A0A096NCE5_PAPAN Loading...

Nuclear receptor coactivator 7

AlphaFold DB , UniProt , Accession A0A096NCE5, Species PAPAN (Papio anubis, Olive baboon), Gene NCOA7, Length 942 aa.

						>A0A096NCE5_PAPAN|A0A096NCE5|NCOA7
MDTKEEKKERKQSYFARLKKKKQAKQNAETASAMATRTHTGKEDANTVVLEPDKCNIAVEEEYMTDEKKKRKSNQLKEIRRTELKRYYSIDDNQNKTHDKKEKKMVVQKPHGTMEYTAGNQDTLNSIALKFNITPNKLVELNKLFTHTIVPGQVLFVPDANSPSSTLRLSSSSPGATVSPSSSDAEYDKLPDADLARKALKPIERVLSSTSEEDEPGVVKFLKMNCRYFTDGKGVVGGVMIVTPNNIMFDPHKSDPLVIENGCEEYGLICPMEEVVSIALYNDISHMKIKDALPSDLPQDLCPLYRPGEWEDLASEKDINPFSKFKSINKEKRQQNGEKIMTSDSRPTVPLEKSTEHTPTKPSGSSVSEKLKKLESSRETSHGSPTVTKLSKEPSNTSAAFESTAKENFLGEDDDFVDLEELSSQTDGGMDKKDTSKECLSLDPEERKKVESQINNSAVEMQVQSALAFLGTENDVELKGALDLETCEKQDIMPEVDKQSGSPESRVENTLNIHEDLDKVKLIEYYLNKNKEGSQVSENLQKTELSDGKSIEPGGIDITLSSSLSQAGNPLTEGNKEPDKTCVKEREPLPVKLNSSTEENVIKEALDSSLESTLDNSCQGAQMDNKSEVQLWLLKRIQVPIEDILPSKAEKSKTPPMFLCIKVGKPMRKSFATHTAAMVQQYGKRRKQPEYWFAVPRERVDHLYTFFVQWSPDVYGKDAKEQGFVVVEKEELNMIDNFFSEPTTKSWEIITVEEAKRRKSTCSYYEDEDEEVLPVLRPHSALLENMHIEQLARRLPARVQGYPWRLAYSTLEHGTSLKTLYRKSASLDSPVLLVIKDMDNQIFGAYATHPFKFSDHYYGTGETFLYTFSPHFKVFKWSGENSYFINGDISSLELGGGGGRFGLWLDADLYHGRSNSCSTFNNDILSKKEDFIVQDLEVWAFE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	47.7	Very low	230 Å²	230	142.5 Å²	142.5	100%	1.133	66%	0.659	S	S	*	*				0	94.7	0	-96.8	-153.3	-169.2	0	0	105.8
2	D	37.5	Very low	47.5	Very low	96 Å²	96	142.3 Å²	142.3	51%	0.513	66%	0.659	S	S	.	*			trans	-98.1	131.6	-153.2	-47.2	-4	0	0	0	109
3	T	55	Low	48.3	Very low	98 Å²	98	136 Å²	136	60%	0.601	64%	0.641	S	S	*	*			trans	-72.5	162.8	-162.4	62.2	0	0	0	0	112.7	E5 E6	T3-E5 PolarHBondContact O-N 2.8Å; T3-E5 VanDerWaalsContact O-N 3.11Å; T3-E6 PolarHBondContact O-N 3.38Å
4	K	49.1	Very low	48.8	Very low	195 Å²	195	136.8 Å²	136.8	85%	0.848	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	-169.2	-137.6	170.8	-173.7	174.1	0	113.7
5	E	45.3	Very low	49.7	Very low	156 Å²	156	136.9 Å²	136.9	73%	0.729	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-39.4	179.7	-62	-166.2	110.5	0	0	112.8	T3 K7 K8 E9	T3-E5 PolarHBondContact O-N 2.8Å; T3-E5 VanDerWaalsContact O-N 3.11Å; E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 3.29Å; E5-K8 WeakPolarHBondContact O-CA 3.42Å; E5-K8 WeakPolarHBondContact O-CB 3.43Å; E5-K8 PolarHBondContact O-N 3.24Å; E5-E9 PolarHBondContact O-N 3.04Å
6	E	46.8	Very low	50.5	Low	73 Å²	73	132.3 Å²	132.3	34%	0.341	63%	0.627	S	S	.	*	H	α-helix	trans	-63.2	-36.1	179.2	-153.7	-163.1	163.5	0	0	111.4	T3 K8 E9 R10	T3-E6 PolarHBondContact O-N 3.38Å; E6-K8 PolarHBondContact O-N 2.84Å; E6-E9 PolarHBondContact O-N 2.97Å; E6-R10 WeakPolarHBondContact O-CB 3.28Å; E6-R10 VanDerWaalsContact O-CG 3.3Å; E6-R10 WeakPolarHBondContact O-CG 3.49Å; E6-R10 PolarHBondContact O-N 3.34Å; E6-R10 IonicContact OE1-CZ 2.74Å; E6-R10 IonicContact OE1-NE 3.8Å; E6-R10 PolarHBondContact OE1-NE 3.09Å; E6-R10 IonicContact OE1-NH2 3.28Å; E6-R10 PolarHBondContact OE1-NH2 3Å; E6-R10 IonicContact OE2-NH2 3.53Å
7	K	52.7	Low	51.4	Low	133 Å²	133	135.8 Å²	135.8	58%	0.578	63%	0.633	S	S	*	*	H	α-helix	trans	-66.5	-14.8	171.4	-71	-175.9	177.6	178.3	0	114	E5 K11	E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 3.29Å; K7-K11 WeakPolarHBondContact O-CD 3.25Å; K7-K11 VanDerWaalsContact O-CG 3.32Å; K7-K11 WeakPolarHBondContact O-CG 3.41Å
8	K	49.9	Very low	52	Low	150 Å²	150	133.2 Å²	133.2	65%	0.652	62%	0.624	S	S	*	*	H	α-helix	trans	-90	-43.7	175.4	-164.7	-178.3	179	-172.5	0	110.8	E5 E6 K11 Q12	E5-K8 WeakPolarHBondContact O-CA 3.42Å; E5-K8 WeakPolarHBondContact O-CB 3.43Å; E5-K8 PolarHBondContact O-N 3.24Å; E6-K8 PolarHBondContact O-N 2.84Å; K8-K11 WeakPolarHBondContact O-CB 3.25Å; K8-K11 PolarHBondContact O-N 3.27Å; K8-Q12 PolarHBondContact O-N 3.15Å; K8-Q12 VanDerWaalsContact O-N 3.13Å
9	E	45.6	Very low	52.7	Low	138 Å²	138	134.6 Å²	134.6	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-67.2	-46.8	177	-173.1	171.3	-152.7	0	0	112.2	E5 E6 K11 Q12 S13	E5-E9 PolarHBondContact O-N 3.04Å; E6-E9 PolarHBondContact O-N 2.97Å; E9-K11 PolarHBondContact O-N 2.73Å; E9-K11 VanDerWaalsContact O-N 3.15Å; E9-Q12 PolarHBondContact O-N 3.23Å; E9-S13 PolarHBondContact O-N 3.49Å
10	R	52.4	Low	53.5	Low	151 Å²	151	136.1 Å²	136.1	57%	0.57	63%	0.632	S	S	*	*	H	α-helix	trans	-55.3	-34	173.3	-69.9	179.5	-177	-165	7.8	111.8	E6 Y14	E6-R10 WeakPolarHBondContact O-CB 3.28Å; E6-R10 VanDerWaalsContact O-CG 3.3Å; E6-R10 WeakPolarHBondContact O-CG 3.49Å; E6-R10 PolarHBondContact O-N 3.34Å; E6-R10 IonicContact OE1-CZ 2.74Å; E6-R10 IonicContact OE1-NE 3.8Å; E6-R10 PolarHBondContact OE1-NE 3.09Å; E6-R10 IonicContact OE1-NH2 3.28Å; E6-R10 PolarHBondContact OE1-NH2 3Å; E6-R10 IonicContact OE2-NH2 3.53Å; R10-Y14 PolarHBondContact O-N 3.18Å; R10-Y14 VanDerWaalsContact O-N 3.14Å
11	K	50.9	Low	54.3	Low	147 Å²	147	137.6 Å²	137.6	64%	0.639	64%	0.636	S	S	*	*	H	α-helix	trans	-71	-41.3	174.5	-79.3	-177.9	178	-171.6	0	113.3	K7 K8 E9 Y14 F15	K7-K11 WeakPolarHBondContact O-CD 3.25Å; K7-K11 VanDerWaalsContact O-CG 3.32Å; K7-K11 WeakPolarHBondContact O-CG 3.41Å; K8-K11 WeakPolarHBondContact O-CB 3.25Å; K8-K11 PolarHBondContact O-N 3.27Å; E9-K11 PolarHBondContact O-N 2.73Å; E9-K11 VanDerWaalsContact O-N 3.15Å; K11-Y14 PolarHBondContact O-N 2.87Å; K11-F15 WeakPolarHBondContact O-CD2 3.37Å; K11-F15 PolarHBondContact O-N 3.21Å
12	Q	46	Very low	55.3	Low	140 Å²	140	134.1 Å²	134.1	65%	0.654	62%	0.615	S	S	*	*	H	α-helix	trans	-64.6	-40.9	174.3	-81.1	-177.7	-49.6	0	0	112	K8 E9 Y14 F15 A16	K8-Q12 PolarHBondContact O-N 3.15Å; K8-Q12 VanDerWaalsContact O-N 3.13Å; E9-Q12 PolarHBondContact O-N 3.23Å; Q12-Y14 VanDerWaalsContact C-N 3.31Å; Q12-Y14 PolarHBondContact O-N 2.83Å; Q12-F15 PolarHBondContact O-N 3.18Å; Q12-A16 PolarHBondContact O-N 3.25Å
13	S	57.2	Low	56.3	Low	61 Å²	61	135.4 Å²	135.4	43%	0.427	62%	0.618	S	S	.	*	H	α-helix	trans	-59	-40.2	174.8	-173.7	0	0	0	0	112.5	E9 A16 R17	E9-S13 PolarHBondContact O-N 3.49Å; S13-A16 PolarHBondContact O-N 2.86Å; S13-R17 PolarHBondContact O-N 3.42Å
14	Y	55.4	Low	56.5	Low	147 Å²	147	133.6 Å²	133.6	58%	0.576	61%	0.613	S	S	*	*	H	α-helix	trans	-60.7	-49.8	175.2	-175.2	-100.5	0	0	0	112.7	R10 K11 Q12 A16 R17 L18	R10-Y14 PolarHBondContact O-N 3.18Å; R10-Y14 VanDerWaalsContact O-N 3.14Å; K11-Y14 PolarHBondContact O-N 2.87Å; Q12-Y14 VanDerWaalsContact C-N 3.31Å; Q12-Y14 PolarHBondContact O-N 2.83Å; Y14-A16 VanDerWaalsContact C-N 3.34Å; Y14-A16 PolarHBondContact O-N 3.19Å; Y14-R17 PolarHBondContact O-N 3.13Å; Y14-L18 HydrophobicContact CE1-CD1 3.98Å; Y14-L18 HydrophobicContact CE2-CD1 4.48Å; Y14-L18 PolarHBondContact O-N 3.19Å
15	F	62.4	Low	57	Low	139 Å²	139	130.8 Å²	130.8	61%	0.61	60%	0.601	S	S	*	*	H	α-helix	trans	-65.1	-34.7	177.8	-79	-71.6	0	0	0	113	K11 Q12 L18 K19	K11-F15 WeakPolarHBondContact O-CD2 3.37Å; K11-F15 PolarHBondContact O-N 3.21Å; Q12-F15 PolarHBondContact O-N 3.18Å; F15-L18 PolarHBondContact O-N 2.85Å; F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 2.96Å
16	A	63.3	Low	57.3	Low	63 Å²	63	129 Å²	129	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-62.8	-45.3	173.2	0	0	0	0	0	111.8	Q12 S13 Y14 K19 K20	Q12-A16 PolarHBondContact O-N 3.25Å; S13-A16 PolarHBondContact O-N 2.86Å; Y14-A16 VanDerWaalsContact C-N 3.34Å; Y14-A16 PolarHBondContact O-N 3.19Å; A16-K19 PolarHBondContact O-N 3.37Å; A16-K20 WeakPolarHBondContact O-CB 3.45Å; A16-K20 PolarHBondContact O-N 3.32Å
17	R	65.8	Low	57.1	Low	191 Å²	191	130.6 Å²	130.6	72%	0.721	60%	0.603	S	S	*	*	H	α-helix	trans	-62.3	-42.1	174.1	-75.4	-179.7	171.7	-173.6	-2.5	112.1	S13 Y14 K19 K20 K21	S13-R17 PolarHBondContact O-N 3.42Å; Y14-R17 PolarHBondContact O-N 3.13Å; R17-K19 PolarHBondContact O-N 3.35Å; R17-K20 PolarHBondContact O-N 2.83Å; R17-K21 WeakPolarHBondContact O-CB 3.36Å; R17-K21 PolarHBondContact O-N 2.78Å
18	L	62.5	Low	57	Low	89 Å²	89	127.1 Å²	127.1	47%	0.466	60%	0.599	S	S	.	*	H	α-helix	trans	-61.7	-44.4	177.1	-135	84.7	0	0	0	111.9	Y14 F15 K21 K22	Y14-L18 HydrophobicContact CE1-CD1 3.98Å; Y14-L18 HydrophobicContact CE2-CD1 4.48Å; Y14-L18 PolarHBondContact O-N 3.19Å; F15-L18 PolarHBondContact O-N 2.85Å; L18-K21 PolarHBondContact O-N 2.89Å; L18-K22 PolarHBondContact O-N 3.24Å
19	K	65.4	Low	56.8	Low	161 Å²	161	125.4 Å²	125.4	70%	0.7	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-43.1	178.6	-160.2	173.9	-175.2	-178.7	0	111.4	F15 A16 R17 K22 Q23	F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 2.96Å; A16-K19 PolarHBondContact O-N 3.37Å; R17-K19 PolarHBondContact O-N 3.35Å; K19-K22 PolarHBondContact O-N 2.83Å; K19-Q23 WeakPolarHBondContact O-CB 3.42Å; K19-Q23 PolarHBondContact O-N 3.16Å
20	K	68.6	Low	56.7	Low	164 Å²	164	123.2 Å²	123.2	71%	0.713	59%	0.59	S	S	*	*	H	α-helix	trans	-63.6	-40.4	175	-163.3	172.3	-175.5	178.1	0	112.1	A16 R17 Q23 A24	A16-K20 WeakPolarHBondContact O-CB 3.45Å; A16-K20 PolarHBondContact O-N 3.32Å; R17-K20 PolarHBondContact O-N 2.83Å; K20-Q23 PolarHBondContact O-N 3.04Å; K20-A24 WeakPolarHBondContact O-CB 3.32Å; K20-A24 PolarHBondContact O-N 2.93Å
21	K	68.6	Low	56.2	Low	167 Å²	167	119.3 Å²	119.3	73%	0.726	59%	0.59	S	S	*	*	H	α-helix	trans	-66.3	-39.3	175.8	-168.3	172.4	-176.6	176.9	0	112.4	R17 L18 K25	R17-K21 WeakPolarHBondContact O-CB 3.36Å; R17-K21 PolarHBondContact O-N 2.78Å; L18-K21 PolarHBondContact O-N 2.89Å; K21-K25 PolarHBondContact O-N 3.06Å; K21-K25 VanDerWaalsContact O-N 3.13Å
22	K	61	Low	55.7	Low	158 Å²	158	117 Å²	117	69%	0.687	59%	0.592	S	S	*	*	H	α-helix	trans	-64.4	-44.8	174.7	-171.8	172.3	-178.1	175.5	0	111.8	L18 K19 K25 Q26	L18-K22 PolarHBondContact O-N 3.24Å; K19-K22 PolarHBondContact O-N 2.83Å; K22-K25 PolarHBondContact O-N 3.31Å; K22-Q26 PolarHBondContact O-N 2.94Å; K22-Q26 VanDerWaalsContact O-N 3.08Å
23	Q	58.5	Low	55.5	Low	123 Å²	123	114.2 Å²	114.2	58%	0.575	59%	0.593	S	S	*	*	H	α-helix	trans	-67.6	-37.6	179.6	-162.7	167.4	8.4	0	0	112.3	K19 K20 Q26 N27	K19-Q23 WeakPolarHBondContact O-CB 3.42Å; K19-Q23 PolarHBondContact O-N 3.16Å; K20-Q23 PolarHBondContact O-N 3.04Å; Q23-Q26 PolarHBondContact O-N 2.7Å; Q23-N27 PolarHBondContact O-N 2.86Å; Q23-N27 PolarHBondContact O-OD1 3.08Å
24	A	59.8	Low	54.5	Low	60 Å²	60	119.5 Å²	119.5	50%	0.496	61%	0.613	S	S	.	*	H	α-helix	trans	-62	-42.9	172.6	0	0	0	0	0	112.6	K20 N27 A28	K20-A24 WeakPolarHBondContact O-CB 3.32Å; K20-A24 PolarHBondContact O-N 2.93Å; A24-N27 PolarHBondContact O-N 3.04Å; A24-A28 PolarHBondContact O-N 3.16Å; A24-A28 VanDerWaalsContact O-N 3.08Å
25	K	59.1	Low	53.5	Low	135 Å²	135	116.5 Å²	116.5	59%	0.587	62%	0.618	S	S	*	*	H	α-helix	trans	-64.2	-42	177.3	-165.1	-177.8	-178.3	-158.9	0	112	K21 K22 N27 A28 E29	K21-K25 PolarHBondContact O-N 3.06Å; K21-K25 VanDerWaalsContact O-N 3.13Å; K22-K25 PolarHBondContact O-N 3.31Å; K25-N27 VanDerWaalsContact C-N 3.34Å; K25-N27 PolarHBondContact O-N 2.67Å; K25-A28 PolarHBondContact O-N 3.33Å; K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 IonicContact NZ-OE1 2.64Å; K25-E29 PolarHBondContact NZ-OE1 3.32Å; K25-E29 PolarHBondContact O-N 2.88Å
26	Q	51.5	Low	52.2	Low	118 Å²	118	116 Å²	116	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-65.8	-35.9	179.7	-158.3	166.3	4.8	0	0	112.1	K22 Q23 T30	K22-Q26 PolarHBondContact O-N 2.94Å; K22-Q26 VanDerWaalsContact O-N 3.08Å; Q23-Q26 PolarHBondContact O-N 2.7Å; Q26-T30 PolarHBondContact O-N 3.34Å; Q26-T30 PolarHBondContact O-OG1 2.95Å
27	N	43.6	Very low	50.5	Low	107 Å²	107	124.4 Å²	124.4	57%	0.572	65%	0.645	S	S	*	*	H	α-helix	trans	-68.3	-36.9	172.3	-72.9	11.6	0	0	0	112.5	Q23 A24 K25 T30 A31	Q23-N27 PolarHBondContact O-N 2.86Å; Q23-N27 PolarHBondContact O-OD1 3.08Å; A24-N27 PolarHBondContact O-N 3.04Å; K25-N27 VanDerWaalsContact C-N 3.34Å; K25-N27 PolarHBondContact O-N 2.67Å; N27-T30 PolarHBondContact O-N 2.84Å; N27-A31 PolarHBondContact O-N 3Å
28	A	48.7	Very low	48.7	Very low	60 Å²	60	121.3 Å²	121.3	50%	0.496	65%	0.648	S	S	.	*	H	α-helix	trans	-66.5	-42.6	176.7	0	0	0	0	0	112.6	A24 K25 T30 A31 S32	A24-A28 PolarHBondContact O-N 3.16Å; A24-A28 VanDerWaalsContact O-N 3.08Å; K25-A28 PolarHBondContact O-N 3.33Å; A28-T30 PolarHBondContact O-N 3.32Å; A28-A31 PolarHBondContact O-N 3.14Å; A28-S32 PolarHBondContact O-N 2.82Å
29	E	46.1	Very low	47.1	Very low	115 Å²	115	125.6 Å²	125.6	54%	0.537	67%	0.665	S	S	.	*	H	α-helix	trans	-63.4	-31.4	174	-73.4	166.9	169.9	0	0	111.7	K25	K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 IonicContact NZ-OE1 2.64Å; K25-E29 PolarHBondContact NZ-OE1 3.32Å; K25-E29 PolarHBondContact O-N 2.88Å
30	T	43.7	Very low	45.3	Very low	92 Å²	92	124.4 Å²	124.4	56%	0.564	67%	0.672	S	S	*	*	H	α-helix	trans	-74.2	-36.9	175.7	-49.3	0	0	0	0	112.6	Q26 N27 A28 A33	Q26-T30 PolarHBondContact O-N 3.34Å; Q26-T30 PolarHBondContact O-OG1 2.95Å; N27-T30 PolarHBondContact O-N 2.84Å; A28-T30 PolarHBondContact O-N 3.32Å; T30-A33 PolarHBondContact O-N 3.35Å
31	A	41.7	Very low	43.3	Very low	69 Å²	69	120 Å²	120	57%	0.57	67%	0.672	S	S	*	*	H	α-helix	trans	-68	-37.1	179.1	0	0	0	0	0	113	N27 A28 A33 M34	N27-A31 PolarHBondContact O-N 3Å; A28-A31 PolarHBondContact O-N 3.14Å; A31-A33 PolarHBondContact O-N 2.92Å; A31-M34 PolarHBondContact O-N 2.9Å
32	S	42	Very low	41.5	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	68%	0.675	S	S	*	*	H	α-helix	trans	-63.8	-23.6	178.9	-164.2	0	0	0	0	113.4	A28 M34	A28-S32 PolarHBondContact O-N 2.82Å; S32-M34 PolarHBondContact O-N 3.42Å
33	A	39.8	Very low	39.9	Very low	81 Å²	81	119.6 Å²	119.6	67%	0.669	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-7.2	-176.6	0	0	0	0	0	115.1	T30 A31	T30-A33 PolarHBondContact O-N 3.35Å; A31-A33 PolarHBondContact O-N 2.92Å
34	M	36.9	Very low	38.4	Very low	172 Å²	172	121.2 Å²	121.2	85%	0.847	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	1	-178.8	-80.6	-174.5	61.4	0	0	114.8	A31 S32	A31-M34 PolarHBondContact O-N 2.9Å; S32-M34 PolarHBondContact O-N 3.42Å
35	A	35.8	Very low	37	Very low	83 Å²	83	121.6 Å²	121.6	69%	0.686	69%	0.688	S	S	*	*			trans	-100.1	35	-171.5	0	0	0	0	0	114.8
36	T	33.3	Very low	35.4	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	70%	0.698	S	S	*	*	S	Bend	trans	-140.8	139.3	167.5	50.4	0	0	0	0	112.5
37	R	28.5	Very low	34.3	Very low	240 Å²	240	122 Å²	122	91%	0.906	71%	0.705	S	S	*	*			trans	71.5	74.4	175.1	-61.7	-177.5	166.8	-173.6	-3.9	118.9
38	T	27	Very low	33.5	Very low	127 Å²	127	123.1 Å²	123.1	78%	0.779	72%	0.716	S	S	*	*				-162.8	151	110.6	28.2	0	0	0	0	107.2
39	H	29.3	Very low	32.5	Very low	178 Å²	178	125.5 Å²	125.5	82%	0.824	72%	0.724	S	S	*	*			cis	-133.2	157.8	31.8	-90.1	-102	0	0	0	114.7
40	T	27.3	Very low	31.5	Very low	137 Å²	137	127 Å²	127	84%	0.84	73%	0.734	S	S	*	*			trans	-86.6	149.1	152.7	46.9	0	0	0	0	110
41	G	27.9	Very low	30.7	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	75%	0.745	S	S	*	*			trans	-131.9	142	174.6	0	0	0	0	0	113.1
42	K	31	Very low	30.4	Very low	180 Å²	180	131.9 Å²	131.9	78%	0.783	75%	0.747	S	S	*	*			trans	165.2	158.5	175.1	-101.6	158.7	161.2	-83.4	0	107.5
43	E	27.3	Very low	29.5	Very low	137 Å²	137	132.7 Å²	132.7	64%	0.64	74%	0.744	S	S	*	*			cis	-109	-176.5	-13.8	-105.4	90.3	-147	0	0	108.4
44	D	26.5	Very low	29	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	75%	0.747	S	S	*	*			cis	-157.6	164.6	38.4	-89.4	-55.8	0	0	0	109.1
45	A	30.1	Very low	28.3	Very low	68 Å²	68	133 Å²	133	56%	0.562	74%	0.736	S	S	*	*			cis	-169.1	170.2	-15	0	0	0	0	0	110.2
46	N	26.8	Very low	27.7	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	75%	0.745	S	S	*	*			trans	68.3	141	157.7	-68.1	-18.4	0	0	0	119
47	T	27.3	Very low	27.2	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.693	74%	0.744	S	S	*	*			cis	-162.9	151.5	-1.4	-0.6	0	0	0	0	112.3
48	V	26.9	Very low	27.3	Very low	131 Å²	131	131 Å²	131	79%	0.794	74%	0.739	S	S	*	*			trans	65.8	137.4	143.4	148.3	0	0	0	0	119.7
49	V	27	Very low	27.2	Very low	110 Å²	110	130.1 Å²	130.1	67%	0.667	73%	0.733	S	S	*	*			cis	-171.1	165.6	-8.6	71.8	0	0	0	0	112.6
50	L	26	Very low	27	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	73%	0.731	S	S	*	*			trans	65.7	125.6	167.5	-59.3	174.2	0	0	0	117.2
51	E	25.8	Very low	26.9	Very low	169 Å²	169	131.8 Å²	131.8	79%	0.79	73%	0.732	S	S	*	*			cis	84.1	142.4	49.6	-77.3	-114.3	127.3	0	0	114.9
52	P	36.7	Very low	26.8	Very low	95 Å²	95	135.5 Å²	135.5	62%	0.617	73%	0.73	S	S	*	*			cis	-140.3	-156	-24.6	41	-21.3	0	0	0	113.9
53	D	23	Very low	26.4	Very low	116 Å²	116	135.6 Å²	135.6	62%	0.62	73%	0.727	S	S	*	*			trans	79.4	109.6	165.5	-75.6	11	0	0	0	119.5
54	K	28.4	Very low	26.3	Very low	168 Å²	168	135.5 Å²	135.5	73%	0.73	73%	0.728	S	S	*	*				82.3	142.2	83	-75.2	-171.1	-160.8	85.8	0	112.4
55	C	22.6	Very low	26.3	Very low	93 Å²	93	133.4 Å²	133.4	63%	0.628	72%	0.721	S	S	*	*			cis	-151.9	155.1	7.9	-143.5	0	0	0	0	112
56	N	22.7	Very low	26	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	73%	0.725	S	S	*	*			trans	-114.8	146.6	145.8	-99.6	-30.7	0	0	0	106.8
57	I	24	Very low	25.9	Very low	147 Å²	147	135.8 Å²	135.8	75%	0.754	72%	0.72	S	S	*	*			trans	-120.5	118.2	175.6	-62.8	179.5	0	0	0	109.2	V59	I57-V59 HydrophobicContact CG2-CG2 4.32Å
58	A	29.6	Very low	25.8	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	71%	0.713	S	S	*	*			trans	-144.6	130.2	159.9	0	0	0	0	0	107
59	V	26	Very low	25.9	Very low	110 Å²	110	140.1 Å²	140.1	67%	0.667	72%	0.718	S	S	*	*			trans	-153.5	143.2	-170.6	177.5	0	0	0	0	106.9	I57	I57-V59 HydrophobicContact CG2-CG2 4.32Å
60	E	24.9	Very low	25.9	Very low	167 Å²	167	144.3 Å²	144.3	78%	0.78	73%	0.728	S	S	*	*			cis	-88.5	-135.1	-5.4	-144.2	75	-113.3	0	0	109.4
61	E	24.4	Very low	26.1	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	73%	0.734	S	S	*	*			cis	-148.9	-160.8	1.8	-151.4	-178.9	-111	0	0	109.2
62	E	25.5	Very low	26.1	Very low	149 Å²	149	150.4 Å²	150.4	70%	0.696	74%	0.739	S	S	*	*			trans	-130.5	170.8	-163	-61.7	-163.8	129.3	0	0	112.3
63	Y	23.7	Very low	25.6	Very low	182 Å²	182	151.4 Å²	151.4	71%	0.714	75%	0.748	S	S	*	*			cis	-161.3	149.6	-14.7	-124.3	-144.8	0	0	0	110.2
