	37.2	Very low	36.1	Very low	108 Å²	108	105.3 Å²	105.3	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-36.7	175	-73.8	-51.7	129.5	0	0	112.9	L851 K858 K859	L851-E855 PolarHBondContact O-N 2.9Å; L851-E855 VanDerWaalsContact O-N 3.08Å; E855-K858 WeakPolarHBondContact OE1-CE 3.39Å; E855-K858 IonicContact OE1-NZ 2.65Å; E855-K858 PolarHBondContact OE1-NZ 2.69Å; E855-K858 IonicContact OE2-NZ 3.87Å; E855-K859 PolarHBondContact O-N 3.13Å
856	W	36.8	Very low	35.8	Very low	146 Å²	146	107.4 Å²	107.4	55%	0.553	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-41.6	174	-172.3	80.1	0	0	0	112	Q852 L853 I854 K859 T860	Q852-W856 WeakPolarHBondContact O-CB 3.19Å; Q852-W856 PolarHBondContact O-N 3.3Å; L853-W856 PolarHBondContact O-N 3.44Å; I854-W856 VanDerWaalsContact C-N 3.35Å; I854-W856 PolarHBondContact O-N 2.98Å; W856-K859 WeakPolarHBondContact O-CB 3.45Å; W856-K859 PolarHBondContact O-N 2.83Å; W856-K859 VanDerWaalsContact O-N 3.09Å; W856-T860 HydrophobicContact CD2-CG2 4.44Å; W856-T860 HydrophobicContact CE3-CG2 4.4Å; W856-T860 HydrophobicContact CH2-CG2 4.05Å; W856-T860 HydrophobicContact CZ2-CG2 4.09Å; W856-T860 HydrophobicContact CZ3-CG2 4.21Å; W856-T860 PolarHBondContact O-N 3.2Å; W856-T860 VanDerWaalsContact O-N 3.13Å
857	M	33.6	Very low	35.2	Very low	83 Å²	83	111.9 Å²	111.9	41%	0.409	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-42.7	177.8	-74.2	176.7	61.6	0	0	112.7	L853 I854 K859 T860 D861	L853-M857 HydrophobicContact CD2-SD 4.02Å; L853-M857 HydrophobicContact CG-SD 4.28Å; L853-M857 WeakPolarHBondContact O-CB 3.49Å; L853-M857 WeakPolarHBondContact O-CG 3.34Å; L853-M857 PolarHBondContact O-N 3.23Å; I854-M857 PolarHBondContact O-N 2.89Å; M857-K859 PolarHBondContact O-N 3.48Å; M857-K859 VanDerWaalsContact O-N 3.13Å; M857-T860 WeakPolarHBondContact CA-OG1 3.4Å; M857-T860 PolarHBondContact O-N 3.04Å; M857-T860 VanDerWaalsContact O-N 3.09Å; M857-T860 PolarHBondContact O-OG1 2.92Å; M857-D861 PolarHBondContact O-N 3.46Å
858	K	36.6	Very low	34.5	Very low	114 Å²	114	111 Å²	111	50%	0.496	57%	0.569	S	S	.	*	H	α-helix	trans	-54.4	-31.2	171.3	-73.4	176.4	-178.9	176.8	0	112.5	I854 E855 N862	I854-K858 WeakPolarHBondContact O-CG 3.42Å; I854-K858 PolarHBondContact O-N 3.19Å; E855-K858 WeakPolarHBondContact OE1-CE 3.39Å; E855-K858 IonicContact OE1-NZ 2.65Å; E855-K858 PolarHBondContact OE1-NZ 2.69Å; E855-K858 IonicContact OE2-NZ 3.87Å; K858-N862 PolarHBondContact O-ND2 2.94Å
859	K	34.9	Very low	34	Very low	101 Å²	101	112.4 Å²	112.4	44%	0.439	59%	0.586	S	S	.	*	H	α-helix	trans	-81.8	-30.1	-179.8	-154.7	163.1	-170.8	166.5	0	112.7	E855 W856 M857 I863	E855-K859 PolarHBondContact O-N 3.13Å; W856-K859 WeakPolarHBondContact O-CB 3.45Å; W856-K859 PolarHBondContact O-N 2.83Å; W856-K859 VanDerWaalsContact O-N 3.09Å; M857-K859 PolarHBondContact O-N 3.48Å; M857-K859 VanDerWaalsContact O-N 3.13Å; K859-I863 WeakPolarHBondContact O-CG1 3.46Å
860	T	35.4	Very low	33.4	Very low	56 Å²	56	111.3 Å²	111.3	34%	0.344	60%	0.6	S	S	.	*	H	α-helix	trans	-71.1	-36.5	176.5	43.6	0	0	0	0	113.9	W856 M857 N862 I863	W856-T860 HydrophobicContact CD2-CG2 4.44Å; W856-T860 HydrophobicContact CE3-CG2 4.4Å; W856-T860 HydrophobicContact CH2-CG2 4.05Å; W856-T860 HydrophobicContact CZ2-CG2 4.09Å; W856-T860 HydrophobicContact CZ3-CG2 4.21Å; W856-T860 PolarHBondContact O-N 3.2Å; W856-T860 VanDerWaalsContact O-N 3.13Å; M857-T860 WeakPolarHBondContact CA-OG1 3.4Å; M857-T860 PolarHBondContact O-N 3.04Å; M857-T860 VanDerWaalsContact O-N 3.09Å; M857-T860 PolarHBondContact O-OG1 2.92Å; T860-N862 VanDerWaalsContact C-N 3.25Å; T860-N862 PolarHBondContact O-N 2.87Å; T860-I863 WeakPolarHBondContact O-CB 3.12Å; T860-I863 PolarHBondContact O-N 3.06Å; T860-I863 VanDerWaalsContact O-N 3.1Å
861	D	31.2	Very low	32.8	Very low	124 Å²	124	113 Å²	113	66%	0.663	62%	0.615	S	S	*	*	H	α-helix	trans	-65	-31.3	-179.5	-69.5	-27	0	0	0	112.7	M857 I863 S864	M857-D861 PolarHBondContact O-N 3.46Å; D861-I863 VanDerWaalsContact C-N 3.3Å; D861-I863 PolarHBondContact O-N 2.83Å; D861-S864 PolarHBondContact O-OG 3.13Å
862	N	31.4	Very low	32.3	Very low	129 Å²	129	114.9 Å²	114.9	69%	0.69	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-76.4	-8.8	176.8	-75.5	-69.9	0	0	0	114.3	K858 T860 S864	K858-N862 PolarHBondContact O-ND2 2.94Å; T860-N862 VanDerWaalsContact C-N 3.25Å; T860-N862 PolarHBondContact O-N 2.87Å; N862-S864 PolarHBondContact O-N 3.23Å
863	I	33.8	Very low	31.9	Very low	134 Å²	134	116.3 Å²	116.3	69%	0.687	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-80.4	-5.8	178.3	-69.3	170.6	0	0	0	112	K859 T860 D861 H865	K859-I863 WeakPolarHBondContact O-CG1 3.46Å; T860-I863 WeakPolarHBondContact O-CB 3.12Å; T860-I863 PolarHBondContact O-N 3.06Å; T860-I863 VanDerWaalsContact O-N 3.1Å; D861-I863 VanDerWaalsContact C-N 3.3Å; D861-I863 PolarHBondContact O-N 2.83Å; I863-H865 PolarHBondContact O-N 2.69Å
864	S	31.9	Very low	31.6	Very low	94 Å²	94	116.9 Å²	116.9	66%	0.657	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-68.1	-13.8	176.6	59	0	0	0	0	115.1	D861 N862	D861-S864 PolarHBondContact O-OG 3.13Å; N862-S864 PolarHBondContact O-N 3.23Å
865	H	28	Very low	31.4	Very low	149 Å²	149	117.7 Å²	117.7	69%	0.69	65%	0.653	S	S	*	*	S	Bend	trans	-134.1	126	179.2	-85.2	-50.7	0	0	0	115.4	I863	I863-H865 PolarHBondContact O-N 2.69Å
866	N	28.3	Very low	31.3	Very low	156 Å²	156	116.4 Å²	116.4	83%	0.834	65%	0.652	S	S	*	*			trans	86.1	121.3	168.4	-56.5	-42.1	0	0	0	117.8
867	N	26.4	Very low	31	Very low	176 Å²	176	114.3 Å²	114.3	94%	0.941	65%	0.652	S	S	*	*			trans	-78	146.7	172.6	-58	-55.4	0	0	0	111.4
868	G	26.2	Very low	30.9	Very low	68 Å²	68	116 Å²	116	70%	0.701	66%	0.655	S	S	*	*			trans	141	108.7	150.2	0	0	0	0	0	116.9
869	N	26.4	Very low	30.7	Very low	175 Å²	175	116.3 Å²	116.3	94%	0.936	66%	0.661	S	S	*	*			trans	45.3	108.3	147.7	-57	-5	0	0	0	119.4
870	G	27.4	Very low	30.7	Very low	81 Å²	81	115.6 Å²	115.6	84%	0.835	66%	0.662	S	S	*	*			trans	172.4	104.1	160.3	0	0	0	0	0	111.8
871	T	28	Very low	30.6	Very low	121 Å²	121	118 Å²	118	74%	0.742	67%	0.669	S	S	*	*			trans	-91.2	155.7	171.5	61.2	0	0	0	0	111
872	D	30.5	Very low	30.7	Very low	121 Å²	121	114 Å²	114	65%	0.647	65%	0.654	S	S	*	*	S	Bend	trans	70.9	-178.3	161.9	-46.3	-53.1	0	0	0	117.6	S874	D872-S874 VanDerWaalsContact C-N 3.34Å; D872-S874 PolarHBondContact O-N 3.36Å; D872-S874 VanDerWaalsContact O-N 3.08Å
873	Q	29.3	Very low	30.7	Very low	171 Å²	171	114.9 Å²	114.9	80%	0.799	65%	0.653	S	S	*	*			trans	60.2	5.7	176.6	-101	67.1	8.8	0	0	120.5
874	S	32.2	Very low	30.8	Very low	69 Å²	69	115.8 Å²	115.8	48%	0.483	65%	0.652	S	S	.	*			trans	-118.4	33.5	-171.5	62.9	0	0	0	0	117.7	D872 Y878	D872-S874 VanDerWaalsContact C-N 3.34Å; D872-S874 PolarHBondContact O-N 3.36Å; D872-S874 VanDerWaalsContact O-N 3.08Å; S874-Y878 WeakPolarHBondContact O-CD2 3.23Å; S874-Y878 WeakPolarHBondContact O-CE2 3.35Å
875	S	33.5	Very low	30.8	Very low	96 Å²	96	118.5 Å²	118.5	67%	0.671	66%	0.655	S	S	*	*	S	Bend	trans	-112.3	-38.8	172.9	56.1	0	0	0	0	114.7
876	V	35.2	Very low	30.9	Very low	80 Å²	80	119.8 Å²	119.8	49%	0.485	66%	0.659	S	S	.	*	S	Bend	trans	-79.2	-36.4	-174.8	180	0	0	0	0	112.6	Y878 L879	V876-Y878 VanDerWaalsContact C-N 3.34Å; V876-Y878 PolarHBondContact O-N 3.11Å; V876-L879 PolarHBondContact O-N 3.23Å
877	N	31.9	Very low	31	Very low	103 Å²	103	119.6 Å²	119.6	55%	0.551	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-36.2	-176.8	-72	-5	0	0	0	112.9	L879 L880 E881	N877-L879 VanDerWaalsContact C-N 3.26Å; N877-L879 PolarHBondContact O-N 2.89Å; N877-L880 CarbonylContact O-C 3.02Å; N877-L880 WeakPolarHBondContact O-CA 3.42Å; N877-L880 WeakPolarHBondContact O-CB 3.49Å; N877-L880 PolarHBondContact O-N 3.21Å; N877-E881 WeakPolarHBondContact O-CB 3.44Å; N877-E881 PolarHBondContact O-N 2.81Å
878	Y	31.4	Very low	31.1	Very low	118 Å²	118	119.4 Å²	119.4	46%	0.463	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-23.7	-179.8	-65.8	-58.8	0	0	0	113.8	S874 V876 E881 A882	S874-Y878 WeakPolarHBondContact O-CD2 3.23Å; S874-Y878 WeakPolarHBondContact O-CE2 3.35Å; V876-Y878 VanDerWaalsContact C-N 3.34Å; V876-Y878 PolarHBondContact O-N 3.11Å; Y878-E881 PolarHBondContact O-N 3.35Å; Y878-A882 VanDerWaalsContact O-CB 3.28Å; Y878-A882 WeakPolarHBondContact O-CB 3.4Å; Y878-A882 PolarHBondContact O-N 3.28Å
879	L	31.8	Very low	31.2	Very low	121 Å²	121	124.2 Å²	124.2	63%	0.634	65%	0.653	S	S	*	*	H	α-helix	trans	-68.4	-43	170.6	-75.3	166.6	0	0	0	110.9	V876 N877 E881 E883	V876-L879 PolarHBondContact O-N 3.23Å; N877-L879 VanDerWaalsContact C-N 3.26Å; N877-L879 PolarHBondContact O-N 2.89Å; L879-E881 PolarHBondContact O-N 3.05Å; L879-E883 WeakPolarHBondContact O-CB 3.48Å; L879-E883 PolarHBondContact O-N 3.43Å
880	L	34.1	Very low	31.5	Very low	85 Å²	85	120.9 Å²	120.9	45%	0.445	64%	0.635	S	S	.	*	H	α-helix	trans	-74.4	-4.1	175.5	-79.6	162.2	0	0	0	114.6	N877 K884	N877-L880 CarbonylContact O-C 3.02Å; N877-L880 WeakPolarHBondContact O-CA 3.42Å; N877-L880 WeakPolarHBondContact O-CB 3.49Å; N877-L880 PolarHBondContact O-N 3.21Å; L880-K884 WeakPolarHBondContact O-CD 3.19Å; L880-K884 WeakPolarHBondContact O-CE 3.3Å; L880-K884 PolarHBondContact O-NZ 3.23Å
881	E	34.1	Very low	31.8	Very low	107 Å²	107	123.4 Å²	123.4	50%	0.5	63%	0.628	S	S	.	*	H	α-helix	trans	-104.9	-44.9	177.6	-151.6	148.1	-125.3	0	0	109.5	N877 Y878 L879 E883 K884 E885	N877-E881 WeakPolarHBondContact O-CB 3.44Å; N877-E881 PolarHBondContact O-N 2.81Å; Y878-E881 PolarHBondContact O-N 3.35Å; L879-E881 PolarHBondContact O-N 3.05Å; E881-E883 VanDerWaalsContact C-N 3.35Å; E881-E883 PolarHBondContact O-N 3.35Å; E881-K884 WeakPolarHBondContact O-CA 3.35Å; E881-K884 WeakPolarHBondContact O-CB 3.16Å; E881-K884 PolarHBondContact O-N 3.25Å; E881-E885 PolarHBondContact O-N 3.02Å
882	A	31.9	Very low	31.9	Very low	41 Å²	41	124.3 Å²	124.3	34%	0.339	62%	0.624	S	S	.	*	H	α-helix	trans	-59.8	-41.4	167.8	0	0	0	0	0	112.4	Y878 K884 E885 F886	Y878-A882 VanDerWaalsContact O-CB 3.28Å; Y878-A882 WeakPolarHBondContact O-CB 3.4Å; Y878-A882 PolarHBondContact O-N 3.28Å; A882-K884 PolarHBondContact O-N 3.23Å; A882-K884 VanDerWaalsContact O-N 3.07Å; A882-E885 PolarHBondContact O-N 3.24Å; A882-F886 WeakPolarHBondContact O-CD2 3.3Å; A882-F886 PolarHBondContact O-N 2.76Å; A882-F886 VanDerWaalsContact O-N 3.16Å
883	E	33.4	Very low	32.1	Very low	146 Å²	146	124.1 Å²	124.1	68%	0.682	62%	0.619	S	S	*	*	H	α-helix	trans	-61.8	-13.1	174	-171	173.6	-136.2	0	0	113	L879 E881	L879-E883 WeakPolarHBondContact O-CB 3.48Å; L879-E883 PolarHBondContact O-N 3.43Å; E881-E883 VanDerWaalsContact C-N 3.35Å; E881-E883 PolarHBondContact O-N 3.35Å
884	K	34.1	Very low	32.3	Very low	153 Å²	153	121.3 Å²	121.3	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-103.4	-30.6	174.2	-69.4	174.6	-173.2	145.7	0	114.3	L880 E881 A882 F886	L880-K884 WeakPolarHBondContact O-CD 3.19Å; L880-K884 WeakPolarHBondContact O-CE 3.3Å; L880-K884 PolarHBondContact O-NZ 3.23Å; E881-K884 WeakPolarHBondContact O-CA 3.35Å; E881-K884 WeakPolarHBondContact O-CB 3.16Å; E881-K884 PolarHBondContact O-N 3.25Å; A882-K884 PolarHBondContact O-N 3.23Å; A882-K884 VanDerWaalsContact O-N 3.07Å; K884-F886 VanDerWaalsContact C-N 3.35Å
885	E	32.8	Very low	32.4	Very low	152 Å²	152	124.8 Å²	124.8	71%	0.71	62%	0.618	S	S	*	*	H	α-helix	trans	-75.6	-23.7	176.1	-70	-166.3	139.4	0	0	112.6	E881 A882 D887 E888	E881-E885 PolarHBondContact O-N 3.02Å; A882-E885 PolarHBondContact O-N 3.24Å; E885-D887 PolarHBondContact O-N 3Å; E885-E888 PolarHBondContact O-N 3.17Å
886	F	30.5	Very low	32.3	Very low	176 Å²	176	127.4 Å²	127.4	77%	0.772	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-10.6	179.7	-98.4	-78	0	0	0	115.6	A882 K884	A882-F886 WeakPolarHBondContact O-CD2 3.3Å; A882-F886 PolarHBondContact O-N 2.76Å; A882-F886 VanDerWaalsContact O-N 3.16Å; K884-F886 VanDerWaalsContact C-N 3.35Å
887	D	30	Very low	32.2	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-13.9	174.2	-96.6	-16.2	0	0	0	113.4	E885	E885-D887 PolarHBondContact O-N 3Å
888	E	28.5	Very low	32	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	63%	0.628	S	S	*	*	S	Bend	trans	-136.1	59.8	-176.1	-71.4	-160.1	130	0	0	115	E885	E885-E888 PolarHBondContact O-N 3.17Å
889	F	28.9	Very low	32.1	Very low	169 Å²	169	131.3 Å²	131.3	74%	0.741	64%	0.643	S	S	*	*			trans	-149.8	146.7	151.8	-130.7	-87	0	0	0	115.9
890	N	32	Very low	31.9	Very low	106 Å²	106	129.7 Å²	129.7	57%	0.567	64%	0.642	S	S	*	*			trans	-97.4	116.1	-169.6	-170.7	-1.7	0	0	0	112.6	Q892 Q893	N890-Q892 PolarHBondContact O-N 3.34Å; N890-Q892 VanDerWaalsContact O-N 3.09Å; N890-Q893 PolarHBondContact O-N 2.92Å
891	I	33.4	Very low	31.5	Very low	133 Å²	133	130.9 Å²	130.9	68%	0.682	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-28.6	-168.4	-68.2	174.7	0	0	0	114	Q893 L894	I891-Q893 VanDerWaalsContact C-N 3.32Å; I891-Q893 PolarHBondContact O-N 2.88Å; I891-L894 PolarHBondContact O-N 3.38Å
892	Q	30.3	Very low	31.2	Very low	140 Å²	140	135.9 Å²	135.9	65%	0.654	67%	0.669	S	S	*	*	H	α-helix	trans	-61.6	-33.2	-176.8	-70.2	-175.8	-62.3	0	0	113.9	N890 L894 Q895 E896	N890-Q892 PolarHBondContact O-N 3.34Å; N890-Q892 VanDerWaalsContact O-N 3.09Å; Q892-L894 PolarHBondContact O-N 2.87Å; Q892-Q895 PolarHBondContact O-N 3.39Å; Q892-E896 PolarHBondContact O-N 2.93Å
893	Q	35.3	Very low	31	Very low	118 Å²	118	139.3 Å²	139.3	55%	0.551	68%	0.68	S	S	*	*	H	α-helix	trans	-69.7	-30.3	-179.3	-91.6	-174.3	-23.6	0	0	113.7	N890 I891 Q895 Q897	N890-Q893 PolarHBondContact O-N 2.92Å; I891-Q893 VanDerWaalsContact C-N 3.32Å; I891-Q893 PolarHBondContact O-N 2.88Å; Q893-Q895 VanDerWaalsContact C-N 3.3Å; Q893-Q897 PolarHBondContact O-N 3Å
894	L	32.8	Very low	30.6	Very low	111 Å²	111	138.9 Å²	138.9	58%	0.581	68%	0.682	S	S	*	*	H	α-helix	trans	-67	-35.8	173.6	-100.2	162.5	0	0	0	111.4	I891 Q892 Q897 M898	I891-L894 PolarHBondContact O-N 3.38Å; Q892-L894 PolarHBondContact O-N 2.87Å; L894-Q897 PolarHBondContact O-N 2.95Å; L894-M898 WeakPolarHBondContact O-CG 3.32Å; L894-M898 PolarHBondContact O-N 3.39Å; L894-M898 VanDerWaalsContact O-N 3.09Å
895	Q	35.2	Very low	30.5	Very low	142 Å²	142	134.9 Å²	134.9	66%	0.664	67%	0.668	S	S	*	*	H	α-helix	trans	-72.2	-32.3	-176.9	-151.2	165.8	7.9	0	0	112.4	Q892 Q893	Q892-Q895 PolarHBondContact O-N 3.39Å; Q893-Q895 VanDerWaalsContact C-N 3.3Å
896	E	31.8	Very low	30.9	Very low	152 Å²	152	129.6 Å²	129.6	71%	0.71	65%	0.647	S	S	*	*	H	α-helix	trans	-78.7	-27.4	172.3	-68.5	-170.5	136.8	0	0	113.7	Q892 T899	Q892-E896 PolarHBondContact O-N 2.93Å; E896-T899 PolarHBondContact O-OG1 3.31Å; E896-T899 VanDerWaalsContact O-OG1 3.05Å
897	Q	31.2	Very low	31.1	Very low	125 Å²	125	123.8 Å²	123.8	58%	0.584	62%	0.624	S	S	*	*	H	α-helix	trans	-81.1	-32.1	177.2	-72.4	-164.2	-5.8	0	0	113.6	Q893 L894 T899 S900	Q893-Q897 PolarHBondContact O-N 3Å; L894-Q897 PolarHBondContact O-N 2.95Å; Q897-T899 PolarHBondContact O-N 2.99Å; Q897-S900 PolarHBondContact O-N 2.89Å; Q897-S900 PolarHBondContact O-OG 3.34Å
898	M	28.9	Very low	31.7	Very low	130 Å²	130	119.2 Å²	119.2	64%	0.64	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-23.8	178.4	-82.3	-168.3	171.7	0	0	114.2	L894 S900	L894-M898 WeakPolarHBondContact O-CG 3.32Å; L894-M898 PolarHBondContact O-N 3.39Å; L894-M898 VanDerWaalsContact O-N 3.09Å; M898-S900 VanDerWaalsContact C-N 3.27Å; M898-S900 PolarHBondContact O-N 3.48Å
899	T	32.4	Very low	32.2	Very low	127 Å²	127	113.6 Å²	113.6	78%	0.779	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-3.5	175.7	53.5	0	0	0	0	113.9	E896 Q897	E896-T899 PolarHBondContact O-OG1 3.31Å; E896-T899 VanDerWaalsContact O-OG1 3.05Å; Q897-T899 PolarHBondContact O-N 2.99Å
900	S	28	Very low	32.4	Very low	87 Å²	87	106 Å²	106	61%	0.608	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-16.9	-174.7	74.2	0	0	0	0	115.3	Q897 M898	Q897-S900 PolarHBondContact O-N 2.89Å; Q897-S900 PolarHBondContact O-OG 3.34Å; M898-S900 VanDerWaalsContact C-N 3.27Å; M898-S900 PolarHBondContact O-N 3.48Å
901	L	26.5	Very low	32.6	Very low	111 Å²	111	101.1 Å²	101.1	58%	0.581	52%	0.521	S	S	*	.			trans	-107.4	127.2	-170.6	-74.6	164.5	0	0	0	112.1	I903	L901-I903 HydrophobicContact CB-CG1 4.29Å; L901-I903 PolarHBondContact O-N 3.09Å
902	K	27	Very low	32.8	Very low	211 Å²	211	96.1 Å²	96.1	92%	0.917	50%	0.5	S	S	*	.			trans	-68.5	114.7	166	-65.5	175.4	179.1	177.9	0	108.1
903	I	28.5	Very low	32.9	Very low	113 Å²	113	93.5 Å²	93.5	58%	0.579	50%	0.503	S	S	*	.			trans	-114.7	118.5	-179.9	-66.4	169.5	0	0	0	108.8	L901 I905	L901-I903 HydrophobicContact CB-CG1 4.29Å; L901-I903 PolarHBondContact O-N 3.09Å; I903-I905 PolarHBondContact O-N 3.19Å
904	D	25.3	Very low	32.8	Very low	137 Å²	137	90.7 Å²	90.7	73%	0.733	49%	0.491	S	S	*	.			trans	-76.5	107.8	175.1	-71.4	-58.7	0	0	0	110.1	S906 V1061	D904-S906 PolarHBondContact O-N 3.17Å; D904-V1061 HydrophobicContact CB-CG2 4.25Å; D904-V1061 WeakPolarHBondContact OD1-CG2 3.39Å
905	I	31.1	Very low	32.7	Very low	69 Å²	69	88.3 Å²	88.3	35%	0.354	49%	0.493	S	S	.	.			trans	-71.4	118.4	-179.4	-59.1	169.3	0	0	0	109.1	I903 V1061 L1065	I903-I905 PolarHBondContact O-N 3.19Å; I905-V1061 HydrophobicContact CB-CG1 3.74Å; I905-V1061 HydrophobicContact CD1-CG1 4.38Å; I905-V1061 HydrophobicContact CG1-CG1 4.21Å; I905-L1065 HydrophobicContact CD1-CD1 3.9Å
906	S	40.8	Very low	33	Very low	41 Å²	41	85.2 Å²	85.2	29%	0.287	48%	0.476	S	S	.	.			trans	-66.4	151.9	177.3	84.3	0	0	0	0	111.9	D904 L908 S909 C910	D904-S906 PolarHBondContact O-N 3.17Å; S906-L908 PolarHBondContact O-N 3.01Å; S906-L908 PolarHBondContact OG-N 2.87Å; S906-S909 PolarHBondContact O-N 2.65Å; S906-S909 VanDerWaalsContact O-N 3.12Å; S906-S909 PolarHBondContact O-OG 3.29Å; S906-S909 PolarHBondContact OG-OG 2.86Å; S906-S909 VanDerWaalsContact OG-OG 3.1Å; S906-C910 PolarHBondContact O-N 3.26Å
907	L	36	Very low	33.7	Very low	54 Å²	54	81.2 Å²	81.2	28%	0.283	47%	0.465	S	S	.	.	H	α-helix	trans	-53.2	-28.4	175	174.4	61.6	0	0	0	113.2	A911 L996 W999	L907-A911 PolarHBondContact O-N 2.97Å; L907-L996 HydrophobicContact CD1-CD2 4.18Å; L907-L996 HydrophobicContact CD2-CD2 3.68Å; L907-L996 HydrophobicContact CG-CD2 4.38Å; L907-W999 HydrophobicContact CD1-CB 4.28Å; L907-W999 HydrophobicContact CD1-CD2 4.08Å; L907-W999 HydrophobicContact CD1-CG 3.79Å
908	L	41.3	Very low	34.1	Very low	55 Å²	55	78.5 Å²	78.5	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-73.6	-36.8	-179	-176.5	55.7	0	0	0	112.7	L853 S906 C910 A911 A912 I920 L923	L853-L908 HydrophobicContact CD1-CD2 3.78Å; L853-L908 HydrophobicContact CD2-CD2 3.84Å; L853-L908 HydrophobicContact CD2-CG 4.45Å; L853-L908 HydrophobicContact CG-CD2 4.48Å; S906-L908 PolarHBondContact O-N 3.01Å; S906-L908 PolarHBondContact OG-N 2.87Å; L908-C910 VanDerWaalsContact C-N 3.3Å; L908-C910 PolarHBondContact O-N 3.3Å; L908-A911 PolarHBondContact O-N 2.67Å; L908-A912 PolarHBondContact O-N 3.41Å; L908-I920 HydrophobicContact CD1-CG1 4.17Å; L908-L923 HydrophobicContact CD1-CD1 4.01Å
909	S	39	Very low	34.8	Very low	55 Å²	55	73 Å²	73	39%	0.385	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-34.3	174.6	-2.4	0	0	0	0	111.3	S906 A913	S906-S909 PolarHBondContact O-N 2.65Å; S906-S909 VanDerWaalsContact O-N 3.12Å; S906-S909 PolarHBondContact O-OG 3.29Å; S906-S909 PolarHBondContact OG-OG 2.86Å; S906-S909 VanDerWaalsContact OG-OG 3.1Å; S909-A913 WeakPolarHBondContact O-CB 3.44Å; S909-A913 PolarHBondContact O-N 2.98Å; S909-A913 VanDerWaalsContact O-N 3.1Å
910	C	33.9	Very low	35.5	Very low	8 Å²	8	69.5 Å²	69.5	5%	0.054	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-41.5	171.2	-60.3	0	0	0	0	111.9	S906 L908 A912 A913 L914 W999	S906-C910 PolarHBondContact O-N 3.26Å; L908-C910 VanDerWaalsContact C-N 3.3Å; L908-C910 PolarHBondContact O-N 3.3Å; C910-A912 VanDerWaalsContact C-N 3.29Å; C910-A912 PolarHBondContact O-N 3.45Å; C910-A913 PolarHBondContact O-N 3.49Å; C910-L914 WeakPolarHBondContact O-CD1 3.1Å; C910-L914 WeakPolarHBondContact O-CG 3.38Å; C910-L914 PolarHBondContact O-N 2.96Å; C910-W999 HydrophobicContact CB-CH2 4.41Å; C910-W999 HydrophobicContact CB-CZ3 4.14Å; C910-W999 WeakPolarHBondContact SG-CH2 3.49Å; C910-W999 WeakPolarHBondContact SG-CZ3 3.25Å
911	A	35.6	Very low	36.3	Very low	4 Å²	4	67.8 Å²	67.8	3%	0.033	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-37.4	176.6	0	0	0	0	0	112.9	L907 L908 Y916 L919 I920	L907-A911 PolarHBondContact O-N 2.97Å; L908-A911 PolarHBondContact O-N 2.67Å; A911-Y916 PolarHBondContact O-N 2.92Å; A911-L919 HydrophobicContact CB-CD2 3.57Å; A911-L919 HydrophobicContact CB-CG 4.03Å; A911-I920 HydrophobicContact CB-CG1 4.37Å
912	A	37.2	Very low	37.2	Very low	29 Å²	29	64.1 Å²	64.1	24%	0.24	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-55.7	174.4	0	0	0	0	0	112.2	L908 C910 L914 G915 I920	L908-A912 PolarHBondContact O-N 3.41Å; C910-A912 VanDerWaalsContact C-N 3.29Å; C910-A912 PolarHBondContact O-N 3.45Å; A912-L914 PolarHBondContact O-N 3.4Å; A912-G915 PolarHBondContact O-N 3.46Å; A912-I920 HydrophobicContact CB-CD1 4.14Å
913	A	32.6	Very low	38.1	Very low	85 Å²	85	56.4 Å²	56.4	70%	0.702	34%	0.343	S	S	*	.	H	α-helix	trans	-62.1	-7.2	-176.7	0	0	0	0	0	115.3	S909 C910	S909-A913 WeakPolarHBondContact O-CB 3.44Å; S909-A913 PolarHBondContact O-N 2.98Å; S909-A913 VanDerWaalsContact O-N 3.1Å; C910-A913 PolarHBondContact O-N 3.49Å
914	L	33	Very low	38.8	Very low	59 Å²	59	55.3 Å²	55.3	31%	0.309	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-0.6	177.6	-63.6	166.2	0	0	0	113.7	C910 A912 Y916 L1068	C910-L914 WeakPolarHBondContact O-CD1 3.1Å; C910-L914 WeakPolarHBondContact O-CG 3.38Å; C910-L914 PolarHBondContact O-N 2.96Å; A912-L914 PolarHBondContact O-N 3.4Å; L914-Y916 VanDerWaalsContact C-N 3.34Å; L914-Y916 HydrophobicContact CB-CD2 3.46Å; L914-Y916 VanDerWaalsContact CB-CD2 3.46Å; L914-Y916 HydrophobicContact CB-CE2 3.63Å; L914-Y916 HydrophobicContact CD1-CD2 4.25Å; L914-Y916 HydrophobicContact CD1-CE2 4.26Å; L914-Y916 HydrophobicContact CG-CE2 4.47Å; L914-Y916 PolarHBondContact O-N 3.08Å; L914-L1068 HydrophobicContact CD1-CD1 3.87Å; L914-L1068 HydrophobicContact CD1-CD2 3.42Å; L914-L1068 VanDerWaalsContact CD1-CD2 3.42Å; L914-L1068 HydrophobicContact CD1-CG 4.29Å; L914-L1068 HydrophobicContact CD2-CD2 3.62Å; L914-L1068 HydrophobicContact CG-CD2 4.14Å
915	G	31.4	Very low	39.7	Very low	61 Å²	61	51.6 Å²	51.6	63%	0.629	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	10.9	177.8	0	0	0	0	0	116	A912 S917	A912-G915 PolarHBondContact O-N 3.46Å; G915-S917 VanDerWaalsContact C-N 3.27Å; G915-S917 PolarHBondContact O-N 3.3Å
916	Y	42.5	Very low	40.4	Very low	76 Å²	76	54 Å²	54	30%	0.298	32%	0.32	S	S	.	.			trans	-80.2	68.8	-176.2	-68.6	-65.4	0	0	0	113	A911 L914 E918 L919 I920 V991 L995	A911-Y916 PolarHBondContact O-N 2.92Å; L914-Y916 VanDerWaalsContact C-N 3.34Å; L914-Y916 HydrophobicContact CB-CD2 3.46Å; L914-Y916 VanDerWaalsContact CB-CD2 3.46Å; L914-Y916 HydrophobicContact CB-CE2 3.63Å; L914-Y916 HydrophobicContact CD1-CD2 4.25Å; L914-Y916 HydrophobicContact CD1-CE2 4.26Å; L914-Y916 HydrophobicContact CG-CE2 4.47Å; L914-Y916 PolarHBondContact O-N 3.08Å; Y916-E918 PolarHBondContact O-N 2.83Å; Y916-E918 VanDerWaalsContact O-N 3.17Å; Y916-L919 PolarHBondContact O-N 3.46Å; Y916-I920 PolarHBondContact O-N 3.23Å; Y916-V991 HydrophobicContact CE1-CG1 4.08Å; Y916-L995 HydrophobicContact CD1-CD1 3.9Å; Y916-L995 HydrophobicContact CD2-CD1 3.52Å; Y916-L995 HydrophobicContact CE1-CD1 3.77Å; Y916-L995 HydrophobicContact CE2-CD1 3.38Å; Y916-L995 HydrophobicContact CE2-CD2 3.83Å; Y916-L995 HydrophobicContact CE2-CG 4.25Å; Y916-L995 HydrophobicContact CG-CD1 3.79Å
917	S	44.8	Very low	40.4	Very low	69 Å²	69	54 Å²	54	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-50.5	-36.2	175.9	55	0	0	0	0	113.9	G915 L919 I920 L921	G915-S917 VanDerWaalsContact C-N 3.27Å; G915-S917 PolarHBondContact O-N 3.3Å; S917-L919 VanDerWaalsContact C-N 3.34Å; S917-L919 PolarHBondContact O-N 3.45Å; S917-I920 PolarHBondContact O-N 2.96Å; S917-L921 WeakPolarHBondContact O-CB 3.31Å; S917-L921 WeakPolarHBondContact O-CD1 3.34Å; S917-L921 VanDerWaalsContact O-CG 3.23Å; S917-L921 WeakPolarHBondContact O-CG 3.49Å; S917-L921 PolarHBondContact O-N 3.41Å
918	E	39.6	Very low	40.5	Very low	68 Å²	68	52.8 Å²	52.8	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-53.6	-44.9	173.5	-65.5	-72.2	127	0	0	112.9	R751 Y916 L921 G922 Q989	R751-E918 IonicContact CZ-OE1 2.69Å; R751-E918 VanDerWaalsContact CZ-OE1 3.22Å; R751-E918 IonicContact NH1-OE1 3.8Å; R751-E918 PolarHBondContact NH1-OE1 3.45Å; R751-E918 IonicContact NH2-OE1 2.64Å; R751-E918 PolarHBondContact NH2-OE1 3.17Å; R751-E918 IonicContact NH2-OE2 3.85Å; R751-E918 PolarHBondContact NH2-OE2 3.04Å; Y916-E918 PolarHBondContact O-N 2.83Å; Y916-E918 VanDerWaalsContact O-N 3.17Å; E918-L921 PolarHBondContact O-N 2.94Å; E918-G922 PolarHBondContact O-N 3.1Å; E918-Q989 PolarHBondContact OE2-NE2 3.36Å
919	L	44.7	Very low	40.5	Very low	15 Å²	15	58.2 Å²	58.2	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-71.2	-41.8	-178.7	168	55.6	0	0	0	111.1	A911 Y916 S917 L921 G922 L923 T992	A911-L919 HydrophobicContact CB-CD2 3.57Å; A911-L919 HydrophobicContact CB-CG 4.03Å; Y916-L919 PolarHBondContact O-N 3.46Å; S917-L919 VanDerWaalsContact C-N 3.34Å; S917-L919 PolarHBondContact O-N 3.45Å; L919-L921 VanDerWaalsContact C-N 3.32Å; L919-L921 PolarHBondContact O-N 3.43Å; L919-G922 PolarHBondContact O-N 2.97Å; L919-L923 HydrophobicContact CD1-CD1 3.86Å; L919-L923 HydrophobicContact CD1-CG 4.09Å; L919-L923 HydrophobicContact CG-CD1 4.26Å; L919-L923 WeakPolarHBondContact O-CG 3.42Å; L919-L923 PolarHBondContact O-N 3.47Å; L919-T992 HydrophobicContact CB-CG2 4.01Å; L919-T992 HydrophobicContact CD1-CG2 3.67Å; L919-T992 HydrophobicContact CD2-CG2 4.33Å; L919-T992 HydrophobicContact CG-CG2 4.19Å
920	I	47.6	Very low	40.7	Very low	53 Å²	53	60.2 Å²	60.2	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-41.6	174.9	-67.2	173.3	0	0	0	110.5	L908 A911 A912 Y916 S917 L923 L924	L908-I920 HydrophobicContact CD1-CG1 4.17Å; A911-I920 HydrophobicContact CB-CG1 4.37Å; A912-I920 HydrophobicContact CB-CD1 4.14Å; Y916-I920 PolarHBondContact O-N 3.23Å; S917-I920 PolarHBondContact O-N 2.96Å; I920-L923 PolarHBondContact O-N 3.44Å; I920-L924 HydrophobicContact CG2-CD1 3.9Å; I920-L924 HydrophobicContact CG2-CG 4.47Å; I920-L924 WeakPolarHBondContact O-CB 3.48Å; I920-L924 WeakPolarHBondContact O-CG 3.49Å; I920-L924 PolarHBondContact O-N 3.33Å
921	L	45	Very low	40.7	Very low	50 Å²	50	68.6 Å²	68.6	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-36.1	177.1	-72.1	165.8	0	0	0	112.7	R751 S917 E918 L919 L924 Q925	R751-L921 HydrophobicContact CG-CD1 4.19Å; R751-L921 HydrophobicContact CG-CD2 4.44Å; S917-L921 WeakPolarHBondContact O-CB 3.31Å; S917-L921 WeakPolarHBondContact O-CD1 3.34Å; S917-L921 VanDerWaalsContact O-CG 3.23Å; S917-L921 WeakPolarHBondContact O-CG 3.49Å; S917-L921 PolarHBondContact O-N 3.41Å; E918-L921 PolarHBondContact O-N 2.94Å; L919-L921 VanDerWaalsContact C-N 3.32Å; L919-L921 PolarHBondContact O-N 3.43Å; L921-L924 HydrophobicContact CD2-CD1 4.5Å; L921-Q925 WeakPolarHBondContact O-CB 3.27Å; L921-Q925 WeakPolarHBondContact O-CG 3.38Å; L921-Q925 PolarHBondContact O-N 3.27Å
922	G	43.9	Very low	40.7	Very low	35 Å²	35	71.8 Å²	71.8	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-44.2	171.9	0	0	0	0	0	112.8	E918 L919 Q925 W926	E918-G922 PolarHBondContact O-N 3.1Å; L919-G922 PolarHBondContact O-N 2.97Å; G922-Q925 PolarHBondContact O-N 3.05Å; G922-W926 WeakPolarHBondContact O-CB 3.34Å; G922-W926 PolarHBondContact O-N 2.69Å
923	L	45.8	Very low	40.6	Very low	48 Å²	48	75.7 Å²	75.7	25%	0.251	41%	0.41	S	S	.	.	H	α-helix	trans	-66.7	-38.8	176	-70.7	169.5	0	0	0	112.2	L908 L919 I920 W926 A927 P980	L908-L923 HydrophobicContact CD1-CD1 4.01Å; L919-L923 HydrophobicContact CD1-CD1 3.86Å; L919-L923 HydrophobicContact CD1-CG 4.09Å; L919-L923 HydrophobicContact CG-CD1 4.26Å; L919-L923 WeakPolarHBondContact O-CG 3.42Å; L919-L923 PolarHBondContact O-N 3.47Å; I920-L923 PolarHBondContact O-N 3.44Å; L923-W926 PolarHBondContact O-N 2.75Å; L923-A927 WeakPolarHBondContact O-CB 3.35Å; L923-A927 PolarHBondContact O-N 3.07Å; L923-P980 HydrophobicContact CD2-CB 4.37Å; L923-P980 HydrophobicContact CD2-CG 4.38Å
924	L	43.5	Very low	40.6	Very low	90 Å²	90	79 Å²	79	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-46	171.9	-78.2	166.7	0	0	0	111.6	I920 L921 W926 A927 V928	I920-L924 HydrophobicContact CG2-CD1 3.9Å; I920-L924 HydrophobicContact CG2-CG 4.47Å; I920-L924 WeakPolarHBondContact O-CB 3.48Å; I920-L924 WeakPolarHBondContact O-CG 3.49Å; I920-L924 PolarHBondContact O-N 3.33Å; L921-L924 HydrophobicContact CD2-CD1 4.5Å; L924-W926 VanDerWaalsContact C-N 3.28Å; L924-W926 PolarHBondContact O-N 3.15Å; L924-A927 PolarHBondContact O-N 3.37Å; L924-V928 WeakPolarHBondContact O-CB 3.35Å; L924-V928 WeakPolarHBondContact O-CG2 3.24Å; L924-V928 PolarHBondContact O-N 2.76Å
925	Q	44.9	Very low	40.5	Very low	59 Å²	59	80.4 Å²	80.4	28%	0.276	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-36.7	176.2	-78.1	-177.6	-11.4	0	0	112.5	L921 G922 R929	L921-Q925 WeakPolarHBondContact O-CB 3.27Å; L921-Q925 WeakPolarHBondContact O-CG 3.38Å; L921-Q925 PolarHBondContact O-N 3.27Å; G922-Q925 PolarHBondContact O-N 3.05Å; Q925-R929 WeakPolarHBondContact O-CG 3.39Å; Q925-R929 PolarHBondContact O-N 2.85Å
926	W	45.5	Very low	40.5	Very low	119 Å²	119	83 Å²	83	45%	0.451	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-49.2	173.8	-178.4	90.6	0	0	0	111.8	G922 L923 L924 V928 R929 I930	G922-W926 WeakPolarHBondContact O-CB 3.34Å; G922-W926 PolarHBondContact O-N 2.69Å; L923-W926 PolarHBondContact O-N 2.75Å; L924-W926 VanDerWaalsContact C-N 3.28Å; L924-W926 PolarHBondContact O-N 3.15Å; W926-V928 PolarHBondContact O-N 2.64Å; W926-R929 PolarHBondContact O-N 3.03Å; W926-I930 HydrophobicContact CD2-CD1 3.84Å; W926-I930 HydrophobicContact CE3-CD1 3.85Å; W926-I930 HydrophobicContact CH2-CD1 3.64Å; W926-I930 HydrophobicContact CZ2-CD1 3.63Å; W926-I930 HydrophobicContact CZ3-CD1 3.75Å; W926-I930 PolarHBondContact O-N 3.19Å
927	A	40.4	Very low	39.8	Very low	41 Å²	41	83.2 Å²	83.2	34%	0.339	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-40.3	177.1	0	0	0	0	0	112.7	L923 L924 I930 Y931	L923-A927 WeakPolarHBondContact O-CB 3.35Å; L923-A927 PolarHBondContact O-N 3.07Å; L924-A927 PolarHBondContact O-N 3.37Å; A927-I930 PolarHBondContact O-N 3.15Å; A927-Y931 PolarHBondContact O-N 2.89Å
928	V	39	Very low	39	Very low	30 Å²	30	88.5 Å²	88.5	18%	0.182	45%	0.454	C	S	.	.	H	α-helix	trans	-65.9	-39.1	176.6	170.3	0	0	0	0	111.6	F758 L924 W926 I930 Y931 C932	F758-V928 HydrophobicContact CE2-CG2 3.54Å; F758-V928 HydrophobicContact CZ-CG2 3.81Å; L924-V928 WeakPolarHBondContact O-CB 3.35Å; L924-V928 WeakPolarHBondContact O-CG2 3.24Å; L924-V928 PolarHBondContact O-N 2.76Å; W926-V928 PolarHBondContact O-N 2.64Å; V928-I930 VanDerWaalsContact C-N 3.3Å; V928-I930 PolarHBondContact O-N 3.33Å; V928-Y931 PolarHBondContact O-N 3.28Å; V928-C932 VanDerWaalsContact O-CB 3.27Å; V928-C932 WeakPolarHBondContact O-CB 3.41Å; V928-C932 PolarHBondContact O-N 2.76Å; V928-C932 PolarHBondContact O-SG 2.66Å; V928-C932 VanDerWaalsContact O-SG 3.33Å
929	R	40.1	Very low	38.3	Very low	169 Å²	169	92 Å²	92	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-37.3	173.3	-78.7	-176.6	-176.6	-171.6	8.7	112.7	Q925 W926 Y987	Q925-R929 WeakPolarHBondContact O-CG 3.39Å; Q925-R929 PolarHBondContact O-N 2.85Å; W926-R929 PolarHBondContact O-N 3.03Å; R929-Y987 VanDerWaalsContact CZ-OH 3.24Å; R929-Y987 PolarHBondContact NH1-OH 2.96Å; R929-Y987 PolarHBondContact NH2-OH 3.16Å
930	I	43	Very low	37.5	Very low	97 Å²	97	95.5 Å²	95.5	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-68.9	-38.7	175.9	-67.5	169.8	0	0	0	111.4	W926 A927 V928	W926-I930 HydrophobicContact CD2-CD1 3.84Å; W926-I930 HydrophobicContact CE3-CD1 3.85Å; W926-I930 HydrophobicContact CH2-CD1 3.64Å; W926-I930 HydrophobicContact CZ2-CD1 3.63Å; W926-I930 HydrophobicContact CZ3-CD1 3.75Å; W926-I930 PolarHBondContact O-N 3.19Å; A927-I930 PolarHBondContact O-N 3.15Å; V928-I930 VanDerWaalsContact C-N 3.3Å; V928-I930 PolarHBondContact O-N 3.33Å
931	Y	35.1	Very low	36.4	Very low	183 Å²	183	99.1 Å²	99.1	72%	0.718	51%	0.511	S	S	*	.	H	α-helix	trans	-80.1	-28.4	-177.7	-106.3	-88.1	0	0	0	115	A927 V928	A927-Y931 PolarHBondContact O-N 2.89Å; V928-Y931 PolarHBondContact O-N 3.28Å
932	C	35.2	Very low	35.5	Very low	71 Å²	71	105.7 Å²	105.7	48%	0.48	54%	0.54	S	S	.	.	H	α-helix	trans	-88.1	-13	-165.4	-75.3	0	0	0	0	116.8	V928 Q934	V928-C932 VanDerWaalsContact O-CB 3.27Å; V928-C932 WeakPolarHBondContact O-CB 3.41Å; V928-C932 PolarHBondContact O-N 2.76Å; V928-C932 PolarHBondContact O-SG 2.66Å; V928-C932 VanDerWaalsContact O-SG 3.33Å; C932-Q934 VanDerWaalsContact C-N 3.26Å; C932-Q934 VanDerWaalsContact O-CG 3.28Å; C932-Q934 WeakPolarHBondContact O-CG 3.4Å; C932-Q934 PolarHBondContact O-N 3.29Å
933	N	35.3	Very low	34.6	Very low	111 Å²	111	109.5 Å²	109.5	59%	0.594	56%	0.56	S	S	*	*			trans	43.6	41.6	171.7	-76.9	-24.4	0	0	0	116
934	Q	31.3	Very low	33.6	Very low	155 Å²	155	115 Å²	115	72%	0.724	59%	0.589	S	S	*	*			trans	-129.4	123.1	-177.5	-76.2	-79.4	-57.8	0	0	110.4	C932	C932-Q934 VanDerWaalsContact C-N 3.26Å; C932-Q934 VanDerWaalsContact O-CG 3.28Å; C932-Q934 WeakPolarHBondContact O-CG 3.4Å; C932-Q934 PolarHBondContact O-N 3.29Å
935	P	30.9	Very low	32.9	Very low	89 Å²	89	116.7 Å²	116.7	58%	0.578	60%	0.603	S	S	*	*			trans	-73.9	131.5	178.7	30.6	-33.6	0	0	0	110.8	T966	P935-T966 HydrophobicContact CB-CG2 4.25Å
936	T	32.1	Very low	32.1	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	63%	0.63	S	S	*	*			trans	-133.5	106.9	171.7	40.3	0	0	0	0	110	F938	T936-F938 PolarHBondContact O-N 3.21Å
937	S	27.6	Very low	31.3	Very low	81 Å²	81	121.7 Å²	121.7	57%	0.566	65%	0.646	S	S	*	*			trans	-70.3	93.9	179.7	54.4	0	0	0	0	110.8
938	F	29.3	Very low	30.6	Very low	180 Å²	180	128 Å²	128	79%	0.789	67%	0.668	S	S	*	*			trans	-104.9	1.3	175.8	-114.1	-84.7	0	0	0	113.9	T936	T936-F938 PolarHBondContact O-N 3.21Å
939	F	25	Very low	30.5	Very low	143 Å²	143	130 Å²	130	63%	0.627	68%	0.683	S	S	*	*	S	Bend	trans	-128.4	44.7	-179	-74.2	-73.4	0	0	0	112.5	L959	F939-L959 HydrophobicContact CD1-CD1 3.74Å; F939-L959 HydrophobicContact CD1-CD2 3.93Å; F939-L959 HydrophobicContact CD1-CG 4.37Å; F939-L959 HydrophobicContact CD2-CD2 3.93Å; F939-L959 HydrophobicContact CE1-CD1 3.99Å; F939-L959 HydrophobicContact CE1-CD2 3.77Å; F939-L959 HydrophobicContact CE2-CD2 3.77Å; F939-L959 HydrophobicContact CG-CD1 4.28Å; F939-L959 HydrophobicContact CG-CD2 4Å; F939-L959 HydrophobicContact CZ-CD2 3.69Å
940	T	26.9	Very low	30.3	Very low	88 Å²	88	128.1 Å²	128.1	54%	0.54	69%	0.686	S	S	.	*			trans	-136.7	88	169	53.5	0	0	0	0	109.8
941	D	24.7	Very low	30.1	Very low	128 Å²	128	126.7 Å²	126.7	68%	0.684	68%	0.681	S	S	*	*	S	Bend	trans	-176	123.4	145.5	-95.1	-19.5	0	0	0	109.2
942	H	26.8	Very low	30.2	Very low	189 Å²	189	121.5 Å²	121.5	88%	0.875	67%	0.666	S	S	*	*			trans	94.9	80.3	-173.2	-57.2	-26.5	0	0	0	117
943	C	24.8	Very low	30.7	Very low	115 Å²	115	120.4 Å²	120.4	78%	0.777	66%	0.655	S	S	*	*			trans	-134.2	31.6	155.4	-146.7	0	0	0	0	111.9	T945	C943-T945 PolarHBondContact O-N 3.08Å
944	D	24.4	Very low	30.9	Very low	163 Å²	163	117.2 Å²	117.2	87%	0.872	64%	0.638	S	S	*	*			trans	-98.5	48.8	178.9	-75.7	-52.8	0	0	0	112.2
945	T	28.9	Very low	31.6	Very low	125 Å²	125	112.1 Å²	112.1	77%	0.767	62%	0.616	S	S	*	*	S	Bend	trans	-134.9	123.2	167.5	48.5	0	0	0	0	110.8	C943	C943-T945 PolarHBondContact O-N 3.08Å
946	T	27.6	Very low	32.1	Very low	137 Å²	137	110.2 Å²	110.2	84%	0.84	60%	0.604	S	S	*	*			trans	-26.6	123.5	175.6	49.1	0	0	0	0	116.1	Q948	T946-Q948 PolarHBondContact O-N 2.88Å
947	L	28.1	Very low	32.5	Very low	147 Å²	147	110.2 Å²	110.2	77%	0.77	59%	0.591	S	S	*	*			trans	-46.2	118.5	174	-76.9	157.3	0	0	0	113.7	I953	L947-I953 HydrophobicContact CD2-CD1 4.39Å
948	Q	27.5	Very low	33.4	Very low	173 Å²	173	106.5 Å²	106.5	81%	0.808	57%	0.565	S	S	*	*			trans	-149.8	117.7	163.4	-151.8	76.9	61.3	0	0	110.2	T946	T946-Q948 PolarHBondContact O-N 2.88Å
949	S	35.3	Very low	34.3	Very low	72 Å²	72	99.7 Å²	99.7	50%	0.503	54%	0.537	S	S	.	.			trans	81.7	141.6	-173.2	86.7	0	0	0	0	116.7	V951	S949-V951 VanDerWaalsContact C-N 3.33Å; S949-V951 PolarHBondContact O-N 3.48Å
950	D	36.2	Very low	35	Very low	129 Å²	129	95.6 Å²	95.6	69%	0.69	53%	0.526	S	S	*	.	S	Bend	trans	-75.2	-16.2	-173.5	-60.3	-80.6	0	0	0	114.3	I953	D950-I953 WeakPolarHBondContact O-CB 3Å; D950-I953 PolarHBondContact O-N 3.35Å
951	V	38.8	Very low	35.8	Very low	67 Å²	67	93.9 Å²	93.9	41%	0.406	51%	0.513	S	S	.	.	H	α-helix	trans	-70.1	-37	-170.4	-176.4	0	0	0	0	112.8	S949 I953 D954 L955	S949-V951 VanDerWaalsContact C-N 3.33Å; S949-V951 PolarHBondContact O-N 3.48Å; V951-I953 PolarHBondContact O-N 3.33Å; V951-D954 PolarHBondContact O-N 3.35Å; V951-D954 VanDerWaalsContact O-N 3.12Å; V951-L955 PolarHBondContact O-N 2.83Å