64	M	24.8	Very low	25.7	Very low	135 Å²	135	153.1 Å²	153.1	67%	0.665	76%	0.757	S	S	*	*				45.3	145.4	130	-55.6	-70.2	-85.8	0	0	122.2
65	T	25	Very low	25.6	Very low	113 Å²	113	154 Å²	154	69%	0.693	76%	0.764	S	S	*	*			cis	-171.2	174.3	-4.8	14.3	0	0	0	0	114.6
66	D	25.3	Very low	26	Very low	118 Å²	118	157 Å²	157	63%	0.631	77%	0.773	S	S	*	*			trans	95.4	89.8	141.9	-130.5	53.3	0	0	0	122.3	K68	D66-K68 IonicContact OD1-NZ 3.52Å; D66-K68 IonicContact OD2-NZ 2.86Å; D66-K68 PolarHBondContact OD2-NZ 2.88Å
67	E	24.1	Very low	26.6	Very low	149 Å²	149	158.1 Å²	158.1	70%	0.696	77%	0.77	S	S	*	*				56.7	162.2	113.4	-89.6	-69.6	113.3	0	0	125.6
68	K	25.9	Very low	26.7	Very low	127 Å²	127	159.6 Å²	159.6	55%	0.552	77%	0.773	S	S	*	*			trans	64.9	99.5	158.9	-64.6	136.8	-152.7	149.1	0	120.3	D66	D66-K68 IonicContact OD1-NZ 3.52Å; D66-K68 IonicContact OD2-NZ 2.86Å; D66-K68 PolarHBondContact OD2-NZ 2.88Å
69	K	28.6	Very low	26.8	Very low	208 Å²	208	161.3 Å²	161.3	90%	0.904	77%	0.768	S	S	*	*				176.7	145.5	96.2	-96.9	149	-172.6	162.5	0	116.6
70	K	27.7	Very low	26.9	Very low	198 Å²	198	166.8 Å²	166.8	86%	0.861	78%	0.777	S	S	*	*			trans	-80.3	144.2	166.6	-73.8	172.5	173	168.1	0	112.8
71	R	28.3	Very low	27.1	Very low	238 Å²	238	169.7 Å²	169.7	90%	0.898	78%	0.781	S	S	*	*			trans	-176.7	118.3	136.9	-94.9	147.3	-167.9	-147.4	2.8	108.6
72	K	27.7	Very low	27.2	Very low	204 Å²	204	167.6 Å²	167.6	89%	0.887	78%	0.78	S	S	*	*				46.2	121.2	94.9	-69.7	-168.7	174.7	-171.3	0	112.6
73	S	24.4	Very low	27.4	Very low	115 Å²	115	168.6 Å²	168.6	80%	0.804	79%	0.785	S	S	*	*				-168	165.1	54.5	-166.3	0	0	0	0	113.6
74	N	25.1	Very low	27.4	Very low	152 Å²	152	168 Å²	168	81%	0.813	79%	0.793	S	S	*	*			trans	-86.5	144.9	160.8	-71.3	-23.3	0	0	0	111
75	Q	28.2	Very low	27.5	Very low	186 Å²	186	170.6 Å²	170.6	87%	0.869	80%	0.801	S	S	*	*			trans	-173.1	116.7	138.9	-103	165.4	0.2	0	0	106.9
76	L	30.4	Very low	27.4	Very low	156 Å²	156	174.3 Å²	174.3	82%	0.817	80%	0.802	S	S	*	*				77.7	105.2	61.5	-144.6	169.3	0	0	0	112.3
77	K	34.2	Very low	27.3	Very low	188 Å²	188	179.5 Å²	179.5	82%	0.817	81%	0.814	S	S	*	*			trans	-13.1	137	172.1	-50	165.6	-178	175.8	0	117.7
78	E	26.7	Very low	27.4	Very low	178 Å²	178	182.5 Å²	182.5	83%	0.832	82%	0.821	S	S	*	*				-169.2	166.6	118.7	-115.1	-162.4	125.4	0	0	117.4
79	I	31.2	Very low	27.5	Very low	133 Å²	133	181 Å²	181	68%	0.682	83%	0.826	S	S	*	*			trans	62.7	98.2	154	-61.6	156.9	0	0	0	121.8
80	R	29.6	Very low	27.4	Very low	224 Å²	224	178.5 Å²	178.5	85%	0.845	82%	0.821	S	S	*	*			trans	16	130.8	130.3	-60.2	172.5	175.2	156.2	-2.1	122.6
81	R	28.5	Very low	27.5	Very low	229 Å²	229	175.5 Å²	175.5	86%	0.864	82%	0.815	S	S	*	*			trans	73	157.2	135.8	-78.4	-176.5	170.9	170.5	-3	119.8
82	T	26.4	Very low	27.6	Very low	138 Å²	138	170.6 Å²	170.6	85%	0.847	81%	0.806	S	S	*	*			trans	68.6	150.2	-172.6	69.3	0	0	0	0	112.5
83	E	28.7	Very low	27.5	Very low	169 Å²	169	165.8 Å²	165.8	79%	0.79	79%	0.791	S	S	*	*			cis	-124.7	151	17.8	-59.6	-174.5	117.4	0	0	114.9
84	L	25.7	Very low	27.7	Very low	170 Å²	170	167.6 Å²	167.6	89%	0.89	79%	0.786	S	S	*	*			trans	-143.6	84.4	161.8	-179.6	92.4	0	0	0	108.1
85	K	26.1	Very low	27.8	Very low	190 Å²	190	166.6 Å²	166.6	83%	0.826	78%	0.781	S	S	*	*			trans	-177.2	149.1	159.6	-110.9	166.1	-172.6	-178	0	113.6
86	R	22.7	Very low	27.8	Very low	190 Å²	190	166.7 Å²	166.7	72%	0.717	78%	0.778	S	S	*	*			trans	71.8	117.9	-179.8	-59.5	170.3	-69.8	-167.3	-0	112.9	Y88	R86-Y88 HydrophobicContact CB-CD2 4.23Å; R86-Y88 HydrophobicContact CG-CD2 3.95Å; R86-Y88 HydrophobicContact CG-CE2 4Å
87	Y	22.2	Very low	27.7	Very low	227 Å²	227	165.5 Å²	165.5	89%	0.89	78%	0.778	S	S	*	*			cis	57.4	79.8	7.5	-96.4	-74.9	0	0	0	114.3
88	Y	26.3	Very low	27.4	Very low	212 Å²	212	164.3 Å²	164.3	83%	0.831	78%	0.775	S	S	*	*			trans	-139.8	131.6	142.6	-94.3	-77.4	0	0	0	107.3	R86	R86-Y88 HydrophobicContact CB-CD2 4.23Å; R86-Y88 HydrophobicContact CG-CD2 3.95Å; R86-Y88 HydrophobicContact CG-CE2 4Å
89	S	28.6	Very low	27.4	Very low	96 Å²	96	162 Å²	162	67%	0.671	77%	0.768	S	S	*	*			trans	-83.8	157.9	169.4	-53.2	0	0	0	0	110.3
90	I	27.2	Very low	27.5	Very low	155 Å²	155	165 Å²	165	80%	0.795	78%	0.776	S	S	*	*			trans	-158.5	112.2	138.3	-95.9	146.8	0	0	0	106.3
91	D	29.4	Very low	27.6	Very low	135 Å²	135	164.1 Å²	164.1	72%	0.722	78%	0.779	S	S	*	*			trans	13.8	150.3	133.2	-28.5	-47.7	0	0	0	118.1
92	D	29.5	Very low	27.8	Very low	135 Å²	135	162.4 Å²	162.4	72%	0.722	78%	0.78	S	S	*	*			cis	-168.5	169.7	20	-158.2	0.1	0	0	0	113.7
93	N	25.8	Very low	28.3	Very low	104 Å²	104	165.7 Å²	165.7	56%	0.556	78%	0.783	S	S	*	*			trans	62.4	100.6	145.2	-92.6	-45.7	0	0	0	125.4
94	Q	29	Very low	28.4	Very low	152 Å²	152	166.4 Å²	166.4	71%	0.71	78%	0.783	S	S	*	*				70.9	122.6	114.3	-82.9	-169.9	71.6	0	0	125.7
95	N	26.6	Very low	28.7	Very low	132 Å²	132	167 Å²	167	71%	0.706	78%	0.784	S	S	*	*				102.3	145.1	128.7	-68.3	-19.5	0	0	0	124.2
96	K	29.4	Very low	29	Very low	187 Å²	187	163.6 Å²	163.6	81%	0.813	78%	0.779	S	S	*	*			trans	77.3	99.3	171.7	-63.2	-177.3	-179.2	177.6	0	116.4
97	T	28.3	Very low	29.9	Very low	131 Å²	131	160.3 Å²	160.3	80%	0.804	78%	0.78	S	S	*	*				62.1	130.4	81.7	62.9	0	0	0	0	113.9
98	H	27.6	Very low	30.9	Very low	163 Å²	163	157.4 Å²	157.4	76%	0.755	77%	0.774	S	S	*	*			cis	-147.7	150.8	9	-160.2	-118.7	0	0	0	106.1
99	D	27.5	Very low	32	Very low	130 Å²	130	151.8 Å²	151.8	70%	0.695	75%	0.754	S	S	*	*				175.1	-176.8	74	-149.6	-48.9	0	0	0	109.6
100	K	33.1	Very low	33.5	Very low	196 Å²	196	149.6 Å²	149.6	85%	0.852	74%	0.738	S	S	*	*			trans	79	117.9	176.1	-61.5	-177.7	179.2	176.8	0	116.3
101	K	31.7	Very low	34.4	Very low	206 Å²	206	150.9 Å²	150.9	90%	0.896	74%	0.74	S	S	*	*			trans	-79.6	120.2	-179.9	-60.8	167.3	-179.6	171.4	0	111.5
102	E	33.1	Very low	36	Very low	193 Å²	193	146.6 Å²	146.6	90%	0.902	73%	0.728	S	S	*	*			trans	-77.9	140.9	153.4	-72.1	-164.5	124.5	0	0	110.5	K104	E102-K104 PolarHBondContact O-N 2.91Å
103	K	35.6	Very low	38.1	Very low	206 Å²	206	141 Å²	141	90%	0.896	70%	0.698	S	S	*	*			trans	-85.2	102.8	178.2	-73.9	-177.6	179.2	177	0	110.1	M105	K103-M105 PolarHBondContact O-N 2.92Å; K103-M105 VanDerWaalsContact O-N 3.14Å
104	K	31	Very low	40.6	Very low	185 Å²	185	139.9 Å²	139.9	80%	0.804	69%	0.691	S	S	*	*			trans	-44.5	114.9	168.5	-172.8	179.5	-173	179.1	0	110.8	E102 V106	E102-K104 PolarHBondContact O-N 2.91Å; K104-V106 PolarHBondContact O-N 2.8Å
105	M	31.6	Very low	43.2	Very low	181 Å²	181	137.7 Å²	137.7	89%	0.892	68%	0.681	S	S	*	*			trans	-67.2	101.4	170.2	-76.4	-176.3	69.1	0	0	109.1	K103 V107	K103-M105 PolarHBondContact O-N 2.92Å; K103-M105 VanDerWaalsContact O-N 3.14Å; M105-V107 PolarHBondContact O-N 2.85Å
106	V	32.5	Very low	45.8	Very low	119 Å²	119	133.3 Å²	133.3	72%	0.721	66%	0.655	S	S	*	*			trans	-73.8	117.5	171.2	177.4	0	0	0	0	107.7	K104 Q108	K104-V106 PolarHBondContact O-N 2.8Å; V106-Q108 PolarHBondContact O-N 2.88Å; V106-Q108 VanDerWaalsContact O-N 3.07Å
107	V	43	Very low	48.4	Very low	122 Å²	122	128.4 Å²	128.4	74%	0.739	64%	0.64	S	S	*	*			trans	-66	108.2	167.1	177.5	0	0	0	0	107.1	M105 K109	M105-V107 PolarHBondContact O-N 2.85Å; V107-K109 PolarHBondContact O-N 2.9Å
108	Q	42.7	Very low	51.1	Low	165 Å²	165	122.3 Å²	122.3	77%	0.771	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-72.8	120.1	-177.7	-161.4	170.1	11	0	0	109	V106	V106-Q108 PolarHBondContact O-N 2.88Å; V106-Q108 VanDerWaalsContact O-N 3.07Å
109	K	49.5	Very low	53.6	Low	95 Å²	95	115.9 Å²	115.9	41%	0.413	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-59.9	128	-178.2	179.1	168.7	179.2	167.8	0	110.3	V107 H111 T113 E115 F156	V107-K109 PolarHBondContact O-N 2.9Å; K109-H111 PolarHBondContact O-N 3.14Å; K109-T113 WeakPolarHBondContact CE-O 3.33Å; K109-E115 WeakPolarHBondContact CD-OE1 3.17Å; K109-E115 VanDerWaalsContact CE-OE1 3.32Å; K109-E115 WeakPolarHBondContact CE-OE1 3.37Å; K109-E115 IonicContact NZ-OE1 3.46Å; K109-E115 PolarHBondContact NZ-OE1 3Å; K109-F156 HydrophobicContact CD-CE1 4.35Å; K109-F156 HydrophobicContact CG-CD1 4.3Å; K109-F156 HydrophobicContact CG-CE1 3.96Å
110	P	60	Low	55.7	Low	50 Å²	50	116.6 Å²	116.6	33%	0.325	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-62.2	131.6	178	-21.6	32.8	0	0	0	111.4	G112 T113	P110-G112 PolarHBondContact O-N 3.15Å; P110-T113 HydrophobicContact CB-CG2 3.94Å; P110-T113 PolarHBondContact O-N 3.46Å; P110-T113 PolarHBondContact O-OG1 2.97Å
111	H	45.2	Very low	57.6	Low	181 Å²	181	115.8 Å²	115.8	84%	0.838	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	137.6	175.9	-66.2	-88.5	0	0	0	110.5	K109	K109-H111 PolarHBondContact O-N 3.14Å
112	G	62.9	Low	60	Low	46 Å²	46	107.8 Å²	107.8	47%	0.474	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.1	15.1	-176.2	0	0	0	0	0	115.4	P110 D159	P110-G112 PolarHBondContact O-N 3.15Å; G112-D159 PolarHBondContact O-N 2.97Å
113	T	74.4	Confident	62.4	Low	17 Å²	17	102.2 Å²	102.2	10%	0.104	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.9	176.4	66.7	0	0	0	0	114.1	K109 P110 V157	K109-T113 WeakPolarHBondContact CE-O 3.33Å; P110-T113 HydrophobicContact CB-CG2 3.94Å; P110-T113 PolarHBondContact O-N 3.46Å; P110-T113 PolarHBondContact O-OG1 2.97Å; T113-V157 CarbonylContact C-O 3.54Å; T113-V157 WeakPolarHBondContact CA-O 3.5Å; T113-V157 VanDerWaalsContact CB-O 3.31Å; T113-V157 WeakPolarHBondContact CB-O 3.33Å
114	M	78.8	Confident	64.7	Low	81 Å²	81	92.7 Å²	92.7	40%	0.399	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	154.1	173.3	176.4	165.9	52.2	0	0	109.9	F131 F156 V157	M114-F131 HydrophobicContact CE-CE1 4.07Å; M114-F156 WeakPolarHBondContact O-CA 3.3Å; M114-V157 HydrophobicContact CB-CG2 4.29Å; M114-V157 PolarHBondContact N-O 3.43Å; M114-V157 WeakPolarHBondContact O-CG2 3.4Å; M114-V157 PolarHBondContact O-N 3.04Å
115	E	83.2	Confident	67.2	Low	106 Å²	106	88.3 Å²	88.3	50%	0.495	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.6	177.4	-76.2	152.1	-108.7	0	0	110.5	K109 V154 F156	K109-E115 WeakPolarHBondContact CD-OE1 3.17Å; K109-E115 VanDerWaalsContact CE-OE1 3.32Å; K109-E115 WeakPolarHBondContact CE-OE1 3.37Å; K109-E115 IonicContact NZ-OE1 3.46Å; K109-E115 PolarHBondContact NZ-OE1 3Å; E115-V154 HydrophobicContact CB-CG1 3.88Å; E115-V154 HydrophobicContact CG-CG1 3.99Å; E115-F156 HydrophobicContact CG-CD1 3.82Å; E115-F156 HydrophobicContact CG-CE1 3.52Å; E115-F156 HydrophobicContact CG-CZ 4.39Å
116	Y	80.6	Confident	69.7	Low	40 Å²	40	81.7 Å²	81.7	16%	0.157	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.8	177.3	-177.7	-94.6	0	0	0	110.1	D122 I127 K130 F131 L155	Y116-D122 WeakPolarHBondContact CE1-OD2 3.33Å; Y116-D122 PolarHBondContact OH-OD2 2.86Å; Y116-I127 HydrophobicContact CD1-CD1 3.87Å; Y116-I127 HydrophobicContact CD1-CG1 4.24Å; Y116-I127 HydrophobicContact CD1-CG2 4.05Å; Y116-I127 HydrophobicContact CE1-CD1 3.63Å; Y116-I127 HydrophobicContact CE1-CG1 3.73Å; Y116-I127 HydrophobicContact CE1-CG2 4.27Å; Y116-K130 HydrophobicContact CE2-CD 4.43Å; Y116-K130 PolarHBondContact OH-NZ 2.6Å; Y116-F131 AromaticContact CD2-CE2 3.65Å; Y116-F131 HydrophobicContact CD2-CE2 3.65Å; Y116-F131 AromaticContact CD2-CZ 3.64Å; Y116-F131 HydrophobicContact CD2-CZ 3.64Å; Y116-F131 HydrophobicContact CE2-CE2 4.02Å; Y116-F131 HydrophobicContact CE2-CZ 4.16Å; Y116-F131 AromaticContact CG-CE2 3.92Å; Y116-F131 HydrophobicContact CG-CE2 3.92Å; Y116-F131 HydrophobicContact CG-CZ 4.23Å; Y116-L155 PolarHBondContact N-O 3.4Å; Y116-L155 PolarHBondContact O-N 2.89Å
117	T	84.1	Confident	72.1	Confident	84 Å²	84	76 Å²	76	52%	0.515	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.9	174.9	-53.8	0	0	0	0	109.8	G119	T117-G119 PolarHBondContact O-N 2.88Å
118	A	84.4	Confident	74.1	Confident	3 Å²	3	70.2 Å²	70.2	3%	0.025	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-62.1	123.1	-179.9	0	0	0	0	0	111.8	I127 I149 G152 Q153	A118-I127 HydrophobicContact CB-CD1 4.16Å; A118-I149 HydrophobicContact CB-CD1 4.01Å; A118-G152 PolarHBondContact O-N 2.96Å; A118-Q153 PolarHBondContact N-O 2.95Å
119	G	80.6	Confident	75.9	Confident	27 Å²	27	68.8 Å²	68.8	28%	0.278	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.4	164.7	175.2	0	0	0	0	0	113.2	T117 Q121 D122	T117-G119 PolarHBondContact O-N 2.88Å; G119-Q121 PolarHBondContact O-N 3.22Å; G119-Q121 VanDerWaalsContact O-N 3.14Å; G119-D122 PolarHBondContact N-OD2 3.19Å; G119-D122 PolarHBondContact O-N 2.84Å; G119-D122 VanDerWaalsContact O-N 3.11Å
120	N	71	Confident	77.4	Confident	146 Å²	146	70.1 Å²	70.1	78%	0.781	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	2.5	176.9	56.9	-17.2	0	0	0	115.1	P151	N120-P151 HydrophobicContact CB-CB 4.02Å; N120-P151 HydrophobicContact CB-CG 4.26Å
121	Q	74.4	Confident	78.4	Confident	179 Å²	179	69.9 Å²	69.9	84%	0.836	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	5.1	168.1	-64.7	-175.3	-14.9	0	0	112.5	G119	G119-Q121 PolarHBondContact O-N 3.22Å; G119-Q121 VanDerWaalsContact O-N 3.14Å
122	D	80.9	Confident	80	Confident	37 Å²	37	69 Å²	69	20%	0.198	37%	0.374	C	S	.	.			trans	-75.8	143	176.7	-87.3	-41.3	0	0	0	111.1	Y116 G119 S126 I127 I149	Y116-D122 WeakPolarHBondContact CE1-OD2 3.33Å; Y116-D122 PolarHBondContact OH-OD2 2.86Å; G119-D122 PolarHBondContact N-OD2 3.19Å; G119-D122 PolarHBondContact O-N 2.84Å; G119-D122 VanDerWaalsContact O-N 3.11Å; D122-S126 PolarHBondContact OD1-OG 2.98Å; D122-I127 HydrophobicContact CB-CD1 3.99Å; D122-I127 HydrophobicContact CB-CG1 3.95Å; D122-I149 HydrophobicContact CB-CD1 4.35Å
123	T	84.3	Confident	80.9	Confident	77 Å²	77	68.2 Å²	68.2	47%	0.472	36%	0.359	S	S	.	.			trans	-117.5	159.1	168.4	60.4	0	0	0	0	108.5	N125 S126 I127	T123-N125 PolarHBondContact O-N 2.75Å; T123-N125 VanDerWaalsContact O-N 3.11Å; T123-S126 PolarHBondContact N-OG 2.85Å; T123-S126 PolarHBondContact O-N 2.86Å; T123-S126 PolarHBondContact O-OG 3.49Å; T123-S126 VanDerWaalsContact O-OG 3.05Å; T123-S126 PolarHBondContact OG1-N 3.12Å; T123-S126 VanDerWaalsContact OG1-N 3.08Å; T123-S126 PolarHBondContact OG1-OG 2.85Å; T123-I127 WeakPolarHBondContact O-CG1 3.08Å; T123-I127 PolarHBondContact O-N 2.89Å
124	L	82.6	Confident	81.4	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-51.4	-38.4	174.3	-175.1	76.6	0	0	0	111.5	A128 P135 L138 V139 L144 H147 I149	L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.03Å; L124-P135 HydrophobicContact CD2-CB 3.8Å; L124-P135 HydrophobicContact CG-CB 4.09Å; L124-L138 HydrophobicContact CD1-CB 4.4Å; L124-L138 HydrophobicContact CD1-CD2 3.82Å; L124-L138 HydrophobicContact CD1-CG 4.08Å; L124-V139 HydrophobicContact CD1-CG2 3.95Å; L124-V139 HydrophobicContact CD2-CG2 3.53Å; L124-V139 HydrophobicContact CG-CG2 4.38Å; L124-L144 HydrophobicContact CD1-CD1 4.07Å; L124-H147 HydrophobicContact CD2-CB 3.92Å; L124-H147 VanDerWaalsContact CD2-ND1 3.33Å; L124-H147 WeakPolarHBondContact CD2-ND1 3.09Å; L124-I149 HydrophobicContact CD1-CG2 4.21Å
125	N	83.4	Confident	81.5	Confident	93 Å²	93	69.4 Å²	69.4	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-72.6	-37.2	178.9	-67.3	10.1	0	0	0	113.2	T123 A128 L129 P135	T123-N125 PolarHBondContact O-N 2.75Å; T123-N125 VanDerWaalsContact O-N 3.11Å; N125-A128 PolarHBondContact O-N 3.13Å; N125-L129 WeakPolarHBondContact O-CB 3.45Å; N125-L129 VanDerWaalsContact O-CG 3.29Å; N125-L129 WeakPolarHBondContact O-CG 3.13Å; N125-L129 PolarHBondContact O-N 3.45Å; N125-P135 WeakPolarHBondContact OD1-CB 3.27Å; N125-P135 VanDerWaalsContact OD1-CG 3.24Å; N125-P135 WeakPolarHBondContact OD1-CG 3.4Å
126	S	84.2	Confident	81.4	Confident	41 Å²	41	69 Å²	69	29%	0.287	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-38.5	176.7	65.3	0	0	0	0	111.8	D122 T123 K130	D122-S126 PolarHBondContact OD1-OG 2.98Å; T123-S126 PolarHBondContact N-OG 2.85Å; T123-S126 PolarHBondContact O-N 2.86Å; T123-S126 PolarHBondContact O-OG 3.49Å; T123-S126 VanDerWaalsContact O-OG 3.05Å; T123-S126 PolarHBondContact OG1-N 3.12Å; T123-S126 VanDerWaalsContact OG1-N 3.08Å; T123-S126 PolarHBondContact OG1-OG 2.85Å; S126-K130 WeakPolarHBondContact O-CB 3.27Å; S126-K130 PolarHBondContact O-N 3.42Å
127	I	83.5	Confident	81.4	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-45.6	172.8	-58.3	177.3	0	0	0	110.1	Y116 A118 D122 T123 L129 K130 F131 L138 I149 L155 V157	Y116-I127 HydrophobicContact CD1-CD1 3.87Å; Y116-I127 HydrophobicContact CD1-CG1 4.24Å; Y116-I127 HydrophobicContact CD1-CG2 4.05Å; Y116-I127 HydrophobicContact CE1-CD1 3.63Å; Y116-I127 HydrophobicContact CE1-CG1 3.73Å; Y116-I127 HydrophobicContact CE1-CG2 4.27Å; A118-I127 HydrophobicContact CB-CD1 4.16Å; D122-I127 HydrophobicContact CB-CD1 3.99Å; D122-I127 HydrophobicContact CB-CG1 3.95Å; T123-I127 WeakPolarHBondContact O-CG1 3.08Å; T123-I127 PolarHBondContact O-N 2.89Å; I127-L129 PolarHBondContact O-N 2.92Å; I127-K130 WeakPolarHBondContact O-CB 3.41Å; I127-K130 PolarHBondContact O-N 2.68Å; I127-K130 VanDerWaalsContact O-N 3.14Å; I127-F131 HydrophobicContact CG2-CD2 3.91Å; I127-F131 HydrophobicContact CG2-CE2 4.15Å; I127-F131 WeakPolarHBondContact O-CD2 3.47Å; I127-F131 PolarHBondContact O-N 3.43Å; I127-F131 VanDerWaalsContact O-N 3.16Å; I127-L138 HydrophobicContact CB-CD2 4Å; I127-L138 HydrophobicContact CG2-CD2 3.71Å; I127-I149 HydrophobicContact CD1-CD1 3.45Å; I127-I149 VanDerWaalsContact CD1-CD1 3.45Å; I127-I149 HydrophobicContact CG1-CD1 4.41Å; I127-L155 HydrophobicContact CD1-CD1 3.85Å; I127-V157 HydrophobicContact CG2-CG1 3.97Å
128	A	84.8	Confident	81.3	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-47.1	179.3	0	0	0	0	0	112.3	L124 N125 K130 F131 N132 I133 P135 L138	L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.03Å; N125-A128 PolarHBondContact O-N 3.13Å; A128-K130 PolarHBondContact O-N 3.34Å; A128-F131 CarbonylContact O-C 3.56Å; A128-F131 PolarHBondContact O-N 2.93Å; A128-N132 PolarHBondContact O-N 2.94Å; A128-N132 VanDerWaalsContact O-N 3.12Å; A128-I133 CarbonylContact C-O 3.35Å; A128-I133 HydrophobicContact CB-CG2 4.27Å; A128-I133 WeakPolarHBondContact CB-O 3.49Å; A128-I133 PolarHBondContact O-N 3.22Å; A128-I133 VanDerWaalsContact O-O 3.09Å; A128-P135 HydrophobicContact CB-CB 4.35Å; A128-P135 HydrophobicContact CB-CG 3.86Å; A128-L138 HydrophobicContact CB-CD2 4.3Å