952	D	38.4	Very low	36.7	Very low	74 Å²	74	90.8 Å²	90.8	40%	0.396	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-20.6	178.4	-66.2	-74.2	0	0	0	112.8	D954 S956 K1033	D952-D954 VanDerWaalsContact C-N 3.32Å; D952-S956 WeakPolarHBondContact O-CB 3.1Å; D952-S956 PolarHBondContact O-N 2.92Å; D952-S956 PolarHBondContact O-OG 2.84Å; D952-K1033 IonicContact OD1-NZ 2.99Å; D952-K1033 PolarHBondContact OD1-NZ 3.12Å; D952-K1033 IonicContact OD2-NZ 3.02Å; D952-K1033 PolarHBondContact OD2-NZ 3.44Å
953	I	44	Very low	37.2	Very low	48 Å²	48	85.5 Å²	85.5	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-69.4	-33.3	174.1	-46.9	-178.4	0	0	0	110.2	L947 D950 V951 S956 R957	L947-I953 HydrophobicContact CD2-CD1 4.39Å; D950-I953 WeakPolarHBondContact O-CB 3Å; D950-I953 PolarHBondContact O-N 3.35Å; V951-I953 PolarHBondContact O-N 3.33Å; I953-S956 WeakPolarHBondContact CA-OG 3.48Å; I953-S956 PolarHBondContact O-OG 2.89Å; I953-S956 VanDerWaalsContact O-OG 3.04Å; I953-R957 VanDerWaalsContact O-CB 3.29Å; I953-R957 WeakPolarHBondContact O-CB 3.46Å; I953-R957 WeakPolarHBondContact O-CD 3.44Å; I953-R957 WeakPolarHBondContact O-CG 3.47Å; I953-R957 PolarHBondContact O-N 3Å
954	D	41.3	Very low	37.7	Very low	45 Å²	45	85.6 Å²	85.6	24%	0.241	47%	0.465	C	S	.	.	H	α-helix	trans	-84.5	-33.9	-177.1	-69.6	-18.8	0	0	0	112.9	V951 D952 R957 I958 L1019	V951-D954 PolarHBondContact O-N 3.35Å; V951-D954 VanDerWaalsContact O-N 3.12Å; D952-D954 VanDerWaalsContact C-N 3.32Å; D954-R957 PolarHBondContact O-N 3.48Å; D954-R957 IonicContact OD1-CZ 2.78Å; D954-R957 IonicContact OD1-NH1 2.69Å; D954-R957 PolarHBondContact OD1-NH1 3.46Å; D954-I958 WeakPolarHBondContact O-CG1 3.48Å; D954-I958 PolarHBondContact O-N 2.86Å; D954-L1019 HydrophobicContact CB-CD2 4.43Å
955	L	45.9	Very low	38	Very low	48 Å²	48	81.3 Å²	81.3	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-45.8	169.4	-176.4	63.6	0	0	0	111.2	V951 R957 I958 L959 I1031 M1032	V951-L955 PolarHBondContact O-N 2.83Å; L955-R957 PolarHBondContact O-N 2.91Å; L955-I958 PolarHBondContact O-N 3.17Å; L955-L959 HydrophobicContact CG-CD1 4.42Å; L955-L959 WeakPolarHBondContact O-CG 3.48Å; L955-L959 PolarHBondContact O-N 3.38Å; L955-I1031 HydrophobicContact CB-CG2 3.85Å; L955-I1031 HydrophobicContact CD1-CG2 4.21Å; L955-M1032 HydrophobicContact CD1-CG 4.3Å
956	S	39.7	Very low	38.1	Very low	49 Å²	49	78 Å²	78	34%	0.343	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-38.2	175.6	53.9	0	0	0	0	112.2	D952 I953 L959 S960	D952-S956 WeakPolarHBondContact O-CB 3.1Å; D952-S956 PolarHBondContact O-N 2.92Å; D952-S956 PolarHBondContact O-OG 2.84Å; I953-S956 WeakPolarHBondContact CA-OG 3.48Å; I953-S956 PolarHBondContact O-OG 2.89Å; I953-S956 VanDerWaalsContact O-OG 3.04Å; S956-L959 PolarHBondContact O-N 3.05Å; S956-S960 PolarHBondContact O-N 3.31Å; S956-S960 PolarHBondContact O-OG 3.05Å; S956-S960 VanDerWaalsContact O-OG 3.1Å
957	R	42	Very low	38.3	Very low	113 Å²	113	75.6 Å²	75.6	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-37.7	172.1	-78.1	166.6	178	152	1.9	114	I953 D954 L955 L959 S960 L961	I953-R957 VanDerWaalsContact O-CB 3.29Å; I953-R957 WeakPolarHBondContact O-CB 3.46Å; I953-R957 WeakPolarHBondContact O-CD 3.44Å; I953-R957 WeakPolarHBondContact O-CG 3.47Å; I953-R957 PolarHBondContact O-N 3Å; D954-R957 PolarHBondContact O-N 3.48Å; D954-R957 IonicContact OD1-CZ 2.78Å; D954-R957 IonicContact OD1-NH1 2.69Å; D954-R957 PolarHBondContact OD1-NH1 3.46Å; L955-R957 PolarHBondContact O-N 2.91Å; R957-L959 VanDerWaalsContact C-N 3.31Å; R957-S960 PolarHBondContact O-N 3.44Å; R957-L961 WeakPolarHBondContact O-CB 3.49Å; R957-L961 WeakPolarHBondContact O-CG 3.25Å; R957-L961 PolarHBondContact O-N 3.37Å
958	I	46.4	Very low	38.3	Very low	3 Å²	3	75 Å²	75	2%	0.015	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-42	174.6	-73.6	170.8	0	0	0	109.8	D954 L955 L961 L962 L1009 F1023 I1031	D954-I958 WeakPolarHBondContact O-CG1 3.48Å; D954-I958 PolarHBondContact O-N 2.86Å; L955-I958 PolarHBondContact O-N 3.17Å; I958-L961 PolarHBondContact O-N 3.24Å; I958-L962 HydrophobicContact CG2-CD1 4.25Å; I958-L962 WeakPolarHBondContact O-CG 3.5Å; I958-L962 PolarHBondContact O-N 3.48Å; I958-L962 VanDerWaalsContact O-N 3.09Å; I958-L1009 HydrophobicContact CD1-CD2 4.5Å; I958-L1009 HydrophobicContact CG1-CD2 4.49Å; I958-L1009 HydrophobicContact CG2-CD2 3.9Å; I958-F1023 HydrophobicContact CD1-CD2 4.37Å; I958-F1023 HydrophobicContact CD1-CE1 4.35Å; I958-F1023 HydrophobicContact CD1-CE2 3.92Å; I958-F1023 HydrophobicContact CD1-CZ 3.9Å; I958-F1023 HydrophobicContact CG1-CE2 4.16Å; I958-F1023 HydrophobicContact CG1-CZ 4.32Å; I958-I1031 HydrophobicContact CD1-CD1 4.14Å; I958-I1031 HydrophobicContact CD1-CG2 4.01Å
959	L	47.3	Very low	38.4	Very low	37 Å²	37	74.6 Å²	74.6	19%	0.194	41%	0.409	C	S	.	.	H	α-helix	trans	-64.9	-38.6	174.1	-65.1	171	0	0	0	111.9	F939 L955 S956 R957 L962 H963	F939-L959 HydrophobicContact CD1-CD1 3.74Å; F939-L959 HydrophobicContact CD1-CD2 3.93Å; F939-L959 HydrophobicContact CD1-CG 4.37Å; F939-L959 HydrophobicContact CD2-CD2 3.93Å; F939-L959 HydrophobicContact CE1-CD1 3.99Å; F939-L959 HydrophobicContact CE1-CD2 3.77Å; F939-L959 HydrophobicContact CE2-CD2 3.77Å; F939-L959 HydrophobicContact CG-CD1 4.28Å; F939-L959 HydrophobicContact CG-CD2 4Å; F939-L959 HydrophobicContact CZ-CD2 3.69Å; L955-L959 HydrophobicContact CG-CD1 4.42Å; L955-L959 WeakPolarHBondContact O-CG 3.48Å; L955-L959 PolarHBondContact O-N 3.38Å; S956-L959 PolarHBondContact O-N 3.05Å; R957-L959 VanDerWaalsContact C-N 3.31Å; L959-L962 PolarHBondContact O-N 2.99Å; L959-H963 WeakPolarHBondContact O-CB 3.49Å; L959-H963 PolarHBondContact O-N 2.98Å
960	S	41	Very low	38.2	Very low	58 Å²	58	74.9 Å²	74.9	41%	0.406	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-42	171.6	-61.6	0	0	0	0	112.9	S956 R957 L962 H963 D964	S956-S960 PolarHBondContact O-N 3.31Å; S956-S960 PolarHBondContact O-OG 3.05Å; S956-S960 VanDerWaalsContact O-OG 3.1Å; R957-S960 PolarHBondContact O-N 3.44Å; S960-L962 PolarHBondContact O-N 3.1Å; S960-H963 CarbonylContact O-C 3.5Å; S960-H963 WeakPolarHBondContact O-CA 3.38Å; S960-H963 WeakPolarHBondContact O-CB 3.47Å; S960-H963 PolarHBondContact O-N 2.91Å; S960-D964 PolarHBondContact O-N 3.24Å
961	L	43.1	Very low	37.8	Very low	51 Å²	51	76.1 Å²	76.1	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-26.8	176.5	-77.2	165.4	0	0	0	112.6	R957 I958	R957-L961 WeakPolarHBondContact O-CB 3.49Å; R957-L961 WeakPolarHBondContact O-CG 3.25Å; R957-L961 PolarHBondContact O-N 3.37Å; I958-L961 PolarHBondContact O-N 3.24Å
962	L	43.2	Very low	37.4	Very low	63 Å²	63	77.9 Å²	77.9	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-83.1	-16.4	170.8	-67.2	168.4	0	0	0	112.9	I958 L959 S960 L986	I958-L962 HydrophobicContact CG2-CD1 4.25Å; I958-L962 WeakPolarHBondContact O-CG 3.5Å; I958-L962 PolarHBondContact O-N 3.48Å; I958-L962 VanDerWaalsContact O-N 3.09Å; L959-L962 PolarHBondContact O-N 2.99Å; S960-L962 PolarHBondContact O-N 3.1Å; L962-L986 HydrophobicContact CD1-CD2 4.35Å
963	H	36.8	Very low	37.1	Very low	78 Å²	78	79.2 Å²	79.2	36%	0.361	45%	0.445	S	S	.	.	H	α-helix	trans	-96.9	-34.8	-178.3	-171.7	-83.1	0	0	0	113.2	L959 S960 L965	L959-H963 WeakPolarHBondContact O-CB 3.49Å; L959-H963 PolarHBondContact O-N 2.98Å; S960-H963 CarbonylContact O-C 3.5Å; S960-H963 WeakPolarHBondContact O-CA 3.38Å; S960-H963 WeakPolarHBondContact O-CB 3.47Å; S960-H963 PolarHBondContact O-N 2.91Å; H963-L965 PolarHBondContact O-N 3.33Å
964	D	35.2	Very low	36.5	Very low	118 Å²	118	81.9 Å²	81.9	63%	0.631	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-0.1	178.3	-76.1	-14.8	0	0	0	113.5	S960 T966	S960-D964 PolarHBondContact O-N 3.24Å; D964-T966 PolarHBondContact O-N 2.96Å
965	L	32	Very low	36.5	Very low	73 Å²	73	86.7 Å²	86.7	38%	0.382	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	16.9	170.8	-54.6	-180	0	0	0	113.5	H963 Y975 P976	H963-L965 PolarHBondContact O-N 3.33Å; L965-Y975 HydrophobicContact CD1-CD1 4.26Å; L965-Y975 HydrophobicContact CD2-CD1 3.97Å; L965-Y975 HydrophobicContact CD2-CE1 4.46Å; L965-P976 HydrophobicContact CD1-CG 4.03Å; L965-P976 HydrophobicContact CD2-CG 4.37Å
966	T	31.2	Very low	36.5	Very low	54 Å²	54	85.5 Å²	85.5	33%	0.331	48%	0.475	S	S	.	.			trans	-62.1	126.4	168.5	54	0	0	0	0	110.7	P935 D964 N968	P935-T966 HydrophobicContact CB-CG2 4.25Å; D964-T966 PolarHBondContact O-N 2.96Å; T966-N968 PolarHBondContact O-N 3.43Å
967	P	30.2	Very low	37.2	Very low	87 Å²	87	88.4 Å²	88.4	57%	0.565	49%	0.485	S	S	*	.			trans	-79.2	58.5	-172.4	32.4	-37.1	0	0	0	113.6	N969	P967-N969 PolarHBondContact O-N 3.47Å; P967-N969 VanDerWaalsContact O-N 3.1Å
968	N	28.9	Very low	38	Very low	134 Å²	134	84.1 Å²	84.1	72%	0.717	47%	0.471	S	S	*	.			trans	-83	79.3	174.2	-79.1	-32.2	0	0	0	111.5	T966 S970	T966-N968 PolarHBondContact O-N 3.43Å; N968-S970 PolarHBondContact O-N 2.99Å
969	N	30.4	Very low	38.7	Very low	166 Å²	166	85.5 Å²	85.5	89%	0.888	48%	0.479	S	S	*	.	S	Bend	trans	52.4	59.2	158.3	-64.5	-25.6	0	0	0	117.6	P967	P967-N969 PolarHBondContact O-N 3.47Å; P967-N969 VanDerWaalsContact O-N 3.1Å
970	S	29.6	Very low	39.1	Very low	77 Å²	77	86.6 Å²	86.6	54%	0.538	49%	0.488	S	S	.	.			trans	-144.4	121.3	156.8	57.8	0	0	0	0	112.8	N968 S972 L973	N968-S970 PolarHBondContact O-N 2.99Å; S970-S972 PolarHBondContact O-N 3.46Å; S970-S972 VanDerWaalsContact O-N 3.07Å; S970-L973 WeakPolarHBondContact OG-CD1 3.21Å
971	T	29	Very low	40.4	Very low	155 Å²	155	84.2 Å²	84.2	95%	0.951	47%	0.471	S	S	*	.	S	Bend	trans	-85.6	42.8	-176.2	54.1	0	0	0	0	112.9
972	S	29.8	Very low	41.6	Very low	104 Å²	104	81.8 Å²	81.8	73%	0.727	46%	0.459	S	S	*	.			trans	-168.8	68.5	173.2	63.1	0	0	0	0	113.3	S970	S970-S972 PolarHBondContact O-N 3.46Å; S970-S972 VanDerWaalsContact O-N 3.07Å
973	L	31.3	Very low	42.5	Very low	103 Å²	103	79.7 Å²	79.7	54%	0.539	45%	0.449	S	S	.	.			trans	-126.7	131.2	158.5	-88.4	95	0	0	0	110.8	S970 L1013	S970-L973 WeakPolarHBondContact OG-CD1 3.21Å; L973-L1013 HydrophobicContact CD2-CD1 4.3Å
974	T	32.6	Very low	43.7	Very low	103 Å²	103	76.3 Å²	76.3	63%	0.632	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-74.1	137.5	165	31.4	0	0	0	0	109.2	S1012	T974-S1012 WeakPolarHBondContact O-CB 3.29Å; T974-S1012 PolarHBondContact O-OG 3.1Å
975	Y	40.3	Very low	45.2	Very low	146 Å²	146	70.7 Å²	70.7	57%	0.573	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-82	149.9	178.8	-64.3	-88.1	0	0	0	111.3	L965 I977	L965-Y975 HydrophobicContact CD1-CD1 4.26Å; L965-Y975 HydrophobicContact CD2-CD1 3.97Å; L965-Y975 HydrophobicContact CD2-CE1 4.46Å; Y975-I977 PolarHBondContact O-N 2.72Å
976	P	46.9	Very low	46.9	Very low	24 Å²	24	69 Å²	69	16%	0.156	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-65.8	132	169.6	28.4	-33.8	0	0	0	109.9	L965 L1009 Y1010	L965-P976 HydrophobicContact CD1-CG 4.03Å; L965-P976 HydrophobicContact CD2-CG 4.37Å; P976-L1009 HydrophobicContact CB-CD1 4.49Å; P976-Y1010 CarbonylContact C-O 3.52Å; P976-Y1010 WeakPolarHBondContact CA-O 2.97Å; P976-Y1010 VanDerWaalsContact CB-O 3.27Å; P976-Y1010 WeakPolarHBondContact CB-O 3.32Å
977	I	53.3	Low	48.3	Very low	109 Å²	109	71.8 Å²	71.8	56%	0.559	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	110.3	-175.3	-54.7	177	0	0	0	108.7	Y975 Y1010	Y975-I977 PolarHBondContact O-N 2.72Å; I977-Y1010 HydrophobicContact CB-CD2 4.23Å; I977-Y1010 HydrophobicContact CG2-CD2 4.49Å; I977-Y1010 PolarHBondContact N-O 3.41Å; I977-Y1010 WeakPolarHBondContact O-CD2 3.35Å; I977-Y1010 PolarHBondContact O-N 3.04Å
978	L	59.1	Low	50.1	Low	23 Å²	23	72.4 Å²	72.4	12%	0.12	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.1	170.4	-173.6	71.2	0	0	0	108.8	S983 L986 L1009	L978-S983 WeakPolarHBondContact CD2-OG 3.43Å; L978-L986 HydrophobicContact CD2-CD2 3.93Å; L978-L1009 HydrophobicContact CB-CD1 4.46Å; L978-L1009 HydrophobicContact CD1-CB 4.1Å; L978-L1009 HydrophobicContact CD1-CD1 4.08Å
979	T	62.6	Low	51.6	Low	33 Å²	33	68.8 Å²	68.8	20%	0.202	38%	0.375	C	S	.	.			trans	-75.7	165.6	179.6	72	0	0	0	0	111.3	L981 G982 S983 C1008 Y1010	T979-L981 PolarHBondContact O-N 3.28Å; T979-L981 PolarHBondContact OG1-N 3.48Å; T979-G982 PolarHBondContact O-N 3.37Å; T979-G982 PolarHBondContact OG1-N 3.36Å; T979-G982 VanDerWaalsContact OG1-N 3.07Å; T979-S983 WeakPolarHBondContact O-CB 3.39Å; T979-S983 PolarHBondContact O-N 2.84Å; T979-S983 PolarHBondContact O-OG 3.49Å; T979-C1008 PolarHBondContact N-O 3.33Å; T979-C1008 WeakPolarHBondContact OG1-CA 3.33Å; T979-C1008 PolarHBondContact OG1-O 3.01Å; T979-Y1010 HydrophobicContact CG2-CD2 4.46Å; T979-Y1010 HydrophobicContact CG2-CE2 3.99Å
980	P	53.7	Low	53.4	Low	59 Å²	59	63.1 Å²	63.1	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-35.4	172.5	-27.3	36.5	0	0	0	113	L923 S983 A984 L996	L923-P980 HydrophobicContact CD2-CB 4.37Å; L923-P980 HydrophobicContact CD2-CG 4.38Å; P980-S983 PolarHBondContact O-N 3.2Å; P980-A984 PolarHBondContact O-N 3.28Å; P980-L996 HydrophobicContact CB-CD1 4.37Å
981	L	68.8	Low	54.5	Low	9 Å²	9	63.3 Å²	63.3	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-70.4	-44.2	175.4	-178.4	59.5	0	0	0	111.7	T979 S983 A984 I985 T993 L996 V997 A1003 P1025	T979-L981 PolarHBondContact O-N 3.28Å; T979-L981 PolarHBondContact OG1-N 3.48Å; L981-S983 PolarHBondContact O-N 3.07Å; L981-A984 PolarHBondContact O-N 3.01Å; L981-I985 HydrophobicContact CD1-CD1 4.09Å; L981-I985 HydrophobicContact CD1-CG1 4.46Å; L981-I985 HydrophobicContact CG-CD1 3.96Å; L981-I985 VanDerWaalsContact O-CG1 3.3Å; L981-I985 WeakPolarHBondContact O-CG1 3.2Å; L981-I985 PolarHBondContact O-N 3.41Å; L981-T993 HydrophobicContact CD1-CG2 3.89Å; L981-L996 HydrophobicContact CB-CD1 4.41Å; L981-L996 HydrophobicContact CD1-CB 4.14Å; L981-L996 HydrophobicContact CD1-CD1 4.41Å; L981-V997 HydrophobicContact CD1-CG2 3.87Å; L981-V997 HydrophobicContact CD2-CG2 4.06Å; L981-A1003 HydrophobicContact CD2-CB 3.66Å; L981-A1003 WeakPolarHBondContact CD2-O 3.43Å; L981-P1025 HydrophobicContact CD2-CG 3.77Å; L981-P1025 HydrophobicContact CG-CG 4.3Å
982	G	69.1	Low	55.9	Low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-36.8	173.6	0	0	0	0	0	112.2	T979 I985 L986	T979-G982 PolarHBondContact O-N 3.37Å; T979-G982 PolarHBondContact OG1-N 3.36Å; T979-G982 VanDerWaalsContact OG1-N 3.07Å; G982-I985 PolarHBondContact O-N 3Å; G982-L986 VanDerWaalsContact O-CB 3.27Å; G982-L986 WeakPolarHBondContact O-CB 3.4Å; G982-L986 PolarHBondContact O-N 3.16Å
983	S	61.7	Low	57.8	Low	19 Å²	19	51.4 Å²	51.4	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-45.7	174.4	-55.4	0	0	0	0	112.1	L978 T979 P980 L981 I985 L986 Y987	L978-S983 WeakPolarHBondContact CD2-OG 3.43Å; T979-S983 WeakPolarHBondContact O-CB 3.39Å; T979-S983 PolarHBondContact O-N 2.84Å; T979-S983 PolarHBondContact O-OG 3.49Å; P980-S983 PolarHBondContact O-N 3.2Å; L981-S983 PolarHBondContact O-N 3.07Å; S983-I985 VanDerWaalsContact C-N 3.3Å; S983-I985 PolarHBondContact O-N 3.19Å; S983-L986 PolarHBondContact O-N 3.46Å; S983-Y987 WeakPolarHBondContact O-CD2 3.27Å; S983-Y987 PolarHBondContact O-N 3.12Å; S983-Y987 VanDerWaalsContact O-N 3.17Å
984	A	61.5	Low	59.6	Low	7 Å²	7	48.8 Å²	48.8	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-37.6	176.8	0	0	0	0	0	112.2	P980 L981 E988 Q989 T992 L996	P980-A984 PolarHBondContact O-N 3.28Å; L981-A984 PolarHBondContact O-N 3.01Å; A984-E988 PolarHBondContact O-N 3.24Å; A984-Q989 HydrophobicContact CB-CB 4.46Å; A984-Q989 PolarHBondContact O-N 3.23Å; A984-T992 HydrophobicContact CB-CG2 3.95Å; A984-L996 HydrophobicContact CB-CD1 3.88Å
985	I	68	Low	60.9	Low	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-48.2	174.6	-70	165.1	0	0	0	110.9	L981 G982 S983 Y987 E988 T993 P1025 L1028 A1029 M1032 M1037 I1041	L981-I985 HydrophobicContact CD1-CD1 4.09Å; L981-I985 HydrophobicContact CD1-CG1 4.46Å; L981-I985 HydrophobicContact CG-CD1 3.96Å; L981-I985 VanDerWaalsContact O-CG1 3.3Å; L981-I985 WeakPolarHBondContact O-CG1 3.2Å; L981-I985 PolarHBondContact O-N 3.41Å; G982-I985 PolarHBondContact O-N 3Å; S983-I985 VanDerWaalsContact C-N 3.3Å; S983-I985 PolarHBondContact O-N 3.19Å; I985-Y987 PolarHBondContact O-N 3.27Å; I985-E988 PolarHBondContact O-N 3.4Å; I985-T993 HydrophobicContact CG1-CG2 4.14Å; I985-P1025 HydrophobicContact CD1-CB 3.51Å; I985-P1025 HydrophobicContact CD1-CG 4.13Å; I985-L1028 HydrophobicContact CB-CD2 4.18Å; I985-L1028 HydrophobicContact CG2-CB 4.27Å; I985-L1028 HydrophobicContact CG2-CD2 3.75Å; I985-L1028 HydrophobicContact CG2-CG 3.9Å; I985-A1029 HydrophobicContact CG2-CB 4.33Å; I985-M1032 HydrophobicContact CG2-SD 4.14Å; I985-M1032 WeakPolarHBondContact O-CE 3.33Å; I985-M1037 HydrophobicContact CG1-CG 4.3Å; I985-M1037 HydrophobicContact CG1-SD 4.12Å; I985-M1037 HydrophobicContact CG2-CG 4.05Å; I985-I1041 HydrophobicContact CD1-CD1 3.96Å; I985-I1041 HydrophobicContact CG1-CD1 4.34Å
986	L	66.7	Low	62	Low	36 Å²	36	38 Å²	38	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-27.2	-179.1	-170.7	65.3	0	0	0	113.8	L962 L978 G982 S983 M1032	L962-L986 HydrophobicContact CD1-CD2 4.35Å; L978-L986 HydrophobicContact CD2-CD2 3.93Å; G982-L986 VanDerWaalsContact O-CB 3.27Å; G982-L986 WeakPolarHBondContact O-CB 3.4Å; G982-L986 PolarHBondContact O-N 3.16Å; S983-L986 PolarHBondContact O-N 3.46Å; L986-M1032 HydrophobicContact CD1-SD 4.17Å; L986-M1032 WeakPolarHBondContact O-CE 3.35Å
987	Y	61.2	Low	63.3	Low	114 Å²	114	36.8 Å²	36.8	45%	0.447	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15.9	175.5	-63.8	-62.9	0	0	0	114.2	R929 S983 I985 Q989	R929-Y987 VanDerWaalsContact CZ-OH 3.24Å; R929-Y987 PolarHBondContact NH1-OH 2.96Å; R929-Y987 PolarHBondContact NH2-OH 3.16Å; S983-Y987 WeakPolarHBondContact O-CD2 3.27Å; S983-Y987 PolarHBondContact O-N 3.12Å; S983-Y987 VanDerWaalsContact O-N 3.17Å; I985-Y987 PolarHBondContact O-N 3.27Å; Y987-Q989 PolarHBondContact O-N 3.28Å; Y987-Q989 VanDerWaalsContact O-N 3.09Å
988	E	68.7	Low	64.1	Low	99 Å²	99	31.6 Å²	31.6	46%	0.463	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	25.5	179.9	-57	-159.6	127.2	0	0	115.4	A984 I985 V990 M1032 S1034 M1037	A984-E988 PolarHBondContact O-N 3.24Å; I985-E988 PolarHBondContact O-N 3.4Å; E988-V990 VanDerWaalsContact C-N 3.29Å; E988-V990 PolarHBondContact O-N 3.08Å; E988-M1032 HydrophobicContact CG-CE 4.08Å; E988-S1034 WeakPolarHBondContact OE1-CB 3.45Å; E988-S1034 PolarHBondContact OE1-OG 2.67Å; E988-M1037 VanDerWaalsContact C-CE 3.48Å