129	L	81.3	Confident	81.2	Confident	135 Å²	135	68.7 Å²	68.7	71%	0.707	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-39.1	174.3	-71.1	167.8	0	0	0	112.8	N125 I127 F131 N132	N125-L129 WeakPolarHBondContact O-CB 3.45Å; N125-L129 VanDerWaalsContact O-CG 3.29Å; N125-L129 WeakPolarHBondContact O-CG 3.13Å; N125-L129 PolarHBondContact O-N 3.45Å; I127-L129 PolarHBondContact O-N 2.92Å; L129-F131 PolarHBondContact O-N 2.94Å; L129-N132 PolarHBondContact O-N 3.36Å
130	K	80.3	Confident	81.2	Confident	123 Å²	123	72.7 Å²	72.7	54%	0.535	38%	0.378	S	S	.	.	H	α-helix	trans	-64.5	-23.8	179.5	-177.2	174.9	-178.9	173.2	0	113.6	Y116 S126 I127 A128	Y116-K130 HydrophobicContact CE2-CD 4.43Å; Y116-K130 PolarHBondContact OH-NZ 2.6Å; S126-K130 WeakPolarHBondContact O-CB 3.27Å; S126-K130 PolarHBondContact O-N 3.42Å; I127-K130 WeakPolarHBondContact O-CB 3.41Å; I127-K130 PolarHBondContact O-N 2.68Å; I127-K130 VanDerWaalsContact O-N 3.14Å; A128-K130 PolarHBondContact O-N 3.34Å
131	F	80.8	Confident	81.6	Confident	44 Å²	44	68.3 Å²	68.3	19%	0.193	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	19.3	178.6	-65.5	-78.2	0	0	0	113.4	M114 Y116 I127 A128 L129 I133 V157	M114-F131 HydrophobicContact CE-CE1 4.07Å; Y116-F131 AromaticContact CD2-CE2 3.65Å; Y116-F131 HydrophobicContact CD2-CE2 3.65Å; Y116-F131 AromaticContact CD2-CZ 3.64Å; Y116-F131 HydrophobicContact CD2-CZ 3.64Å; Y116-F131 HydrophobicContact CE2-CE2 4.02Å; Y116-F131 HydrophobicContact CE2-CZ 4.16Å; Y116-F131 AromaticContact CG-CE2 3.92Å; Y116-F131 HydrophobicContact CG-CE2 3.92Å; Y116-F131 HydrophobicContact CG-CZ 4.23Å; I127-F131 HydrophobicContact CG2-CD2 3.91Å; I127-F131 HydrophobicContact CG2-CE2 4.15Å; I127-F131 WeakPolarHBondContact O-CD2 3.47Å; I127-F131 PolarHBondContact O-N 3.43Å; I127-F131 VanDerWaalsContact O-N 3.16Å; A128-F131 CarbonylContact O-C 3.56Å; A128-F131 PolarHBondContact O-N 2.93Å; L129-F131 PolarHBondContact O-N 2.94Å; F131-I133 HydrophobicContact CB-CG2 4.24Å; F131-I133 PolarHBondContact O-N 2.86Å; F131-I133 VanDerWaalsContact O-N 3.12Å; F131-V157 HydrophobicContact CB-CB 4.42Å; F131-V157 HydrophobicContact CD1-CB 4.23Å; F131-V157 HydrophobicContact CD1-CG2 3.99Å; F131-V157 HydrophobicContact CD2-CB 4Å; F131-V157 HydrophobicContact CD2-CG1 3.73Å; F131-V157 HydrophobicContact CD2-CG2 4.19Å; F131-V157 HydrophobicContact CE1-CG2 3.86Å; F131-V157 HydrophobicContact CE2-CB 4.33Å; F131-V157 HydrophobicContact CE2-CG1 4.01Å; F131-V157 HydrophobicContact CE2-CG2 4.06Å; F131-V157 HydrophobicContact CG-CB 3.96Å; F131-V157 HydrophobicContact CG-CG1 4.19Å; F131-V157 HydrophobicContact CG-CG2 4.16Å; F131-V157 HydrophobicContact CZ-CG2 3.9Å
132	N	78.7	Confident	81.9	Confident	162 Å²	162	61.1 Å²	61.1	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	37.7	179	-72.3	-35.2	0	0	0	114.8	A128 L129	A128-N132 PolarHBondContact O-N 2.94Å; A128-N132 VanDerWaalsContact O-N 3.12Å; L129-N132 PolarHBondContact O-N 3.36Å
133	I	81.9	Confident	81.9	Confident	30 Å²	30	68.6 Å²	68.6	15%	0.154	35%	0.352	C	S	.	.			trans	-117.3	157.5	179.2	-174.2	163.4	0	0	0	110	A128 F131 K137 L138 L141 P158	A128-I133 CarbonylContact C-O 3.35Å; A128-I133 HydrophobicContact CB-CG2 4.27Å; A128-I133 WeakPolarHBondContact CB-O 3.49Å; A128-I133 PolarHBondContact O-N 3.22Å; A128-I133 VanDerWaalsContact O-O 3.09Å; F131-I133 HydrophobicContact CB-CG2 4.24Å; F131-I133 PolarHBondContact O-N 2.86Å; F131-I133 VanDerWaalsContact O-N 3.12Å; I133-K137 HydrophobicContact CD1-CB 3.92Å; I133-K137 HydrophobicContact CD1-CG 3.86Å; I133-K137 HydrophobicContact CG1-CB 3.78Å; I133-K137 HydrophobicContact CG1-CG 4.15Å; I133-L138 HydrophobicContact CG2-CB 4.41Å; I133-L141 HydrophobicContact CD1-CD1 3.5Å; I133-P158 HydrophobicContact CD1-CG 3.65Å
134	T	85.4	Confident	81.6	Confident	88 Å²	88	66.2 Å²	66.2	54%	0.54	34%	0.337	S	S	.	.			trans	-79.9	146.6	172.6	64.6	0	0	0	0	111	N136 K137 L138	T134-N136 PolarHBondContact O-N 2.83Å; T134-K137 PolarHBondContact O-N 2.78Å; T134-K137 VanDerWaalsContact O-N 3.07Å; T134-K137 WeakPolarHBondContact OG1-CB 3.44Å; T134-K137 PolarHBondContact OG1-N 2.88Å; T134-L138 PolarHBondContact O-N 3.16Å
135	P	81.9	Confident	81	Confident	36 Å²	36	76.1 Å²	76.1	23%	0.234	38%	0.38	C	S	.	.	H	α-helix	trans	-55.7	-36.3	178.6	-27.1	34.9	0	0	0	113.5	L124 N125 A128 L138 V139	L124-P135 HydrophobicContact CD2-CB 3.8Å; L124-P135 HydrophobicContact CG-CB 4.09Å; N125-P135 WeakPolarHBondContact OD1-CB 3.27Å; N125-P135 VanDerWaalsContact OD1-CG 3.24Å; N125-P135 WeakPolarHBondContact OD1-CG 3.4Å; A128-P135 HydrophobicContact CB-CB 4.35Å; A128-P135 HydrophobicContact CB-CG 3.86Å; P135-L138 PolarHBondContact O-N 2.82Å; P135-V139 WeakPolarHBondContact O-CG2 3Å; P135-V139 PolarHBondContact O-N 3.39Å
136	N	80.7	Confident	80.5	Confident	98 Å²	98	75.1 Å²	75.1	52%	0.524	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-43.2	177.2	-65.3	7.1	0	0	0	111.6	T134 L138 V139 E140	T134-N136 PolarHBondContact O-N 2.83Å; N136-L138 VanDerWaalsContact C-N 3.3Å; N136-L138 PolarHBondContact O-N 2.87Å; N136-V139 WeakPolarHBondContact O-CB 3.31Å; N136-V139 PolarHBondContact O-N 3.31Å; N136-V139 VanDerWaalsContact O-N 3.16Å; N136-E140 WeakPolarHBondContact O-CG 3.47Å; N136-E140 PolarHBondContact O-N 2.57Å
137	K	80.1	Confident	79.8	Confident	98 Å²	98	78.7 Å²	78.7	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-33	177.6	-162.4	76.1	-156.3	166.8	0	111.9	I133 T134 E140 L141	I133-K137 HydrophobicContact CD1-CB 3.92Å; I133-K137 HydrophobicContact CD1-CG 3.86Å; I133-K137 HydrophobicContact CG1-CB 3.78Å; I133-K137 HydrophobicContact CG1-CG 4.15Å; T134-K137 PolarHBondContact O-N 2.78Å; T134-K137 VanDerWaalsContact O-N 3.07Å; T134-K137 WeakPolarHBondContact OG1-CB 3.44Å; T134-K137 PolarHBondContact OG1-N 2.88Å; K137-E140 WeakPolarHBondContact CD-OE2 3.21Å; K137-E140 WeakPolarHBondContact CE-OE2 3.45Å; K137-E140 IonicContact NZ-OE2 3.46Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; K137-E140 PolarHBondContact O-N 2.81Å; K137-L141 WeakPolarHBondContact O-CB 3.39Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.26Å; K137-L141 PolarHBondContact O-N 3.07Å
138	L	82	Confident	79.4	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-67.3	-37.6	172.1	-173.9	61.9	0	0	0	112.3	L124 I127 A128 I133 T134 P135 N136 N142 V157	L124-L138 HydrophobicContact CD1-CB 4.4Å; L124-L138 HydrophobicContact CD1-CD2 3.82Å; L124-L138 HydrophobicContact CD1-CG 4.08Å; I127-L138 HydrophobicContact CB-CD2 4Å; I127-L138 HydrophobicContact CG2-CD2 3.71Å; A128-L138 HydrophobicContact CB-CD2 4.3Å; I133-L138 HydrophobicContact CG2-CB 4.41Å; T134-L138 PolarHBondContact O-N 3.16Å; P135-L138 PolarHBondContact O-N 2.82Å; N136-L138 VanDerWaalsContact C-N 3.3Å; N136-L138 PolarHBondContact O-N 2.87Å; L138-N142 WeakPolarHBondContact O-CB 3.41Å; L138-N142 PolarHBondContact O-N 3.15Å; L138-N142 PolarHBondContact O-ND2 3Å; L138-V157 HydrophobicContact CD1-CG1 3.83Å
139	V	82.1	Confident	79.2	Confident	22 Å²	22	85 Å²	85	13%	0.133	43%	0.427	C	S	.	.	H	α-helix	trans	-63.7	-44.7	171.7	159.7	0	0	0	0	111.8	L124 P135 N136 N142 K143 L144	L124-V139 HydrophobicContact CD1-CG2 3.95Å; L124-V139 HydrophobicContact CD2-CG2 3.53Å; L124-V139 HydrophobicContact CG-CG2 4.38Å; P135-V139 WeakPolarHBondContact O-CG2 3Å; P135-V139 PolarHBondContact O-N 3.39Å; N136-V139 WeakPolarHBondContact O-CB 3.31Å; N136-V139 PolarHBondContact O-N 3.31Å; N136-V139 VanDerWaalsContact O-N 3.16Å; V139-N142 CarbonylContact O-C 3.53Å; V139-N142 PolarHBondContact O-N 2.99Å; V139-K143 WeakPolarHBondContact O-CA 3.46Å; V139-K143 PolarHBondContact O-N 3.36Å; V139-L144 HydrophobicContact CB-CB 4.49Å; V139-L144 HydrophobicContact CG1-CB 4.24Å; V139-L144 WeakPolarHBondContact CG1-O 3.36Å; V139-L144 HydrophobicContact CG2-CB 4.24Å; V139-L144 HydrophobicContact CG2-CD1 4.16Å; V139-L144 PolarHBondContact O-N 3.47Å
140	E	80.8	Confident	79.1	Confident	110 Å²	110	83.1 Å²	83.1	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-50.3	176.4	-73.2	169.8	-145.8	0	0	112.3	N136 K137 N142 K143	N136-E140 WeakPolarHBondContact O-CG 3.47Å; N136-E140 PolarHBondContact O-N 2.57Å; K137-E140 WeakPolarHBondContact CD-OE2 3.21Å; K137-E140 WeakPolarHBondContact CE-OE2 3.45Å; K137-E140 IonicContact NZ-OE2 3.46Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; K137-E140 PolarHBondContact O-N 2.81Å; E140-N142 PolarHBondContact O-N 2.81Å; E140-K143 PolarHBondContact O-N 2.9Å; E140-K143 VanDerWaalsContact O-N 3.17Å
141	L	79.9	Confident	78.7	Confident	54 Å²	54	81 Å²	81	28%	0.283	42%	0.419	S	S	.	.	H	α-helix	trans	-56.8	-34.1	179.2	-77.2	170.4	0	0	0	112.5	I133 K137 P158	I133-L141 HydrophobicContact CD1-CD1 3.5Å; K137-L141 WeakPolarHBondContact O-CB 3.39Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.26Å; K137-L141 PolarHBondContact O-N 3.07Å; L141-P158 HydrophobicContact CD1-CG 4.4Å
142	N	79.9	Confident	78.1	Confident	28 Å²	28	81.4 Å²	81.4	15%	0.15	44%	0.436	C	S	.	.	H	α-helix	trans	-100.9	-1.1	-177	-72.3	-76.5	0	0	0	114.2	L138 V139 E140 L144 L155 F156	L138-N142 WeakPolarHBondContact O-CB 3.41Å; L138-N142 PolarHBondContact O-N 3.15Å; L138-N142 PolarHBondContact O-ND2 3Å; V139-N142 CarbonylContact O-C 3.53Å; V139-N142 PolarHBondContact O-N 2.99Å; E140-N142 PolarHBondContact O-N 2.81Å; N142-L144 HydrophobicContact CB-CD1 4.22Å; N142-L144 HydrophobicContact CB-CD2 3.98Å; N142-L144 HydrophobicContact CB-CG 3.69Å; N142-L144 PolarHBondContact O-N 3.02Å; N142-L155 HydrophobicContact CB-CD2 4.08Å; N142-L155 VanDerWaalsContact OD1-CA 3.26Å; N142-L155 WeakPolarHBondContact OD1-CA 3.49Å; N142-F156 PolarHBondContact ND2-O 2.94Å; N142-F156 PolarHBondContact OD1-N 2.69Å
143	K	81.9	Confident	78.3	Confident	195 Å²	195	76.5 Å²	76.5	85%	0.848	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.5	-174.8	-56.1	-177.6	-178.6	-179.3	0	112.9	V139 E140 F145	V139-K143 WeakPolarHBondContact O-CA 3.46Å; V139-K143 PolarHBondContact O-N 3.36Å; E140-K143 PolarHBondContact O-N 2.9Å; E140-K143 VanDerWaalsContact O-N 3.17Å; K143-F145 PolarHBondContact O-N 2.85Å
144	L	77.5	Confident	78.3	Confident	27 Å²	27	78.6 Å²	78.6	14%	0.141	42%	0.421	C	S	.	.			trans	-70.3	127.6	-178	-59.8	178.3	0	0	0	110.3	L124 V139 N142 T146 I149 Q153 L155	L124-L144 HydrophobicContact CD1-CD1 4.07Å; V139-L144 HydrophobicContact CB-CB 4.49Å; V139-L144 HydrophobicContact CG1-CB 4.24Å; V139-L144 WeakPolarHBondContact CG1-O 3.36Å; V139-L144 HydrophobicContact CG2-CB 4.24Å; V139-L144 HydrophobicContact CG2-CD1 4.16Å; V139-L144 PolarHBondContact O-N 3.47Å; N142-L144 HydrophobicContact CB-CD1 4.22Å; N142-L144 HydrophobicContact CB-CD2 3.98Å; N142-L144 HydrophobicContact CB-CG 3.69Å; N142-L144 PolarHBondContact O-N 3.02Å; L144-T146 PolarHBondContact O-N 3.4Å; L144-I149 HydrophobicContact CD1-CG2 4.01Å; L144-Q153 VanDerWaalsContact CD2-NE2 3.34Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L144-L155 HydrophobicContact CD2-CD2 4Å
145	F	70.4	Confident	78.2	Confident	213 Å²	213	74.4 Å²	74.4	93%	0.934	40%	0.396	S	S	*	.	S	Bend	trans	-73.7	-14.6	178.9	-164	-98.6	0	0	0	113.2	K143	K143-F145 PolarHBondContact O-N 2.85Å
146	T	71.9	Confident	78.3	Confident	73 Å²	73	74.8 Å²	74.8	45%	0.448	39%	0.394	S	S	.	.	S	Bend	trans	-147.3	160.8	179.3	57.4	0	0	0	0	110.3	L144 T148	L144-T146 PolarHBondContact O-N 3.4Å; T146-T148 PolarHBondContact O-N 3.28Å; T146-T148 PolarHBondContact OG1-OG1 3.07Å
147	H	70.3	Confident	78.3	Confident	116 Å²	116	70.1 Å²	70.1	54%	0.537	37%	0.369	S	S	.	.	S	Bend	trans	-77.2	0.2	175.7	-66.1	-90.9	0	0	0	114	L124	L124-H147 HydrophobicContact CD2-CB 3.92Å; L124-H147 VanDerWaalsContact CD2-ND1 3.33Å; L124-H147 WeakPolarHBondContact CD2-ND1 3.09Å
148	T	74.8	Confident	78.2	Confident	108 Å²	108	67.5 Å²	67.5	66%	0.663	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-91.2	121	177.4	47.4	0	0	0	0	110.9	T146	T146-T148 PolarHBondContact O-N 3.28Å; T146-T148 PolarHBondContact OG1-OG1 3.07Å
149	I	81.4	Confident	77.8	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.128	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-101.1	149.6	175.1	61.8	177.3	0	0	0	110.4	A118 D122 L124 I127 L144 L155	A118-I149 HydrophobicContact CB-CD1 4.01Å; D122-I149 HydrophobicContact CB-CD1 4.35Å; L124-I149 HydrophobicContact CD1-CG2 4.21Å; I127-I149 HydrophobicContact CD1-CD1 3.45Å; I127-I149 VanDerWaalsContact CD1-CD1 3.45Å; I127-I149 HydrophobicContact CG1-CD1 4.41Å; L144-I149 HydrophobicContact CD1-CG2 4.01Å; I149-L155 HydrophobicContact CD1-CD1 4.49Å; I149-L155 HydrophobicContact CG2-CD1 4.06Å
150	V	78.8	Confident	76.7	Confident	95 Å²	95	74.1 Å²	74.1	58%	0.576	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-102.4	137.3	179.5	-176	0	0	0	0	110	G152 Q153	V150-G152 PolarHBondContact O-N 3.44Å; V150-Q153 WeakPolarHBondContact O-CB 3.49Å; V150-Q153 PolarHBondContact O-N 2.85Å
151	P	71.5	Confident	75.2	Confident	79 Å²	79	76 Å²	76	51%	0.513	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.6	173.6	-28	37.3	0	0	0	112.2	N120	N120-P151 HydrophobicContact CB-CB 4.02Å; N120-P151 HydrophobicContact CB-CG 4.26Å
152	G	68.9	Low	73.4	Confident	52 Å²	52	76.5 Å²	76.5	54%	0.536	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-3.6	-173.5	0	0	0	0	0	115	A118 V150	A118-G152 PolarHBondContact O-N 2.96Å; V150-G152 PolarHBondContact O-N 3.44Å
153	Q	82.3	Confident	71.6	Confident	60 Å²	60	81.1 Å²	81.1	28%	0.28	46%	0.463	S	S	.	.			trans	-71.2	129	172.9	-174.8	175.3	-1.1	0	0	110.9	A118 L144 V150 L155	A118-Q153 PolarHBondContact N-O 2.95Å; L144-Q153 VanDerWaalsContact CD2-NE2 3.34Å; V150-Q153 WeakPolarHBondContact O-CB 3.49Å; V150-Q153 PolarHBondContact O-N 2.85Å; Q153-L155 HydrophobicContact CG-CD2 4.18Å
154	V	82	Confident	69.5	Low	73 Å²	73	77.9 Å²	77.9	44%	0.442	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.5	173.3	-176.5	0	0	0	0	109.7	E115	E115-V154 HydrophobicContact CB-CG1 3.88Å; E115-V154 HydrophobicContact CG-CG1 3.99Å
155	L	83.6	Confident	67.4	Low	1 Å²	1	81.9 Å²	81.9	1%	0.005	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.5	-179.8	-60.3	173.3	0	0	0	110.1	Y116 I127 N142 L144 I149 Q153	Y116-L155 PolarHBondContact N-O 3.4Å; Y116-L155 PolarHBondContact O-N 2.89Å; I127-L155 HydrophobicContact CD1-CD1 3.85Å; N142-L155 HydrophobicContact CB-CD2 4.08Å; N142-L155 VanDerWaalsContact OD1-CA 3.26Å; N142-L155 WeakPolarHBondContact OD1-CA 3.49Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L144-L155 HydrophobicContact CD2-CD2 4Å; I149-L155 HydrophobicContact CD1-CD1 4.49Å; I149-L155 HydrophobicContact CG2-CD1 4.06Å; Q153-L155 HydrophobicContact CG-CD2 4.18Å
156	F	83.1	Confident	65.6	Low	43 Å²	43	77.6 Å²	77.6	19%	0.189	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.8	169.9	-58.8	-77.5	0	0	0	110.1	K109 M114 E115 N142	K109-F156 HydrophobicContact CD-CE1 4.35Å; K109-F156 HydrophobicContact CG-CD1 4.3Å; K109-F156 HydrophobicContact CG-CE1 3.96Å; M114-F156 WeakPolarHBondContact O-CA 3.3Å; E115-F156 HydrophobicContact CG-CD1 3.82Å; E115-F156 HydrophobicContact CG-CE1 3.52Å; E115-F156 HydrophobicContact CG-CZ 4.39Å; N142-F156 PolarHBondContact ND2-O 2.94Å; N142-F156 PolarHBondContact OD1-N 2.69Å
157	V	81.7	Confident	63.6	Low	0 Å²	0	82.7 Å²	82.7	0%	0	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.7	175	-66.3	0	0	0	0	109.4	T113 M114 I127 F131 L138	T113-V157 CarbonylContact C-O 3.54Å; T113-V157 WeakPolarHBondContact CA-O 3.5Å; T113-V157 VanDerWaalsContact CB-O 3.31Å; T113-V157 WeakPolarHBondContact CB-O 3.33Å; M114-V157 HydrophobicContact CB-CG2 4.29Å; M114-V157 PolarHBondContact N-O 3.43Å; M114-V157 WeakPolarHBondContact O-CG2 3.4Å; M114-V157 PolarHBondContact O-N 3.04Å; I127-V157 HydrophobicContact CG2-CG1 3.97Å; F131-V157 HydrophobicContact CB-CB 4.42Å; F131-V157 HydrophobicContact CD1-CB 4.23Å; F131-V157 HydrophobicContact CD1-CG2 3.99Å; F131-V157 HydrophobicContact CD2-CB 4Å; F131-V157 HydrophobicContact CD2-CG1 3.73Å; F131-V157 HydrophobicContact CD2-CG2 4.19Å; F131-V157 HydrophobicContact CE1-CG2 3.86Å; F131-V157 HydrophobicContact CE2-CB 4.33Å; F131-V157 HydrophobicContact CE2-CG1 4.01Å; F131-V157 HydrophobicContact CE2-CG2 4.06Å; F131-V157 HydrophobicContact CG-CB 3.96Å; F131-V157 HydrophobicContact CG-CG1 4.19Å; F131-V157 HydrophobicContact CG-CG2 4.16Å; F131-V157 HydrophobicContact CZ-CG2 3.9Å; L138-V157 HydrophobicContact CD1-CG1 3.83Å
158	P	77.8	Confident	61.7	Low	43 Å²	43	87.5 Å²	87.5	28%	0.279	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	144.4	174.5	-20.6	32.6	0	0	0	112	I133 L141	I133-P158 HydrophobicContact CD1-CG 3.65Å; L141-P158 HydrophobicContact CD1-CG 4.4Å
159	D	72.6	Confident	60	Low	69 Å²	69	89.5 Å²	89.5	37%	0.369	53%	0.529	S	S	.	.			trans	-75.5	134.2	166.2	-164.5	-28.8	0	0	0	109.8	G112 N161	G112-D159 PolarHBondContact O-N 2.97Å; D159-N161 VanDerWaalsContact C-N 3.34Å; D159-N161 PolarHBondContact OD1-N 3.04Å
160	A	58.9	Low	57.4	Low	92 Å²	92	94.1 Å²	94.1	76%	0.76	56%	0.564	S	S	*	*	S	Bend	trans	-81.5	-12.5	-178.5	0	0	0	0	0	113.5
161	N	49.6	Very low	55.2	Low	149 Å²	149	95.5 Å²	95.5	80%	0.797	58%	0.577	S	S	*	*	S	Bend	trans	-109.3	7.3	-171	-74.2	-17.2	0	0	0	114.9	D159	D159-N161 VanDerWaalsContact C-N 3.34Å; D159-N161 PolarHBondContact OD1-N 3.04Å
162	S	42.6	Very low	53.3	Low	65 Å²	65	97.1 Å²	97.1	46%	0.455	59%	0.591	S	S	.	*			trans	-95.6	117.7	174.5	59.6	0	0	0	0	112.1
163	P	42.4	Very low	51.5	Low	126 Å²	126	100.2 Å²	100.2	82%	0.818	60%	0.604	S	S	*	*			trans	-72.2	138.1	176.3	29.7	-34.2	0	0	0	111.8	S165	P163-S165 PolarHBondContact O-N 2.9Å
164	S	37.2	Very low	49.6	Very low	127 Å²	127	104 Å²	104	89%	0.888	63%	0.634	S	S	*	*			trans	-80.1	114.2	-172.8	-60.8	0	0	0	0	114
165	S	34.1	Very low	47.1	Very low	111 Å²	111	104.3 Å²	104.3	78%	0.776	65%	0.652	S	S	*	*			trans	-153.9	153	150.8	59.9	0	0	0	0	112.3	P163	P163-S165 PolarHBondContact O-N 2.9Å
166	T	31.4	Very low	44.5	Very low	122 Å²	122	108.7 Å²	108.7	75%	0.748	69%	0.688	S	S	*	*			trans	61.3	79.2	165.8	-44	0	0	0	0	118.1
167	L	30.8	Very low	41.9	Very low	181 Å²	181	112.5 Å²	112.5	95%	0.948	72%	0.715	S	S	*	*			trans	-118.9	70.3	142.2	-84.3	179.4	0	0	0	110.5
168	R	29.8	Very low	39.5	Very low	217 Å²	217	119.2 Å²	119.2	82%	0.819	76%	0.756	S	S	*	*			trans	-101	101.9	160.9	-85.8	-75.1	-176	165.1	0.5	108.8
169	L	40.3	Very low	37.3	Very low	149 Å²	149	122.3 Å²	122.3	78%	0.78	78%	0.778	S	S	*	*			trans	21.6	127.5	145.3	-55.7	171.1	0	0	0	118.8
170	S	26.7	Very low	35.9	Very low	123 Å²	123	124.7 Å²	124.7	86%	0.86	80%	0.798	S	S	*	*			trans	-143.7	115	150.1	-72.2	0	0	0	0	110.8
171	S	31.2	Very low	34.5	Very low	123 Å²	123	125.6 Å²	125.6	86%	0.86	80%	0.799	S	S	*	*			trans	-123.4	116.8	158.8	56.1	0	0	0	0	107.5
172	S	31.8	Very low	33.8	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	80%	0.795	S	S	*	*			trans	-141.2	135.7	179.5	49.5	0	0	0	0	111.8
173	S	32.4	Very low	33.5	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	81%	0.807	S	S	*	*			trans	-90	157.4	159.6	-70.3	0	0	0	0	109.1
174	P	42.6	Very low	33	Very low	138 Å²	138	126.5 Å²	126.5	90%	0.896	81%	0.807	S	S	*	*			trans	-90	145.1	-162.9	34	-35.9	0	0	0	115.1
175	G	29.1	Very low	32.9	Very low	80 Å²	80	124.1 Å²	124.1	83%	0.825	80%	0.795	S	S	*	*			trans	-179.1	134.8	167.9	0	0	0	0	0	110.2
176	A	29.3	Very low	32.9	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	79%	0.794	S	S	*	*			trans	-104.5	171.5	179.8	0	0	0	0	0	109.9
177	T	28.6	Very low	32.8	Very low	123 Å²	123	129.4 Å²	129.4	76%	0.755	79%	0.793	S	S	*	*			cis	-163.4	149.7	41.8	46.8	0	0	0	0	115.1
178	V	30.7	Very low	33	Very low	141 Å²	141	127.1 Å²	127.1	86%	0.855	78%	0.781	S	S	*	*			trans	77.1	149	148.8	171.9	0	0	0	0	119.9
179	S	31.3	Very low	33.1	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	78%	0.78	S	S	*	*			trans	-115.1	176	-173.9	-39.6	0	0	0	0	111.9
180	P	44	Very low	32.9	Very low	120 Å²	120	126.2 Å²	126.2	78%	0.779	78%	0.784	S	S	*	*				-128.1	-179.7	61.4	11.5	15.3	0	0	0	113.3
181	S	28.2	Very low	33.8	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	78%	0.777	S	S	*	*			cis	79.6	134.5	36	-155.2	0	0	0	0	115.7
182	S	36.2	Very low	33.8	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	77%	0.773	S	S	*	*			cis	-124.6	-110.9	-6	18.8	0	0	0	0	112.4
183	S	36.6	Very low	33.9	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	77%	0.767	S	S	*	*			cis	174.6	147.9	-11.2	39.1	0	0	0	0	107.9
184	D	30.4	Very low	33.7	Very low	155 Å²	155	125.4 Å²	125.4	83%	0.829	76%	0.76	S	S	*	*			cis	-170	-166.8	-18.6	-139.4	-70.7	0	0	0	110.6
185	A	35.3	Very low	33.2	Very low	77 Å²	77	127.1 Å²	127.1	64%	0.636	76%	0.76	S	S	*	*			trans	76.5	111	174.7	0	0	0	0	0	118.2
186	E	33.5	Very low	33.2	Very low	161 Å²	161	127.4 Å²	127.4	75%	0.752	76%	0.755	S	S	*	*				84.2	155.3	77.6	-77.5	-173.4	153.2	0	0	114.5
187	Y	30.1	Very low	33.2	Very low	183 Å²	183	132.5 Å²	132.5	72%	0.718	76%	0.755	S	S	*	*			cis	-153.7	98.2	11.5	-141.3	-62.9	0	0	0	115
188	D	34.5	Very low	33.4	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	76%	0.761	S	S	*	*			trans	70.1	158.9	144	-163.2	35.3	0	0	0	125.1
189	K	32.1	Very low	33.3	Very low	180 Å²	180	134.6 Å²	134.6	78%	0.783	76%	0.76	S	S	*	*			trans	108.2	116	157.6	-59.6	-167.6	177.9	179.5	0	122.2
190	L	36.3	Very low	33.3	Very low	167 Å²	167	137 Å²	137	87%	0.874	76%	0.764	S	S	*	*			trans	-106.5	-173.3	164.6	-73.3	176.1	0	0	0	109.4
191	P	46.1	Very low	32.7	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	77%	0.766	S	S	*	*			cis	-131.5	-150.2	10.6	36.7	-10.5	0	0	0	112.6
192	D	31.7	Very low	32.8	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	77%	0.767	S	S	*	*			cis	-162.2	179.7	11.1	-143.5	-28.8	0	0	0	113.6
193	A	33.2	Very low	32.6	Very low	80 Å²	80	144.2 Å²	144.2	66%	0.661	78%	0.775	S	S	*	*			trans	25.1	125.3	154.3	0	0	0	0	0	121.4
194	D	28.6	Very low	32	Very low	124 Å²	124	148.4 Å²	148.4	66%	0.663	78%	0.784	S	S	*	*			cis	90.6	80.7	48.3	-164.9	22.2	0	0	0	115.1	R197	D194-R197 IonicContact OD2-NH2 3.83Å
195	L	31.3	Very low	32.1	Very low	174 Å²	174	152.2 Å²	152.2	91%	0.911	79%	0.786	S	S	*	*			trans	-156.3	141.8	161	-142.9	71.4	0	0	0	108
196	A	29.1	Very low	31.7	Very low	87 Å²	87	155.5 Å²	155.5	72%	0.719	80%	0.798	S	S	*	*			cis	-137	172	7.9	0	0	0	0	0	112
197	R	30.5	Very low	31.6	Very low	200 Å²	200	155.6 Å²	155.6	76%	0.755	80%	0.803	S	S	*	*			trans	-126.9	145.1	178.2	-54.3	-177.5	-168.7	175.2	6.6	112.6	D194	D194-R197 IonicContact OD2-NH2 3.83Å
198	K	31.4	Very low	31.3	Very low	207 Å²	207	153 Å²	153	90%	0.9	81%	0.812	S	S	*	*			trans	69.3	114.7	160.6	-60.3	172.6	177	177.2	0	119.8
199	A	28.7	Very low	31.1	Very low	100 Å²	100	151.8 Å²	151.8	83%	0.826	81%	0.813	S	S	*	*				-152.5	162.3	129	0	0	0	0	0	108.9
200	L	32.1	Very low	31.5	Very low	160 Å²	160	149.9 Å²	149.9	84%	0.838	82%	0.817	S	S	*	*			trans	-152.2	138.3	-173.6	-103.8	174.9	0	0	0	114.1
201	K	30.3	Very low	31.1	Very low	189 Å²	189	147.6 Å²	147.6	82%	0.822	82%	0.815	S	S	*	*			trans	72.5	159.2	168.4	-55.6	174.4	-179.7	179.1	0	117.2
202	P	31.4	Very low	31	Very low	122 Å²	122	151 Å²	151	79%	0.792	82%	0.822	S	S	*	*			cis	-119.8	166.5	-23.7	35.7	-21.3	0	0	0	112.9
203	I	30.4	Very low	31.1	Very low	175 Å²	175	153.2 Å²	153.2	90%	0.897	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-101	126.5	175.4	-64.3	173.8	0	0	0	110.5
204	E	24.2	Very low	31.1	Very low	187 Å²	187	157 Å²	157	87%	0.874	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-100.1	158.5	165.5	-174.5	161	-158.4	0	0	110.5
205	R	33.2	Very low	31.4	Very low	235 Å²	235	159.3 Å²	159.3	89%	0.887	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-100.1	116.1	-174.9	-66.9	179.1	177.1	84.7	-4.3	112.4
206	V	26.9	Very low	31.7	Very low	145 Å²	145	156.9 Å²	156.9	88%	0.879	84%	0.838	S	S	*	*			trans	-144.7	148.9	148.5	172.2	0	0	0	0	108.8
207	L	30.6	Very low	32.1	Very low	164 Å²	164	155.8 Å²	155.8	86%	0.859	84%	0.835	S	S	*	*			trans	-87.3	138.9	173.7	-65.2	162	0	0	0	110.7
208	S	24.7	Very low	33.1	Very low	129 Å²	129	149.7 Å²	149.7	90%	0.902	82%	0.82	S	S	*	*			trans	-161.1	161	152.5	-98.2	0	0	0	0	110.8
209	S	29.8	Very low	34.2	Very low	106 Å²	106	143.7 Å²	143.7	74%	0.741	80%	0.8	S	S	*	*			trans	-98.1	177.1	-171.6	-52.5	0	0	0	0	113.5
210	T	39.9	Very low	35.8	Very low	140 Å²	140	146.9 Å²	146.9	86%	0.859	80%	0.795	S	S	*	*			trans	57	98.6	156.3	53	0	0	0	0	118
211	S	29.8	Very low	38	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	78%	0.779	S	S	*	*			trans	-132.6	148.1	135.8	59.6	0	0	0	0	107.6
212	E	42.6	Very low	40.5	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	74%	0.743	S	S	*	*			trans	-92	-178.1	-173	-68.5	152.8	127.9	0	0	111.8
213	E	35.2	Very low	43.1	Very low	192 Å²	192	136 Å²	136	90%	0.897	73%	0.729	S	S	*	*			trans	66.7	86.7	166.4	-55.6	179.3	-174.1	0	0	117.8
214	D	32.5	Very low	45.7	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	69%	0.688	S	S	*	*	S	Bend		-170.7	141.1	114.9	-130.2	-24	0	0	0	112.8
215	E	34.3	Very low	48.6	Very low	172 Å²	172	123.3 Å²	123.3	80%	0.804	67%	0.669	S	S	*	*			trans	43.7	149.2	178.1	-70	-161.9	139.4	0	0	121.1	G217	E215-G217 PolarHBondContact O-N 3.25Å
216	P	37.6	Very low	51.2	Low	124 Å²	124	112.4 Å²	112.4	81%	0.805	63%	0.629	S	S	*	*			trans	-76.4	61.5	172.3	34.2	-36.3	0	0	0	112.5	V218	P216-V218 PolarHBondContact O-N 3.5Å
217	G	38.9	Very low	54	Low	64 Å²	64	111.5 Å²	111.5	66%	0.66	61%	0.61	S	S	*	*			trans	-61.5	117.3	-177.5	0	0	0	0	0	113.6	E215 V219	E215-G217 PolarHBondContact O-N 3.25Å; G217-V219 PolarHBondContact O-N 2.72Å
218	V	50.5	Low	56.7	Low	72 Å²	72	105 Å²	105	44%	0.436	57%	0.574	S	S	.	*			trans	-46.5	124.9	-173.8	-171.9	0	0	0	0	113.1	P216 K220 W710	P216-V218 PolarHBondContact O-N 3.5Å; V218-K220 WeakPolarHBondContact O-CG 3.35Å; V218-K220 PolarHBondContact O-N 2.8Å; V218-K220 VanDerWaalsContact O-N 3.08Å; V218-W710 HydrophobicContact CB-CZ2 4.48Å; V218-W710 HydrophobicContact CG1-CD2 4.36Å; V218-W710 HydrophobicContact CG1-CH2 4.16Å; V218-W710 HydrophobicContact CG1-CZ2 3.46Å; V218-W710 VanDerWaalsContact CG1-CZ2 3.46Å
219	V	54.1	Low	59.6	Low	81 Å²	81	100.6 Å²	100.6	49%	0.491	54%	0.539	S	S	.	.			trans	-63.6	108.9	179.6	177.8	0	0	0	0	110.1	G217 F221 F706 W710	G217-V219 PolarHBondContact O-N 2.72Å; V219-F221 VanDerWaalsContact C-N 3.3Å; V219-F221 WeakPolarHBondContact CG1-O 3.4Å; V219-F221 PolarHBondContact O-N 3.36Å; V219-F706 HydrophobicContact CG1-CE2 4.4Å; V219-F706 WeakPolarHBondContact O-CE2 3.42Å; V219-W710 PolarHBondContact O-NE1 2.63Å
220	K	63.6	Low	62	Low	166 Å²	166	96.4 Å²	96.4	72%	0.722	51%	0.509	S	S	*	.			trans	-72.7	-13.6	-169.3	-65.6	-177	179.1	171.8	0	115.8	V218 P244	V218-K220 WeakPolarHBondContact O-CG 3.35Å; V218-K220 PolarHBondContact O-N 2.8Å; V218-K220 VanDerWaalsContact O-N 3.08Å; K220-P244 WeakPolarHBondContact O-CD 3.45Å
221	F	76.4	Confident	63.6	Low	113 Å²	113	94.1 Å²	94.1	50%	0.496	49%	0.491	S	S	.	.			trans	-165.3	149.1	171.8	59.8	-85.9	0	0	0	110.9	V219 K223 I241 V242 T243	V219-F221 VanDerWaalsContact C-N 3.3Å; V219-F221 WeakPolarHBondContact CG1-O 3.4Å; V219-F221 PolarHBondContact O-N 3.36Å; F221-K223 HydrophobicContact CD2-CB 4.39Å; F221-K223 HydrophobicContact CE2-CB 4.39Å; F221-I241 HydrophobicContact CB-CG2 4.36Å; F221-I241 HydrophobicContact CD2-CG2 4.14Å; F221-V242 CarbonylContact C-O 3.54Å; F221-V242 VanDerWaalsContact CA-O 3.3Å; F221-V242 WeakPolarHBondContact CA-O 3.26Å; F221-V242 WeakPolarHBondContact CB-O 3.3Å; F221-T243 HydrophobicContact CB-CG2 3.91Å
222	L	83.7	Confident	65.3	Low	13 Å²	13	92.3 Å²	92.3	7%	0.068	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.7	171.1	173.4	63	0	0	0	110.2	M224 I241 V242 H702 L703 F706	L222-M224 HydrophobicContact CD1-CE 4.46Å; L222-M224 HydrophobicContact CD2-CE 3.49Å; L222-M224 VanDerWaalsContact CD2-CE 3.49Å; L222-M224 HydrophobicContact CG-CE 3.79Å; L222-I241 WeakPolarHBondContact O-CA 3.46Å; L222-V242 HydrophobicContact CB-CB 4.37Å; L222-V242 PolarHBondContact N-O 3.01Å; L222-V242 PolarHBondContact O-N 3.49Å; L222-H702 HydrophobicContact CD1-CB 4.39Å; L222-H702 WeakPolarHBondContact CD2-O 3.29Å; L222-L703 HydrophobicContact CD2-CB 4.02Å; L222-L703 HydrophobicContact CD2-CD1 3.74Å; L222-L703 HydrophobicContact CD2-CG 4.5Å; L222-F706 HydrophobicContact CB-CB 4.28Å; L222-F706 HydrophobicContact CB-CD1 4.32Å; L222-F706 HydrophobicContact CB-CD2 3.61Å; L222-F706 HydrophobicContact CB-CE2 3.96Å; L222-F706 HydrophobicContact CB-CG 3.8Å; L222-F706 HydrophobicContact CB-CZ 4.48Å; L222-F706 HydrophobicContact CD2-CB 3.86Å; L222-F706 HydrophobicContact CD2-CG 4.23Å
223	K	85.8	Confident	66.7	Low	116 Å²	116	88.3 Å²	88.3	50%	0.504	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.7	177.3	-174.1	-179.9	-177	-174	0	110.8	F221 V239 I241 R699	F221-K223 HydrophobicContact CD2-CB 4.39Å; F221-K223 HydrophobicContact CE2-CB 4.39Å; K223-V239 HydrophobicContact CD-CG1 4.26Å; K223-V239 HydrophobicContact CG-CG1 3.69Å; K223-I241 HydrophobicContact CG-CG1 4.37Å; K223-R699 PolarHBondContact O-NH2 2.69Å
224	M	86.1	Confident	68.8	Low	5 Å²	5	80.9 Å²	80.9	3%	0.025	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.5	176.4	64.6	-177.2	73.7	0	0	112	L222 V239 M240 V695 R699 L703	L222-M224 HydrophobicContact CD1-CE 4.46Å; L222-M224 HydrophobicContact CD2-CE 3.49Å; L222-M224 VanDerWaalsContact CD2-CE 3.49Å; L222-M224 HydrophobicContact CG-CE 3.79Å; M224-V239 CarbonylContact O-C 3.56Å; M224-V239 WeakPolarHBondContact O-CA 3.39Å; M224-M240 HydrophobicContact CE-CE 4.07Å; M224-M240 HydrophobicContact CG-CB 4.11Å; M224-M240 HydrophobicContact CG-CE 4.03Å; M224-M240 PolarHBondContact N-O 3.09Å; M224-M240 PolarHBondContact O-N 3.49Å; M224-M240 HydrophobicContact SD-CE 3.42Å; M224-M240 WeakPolarHBondContact SD-CE 3.39Å; M224-V695 HydrophobicContact SD-CG1 3.58Å; M224-V695 VanDerWaalsContact SD-CG1 3.58Å; M224-V695 HydrophobicContact SD-CG2 4.16Å; M224-R699 HydrophobicContact CB-CB 4.49Å; M224-L703 HydrophobicContact CE-CB 4.11Å; M224-L703 HydrophobicContact CE-CD1 3.89Å; M224-L703 HydrophobicContact CE-CD2 4.24Å; M224-L703 HydrophobicContact CE-CG 4.3Å
225	N	85.3	Confident	71.3	Confident	91 Å²	91	76 Å²	76	49%	0.487	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.5	166.3	-69.1	88.6	0	0	0	109.7	G238 H252 P696	N225-G238 WeakPolarHBondContact CA-O 3.48Å; N225-H252 PolarHBondContact ND2-CE1 2.74Å; N225-H252 PolarHBondContact ND2-NE2 2.89Å; N225-P696 WeakPolarHBondContact O-CD 3.18Å
226	C	86.9	Confident	73.8	Confident	7 Å²	7	67.9 Å²	67.9	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	173.7	176.5	70.3	0	0	0	0	110.6	G238 F249 F693 A694 V695	C226-G238 PolarHBondContact N-O 3.07Å; C226-G238 PolarHBondContact O-N 3.43Å; C226-G238 VanDerWaalsContact O-O 3.12Å; C226-F249 VanDerWaalsContact SG-CD2 3.57Å; C226-F249 VanDerWaalsContact SG-CE2 3.51Å; C226-F693 HydrophobicContact CB-CB 4.46Å; C226-A694 CarbonylContact C-O 3.56Å; C226-A694 WeakPolarHBondContact CA-O 3.4Å; C226-A694 WeakPolarHBondContact CB-O 3.31Å; C226-V695 HydrophobicContact CB-CG2 4.21Å
227	R	85.3	Confident	76.1	Confident	125 Å²	125	62.6 Å²	62.6	47%	0.472	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.1	174.8	-64.5	-174.2	-68.3	-98.3	1.9	110.5	V235 V236 F693 A694	R227-V235 HydrophobicContact CB-CG1 3.8Å; R227-V236 CarbonylContact C-O 3.56Å; R227-V236 WeakPolarHBondContact CA-O 3.15Å; R227-F693 CarbonylContact O-C 3.41Å; R227-F693 VanDerWaalsContact O-CA 3.24Å; R227-F693 WeakPolarHBondContact O-CA 3.43Å; R227-A694 HydrophobicContact CB-CB 4.38Å; R227-A694 PolarHBondContact N-O 2.88Å; R227-A694 PolarHBondContact O-N 3.48Å
228	Y	87	Confident	78.4	Confident	28 Å²	28	59.6 Å²	59.6	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.3	178.9	174.5	-134.8	0	0	0	111	T230 V235 V236 F249 L268 Y691 W692 F693	Y228-T230 HydrophobicContact CD1-CG2 3.62Å; Y228-T230 HydrophobicContact CE1-CG2 3.39Å; Y228-T230 HydrophobicContact CG-CG2 4.4Å; Y228-V235 WeakPolarHBondContact O-CA 3.41Å; Y228-V236 PolarHBondContact N-O 3.36Å; Y228-V236 PolarHBondContact O-N 2.72Å; Y228-F249 VanDerWaalsContact CB-CZ 3.48Å; Y228-F249 HydrophobicContact CD1-CD1 4.42Å; Y228-F249 HydrophobicContact CD1-CE1 4.06Å; Y228-F249 HydrophobicContact CG-CE1 4.17Å; Y228-L268 HydrophobicContact CD1-CD1 4.17Å; Y228-L268 HydrophobicContact CD2-CD1 4.32Å; Y228-L268 HydrophobicContact CE1-CD1 3.76Å; Y228-L268 HydrophobicContact CE1-CG 4.48Å; Y228-L268 HydrophobicContact CE2-CD1 3.97Å; Y228-L268 HydrophobicContact CG-CD1 4.46Å; Y228-Y691 AromaticContact CE2-CD1 3.84Å; Y228-Y691 HydrophobicContact CE2-CD1 3.84Å; Y228-Y691 AromaticContact CZ-CD1 3.91Å; Y228-Y691 WeakPolarHBondContact OH-CD1 3.4Å; Y228-W692 WeakPolarHBondContact CD2-O 3.44Å; Y228-F693 AromaticContact CD2-CD1 3.88Å; Y228-F693 HydrophobicContact CD2-CD1 3.88Å; Y228-F693 AromaticContact CD2-CE1 3.49Å; Y228-F693 HydrophobicContact CD2-CE1 3.49Å; Y228-F693 VanDerWaalsContact CD2-CE1 3.49Å; Y228-F693 HydrophobicContact CD2-CE2 4.46Å; Y228-F693 AromaticContact CD2-CZ 3.82Å; Y228-F693 HydrophobicContact CD2-CZ 3.82Å; Y228-F693 HydrophobicContact CE2-CE1 4.4Å; Y228-F693 HydrophobicContact CE2-CZ 4.33Å; Y228-F693 HydrophobicContact CG-CD1 4.15Å; Y228-F693 AromaticContact CG-CE1 3.77Å; Y228-F693 HydrophobicContact CG-CE1 3.77Å; Y228-F693 HydrophobicContact CG-CZ 4.46Å
229	F	85.9	Confident	80.2	Confident	37 Å²	37	57.2 Å²	57.2	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.2	176.7	-68.6	-97.2	0	0	0	110.4	V235 I284 M287 F658 W692 A694	F229-V235 HydrophobicContact CD1-CB 4.45Å; F229-V235 HydrophobicContact CD1-CG1 4.25Å; F229-V235 HydrophobicContact CD1-CG2 3.45Å; F229-V235 VanDerWaalsContact CD1-CG2 3.45Å; F229-V235 HydrophobicContact CE1-CB 4.44Å; F229-V235 HydrophobicContact CE1-CG1 4.03Å; F229-V235 HydrophobicContact CE1-CG2 3.47Å; F229-V235 VanDerWaalsContact CE1-CG2 3.47Å; F229-V235 HydrophobicContact CE2-CG1 4.44Å; F229-V235 HydrophobicContact CG-CG2 4.32Å; F229-V235 HydrophobicContact CZ-CG1 4.13Å; F229-V235 HydrophobicContact CZ-CG2 4.37Å; F229-I284 HydrophobicContact CD1-CD1 3.55Å; F229-I284 HydrophobicContact CD2-CD1 4.31Å; F229-I284 HydrophobicContact CE1-CD1 3.25Å; F229-I284 HydrophobicContact CE2-CD1 4.06Å; F229-I284 HydrophobicContact CG-CD1 4.09Å; F229-I284 HydrophobicContact CZ-CD1 3.54Å; F229-M287 HydrophobicContact CB-SD 4.13Å; F229-F658 HydrophobicContact CE2-CD1 4.1Å; F229-F658 HydrophobicContact CE2-CE1 4.14Å; F229-F658 HydrophobicContact CZ-CD1 4.31Å; F229-F658 AromaticContact CZ-CE1 3.92Å; F229-F658 HydrophobicContact CZ-CE1 3.92Å; F229-W692 HydrophobicContact CB-CB 4.14Å; F229-W692 HydrophobicContact CD2-CB 4.45Å; F229-W692 PolarHBondContact N-O 3.36Å; F229-A694 HydrophobicContact CE2-CB 3.75Å; F229-A694 HydrophobicContact CZ-CB 4.25Å
230	T	80.1	Confident	81.9	Confident	17 Å²	17	53.4 Å²	53.4	10%	0.104	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.1	-173.4	58.9	0	0	0	0	110.9	Y228 G232 K233 G234 V236 Y266	Y228-T230 HydrophobicContact CD1-CG2 3.62Å; Y228-T230 HydrophobicContact CE1-CG2 3.39Å; Y228-T230 HydrophobicContact CG-CG2 4.4Å; T230-G232 PolarHBondContact O-N 2.78Å; T230-K233 PolarHBondContact O-N 3.06Å; T230-K233 VanDerWaalsContact OG1-C 3.24Å; T230-K233 VanDerWaalsContact OG1-CB 3.24Å; T230-K233 WeakPolarHBondContact OG1-CB 3.48Å; T230-G234 PolarHBondContact N-O 2.69Å; T230-G234 PolarHBondContact O-N 3.29Å; T230-G234 VanDerWaalsContact OG1-C 3.3Å; T230-G234 PolarHBondContact OG1-N 3.03Å; T230-G234 VanDerWaalsContact OG1-N 3.13Å; T230-G234 PolarHBondContact OG1-O 3.31Å; T230-V236 HydrophobicContact CG2-CG2 4.42Å; T230-Y266 HydrophobicContact CG2-CD1 3.76Å; T230-Y266 HydrophobicContact CG2-CE1 3.85Å