989	Q	60.5	Low	64.5	Low	59 Å²	59	31.8 Å²	31.8	28%	0.276	16%	0.164	S	C	.	.			trans	-78.4	70.8	-174.4	-79.6	-77.2	12.8	0	0	112.3	E918 A984 Y987 V991 T992 T993	E918-Q989 PolarHBondContact OE2-NE2 3.36Å; A984-Q989 HydrophobicContact CB-CB 4.46Å; A984-Q989 PolarHBondContact O-N 3.23Å; Y987-Q989 PolarHBondContact O-N 3.28Å; Y987-Q989 VanDerWaalsContact O-N 3.09Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.06Å; Q989-V991 VanDerWaalsContact O-N 3.17Å; Q989-T992 WeakPolarHBondContact O-CA 3.45Å; Q989-T992 WeakPolarHBondContact O-CB 3.33Å; Q989-T992 PolarHBondContact O-N 2.95Å; Q989-T993 PolarHBondContact O-N 2.88Å; Q989-T993 PolarHBondContact O-OG1 2.79Å
990	V	66.1	Low	64.8	Low	47 Å²	47	31.6 Å²	31.6	29%	0.285	16%	0.162	S	C	.	.	H	α-helix	trans	-48.8	-43.7	-173.7	173.5	0	0	0	0	113.9	E988 K994 M1037 C1040	E988-V990 VanDerWaalsContact C-N 3.29Å; E988-V990 PolarHBondContact O-N 3.08Å; V990-K994 HydrophobicContact CG1-CD 4.26Å; V990-K994 VanDerWaalsContact O-CG 3.32Å; V990-K994 WeakPolarHBondContact O-CG 3.44Å; V990-K994 PolarHBondContact O-N 3.18Å; V990-M1037 HydrophobicContact CG2-CE 3.92Å; V990-C1040 HydrophobicContact CG1-CB 4.43Å
991	V	54.3	Low	66	Low	81 Å²	81	28.8 Å²	28.8	49%	0.491	14%	0.144	S	C	.	.	H	α-helix	trans	-67.4	-43.3	-179.9	-179.9	0	0	0	0	110.7	Y916 Q989 K994 L995	Y916-V991 HydrophobicContact CE1-CG1 4.08Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.06Å; Q989-V991 VanDerWaalsContact O-N 3.17Å; V991-K994 PolarHBondContact O-N 3.13Å; V991-L995 HydrophobicContact CG1-CD1 3.96Å; V991-L995 WeakPolarHBondContact O-CD1 3.42Å; V991-L995 WeakPolarHBondContact O-CG 3.42Å; V991-L995 PolarHBondContact O-N 3.24Å
992	T	58.4	Low	66.4	Low	8 Å²	8	29.4 Å²	29.4	5%	0.049	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-44.9	176.5	-51.7	0	0	0	0	111.6	L919 A984 Q989 K994 L995 L996	L919-T992 HydrophobicContact CB-CG2 4.01Å; L919-T992 HydrophobicContact CD1-CG2 3.67Å; L919-T992 HydrophobicContact CD2-CG2 4.33Å; L919-T992 HydrophobicContact CG-CG2 4.19Å; A984-T992 HydrophobicContact CB-CG2 3.95Å; Q989-T992 WeakPolarHBondContact O-CA 3.45Å; Q989-T992 WeakPolarHBondContact O-CB 3.33Å; Q989-T992 PolarHBondContact O-N 2.95Å; T992-K994 VanDerWaalsContact C-N 3.32Å; T992-K994 PolarHBondContact O-N 3.4Å; T992-L995 PolarHBondContact O-N 3.08Å; T992-L996 HydrophobicContact CG2-CD1 3.93Å; T992-L996 HydrophobicContact CG2-CG 4.29Å; T992-L996 WeakPolarHBondContact O-CB 3.46Å; T992-L996 VanDerWaalsContact O-CG 3.25Å; T992-L996 WeakPolarHBondContact O-CG 3.34Å; T992-L996 PolarHBondContact O-N 2.62Å
993	T	68.3	Low	66.6	Low	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-46.6	173.3	-62.3	0	0	0	0	111.1	L981 I985 Q989 L996 V997 M1037 L1044	L981-T993 HydrophobicContact CD1-CG2 3.89Å; I985-T993 HydrophobicContact CG1-CG2 4.14Å; Q989-T993 PolarHBondContact O-N 2.88Å; Q989-T993 PolarHBondContact O-OG1 2.79Å; T993-L996 PolarHBondContact O-N 2.84Å; T993-V997 WeakPolarHBondContact O-CB 3.3Å; T993-V997 VanDerWaalsContact O-CG2 3.32Å; T993-V997 WeakPolarHBondContact O-CG2 3.22Å; T993-V997 PolarHBondContact O-N 3.4Å; T993-V997 VanDerWaalsContact O-N 3.08Å; T993-M1037 HydrophobicContact CG2-SD 3.83Å; T993-L1044 HydrophobicContact CG2-CD1 4.47Å
994	K	69.6	Low	67.5	Low	48 Å²	48	29.6 Å²	29.6	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-50.6	175.9	-75.4	175	174.9	-166	0	111.7	V990 V991 T992 L996 V997 V998 C1040 L1044	V990-K994 HydrophobicContact CG1-CD 4.26Å; V990-K994 VanDerWaalsContact O-CG 3.32Å; V990-K994 WeakPolarHBondContact O-CG 3.44Å; V990-K994 PolarHBondContact O-N 3.18Å; V991-K994 PolarHBondContact O-N 3.13Å; T992-K994 VanDerWaalsContact C-N 3.32Å; T992-K994 PolarHBondContact O-N 3.4Å; K994-L996 PolarHBondContact O-N 3.08Å; K994-V997 PolarHBondContact O-N 2.92Å; K994-V998 WeakPolarHBondContact O-CB 3.36Å; K994-V998 WeakPolarHBondContact O-CG2 3.42Å; K994-V998 PolarHBondContact O-N 3.06Å; K994-C1040 WeakPolarHBondContact CE-SG 3.15Å; K994-L1044 HydrophobicContact CG-CD1 4.04Å; K994-L1044 HydrophobicContact CG-CD2 4.3Å
995	L	59.8	Low	68.4	Low	12 Å²	12	34.2 Å²	34.2	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-178.9	-68.8	160.6	0	0	0	113.2	Y916 V991 T992 V998 W999	Y916-L995 HydrophobicContact CD1-CD1 3.9Å; Y916-L995 HydrophobicContact CD2-CD1 3.52Å; Y916-L995 HydrophobicContact CE1-CD1 3.77Å; Y916-L995 HydrophobicContact CE2-CD1 3.38Å; Y916-L995 HydrophobicContact CE2-CD2 3.83Å; Y916-L995 HydrophobicContact CE2-CG 4.25Å; Y916-L995 HydrophobicContact CG-CD1 3.79Å; V991-L995 HydrophobicContact CG1-CD1 3.96Å; V991-L995 WeakPolarHBondContact O-CD1 3.42Å; V991-L995 WeakPolarHBondContact O-CG 3.42Å; V991-L995 PolarHBondContact O-N 3.24Å; T992-L995 PolarHBondContact O-N 3.08Å; L995-V998 PolarHBondContact O-N 3.25Å; L995-W999 PolarHBondContact O-N 3.06Å
996	L	64.9	Low	68.9	Low	10 Å²	10	38.3 Å²	38.3	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-38.8	177.3	-70.3	173.4	0	0	0	112	L907 P980 L981 A984 T992 T993 K994 W999 D1000	L907-L996 HydrophobicContact CD1-CD2 4.18Å; L907-L996 HydrophobicContact CD2-CD2 3.68Å; L907-L996 HydrophobicContact CG-CD2 4.38Å; P980-L996 HydrophobicContact CB-CD1 4.37Å; L981-L996 HydrophobicContact CB-CD1 4.41Å; L981-L996 HydrophobicContact CD1-CB 4.14Å; L981-L996 HydrophobicContact CD1-CD1 4.41Å; A984-L996 HydrophobicContact CB-CD1 3.88Å; T992-L996 HydrophobicContact CG2-CD1 3.93Å; T992-L996 HydrophobicContact CG2-CG 4.29Å; T992-L996 WeakPolarHBondContact O-CB 3.46Å; T992-L996 VanDerWaalsContact O-CG 3.25Å; T992-L996 WeakPolarHBondContact O-CG 3.34Å; T992-L996 PolarHBondContact O-N 2.62Å; T993-L996 PolarHBondContact O-N 2.84Å; K994-L996 PolarHBondContact O-N 3.08Å; L996-W999 PolarHBondContact O-N 3.26Å; L996-D1000 PolarHBondContact O-N 2.88Å
997	V	74.1	Confident	69.3	Low	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-75.7	-35.4	176.1	172.5	0	0	0	0	112	L981 T993 K994 W999 D1000 P1001 L1004 L1044 Y1048	L981-V997 HydrophobicContact CD1-CG2 3.87Å; L981-V997 HydrophobicContact CD2-CG2 4.06Å; T993-V997 WeakPolarHBondContact O-CB 3.3Å; T993-V997 VanDerWaalsContact O-CG2 3.32Å; T993-V997 WeakPolarHBondContact O-CG2 3.22Å; T993-V997 PolarHBondContact O-N 3.4Å; T993-V997 VanDerWaalsContact O-N 3.08Å; K994-V997 PolarHBondContact O-N 2.92Å; V997-W999 PolarHBondContact O-N 3.05Å; V997-D1000 CarbonylContact O-C 3.58Å; V997-P1001 VanDerWaalsContact O-CA 3.24Å; V997-P1001 WeakPolarHBondContact O-CA 3.43Å; V997-P1001 WeakPolarHBondContact O-CD 3.38Å; V997-P1001 WeakPolarHBondContact O-CG 3.31Å; V997-L1004 HydrophobicContact CG1-CD1 3.68Å; V997-L1004 HydrophobicContact CG1-CD2 4.1Å; V997-L1004 HydrophobicContact CG1-CG 3.71Å; V997-L1004 HydrophobicContact CG2-CD2 3.65Å; V997-L1004 HydrophobicContact CG2-CG 3.95Å; V997-L1044 HydrophobicContact CB-CD1 4.09Å; V997-L1044 HydrophobicContact CG1-CB 4.03Å; V997-L1044 HydrophobicContact CG1-CD1 4.13Å; V997-L1044 HydrophobicContact CG1-CD2 4.12Å; V997-L1044 HydrophobicContact CG1-CG 4.33Å; V997-L1044 HydrophobicContact CG2-CD1 4.2Å; V997-Y1048 HydrophobicContact CG1-CD2 4.34Å
998	V	68.4	Low	69.8	Low	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-33.6	170.1	168.5	0	0	0	0	110.9	K994 L995 Y1048 R1067 L1068 Y1071	K994-V998 WeakPolarHBondContact O-CB 3.36Å; K994-V998 WeakPolarHBondContact O-CG2 3.42Å; K994-V998 PolarHBondContact O-N 3.06Å; L995-V998 PolarHBondContact O-N 3.25Å; V998-Y1048 HydrophobicContact CG2-CE2 4.48Å; V998-Y1048 WeakPolarHBondContact CG2-OH 3.27Å; V998-R1067 HydrophobicContact CG1-CG 4.28Å; V998-R1067 WeakPolarHBondContact O-CD 3.22Å; V998-R1067 PolarHBondContact O-NE 2.81Å; V998-L1068 HydrophobicContact CG1-CB 4.01Å; V998-L1068 HydrophobicContact CG1-CG 4.16Å; V998-Y1071 HydrophobicContact CB-CG 4.47Å; V998-Y1071 HydrophobicContact CG1-CD1 4.45Å; V998-Y1071 HydrophobicContact CG1-CD2 4.33Å; V998-Y1071 HydrophobicContact CG1-CG 3.94Å; V998-Y1071 HydrophobicContact CG2-CD1 3.95Å; V998-Y1071 HydrophobicContact CG2-CD2 3.45Å; V998-Y1071 VanDerWaalsContact CG2-CD2 3.45Å; V998-Y1071 HydrophobicContact CG2-CE1 4.03Å; V998-Y1071 HydrophobicContact CG2-CE2 3.54Å; V998-Y1071 HydrophobicContact CG2-CG 3.66Å
999	W	67.6	Low	69.8	Low	26 Å²	26	28.4 Å²	28.4	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-72.4	-57.2	174.2	-175.8	-98.8	0	0	0	112.3	L907 C910 L995 L996 V997 V1061 K1064 L1065 R1067 L1068	L907-W999 HydrophobicContact CD1-CB 4.28Å; L907-W999 HydrophobicContact CD1-CD2 4.08Å; L907-W999 HydrophobicContact CD1-CG 3.79Å; C910-W999 HydrophobicContact CB-CH2 4.41Å; C910-W999 HydrophobicContact CB-CZ3 4.14Å; C910-W999 WeakPolarHBondContact SG-CH2 3.49Å; C910-W999 WeakPolarHBondContact SG-CZ3 3.25Å; L995-W999 PolarHBondContact O-N 3.06Å; L996-W999 PolarHBondContact O-N 3.26Å; V997-W999 PolarHBondContact O-N 3.05Å; W999-V1061 HydrophobicContact CH2-CG1 4.47Å; W999-K1064 HydrophobicContact CD2-CB 4.09Å; W999-K1064 HydrophobicContact CE3-CB 3.94Å; W999-K1064 HydrophobicContact CH2-CB 4.14Å; W999-K1064 HydrophobicContact CZ2-CB 4.3Å; W999-K1064 HydrophobicContact CZ3-CB 3.96Å; W999-K1064 WeakPolarHBondContact O-CD 3.39Å; W999-L1065 HydrophobicContact CH2-CD2 4.47Å; W999-L1065 HydrophobicContact CH2-CG 4.14Å; W999-L1065 HydrophobicContact CZ3-CD2 4.03Å; W999-L1065 HydrophobicContact CZ3-CG 3.94Å; W999-R1067 PolarHBondContact O-NH2 2.81Å; W999-L1068 HydrophobicContact CE3-CD1 4.22Å
1000	D	68.5	Low	69.9	Low	29 Å²	29	29.1 Å²	29.1	16%	0.155	15%	0.147	C	C	.	.			trans	-126.1	87	-179.2	-160.3	70.3	0	0	0	111.2	L996 V997 D1002 A1003 K1006 K1064	L996-D1000 PolarHBondContact O-N 2.88Å; V997-D1000 CarbonylContact O-C 3.58Å; D1000-D1002 PolarHBondContact O-N 2.73Å; D1000-A1003 HydrophobicContact CB-CB 4.35Å; D1000-A1003 WeakPolarHBondContact O-CB 3.3Å; D1000-A1003 PolarHBondContact O-N 3.15Å; D1000-K1006 IonicContact OD2-NZ 2.69Å; D1000-K1006 PolarHBondContact OD2-NZ 3.2Å; D1000-K1064 IonicContact OD1-NZ 2.77Å; D1000-K1064 PolarHBondContact OD1-NZ 3.27Å
1001	P	79.1	Confident	69.4	Low	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.1	-32.5	-175.8	-23.6	31.8	0	0	0	113.3	V997 A1003 L1004 Y1048 F1049 Y1056 R1067	V997-P1001 VanDerWaalsContact O-CA 3.24Å; V997-P1001 WeakPolarHBondContact O-CA 3.43Å; V997-P1001 WeakPolarHBondContact O-CD 3.38Å; V997-P1001 WeakPolarHBondContact O-CG 3.31Å; P1001-A1003 PolarHBondContact O-N 3.34Å; P1001-A1003 VanDerWaalsContact O-N 3.08Å; P1001-L1004 WeakPolarHBondContact O-CB 3.49Å; P1001-L1004 PolarHBondContact O-N 3.3Å; P1001-Y1048 HydrophobicContact CB-CD1 4.32Å; P1001-Y1048 HydrophobicContact CB-CG 4.07Å; P1001-Y1048 HydrophobicContact CG-CD1 4.07Å; P1001-Y1048 HydrophobicContact CG-CE1 4.4Å; P1001-Y1048 HydrophobicContact CG-CG 4.27Å; P1001-F1049 HydrophobicContact CB-CE2 4.22Å; P1001-F1049 HydrophobicContact CB-CZ 4.13Å; P1001-Y1056 HydrophobicContact CB-CD2 3.61Å; P1001-Y1056 HydrophobicContact CB-CE2 3.79Å; P1001-Y1056 HydrophobicContact CB-CG 4.2Å; P1001-Y1056 HydrophobicContact CG-CD1 4.37Å; P1001-Y1056 HydrophobicContact CG-CD2 3.9Å; P1001-Y1056 HydrophobicContact CG-CE2 4.1Å; P1001-Y1056 HydrophobicContact CG-CG 4.02Å; P1001-R1067 VanDerWaalsContact CD-NH2 3.32Å
1002	D	77.4	Confident	69	Low	22 Å²	22	26.5 Å²	26.5	12%	0.118	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-58	-20.6	174.2	-65.5	-15.8	0	0	0	113	D1000 L1004 H1005 K1006 Y1056 A1057	D1000-D1002 PolarHBondContact O-N 2.73Å; D1002-L1004 PolarHBondContact O-N 3.34Å; D1002-H1005 PolarHBondContact O-N 2.97Å; D1002-K1006 VanDerWaalsContact CB-CE 3.5Å; D1002-K1006 WeakPolarHBondContact O-CG 3.43Å; D1002-K1006 PolarHBondContact O-N 2.94Å; D1002-Y1056 WeakPolarHBondContact OD1-CB 3.42Å; D1002-Y1056 VanDerWaalsContact OD2-C 3.31Å; D1002-A1057 WeakPolarHBondContact OD2-CA 3.47Å; D1002-A1057 PolarHBondContact OD2-N 3.03Å
1003	A	73.7	Confident	68.1	Low	20 Å²	20	29.5 Å²	29.5	17%	0.165	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.8	175.7	0	0	0	0	0	113.3	L981 D1000 P1001 H1005 P1025	L981-A1003 HydrophobicContact CD2-CB 3.66Å; L981-A1003 WeakPolarHBondContact CD2-O 3.43Å; D1000-A1003 HydrophobicContact CB-CB 4.35Å; D1000-A1003 WeakPolarHBondContact O-CB 3.3Å; D1000-A1003 PolarHBondContact O-N 3.15Å; P1001-A1003 PolarHBondContact O-N 3.34Å; P1001-A1003 VanDerWaalsContact O-N 3.08Å; A1003-H1005 PolarHBondContact O-N 3.5Å; A1003-P1025 WeakPolarHBondContact O-CG 3.37Å
1004	L	81.4	Confident	66.7	Low	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.8	-28.6	169.8	-73.4	178.5	0	0	0	113.3	V997 P1001 D1002 I1041 L1044 E1045 F1049	V997-L1004 HydrophobicContact CG1-CD1 3.68Å; V997-L1004 HydrophobicContact CG1-CD2 4.1Å; V997-L1004 HydrophobicContact CG1-CG 3.71Å; V997-L1004 HydrophobicContact CG2-CD2 3.65Å; V997-L1004 HydrophobicContact CG2-CG 3.95Å; P1001-L1004 WeakPolarHBondContact O-CB 3.49Å; P1001-L1004 PolarHBondContact O-N 3.3Å; D1002-L1004 PolarHBondContact O-N 3.34Å; L1004-I1041 HydrophobicContact CD2-CG2 4.25Å; L1004-L1044 HydrophobicContact CD1-CB 4.07Å; L1004-E1045 HydrophobicContact CD1-CG 3.97Å; L1004-F1049 HydrophobicContact CD1-CE2 4.2Å
1005	H	80.3	Confident	65.1	Low	105 Å²	105	38 Å²	38	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-0.4	-174.7	-58.2	-35.4	0	0	0	113.2	D1002 A1003 E1045 F1049	D1002-H1005 PolarHBondContact O-N 2.97Å; A1003-H1005 PolarHBondContact O-N 3.5Å; H1005-E1045 IonicContact CE1-OE1 2.66Å; H1005-F1049 AromaticContact CD2-CE2 3.92Å; H1005-F1049 AromaticContact CD2-CZ 3.85Å; H1005-F1049 AromaticContact NE2-CD2 3.53Å; H1005-F1049 AromaticContact NE2-CE2 3.57Å; H1005-F1049 AromaticContact NE2-CG 3.83Å; H1005-F1049 AromaticContact NE2-CZ 3.92Å
1006	K	78.3	Confident	64	Low	86 Å²	86	40.4 Å²	40.4	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	-89.9	151.2	168.9	-65.3	164.8	-162.3	164.2	0	109.2	D1000 D1002 P1025	D1000-K1006 IonicContact OD2-NZ 2.69Å; D1000-K1006 PolarHBondContact OD2-NZ 3.2Å; D1002-K1006 VanDerWaalsContact CB-CE 3.5Å; D1002-K1006 WeakPolarHBondContact O-CG 3.43Å; D1002-K1006 PolarHBondContact O-N 2.94Å; K1006-P1025 WeakPolarHBondContact O-CD 3.21Å
1007	P	74.2	Confident	62.6	Low	25 Å²	25	45.5 Å²	45.5	16%	0.162	27%	0.266	C	S	.	.			trans	-60.6	141.8	169.8	-17.1	27.8	0	0	0	111.6	Y1010 E1022	P1007-Y1010 HydrophobicContact CB-CD1 4.22Å; P1007-Y1010 HydrophobicContact CB-CE1 3.74Å; P1007-Y1010 HydrophobicContact CB-CE2 4.14Å; P1007-Y1010 HydrophobicContact CG-CE1 3.78Å; P1007-Y1010 WeakPolarHBondContact O-CE2 3.3Å; P1007-E1022 HydrophobicContact CB-CB 3.47Å; P1007-E1022 VanDerWaalsContact CB-CB 3.47Å; P1007-E1022 HydrophobicContact CG-CB 3.63Å; P1007-E1022 HydrophobicContact CG-CG 4.47Å; P1007-E1022 WeakPolarHBondContact CG-OE2 3.3Å
1008	C	72.4	Confident	61.1	Low	1 Å²	1	54.8 Å²	54.8	1%	0.007	31%	0.306	C	S	.	.	S	Bend	trans	-110.2	-16.8	178.7	73.5	0	0	0	0	113.3	T979 F1023 P1025 L1028	T979-C1008 PolarHBondContact N-O 3.33Å; T979-C1008 WeakPolarHBondContact OG1-CA 3.33Å; T979-C1008 PolarHBondContact OG1-O 3.01Å; C1008-F1023 PolarHBondContact N-O 3.35Å; C1008-F1023 PolarHBondContact SG-O 3.01Å; C1008-P1025 HydrophobicContact CB-CG 4.01Å; C1008-L1028 VanDerWaalsContact SG-CD2 3.58Å
1009	L	68.5	Low	59.7	Low	15 Å²	15	56.6 Å²	56.6	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	109	169.8	173.3	60.4	0	0	0	109.6	I958 P976 L978 F1023	I958-L1009 HydrophobicContact CD1-CD2 4.5Å; I958-L1009 HydrophobicContact CG1-CD2 4.49Å; I958-L1009 HydrophobicContact CG2-CD2 3.9Å; P976-L1009 HydrophobicContact CB-CD1 4.49Å; L978-L1009 HydrophobicContact CB-CD1 4.46Å; L978-L1009 HydrophobicContact CD1-CB 4.1Å; L978-L1009 HydrophobicContact CD1-CD1 4.08Å; L1009-F1023 HydrophobicContact CB-CB 4.36Å; L1009-F1023 HydrophobicContact CB-CD2 4.34Å; L1009-F1023 HydrophobicContact CD2-CD2 3.89Å; L1009-F1023 HydrophobicContact CD2-CE2 4.39Å; L1009-F1023 HydrophobicContact CG-CD2 4.17Å; L1009-F1023 PolarHBondContact N-O 3.36Å; L1009-F1023 PolarHBondContact O-N 2.89Å
1010	Y	63.8	Low	58.1	Low	73 Å²	73	59.5 Å²	59.5	29%	0.286	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.1	176.5	-65.2	-90.8	0	0	0	110.3	P976 I977 T979 P1007 E1022	P976-Y1010 CarbonylContact C-O 3.52Å; P976-Y1010 WeakPolarHBondContact CA-O 2.97Å; P976-Y1010 VanDerWaalsContact CB-O 3.27Å; P976-Y1010 WeakPolarHBondContact CB-O 3.32Å; I977-Y1010 HydrophobicContact CB-CD2 4.23Å; I977-Y1010 HydrophobicContact CG2-CD2 4.49Å; I977-Y1010 PolarHBondContact N-O 3.41Å; I977-Y1010 WeakPolarHBondContact O-CD2 3.35Å; I977-Y1010 PolarHBondContact O-N 3.04Å; T979-Y1010 HydrophobicContact CG2-CD2 4.46Å; T979-Y1010 HydrophobicContact CG2-CE2 3.99Å; P1007-Y1010 HydrophobicContact CB-CD1 4.22Å; P1007-Y1010 HydrophobicContact CB-CE1 3.74Å; P1007-Y1010 HydrophobicContact CB-CE2 4.14Å; P1007-Y1010 HydrophobicContact CG-CE1 3.78Å; P1007-Y1010 WeakPolarHBondContact O-CE2 3.3Å; Y1010-E1022 HydrophobicContact CD1-CB 4.29Å; Y1010-E1022 HydrophobicContact CD1-CG 4.16Å; Y1010-E1022 VanDerWaalsContact CD1-OE1 3.27Å; Y1010-E1022 WeakPolarHBondContact CD1-OE1 3.45Å
1011	N	54.9	Low	57.4	Low	44 Å²	44	60 Å²	60	24%	0.235	37%	0.366	C	S	.	.			trans	-89.5	127.1	173.1	-170.8	-5.6	0	0	0	110.5	L1013	N1011-L1013 PolarHBondContact OD1-N 3.1Å
1012	S	45.1	Very low	56.8	Low	30 Å²	30	65.2 Å²	65.2	21%	0.21	39%	0.39	C	S	.	.			trans	-84.1	-14.2	-175.9	52.3	0	0	0	0	114.7	T974 S1014	T974-S1012 WeakPolarHBondContact O-CB 3.29Å; T974-S1012 PolarHBondContact O-OG 3.1Å; S1012-S1014 PolarHBondContact O-N 2.91Å
1013	L	41	Very low	56.6	Low	70 Å²	70	65.5 Å²	65.5	37%	0.366	39%	0.39	S	S	.	.			trans	-89.5	94.5	-177.8	-82.5	77.9	0	0	0	112.4	L973 N1011 S1015 C1016	L973-L1013 HydrophobicContact CD2-CD1 4.3Å; N1011-L1013 PolarHBondContact OD1-N 3.1Å; L1013-S1015 PolarHBondContact O-N 3.2Å; L1013-C1016 PolarHBondContact O-N 3.25Å
1014	S	37.7	Very low	57	Low	134 Å²	134	66.3 Å²	66.3	94%	0.937	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	1.4	171.1	57.1	0	0	0	0	115.2	S1012	S1012-S1014 PolarHBondContact O-N 2.91Å
1015	S	37.2	Very low	57	Low	92 Å²	92	66.1 Å²	66.1	64%	0.643	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.3	-177.2	48.5	0	0	0	0	114.7	L1013 S1017	L1013-S1015 PolarHBondContact O-N 3.2Å; S1015-S1017 PolarHBondContact O-N 3.4Å
1016	C	36.1	Very low	57.2	Low	64 Å²	64	64.2 Å²	64.2	43%	0.432	38%	0.382	S	S	.	.			trans	-92.4	69.9	-176.9	-161.2	0	0	0	0	112.7	L1013 K1018 L1019	L1013-C1016 PolarHBondContact O-N 3.25Å; C1016-K1018 PolarHBondContact O-N 2.9Å; C1016-L1019 PolarHBondContact O-N 3.43Å
1017	S	35.7	Very low	57.3	Low	117 Å²	117	64.3 Å²	64.3	82%	0.818	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	25.3	-171.3	58.4	0	0	0	0	117.2	S1015	S1015-S1017 PolarHBondContact O-N 3.4Å
1018	K	41.1	Very low	57.6	Low	194 Å²	194	63.2 Å²	63.2	84%	0.843	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	-5.4	173.6	-68.7	-171.5	177	-177.5	0	115	C1016	C1016-K1018 PolarHBondContact O-N 2.9Å
1019	L	39.3	Very low	58.1	Low	38 Å²	38	63.2 Å²	63.2	20%	0.199	38%	0.377	C	S	.	.	S	Bend	trans	-130.2	79.8	159.2	-87.3	94.2	0	0	0	108.3	D954 C1016 F1023	D954-L1019 HydrophobicContact CB-CD2 4.43Å; C1016-L1019 PolarHBondContact O-N 3.43Å; L1019-F1023 HydrophobicContact CD2-CZ 4.32Å
1020	G	34.8	Very low	58.6	Low	87 Å²	87	66.9 Å²	66.9	90%	0.897	40%	0.396	S	S	*	.			trans	-94.5	93.8	174.7	0	0	0	0	0	110.7
1021	G	53.3	Low	59.1	Low	39 Å²	39	64.5 Å²	64.5	40%	0.402	39%	0.388	S	S	.	.			trans	-172.3	136	175.8	0	0	0	0	0	111.8
1022	E	66.8	Low	60	Low	111 Å²	111	64.1 Å²	64.1	52%	0.519	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-90.7	117.2	164.1	-47.5	174.4	132.3	0	0	105.9	P1007 Y1010 T1024	P1007-E1022 HydrophobicContact CB-CB 3.47Å; P1007-E1022 VanDerWaalsContact CB-CB 3.47Å; P1007-E1022 HydrophobicContact CG-CB 3.63Å; P1007-E1022 HydrophobicContact CG-CG 4.47Å; P1007-E1022 WeakPolarHBondContact CG-OE2 3.3Å; Y1010-E1022 HydrophobicContact CD1-CB 4.29Å; Y1010-E1022 HydrophobicContact CD1-CG 4.16Å; Y1010-E1022 VanDerWaalsContact CD1-OE1 3.27Å; Y1010-E1022 WeakPolarHBondContact CD1-OE1 3.45Å; E1022-T1024 PolarHBondContact O-N 3.01Å
1023	F	72.3	Confident	61.5	Low	28 Å²	28	67.7 Å²	67.7	12%	0.123	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-78.1	124	-166.9	-61.1	-84.3	0	0	0	111.9	I958 C1008 L1009 L1019 E1027 I1031	I958-F1023 HydrophobicContact CD1-CD2 4.37Å; I958-F1023 HydrophobicContact CD1-CE1 4.35Å; I958-F1023 HydrophobicContact CD1-CE2 3.92Å; I958-F1023 HydrophobicContact CD1-CZ 3.9Å; I958-F1023 HydrophobicContact CG1-CE2 4.16Å; I958-F1023 HydrophobicContact CG1-CZ 4.32Å; C1008-F1023 PolarHBondContact N-O 3.35Å; C1008-F1023 PolarHBondContact SG-O 3.01Å; L1009-F1023 HydrophobicContact CB-CB 4.36Å; L1009-F1023 HydrophobicContact CB-CD2 4.34Å; L1009-F1023 HydrophobicContact CD2-CD2 3.89Å; L1009-F1023 HydrophobicContact CD2-CE2 4.39Å; L1009-F1023 HydrophobicContact CG-CD2 4.17Å; L1009-F1023 PolarHBondContact N-O 3.36Å; L1009-F1023 PolarHBondContact O-N 2.89Å; L1019-F1023 HydrophobicContact CD2-CZ 4.32Å; F1023-E1027 HydrophobicContact CD1-CB 4.29Å; F1023-I1031 HydrophobicContact CD1-CD1 3.57Å; F1023-I1031 HydrophobicContact CE1-CD1 3.34Å; F1023-I1031 HydrophobicContact CZ-CD1 4.25Å
1024	T	83.3	Confident	63.2	Low	36 Å²	36	64.7 Å²	64.7	22%	0.221	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-67.8	158.7	167.4	62.5	0	0	0	0	111.4	E1022 K1026 E1027 L1028	E1022-T1024 PolarHBondContact O-N 3.01Å; T1024-K1026 PolarHBondContact O-N 3.37Å; T1024-K1026 VanDerWaalsContact O-N 3.15Å; T1024-E1027 VanDerWaalsContact CB-OE2 3.31Å; T1024-E1027 WeakPolarHBondContact CB-OE2 3.43Å; T1024-E1027 WeakPolarHBondContact CG2-OE2 3.48Å; T1024-E1027 PolarHBondContact N-OE2 3.37Å; T1024-E1027 PolarHBondContact O-N 3.02Å; T1024-E1027 VanDerWaalsContact O-N 3.16Å; T1024-E1027 VanDerWaalsContact OG1-CD 3.26Å; T1024-E1027 WeakPolarHBondContact OG1-CG 3.26Å; T1024-E1027 PolarHBondContact OG1-N 3.28Å; T1024-E1027 PolarHBondContact OG1-OE2 2.91Å; T1024-L1028 PolarHBondContact O-N 3.49Å
1025	P	82.2	Confident	65.2	Low	0 Å²	0	64 Å²	64	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-43.2	-43	170.4	-38.7	41.9	0	0	0	115	L981 I985 A1003 K1006 C1008 A1029 I1041	L981-P1025 HydrophobicContact CD2-CG 3.77Å; L981-P1025 HydrophobicContact CG-CG 4.3Å; I985-P1025 HydrophobicContact CD1-CB 3.51Å; I985-P1025 HydrophobicContact CD1-CG 4.13Å; A1003-P1025 WeakPolarHBondContact O-CG 3.37Å; K1006-P1025 WeakPolarHBondContact O-CD 3.21Å; C1008-P1025 HydrophobicContact CB-CG 4.01Å; P1025-A1029 WeakPolarHBondContact O-CB 3.48Å; P1025-A1029 PolarHBondContact O-N 2.84Å; P1025-A1029 VanDerWaalsContact O-N 3.07Å; P1025-I1041 HydrophobicContact CB-CD1 4.15Å; P1025-I1041 WeakPolarHBondContact O-CD1 3.46Å
1026	K	83.9	Confident	67	Low	64 Å²	64	62.7 Å²	62.7	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-71.3	-42.2	-177.3	-165.3	164.4	-169	163.1	0	112.1	T1024 A1029 L1030 I1041 E1042 E1045	T1024-K1026 PolarHBondContact O-N 3.37Å; T1024-K1026 VanDerWaalsContact O-N 3.15Å; K1026-A1029 PolarHBondContact O-N 2.99Å; K1026-L1030 HydrophobicContact CG-CD1 4.36Å; K1026-L1030 WeakPolarHBondContact O-CB 3.36Å; K1026-L1030 WeakPolarHBondContact O-CD1 3.27Å; K1026-L1030 VanDerWaalsContact O-CG 3.27Å; K1026-L1030 WeakPolarHBondContact O-CG 3.35Å; K1026-L1030 PolarHBondContact O-N 3.38Å; K1026-I1041 HydrophobicContact CB-CG2 4.18Å; K1026-I1041 HydrophobicContact CG-CG2 4.36Å; K1026-E1042 IonicContact NZ-OE1 3.94Å; K1026-E1045 IonicContact NZ-OE1 3.93Å; K1026-E1045 IonicContact NZ-OE2 3.81Å; K1026-E1045 PolarHBondContact NZ-OE2 2.85Å
1027	E	81	Confident	69.1	Low	88 Å²	88	59.7 Å²	59.7	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-40.4	175.5	-68.2	160.9	136.8	0	0	111.7	F1023 T1024 L1030 I1031	F1023-E1027 HydrophobicContact CD1-CB 4.29Å; T1024-E1027 VanDerWaalsContact CB-OE2 3.31Å; T1024-E1027 WeakPolarHBondContact CB-OE2 3.43Å; T1024-E1027 WeakPolarHBondContact CG2-OE2 3.48Å; T1024-E1027 PolarHBondContact N-OE2 3.37Å; T1024-E1027 PolarHBondContact O-N 3.02Å; T1024-E1027 VanDerWaalsContact O-N 3.16Å; T1024-E1027 VanDerWaalsContact OG1-CD 3.26Å; T1024-E1027 WeakPolarHBondContact OG1-CG 3.26Å; T1024-E1027 PolarHBondContact OG1-N 3.28Å; T1024-E1027 PolarHBondContact OG1-OE2 2.91Å; E1027-L1030 WeakPolarHBondContact O-CB 3.35Å; E1027-L1030 PolarHBondContact O-N 2.94Å; E1027-I1031 VanDerWaalsContact O-CG1 3.3Å; E1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; E1027-I1031 PolarHBondContact O-N 3.3Å
1028	L	79.3	Confident	71.4	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-46.5	175.9	-175.1	62.5	0	0	0	111.4	I985 C1008 T1024 L1030 I1031 M1032	I985-L1028 HydrophobicContact CB-CD2 4.18Å; I985-L1028 HydrophobicContact CG2-CB 4.27Å; I985-L1028 HydrophobicContact CG2-CD2 3.75Å; I985-L1028 HydrophobicContact CG2-CG 3.9Å; C1008-L1028 VanDerWaalsContact SG-CD2 3.58Å; T1024-L1028 PolarHBondContact O-N 3.49Å; L1028-L1030 VanDerWaalsContact C-N 3.32Å; L1028-L1030 PolarHBondContact O-N 3.1Å; L1028-I1031 PolarHBondContact O-N 2.84Å; L1028-M1032 HydrophobicContact CG-SD 4.3Å; L1028-M1032 WeakPolarHBondContact O-CB 3.33Å; L1028-M1032 VanDerWaalsContact O-CG 3.3Å; L1028-M1032 WeakPolarHBondContact O-CG 3.29Å; L1028-M1032 PolarHBondContact O-N 3.35Å
1029	A	82.2	Confident	73.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-29.6	176.6	0	0	0	0	0	113.6	I985 P1025 K1026 K1033 S1034 M1037 Q1038 I1041	I985-A1029 HydrophobicContact CG2-CB 4.33Å; P1025-A1029 WeakPolarHBondContact O-CB 3.48Å; P1025-A1029 PolarHBondContact O-N 2.84Å; P1025-A1029 VanDerWaalsContact O-N 3.07Å; K1026-A1029 PolarHBondContact O-N 2.99Å; A1029-K1033 PolarHBondContact O-N 3.05Å; A1029-S1034 PolarHBondContact O-N 3.05Å; A1029-M1037 HydrophobicContact CB-CB 4.25Å; A1029-M1037 HydrophobicContact CB-CG 3.99Å; A1029-Q1038 HydrophobicContact CB-CG 4.03Å; A1029-Q1038 PolarHBondContact O-NE2 2.69Å; A1029-I1041 HydrophobicContact CB-CD1 3.69Å
1030	L	80.1	Confident	75.6	Confident	92 Å²	92	50 Å²	50	48%	0.482	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-47.8	171.5	-79.2	164.7	0	0	0	111.8	K1026 E1027 L1028 M1032 K1033 Q1038	K1026-L1030 HydrophobicContact CG-CD1 4.36Å; K1026-L1030 WeakPolarHBondContact O-CB 3.36Å; K1026-L1030 WeakPolarHBondContact O-CD1 3.27Å; K1026-L1030 VanDerWaalsContact O-CG 3.27Å; K1026-L1030 WeakPolarHBondContact O-CG 3.35Å; K1026-L1030 PolarHBondContact O-N 3.38Å; E1027-L1030 WeakPolarHBondContact O-CB 3.35Å; E1027-L1030 PolarHBondContact O-N 2.94Å; L1028-L1030 VanDerWaalsContact C-N 3.32Å; L1028-L1030 PolarHBondContact O-N 3.1Å; L1030-M1032 VanDerWaalsContact C-N 3.33Å; L1030-M1032 PolarHBondContact O-N 3.34Å; L1030-K1033 WeakPolarHBondContact O-CA 3.43Å; L1030-K1033 PolarHBondContact O-N 2.86Å; L1030-Q1038 HydrophobicContact CD2-CG 4.48Å
1031	I	74.8	Confident	78	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.118	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-34.7	-180	-65.2	162.1	0	0	0	111.4	L955 I958 F1023 E1027 L1028 K1033	L955-I1031 HydrophobicContact CB-CG2 3.85Å; L955-I1031 HydrophobicContact CD1-CG2 4.21Å; I958-I1031 HydrophobicContact CD1-CD1 4.14Å; I958-I1031 HydrophobicContact CD1-CG2 4.01Å; F1023-I1031 HydrophobicContact CD1-CD1 3.57Å; F1023-I1031 HydrophobicContact CE1-CD1 3.34Å; F1023-I1031 HydrophobicContact CZ-CD1 4.25Å; E1027-I1031 VanDerWaalsContact O-CG1 3.3Å; E1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; E1027-I1031 PolarHBondContact O-N 3.3Å; L1028-I1031 PolarHBondContact O-N 2.84Å; I1031-K1033 PolarHBondContact O-N 3.06Å
1032	M	73.9	Confident	79.6	Confident	37 Å²	37	48.3 Å²	48.3	18%	0.182	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.8	170.6	-71.3	177.1	67.2	0	0	114.3	L955 I985 L986 E988 L1028 L1030 S1034	L955-M1032 HydrophobicContact CD1-CG 4.3Å; I985-M1032 HydrophobicContact CG2-SD 4.14Å; I985-M1032 WeakPolarHBondContact O-CE 3.33Å; L986-M1032 HydrophobicContact CD1-SD 4.17Å; L986-M1032 WeakPolarHBondContact O-CE 3.35Å; E988-M1032 HydrophobicContact CG-CE 4.08Å; L1028-M1032 HydrophobicContact CG-SD 4.3Å; L1028-M1032 WeakPolarHBondContact O-CB 3.33Å; L1028-M1032 VanDerWaalsContact O-CG 3.3Å; L1028-M1032 WeakPolarHBondContact O-CG 3.29Å; L1028-M1032 PolarHBondContact O-N 3.35Å; L1030-M1032 VanDerWaalsContact C-N 3.33Å; L1030-M1032 PolarHBondContact O-N 3.34Å; M1032-S1034 PolarHBondContact O-N 3.1Å; M1032-S1034 VanDerWaalsContact O-N 3.11Å
1033	K	74.6	Confident	80.4	Confident	105 Å²	105	48.5 Å²	48.5	46%	0.457	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	23.1	-174	-59.2	175.8	176.7	175.6	0	114.1	D952 A1029 L1030 I1031 E1035	D952-K1033 IonicContact OD1-NZ 2.99Å; D952-K1033 PolarHBondContact OD1-NZ 3.12Å; D952-K1033 IonicContact OD2-NZ 3.02Å; D952-K1033 PolarHBondContact OD2-NZ 3.44Å; A1029-K1033 PolarHBondContact O-N 3.05Å; L1030-K1033 WeakPolarHBondContact O-CA 3.43Å; L1030-K1033 PolarHBondContact O-N 2.86Å; I1031-K1033 PolarHBondContact O-N 3.06Å; K1033-E1035 PolarHBondContact O-N 3.3Å
1034	S	78.5	Confident	80.9	Confident	6 Å²	6	47.2 Å²	47.2	4%	0.042	23%	0.231	C	C	.	.			trans	-83.1	95.1	-175.4	-179.1	0	0	0	0	111.7	E988 A1029 M1032 S1036 M1037 Q1038	E988-S1034 WeakPolarHBondContact OE1-CB 3.45Å; E988-S1034 PolarHBondContact OE1-OG 2.67Å; A1029-S1034 PolarHBondContact O-N 3.05Å; M1032-S1034 PolarHBondContact O-N 3.1Å; M1032-S1034 VanDerWaalsContact O-N 3.11Å; S1034-S1036 PolarHBondContact O-N 3.38Å; S1034-S1036 PolarHBondContact OG-OG 2.89Å; S1034-M1037 PolarHBondContact O-N 3.29Å; S1034-M1037 WeakPolarHBondContact OG-CB 3.36Å; S1034-M1037 PolarHBondContact OG-N 2.77Å; S1034-Q1038 WeakPolarHBondContact O-CB 3.34Å; S1034-Q1038 WeakPolarHBondContact O-CG 3.48Å; S1034-Q1038 PolarHBondContact O-N 3.15Å
1035	E	78.3	Confident	81	Confident	121 Å²	121	47.4 Å²	47.4	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-61.1	-32.1	179.9	-158.8	-159.4	-168.3	0	0	112.4	K1033 K1039	K1033-E1035 PolarHBondContact O-N 3.3Å; E1035-K1039 HydrophobicContact CG-CD 4.32Å; E1035-K1039 WeakPolarHBondContact O-CB 3.27Å; E1035-K1039 VanDerWaalsContact O-CG 3.26Å; E1035-K1039 WeakPolarHBondContact O-CG 3.49Å; E1035-K1039 PolarHBondContact O-N 2.95Å; E1035-K1039 VanDerWaalsContact OE1-CE 3.23Å; E1035-K1039 WeakPolarHBondContact OE1-CE 3.41Å; E1035-K1039 IonicContact OE1-NZ 2.71Å; E1035-K1039 PolarHBondContact OE1-NZ 3.14Å; E1035-K1039 IonicContact OE2-NZ 3.2Å; E1035-K1039 PolarHBondContact OE2-NZ 2.88Å
1036	S	76.6	Confident	81	Confident	64 Å²	64	53 Å²	53	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-44.7	176.8	55.9	0	0	0	0	111.8	S1034 C1040	S1034-S1036 PolarHBondContact O-N 3.38Å; S1034-S1036 PolarHBondContact OG-OG 2.89Å; S1036-C1040 WeakPolarHBondContact O-CB 3.38Å; S1036-C1040 PolarHBondContact O-N 3.44Å
1037	M	79.8	Confident	80.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-74.5	-37	178.8	-167.7	57	69.3	0	0	111.9	I985 E988 V990 T993 A1029 S1034 C1040 I1041	I985-M1037 HydrophobicContact CG1-CG 4.3Å; I985-M1037 HydrophobicContact CG1-SD 4.12Å; I985-M1037 HydrophobicContact CG2-CG 4.05Å; E988-M1037 VanDerWaalsContact C-CE 3.48Å; V990-M1037 HydrophobicContact CG2-CE 3.92Å; T993-M1037 HydrophobicContact CG2-SD 3.83Å; A1029-M1037 HydrophobicContact CB-CB 4.25Å; A1029-M1037 HydrophobicContact CB-CG 3.99Å; S1034-M1037 PolarHBondContact O-N 3.29Å; S1034-M1037 WeakPolarHBondContact OG-CB 3.36Å; S1034-M1037 PolarHBondContact OG-N 2.77Å; M1037-C1040 WeakPolarHBondContact O-CB 3.24Å; M1037-C1040 PolarHBondContact O-N 3.31Å; M1037-C1040 HydrophobicContact SD-CB 4.37Å; M1037-I1041 HydrophobicContact CG-CD1 4.04Å; M1037-I1041 WeakPolarHBondContact O-CG1 3.43Å; M1037-I1041 PolarHBondContact O-N 3.03Å; M1037-I1041 HydrophobicContact SD-CD1 4.5Å
1038	Q	83.8	Confident	80.4	Confident	46 Å²	46	52.1 Å²	52.1	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-53.3	171.8	-71.7	165.2	29.8	0	0	110.9	A1029 L1030 S1034 C1040 I1041 E1042	A1029-Q1038 HydrophobicContact CB-CG 4.03Å; A1029-Q1038 PolarHBondContact O-NE2 2.69Å; L1030-Q1038 HydrophobicContact CD2-CG 4.48Å; S1034-Q1038 WeakPolarHBondContact O-CB 3.34Å; S1034-Q1038 WeakPolarHBondContact O-CG 3.48Å; S1034-Q1038 PolarHBondContact O-N 3.15Å; Q1038-C1040 VanDerWaalsContact C-N 3.27Å; Q1038-C1040 PolarHBondContact O-N 3.34Å; Q1038-I1041 PolarHBondContact O-N 2.78Å; Q1038-I1041 VanDerWaalsContact O-N 3.15Å; Q1038-E1042 WeakPolarHBondContact O-CG 3.23Å; Q1038-E1042 PolarHBondContact O-N 3.02Å
1039	K	84.7	Confident	80.3	Confident	95 Å²	95	55 Å²	55	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-35.9	175.6	-73.7	170.3	-176.5	166.6	0	112.6	E1035 Q1043	E1035-K1039 HydrophobicContact CG-CD 4.32Å; E1035-K1039 WeakPolarHBondContact O-CB 3.27Å; E1035-K1039 VanDerWaalsContact O-CG 3.26Å; E1035-K1039 WeakPolarHBondContact O-CG 3.49Å; E1035-K1039 PolarHBondContact O-N 2.95Å; E1035-K1039 VanDerWaalsContact OE1-CE 3.23Å; E1035-K1039 WeakPolarHBondContact OE1-CE 3.41Å; E1035-K1039 IonicContact OE1-NZ 2.71Å; E1035-K1039 PolarHBondContact OE1-NZ 3.14Å; E1035-K1039 IonicContact OE2-NZ 3.2Å; E1035-K1039 PolarHBondContact OE2-NZ 2.88Å; K1039-Q1043 WeakPolarHBondContact O-CB 3.5Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.48Å; K1039-Q1043 PolarHBondContact O-N 3.42Å
1040	C	83.1	Confident	79.2	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-44.1	175.4	-175	0	0	0	0	112.2	V990 K994 S1036 M1037 Q1038 L1044	V990-C1040 HydrophobicContact CG1-CB 4.43Å; K994-C1040 WeakPolarHBondContact CE-SG 3.15Å; S1036-C1040 WeakPolarHBondContact O-CB 3.38Å; S1036-C1040 PolarHBondContact O-N 3.44Å; M1037-C1040 WeakPolarHBondContact O-CB 3.24Å; M1037-C1040 PolarHBondContact O-N 3.31Å; M1037-C1040 HydrophobicContact SD-CB 4.37Å; Q1038-C1040 VanDerWaalsContact C-N 3.27Å; Q1038-C1040 PolarHBondContact O-N 3.34Å; C1040-L1044 WeakPolarHBondContact O-CD1 3.33Å; C1040-L1044 VanDerWaalsContact O-CG 3.27Å; C1040-L1044 WeakPolarHBondContact O-CG 3.49Å; C1040-L1044 PolarHBondContact O-N 3.21Å; C1040-L1044 VanDerWaalsContact O-N 3.1Å
1041	I	85.6	Confident	77.8	Confident	1 Å²	1	61 Å²	61	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-44.3	179	-72	168.9	0	0	0	110.3	I985 L1004 P1025 K1026 A1029 M1037 Q1038 Q1043 L1044 E1045	I985-I1041 HydrophobicContact CD1-CD1 3.96Å; I985-I1041 HydrophobicContact CG1-CD1 4.34Å; L1004-I1041 HydrophobicContact CD2-CG2 4.25Å; P1025-I1041 HydrophobicContact CB-CD1 4.15Å; P1025-I1041 WeakPolarHBondContact O-CD1 3.46Å; K1026-I1041 HydrophobicContact CB-CG2 4.18Å; K1026-I1041 HydrophobicContact CG-CG2 4.36Å; A1029-I1041 HydrophobicContact CB-CD1 3.69Å; M1037-I1041 HydrophobicContact CG-CD1 4.04Å; M1037-I1041 WeakPolarHBondContact O-CG1 3.43Å; M1037-I1041 PolarHBondContact O-N 3.03Å; M1037-I1041 HydrophobicContact SD-CD1 4.5Å; Q1038-I1041 PolarHBondContact O-N 2.78Å; Q1038-I1041 VanDerWaalsContact O-N 3.15Å; I1041-Q1043 PolarHBondContact O-N 2.72Å; I1041-L1044 PolarHBondContact O-N 3.24Å; I1041-L1044 VanDerWaalsContact O-N 3.11Å; I1041-E1045 HydrophobicContact CG2-CG 4.41Å; I1041-E1045 WeakPolarHBondContact O-CG 3.44Å; I1041-E1045 PolarHBondContact O-N 2.99Å
1042	E	85.8	Confident	76.5	Confident	90 Å²	90	67.1 Å²	67.1	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-39.2	176.3	-69.3	-173.4	148.6	0	0	112.8	K1026 Q1038 L1044 L1046	K1026-E1042 IonicContact NZ-OE1 3.94Å; Q1038-E1042 WeakPolarHBondContact O-CG 3.23Å; Q1038-E1042 PolarHBondContact O-N 3.02Å; E1042-L1044 VanDerWaalsContact C-N 3.3Å; E1042-L1044 PolarHBondContact O-N 3.15Å; E1042-L1046 WeakPolarHBondContact O-CB 3.46Å; E1042-L1046 VanDerWaalsContact O-CG 3.27Å; E1042-L1046 WeakPolarHBondContact O-CG 3.33Å; E1042-L1046 PolarHBondContact O-N 3.01Å
1043	Q	84.6	Confident	75.1	Confident	115 Å²	115	72.2 Å²	72.2	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-61.2	-39	172.3	-78.3	173.2	6.3	0	0	112.1	K1039 I1041 Q1047	K1039-Q1043 WeakPolarHBondContact O-CB 3.5Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.48Å; K1039-Q1043 PolarHBondContact O-N 3.42Å; I1041-Q1043 PolarHBondContact O-N 2.72Å; Q1043-Q1047 VanDerWaalsContact O-CB 3.23Å; Q1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; Q1043-Q1047 PolarHBondContact O-N 2.91Å