231	D	74.4	Confident	83.1	Confident	92 Å²	92	47.1 Å²	47.1	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	108.1	-173.2	-151.4	-1.1	0	0	0	110.5	K233 K290	D231-K233 PolarHBondContact O-N 2.97Å; D231-K233 VanDerWaalsContact O-N 3.1Å; D231-K290 WeakPolarHBondContact OD2-CD 3.33Å
232	G	65.1	Low	83.6	Confident	81 Å²	81	41.8 Å²	41.8	84%	0.835	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	-2	-175.3	0	0	0	0	0	117.2	T230	T230-G232 PolarHBondContact O-N 2.78Å
233	K	72.5	Confident	83.6	Confident	99 Å²	99	42.7 Å²	42.7	43%	0.43	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.7	-174.8	-71.9	-171.3	-177.9	-165.2	0	115.1	T230 D231 L257 E265	T230-K233 PolarHBondContact O-N 3.06Å; T230-K233 VanDerWaalsContact OG1-C 3.24Å; T230-K233 VanDerWaalsContact OG1-CB 3.24Å; T230-K233 WeakPolarHBondContact OG1-CB 3.48Å; D231-K233 PolarHBondContact O-N 2.97Å; D231-K233 VanDerWaalsContact O-N 3.1Å; K233-L257 WeakPolarHBondContact O-CD1 3.39Å; K233-L257 WeakPolarHBondContact O-CD2 3.04Å; K233-E265 IonicContact NZ-OE1 3.27Å; K233-E265 PolarHBondContact NZ-OE1 2.97Å
234	G	78.4	Confident	83	Confident	36 Å²	36	38.8 Å²	38.8	37%	0.371	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.7	-151.8	178.9	0	0	0	0	0	114	T230	T230-G234 PolarHBondContact N-O 2.69Å; T230-G234 PolarHBondContact O-N 3.29Å; T230-G234 VanDerWaalsContact OG1-C 3.3Å; T230-G234 PolarHBondContact OG1-N 3.03Å; T230-G234 VanDerWaalsContact OG1-N 3.13Å; T230-G234 PolarHBondContact OG1-O 3.31Å
235	V	84.8	Confident	82.6	Confident	58 Å²	58	43.8 Å²	43.8	35%	0.352	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.2	-170.8	-173.6	0	0	0	0	110.1	R227 Y228 F229	R227-V235 HydrophobicContact CB-CG1 3.8Å; Y228-V235 WeakPolarHBondContact O-CA 3.41Å; F229-V235 HydrophobicContact CD1-CB 4.45Å; F229-V235 HydrophobicContact CD1-CG1 4.25Å; F229-V235 HydrophobicContact CD1-CG2 3.45Å; F229-V235 VanDerWaalsContact CD1-CG2 3.45Å; F229-V235 HydrophobicContact CE1-CB 4.44Å; F229-V235 HydrophobicContact CE1-CG1 4.03Å; F229-V235 HydrophobicContact CE1-CG2 3.47Å; F229-V235 VanDerWaalsContact CE1-CG2 3.47Å; F229-V235 HydrophobicContact CE2-CG1 4.44Å; F229-V235 HydrophobicContact CG-CG2 4.32Å; F229-V235 HydrophobicContact CZ-CG1 4.13Å; F229-V235 HydrophobicContact CZ-CG2 4.37Å
236	V	87.1	Confident	82.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	-174.2	173.8	0	0	0	0	111	R227 Y228 T230 F249 P251 D255 L257 V258 Y266	R227-V236 CarbonylContact C-O 3.56Å; R227-V236 WeakPolarHBondContact CA-O 3.15Å; Y228-V236 PolarHBondContact N-O 3.36Å; Y228-V236 PolarHBondContact O-N 2.72Å; T230-V236 HydrophobicContact CG2-CG2 4.42Å; V236-F249 HydrophobicContact CG1-CE1 4.42Å; V236-F249 HydrophobicContact CG1-CZ 4.4Å; V236-P251 HydrophobicContact CG1-CB 3.81Å; V236-D255 WeakPolarHBondContact CA-OD2 3.23Å; V236-L257 HydrophobicContact CG2-CB 3.96Å; V236-L257 HydrophobicContact CG2-CD1 3.84Å; V236-V258 HydrophobicContact CG1-CG2 3.42Å; V236-V258 VanDerWaalsContact CG1-CG2 3.42Å; V236-V258 HydrophobicContact CG2-CG2 4.41Å; V236-Y266 HydrophobicContact CG1-CG 4.45Å; V236-Y266 HydrophobicContact CG2-CD1 3.76Å; V236-Y266 HydrophobicContact CG2-CD2 4.4Å; V236-Y266 HydrophobicContact CG2-CE1 3.86Å; V236-Y266 HydrophobicContact CG2-CE2 4.48Å; V236-Y266 HydrophobicContact CG2-CG 4.03Å
237	G	85.7	Confident	82.5	Confident	14 Å²	14	41.6 Å²	41.6	14%	0.144	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.7	170.6	0	0	0	0	0	112.6	H252 D255	G237-H252 WeakPolarHBondContact O-CB 3.27Å; G237-H252 PolarHBondContact O-N 2.83Å; G237-D255 PolarHBondContact N-OD2 3.45Å
238	G	88.8	Confident	82.7	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-170.9	178.3	0	0	0	0	0	114.6	N225 C226 F249 D250 H252	N225-G238 WeakPolarHBondContact CA-O 3.48Å; C226-G238 PolarHBondContact N-O 3.07Å; C226-G238 PolarHBondContact O-N 3.43Å; C226-G238 VanDerWaalsContact O-O 3.12Å; G238-F249 VanDerWaalsContact CA-CE2 3.48Å; G238-D250 CarbonylContact C-O 3.25Å; G238-D250 VanDerWaalsContact CA-O 3.26Å; G238-D250 WeakPolarHBondContact CA-O 3.16Å; G238-H252 VanDerWaalsContact CA-CD2 3.49Å; G238-H252 WeakPolarHBondContact CA-CD2 3.33Å
239	V	87.9	Confident	82.9	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.1	172.7	177.7	0	0	0	0	108.4	K223 M224 I241 F249 D250	K223-V239 HydrophobicContact CD-CG1 4.26Å; K223-V239 HydrophobicContact CG-CG1 3.69Å; M224-V239 CarbonylContact O-C 3.56Å; M224-V239 WeakPolarHBondContact O-CA 3.39Å; V239-I241 HydrophobicContact CG1-CG1 3.98Å; V239-F249 CarbonylContact O-C 3.47Å; V239-F249 WeakPolarHBondContact O-CA 3.5Å; V239-D250 PolarHBondContact N-O 3.27Å; V239-D250 PolarHBondContact O-N 3.37Å
240	M	89.4	Confident	83	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135	164.9	-172.5	171.4	64.9	0	0	109.9	M224 V242 I247 M248 L659 I661 V695	M224-M240 HydrophobicContact CE-CE 4.07Å; M224-M240 HydrophobicContact CG-CB 4.11Å; M224-M240 HydrophobicContact CG-CE 4.03Å; M224-M240 PolarHBondContact N-O 3.09Å; M224-M240 PolarHBondContact O-N 3.49Å; M224-M240 HydrophobicContact SD-CE 3.42Å; M224-M240 WeakPolarHBondContact SD-CE 3.39Å; M240-V242 HydrophobicContact CE-CG2 4.09Å; M240-V242 HydrophobicContact CG-CG2 4.24Å; M240-V242 HydrophobicContact SD-CG2 4.38Å; M240-I247 HydrophobicContact CG-CG2 4.15Å; M240-I247 HydrophobicContact SD-CG2 4.03Å; M240-M248 CarbonylContact C-O 3.47Å; M240-M248 VanDerWaalsContact CA-O 3.28Å; M240-M248 WeakPolarHBondContact CA-O 3.33Å; M240-M248 WeakPolarHBondContact CG-O 3.3Å; M240-L659 HydrophobicContact CE-CD2 3.7Å; M240-L659 HydrophobicContact SD-CD2 4.13Å; M240-I661 HydrophobicContact SD-CD1 4.4Å; M240-V695 HydrophobicContact CE-CG2 4.5Å
241	I	89.5	Confident	83.4	Confident	34 Å²	34	37.4 Å²	37.4	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.8	174.7	-50.1	177.4	0	0	0	106.8	F221 L222 K223 V239 T243 M248	F221-I241 HydrophobicContact CB-CG2 4.36Å; F221-I241 HydrophobicContact CD2-CG2 4.14Å; L222-I241 WeakPolarHBondContact O-CA 3.46Å; K223-I241 HydrophobicContact CG-CG1 4.37Å; V239-I241 HydrophobicContact CG1-CG1 3.98Å; I241-T243 HydrophobicContact CG2-CG2 3.95Å; I241-M248 HydrophobicContact CB-CB 4.41Å; I241-M248 PolarHBondContact N-O 3.12Å; I241-M248 PolarHBondContact O-N 3.25Å
242	V	86.1	Confident	84	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.9	173.1	-175.5	0	0	0	0	107.1	F221 L222 M240 I247 L703 F706 F707	F221-V242 CarbonylContact C-O 3.54Å; F221-V242 VanDerWaalsContact CA-O 3.3Å; F221-V242 WeakPolarHBondContact CA-O 3.26Å; F221-V242 WeakPolarHBondContact CB-O 3.3Å; L222-V242 HydrophobicContact CB-CB 4.37Å; L222-V242 PolarHBondContact N-O 3.01Å; L222-V242 PolarHBondContact O-N 3.49Å; M240-V242 HydrophobicContact CE-CG2 4.09Å; M240-V242 HydrophobicContact CG-CG2 4.24Å; M240-V242 HydrophobicContact SD-CG2 4.38Å; V242-I247 HydrophobicContact CG1-CG1 4.34Å; V242-I247 HydrophobicContact CG2-CG2 4.47Å; V242-L703 HydrophobicContact CG2-CD1 4.04Å; V242-F706 HydrophobicContact CB-CE1 4.32Å; V242-F706 HydrophobicContact CG1-CD1 3.89Å; V242-F706 HydrophobicContact CG1-CE1 3.64Å; V242-F707 HydrophobicContact CG1-CE1 3.8Å; V242-F707 HydrophobicContact CG1-CZ 3.97Å
243	T	84.4	Confident	84.8	Confident	32 Å²	32	40.6 Å²	40.6	20%	0.196	22%	0.219	C	C	.	.			trans	-113.2	161.1	170.7	74.8	0	0	0	0	108.5	F221 I241 N245 N246 M272	F221-T243 HydrophobicContact CB-CG2 3.91Å; I241-T243 HydrophobicContact CG2-CG2 3.95Å; T243-N245 PolarHBondContact O-N 3.28Å; T243-N246 WeakPolarHBondContact CA-O 3.32Å; T243-N246 WeakPolarHBondContact CB-O 3.34Å; T243-N246 PolarHBondContact N-O 2.92Å; T243-N246 PolarHBondContact O-N 2.7Å; T243-N246 PolarHBondContact OG1-N 2.98Å; T243-N246 PolarHBondContact OG1-O 3.3Å; T243-M272 WeakPolarHBondContact O-CE 3.37Å
244	P	72.2	Confident	85.2	Confident	34 Å²	34	40.3 Å²	40.3	22%	0.221	23%	0.229	C	C	.	.	S	Bend	trans	-56.6	-35.6	-179.7	-24.5	34.4	0	0	0	112.9	K220 M272 W710	K220-P244 WeakPolarHBondContact O-CD 3.45Å; P244-M272 WeakPolarHBondContact O-CB 3.43Å; P244-M272 WeakPolarHBondContact O-CE 3.42Å; P244-W710 HydrophobicContact CB-CD2 4.14Å; P244-W710 HydrophobicContact CB-CE3 3.69Å; P244-W710 HydrophobicContact CB-CH2 4.25Å; P244-W710 HydrophobicContact CB-CZ3 3.73Å; P244-W710 HydrophobicContact CG-CD2 3.65Å; P244-W710 HydrophobicContact CG-CE3 3.53Å; P244-W710 HydrophobicContact CG-CH2 3.41Å; P244-W710 VanDerWaalsContact CG-CH2 3.41Å; P244-W710 HydrophobicContact CG-CZ2 3.51Å; P244-W710 HydrophobicContact CG-CZ3 3.4Å
245	N	77.3	Confident	85.4	Confident	110 Å²	110	39.7 Å²	39.7	59%	0.588	22%	0.218	S	C	*	.	S	Bend	trans	-96	-21.4	-174.9	-57.2	12.1	0	0	0	113	T243 P271 M272	T243-N245 PolarHBondContact O-N 3.28Å; N245-P271 CarbonylContact O-C 3.54Å; N245-P271 WeakPolarHBondContact O-CA 3.49Å; N245-M272 PolarHBondContact O-N 3Å
246	N	84	Confident	85.1	Confident	51 Å²	51	41.6 Å²	41.6	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.1	-173.6	-64.1	-92.8	0	0	0	112.7	T243 M248 I269 C270	T243-N246 WeakPolarHBondContact CA-O 3.32Å; T243-N246 WeakPolarHBondContact CB-O 3.34Å; T243-N246 PolarHBondContact N-O 2.92Å; T243-N246 PolarHBondContact O-N 2.7Å; T243-N246 PolarHBondContact OG1-N 2.98Å; T243-N246 PolarHBondContact OG1-O 3.3Å; N246-M248 HydrophobicContact CB-CG 4.38Å; N246-I269 HydrophobicContact CB-CG2 4.43Å; N246-C270 CarbonylContact C-O 3.31Å; N246-C270 VanDerWaalsContact CA-O 3.26Å; N246-C270 WeakPolarHBondContact CA-O 3.34Å
247	I	87.8	Confident	84.8	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.5	160.8	-54.9	-179.1	0	0	0	108.2	M240 V242 C270 M272 V275 I278 I661	M240-I247 HydrophobicContact CG-CG2 4.15Å; M240-I247 HydrophobicContact SD-CG2 4.03Å; V242-I247 HydrophobicContact CG1-CG1 4.34Å; V242-I247 HydrophobicContact CG2-CG2 4.47Å; I247-C270 PolarHBondContact N-O 2.89Å; I247-C270 PolarHBondContact O-N 2.96Å; I247-M272 HydrophobicContact CD1-SD 4.38Å; I247-M272 HydrophobicContact CG1-CE 4.47Å; I247-M272 HydrophobicContact CG1-SD 4.43Å; I247-V275 HydrophobicContact CD1-CG2 4.02Å; I247-I278 HydrophobicContact CD1-CD1 3.76Å; I247-I661 HydrophobicContact CD1-CD1 4.18Å; I247-I661 HydrophobicContact CG2-CD1 4.12Å
248	M	88.4	Confident	84.6	Confident	53 Å²	53	43.1 Å²	43.1	26%	0.261	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.2	178.1	-62.1	179.3	57.7	0	0	111	M240 I241 N246 L268 I269	M240-M248 CarbonylContact C-O 3.47Å; M240-M248 VanDerWaalsContact CA-O 3.28Å; M240-M248 WeakPolarHBondContact CA-O 3.33Å; M240-M248 WeakPolarHBondContact CG-O 3.3Å; I241-M248 HydrophobicContact CB-CB 4.41Å; I241-M248 PolarHBondContact N-O 3.12Å; I241-M248 PolarHBondContact O-N 3.25Å; N246-M248 HydrophobicContact CB-CG 4.38Å; M248-L268 CarbonylContact C-O 3.53Å; M248-L268 WeakPolarHBondContact CA-O 3.43Å; M248-I269 HydrophobicContact CE-CD1 3.97Å; M248-I269 HydrophobicContact CE-CG1 4.27Å; M248-I269 HydrophobicContact CG-CG1 4.1Å; M248-I269 HydrophobicContact CG-CG2 4.12Å
249	F	91.1	Very high	84.3	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.6	168.4	173.9	-99.2	0	0	0	110	C226 Y228 V236 G238 V239 P251 Y266 G267 L268 F693	C226-F249 VanDerWaalsContact SG-CD2 3.57Å; C226-F249 VanDerWaalsContact SG-CE2 3.51Å; Y228-F249 VanDerWaalsContact CB-CZ 3.48Å; Y228-F249 HydrophobicContact CD1-CD1 4.42Å; Y228-F249 HydrophobicContact CD1-CE1 4.06Å; Y228-F249 HydrophobicContact CG-CE1 4.17Å; V236-F249 HydrophobicContact CG1-CE1 4.42Å; V236-F249 HydrophobicContact CG1-CZ 4.4Å; G238-F249 VanDerWaalsContact CA-CE2 3.48Å; V239-F249 CarbonylContact O-C 3.47Å; V239-F249 WeakPolarHBondContact O-CA 3.5Å; F249-P251 HydrophobicContact CE1-CB 4.11Å; F249-Y266 WeakPolarHBondContact CD1-O 3.21Å; F249-G267 WeakPolarHBondContact O-CA 3.15Å; F249-L268 HydrophobicContact CB-CB 4.32Å; F249-L268 PolarHBondContact N-O 3.49Å; F249-L268 PolarHBondContact O-N 2.68Å; F249-F693 HydrophobicContact CB-CE1 4.01Å; F249-F693 HydrophobicContact CD1-CE1 4.35Å; F249-F693 HydrophobicContact CD2-CD1 4.12Å; F249-F693 AromaticContact CD2-CE1 3.88Å; F249-F693 HydrophobicContact CD2-CE1 3.88Å; F249-F693 HydrophobicContact CE2-CD1 4.4Å; F249-F693 HydrophobicContact CE2-CE1 4.44Å; F249-F693 AromaticContact CG-CE1 3.82Å; F249-F693 HydrophobicContact CG-CE1 3.82Å
250	D	88.3	Confident	83.9	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110	177.7	-73.1	-31.6	0	0	0	109.9	G238 V239	G238-D250 CarbonylContact C-O 3.25Å; G238-D250 VanDerWaalsContact CA-O 3.26Å; G238-D250 WeakPolarHBondContact CA-O 3.16Å; V239-D250 PolarHBondContact N-O 3.27Å; V239-D250 PolarHBondContact O-N 3.37Å
251	P	88.9	Confident	83.4	Confident	12 Å²	12	58.6 Å²	58.6	8%	0.078	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.2	-178.8	28.2	-37	0	0	0	112.3	V236 F249 K253 V258 C263	V236-P251 HydrophobicContact CG1-CB 3.81Å; F249-P251 HydrophobicContact CE1-CB 4.11Å; P251-K253 PolarHBondContact O-N 2.97Å; P251-V258 HydrophobicContact CB-CG1 4.43Å; P251-V258 HydrophobicContact CB-CG2 3.78Å; P251-C263 HydrophobicContact CG-CB 4.04Å
252	H	85.9	Confident	82.9	Confident	73 Å²	73	58.3 Å²	58.3	34%	0.338	32%	0.317	S	S	.	.			trans	-69.2	124.2	175.7	-77.8	-167.5	0	0	0	110.8	N225 G237 G238 S254 D255 V258	N225-H252 PolarHBondContact ND2-CE1 2.74Å; N225-H252 PolarHBondContact ND2-NE2 2.89Å; G237-H252 WeakPolarHBondContact O-CB 3.27Å; G237-H252 PolarHBondContact O-N 2.83Å; G238-H252 VanDerWaalsContact CA-CD2 3.49Å; G238-H252 WeakPolarHBondContact CA-CD2 3.33Å; H252-S254 PolarHBondContact O-N 2.8Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.94Å; H252-V258 WeakPolarHBondContact O-CG1 3.28Å
253	K	81.8	Confident	82.5	Confident	168 Å²	168	59.7 Å²	59.7	73%	0.73	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.2	176.8	-60.9	-175.3	179.4	-176.4	0	114.8	P251 I259	P251-K253 PolarHBondContact O-N 2.97Å; K253-I259 WeakPolarHBondContact O-CG1 3.49Å
254	S	80.6	Confident	82.2	Confident	93 Å²	93	63.6 Å²	63.6	65%	0.65	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-3.3	176	59.7	0	0	0	0	113.7	H252	H252-S254 PolarHBondContact O-N 2.8Å
255	D	84.2	Confident	82.4	Confident	23 Å²	23	65 Å²	65	12%	0.123	35%	0.346	C	S	.	.	S	Bend	trans	-76.8	133.6	178.8	-174	-69.3	0	0	0	110.6	V236 G237 H252 L257 V258 I259	V236-D255 WeakPolarHBondContact CA-OD2 3.23Å; G237-D255 PolarHBondContact N-OD2 3.45Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.94Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 3.24Å; D255-L257 PolarHBondContact OD1-N 2.85Å; D255-V258 HydrophobicContact CB-CB 4.03Å; D255-V258 HydrophobicContact CB-CG2 3.76Å; D255-V258 WeakPolarHBondContact O-CB 3.49Å; D255-V258 PolarHBondContact O-N 3.25Å; D255-I259 WeakPolarHBondContact O-CG1 3.49Å; D255-I259 PolarHBondContact O-N 2.86Å
256	P	78.4	Confident	82.6	Confident	98 Å²	98	60 Å²	60	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-54	-40.7	-176.1	-28.1	35.7	0	0	0	114.6	V258 I259 E260	P256-V258 VanDerWaalsContact C-N 3.31Å; P256-V258 PolarHBondContact O-N 3.02Å; P256-I259 PolarHBondContact O-N 2.8Å; P256-E260 PolarHBondContact O-N 3.31Å
257	L	79.4	Confident	82.7	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-33.8	-179	-68	171	0	0	0	111.4	K233 V236 D255 N261 Y266	K233-L257 WeakPolarHBondContact O-CD1 3.39Å; K233-L257 WeakPolarHBondContact O-CD2 3.04Å; V236-L257 HydrophobicContact CG2-CB 3.96Å; V236-L257 HydrophobicContact CG2-CD1 3.84Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 3.24Å; D255-L257 PolarHBondContact OD1-N 2.85Å; L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 3.45Å; L257-N261 PolarHBondContact O-ND2 3.33Å; L257-N261 VanDerWaalsContact O-ND2 3.13Å; L257-Y266 HydrophobicContact CB-CE2 4.33Å; L257-Y266 WeakPolarHBondContact O-CE2 3.34Å
258	V	82.7	Confident	82.6	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-74.8	-31.5	177.5	179.3	0	0	0	0	111.7	V236 P251 H252 D255 P256 G262 C263 Y266	V236-V258 HydrophobicContact CG1-CG2 3.42Å; V236-V258 VanDerWaalsContact CG1-CG2 3.42Å; V236-V258 HydrophobicContact CG2-CG2 4.41Å; P251-V258 HydrophobicContact CB-CG1 4.43Å; P251-V258 HydrophobicContact CB-CG2 3.78Å; H252-V258 WeakPolarHBondContact O-CG1 3.28Å; D255-V258 HydrophobicContact CB-CB 4.03Å; D255-V258 HydrophobicContact CB-CG2 3.76Å; D255-V258 WeakPolarHBondContact O-CB 3.49Å; D255-V258 PolarHBondContact O-N 3.25Å; P256-V258 VanDerWaalsContact C-N 3.31Å; P256-V258 PolarHBondContact O-N 3.02Å; V258-G262 CarbonylContact O-C 3.39Å; V258-G262 WeakPolarHBondContact O-CA 3.35Å; V258-G262 PolarHBondContact O-N 3.08Å; V258-C263 HydrophobicContact CG1-CB 3.78Å; V258-Y266 HydrophobicContact CG2-CD2 3.87Å; V258-Y266 HydrophobicContact CG2-CE2 4.35Å
259	I	81.3	Confident	82.6	Confident	118 Å²	118	57.2 Å²	57.2	61%	0.605	31%	0.305	S	S	*	.	H	α-helix	trans	-70	-39.8	172.6	-67.3	163.9	0	0	0	110.5	K253 D255 P256	K253-I259 WeakPolarHBondContact O-CG1 3.49Å; D255-I259 WeakPolarHBondContact O-CG1 3.49Å; D255-I259 PolarHBondContact O-N 2.86Å; P256-I259 PolarHBondContact O-N 2.8Å
260	E	81.1	Confident	82.3	Confident	151 Å²	151	57.2 Å²	57.2	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-75.4	-48.4	180	-176.4	178.8	-142.7	0	0	113.1	P256	P256-E260 PolarHBondContact O-N 3.31Å
261	N	78.7	Confident	82.1	Confident	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-105.3	-3.6	-170.5	-57.4	-88.8	0	0	0	113.8	L257 Y266	L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 3.45Å; L257-N261 PolarHBondContact O-ND2 3.33Å; L257-N261 VanDerWaalsContact O-ND2 3.13Å; N261-Y266 HydrophobicContact CB-CE2 3.93Å; N261-Y266 PolarHBondContact ND2-OH 2.72Å
262	G	79.5	Confident	81.5	Confident	28 Å²	28	56.3 Å²	56.3	29%	0.289	30%	0.299	S	S	.	.			trans	84.5	150.5	179.6	0	0	0	0	0	114.5	V258 E264 E265	V258-G262 CarbonylContact O-C 3.39Å; V258-G262 WeakPolarHBondContact O-CA 3.35Å; V258-G262 PolarHBondContact O-N 3.08Å; G262-E264 PolarHBondContact O-N 3.03Å; G262-E265 PolarHBondContact O-N 3.48Å
263	C	77.1	Confident	80.9	Confident	30 Å²	30	60.2 Å²	60.2	20%	0.203	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-18.3	177.9	59	0	0	0	0	114.5	P251 V258 E265 G267	P251-C263 HydrophobicContact CG-CB 4.04Å; V258-C263 HydrophobicContact CG1-CB 3.78Å; C263-E265 VanDerWaalsContact C-N 3.28Å; C263-E265 PolarHBondContact O-N 2.93Å; C263-G267 PolarHBondContact O-N 3.44Å; C263-G267 VanDerWaalsContact O-N 3.12Å
264	E	76.8	Confident	80.8	Confident	114 Å²	114	52.9 Å²	52.9	53%	0.533	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-24.1	177.5	-50.1	-166.4	174.8	0	0	113.1	G262 K669 F671	G262-E264 PolarHBondContact O-N 3.03Å; E264-K669 WeakPolarHBondContact O-CD 3.44Å; E264-F671 HydrophobicContact CB-CB 3.92Å; E264-F671 HydrophobicContact CG-CB 3.63Å; E264-F671 HydrophobicContact CG-CG 4.22Å
265	E	77.1	Confident	80.7	Confident	63 Å²	63	48.6 Å²	48.6	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-74.5	-30.9	179.8	-178.4	61.4	-170.1	0	0	112.7	K233 G262 C263 K669	K233-E265 IonicContact NZ-OE1 3.27Å; K233-E265 PolarHBondContact NZ-OE1 2.97Å; G262-E265 PolarHBondContact O-N 3.48Å; C263-E265 VanDerWaalsContact C-N 3.28Å; C263-E265 PolarHBondContact O-N 2.93Å; E265-K669 VanDerWaalsContact CD-NZ 3.31Å; E265-K669 WeakPolarHBondContact O-CE 3.37Å; E265-K669 IonicContact OE1-NZ 3.66Å; E265-K669 IonicContact OE2-NZ 2.83Å; E265-K669 PolarHBondContact OE2-NZ 2.9Å
266	Y	81.6	Confident	80.2	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-116	-8	-169.9	-52.7	-77.6	0	0	0	115	T230 V236 F249 L257 V258 N261 L268	T230-Y266 HydrophobicContact CG2-CD1 3.76Å; T230-Y266 HydrophobicContact CG2-CE1 3.85Å; V236-Y266 HydrophobicContact CG1-CG 4.45Å; V236-Y266 HydrophobicContact CG2-CD1 3.76Å; V236-Y266 HydrophobicContact CG2-CD2 4.4Å; V236-Y266 HydrophobicContact CG2-CE1 3.86Å; V236-Y266 HydrophobicContact CG2-CE2 4.48Å; V236-Y266 HydrophobicContact CG2-CG 4.03Å; F249-Y266 WeakPolarHBondContact CD1-O 3.21Å; L257-Y266 HydrophobicContact CB-CE2 4.33Å; L257-Y266 WeakPolarHBondContact O-CE2 3.34Å; V258-Y266 HydrophobicContact CG2-CD2 3.87Å; V258-Y266 HydrophobicContact CG2-CE2 4.35Å; N261-Y266 HydrophobicContact CB-CE2 3.93Å; N261-Y266 PolarHBondContact ND2-OH 2.72Å; Y266-L268 PolarHBondContact O-N 2.73Å
267	G	85.5	Confident	80.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.			trans	-69	126.7	171.1	0	0	0	0	0	110.9	F249 C263 K669 S670	F249-G267 WeakPolarHBondContact O-CA 3.15Å; C263-G267 PolarHBondContact O-N 3.44Å; C263-G267 VanDerWaalsContact O-N 3.12Å; G267-K669 CarbonylContact O-C 3.59Å; G267-K669 VanDerWaalsContact O-CA 3.25Å; G267-K669 WeakPolarHBondContact O-CA 3.5Å; G267-S670 WeakPolarHBondContact CA-OG 3.31Å; G267-S670 PolarHBondContact O-N 2.79Å
268	L	86.9	Confident	80.3	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.047	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.2	-178.8	-55.7	173.1	0	0	0	112.2	Y228 M248 F249 Y266 M667 R668 S670 Y691 F693	Y228-L268 HydrophobicContact CD1-CD1 4.17Å; Y228-L268 HydrophobicContact CD2-CD1 4.32Å; Y228-L268 HydrophobicContact CE1-CD1 3.76Å; Y228-L268 HydrophobicContact CE1-CG 4.48Å; Y228-L268 HydrophobicContact CE2-CD1 3.97Å; Y228-L268 HydrophobicContact CG-CD1 4.46Å; M248-L268 CarbonylContact C-O 3.53Å; M248-L268 WeakPolarHBondContact CA-O 3.43Å; F249-L268 HydrophobicContact CB-CB 4.32Å; F249-L268 PolarHBondContact N-O 3.49Å; F249-L268 PolarHBondContact O-N 2.68Å; Y266-L268 PolarHBondContact O-N 2.73Å; L268-M667 HydrophobicContact CB-CB 4.26Å; L268-M667 HydrophobicContact CB-CE 3.6Å; L268-M667 HydrophobicContact CB-SD 4.1Å; L268-M667 HydrophobicContact CD1-CE 4.34Å; L268-M667 HydrophobicContact CD1-SD 3.93Å; L268-M667 HydrophobicContact CD2-CB 4.22Å; L268-R668 CarbonylContact C-O 3.51Å; L268-R668 WeakPolarHBondContact CA-O 3.42Å; L268-S670 PolarHBondContact N-OG 3.22Å; L268-S670 PolarHBondContact O-OG 2.81Å; L268-Y691 HydrophobicContact CD1-CD1 3.64Å; L268-Y691 HydrophobicContact CD1-CE1 3.96Å; L268-Y691 HydrophobicContact CD2-CE1 4.12Å; L268-F693 HydrophobicContact CD1-CE1 4.43Å; L268-F693 HydrophobicContact CD1-CZ 4.04Å
269	I	87.9	Confident	80.2	Confident	40 Å²	40	41.8 Å²	41.8	21%	0.205	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.4	168.5	-52.5	-175.5	0	0	0	109	N246 M248 R668 S670	N246-I269 HydrophobicContact CB-CG2 4.43Å; M248-I269 HydrophobicContact CE-CD1 3.97Å; M248-I269 HydrophobicContact CE-CG1 4.27Å; M248-I269 HydrophobicContact CG-CG1 4.1Å; M248-I269 HydrophobicContact CG-CG2 4.12Å; I269-R668 PolarHBondContact N-O 2.88Å; I269-R668 PolarHBondContact O-N 3.02Å; I269-S670 WeakPolarHBondContact CG1-OG 3.23Å
270	C	85.1	Confident	80.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.5	166.6	-165.8	0	0	0	0	109	N246 I247 V663 M667	N246-C270 CarbonylContact C-O 3.31Å; N246-C270 VanDerWaalsContact CA-O 3.26Å; N246-C270 WeakPolarHBondContact CA-O 3.34Å; I247-C270 PolarHBondContact N-O 2.89Å; I247-C270 PolarHBondContact O-N 2.96Å; C270-V663 HydrophobicContact CB-CG1 4.49Å; C270-V663 WeakPolarHBondContact SG-CG1 3.43Å; C270-M667 HydrophobicContact CB-CE 3.62Å; C270-M667 HydrophobicContact CB-CG 3.94Å; C270-M667 HydrophobicContact CB-SD 4.38Å
271	P	83.5	Confident	79.9	Confident	13 Å²	13	29.9 Å²	29.9	8%	0.084	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	147.6	161	-19.6	32.7	0	0	0	110.2	N245 E273 E274	N245-P271 CarbonylContact O-C 3.54Å; N245-P271 WeakPolarHBondContact O-CA 3.49Å; P271-E273 WeakPolarHBondContact CB-OE2 3.42Å; P271-E273 PolarHBondContact O-N 2.69Å; P271-E274 HydrophobicContact CB-CG 4.26Å; P271-E274 WeakPolarHBondContact CD-OE2 3.44Å; P271-E274 HydrophobicContact CG-CG 4.2Å; P271-E274 PolarHBondContact O-N 3.39Å
272	M	76.5	Confident	79.6	Confident	31 Å²	31	29.3 Å²	29.3	15%	0.153	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.5	-32.6	-179.7	-163	70.3	81.5	0	0	111.1	T243 P244 N245 I247 E274 V275 F707 F724	T243-M272 WeakPolarHBondContact O-CE 3.37Å; P244-M272 WeakPolarHBondContact O-CB 3.43Å; P244-M272 WeakPolarHBondContact O-CE 3.42Å; N245-M272 PolarHBondContact O-N 3Å; I247-M272 HydrophobicContact CD1-SD 4.38Å; I247-M272 HydrophobicContact CG1-CE 4.47Å; I247-M272 HydrophobicContact CG1-SD 4.43Å; M272-E274 PolarHBondContact O-N 2.97Å; M272-V275 WeakPolarHBondContact O-CB 3.19Å; M272-V275 PolarHBondContact O-N 2.64Å; M272-V275 VanDerWaalsContact O-N 3.09Å; M272-V275 HydrophobicContact SD-CG2 4.26Å; M272-F707 HydrophobicContact CE-CE1 4.21Å; M272-F724 HydrophobicContact CG-CE2 4.22Å; M272-F724 HydrophobicContact CG-CZ 4.23Å
273	E	74	Confident	79.1	Confident	156 Å²	156	31.5 Å²	31.5	73%	0.729	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-72.3	-5.4	177.2	-28.9	88.7	160.5	0	0	113.4	P271	P271-E273 WeakPolarHBondContact CB-OE2 3.42Å; P271-E273 PolarHBondContact O-N 2.69Å
274	E	78.1	Confident	78.7	Confident	14 Å²	14	32.5 Å²	32.5	7%	0.065	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-101.6	-5	172.3	-60.5	-170.9	155.6	0	0	112.5	P271 M272 V663 G664 K665 R668	P271-E274 HydrophobicContact CB-CG 4.26Å; P271-E274 WeakPolarHBondContact CD-OE2 3.44Å; P271-E274 HydrophobicContact CG-CG 4.2Å; P271-E274 PolarHBondContact O-N 3.39Å; M272-E274 PolarHBondContact O-N 2.97Å; E274-V663 CarbonylContact O-C 3.6Å; E274-V663 WeakPolarHBondContact O-CA 3.1Å; E274-V663 VanDerWaalsContact O-CB 3.29Å; E274-V663 WeakPolarHBondContact O-CB 3.49Å; E274-G664 PolarHBondContact O-N 3.35Å; E274-K665 WeakPolarHBondContact OE1-CD 2.91Å; E274-K665 WeakPolarHBondContact OE1-CE 3.11Å; E274-K665 IonicContact OE1-NZ 2.72Å; E274-K665 PolarHBondContact OE1-NZ 2.88Å; E274-R668 IonicContact OE1-CZ 2.57Å; E274-R668 IonicContact OE1-NH2 2.69Å; E274-R668 PolarHBondContact OE1-NH2 3.45Å; E274-R668 IonicContact OE2-CZ 3.76Å; E274-R668 IonicContact OE2-NE 3.25Å; E274-R668 PolarHBondContact OE2-NE 2.73Å; E274-R668 IonicContact OE2-NH2 3.12Å; E274-R668 PolarHBondContact OE2-NH2 3.48Å; E274-R668 VanDerWaalsContact OE2-NH2 3.12Å
275	V	79.2	Confident	77.9	Confident	3 Å²	3	31 Å²	31	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142	173	-178.2	0	0	0	0	110.4	I247 M272 I278 I661 F724 T751	I247-V275 HydrophobicContact CD1-CG2 4.02Å; M272-V275 WeakPolarHBondContact O-CB 3.19Å; M272-V275 PolarHBondContact O-N 2.64Å; M272-V275 VanDerWaalsContact O-N 3.09Å; M272-V275 HydrophobicContact SD-CG2 4.26Å; V275-I278 HydrophobicContact CG1-CD1 4.01Å; V275-I278 HydrophobicContact CG1-CG1 3.72Å; V275-I661 HydrophobicContact CG1-CG2 4.31Å; V275-F724 HydrophobicContact CB-CE1 4.46Å; V275-F724 HydrophobicContact CB-CZ 4.35Å; V275-F724 HydrophobicContact CG1-CE1 4.36Å; V275-T751 WeakPolarHBondContact O-CG2 3.45Å
276	V	73.9	Confident	77	Confident	18 Å²	18	31.4 Å²	31.4	11%	0.109	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-40.2	-177.1	174.3	0	0	0	0	112.1	K662 G664 T751 E754	V276-K662 PolarHBondContact N-O 2.81Å; V276-G664 VanDerWaalsContact CG2-N 3.32Å; V276-T751 PolarHBondContact O-N 3.35Å; V276-E754 HydrophobicContact CG1-CB 4.46Å; V276-E754 HydrophobicContact CG1-CG 3.44Å; V276-E754 VanDerWaalsContact CG1-CG 3.44Å; V276-E754 WeakPolarHBondContact CG1-OE2 3.25Å
277	S	77.6	Confident	76	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	141.9	169.5	63.5	0	0	0	0	112	K662 I749	S277-K662 PolarHBondContact N-O 3.12Å; S277-K662 PolarHBondContact O-N 2.83Å; S277-K662 WeakPolarHBondContact OG-CB 3.47Å; S277-K662 WeakPolarHBondContact OG-CD 3.24Å; S277-K662 VanDerWaalsContact OG-CG 3.3Å; S277-K662 WeakPolarHBondContact OG-CG 3.44Å; S277-I749 CarbonylContact C-O 3.53Å; S277-I749 VanDerWaalsContact CA-O 3.29Å; S277-I749 WeakPolarHBondContact CA-O 3.43Å
278	I	83.1	Confident	74.5	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.1	173.6	-57.3	-177.9	0	0	0	107.8	I247 V275 L659 C660 I661 F707 W747 E748 I749	I247-I278 HydrophobicContact CD1-CD1 3.76Å; V275-I278 HydrophobicContact CG1-CD1 4.01Å; V275-I278 HydrophobicContact CG1-CG1 3.72Å; I278-L659 HydrophobicContact CG2-CD1 3.47Å; I278-L659 VanDerWaalsContact CG2-CD1 3.47Å; I278-L659 HydrophobicContact CG2-CG 4.15Å; I278-C660 WeakPolarHBondContact CA-O 3.47Å; I278-I661 HydrophobicContact CG1-CG2 4.32Å; I278-F707 HydrophobicContact CD1-CE1 3.91Å; I278-F707 HydrophobicContact CD1-CE2 3.96Å; I278-F707 HydrophobicContact CD1-CZ 3.39Å; I278-F707 HydrophobicContact CG2-CE2 4.38Å; I278-W747 HydrophobicContact CG2-CH2 4.44Å; I278-W747 HydrophobicContact CG2-CZ3 4.06Å; I278-E748 WeakPolarHBondContact O-CA 3.4Å; I278-I749 PolarHBondContact N-O 3.03Å; I278-I749 PolarHBondContact O-N 2.71Å
279	A	80.1	Confident	72.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.8	-178.1	0	0	0	0	0	110.9	Y281 C660 E748	A279-Y281 HydrophobicContact CB-CD2 4.39Å; A279-Y281 HydrophobicContact CB-CE2 3.64Å; A279-C660 HydrophobicContact CB-CB 4.49Å; A279-C660 PolarHBondContact N-O 2.77Å; A279-C660 PolarHBondContact O-N 2.8Å; A279-E748 HydrophobicContact CB-CB 4.26Å; A279-E748 HydrophobicContact CB-CG 3.73Å
280	L	79.9	Confident	70.6	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.7	178.8	-168.3	73.3	0	0	0	112.6	M657 L659 V700 K745 S746 W747	L280-M657 HydrophobicContact CD1-CB 3.78Å; L280-M657 HydrophobicContact CD2-CB 4.05Å; L280-M657 HydrophobicContact CD2-CE 3.98Å; L280-M657 HydrophobicContact CD2-SD 3.97Å; L280-M657 HydrophobicContact CG-CB 3.94Å; L280-M657 HydrophobicContact CG-CE 4.12Å; L280-L659 HydrophobicContact CD1-CB 3.92Å; L280-L659 HydrophobicContact CD1-CD1 3.89Å; L280-V700 HydrophobicContact CD2-CB 4.06Å; L280-V700 HydrophobicContact CD2-CG1 3.26Å; L280-V700 HydrophobicContact CD2-CG2 3.62Å; L280-K745 WeakPolarHBondContact O-CA 3.49Å; L280-S746 WeakPolarHBondContact CD2-OG 3.26Å; L280-S746 PolarHBondContact O-N 2.72Å; L280-S746 PolarHBondContact O-OG 2.8Å; L280-S746 VanDerWaalsContact O-OG 3.1Å; L280-W747 HydrophobicContact CB-CD2 4.08Å; L280-W747 HydrophobicContact CB-CE3 4.33Å; L280-W747 HydrophobicContact CB-CH2 4.41Å; L280-W747 HydrophobicContact CB-CZ2 4.16Å; L280-W747 HydrophobicContact CB-CZ3 4.49Å; L280-W747 HydrophobicContact CD2-CZ2 3.8Å; L280-W747 PolarHBondContact N-O 3.33Å
281	Y	75.9	Confident	68.4	Low	19 Å²	19	58 Å²	58	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.9	-175	-62.1	-97.7	0	0	0	112.4	A279 D283 H286 F658 C660 W692 K745	A279-Y281 HydrophobicContact CB-CD2 4.39Å; A279-Y281 HydrophobicContact CB-CE2 3.64Å; Y281-D283 VanDerWaalsContact C-N 3.34Å; Y281-D283 WeakPolarHBondContact CB-O 3.35Å; Y281-H286 HydrophobicContact CD1-CB 4.05Å; Y281-H286 AromaticContact CD1-CD2 3.44Å; Y281-H286 VanDerWaalsContact CD1-CD2 3.44Å; Y281-H286 WeakPolarHBondContact CD1-CD2 3.47Å; Y281-H286 AromaticContact CD1-CG 3.61Å; Y281-H286 AromaticContact CD1-NE2 3.92Å; Y281-H286 HydrophobicContact CE1-CB 3.95Å; Y281-H286 AromaticContact CE1-CD2 3.94Å; Y281-H286 AromaticContact CE1-CG 3.64Å; Y281-H286 AromaticContact CE1-ND1 3.88Å; Y281-F658 PolarHBondContact N-O 3.2Å; Y281-F658 PolarHBondContact O-N 2.99Å; Y281-C660 HydrophobicContact CD2-CB 4.28Å; Y281-C660 HydrophobicContact CE2-CB 3.8Å; Y281-W692 AromaticContact CD2-CH2 3.81Å; Y281-W692 HydrophobicContact CD2-CH2 3.81Å; Y281-W692 AromaticContact CD2-CZ3 3.64Å; Y281-W692 HydrophobicContact CD2-CZ3 3.64Å; Y281-W692 AromaticContact CE2-CH2 3.62Å; Y281-W692 HydrophobicContact CE2-CH2 3.62Å; Y281-W692 AromaticContact CE2-CZ3 3.92Å; Y281-W692 HydrophobicContact CE2-CZ3 3.92Å; Y281-W692 HydrophobicContact CG-CH2 4.43Å; Y281-W692 HydrophobicContact CG-CZ3 4.25Å; Y281-K745 HydrophobicContact CD1-CG 3.98Å; Y281-K745 HydrophobicContact CE1-CD 4.45Å; Y281-K745 HydrophobicContact CE1-CG 3.85Å
282	N	71.5	Confident	65.9	Low	67 Å²	67	61.5 Å²	61.5	36%	0.358	32%	0.322	S	S	.	.	S	Bend	trans	-76.8	-18.2	171.7	-71.2	-74	0	0	0	113.6	M657 T744	N282-M657 WeakPolarHBondContact OD1-CE 3.45Å; N282-T744 PolarHBondContact N-O 3.42Å; N282-T744 PolarHBondContact ND2-O 2.96Å
283	D	69.1	Low	64	Low	74 Å²	74	66.3 Å²	66.3	40%	0.396	35%	0.348	S	S	.	.			trans	-142.7	153.3	-176.9	-176.5	27.2	0	0	0	111.9	Y281 S285 F658	Y281-D283 VanDerWaalsContact C-N 3.34Å; Y281-D283 WeakPolarHBondContact CB-O 3.35Å; D283-S285 WeakPolarHBondContact OD2-CB 3.47Å; D283-S285 PolarHBondContact OD2-OG 2.88Å; D283-F658 VanDerWaalsContact C-CD2 3.48Å
284	I	70	Confident	62.2	Low	50 Å²	50	64.8 Å²	64.8	26%	0.256	35%	0.351	S	S	.	.	S	Bend	trans	-87.9	-9.7	-177.7	-166.2	164.6	0	0	0	113.6	F229 H286 M287 F658	F229-I284 HydrophobicContact CD1-CD1 3.55Å; F229-I284 HydrophobicContact CD2-CD1 4.31Å; F229-I284 HydrophobicContact CE1-CD1 3.25Å; F229-I284 HydrophobicContact CE2-CD1 4.06Å; F229-I284 HydrophobicContact CG-CD1 4.09Å; F229-I284 HydrophobicContact CZ-CD1 3.54Å; I284-H286 PolarHBondContact O-N 3.47Å; I284-M287 HydrophobicContact CD1-CE 4.44Å; I284-M287 HydrophobicContact CG1-CB 4.16Å; I284-M287 VanDerWaalsContact O-CB 3.29Å; I284-M287 WeakPolarHBondContact O-CB 3.38Å; I284-M287 PolarHBondContact O-N 2.86Å; I284-F658 HydrophobicContact CB-CD1 3.9Å; I284-F658 HydrophobicContact CB-CD2 4.21Å; I284-F658 HydrophobicContact CB-CE1 3.8Å; I284-F658 HydrophobicContact CB-CE2 4.11Å; I284-F658 HydrophobicContact CB-CG 4.11Å; I284-F658 HydrophobicContact CB-CZ 3.91Å; I284-F658 HydrophobicContact CD1-CD1 3.99Å; I284-F658 HydrophobicContact CD1-CE1 3.85Å; I284-F658 HydrophobicContact CG1-CD1 4.14Å; I284-F658 HydrophobicContact CG1-CE1 4.25Å; I284-F658 HydrophobicContact CG2-CE1 4.49Å; I284-F658 HydrophobicContact CG2-CZ 4.31Å
285	S	59.3	Low	60.1	Low	82 Å²	82	69.2 Å²	69.2	57%	0.573	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-22.4	176.5	55	0	0	0	0	114.6	D283 M287	D283-S285 WeakPolarHBondContact OD2-CB 3.47Å; D283-S285 PolarHBondContact OD2-OG 2.88Å; S285-M287 PolarHBondContact O-N 3.29Å
286	H	57.5	Low	58	Low	73 Å²	73	75.6 Å²	75.6	34%	0.338	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15	173.2	-67.1	-80.2	0	0	0	114.5	Y281 I284 K288 W692 T744	Y281-H286 HydrophobicContact CD1-CB 4.05Å; Y281-H286 AromaticContact CD1-CD2 3.44Å; Y281-H286 VanDerWaalsContact CD1-CD2 3.44Å; Y281-H286 WeakPolarHBondContact CD1-CD2 3.47Å; Y281-H286 AromaticContact CD1-CG 3.61Å; Y281-H286 AromaticContact CD1-NE2 3.92Å; Y281-H286 HydrophobicContact CE1-CB 3.95Å; Y281-H286 AromaticContact CE1-CD2 3.94Å; Y281-H286 AromaticContact CE1-CG 3.64Å; Y281-H286 AromaticContact CE1-ND1 3.88Å; I284-H286 PolarHBondContact O-N 3.47Å; H286-K288 PolarHBondContact O-N 2.98Å; H286-K288 VanDerWaalsContact O-N 3.16Å; H286-W692 HydrophobicContact CB-CH2 3.8Å; H286-T744 PolarHBondContact NE2-OG1 3.25Å
287	M	60.7	Low	56.1	Low	59 Å²	59	82.2 Å²	82.2	29%	0.291	45%	0.452	S	S	.	.			trans	-76.6	98.3	-178.6	-171.2	-177.6	71.4	0	0	112.1	F229 I284 S285 I289 W692	F229-M287 HydrophobicContact CB-SD 4.13Å; I284-M287 HydrophobicContact CD1-CE 4.44Å; I284-M287 HydrophobicContact CG1-CB 4.16Å; I284-M287 VanDerWaalsContact O-CB 3.29Å; I284-M287 WeakPolarHBondContact O-CB 3.38Å; I284-M287 PolarHBondContact O-N 2.86Å; S285-M287 PolarHBondContact O-N 3.29Å; M287-I289 HydrophobicContact CE-CG1 4.3Å; M287-I289 PolarHBondContact O-N 2.98Å; M287-W692 HydrophobicContact CB-CD2 4.3Å; M287-W692 HydrophobicContact CB-CZ2 4.39Å; M287-W692 HydrophobicContact CG-CD2 4.25Å; M287-W692 HydrophobicContact CG-CG 4.19Å; M287-W692 HydrophobicContact SD-CB 4.34Å; M287-W692 HydrophobicContact SD-CG 4.2Å
288	K	54	Low	53.9	Low	171 Å²	171	86.7 Å²	86.7	74%	0.743	48%	0.481	S	S	*	.			trans	-84	93.7	178.5	-67.6	175.3	-176.7	174.4	0	111.1	H286	H286-K288 PolarHBondContact O-N 2.98Å; H286-K288 VanDerWaalsContact O-N 3.16Å
289	I	51.3	Low	51.8	Low	114 Å²	114	96 Å²	96	59%	0.585	53%	0.525	S	S	*	.			trans	-48.9	139.1	173.1	-57.6	173	0	0	0	110.2	M287	M287-I289 HydrophobicContact CE-CG1 4.3Å; M287-I289 PolarHBondContact O-N 2.98Å
290	K	43.2	Very low	49.8	Very low	99 Å²	99	103 Å²	103	43%	0.43	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	150	-176.1	-69.9	161.7	-171.2	150.9	0	111.4	D231	D231-K290 WeakPolarHBondContact OD2-CD 3.33Å
291	D	38.6	Very low	47.4	Very low	171 Å²	171	109.9 Å²	109.9	91%	0.914	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.9	30.2	174.8	-59.3	-15.4	0	0	0	118.4