1044	L	83.4	Confident	74.2	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-74.9	-40.1	179.3	-70.2	164.2	0	0	0	112.4	T993 K994 V997 L1004 C1040 I1041 E1042 L1046 Q1047 Y1048	T993-L1044 HydrophobicContact CG2-CD1 4.47Å; K994-L1044 HydrophobicContact CG-CD1 4.04Å; K994-L1044 HydrophobicContact CG-CD2 4.3Å; V997-L1044 HydrophobicContact CB-CD1 4.09Å; V997-L1044 HydrophobicContact CG1-CB 4.03Å; V997-L1044 HydrophobicContact CG1-CD1 4.13Å; V997-L1044 HydrophobicContact CG1-CD2 4.12Å; V997-L1044 HydrophobicContact CG1-CG 4.33Å; V997-L1044 HydrophobicContact CG2-CD1 4.2Å; L1004-L1044 HydrophobicContact CD1-CB 4.07Å; C1040-L1044 WeakPolarHBondContact O-CD1 3.33Å; C1040-L1044 VanDerWaalsContact O-CG 3.27Å; C1040-L1044 WeakPolarHBondContact O-CG 3.49Å; C1040-L1044 PolarHBondContact O-N 3.21Å; C1040-L1044 VanDerWaalsContact O-N 3.1Å; I1041-L1044 PolarHBondContact O-N 3.24Å; I1041-L1044 VanDerWaalsContact O-N 3.11Å; E1042-L1044 VanDerWaalsContact C-N 3.3Å; E1042-L1044 PolarHBondContact O-N 3.15Å; L1044-L1046 VanDerWaalsContact C-N 3.33Å; L1044-L1046 PolarHBondContact O-N 3.33Å; L1044-Q1047 PolarHBondContact O-N 3.45Å; L1044-Y1048 HydrophobicContact CD2-CE2 4.17Å; L1044-Y1048 WeakPolarHBondContact O-CD2 3.27Å; L1044-Y1048 PolarHBondContact O-N 3.48Å
1045	E	84.5	Confident	73.1	Confident	40 Å²	40	77.9 Å²	77.9	19%	0.187	40%	0.402	C	S	.	.	H	α-helix	trans	-57.1	-47.4	171	-74.4	-178	144.6	0	0	110.7	L1004 H1005 K1026 I1041 F1049	L1004-E1045 HydrophobicContact CD1-CG 3.97Å; H1005-E1045 IonicContact CE1-OE1 2.66Å; K1026-E1045 IonicContact NZ-OE1 3.93Å; K1026-E1045 IonicContact NZ-OE2 3.81Å; K1026-E1045 PolarHBondContact NZ-OE2 2.85Å; I1041-E1045 HydrophobicContact CG2-CG 4.41Å; I1041-E1045 WeakPolarHBondContact O-CG 3.44Å; I1041-E1045 PolarHBondContact O-N 2.99Å; E1045-F1049 WeakPolarHBondContact O-CB 3.13Å; E1045-F1049 PolarHBondContact O-N 3.32Å
1046	L	81.9	Confident	72.5	Confident	118 Å²	118	72.8 Å²	72.8	62%	0.618	38%	0.378	S	S	*	.	H	α-helix	trans	-65.1	-37.2	175.4	-71.8	171.2	0	0	0	112.6	E1042 L1044 S1050	E1042-L1046 WeakPolarHBondContact O-CB 3.46Å; E1042-L1046 VanDerWaalsContact O-CG 3.27Å; E1042-L1046 WeakPolarHBondContact O-CG 3.33Å; E1042-L1046 PolarHBondContact O-N 3.01Å; L1044-L1046 VanDerWaalsContact C-N 3.33Å; L1044-L1046 PolarHBondContact O-N 3.33Å; L1046-S1050 WeakPolarHBondContact O-CB 3.45Å; L1046-S1050 PolarHBondContact O-OG 3.25Å
1047	Q	79.6	Confident	71.5	Confident	104 Å²	104	73.2 Å²	73.2	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-36.2	-179.7	-177.7	170.3	3.2	0	0	112.7	Q1043 L1044	Q1043-Q1047 VanDerWaalsContact O-CB 3.23Å; Q1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; Q1043-Q1047 PolarHBondContact O-N 2.91Å; L1044-Q1047 PolarHBondContact O-N 3.45Å
1048	Y	73.7	Confident	70.4	Confident	29 Å²	29	78.8 Å²	78.8	11%	0.114	42%	0.419	C	S	.	.	H	α-helix	trans	-105	-28.6	-173.1	-72.3	-71.1	0	0	0	115.1	V997 V998 P1001 L1044 Y1056	V997-Y1048 HydrophobicContact CG1-CD2 4.34Å; V998-Y1048 HydrophobicContact CG2-CE2 4.48Å; V998-Y1048 WeakPolarHBondContact CG2-OH 3.27Å; P1001-Y1048 HydrophobicContact CB-CD1 4.32Å; P1001-Y1048 HydrophobicContact CB-CG 4.07Å; P1001-Y1048 HydrophobicContact CG-CD1 4.07Å; P1001-Y1048 HydrophobicContact CG-CE1 4.4Å; P1001-Y1048 HydrophobicContact CG-CG 4.27Å; L1044-Y1048 HydrophobicContact CD2-CE2 4.17Å; L1044-Y1048 WeakPolarHBondContact O-CD2 3.27Å; L1044-Y1048 PolarHBondContact O-N 3.48Å; Y1048-Y1056 PolarHBondContact O-OH 3.43Å
1049	F	76.6	Confident	69.3	Low	63 Å²	63	78.5 Å²	78.5	28%	0.276	42%	0.419	S	S	.	.	H	α-helix	trans	-115.3	2.1	-171.2	-63.6	-78.3	0	0	0	115.3	P1001 L1004 H1005 E1045 Y1056	P1001-F1049 HydrophobicContact CB-CE2 4.22Å; P1001-F1049 HydrophobicContact CB-CZ 4.13Å; L1004-F1049 HydrophobicContact CD1-CE2 4.2Å; H1005-F1049 AromaticContact CD2-CE2 3.92Å; H1005-F1049 AromaticContact CD2-CZ 3.85Å; H1005-F1049 AromaticContact NE2-CD2 3.53Å; H1005-F1049 AromaticContact NE2-CE2 3.57Å; H1005-F1049 AromaticContact NE2-CG 3.83Å; H1005-F1049 AromaticContact NE2-CZ 3.92Å; E1045-F1049 WeakPolarHBondContact O-CB 3.13Å; E1045-F1049 PolarHBondContact O-N 3.32Å; F1049-Y1056 HydrophobicContact CD1-CE2 4.44Å; F1049-Y1056 AromaticContact CE1-CD2 3.97Å; F1049-Y1056 HydrophobicContact CE1-CD2 3.97Å; F1049-Y1056 AromaticContact CE1-CE2 3.79Å; F1049-Y1056 HydrophobicContact CE1-CE2 3.79Å; F1049-Y1056 AromaticContact CZ-CD2 3.95Å; F1049-Y1056 HydrophobicContact CZ-CD2 3.95Å; F1049-Y1056 AromaticContact CZ-CE2 3.91Å; F1049-Y1056 HydrophobicContact CZ-CE2 3.91Å
1050	S	60	Low	67.8	Low	72 Å²	72	77.8 Å²	77.8	50%	0.503	42%	0.422	S	S	.	.	S	Bend	trans	-80.1	-14.5	-177.9	65	0	0	0	0	115.9	L1046	L1046-S1050 WeakPolarHBondContact O-CB 3.45Å; L1046-S1050 PolarHBondContact O-OG 3.25Å
1051	L	50.3	Low	66.1	Low	148 Å²	148	79 Å²	79	78%	0.775	43%	0.43	S	S	*	.	S	Bend	trans	-132	82.5	-171.2	-79.3	167.6	0	0	0	112.8
1052	N	47	Very low	64.1	Low	151 Å²	151	84.2 Å²	84.2	81%	0.807	46%	0.457	S	S	*	.	S	Bend	trans	65	153.9	-176	-69.6	-29.6	0	0	0	115.2	Q1054	N1052-Q1054 PolarHBondContact O-N 2.95Å
1053	T	45.6	Very low	62.8	Low	144 Å²	144	82.2 Å²	82.2	88%	0.883	45%	0.451	S	S	*	.			trans	-72.3	82	-178.2	53.4	0	0	0	0	111.8
1054	Q	55.6	Low	61.3	Low	116 Å²	116	78.2 Å²	78.2	54%	0.542	43%	0.432	S	S	.	.			trans	-72.8	131.2	161.1	-64.8	-170.5	-4.4	0	0	108.7	N1052 Y1056	N1052-Q1054 PolarHBondContact O-N 2.95Å; Q1054-Y1056 HydrophobicContact CB-CD1 4.45Å; Q1054-Y1056 HydrophobicContact CB-CE1 3.75Å; Q1054-Y1056 HydrophobicContact CB-CE2 4.15Å; Q1054-Y1056 VanDerWaalsContact OE1-CE1 3.22Å; Q1054-Y1056 PolarHBondContact OE1-OH 3.01Å
1055	N	55.4	Low	59.4	Low	114 Å²	114	80.4 Å²	80.4	61%	0.61	44%	0.443	S	S	*	.			trans	-107.3	89.2	-176.9	-168.7	16.7	0	0	0	108.7	A1057 T1058	N1055-A1057 PolarHBondContact O-N 3.27Å; N1055-A1057 VanDerWaalsContact O-N 3.14Å; N1055-T1058 PolarHBondContact O-N 3.48Å; N1055-T1058 PolarHBondContact O-OG1 3.26Å
1056	Y	64.2	Low	57.9	Low	14 Å²	14	83.5 Å²	83.5	6%	0.055	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-70.2	-8.8	-171.7	-54.9	-67.4	0	0	0	113.4	P1001 D1002 Y1048 F1049 Q1054 T1058 D1059	P1001-Y1056 HydrophobicContact CB-CD2 3.61Å; P1001-Y1056 HydrophobicContact CB-CE2 3.79Å; P1001-Y1056 HydrophobicContact CB-CG 4.2Å; P1001-Y1056 HydrophobicContact CG-CD1 4.37Å; P1001-Y1056 HydrophobicContact CG-CD2 3.9Å; P1001-Y1056 HydrophobicContact CG-CE2 4.1Å; P1001-Y1056 HydrophobicContact CG-CG 4.02Å; D1002-Y1056 WeakPolarHBondContact OD1-CB 3.42Å; D1002-Y1056 VanDerWaalsContact OD2-C 3.31Å; Y1048-Y1056 PolarHBondContact O-OH 3.43Å; F1049-Y1056 HydrophobicContact CD1-CE2 4.44Å; F1049-Y1056 AromaticContact CE1-CD2 3.97Å; F1049-Y1056 HydrophobicContact CE1-CD2 3.97Å; F1049-Y1056 AromaticContact CE1-CE2 3.79Å; F1049-Y1056 HydrophobicContact CE1-CE2 3.79Å; F1049-Y1056 AromaticContact CZ-CD2 3.95Å; F1049-Y1056 HydrophobicContact CZ-CD2 3.95Å; F1049-Y1056 AromaticContact CZ-CE2 3.91Å; F1049-Y1056 HydrophobicContact CZ-CE2 3.91Å; Q1054-Y1056 HydrophobicContact CB-CD1 4.45Å; Q1054-Y1056 HydrophobicContact CB-CE1 3.75Å; Q1054-Y1056 HydrophobicContact CB-CE2 4.15Å; Q1054-Y1056 VanDerWaalsContact OE1-CE1 3.22Å; Q1054-Y1056 PolarHBondContact OE1-OH 3.01Å; Y1056-T1058 PolarHBondContact O-N 3.42Å; Y1056-D1059 WeakPolarHBondContact CD1-OD2 3.38Å; Y1056-D1059 VanDerWaalsContact O-CB 3.3Å; Y1056-D1059 WeakPolarHBondContact O-CB 3.28Å; Y1056-D1059 PolarHBondContact O-N 3.32Å
1057	A	56.8	Low	57.3	Low	73 Å²	73	79.7 Å²	79.7	60%	0.603	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-57.5	-18.1	172.7	0	0	0	0	0	114.3	D1002 N1055	D1002-A1057 WeakPolarHBondContact OD2-CA 3.47Å; D1002-A1057 PolarHBondContact OD2-N 3.03Å; N1055-A1057 PolarHBondContact O-N 3.27Å; N1055-A1057 VanDerWaalsContact O-N 3.14Å
1058	T	56.1	Low	55.9	Low	117 Å²	117	75.1 Å²	75.1	72%	0.718	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-102.5	8.9	173.9	54.3	0	0	0	0	114.4	N1055 Y1056 T1060	N1055-T1058 PolarHBondContact O-N 3.48Å; N1055-T1058 PolarHBondContact O-OG1 3.26Å; Y1056-T1058 PolarHBondContact O-N 3.42Å; T1058-T1060 PolarHBondContact O-N 3.18Å
1059	D	60.6	Low	54.6	Low	39 Å²	39	77.4 Å²	77.4	21%	0.209	43%	0.427	C	S	.	.			trans	-66.1	122.1	176.6	-91.3	-41.1	0	0	0	112.2	Y1056 T1063 K1064 R1067	Y1056-D1059 WeakPolarHBondContact CD1-OD2 3.38Å; Y1056-D1059 VanDerWaalsContact O-CB 3.3Å; Y1056-D1059 WeakPolarHBondContact O-CB 3.28Å; Y1056-D1059 PolarHBondContact O-N 3.32Å; D1059-T1063 WeakPolarHBondContact OD1-CB 3.42Å; D1059-T1063 PolarHBondContact OD1-OG1 3.29Å; D1059-K1064 HydrophobicContact CB-CD 4.25Å; D1059-K1064 HydrophobicContact CB-CG 3.79Å; D1059-R1067 IonicContact OD1-NH1 2.72Å; D1059-R1067 IonicContact OD2-CZ 2.67Å; D1059-R1067 IonicContact OD2-NH1 3.21Å; D1059-R1067 PolarHBondContact OD2-NH1 2.91Å; D1059-R1067 IonicContact OD2-NH2 3.96Å; D1059-R1067 PolarHBondContact OD2-NH2 3.33Å
1060	T	53.2	Low	53.4	Low	80 Å²	80	78.6 Å²	78.6	49%	0.491	44%	0.436	S	S	.	.			trans	-67.3	157.3	166.4	65.4	0	0	0	0	111	T1058 I1062 T1063 K1064	T1058-T1060 PolarHBondContact O-N 3.18Å; T1060-I1062 PolarHBondContact O-N 3.08Å; T1060-I1062 VanDerWaalsContact O-N 3.13Å; T1060-T1063 PolarHBondContact N-OG1 3Å; T1060-T1063 VanDerWaalsContact N-OG1 3.15Å; T1060-T1063 PolarHBondContact O-N 3.09Å; T1060-T1063 PolarHBondContact O-OG1 3.28Å; T1060-T1063 VanDerWaalsContact O-OG1 3.08Å; T1060-T1063 PolarHBondContact OG1-N 3.28Å; T1060-T1063 PolarHBondContact OG1-OG1 2.9Å; T1060-K1064 PolarHBondContact O-N 3.17Å; T1060-K1064 VanDerWaalsContact O-N 3.08Å
1061	V	46.7	Very low	53.2	Low	29 Å²	29	76.3 Å²	76.3	18%	0.176	42%	0.417	C	S	.	.	H	α-helix	trans	-52.9	-35.4	173.1	174.5	0	0	0	0	112.2	D904 I905 W999 K1064 L1065	D904-V1061 HydrophobicContact CB-CG2 4.25Å; D904-V1061 WeakPolarHBondContact OD1-CG2 3.39Å; I905-V1061 HydrophobicContact CB-CG1 3.74Å; I905-V1061 HydrophobicContact CD1-CG1 4.38Å; I905-V1061 HydrophobicContact CG1-CG1 4.21Å; W999-V1061 HydrophobicContact CH2-CG1 4.47Å; V1061-K1064 PolarHBondContact O-N 3.5Å; V1061-L1065 HydrophobicContact CG1-CD1 4.13Å; V1061-L1065 PolarHBondContact O-N 3.29Å
1062	I	44.3	Very low	52.9	Low	112 Å²	112	71.6 Å²	71.6	57%	0.574	39%	0.394	S	S	*	.	H	α-helix	trans	-64.3	-48.9	176.5	-60.7	175.2	0	0	0	111	T1060 K1064 L1065 E1066	T1060-I1062 PolarHBondContact O-N 3.08Å; T1060-I1062 VanDerWaalsContact O-N 3.13Å; I1062-K1064 VanDerWaalsContact C-N 3.3Å; I1062-K1064 PolarHBondContact O-N 2.85Å; I1062-L1065 WeakPolarHBondContact O-CB 3.46Å; I1062-L1065 PolarHBondContact O-N 3.22Å; I1062-L1065 VanDerWaalsContact O-N 3.16Å; I1062-E1066 HydrophobicContact CG2-CG 4.31Å; I1062-E1066 WeakPolarHBondContact O-CG 3.17Å; I1062-E1066 PolarHBondContact O-N 3.39Å
1063	T	57.9	Low	52.4	Low	48 Å²	48	71.3 Å²	71.3	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-28.1	179.9	55.4	0	0	0	0	112.9	D1059 T1060 R1067	D1059-T1063 WeakPolarHBondContact OD1-CB 3.42Å; D1059-T1063 PolarHBondContact OD1-OG1 3.29Å; T1060-T1063 PolarHBondContact N-OG1 3Å; T1060-T1063 VanDerWaalsContact N-OG1 3.15Å; T1060-T1063 PolarHBondContact O-N 3.09Å; T1060-T1063 PolarHBondContact O-OG1 3.28Å; T1060-T1063 VanDerWaalsContact O-OG1 3.08Å; T1060-T1063 PolarHBondContact OG1-N 3.28Å; T1060-T1063 PolarHBondContact OG1-OG1 2.9Å; T1063-R1067 WeakPolarHBondContact O-CB 3.15Å; T1063-R1067 PolarHBondContact O-N 3.45Å
1064	K	53.4	Low	52.2	Low	31 Å²	31	69.4 Å²	69.4	14%	0.135	37%	0.374	C	S	.	.	H	α-helix	trans	-67.7	-43.2	169.7	-59.6	-166.8	179.1	-171	0	112.1	W999 D1000 D1059 T1060 V1061 I1062 L1068	W999-K1064 HydrophobicContact CD2-CB 4.09Å; W999-K1064 HydrophobicContact CE3-CB 3.94Å; W999-K1064 HydrophobicContact CH2-CB 4.14Å; W999-K1064 HydrophobicContact CZ2-CB 4.3Å; W999-K1064 HydrophobicContact CZ3-CB 3.96Å; W999-K1064 WeakPolarHBondContact O-CD 3.39Å; D1000-K1064 IonicContact OD1-NZ 2.77Å; D1000-K1064 PolarHBondContact OD1-NZ 3.27Å; D1059-K1064 HydrophobicContact CB-CD 4.25Å; D1059-K1064 HydrophobicContact CB-CG 3.79Å; T1060-K1064 PolarHBondContact O-N 3.17Å; T1060-K1064 VanDerWaalsContact O-N 3.08Å; V1061-K1064 PolarHBondContact O-N 3.5Å; I1062-K1064 VanDerWaalsContact C-N 3.3Å; I1062-K1064 PolarHBondContact O-N 2.85Å; K1064-L1068 PolarHBondContact O-N 3.29Å; K1064-L1068 VanDerWaalsContact O-N 3.1Å
1065	L	45.2	Very low	51	Low	47 Å²	47	70.4 Å²	70.4	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-62.8	-47.4	174	-82.8	165.1	0	0	0	112.3	I905 W999 V1061 I1062 R1067 L1068 I1069	I905-L1065 HydrophobicContact CD1-CD1 3.9Å; W999-L1065 HydrophobicContact CH2-CD2 4.47Å; W999-L1065 HydrophobicContact CH2-CG 4.14Å; W999-L1065 HydrophobicContact CZ3-CD2 4.03Å; W999-L1065 HydrophobicContact CZ3-CG 3.94Å; V1061-L1065 HydrophobicContact CG1-CD1 4.13Å; V1061-L1065 PolarHBondContact O-N 3.29Å; I1062-L1065 WeakPolarHBondContact O-CB 3.46Å; I1062-L1065 PolarHBondContact O-N 3.22Å; I1062-L1065 VanDerWaalsContact O-N 3.16Å; L1065-R1067 PolarHBondContact O-N 3.09Å; L1065-L1068 PolarHBondContact O-N 3.09Å; L1065-I1069 WeakPolarHBondContact O-CB 3.28Å; L1065-I1069 VanDerWaalsContact O-CG1 3.31Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.2Å; L1065-I1069 PolarHBondContact O-N 3.18Å
1066	E	52.5	Low	49.6	Very low	104 Å²	104	70.3 Å²	70.3	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-43.1	178	-72.4	176.8	156.7	0	0	112	I1062 L1068 I1069 N1070	I1062-E1066 HydrophobicContact CG2-CG 4.31Å; I1062-E1066 WeakPolarHBondContact O-CG 3.17Å; I1062-E1066 PolarHBondContact O-N 3.39Å; E1066-L1068 VanDerWaalsContact C-N 3.32Å; E1066-L1068 PolarHBondContact O-N 3.44Å; E1066-I1069 PolarHBondContact O-N 2.73Å; E1066-N1070 WeakPolarHBondContact O-CB 3.5Å; E1066-N1070 VanDerWaalsContact O-CG 3.24Å; E1066-N1070 PolarHBondContact O-N 3.01Å; E1066-N1070 PolarHBondContact O-ND2 3.49Å; E1066-N1070 VanDerWaalsContact O-ND2 3.13Å
1067	R	68.4	Low	47.8	Very low	39 Å²	39	76.7 Å²	76.7	15%	0.147	42%	0.419	C	S	.	.	H	α-helix	trans	-58.4	-44	173.9	173.6	165.2	58.1	-126.6	2.6	111.6	V998 W999 P1001 D1059 T1063 L1065 N1070 Y1071	V998-R1067 HydrophobicContact CG1-CG 4.28Å; V998-R1067 WeakPolarHBondContact O-CD 3.22Å; V998-R1067 PolarHBondContact O-NE 2.81Å; W999-R1067 PolarHBondContact O-NH2 2.81Å; P1001-R1067 VanDerWaalsContact CD-NH2 3.32Å; D1059-R1067 IonicContact OD1-NH1 2.72Å; D1059-R1067 IonicContact OD2-CZ 2.67Å; D1059-R1067 IonicContact OD2-NH1 3.21Å; D1059-R1067 PolarHBondContact OD2-NH1 2.91Å; D1059-R1067 IonicContact OD2-NH2 3.96Å; D1059-R1067 PolarHBondContact OD2-NH2 3.33Å; T1063-R1067 WeakPolarHBondContact O-CB 3.15Å; T1063-R1067 PolarHBondContact O-N 3.45Å; L1065-R1067 PolarHBondContact O-N 3.09Å; R1067-N1070 PolarHBondContact O-N 3.01Å; R1067-Y1071 PolarHBondContact O-N 2.9Å
1068	L	50	Low	46.3	Very low	7 Å²	7	79 Å²	79	4%	0.037	43%	0.428	C	S	.	.	H	α-helix	trans	-70.1	-42.5	179.8	-170.9	151.9	0	0	0	112.3	L914 V998 W999 K1064 L1065 E1066 N1070 Y1071 T1072	L914-L1068 HydrophobicContact CD1-CD1 3.87Å; L914-L1068 HydrophobicContact CD1-CD2 3.42Å; L914-L1068 VanDerWaalsContact CD1-CD2 3.42Å; L914-L1068 HydrophobicContact CD1-CG 4.29Å; L914-L1068 HydrophobicContact CD2-CD2 3.62Å; L914-L1068 HydrophobicContact CG-CD2 4.14Å; V998-L1068 HydrophobicContact CG1-CB 4.01Å; V998-L1068 HydrophobicContact CG1-CG 4.16Å; W999-L1068 HydrophobicContact CE3-CD1 4.22Å; K1064-L1068 PolarHBondContact O-N 3.29Å; K1064-L1068 VanDerWaalsContact O-N 3.1Å; L1065-L1068 PolarHBondContact O-N 3.09Å; E1066-L1068 VanDerWaalsContact C-N 3.32Å; E1066-L1068 PolarHBondContact O-N 3.44Å; L1068-N1070 PolarHBondContact O-N 3.05Å; L1068-Y1071 WeakPolarHBondContact O-CA 3.5Å; L1068-Y1071 WeakPolarHBondContact O-CB 3.28Å; L1068-Y1071 PolarHBondContact O-N 3.28Å; L1068-T1072 HydrophobicContact CD2-CG2 4.28Å; L1068-T1072 PolarHBondContact O-N 3.21Å
1069	I	46.5	Very low	44.8	Very low	78 Å²	78	80.4 Å²	80.4	40%	0.4	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-33.7	175.2	-70.8	165	0	0	0	111.2	L1065 E1066 T1072 K1073	L1065-I1069 WeakPolarHBondContact O-CB 3.28Å; L1065-I1069 VanDerWaalsContact O-CG1 3.31Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.2Å; L1065-I1069 PolarHBondContact O-N 3.18Å; E1066-I1069 PolarHBondContact O-N 2.73Å; I1069-T1072 PolarHBondContact O-OG1 3.23Å; I1069-T1072 VanDerWaalsContact O-OG1 3.07Å; I1069-K1073 VanDerWaalsContact O-CG 3.29Å; I1069-K1073 WeakPolarHBondContact O-CG 3.5Å; I1069-K1073 PolarHBondContact O-N 3.01Å
1070	N	52.2	Low	43.1	Very low	87 Å²	87	86.6 Å²	86.6	47%	0.465	46%	0.458	S	S	.	.	H	α-helix	trans	-78.1	-24.3	174.5	-67.8	-29.2	0	0	0	112.7	E1066 R1067 L1068 K1073	E1066-N1070 WeakPolarHBondContact O-CB 3.5Å; E1066-N1070 VanDerWaalsContact O-CG 3.24Å; E1066-N1070 PolarHBondContact O-N 3.01Å; E1066-N1070 PolarHBondContact O-ND2 3.49Å; E1066-N1070 VanDerWaalsContact O-ND2 3.13Å; R1067-N1070 PolarHBondContact O-N 3.01Å; L1068-N1070 PolarHBondContact O-N 3.05Å; N1070-K1073 PolarHBondContact OD1-NZ 3.22Å; N1070-K1073 VanDerWaalsContact OD1-NZ 3.09Å
1071	Y	55.2	Low	41.8	Very low	24 Å²	24	90 Å²	90	9%	0.094	47%	0.472	C	S	.	.	H	α-helix	trans	-71.1	-42.7	170.2	-169.5	-94	0	0	0	112.2	V998 R1067 L1068 K1073 T1074 F1075	V998-Y1071 HydrophobicContact CB-CG 4.47Å; V998-Y1071 HydrophobicContact CG1-CD1 4.45Å; V998-Y1071 HydrophobicContact CG1-CD2 4.33Å; V998-Y1071 HydrophobicContact CG1-CG 3.94Å; V998-Y1071 HydrophobicContact CG2-CD1 3.95Å; V998-Y1071 HydrophobicContact CG2-CD2 3.45Å; V998-Y1071 VanDerWaalsContact CG2-CD2 3.45Å; V998-Y1071 HydrophobicContact CG2-CE1 4.03Å; V998-Y1071 HydrophobicContact CG2-CE2 3.54Å; V998-Y1071 HydrophobicContact CG2-CG 3.66Å; R1067-Y1071 PolarHBondContact O-N 2.9Å; L1068-Y1071 WeakPolarHBondContact O-CA 3.5Å; L1068-Y1071 WeakPolarHBondContact O-CB 3.28Å; L1068-Y1071 PolarHBondContact O-N 3.28Å; Y1071-K1073 VanDerWaalsContact C-N 3.29Å; Y1071-K1073 PolarHBondContact O-N 3.2Å; Y1071-T1074 PolarHBondContact O-N 3.5Å; Y1071-T1074 VanDerWaalsContact O-N 3.12Å; Y1071-T1074 PolarHBondContact O-OG1 3.35Å; Y1071-F1075 HydrophobicContact CE1-CD2 4.27Å; Y1071-F1075 AromaticContact CE1-CE2 3.79Å; Y1071-F1075 HydrophobicContact CE1-CE2 3.79Å
1072	T	45.3	Very low	40.7	Very low	49 Å²	49	93.9 Å²	93.9	30%	0.301	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-33.9	177	54.4	0	0	0	0	112.1	L1068 I1069 T1074 F1075	L1068-T1072 HydrophobicContact CD2-CG2 4.28Å; L1068-T1072 PolarHBondContact O-N 3.21Å; I1069-T1072 PolarHBondContact O-OG1 3.23Å; I1069-T1072 VanDerWaalsContact O-OG1 3.07Å; T1072-T1074 PolarHBondContact O-N 2.76Å; T1072-F1075 PolarHBondContact O-N 3.5Å; T1072-F1075 VanDerWaalsContact O-N 3.13Å
1073	K	36.4	Very low	39.7	Very low	146 Å²	146	96.6 Å²	96.6	64%	0.635	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.1	172.9	-71.2	170.2	-165.9	165.1	0	115	I1069 N1070 Y1071	I1069-K1073 VanDerWaalsContact O-CG 3.29Å; I1069-K1073 WeakPolarHBondContact O-CG 3.5Å; I1069-K1073 PolarHBondContact O-N 3.01Å; N1070-K1073 PolarHBondContact OD1-NZ 3.22Å; N1070-K1073 VanDerWaalsContact OD1-NZ 3.09Å; Y1071-K1073 VanDerWaalsContact C-N 3.29Å; Y1071-K1073 PolarHBondContact O-N 3.2Å
1074	T	40	Very low	38.1	Very low	103 Å²	103	99 Å²	99	63%	0.632	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.2	174.3	63.1	0	0	0	0	113.4	Y1071 T1072 S1076	Y1071-T1074 PolarHBondContact O-N 3.5Å; Y1071-T1074 VanDerWaalsContact O-N 3.12Å; Y1071-T1074 PolarHBondContact O-OG1 3.35Å; T1072-T1074 PolarHBondContact O-N 2.76Å; T1074-S1076 PolarHBondContact O-N 2.65Å
1075	F	30.1	Very low	36.7	Very low	138 Å²	138	105.3 Å²	105.3	61%	0.605	55%	0.551	S	S	*	*	S	Bend	trans	-83.9	102.9	164	-88.1	-95.8	0	0	0	109.5	Y1071 T1072 L1077	Y1071-F1075 HydrophobicContact CE1-CD2 4.27Å; Y1071-F1075 AromaticContact CE1-CE2 3.79Å; Y1071-F1075 HydrophobicContact CE1-CE2 3.79Å; T1072-F1075 PolarHBondContact O-N 3.5Å; T1072-F1075 VanDerWaalsContact O-N 3.13Å; F1075-L1077 PolarHBondContact O-N 3.35Å
1076	S	25.9	Very low	35.7	Very low	112 Å²	112	111.1 Å²	111.1	78%	0.783	58%	0.581	S	S	*	*			trans	-65.8	96.7	172.9	57	0	0	0	0	110.6	T1074	T1074-S1076 PolarHBondContact O-N 2.65Å
1077	L	26.8	Very low	34.3	Very low	147 Å²	147	111.5 Å²	111.5	77%	0.77	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.4	165	-149.7	75.7	0	0	0	108.8	F1075 N1079	F1075-L1077 PolarHBondContact O-N 3.35Å; L1077-N1079 PolarHBondContact O-N 2.8Å
1078	P	25.3	Very low	32.3	Very low	122 Å²	122	114.9 Å²	114.9	79%	0.792	61%	0.611	S	S	*	*	S	Bend	trans	-54.8	126.9	176.9	-28	36.4	0	0	0	111.7	H1080	P1078-H1080 PolarHBondContact O-N 3.06Å
1079	N	25.3	Very low	31	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-63.5	125.9	-164	-66.5	-25.1	0	0	0	113.7	L1077	L1077-N1079 PolarHBondContact O-N 2.8Å
1080	H	24.9	Very low	30.1	Very low	168 Å²	168	122.6 Å²	122.6	78%	0.778	66%	0.663	S	S	*	*				-168.7	101.3	120.1	-103.4	-60.7	0	0	0	111.7	P1078	P1078-H1080 PolarHBondContact O-N 3.06Å
1081	I	25.1	Very low	28.7	Very low	153 Å²	153	127.7 Å²	127.7	79%	0.785	68%	0.681	S	S	*	*				-140.8	127.3	127.7	-88.3	171.1	0	0	0	104.2	L1083	I1081-L1083 HydrophobicContact CG2-CG 4.2Å
1082	D	23.6	Very low	27.4	Very low	110 Å²	110	131.7 Å²	131.7	59%	0.588	71%	0.709	S	S	*	*			trans	-81.1	129.7	169.4	-97.9	-62.6	0	0	0	109.7	T1084	D1082-T1084 PolarHBondContact OD1-OG1 3.02Å
1083	L	23.7	Very low	26.3	Very low	169 Å²	169	134.5 Å²	134.5	89%	0.885	73%	0.731	S	S	*	*			trans	-116.6	58.8	163.8	-74.9	177	0	0	0	109	I1081	I1081-L1083 HydrophobicContact CG2-CG 4.2Å
1084	T	23.9	Very low	25.7	Very low	99 Å²	99	133.1 Å²	133.1	61%	0.607	74%	0.74	S	S	*	*			trans	-134.4	132.2	174.2	65.2	0	0	0	0	107.2	D1082	D1082-T1084 PolarHBondContact OD1-OG1 3.02Å
1085	E	24.2	Very low	24.7	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	75%	0.752	S	S	*	*			cis	-142	155.5	8.4	-58	173.9	126.8	0	0	110.5	D1087	E1085-D1087 HydrophobicContact CB-CB 4.48Å
1086	I	24.2	Very low	24.7	Very low	169 Å²	169	136.1 Å²	136.1	87%	0.867	76%	0.755	S	S	*	*			trans	-120.2	81.9	138.3	-60.5	-176.9	0	0	0	106.3	V1088	I1086-V1088 HydrophobicContact CG2-CG2 4.12Å
1087	D	22.5	Very low	24.5	Very low	113 Å²	113	138.9 Å²	138.9	60%	0.604	76%	0.755	S	S	*	*			trans	-78	134.3	167.6	176.3	29.1	0	0	0	109.7	E1085 N1089	E1085-D1087 HydrophobicContact CB-CB 4.48Å; D1087-N1089 PolarHBondContact OD1-N 3.09Å
1088	V	26.3	Very low	24.2	Very low	110 Å²	110	136 Å²	136	67%	0.667	75%	0.747	S	S	*	*			trans	-137.7	61.2	168.6	-165.5	0	0	0	0	110.8	I1086	I1086-V1088 HydrophobicContact CG2-CG2 4.12Å
1089	N	24.7	Very low	24	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	75%	0.749	S	S	*	*			trans	73.3	135.6	156.3	-48	-81.7	0	0	0	115.6	D1087	D1087-N1089 PolarHBondContact OD1-N 3.09Å
1090	S	26.3	Very low	23.9	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	75%	0.747	S	S	*	*			cis	-162.9	152.5	27.9	46	0	0	0	0	114.6
1091	K	23.7	Very low	23.7	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	75%	0.75	S	S	*	*			trans	-52.7	169.1	170.6	-74.5	175	180	172.6	0	116.2
1092	P	28.1	Very low	23.7	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	76%	0.756	S	S	*	*			cis	-146.4	-178.4	-33.7	40.6	-22.9	0	0	0	116.2
1093	S	21.1	Very low	23.7	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.769	S	S	*	*			trans	98.8	144.7	136.3	78.5	0	0	0	0	123.1
1094	S	24.2	Very low	23.9	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	76%	0.761	S	S	*	*			trans	84.6	135.7	165.9	70.3	0	0	0	0	120.4
1095	F	19.6	Very low	23.9	Very low	200 Å²	200	142.6 Å²	142.6	88%	0.877	77%	0.77	S	S	*	*			trans	-92.4	174	179.6	-84.6	-113.5	0	0	0	110.8
1096	P	29.5	Very low	23.8	Very low	103 Å²	103	142.4 Å²	142.4	67%	0.669	77%	0.771	S	S	*	*			cis	-142	-148.4	-41.7	41.7	-22.2	0	0	0	111.8
1097	H	21.9	Very low	23.7	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.787	76%	0.762	S	S	*	*			trans	95.5	118.3	158.2	-95.4	-69.1	0	0	0	121.7
1098	S	21	Very low	23.8	Very low	88 Å²	88	143.2 Å²	143.2	62%	0.615	77%	0.768	S	S	*	*			trans	74.5	113.1	133.4	63.9	0	0	0	0	123.4
1099	L	21.4	Very low	23.5	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	77%	0.767	S	S	*	*				83.1	138.8	120.6	-72	172.9	0	0	0	122.2
1100	L	22.3	Very low	23.5	Very low	144 Å²	144	143.9 Å²	143.9	75%	0.754	77%	0.767	S	S	*	*			trans	76.5	110.9	152.3	-68.5	161.2	0	0	0	120.5
1101	Y	21.4	Very low	23.3	Very low	214 Å²	214	148.1 Å²	148.1	84%	0.839	77%	0.766	S	S	*	*				15.1	124.2	129.6	-77.4	-99	0	0	0	118.7
1102	T	24.6	Very low	23.3	Very low	147 Å²	147	144 Å²	144	90%	0.902	76%	0.762	S	S	*	*				-160.6	136.6	113.2	18.3	0	0	0	0	112.9
1103	Q	22.9	Very low	23.2	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	77%	0.769	S	S	*	*			trans	-16.4	159.7	176.1	-72.6	-172.7	-29.9	0	0	124.1
1104	P	29.2	Very low	23.4	Very low	109 Å²	109	150.9 Å²	150.9	71%	0.708	77%	0.77	S	S	*	*			trans	-92.4	163.9	172.3	39.4	-36.2	0	0	0	113.6
1105	N	22.7	Very low	23.4	Very low	149 Å²	149	153.1 Å²	153.1	80%	0.797	77%	0.772	S	S	*	*			trans	-177.8	171.3	136.4	-108.4	-53.3	0	0	0	114.9
1106	M	23	Very low	23.6	Very low	158 Å²	158	153.3 Å²	153.3	78%	0.778	77%	0.769	S	S	*	*			trans	73	97.1	169.8	-53.2	-149.5	72.4	0	0	116.5
1107	I	22.5	Very low	23.3	Very low	132 Å²	132	153.6 Å²	153.6	68%	0.677	77%	0.773	S	S	*	*				72.6	103.6	65.5	-58.3	160.7	0	0	0	112.9
1108	K	23.4	Very low	23.3	Very low	168 Å²	168	152.4 Å²	152.4	73%	0.73	77%	0.772	S	S	*	*				-152.5	123.6	109.4	-129.5	-160.5	174.4	-148.6	0	112.3	D1110	K1108-D1110 IonicContact NZ-OD1 2.79Å; K1108-D1110 IonicContact NZ-OD2 2.67Å; K1108-D1110 PolarHBondContact NZ-OD2 3.13Å
1109	L	21	Very low	23.4	Very low	124 Å²	124	154.6 Å²	154.6	65%	0.649	78%	0.777	S	S	*	*			trans	-82.6	156.6	149.7	-70.1	89.9	0	0	0	108.1	Y1111	L1109-Y1111 HydrophobicContact CD2-CD2 3.81Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.54Å
1110	D	23.6	Very low	23.4	Very low	130 Å²	130	153.7 Å²	153.7	70%	0.695	78%	0.778	S	S	*	*			trans	-138.1	116.7	145.3	-102.6	-49.7	0	0	0	109	K1108	K1108-D1110 IonicContact NZ-OD1 2.79Å; K1108-D1110 IonicContact NZ-OD2 2.67Å; K1108-D1110 PolarHBondContact NZ-OD2 3.13Å
1111	Y	21.3	Very low	23.5	Very low	205 Å²	205	151.9 Å²	151.9	80%	0.804	78%	0.777	S	S	*	*			trans	-94.2	112.1	170.8	-91.9	-83	0	0	0	108.8	L1109	L1109-Y1111 HydrophobicContact CD2-CD2 3.81Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.54Å
1112	S	24.3	Very low	23.6	Very low	108 Å²	108	149.6 Å²	149.6	76%	0.755	78%	0.777	S	S	*	*			trans	175.5	151.4	148.3	52.4	0	0	0	0	109.6
1113	K	27.1	Very low	23.8	Very low	197 Å²	197	149.1 Å²	149.1	86%	0.857	77%	0.769	S	S	*	*			cis	-126.5	137.5	14.4	-65.7	170.1	-179	174.3	0	111.6
1114	Q	23.7	Very low	24.1	Very low	162 Å²	162	147.1 Å²	147.1	76%	0.757	76%	0.764	S	S	*	*			trans	-69.5	148.1	146.9	-66.6	168.1	-37.2	0	0	108.5
1115	N	25.7	Very low	24.1	Very low	165 Å²	165	149.1 Å²	149.1	88%	0.882	77%	0.769	S	S	*	*			trans	-159.8	144.6	130.5	-106.7	-6.7	0	0	0	110.4
1116	Y	23	Very low	24.4	Very low	204 Å²	204	148.6 Å²	148.6	80%	0.8	77%	0.767	S	S	*	*			trans	-82.9	149.7	-177.8	-66.6	-106.6	0	0	0	111.2
1117	S	23.7	Very low	24.8	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	76%	0.762	S	S	*	*				-149.8	152	123.6	-163.4	0	0	0	0	110
1118	L	22.3	Very low	25.1	Very low	146 Å²	146	147.9 Å²	147.9	76%	0.764	77%	0.766	S	S	*	*			trans	-83.8	-169.3	154.6	-108.1	70.5	0	0	0	108.9
1119	D	22.4	Very low	25.7	Very low	133 Å²	133	144.8 Å²	144.8	71%	0.711	76%	0.763	S	S	*	*			trans	77.9	136.2	-179.3	-51.4	-32.1	0	0	0	113.6
1120	V	21	Very low	26.1	Very low	138 Å²	138	141.2 Å²	141.2	84%	0.836	76%	0.756	S	S	*	*			cis	70.1	58.5	34.1	-164.9	0	0	0	0	112
1121	S	24.4	Very low	26.4	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	76%	0.76	S	S	*	*			trans	-150.3	78	158.5	-45	0	0	0	0	109.7
1122	I	24.1	Very low	26.7	Very low	166 Å²	166	140.8 Å²	140.8	85%	0.851	76%	0.757	S	S	*	*			trans	-92.3	105.4	144.3	-63.7	173.7	0	0	0	103.7
1123	D	28.5	Very low	26.8	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	76%	0.758	S	S	*	*			trans	-176.4	133.2	167.9	-79.6	-32.2	0	0	0	103.5
1124	D	28.9	Very low	26.8	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	76%	0.756	S	S	*	*			cis	-136.3	172.9	7	-88.5	-58.2	0	0	0	111.8
1125	D	29.7	Very low	26.9	Very low	151 Å²	151	140.4 Å²	140.4	81%	0.807	76%	0.756	S	S	*	*	S	Bend	trans	101	95.5	162.7	-64.7	-19.7	0	0	0	119.6
1126	D	30.1	Very low	26.8	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	75%	0.748	S	S	*	*			trans	68.6	78.6	146.8	-77.6	-33.7	0	0	0	122.8
1127	N	29.7	Very low	27	Very low	126 Å²	126	138.6 Å²	138.6	67%	0.674	75%	0.747	S	S	*	*				68.3	115.9	117.3	-77.4	-64.7	0	0	0	122.9
1128	I	28.8	Very low	27.2	Very low	149 Å²	149	142.2 Å²	142.2	76%	0.764	75%	0.749	S	S	*	*			trans	77.5	137.4	135.9	-60.9	166.9	0	0	0	119
1129	P	35.7	Very low	27.4	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	75%	0.747	S	S	*	*			cis	-134.4	-151.9	-30	40.2	-18.1	0	0	0	112.7
1130	G	30.3	Very low	27.5	Very low	49 Å²	49	141 Å²	141	51%	0.505	75%	0.75	S	S	.	*			trans	-141.8	-158.8	-172.8	0	0	0	0	0	120.5
1131	E	29	Very low	27.8	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	75%	0.746	S	S	*	*			trans	80.3	168.7	173	-73.6	-178.9	-167.2	0	0	122.2
1132	E	28.9	Very low	27.8	Very low	160 Å²	160	143.2 Å²	143.2	75%	0.748	74%	0.743	S	S	*	*			trans	-108.3	162.4	-136	-45	177.9	122.5	0	0	118.8
1133	S	26.8	Very low	27.8	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	74%	0.739	S	S	*	*			trans	176.5	143.8	133.6	39.8	0	0	0	0	118.4
1134	L	25.6	Very low	27.6	Very low	154 Å²	154	141 Å²	141	81%	0.806	74%	0.741	S	S	*	*			trans	13.1	124.7	156.4	-57.9	169.8	0	0	0	125.4
1135	Y	25.7	Very low	27.4	Very low	194 Å²	194	138.7 Å²	138.7	76%	0.761	74%	0.736	S	S	*	*			trans	66.2	122.4	135.4	-84.3	-92.7	0	0	0	126.1
1136	H	24.6	Very low	27.3	Very low	155 Å²	155	135.3 Å²	135.3	72%	0.718	72%	0.721	S	S	*	*			trans	43.8	122.6	150.4	-70.1	-21.7	0	0	0	120.8
1137	F	26.3	Very low	27.1	Very low	176 Å²	176	133.2 Å²	133.2	77%	0.772	72%	0.717	S	S	*	*				-164.9	145.7	76.6	-120.3	-91.1	0	0	0	114.2
1138	K	28.4	Very low	26.8	Very low	186 Å²	186	135.1 Å²	135.1	81%	0.809	72%	0.716	S	S	*	*			trans	45.1	105.2	159.6	-80.6	172.8	-178.2	176.4	0	121
1139	S	25.8	Very low	26.8	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	72%	0.719	S	S	*	*				82.4	116.5	128	-163.1	0	0	0	0	121.6
1140	L	25.5	Very low	26.3	Very low	148 Å²	148	136 Å²	136	78%	0.775	72%	0.718	S	S	*	*			trans	74.4	124.1	154.9	-66.7	163.8	0	0	0	120.4
1141	H	27.6	Very low	26.2	Very low	162 Å²	162	143.9 Å²	143.9	75%	0.75	74%	0.738	S	S	*	*			trans	65.4	118.2	158.7	-78.1	-71.2	0	0	0	122.2
1142	N	24.5	Very low	26	Very low	128 Å²	128	143.3 Å²	143.3	68%	0.684	74%	0.74	S	S	*	*			trans	62.1	109.8	139.7	-60.5	21	0	0	0	122.8
1143	I	24.2	Very low	25.8	Very low	148 Å²	148	142.8 Å²	142.8	76%	0.759	74%	0.741	S	S	*	*			trans	74.9	112.9	131.1	-54.7	165.5	0	0	0	120.5
1144	S	24.1	Very low	25.7	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	74%	0.74	S	S	*	*			trans	72.3	160.5	153.7	72.9	0	0	0	0	122.1
1145	S	25	Very low	25.9	Very low	95 Å²	95	146 Å²	146	66%	0.664	74%	0.741	S	S	*	*			cis	-172.1	155	-39.5	60.5	0	0	0	0	113.6
1146	T	25.8	Very low	26	Very low	80 Å²	80	144.8 Å²	144.8	49%	0.491	75%	0.745	S	S	.	*			trans	62.7	178.4	166.6	76.4	0	0	0	0	117.5
1147	S	26.1	Very low	26	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	75%	0.752	S	S	*	*			cis	-149.8	-162.2	2.6	66.6	0	0	0	0	112.7
1148	Y	24.3	Very low	26	Very low	167 Å²	167	145.9 Å²	145.9	66%	0.655	75%	0.754	S	S	*	*			trans	-125.7	169.1	-162.7	-105.8	-93.5	0	0	0	118.3
1149	H	29.6	Very low	26	Very low	179 Å²	179	142.3 Å²	142.3	83%	0.829	75%	0.753	S	S	*	*			trans	97.8	168.8	155.1	-103.4	-40.5	0	0	0	122.7
1150	S	24.1	Very low	26	Very low	92 Å²	92	145 Å²	145	64%	0.643	76%	0.758	S	S	*	*			trans	-150.3	154.6	-142.1	57.8	0	0	0	0	115.9
1151	K	29.2	Very low	26.2	Very low	214 Å²	214	143.4 Å²	143.4	93%	0.93	76%	0.757	S	S	*	*			trans	-169	156.2	149.3	-108.8	150.1	-170.7	169.2	0	114.9
1152	N	24.7	Very low	26.1	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	76%	0.757	S	S	*	*			trans	-84.4	149.1	179.5	-68.5	-51.8	0	0	0	113.3
1153	L	24	Very low	26.9	Very low	148 Å²	148	141.1 Å²	141.1	78%	0.775	76%	0.761	S	S	*	*				170	144.1	109.9	-96.1	156.2	0	0	0	115.2
1154	N	25.1	Very low	26.9	Very low	141 Å²	141	138.5 Å²	138.5	75%	0.754	76%	0.762	S	S	*	*			trans	76.9	146.1	150.3	-76.8	-40.2	0	0	0	122.8
1155	K	30.3	Very low	27.2	Very low	191 Å²	191	139.3 Å²	139.3	83%	0.83	76%	0.762	S	S	*	*			trans	85.7	108	153.2	-81.1	178.2	179	177.5	0	121.9
1156	M	27.7	Very low	27.3	Very low	169 Å²	169	140.4 Å²	140.4	83%	0.833	76%	0.761	S	S	*	*			trans	86.3	119.3	132.9	-60.3	-144.3	74	0	0	121.6
1157	L	23.4	Very low	27.4	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	77%	0.767	S	S	*	*			trans	-40.9	126.5	152.1	-70.6	149.1	0	0	0	114.4
1158	K	27.3	Very low	27.4	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	77%	0.769	S	S	*	*			trans	-176.2	98.3	138.9	-99.9	170.7	-177.6	-175	0	106.3
1159	S	26.7	Very low	27.7	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	77%	0.771	S	S	*	*				66.7	137.9	77.6	79.7	0	0	0	0	114.5
1160	L	26.8	Very low	27.6	Very low	159 Å²	159	142.2 Å²	142.2	83%	0.832	76%	0.764	S	S	*	*			trans	-41.1	159.5	153.3	-98.6	65.1	0	0	0	111.8
1161	P	29.7	Very low	27.8	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	77%	0.769	S	S	*	*			cis	-148.6	-171.6	41.5	41.3	-19.6	0	0	0	117.6
1162	T	25.9	Very low	27.7	Very low	123 Å²	123	138.9 Å²	138.9	76%	0.755	76%	0.757	S	S	*	*			trans	-70.4	-177.9	157.3	50.1	0	0	0	0	112.3
1163	P	40.3	Very low	28	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	75%	0.754	S	S	*	*				-130.2	-177	-56.4	39.7	-24.3	0	0	0	111.8
1164	A	24.7	Very low	28.4	Very low	94 Å²	94	137 Å²	137	78%	0.777	75%	0.748	S	S	*	*			trans	156.6	160.7	152.3	0	0	0	0	0	109.3
1165	T	30.1	Very low	28.7	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	75%	0.748	S	S	*	*			cis	-133.7	-165	13.7	53.1	0	0	0	0	108.7
1166	N	26.7	Very low	28.6	Very low	119 Å²	119	137.1 Å²	137.1	64%	0.636	74%	0.742	S	S	*	*			cis	-162	168.3	6.6	-149.8	-2.6	0	0	0	113.7
1167	Q	28.1	Very low	28.8	Very low	132 Å²	132	139.4 Å²	139.4	62%	0.617	74%	0.743	S	S	*	*			trans	67.3	126.1	141.3	-94.7	168.5	3.1	0	0	125.4
1168	F	27.7	Very low	29.1	Very low	161 Å²	161	134.9 Å²	134.9	71%	0.706	73%	0.729	S	S	*	*			trans	91	113.8	142.9	-65.7	-51.4	0	0	0	123.5
1169	I	29.3	Very low	29.1	Very low	135 Å²	135	131.8 Å²	131.8	69%	0.692	73%	0.726	S	S	*	*				86.5	111.8	126.5	-69.5	169.2	0	0	0	120.6
1170	D	27.3	Very low	29.1	Very low	129 Å²	129	134 Å²	134	69%	0.69	73%	0.725	S	S	*	*			trans	58.9	131.9	134.8	-60.1	8	0	0	0	125.6
1171	N	28.2	Very low	29.1	Very low	140 Å²	140	132.1 Å²	132.1	75%	0.749	72%	0.715	S	S	*	*			trans	82.2	126.4	135.2	-68.7	-22.7	0	0	0	124.1
1172	S	28.2	Very low	29	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	72%	0.716	S	S	*	*			trans	74.5	120.3	136.6	58.4	0	0	0	0	122.8
1173	D	31	Very low	29	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	71%	0.711	S	S	*	*			trans	83.6	120.1	130.3	-66.6	7.3	0	0	0	123.1
1174	N	31.9	Very low	28.3	Very low	120 Å²	120	134.4 Å²	134.4	64%	0.642	71%	0.71	S	S	*	*			trans	64.8	123	156.8	-55.5	-43.4	0	0	0	117
1175	F	30.7	Very low	28.4	Very low	175 Å²	175	134.9 Å²	134.9	77%	0.768	71%	0.708	S	S	*	*			cis	-170.8	165.9	8.6	-113.4	-26.6	0	0	0	108.9
1176	K	29.5	Very low	28.3	Very low	161 Å²	161	137.9 Å²	137.9	70%	0.7	71%	0.71	S	S	*	*			cis	-164.4	103.8	-1.2	176.4	-168.2	171.3	-171.5	0	110.9
1177	Y	30.5	Very low	28.4	Very low	217 Å²	217	138.5 Å²	138.5	85%	0.851	71%	0.713	S	S	*	*			trans	61.7	155.4	161.2	-67.7	-112.3	0	0	0	117.5
1178	A	29.8	Very low	28.4	Very low	69 Å²	69	138.2 Å²	138.2	57%	0.57	72%	0.721	S	S	*	*			cis	-168.8	132.2	-24.1	0	0	0	0	0	106
1179	T	27.8	Very low	28.8	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	72%	0.718	S	S	*	*				49.8	139.3	76.4	51	0	0	0	0	116.3
1180	E	27.8	Very low	28.8	Very low	158 Å²	158	136.1 Å²	136.1	74%	0.738	72%	0.719	S	S	*	*			cis	-168.5	160.1	-23.1	-125	-176	154.3	0	0	111.3
1181	N	26.9	Very low	28.7	Very low	118 Å²	118	137.6 Å²	137.6	63%	0.631	72%	0.722	S	S	*	*			trans	7.7	135.4	154	-50.8	-31.9	0	0	0	122.5
1182	N	26.5	Very low	28.9	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	72%	0.722	S	S	*	*				157.6	148.4	102.8	-93.4	-27.6	0	0	0	118.4
1183	N	26.8	Very low	29	Very low	123 Å²	123	142.6 Å²	142.6	66%	0.658	73%	0.726	S	S	*	*			trans	70.3	117	147.8	-62.2	15.8	0	0	0	124.5
1184	D	26.1	Very low	29	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	73%	0.726	S	S	*	*				55.9	115.8	128.2	-48.8	-26.9	0	0	0	123.5
1185	S	25.3	Very low	28.8	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	73%	0.728	S	S	*	*				147.5	147.7	100.7	64.2	0	0	0	0	117.7
1186	F	28.1	Very low	28.5	Very low	188 Å²	188	143.4 Å²	143.4	83%	0.825	73%	0.734	S	S	*	*			trans	60.8	142.2	159.3	-74.7	-72.6	0	0	0	124.9
1187	D	28.7	Very low	28.5	Very low	132 Å²	132	142.3 Å²	142.3	71%	0.706	73%	0.734	S	S	*	*			trans	64.2	96.3	151.1	-59	-16.6	0	0	0	124.5
1188	T	28.9	Very low	28.4	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	73%	0.733	S	S	*	*				22.3	158.5	119.3	57.4	0	0	0	0	123
1189	P	35.4	Very low	28.1	Very low	101 Å²	101	143.6 Å²	143.6	66%	0.656	74%	0.744	S	S	*	*			cis	-142	-164.6	-26.5	39.5	-19.6	0	0	0	114.8
1190	H	29.2	Very low	28.2	Very low	152 Å²	152	144.3 Å²	144.3	70%	0.704	74%	0.743	S	S	*	*			trans	106.4	108.3	173.4	-66.5	-74.8	0	0	0	114