292	A	30.1	Very low	45.3	Very low	86 Å²	86	115.2 Å²	115.2	71%	0.711	64%	0.637	S	S	*	*			trans	-90.1	121.7	159.2	0	0	0	0	0	111.6
293	L	36.1	Very low	43.4	Very low	131 Å²	131	117.1 Å²	117.1	69%	0.686	65%	0.653	S	S	*	*			trans	-83.1	142.6	169.6	-76.1	173.9	0	0	0	110.7	S295	L293-S295 PolarHBondContact O-N 3Å
294	P	37.4	Very low	41.5	Very low	124 Å²	124	120.4 Å²	120.4	81%	0.805	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	30.2	-172	-20	34.5	0	0	0	116.8
295	S	33	Very low	39.7	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.2	-12.7	-174.4	-56.3	0	0	0	0	115.2	L293	L293-S295 PolarHBondContact O-N 3Å
296	D	34.7	Very low	38.2	Very low	137 Å²	137	133.1 Å²	133.1	73%	0.733	70%	0.703	S	S	*	*			trans	-112.2	51.2	179.9	-72.4	-57.2	0	0	0	111.3	P298	D296-P298 WeakPolarHBondContact O-CD 3.45Å
297	L	35.3	Very low	37	Very low	156 Å²	156	135.8 Å²	135.8	82%	0.817	73%	0.727	S	S	*	*			trans	-88.8	101.5	168.5	-95.2	165.3	0	0	0	110	Q299	L297-Q299 PolarHBondContact O-N 3.2Å
298	P	30.6	Very low	35.5	Very low	94 Å²	94	136 Å²	136	61%	0.61	74%	0.744	S	S	*	*			trans	-66.2	119	160.2	28.9	-32.6	0	0	0	108	D296 D300	D296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-D300 PolarHBondContact O-N 3.5Å
299	Q	39.1	Very low	34.5	Very low	201 Å²	201	134.1 Å²	134.1	94%	0.939	74%	0.738	S	S	*	*	S	Bend	trans	-75.6	28.8	-165.9	-157.7	171.1	2.1	0	0	114.3	L297	L297-Q299 PolarHBondContact O-N 3.2Å
300	D	38.5	Very low	33.9	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	75%	0.75	S	S	*	*			trans	-152.7	37.7	-164.3	-144.3	-0.6	0	0	0	113.7	P298	P298-D300 PolarHBondContact O-N 3.5Å
301	L	30.1	Very low	33.5	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	77%	0.766	S	S	*	*			trans	-133.2	56.4	168.5	-79.8	-178.3	0	0	0	112.3
302	C	30.3	Very low	33.3	Very low	131 Å²	131	141.7 Å²	141.7	89%	0.885	76%	0.763	S	S	*	*			trans	-144.1	70	158	-100.9	0	0	0	0	111.8
303	P	31.8	Very low	33.4	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	77%	0.774	S	S	*	*			trans	-70.6	136	160.4	-6.2	24.1	0	0	0	109.6
304	L	30.5	Very low	33	Very low	143 Å²	143	144.3 Å²	144.3	75%	0.749	78%	0.777	S	S	*	*			trans	66.1	77.9	164.7	-58	167.5	0	0	0	117.5
305	Y	31.4	Very low	32.7	Very low	200 Å²	200	143 Å²	143	78%	0.784	77%	0.771	S	S	*	*				-138.6	92.1	129.2	-151.7	-101.5	0	0	0	111.2
306	R	28.4	Very low	32.7	Very low	199 Å²	199	145.6 Å²	145.6	75%	0.751	77%	0.771	S	S	*	*			trans	-110.3	131.7	163.5	-82.5	-173.3	175.2	-178.6	-0.7	108.2	G308	R306-G308 PolarHBondContact O-N 2.75Å
307	P	32.2	Very low	32.7	Very low	128 Å²	128	147.8 Å²	147.8	83%	0.831	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	38.7	176.6	-22.7	35.6	0	0	0	116.1
308	G	29.8	Very low	32.5	Very low	64 Å²	64	147.9 Å²	147.9	66%	0.66	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.1	11.2	-168.6	0	0	0	0	0	117.1	R306	R306-G308 PolarHBondContact O-N 2.75Å
309	E	31.6	Very low	32.7	Very low	132 Å²	132	151.8 Å²	151.8	62%	0.617	79%	0.789	S	S	*	*			trans	-133.5	90.6	177.2	-71.8	169.1	-160	0	0	108.6
310	W	39.4	Very low	32.5	Very low	220 Å²	220	148 Å²	148	83%	0.833	78%	0.776	S	S	*	*			trans	-134.1	-8.3	177.1	-98.6	74.3	0	0	0	114.7
311	E	34.4	Very low	32.4	Very low	166 Å²	166	146.3 Å²	146.3	78%	0.776	77%	0.773	S	S	*	*	S	Bend	trans	-70.8	147.8	163.4	-74.7	64	-147.1	0	0	111.7
312	D	34.2	Very low	32.3	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	78%	0.775	S	S	*	*			trans	58.3	74.7	172.1	-69.8	-14.3	0	0	0	119.6
313	L	33.2	Very low	32.7	Very low	183 Å²	183	147.3 Å²	147.3	96%	0.958	77%	0.77	S	S	*	*				-139.5	138.8	120.9	-80.7	-170	0	0	0	110.8
314	A	27.9	Very low	32.8	Very low	90 Å²	90	151.6 Å²	151.6	74%	0.744	78%	0.778	S	S	*	*			trans	-101.6	142.4	-154.8	0	0	0	0	0	116.9
315	S	31.3	Very low	32.9	Very low	97 Å²	97	154.2 Å²	154.2	68%	0.678	78%	0.784	S	S	*	*			trans	51.4	126.3	146.4	63.5	0	0	0	0	121.8	K317	S315-K317 PolarHBondContact O-N 3.41Å
316	E	31.5	Very low	33	Very low	162 Å²	162	154 Å²	154	76%	0.757	79%	0.787	S	S	*	*			trans	-66.2	88.4	158	-67.1	176.5	102.5	0	0	111.9	K648	E316-K648 VanDerWaalsContact CD-NZ 3.3Å; E316-K648 IonicContact OE1-NZ 2.64Å; E316-K648 PolarHBondContact OE1-NZ 2.83Å; E316-K648 IonicContact OE2-NZ 4Å; E316-K648 PolarHBondContact OE2-NZ 3Å
317	K	35.8	Very low	33.2	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.796	79%	0.788	S	S	*	*			trans	-137.4	157.5	158.6	-68.9	-167.7	177.4	177.5	0	110.9	S315	S315-K317 PolarHBondContact O-N 3.41Å
318	D	30.9	Very low	33.4	Very low	158 Å²	158	151.8 Å²	151.8	85%	0.845	79%	0.79	S	S	*	*			trans	65	69	175.1	-62.2	-6.9	0	0	0	118.6
319	I	34	Very low	33.4	Very low	175 Å²	175	155.8 Å²	155.8	90%	0.897	80%	0.796	S	S	*	*			trans	-111.9	98.5	144.6	-56.8	178.3	0	0	0	108.8
320	N	34.7	Very low	33.3	Very low	123 Å²	123	159.6 Å²	159.6	66%	0.658	81%	0.811	S	S	*	*			trans	-145.1	109.1	166.8	-168.5	-11.1	0	0	0	110.3	F322	N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 PolarHBondContact O-N 2.74Å; N320-F322 VanDerWaalsContact O-N 3.11Å
321	P	37.3	Very low	33.1	Very low	111 Å²	111	157.3 Å²	157.3	72%	0.721	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	6.5	-160.4	29.9	-36.1	0	0	0	116.4
322	F	28.8	Very low	32.9	Very low	185 Å²	185	158.6 Å²	158.6	81%	0.811	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-0.5	-170.3	-84	-77.6	0	0	0	117.3	N320 K324	N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 PolarHBondContact O-N 2.74Å; N320-F322 VanDerWaalsContact O-N 3.11Å; F322-K324 PolarHBondContact O-N 3.38Å
323	S	37.5	Very low	32.6	Very low	112 Å²	112	162 Å²	162	78%	0.783	81%	0.813	S	S	*	*			trans	-82.2	40.3	178.3	-72.9	0	0	0	0	114.9
324	K	35.1	Very low	32.4	Very low	196 Å²	196	160.3 Å²	160.3	85%	0.852	80%	0.801	S	S	*	*			trans	-121.1	30.5	177.8	-106.5	-177.8	-178.7	176.7	0	114.7	F322	F322-K324 PolarHBondContact O-N 3.38Å
325	F	32.2	Very low	32.5	Very low	198 Å²	198	162.8 Å²	162.8	87%	0.868	80%	0.797	S	S	*	*	S	Bend	trans	-136.2	134	164.4	-109.9	-90.6	0	0	0	110.8
326	K	32.3	Very low	32.3	Very low	195 Å²	195	165.5 Å²	165.5	85%	0.848	80%	0.804	S	S	*	*	S	Bend	trans	66.8	128	-151.1	-48.3	169.7	-174.6	173.3	0	110.1
327	S	33.3	Very low	32.2	Very low	112 Å²	112	161.1 Å²	161.1	78%	0.783	80%	0.802	S	S	*	*			cis	-136.5	92.5	22.2	-64.3	0	0	0	0	113.1	N329	S327-N329 PolarHBondContact O-N 2.78Å
328	I	35.5	Very low	31.9	Very low	170 Å²	170	159.9 Å²	159.9	87%	0.872	80%	0.799	S	S	*	*			trans	-80.8	69.3	161.8	-170.8	166.7	0	0	0	109.9
329	N	30.1	Very low	31.8	Very low	147 Å²	147	160 Å²	160	79%	0.786	79%	0.792	S	S	*	*			trans	-171	102.3	169.5	-111.4	-39.8	0	0	0	112.1	S327	S327-N329 PolarHBondContact O-N 2.78Å
330	K	30.9	Very low	31.3	Very low	212 Å²	212	159 Å²	159	92%	0.922	79%	0.787	S	S	*	*			trans	163.6	68.9	144.1	-91	167.8	-178.3	-179.5	0	111.2
331	E	33.4	Very low	30.9	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	79%	0.793	S	S	*	*			trans	-84.2	154.8	152.6	-163.9	-177.1	-147.3	0	0	108.7
332	K	30.1	Very low	30.3	Very low	193 Å²	193	160.9 Å²	160.9	84%	0.839	79%	0.792	S	S	*	*			trans	70.6	109.4	178.1	-54.5	177.5	-179.1	174.5	0	117.8
333	R	28.3	Very low	30.2	Very low	226 Å²	226	156.6 Å²	156.6	85%	0.853	79%	0.785	S	S	*	*				179.4	107.9	124.2	-162.7	164.8	173.1	160.6	-5.8	107
334	Q	30.3	Very low	29.5	Very low	148 Å²	148	158.1 Å²	158.1	69%	0.692	79%	0.785	S	S	*	*				53.2	137.8	93.3	-64	177.9	-57.7	0	0	114.2
335	Q	30.2	Very low	29.2	Very low	143 Å²	143	153.9 Å²	153.9	67%	0.668	78%	0.78	S	S	*	*			cis	-170.7	157.7	4.5	-122.1	166.8	-26.8	0	0	111.3
336	N	25.2	Very low	28.7	Very low	154 Å²	154	155.4 Å²	155.4	82%	0.824	78%	0.78	S	S	*	*			trans	55.4	159.8	155.2	-65.8	10.6	0	0	0	118.9
337	G	29.8	Very low	28.9	Very low	70 Å²	70	151.8 Å²	151.8	72%	0.722	78%	0.776	S	S	*	*			cis	156.2	161.9	-2.9	0	0	0	0	0	109.4
338	E	29.5	Very low	28.4	Very low	156 Å²	156	151.9 Å²	151.9	73%	0.729	77%	0.772	S	S	*	*			cis	-115.8	-130.3	-2.3	-63.7	169.4	77	0	0	108.7
339	K	28.5	Very low	27.8	Very low	161 Å²	161	150 Å²	150	70%	0.7	77%	0.768	S	S	*	*			cis	-161	169.6	-12.1	-136	153.9	-171	144.8	0	105.6
340	I	24.8	Very low	28.3	Very low	155 Å²	155	148 Å²	148	80%	0.795	76%	0.764	S	S	*	*			cis	-134.9	-178.5	11.6	-44.7	165.2	0	0	0	109.2
341	M	26.1	Very low	27.9	Very low	158 Å²	158	144.8 Å²	144.8	78%	0.778	76%	0.756	S	S	*	*			trans	-74.8	170.2	176.2	-52.5	-71.1	-96.6	0	0	113.4
342	T	24.9	Very low	27.4	Very low	114 Å²	114	143 Å²	143	70%	0.699	75%	0.747	S	S	*	*			cis	-159	160.5	10.1	-13.8	0	0	0	0	112.9
343	S	26.1	Very low	27.1	Very low	95 Å²	95	141.1 Å²	141.1	66%	0.664	74%	0.739	S	S	*	*			trans	-7.8	160.8	150.9	66.2	0	0	0	0	121.9
344	D	23.7	Very low	27	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	73%	0.732	S	S	*	*			cis	-163.6	165.9	15.3	-142.2	-30.5	0	0	0	115.9
345	S	27.2	Very low	26.8	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	73%	0.734	S	S	*	*			trans	77.1	155	143.4	76.8	0	0	0	0	125.3
346	R	21.6	Very low	26.5	Very low	229 Å²	229	135.3 Å²	135.3	86%	0.864	74%	0.741	S	S	*	*			trans	-82	-178.4	168.8	-74	175.6	174.2	170.3	-3.1	111
347	P	37.1	Very low	26.4	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	74%	0.738	S	S	*	*			cis	-127.9	177.3	20.9	11.8	18.1	0	0	0	114.9
348	T	22.6	Very low	26.1	Very low	113 Å²	113	138.7 Å²	138.7	69%	0.693	74%	0.742	S	S	*	*			cis	93.9	99.6	39.3	-43.3	0	0	0	0	115.7
349	V	23.9	Very low	27	Very low	130 Å²	130	136.2 Å²	136.2	79%	0.788	74%	0.739	S	S	*	*			trans	71.8	154	141.5	162.5	0	0	0	0	117.7
350	P	40.8	Very low	27.2	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	74%	0.744	S	S	*	*			cis	-141.6	-170.7	-22.5	41.4	-21.7	0	0	0	117.5
351	L	22.6	Very low	27.1	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	75%	0.746	S	S	*	*			trans	81	118.1	135.9	-143.9	65.4	0	0	0	123.9
352	E	22.9	Very low	28	Very low	134 Å²	134	134 Å²	134	63%	0.626	74%	0.742	S	S	*	*			trans	65.3	132.7	141.8	-75.8	-168.8	162.2	0	0	126.8
353	K	23.8	Very low	28.2	Very low	154 Å²	154	134.1 Å²	134.1	67%	0.67	75%	0.747	S	S	*	*			trans	69.6	99.6	132.4	-70.2	173.5	-171.8	148.6	0	122
354	S	24.8	Very low	28.2	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	75%	0.748	S	S	*	*				90.8	137.2	107.5	75.4	0	0	0	0	122.1
355	T	26.2	Very low	28.4	Very low	121 Å²	121	131.1 Å²	131.1	74%	0.742	75%	0.748	S	S	*	*			trans	85.6	152.1	152.7	-22.9	0	0	0	0	118.1
356	E	23.2	Very low	28.5	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	75%	0.749	S	S	*	*			trans	68.4	131.6	174.8	-54.1	-166.9	135.5	0	0	116
357	H	24.4	Very low	28.8	Very low	165 Å²	165	126.4 Å²	126.4	76%	0.764	74%	0.744	S	S	*	*			cis	101	133.6	27.5	-80.7	-59.9	0	0	0	114.8
358	T	23.9	Very low	28.5	Very low	129 Å²	129	125.2 Å²	125.2	79%	0.791	74%	0.739	S	S	*	*			trans	75.8	151.8	151.5	42.9	0	0	0	0	120.7
359	P	46.9	Very low	28.6	Very low	105 Å²	105	126.5 Å²	126.5	68%	0.682	74%	0.737	S	S	*	*			trans	-149.4	-158.7	-140	40.9	-15.8	0	0	0	115.9
360	T	33.4	Very low	28.8	Very low	130 Å²	130	127.9 Å²	127.9	80%	0.798	73%	0.732	S	S	*	*			trans	63.9	139.8	144.1	-52	0	0	0	0	121.9
361	K	22.3	Very low	28.1	Very low	192 Å²	192	129.1 Å²	129.1	84%	0.835	73%	0.732	S	S	*	*			trans	-155.1	169.6	153.8	-142.8	177	-178.4	179.4	0	110.2
362	P	45.4	Very low	28.2	Very low	106 Å²	106	130.9 Å²	130.9	69%	0.688	73%	0.734	S	S	*	*				-102.3	-173.7	-82.3	41.3	-29.4	0	0	0	111.4
363	S	28.4	Very low	28.2	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	74%	0.74	S	S	*	*			cis	-170.1	169	-10.3	34.6	0	0	0	0	107.8
364	G	26.3	Very low	28.3	Very low	67 Å²	67	131.6 Å²	131.6	69%	0.691	74%	0.74	S	S	*	*			cis	-119.1	-98.5	-4.1	0	0	0	0	0	110.7
365	S	29.3	Very low	28.1	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	75%	0.746	S	S	*	*			cis	176.4	145.5	-14.5	31.8	0	0	0	0	107.7
366	S	28.3	Very low	27.9	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	74%	0.744	S	S	*	*			cis	-175.8	143	-8.7	43.3	0	0	0	0	108.4
367	V	27.9	Very low	28	Very low	128 Å²	128	130.7 Å²	130.7	78%	0.776	74%	0.739	S	S	*	*			cis	-167	159.2	-9.4	68.4	0	0	0	0	109.3
368	S	30.1	Very low	28	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	74%	0.742	S	S	*	*			trans	70.4	147.2	162.8	-65.5	0	0	0	0	119.3
369	E	25.9	Very low	28	Very low	140 Å²	140	133.4 Å²	133.4	65%	0.654	73%	0.734	S	S	*	*			cis	-157.1	151.5	-9.3	-120.8	-173.6	131.5	0	0	115.3
370	K	27.5	Very low	26.9	Very low	159 Å²	159	134.6 Å²	134.6	69%	0.691	74%	0.739	S	S	*	*			trans	51.8	120.7	143.3	-78.9	177.9	179.7	144.1	0	125
371	L	26	Very low	26.5	Very low	133 Å²	133	132.2 Å²	132.2	70%	0.696	73%	0.727	S	S	*	*				92.6	121.4	118.7	-72.3	171	0	0	0	124.5
372	K	25.2	Very low	26.6	Very low	181 Å²	181	131.9 Å²	131.9	79%	0.787	73%	0.729	S	S	*	*			trans	68	111.6	132.1	-83.3	-179.5	-178.5	177.8	0	123.2
373	K	23.7	Very low	25.5	Very low	176 Å²	176	130.5 Å²	130.5	77%	0.765	73%	0.734	S	S	*	*				74.5	116.3	112.7	-176.7	177	178.5	-166.2	0	120.7
374	L	24.7	Very low	25.1	Very low	128 Å²	128	130.4 Å²	130.4	67%	0.67	73%	0.733	S	S	*	*			trans	56.3	146.7	148.6	-103	72.3	0	0	0	122.3
375	E	21.4	Very low	25.9	Very low	175 Å²	175	132.6 Å²	132.6	82%	0.818	74%	0.735	S	S	*	*			trans	68.1	-178	153.1	-72.1	172.5	145.3	0	0	117.7
376	S	22.6	Very low	25.8	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	73%	0.734	S	S	*	*				-138.3	153.6	-120.1	55.8	0	0	0	0	117.1
377	S	23.9	Very low	25.8	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	73%	0.732	S	S	*	*			trans	72.8	149.6	149.7	75.8	0	0	0	0	119.8
378	R	25.6	Very low	25.7	Very low	219 Å²	219	133.5 Å²	133.5	83%	0.826	73%	0.731	S	S	*	*			trans	68.9	154	164.1	-68	-164.5	143.1	133.4	1.9	118
379	E	22.6	Very low	25.8	Very low	132 Å²	132	137.1 Å²	137.1	62%	0.617	74%	0.735	S	S	*	*			cis	-173.1	157.8	-34.7	-120.4	177.4	132.9	0	0	106.7
380	T	23.8	Very low	25.7	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	74%	0.743	S	S	*	*			trans	67.4	149.7	159	54.9	0	0	0	0	119.6
381	S	25.1	Very low	25.6	Very low	79 Å²	79	134.9 Å²	134.9	55%	0.552	74%	0.743	S	S	*	*			cis	-169.3	177.3	-9.4	42	0	0	0	0	113.5
382	H	25.1	Very low	25.7	Very low	186 Å²	186	137.2 Å²	137.2	86%	0.861	75%	0.747	S	S	*	*			trans	82.9	143.7	168.1	-43.5	-64.3	0	0	0	117.4
383	G	23.2	Very low	25.7	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	75%	0.745	S	S	*	*			cis	-164.4	172.4	-0.3	0	0	0	0	0	113.9
384	S	20	Very low	26.9	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	74%	0.743	S	S	*	*			trans	-97.8	168.5	-174.8	-162.9	0	0	0	0	112.7
385	P	42.8	Very low	27.1	Very low	113 Å²	113	131.4 Å²	131.4	73%	0.734	74%	0.742	S	S	*	*				-148.1	145.6	90.9	32.4	-12	0	0	0	118.2
386	T	26.2	Very low	27.5	Very low	121 Å²	121	130 Å²	130	74%	0.742	74%	0.74	S	S	*	*			trans	36.7	142.2	137.5	-4.8	0	0	0	0	121.7
387	V	29.2	Very low	27.8	Very low	122 Å²	122	131.2 Å²	131.2	74%	0.739	74%	0.743	S	S	*	*			cis	-145.9	-174.3	19.7	-140.4	0	0	0	0	108.1
388	T	26.1	Very low	28.1	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	74%	0.744	S	S	*	*			cis	-167.6	177.8	15.9	-6.4	0	0	0	0	107.4
389	K	30.5	Very low	28.2	Very low	170 Å²	170	125.6 Å²	125.6	74%	0.739	74%	0.744	S	S	*	*			cis	-165.1	122.5	-9.8	-165.7	-176.8	179.8	-175.4	0	111.2
390	L	25.8	Very low	28.5	Very low	154 Å²	154	123.5 Å²	123.5	81%	0.806	75%	0.749	S	S	*	*			trans	57.4	159.9	157.9	-90.8	61.9	0	0	0	119.6
391	S	24.9	Very low	28.7	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	75%	0.75	S	S	*	*			cis	-163.3	140.2	-6.5	44.4	0	0	0	0	114.9
392	K	28.4	Very low	28.8	Very low	182 Å²	182	130.1 Å²	130.1	79%	0.791	76%	0.76	S	S	*	*			trans	50.4	121.5	143.3	-79.5	-161	164.6	-145.2	0	125.2
393	E	24.7	Very low	29	Very low	158 Å²	158	126.9 Å²	126.9	74%	0.738	76%	0.758	S	S	*	*				42.6	152.6	117.8	-85.7	-173.8	119.1	0	0	123.9
394	P	47.5	Very low	29.1	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	76%	0.759	S	S	*	*			cis	-126.8	-146.7	-2.7	43.9	-26.1	0	0	0	111.6
395	S	29.6	Very low	29.4	Very low	91 Å²	91	128.9 Å²	128.9	64%	0.636	76%	0.76	S	S	*	*			cis	-161.9	148.4	-2.9	49.6	0	0	0	0	113
396	N	29.6	Very low	28.8	Very low	145 Å²	145	132 Å²	132	78%	0.775	76%	0.762	S	S	*	*			trans	35	138.9	135.8	-55.2	-0.8	0	0	0	122.5
397	T	30.1	Very low	28.8	Very low	125 Å²	125	132.3 Å²	132.3	77%	0.767	76%	0.755	S	S	*	*			cis	-179.9	166	-0.6	23.5	0	0	0	0	108.1
398	S	30.5	Very low	28.8	Very low	106 Å²	106	132 Å²	132	74%	0.741	75%	0.749	S	S	*	*			cis	-179.7	157.9	-22.1	54.6	0	0	0	0	111.7
399	A	27.3	Very low	28.8	Very low	99 Å²	99	135 Å²	135	82%	0.818	75%	0.752	S	S	*	*			trans	73.5	138.2	169.8	0	0	0	0	0	118.3
400	A	29	Very low	28.7	Very low	88 Å²	88	134.6 Å²	134.6	73%	0.727	76%	0.757	S	S	*	*			cis	100.4	151.2	19	0	0	0	0	0	114.9
401	F	28	Very low	28.7	Very low	188 Å²	188	130.6 Å²	130.6	83%	0.825	75%	0.753	S	S	*	*			cis	-140.1	-115.7	17.7	-134.6	-58.5	0	0	0	115.5
402	E	26.2	Very low	28.9	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	76%	0.764	S	S	*	*			trans	-146.8	171.2	-161.4	-83.7	-178.1	105.8	0	0	117.3
403	S	29.4	Very low	29.1	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	76%	0.764	S	S	*	*			trans	102.2	-179.6	144.6	79.6	0	0	0	0	121.4
404	T	24.7	Very low	29.5	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	77%	0.77	S	S	*	*			trans	-142.2	149.1	-135.4	42.6	0	0	0	0	118.8
405	A	27.6	Very low	28.7	Very low	97 Å²	97	135.2 Å²	135.2	80%	0.802	77%	0.771	S	S	*	*			trans	82.8	144.6	143.8	0	0	0	0	0	124.6
406	K	30.6	Very low	28.5	Very low	180 Å²	180	139.1 Å²	139.1	78%	0.783	78%	0.777	S	S	*	*			trans	89.9	116.3	152.1	-79.8	-170.2	162.5	-126.8	0	124.3
407	E	25.5	Very low	28.5	Very low	127 Å²	127	137.3 Å²	137.3	59%	0.593	77%	0.771	S	S	*	*				77.7	105.7	126.2	-70.9	-170.6	96.2	0	0	125.8
408	N	29.6	Very low	28.3	Very low	114 Å²	114	138.8 Å²	138.8	61%	0.61	77%	0.774	S	S	*	*				89.6	139.2	120.7	-54.4	-14.5	0	0	0	123.9
409	F	25.7	Very low	28.5	Very low	187 Å²	187	140.5 Å²	140.5	82%	0.82	77%	0.774	S	S	*	*			trans	66.1	134.2	162	-64.6	-64.8	0	0	0	118.1
410	L	28.2	Very low	28.7	Very low	162 Å²	162	143.7 Å²	143.7	85%	0.848	77%	0.772	S	S	*	*			cis	-137.7	176.6	-2.8	-63.9	95.6	0	0	0	108.8