1191	Q	26	Very low	28.3	Very low	160 Å²	160	141.4 Å²	141.4	75%	0.748	74%	0.74	S	S	*	*				62.2	119.6	85.9	-69.2	178.3	-34.3	0	0	111.5
1192	L	31	Very low	28.4	Very low	142 Å²	142	142 Å²	142	74%	0.743	74%	0.743	S	S	*	*				-154.9	143.8	54.3	-78.8	165.9	0	0	0	112.9
1193	Y	32.1	Very low	28.5	Very low	199 Å²	199	142.1 Å²	142.1	78%	0.78	74%	0.742	S	S	*	*			trans	48.6	123.2	158.9	-72	-90.8	0	0	0	119.3
1194	E	29.6	Very low	28.4	Very low	157 Å²	157	143.7 Å²	143.7	73%	0.734	75%	0.745	S	S	*	*				56	130	61	-75.2	-173.9	-160	0	0	114.4
1195	D	28.7	Very low	28.3	Very low	129 Å²	129	146.9 Å²	146.9	69%	0.69	75%	0.747	S	S	*	*			cis	-158.9	136.7	-16	-133.7	12.4	0	0	0	109.1
1196	D	23.9	Very low	28.2	Very low	167 Å²	167	149.5 Å²	149.5	89%	0.893	75%	0.748	S	S	*	*			trans	-153.4	83.8	176.5	-137.8	-15.2	0	0	0	110.6
1197	I	29.3	Very low	27.9	Very low	137 Å²	137	147.6 Å²	147.6	70%	0.703	75%	0.746	S	S	*	*			trans	-131.9	102.4	-178	-50	179.8	0	0	0	110
1198	I	28	Very low	27.7	Very low	162 Å²	162	149.5 Å²	149.5	83%	0.831	76%	0.755	S	S	*	*				-163.1	126.5	103.2	-88.3	167.1	0	0	0	106.7
1199	L	25	Very low	27.3	Very low	151 Å²	151	148.7 Å²	148.7	79%	0.791	75%	0.753	S	S	*	*			trans	-136.9	142.1	-180	-143.2	175.5	0	0	0	108.9
1200	N	28.3	Very low	26.7	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	76%	0.758	S	S	*	*			trans	123.7	132.9	169.4	-69.5	-45.7	0	0	0	112.9
1201	S	30.2	Very low	26.3	Very low	96 Å²	96	152.8 Å²	152.8	67%	0.671	76%	0.763	S	S	*	*			cis	-158.5	144.3	3.1	46.9	0	0	0	0	115.5
1202	N	28.7	Very low	26.1	Very low	132 Å²	132	156.9 Å²	156.9	71%	0.706	77%	0.772	S	S	*	*			trans	73.1	105.7	138.6	-64.1	-8.9	0	0	0	123.5
1203	I	30	Very low	25.8	Very low	146 Å²	146	158.1 Å²	158.1	75%	0.749	77%	0.771	S	S	*	*				78.3	120.3	120.4	-62.7	163.7	0	0	0	120.1
1204	Q	23.4	Very low	25.5	Very low	155 Å²	155	158.1 Å²	158.1	72%	0.724	78%	0.778	S	S	*	*			trans	9.3	147.4	144.9	-51.7	-171.8	11.1	0	0	119.8
1205	R	24.3	Very low	25.2	Very low	207 Å²	207	156.8 Å²	156.8	78%	0.781	78%	0.781	S	S	*	*			cis	-161.2	161.8	32.1	-147	177.3	-129.7	-172.1	-4.1	112.6
1206	E	22.7	Very low	25	Very low	159 Å²	159	162 Å²	162	74%	0.743	79%	0.793	S	S	*	*			trans	2.7	145	167.7	-65.6	170.5	148	0	0	124
1207	N	21.8	Very low	24.9	Very low	147 Å²	147	159.5 Å²	159.5	79%	0.786	79%	0.788	S	S	*	*			trans	89.8	150.8	151.8	-64.5	-32.2	0	0	0	121.9
1208	I	25	Very low	24.6	Very low	172 Å²	172	162.8 Å²	162.8	88%	0.882	79%	0.792	S	S	*	*			trans	79.9	152.2	171.6	-59.8	174.2	0	0	0	116.1
1209	C	21.7	Very low	24.3	Very low	110 Å²	110	166.9 Å²	166.9	74%	0.743	80%	0.797	S	S	*	*			trans	-100.9	172.3	-155.9	-57.6	0	0	0	0	115.3
1210	T	21.5	Very low	24.3	Very low	123 Å²	123	165.9 Å²	165.9	76%	0.755	79%	0.788	S	S	*	*			trans	107.9	122.4	149.9	71.2	0	0	0	0	120.4
1211	W	21.5	Very low	24.2	Very low	215 Å²	215	168.6 Å²	168.6	81%	0.814	80%	0.796	S	S	*	*			trans	52.2	124.9	134	-73.1	64.4	0	0	0	121.5
1212	R	22.5	Very low	23.8	Very low	247 Å²	247	168.7 Å²	168.7	93%	0.932	80%	0.795	S	S	*	*			trans	-145.1	115.6	145.6	-142.4	175.8	-165.8	167.3	6.8	112.3
1213	K	24	Very low	23.6	Very low	167 Å²	167	170.6 Å²	170.6	73%	0.726	80%	0.8	S	S	*	*			trans	-72.9	150	158	-75.3	178.7	172.5	175.2	0	108.7
1214	Q	25.8	Very low	23.3	Very low	199 Å²	199	172.3 Å²	172.3	93%	0.93	80%	0.804	S	S	*	*			trans	-90.8	151.4	162.2	-81.6	-173.7	-19.8	0	0	111
1215	T	23.3	Very low	23.3	Very low	130 Å²	130	168.2 Å²	168.2	80%	0.798	80%	0.804	S	S	*	*			trans	-126	155.8	177.3	45.5	0	0	0	0	109.8
1216	Y	23.3	Very low	23.4	Very low	238 Å²	238	168.6 Å²	168.6	93%	0.933	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-103.4	156.5	167.4	-110.2	-96.9	0	0	0	111
1217	S	23.3	Very low	23.5	Very low	114 Å²	114	169.6 Å²	169.6	80%	0.797	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-94	156.1	-153.1	-58.1	0	0	0	0	116.7
1218	R	21.4	Very low	23.6	Very low	206 Å²	206	165.7 Å²	165.7	78%	0.777	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.3	156.2	167.4	-68.4	-174.7	-179.9	-176.4	3.2	112.9	H1220	R1218-H1220 PolarHBondContact NH1-NE2 3.36Å
1219	R	23	Very low	23.5	Very low	248 Å²	248	159.2 Å²	159.2	94%	0.936	77%	0.77	S	S	*	*			trans	-132.4	150.6	130.6	-80.6	-166.2	176.6	-179.3	0.9	110.4
1220	H	24.4	Very low	23.7	Very low	131 Å²	131	156.7 Å²	156.7	61%	0.606	75%	0.751	S	S	*	*			trans	-91.7	145.9	170.7	-82.4	-91.6	0	0	0	110.6	R1218	R1218-H1220 PolarHBondContact NH1-NE2 3.36Å
1221	H	26.1	Very low	24.1	Very low	198 Å²	198	155.3 Å²	155.3	92%	0.917	75%	0.747	S	S	*	*			trans	-146.6	154.4	131.1	-95.6	-46.6	0	0	0	109
1222	C	22.6	Very low	24.4	Very low	99 Å²	99	151.2 Å²	151.2	67%	0.669	74%	0.74	S	S	*	*			trans	-107.5	137.2	-172.3	-51.7	0	0	0	0	110.5
1223	H	24.7	Very low	24.6	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.796	71%	0.711	S	S	*	*				-170.8	165.7	114	-101.1	-69.2	0	0	0	111.5
1224	H	22.8	Very low	24.8	Very low	182 Å²	182	138 Å²	138	84%	0.843	70%	0.698	S	S	*	*			trans	-31.9	148.4	-174.8	-63.7	-84.7	0	0	0	119.3
1225	G	23.6	Very low	25	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	68%	0.682	S	S	*	*			trans	147.3	96	151.3	0	0	0	0	0	114.3
1226	F	25.6	Very low	25.3	Very low	215 Å²	215	129.9 Å²	129.9	94%	0.943	67%	0.665	S	S	*	*			trans	24.7	130	160.7	-77.9	-94.3	0	0	0	121.3	D1228	F1226-D1228 PolarHBondContact O-N 2.84Å
1227	L	24.8	Very low	25.6	Very low	179 Å²	179	121.6 Å²	121.6	94%	0.937	64%	0.639	S	S	*	*			trans	-72.6	103.4	168.6	-75.9	161.7	0	0	0	111.3
1228	D	24.2	Very low	25.8	Very low	66 Å²	66	122.3 Å²	122.3	35%	0.353	63%	0.634	S	S	.	*			trans	-78.7	119.8	164.5	178	-12.2	0	0	0	110.2	K831 F1226 T1230	K831-D1228 WeakPolarHBondContact CD-OD2 3.42Å; K831-D1228 WeakPolarHBondContact CE-OD2 3.48Å; K831-D1228 IonicContact NZ-OD2 3.81Å; K831-D1228 PolarHBondContact NZ-OD2 3.13Å; F1226-D1228 PolarHBondContact O-N 2.84Å; D1228-T1230 PolarHBondContact O-N 3.09Å; D1228-T1230 WeakPolarHBondContact OD1-CB 3.12Å; D1228-T1230 PolarHBondContact OD1-N 3.31Å; D1228-T1230 VanDerWaalsContact OD1-N 3.11Å; D1228-T1230 PolarHBondContact OD1-OG1 2.64Å
1229	S	23.9	Very low	26.2	Very low	36 Å²	36	119.4 Å²	119.4	25%	0.252	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-38.8	-24.2	175.7	62.6	0	0	0	0	118.6	S1231 L1232	S1229-S1231 PolarHBondContact O-N 3.42Å; S1229-L1232 PolarHBondContact O-N 3.34Å
1230	T	25.9	Very low	26.5	Very low	56 Å²	56	111.3 Å²	111.3	34%	0.344	61%	0.607	S	S	.	*	H	α-helix	trans	-68.6	-14.6	-158	-56.8	0	0	0	0	114.5	N833 D1228	N833-T1230 PolarHBondContact ND2-OG1 3.25Å; D1228-T1230 PolarHBondContact O-N 3.09Å; D1228-T1230 WeakPolarHBondContact OD1-CB 3.12Å; D1228-T1230 PolarHBondContact OD1-N 3.31Å; D1228-T1230 VanDerWaalsContact OD1-N 3.11Å; D1228-T1230 PolarHBondContact OD1-OG1 2.64Å
1231	S	29.9	Very low	26.6	Very low	95 Å²	95	107.3 Å²	107.3	66%	0.664	59%	0.59	S	S	*	*	H	α-helix	trans	-80.3	-25.7	-179.6	59.7	0	0	0	0	115.1	S1229	S1229-S1231 PolarHBondContact O-N 3.42Å
1232	L	28.4	Very low	26.5	Very low	129 Å²	129	102.9 Å²	102.9	68%	0.675	57%	0.573	S	S	*	*	H	α-helix	trans	-73.2	-36.9	-179.9	-124.4	162.8	0	0	0	111.4	S1229 A1234 S1235 V1236	S1229-L1232 PolarHBondContact O-N 3.34Å; L1232-A1234 VanDerWaalsContact C-N 3.31Å; L1232-A1234 PolarHBondContact O-N 2.97Å; L1232-S1235 PolarHBondContact O-N 3.2Å; L1232-V1236 PolarHBondContact O-N 2.83Å
1233	Y	26.5	Very low	26.9	Very low	83 Å²	83	102 Å²	102	33%	0.325	56%	0.561	S	S	.	*	H	α-helix	trans	-59.5	-36	-179.7	-155.4	-74.7	0	0	0	113.3	N833 P835 S1235 T1237	N833-Y1233 HydrophobicContact CB-CD2 3.76Å; N833-Y1233 HydrophobicContact CB-CE2 3.82Å; P835-Y1233 HydrophobicContact CB-CE2 4.43Å; P835-Y1233 WeakPolarHBondContact CB-OH 3.16Å; P835-Y1233 HydrophobicContact CG-CE2 3.88Å; Y1233-S1235 VanDerWaalsContact C-N 3.33Å; Y1233-S1235 PolarHBondContact O-N 2.96Å; Y1233-T1237 HydrophobicContact CD1-CG2 3.97Å; Y1233-T1237 HydrophobicContact CE1-CG2 3.99Å; Y1233-T1237 WeakPolarHBondContact O-CG2 3.32Å; Y1233-T1237 PolarHBondContact O-N 2.99Å; Y1233-T1237 PolarHBondContact O-OG1 3.28Å
1234	A	26.7	Very low	27	Very low	54 Å²	54	100 Å²	100	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-73.8	-20.5	-177.7	0	0	0	0	0	114	L1232 N1238	L1232-A1234 VanDerWaalsContact C-N 3.31Å; L1232-A1234 PolarHBondContact O-N 2.97Å; A1234-N1238 PolarHBondContact O-ND2 3.45Å
1235	S	29.9	Very low	27.5	Very low	85 Å²	85	95.9 Å²	95.9	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-86.6	-41.9	176.8	-61.8	0	0	0	0	111.5	L1232 Y1233 T1237 N1238	L1232-S1235 PolarHBondContact O-N 3.2Å; Y1233-S1235 VanDerWaalsContact C-N 3.33Å; Y1233-S1235 PolarHBondContact O-N 2.96Å; S1235-T1237 VanDerWaalsContact C-N 3.35Å; S1235-T1237 PolarHBondContact O-N 3.29Å; S1235-N1238 PolarHBondContact O-N 3.38Å
1236	V	30.7	Very low	27.9	Very low	73 Å²	73	99.5 Å²	99.5	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-61.7	-42.2	177.2	176.6	0	0	0	0	111.4	L1232 N1238 L1239 M1240	L1232-V1236 PolarHBondContact O-N 2.83Å; V1236-N1238 PolarHBondContact O-N 2.95Å; V1236-N1238 VanDerWaalsContact O-N 3.16Å; V1236-L1239 PolarHBondContact O-N 2.89Å; V1236-M1240 HydrophobicContact CG1-CE 3.68Å; V1236-M1240 HydrophobicContact CG1-SD 4.26Å; V1236-M1240 WeakPolarHBondContact O-CG 3.46Å
1237	T	29.3	Very low	28	Very low	63 Å²	63	95.9 Å²	95.9	39%	0.387	53%	0.53	S	S	.	.	H	α-helix	trans	-69.4	-9.4	-178.2	45.3	0	0	0	0	115.3	Y1233 S1235	Y1233-T1237 HydrophobicContact CD1-CG2 3.97Å; Y1233-T1237 HydrophobicContact CE1-CG2 3.99Å; Y1233-T1237 WeakPolarHBondContact O-CG2 3.32Å; Y1233-T1237 PolarHBondContact O-N 2.99Å; Y1233-T1237 PolarHBondContact O-OG1 3.28Å; S1235-T1237 VanDerWaalsContact C-N 3.35Å; S1235-T1237 PolarHBondContact O-N 3.29Å
1238	N	27.1	Very low	28.3	Very low	129 Å²	129	94.9 Å²	94.9	69%	0.69	52%	0.518	S	S	*	.	H	α-helix	trans	-101.4	-8.9	175.7	-77	-65.3	0	0	0	114.2	A1234 S1235 V1236	A1234-N1238 PolarHBondContact O-ND2 3.45Å; S1235-N1238 PolarHBondContact O-N 3.38Å; V1236-N1238 PolarHBondContact O-N 2.95Å; V1236-N1238 VanDerWaalsContact O-N 3.16Å
1239	L	31.2	Very low	28.7	Very low	146 Å²	146	95.9 Å²	95.9	76%	0.764	53%	0.53	S	S	*	.	H	α-helix	trans	-91.8	-8.8	171.4	-116	73.1	0	0	0	113.4	V1236 N1241	V1236-L1239 PolarHBondContact O-N 2.89Å; L1239-N1241 VanDerWaalsContact C-N 3.28Å; L1239-N1241 PolarHBondContact O-N 3.31Å; L1239-N1241 VanDerWaalsContact O-N 3.11Å
1240	M	27.8	Very low	29	Very low	78 Å²	78	99.1 Å²	99.1	38%	0.384	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	27.6	-168.6	-78.8	179.9	160.5	0	0	115.8	R837 V1236	R837-M1240 PolarHBondContact NH2-SD 3.17Å; V1236-M1240 HydrophobicContact CG1-CE 3.68Å; V1236-M1240 HydrophobicContact CG1-SD 4.26Å; V1236-M1240 WeakPolarHBondContact O-CG 3.46Å
1241	N	26.2	Very low	29.2	Very low	46 Å²	46	98.7 Å²	98.7	25%	0.246	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-0.3	-177.4	-68.2	-31.3	0	0	0	115.4	N780 L1239	N780-N1241 WeakPolarHBondContact CB-OD1 3.48Å; L1239-N1241 VanDerWaalsContact C-N 3.28Å; L1239-N1241 PolarHBondContact O-N 3.31Å; L1239-N1241 VanDerWaalsContact O-N 3.11Å
1242	D	24.6	Very low	29.3	Very low	105 Å²	105	98.6 Å²	98.6	56%	0.561	54%	0.538	S	S	*	.	S	Bend	trans	-134.4	133.5	177.9	-98	-73.9	0	0	0	111.8	K147	K147-D1242 IonicContact NZ-OD1 2.65Å; K147-D1242 PolarHBondContact NZ-OD1 3.44Å
1243	D	30.7	Very low	29.5	Very low	80 Å²	80	100.9 Å²	100.9	43%	0.428	54%	0.538	S	S	.	.			trans	39.3	93.7	163.1	-56.7	-22.5	0	0	0	118.4	K147 S1245	K147-D1243 IonicContact NZ-OD1 2.67Å; K147-D1243 PolarHBondContact NZ-OD1 3.07Å; K147-D1243 IonicContact NZ-OD2 3Å; K147-D1243 PolarHBondContact NZ-OD2 3.16Å; D1243-S1245 PolarHBondContact O-N 3.05Å
1244	H	27.8	Very low	29.9	Very low	130 Å²	130	101.6 Å²	101.6	60%	0.602	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-55.7	-12.2	177.5	-85.1	-103.7	0	0	0	116.4	Q1246 M1247	H1244-Q1246 PolarHBondContact O-N 3.26Å; H1244-Q1246 VanDerWaalsContact O-N 3.17Å; H1244-M1247 PolarHBondContact O-N 2.99Å
1245	S	32.2	Very low	30.3	Very low	97 Å²	97	104.1 Å²	104.1	68%	0.678	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-69	-9.1	-177.4	56.8	0	0	0	0	114.8	D1243	D1243-S1245 PolarHBondContact O-N 3.05Å
1246	Q	32.3	Very low	30.3	Very low	145 Å²	145	106.3 Å²	106.3	68%	0.678	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-93	-5.8	179.1	-60	-170.7	33.9	0	0	114.1	H1244	H1244-Q1246 PolarHBondContact O-N 3.26Å; H1244-Q1246 VanDerWaalsContact O-N 3.17Å
1247	M	28.7	Very low	30.5	Very low	138 Å²	138	107.9 Å²	107.9	68%	0.68	56%	0.561	S	S	*	*	S	Bend	trans	-74.6	-36.5	-172.5	-145.8	178.2	83.8	0	0	113.3	H1244 L1250 A1251	H1244-M1247 PolarHBondContact O-N 2.99Å; M1247-L1250 PolarHBondContact O-N 3Å; M1247-A1251 PolarHBondContact O-N 3.25Å
1248	F	30.6	Very low	30.7	Very low	158 Å²	158	110.2 Å²	110.2	69%	0.693	58%	0.575	S	S	*	*	H	α-helix	trans	-62.4	-53.4	178.4	-79.3	-86.1	0	0	0	112	L1250 A1251 D1252	F1248-L1250 PolarHBondContact O-N 3.3Å; F1248-A1251 WeakPolarHBondContact O-CB 3.42Å; F1248-A1251 PolarHBondContact O-N 3.49Å; F1248-D1252 VanDerWaalsContact O-CG 3.29Å; F1248-D1252 PolarHBondContact O-N 3.07Å
1249	C	31.8	Very low	31	Very low	88 Å²	88	108.2 Å²	108.2	60%	0.595	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-8.8	-179.7	-53.3	0	0	0	0	115
1250	L	31.2	Very low	30.9	Very low	104 Å²	104	106.1 Å²	106.1	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-102.5	-32.5	174.6	-147.9	155.5	0	0	0	111.4	M1247 F1248 I1254	M1247-L1250 PolarHBondContact O-N 3Å; F1248-L1250 PolarHBondContact O-N 3.3Å; L1250-I1254 HydrophobicContact CD2-CD1 3.7Å; L1250-I1254 HydrophobicContact CD2-CG1 4.25Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.05Å; L1250-I1254 PolarHBondContact O-N 2.9Å
1251	A	30.8	Very low	31	Very low	47 Å²	47	113.4 Å²	113.4	39%	0.388	61%	0.605	S	S	.	*	H	α-helix	trans	-61.8	-48.4	166.2	0	0	0	0	0	111.2	M1247 F1248 R1253 I1254 I1255	M1247-A1251 PolarHBondContact O-N 3.25Å; F1248-A1251 WeakPolarHBondContact O-CB 3.42Å; F1248-A1251 PolarHBondContact O-N 3.49Å; A1251-R1253 VanDerWaalsContact C-N 3.28Å; A1251-R1253 PolarHBondContact O-N 3.1Å; A1251-I1254 PolarHBondContact O-N 3.42Å; A1251-I1255 WeakPolarHBondContact O-CG1 3.47Å; A1251-I1255 PolarHBondContact O-N 3.1Å
1252	D	30.7	Very low	31.3	Very low	93 Å²	93	116.8 Å²	116.8	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-55	-45.2	176.9	-60.9	-34.7	0	0	0	111	F1248 I1254 I1255 E1256	F1248-D1252 VanDerWaalsContact O-CG 3.29Å; F1248-D1252 PolarHBondContact O-N 3.07Å; D1252-I1254 PolarHBondContact O-N 3.43Å; D1252-I1255 PolarHBondContact O-N 2.96Å; D1252-E1256 WeakPolarHBondContact O-CB 3.37Å; D1252-E1256 PolarHBondContact O-N 3.04Å
1253	R	32.6	Very low	31.6	Very low	176 Å²	176	117.4 Å²	117.4	66%	0.664	63%	0.627	S	S	*	*	H	α-helix	trans	-70.9	-23.4	178	-85.9	-175.1	161	-179.6	-1.6	115.2	A1251 V1257	A1251-R1253 VanDerWaalsContact C-N 3.28Å; A1251-R1253 PolarHBondContact O-N 3.1Å; R1253-V1257 VanDerWaalsContact O-CG2 3.27Å; R1253-V1257 WeakPolarHBondContact O-CG2 3.28Å; R1253-V1257 PolarHBondContact O-N 3.3Å
1254	I	34.8	Very low	31.7	Very low	99 Å²	99	119.5 Å²	119.5	51%	0.508	64%	0.638	S	S	.	*	H	α-helix	trans	-77	-39.6	171.3	-73.2	169.5	0	0	0	109.4	L1250 A1251 D1252 V1257 V1258	L1250-I1254 HydrophobicContact CD2-CD1 3.7Å; L1250-I1254 HydrophobicContact CD2-CG1 4.25Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.05Å; L1250-I1254 PolarHBondContact O-N 2.9Å; A1251-I1254 PolarHBondContact O-N 3.42Å; D1252-I1254 PolarHBondContact O-N 3.43Å; I1254-V1257 PolarHBondContact O-N 3.3Å; I1254-V1258 HydrophobicContact CG2-CG2 4.34Å; I1254-V1258 WeakPolarHBondContact O-CB 3.32Å; I1254-V1258 VanDerWaalsContact O-CG2 3.28Å; I1254-V1258 WeakPolarHBondContact O-CG2 3.4Å; I1254-V1258 PolarHBondContact O-N 3.29Å
1255	I	34.8	Very low	31.9	Very low	106 Å²	106	118.9 Å²	118.9	54%	0.544	64%	0.64	S	S	.	*	H	α-helix	trans	-64.5	-41.8	174.1	-65.4	165.8	0	0	0	110.6	A1251 D1252 V1257 V1258 S1259	A1251-I1255 WeakPolarHBondContact O-CG1 3.47Å; A1251-I1255 PolarHBondContact O-N 3.1Å; D1252-I1255 PolarHBondContact O-N 2.96Å; I1255-V1257 VanDerWaalsContact C-N 3.28Å; I1255-V1257 PolarHBondContact O-N 3.08Å; I1255-V1258 PolarHBondContact O-N 3.26Å; I1255-S1259 VanDerWaalsContact O-CB 3.29Å; I1255-S1259 WeakPolarHBondContact O-CB 3.38Å; I1255-S1259 PolarHBondContact O-N 3.14Å; I1255-S1259 PolarHBondContact O-OG 3.42Å
1256	E	31.1	Very low	31.9	Very low	132 Å²	132	120.3 Å²	120.3	62%	0.617	64%	0.637	S	S	*	*	H	α-helix	trans	-61.7	-32.5	176.7	-166	177.2	-142.2	0	0	112.6	D1252	D1252-E1256 WeakPolarHBondContact O-CB 3.37Å; D1252-E1256 PolarHBondContact O-N 3.04Å
1257	V	34.7	Very low	31.9	Very low	105 Å²	105	118.6 Å²	118.6	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-87.5	-28.3	177.8	170.2	0	0	0	0	113	R1253 I1254 I1255 T1260	R1253-V1257 VanDerWaalsContact O-CG2 3.27Å; R1253-V1257 WeakPolarHBondContact O-CG2 3.28Å; R1253-V1257 PolarHBondContact O-N 3.3Å; I1254-V1257 PolarHBondContact O-N 3.3Å; I1255-V1257 VanDerWaalsContact C-N 3.28Å; I1255-V1257 PolarHBondContact O-N 3.08Å; V1257-T1260 PolarHBondContact O-OG1 3.07Å
1258	V	33.4	Very low	32.1	Very low	112 Å²	112	117.2 Å²	117.2	68%	0.679	63%	0.632	S	S	*	*	H	α-helix	trans	-84.6	-14.2	176.2	173	0	0	0	0	112.1	I1254 I1255 T1260	I1254-V1258 HydrophobicContact CG2-CG2 4.34Å; I1254-V1258 WeakPolarHBondContact O-CB 3.32Å; I1254-V1258 VanDerWaalsContact O-CG2 3.28Å; I1254-V1258 WeakPolarHBondContact O-CG2 3.4Å; I1254-V1258 PolarHBondContact O-N 3.29Å; I1255-V1258 PolarHBondContact O-N 3.26Å; V1258-T1260 VanDerWaalsContact C-N 3.26Å; V1258-T1260 PolarHBondContact O-N 2.85Å
1259	S	33.3	Very low	32.2	Very low	88 Å²	88	114.1 Å²	114.1	62%	0.615	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	12.3	174.2	-54.2	0	0	0	0	113.7	I1255	I1255-S1259 VanDerWaalsContact O-CB 3.29Å; I1255-S1259 WeakPolarHBondContact O-CB 3.38Å; I1255-S1259 PolarHBondContact O-N 3.14Å; I1255-S1259 PolarHBondContact O-OG 3.42Å
1260	T	29.9	Very low	32.3	Very low	102 Å²	102	116.3 Å²	116.3	63%	0.626	63%	0.63	S	S	*	*			trans	-135.3	50.4	179.5	64	0	0	0	0	113.3	V1257 V1258	V1257-T1260 PolarHBondContact O-OG1 3.07Å; V1258-T1260 VanDerWaalsContact C-N 3.26Å; V1258-T1260 PolarHBondContact O-N 2.85Å
1261	D	29.8	Very low	32.4	Very low	231 Å²	231	117.4 Å²	117.4	100%	1.235	64%	0.637	S	S	*	*			trans	-145.5	0	158.6	-98.8	-32.5	0	0	0	108.9

Retrieved 1,261 of 1,261 residues in 334.1 ms (Link to these results)

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