411	G	26.4	Very low	28.8	Very low	70 Å²	70	148.7 Å²	148.7	72%	0.722	78%	0.781	S	S	*	*			cis	118.3	95.2	-7	0	0	0	0	0	115.2
412	E	29	Very low	28.8	Very low	198 Å²	198	147.7 Å²	147.7	93%	0.925	78%	0.783	S	S	*	*			trans	-155.2	154.3	170.6	-139.7	161.9	-143.4	0	0	109.2
413	D	32.1	Very low	28.6	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	79%	0.786	S	S	*	*			trans	-118.1	168.3	-169	-58.4	-69.6	0	0	0	113.1
414	D	32.1	Very low	28.5	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	79%	0.788	S	S	*	*			trans	62.6	148.3	162.1	-62	-15.1	0	0	0	119.2
415	D	32.4	Very low	28.6	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	79%	0.79	S	S	*	*			cis	-166.1	175.2	-23.8	-166.7	8	0	0	0	108.7
416	F	25.6	Very low	28.5	Very low	173 Å²	173	150.6 Å²	150.6	76%	0.759	79%	0.794	S	S	*	*			trans	83.1	112.3	150.5	-129.3	-111.7	0	0	0	123
417	V	29.7	Very low	28.2	Very low	106 Å²	106	150.3 Å²	150.3	64%	0.642	80%	0.801	S	S	*	*			trans	63	137.6	141	173	0	0	0	0	121.4
418	D	25.7	Very low	28.3	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	81%	0.809	S	S	*	*			trans	-126.5	133.2	163.5	-162.4	0.3	0	0	0	111.1
419	L	34.8	Very low	28	Very low	143 Å²	143	145.7 Å²	145.7	75%	0.749	82%	0.815	S	S	*	*			trans	-177.6	122.4	-175.6	-115.7	165.5	0	0	0	102.8
420	E	31.1	Very low	28.1	Very low	166 Å²	166	145 Å²	145	78%	0.776	82%	0.816	S	S	*	*			cis	-152.6	169.7	39.1	-59.3	170.5	128.7	0	0	109.9
421	E	30.2	Very low	28.1	Very low	192 Å²	192	142.8 Å²	142.8	90%	0.897	81%	0.805	S	S	*	*				-150.5	121.4	129.1	-142.4	178.9	-172.1	0	0	112.6
422	L	27.7	Very low	28.3	Very low	167 Å²	167	147 Å²	147	87%	0.874	80%	0.804	S	S	*	*			trans	-115.4	131.3	165.8	-82.6	173.3	0	0	0	108.7
423	S	23.6	Very low	28.3	Very low	115 Å²	115	146 Å²	146	80%	0.804	80%	0.796	S	S	*	*			trans	-109.6	99.6	173.9	50	0	0	0	0	112.2
424	S	26.2	Very low	28	Very low	125 Å²	125	144.9 Å²	144.9	87%	0.874	79%	0.79	S	S	*	*			trans	-178.7	116.4	139.1	29.7	0	0	0	0	111.6
425	Q	26.8	Very low	27.7	Very low	184 Å²	184	143 Å²	143	86%	0.86	79%	0.785	S	S	*	*			trans	-87.6	135.9	160.6	-77.4	-176.2	-18.6	0	0	109.6
426	T	25.5	Very low	27.4	Very low	147 Å²	147	141.1 Å²	141.1	90%	0.902	78%	0.783	S	S	*	*				175.6	135.2	115	26.9	0	0	0	0	110.9
427	D	24.9	Very low	27.6	Very low	173 Å²	173	141 Å²	141	93%	0.925	78%	0.782	S	S	*	*			trans	-145.9	153.7	161.2	-177.5	27.4	0	0	0	109
428	G	27.1	Very low	27.3	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	79%	0.788	S	S	*	*			trans	138.3	90	171.2	0	0	0	0	0	115
429	G	23.4	Very low	27.2	Very low	70 Å²	70	141.7 Å²	141.7	72%	0.722	78%	0.784	S	S	*	*			trans	149.4	91	154.7	0	0	0	0	0	118.5
430	M	28	Very low	26.6	Very low	172 Å²	172	143.3 Å²	143.3	85%	0.847	79%	0.793	S	S	*	*			trans	23.2	115.9	142.2	-59.6	168.6	58.2	0	0	119.6
431	D	27.3	Very low	26.3	Very low	117 Å²	117	140.9 Å²	140.9	63%	0.626	79%	0.794	S	S	*	*				-169.3	144.5	101.6	-117.7	-1	0	0	0	118.6
432	K	31.8	Very low	26	Very low	159 Å²	159	139.7 Å²	139.7	69%	0.691	79%	0.793	S	S	*	*			trans	21.2	115.9	147.3	-60.5	170.7	-166.3	78.4	0	122.4
433	K	27.6	Very low	26	Very low	175 Å²	175	138.7 Å²	138.7	76%	0.761	79%	0.788	S	S	*	*				81.1	124.6	112.7	-168.5	-179.4	179.7	-177.2	0	121.6
434	D	25.8	Very low	26.4	Very low	125 Å²	125	139 Å²	139	67%	0.668	79%	0.788	S	S	*	*			trans	43.8	144.2	152.9	-45.5	-22.1	0	0	0	119.8
435	T	25.9	Very low	26.4	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	78%	0.782	S	S	*	*			cis	-168.5	146.8	33.9	-30.3	0	0	0	0	110.7
436	S	27.4	Very low	26.5	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	78%	0.776	S	S	*	*			trans	51.7	144.3	150.3	60.8	0	0	0	0	120.7
437	K	28.7	Very low	26.5	Very low	170 Å²	170	144 Å²	144	74%	0.739	78%	0.777	S	S	*	*			cis	-170.4	159.6	18.8	-132.5	173.9	176.3	-161.4	0	109.5
438	E	23.2	Very low	26.6	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	77%	0.774	S	S	*	*			trans	60	140.8	157.3	-73.1	166.6	120.9	0	0	118.8
439	C	24.6	Very low	26.5	Very low	111 Å²	111	150.8 Å²	150.8	75%	0.75	78%	0.777	S	S	*	*			cis	-155.5	133.9	-20.5	-163.2	0	0	0	0	109.4
440	L	22.3	Very low	26.5	Very low	177 Å²	177	152 Å²	152	93%	0.927	77%	0.77	S	S	*	*			trans	-138.5	136.1	169	-73.2	176.2	0	0	0	108.9
441	S	23.3	Very low	26.4	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	77%	0.768	S	S	*	*			trans	-129.8	129.5	170.9	55.8	0	0	0	0	109.2
442	L	24.1	Very low	26.3	Very low	167 Å²	167	150.6 Å²	150.6	87%	0.874	77%	0.768	S	S	*	*			trans	-89.7	163.2	-175.9	-67.7	162.4	0	0	0	112.2
443	D	28.5	Very low	26	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	77%	0.773	S	S	*	*			trans	71.5	154.3	158.3	-119.8	-10.2	0	0	0	116.9
444	P	32.2	Very low	25.9	Very low	122 Å²	122	150.6 Å²	150.6	79%	0.792	78%	0.776	S	S	*	*				-147.3	165.7	72.4	40.8	-23	0	0	0	118.4
445	E	26.6	Very low	25.8	Very low	159 Å²	159	150.5 Å²	150.5	74%	0.743	78%	0.776	S	S	*	*			trans	-97.9	165.3	164.4	-107.6	-79.3	-153	0	0	113.3
446	E	28.6	Very low	25.8	Very low	157 Å²	157	151.8 Å²	151.8	73%	0.734	78%	0.779	S	S	*	*			trans	51.4	130.7	170.5	-69.3	-151.2	128.1	0	0	121.3
447	R	26.1	Very low	25.6	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	79%	0.785	S	S	*	*				178.9	163.6	113.2	-95.4	156.8	-169.2	-150	1.8	115.7
448	K	25.3	Very low	25.5	Very low	199 Å²	199	148.5 Å²	148.5	87%	0.865	78%	0.782	S	S	*	*			trans	-119.5	152.6	174.9	-55.6	166.9	-179.7	168.5	0	110.4
449	K	25.2	Very low	25.6	Very low	191 Å²	191	146.3 Å²	146.3	83%	0.83	78%	0.779	S	S	*	*				161.6	155.5	128.3	-101.5	-167.8	160.9	-159.2	0	117.6
450	V	24.5	Very low	25.6	Very low	96 Å²	96	149 Å²	149	58%	0.582	78%	0.781	S	S	*	*			trans	70.7	113	142.5	164.3	0	0	0	0	116.6
451	E	25.4	Very low	25.9	Very low	170 Å²	170	147.6 Å²	147.6	79%	0.794	77%	0.771	S	S	*	*				70.7	145.6	77.8	-72.8	176.4	140.4	0	0	114.1
452	S	24.9	Very low	25.9	Very low	90 Å²	90	150 Å²	150	63%	0.629	77%	0.77	S	S	*	*			cis	-170.9	178.4	-11.7	59	0	0	0	0	110.7
453	Q	24.8	Very low	26	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	76%	0.757	S	S	*	*			trans	70.9	156.8	170.5	-58.7	177.9	-6.2	0	0	115.2
454	I	26.5	Very low	25.9	Very low	164 Å²	164	148.3 Å²	148.3	84%	0.841	76%	0.76	S	S	*	*			cis	-125.4	174.2	24.8	-70.4	170.9	0	0	0	112.5
455	N	24	Very low	25.5	Very low	123 Å²	123	147.7 Å²	147.7	66%	0.658	76%	0.758	S	S	*	*			trans	-98.5	144.7	-153.6	-65.2	-39.4	0	0	0	118.7
456	N	24.6	Very low	25.4	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	76%	0.758	S	S	*	*			trans	63.7	149.7	130.4	-61.4	-11.9	0	0	0	124.6
457	S	23.2	Very low	25.3	Very low	122 Å²	122	144 Å²	144	85%	0.853	76%	0.76	S	S	*	*			trans	103.7	140.6	151.2	-161.1	0	0	0	0	117.5
458	A	26.5	Very low	25.2	Very low	81 Å²	81	136.2 Å²	136.2	67%	0.669	75%	0.748	S	S	*	*			cis	-177.2	-179.7	-39.6	0	0	0	0	0	109.1
459	V	26.9	Very low	25.2	Very low	120 Å²	120	135.2 Å²	135.2	73%	0.727	74%	0.744	S	S	*	*			trans	81.1	103.9	156.6	-176.6	0	0	0	0	119.7
460	E	24.5	Very low	25.3	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	74%	0.743	S	S	*	*				52.1	156	124.9	-52.3	-175.4	121.8	0	0	126
461	M	27	Very low	25.4	Very low	146 Å²	146	131.9 Å²	131.9	72%	0.719	75%	0.746	S	S	*	*			trans	67.9	130.4	161.3	-67.9	177.3	78.2	0	0	118.5
462	Q	24.8	Very low	25.4	Very low	166 Å²	166	129.7 Å²	129.7	78%	0.776	74%	0.744	S	S	*	*			cis	90.1	147.8	35.8	-165.3	-170.5	54.3	0	0	113
463	V	26.2	Very low	25.5	Very low	101 Å²	101	132.6 Å²	132.6	61%	0.612	75%	0.748	S	S	*	*			trans	90.6	87.8	171	-167.7	0	0	0	0	117.2
464	Q	25.9	Very low	25.6	Very low	177 Å²	177	130.7 Å²	130.7	83%	0.827	74%	0.743	S	S	*	*				53.8	124.8	120.4	-71.5	-179.8	-23.7	0	0	123
465	S	24.1	Very low	25.6	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	74%	0.738	S	S	*	*				81.6	125.7	113.2	-165.6	0	0	0	0	122.6
466	A	24.7	Very low	26	Very low	90 Å²	90	129 Å²	129	74%	0.744	74%	0.74	S	S	*	*			trans	70.2	160.2	137.9	0	0	0	0	0	121.2
467	L	25.6	Very low	26.1	Very low	149 Å²	149	129.8 Å²	129.8	78%	0.78	74%	0.738	S	S	*	*			cis	-168.4	122.1	-32.7	177.9	134	0	0	0	109
468	A	24	Very low	26.4	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	73%	0.73	S	S	*	*			trans	59.3	-174.4	168.9	0	0	0	0	0	115.2
469	F	25.5	Very low	26.4	Very low	177 Å²	177	135.6 Å²	135.6	78%	0.776	74%	0.738	S	S	*	*			cis	-159.8	151.2	7.8	-137.3	-42.6	0	0	0	110.8
470	L	27.7	Very low	26.4	Very low	157 Å²	157	133.6 Å²	133.6	82%	0.822	74%	0.742	S	S	*	*			trans	65.5	152.2	164	-69.4	135.5	0	0	0	117.2
471	G	25.9	Very low	26.5	Very low	61 Å²	61	129.8 Å²	129.8	63%	0.629	74%	0.74	S	S	*	*			cis	165.7	159	-7.4	0	0	0	0	0	112.5
472	T	25.7	Very low	26.7	Very low	124 Å²	124	130.3 Å²	130.3	76%	0.761	75%	0.745	S	S	*	*			trans	26.5	138.3	145.8	46.6	0	0	0	0	121.1
473	E	27.2	Very low	26.8	Very low	151 Å²	151	128.5 Å²	128.5	71%	0.706	74%	0.74	S	S	*	*			cis	-175	160.3	-3.5	-145.1	179.8	-125.8	0	0	109.8
474	N	27.5	Very low	27.2	Very low	128 Å²	128	130 Å²	130	68%	0.684	74%	0.744	S	S	*	*			trans	63.9	160	165.3	-47.2	-42	0	0	0	116.8
475	D	27.1	Very low	27.4	Very low	140 Å²	140	128.7 Å²	128.7	75%	0.749	74%	0.738	S	S	*	*			cis	-161.2	159.7	16.9	-145.2	0.3	0	0	0	114.1
476	V	31.7	Very low	27.7	Very low	113 Å²	113	129.1 Å²	129.1	69%	0.685	74%	0.736	S	S	*	*			trans	70	137.5	142.9	156.3	0	0	0	0	126
477	E	26.7	Very low	28	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	73%	0.734	S	S	*	*			trans	81.4	104	152.3	-89.1	-175.4	148.9	0	0	128
478	L	29.6	Very low	28.3	Very low	132 Å²	132	129.5 Å²	129.5	69%	0.691	73%	0.729	S	S	*	*				58.9	120.3	118.6	-71.4	-179.1	0	0	0	126.2
479	K	26.1	Very low	28.9	Very low	193 Å²	193	132.4 Å²	132.4	84%	0.839	73%	0.726	S	S	*	*				89.9	121.7	125	-97.4	176.1	177.5	178.6	0	124.2
480	G	26.3	Very low	29	Very low	78 Å²	78	131 Å²	131	80%	0.804	72%	0.722	S	S	*	*			trans	109.9	146.7	134.8	0	0	0	0	0	116.6
481	A	28	Very low	29.1	Very low	90 Å²	90	130 Å²	130	74%	0.744	72%	0.718	S	S	*	*			cis	-166.3	176.2	-11.6	0	0	0	0	0	110.3
482	L	30.5	Very low	29.3	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	73%	0.728	S	S	*	*			trans	76.3	145.6	174.2	-46.4	179.1	0	0	0	115.3
483	D	26.8	Very low	29.3	Very low	129 Å²	129	137 Å²	137	69%	0.69	73%	0.731	S	S	*	*			cis	-148.1	173.4	3.3	-135.8	-14.1	0	0	0	115.3
484	L	34.8	Very low	30	Very low	132 Å²	132	135.2 Å²	135.2	69%	0.691	73%	0.733	S	S	*	*			trans	-43.8	162.3	179.8	-98.1	72.3	0	0	0	119.6
485	E	30.1	Very low	29.9	Very low	150 Å²	150	137.5 Å²	137.5	70%	0.701	74%	0.739	S	S	*	*			cis	-170.1	167.9	-7.3	-146.4	172.8	-143.1	0	0	113.9
486	T	30.5	Very low	30.2	Very low	117 Å²	117	135.9 Å²	135.9	72%	0.718	73%	0.734	S	S	*	*			trans	65.1	150.6	159.8	65.5	0	0	0	0	120.6
487	C	31.6	Very low	30	Very low	102 Å²	102	136 Å²	136	69%	0.689	73%	0.731	S	S	*	*			cis	-160.3	143.2	-19.3	-105.3	0	0	0	0	108.7
488	E	31	Very low	30.3	Very low	144 Å²	144	135.2 Å²	135.2	67%	0.673	73%	0.725	S	S	*	*				49	141.9	96.5	-64.1	-148.6	132.1	0	0	116.3
489	K	36.4	Very low	30.2	Very low	142 Å²	142	137.3 Å²	137.3	62%	0.617	73%	0.731	S	S	*	*			cis	-168.3	177.4	14.8	-126.7	172.3	178.8	125.7	0	108.9
490	Q	29	Very low	30.3	Very low	149 Å²	149	134 Å²	134	70%	0.696	73%	0.733	S	S	*	*			cis	-159.2	179.3	-1.3	-157.6	173.5	-93.8	0	0	109.4
491	D	29.2	Very low	30.3	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	73%	0.734	S	S	*	*			trans	-66.1	169.3	175.9	-41.9	-100	0	0	0	117
492	I	30.2	Very low	30.1	Very low	162 Å²	162	135.2 Å²	135.2	83%	0.831	74%	0.736	S	S	*	*			trans	-166.5	139.3	140.1	-100.3	149.6	0	0	0	112.6
493	M	25.8	Very low	30.8	Very low	168 Å²	168	133 Å²	133	83%	0.828	73%	0.731	S	S	*	*			trans	-141.9	149.6	151.4	-91.2	-149.4	72.9	0	0	108.9
494	P	41.3	Very low	30.7	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	73%	0.73	S	S	*	*				-143.3	-157.4	126.1	38.7	-23	0	0	0	113.4
495	E	25.9	Very low	30.3	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	73%	0.73	S	S	*	*			trans	-143.2	177.9	-148.2	-172	-159.2	156.6	0	0	111.9
496	V	33.4	Very low	30	Very low	105 Å²	105	134.9 Å²	134.9	64%	0.636	73%	0.734	S	S	*	*			trans	107.3	115.7	149.5	-173.2	0	0	0	0	120.5
497	D	28	Very low	29.9	Very low	116 Å²	116	134.1 Å²	134.1	62%	0.62	73%	0.729	S	S	*	*			trans	88.3	117	142.1	-82.7	-28.5	0	0	0	127.8
498	K	32.2	Very low	29.7	Very low	147 Å²	147	138.1 Å²	138.1	64%	0.639	74%	0.737	S	S	*	*				97.5	108.2	119.3	-79.9	163.6	-173.6	140.7	0	124.9
499	Q	27	Very low	29.5	Very low	177 Å²	177	138.9 Å²	138.9	83%	0.827	75%	0.746	S	S	*	*			trans	67.4	124.7	130.9	-65.6	173.6	-9.4	0	0	118.6
500	S	28.1	Very low	29.1	Very low	124 Å²	124	138.2 Å²	138.2	87%	0.867	75%	0.754	S	S	*	*				-171.3	156.5	52	53.9	0	0	0	0	113.9
501	G	27.1	Very low	29.3	Very low	80 Å²	80	138 Å²	138	83%	0.825	76%	0.757	S	S	*	*			trans	121.1	112	162.4	0	0	0	0	0	115.9
502	S	24.5	Very low	29.2	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	76%	0.76	S	S	*	*			trans	-164.2	179.7	179.3	64.8	0	0	0	0	109.9
503	P	43.6	Very low	29.8	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	76%	0.759	S	S	*	*			cis	-100.9	-154.9	-15.5	42	-32.3	0	0	0	110.2
504	E	25.4	Very low	30.3	Very low	145 Å²	145	135.1 Å²	135.1	68%	0.678	74%	0.741	S	S	*	*			cis	-154.4	157.8	1.6	-167.1	61.4	-127.1	0	0	104.3	R506	E504-R506 WeakPolarHBondContact OE1-CB 3.46Å; E504-R506 WeakPolarHBondContact OE1-CG 3.21Å
505	S	26.2	Very low	30.1	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	75%	0.746	S	S	*	*			cis	-128.1	-177.7	16.2	70.8	0	0	0	0	110.8
506	R	24.7	Very low	30.6	Very low	207 Å²	207	136.1 Å²	136.1	78%	0.781	74%	0.74	S	S	*	*			cis	74.9	113.2	22.7	-84.1	-155.1	137.2	178.5	-3.5	115.8	E504	E504-R506 WeakPolarHBondContact OE1-CB 3.46Å; E504-R506 WeakPolarHBondContact OE1-CG 3.21Å
507	V	28.5	Very low	30.9	Very low	101 Å²	101	135.8 Å²	135.8	61%	0.612	74%	0.735	S	S	*	*			cis	-145.7	144.1	-1.4	167.5	0	0	0	0	109.2
508	E	26.8	Very low	31.6	Very low	187 Å²	187	134.6 Å²	134.6	87%	0.874	73%	0.728	S	S	*	*			trans	-84.2	130.6	162.7	-63.8	175.1	122.6	0	0	110.3
509	N	26.3	Very low	32.1	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	73%	0.728	S	S	*	*			trans	-95.7	111.8	177.6	-84.7	-6.6	0	0	0	111.7
510	T	27	Very low	32.9	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	71%	0.714	S	S	*	*			trans	-100.6	124.7	162.6	29.6	0	0	0	0	111.6
511	L	35	Very low	33.5	Very low	144 Å²	144	129.3 Å²	129.3	75%	0.754	69%	0.694	S	S	*	*			trans	62.4	108.8	155.6	-53	179	0	0	0	120
512	N	27.1	Very low	34.4	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	68%	0.682	S	S	*	*			trans	-159.2	133.6	138.4	-82.8	-58.5	0	0	0	104.6
513	I	41.4	Very low	35.4	Very low	155 Å²	155	130.5 Å²	130.5	80%	0.795	67%	0.671	S	S	*	*			cis	62.4	37.6	21.3	-32.3	-175.8	0	0	0	113.9
514	H	36.2	Very low	35.2	Very low	101 Å²	101	131.5 Å²	131.5	47%	0.468	67%	0.666	S	S	.	*			trans	-156.5	66.9	162.1	-161.3	-73.2	0	0	0	114.4	D518	H514-D518 IonicContact CE1-OD2 2.67Å
515	E	37.2	Very low	35.9	Very low	181 Å²	181	132.9 Å²	132.9	85%	0.846	67%	0.666	S	S	*	*	S	Bend	trans	-132.4	-21.5	166.9	-71.6	-161.7	142.5	0	0	115.5	L517	E515-L517 VanDerWaalsContact C-N 3.32Å; E515-L517 PolarHBondContact O-N 2.93Å
516	D	37.5	Very low	36.6	Very low	131 Å²	131	136 Å²	136	70%	0.701	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-4.8	179.4	-102.2	-20.6	0	0	0	114.9	K519	D516-K519 IonicContact OD1-NZ 3.84Å
517	L	39.1	Very low	37.3	Very low	98 Å²	98	132.1 Å²	132.1	51%	0.513	66%	0.658	S	S	.	*	H	α-helix	trans	-85.3	-11.6	-171.6	-105.4	156	0	0	0	115.5	E515 K521	E515-L517 VanDerWaalsContact C-N 3.32Å; E515-L517 PolarHBondContact O-N 2.93Å; L517-K521 WeakPolarHBondContact O-CE 3.31Å
518	D	42	Very low	37.6	Very low	91 Å²	91	134.3 Å²	134.3	49%	0.487	67%	0.667	S	S	.	*	H	α-helix	trans	-104.7	-7.7	-175	-70.9	-40	0	0	0	114.8	H514 K521	H514-D518 IonicContact CE1-OD2 2.67Å; D518-K521 WeakPolarHBondContact OD1-CD 3.48Å; D518-K521 WeakPolarHBondContact OD1-CE 3.25Å; D518-K521 IonicContact OD1-NZ 3.04Å; D518-K521 PolarHBondContact OD1-NZ 3.07Å
519	K	44.2	Very low	38.1	Very low	147 Å²	147	133.7 Å²	133.7	64%	0.639	66%	0.661	S	S	*	*	H	α-helix	trans	-76	-34.3	168.7	-67.5	171.4	-169.4	153.6	0	112.1	D516	D516-K519 IonicContact OD1-NZ 3.84Å
520	V	43.6	Very low	38.4	Very low	88 Å²	88	133 Å²	133	53%	0.533	66%	0.657	S	S	.	*	H	α-helix	trans	-71.3	-43	-178.6	-177	0	0	0	0	111.7	L522 I523 E524	V520-L522 VanDerWaalsContact C-N 3.27Å; V520-L522 PolarHBondContact O-N 2.88Å; V520-I523 WeakPolarHBondContact O-CB 3.34Å; V520-I523 PolarHBondContact O-N 2.93Å; V520-E524 PolarHBondContact O-N 2.87Å; V520-E524 VanDerWaalsContact O-N 3.09Å
521	K	41	Very low	38.6	Very low	102 Å²	102	136 Å²	136	44%	0.443	66%	0.659	S	S	.	*	H	α-helix	trans	-61	-33.9	-179.5	-64.3	174	-163.4	154.7	0	113.2	L517 D518 I523 E524 Y525	L517-K521 WeakPolarHBondContact O-CE 3.31Å; D518-K521 WeakPolarHBondContact OD1-CD 3.48Å; D518-K521 WeakPolarHBondContact OD1-CE 3.25Å; D518-K521 IonicContact OD1-NZ 3.04Å; D518-K521 PolarHBondContact OD1-NZ 3.07Å; K521-I523 VanDerWaalsContact C-N 3.29Å; K521-I523 PolarHBondContact O-N 2.95Å; K521-E524 PolarHBondContact O-N 2.92Å; K521-Y525 PolarHBondContact O-N 2.82Å
522	L	44	Very low	38.2	Very low	110 Å²	110	138.8 Å²	138.8	58%	0.576	67%	0.669	S	S	*	*	H	α-helix	trans	-68	-32	176.5	-169.5	62.4	0	0	0	111.6	V520 Y526	V520-L522 VanDerWaalsContact C-N 3.27Å; V520-L522 PolarHBondContact O-N 2.88Å; L522-Y526 HydrophobicContact CD1-CE2 4.15Å; L522-Y526 WeakPolarHBondContact O-CD2 3.29Å; L522-Y526 PolarHBondContact O-N 2.97Å
523	I	46	Very low	38.1	Very low	107 Å²	107	135.3 Å²	135.3	55%	0.549	67%	0.668	S	S	.	*	H	α-helix	trans	-73.8	-42	177	-65.2	169.2	0	0	0	110.6	V520 K521 Y525 Y526 L527	V520-I523 WeakPolarHBondContact O-CB 3.34Å; V520-I523 PolarHBondContact O-N 2.93Å; K521-I523 VanDerWaalsContact C-N 3.29Å; K521-I523 PolarHBondContact O-N 2.95Å; I523-Y525 VanDerWaalsContact C-N 3.32Å; I523-Y525 PolarHBondContact O-N 3.2Å; I523-Y526 PolarHBondContact O-N 2.9Å; I523-L527 HydrophobicContact CG2-CD1 3.7Å; I523-L527 HydrophobicContact CG2-CG 4.34Å; I523-L527 WeakPolarHBondContact O-CB 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 3.38Å
524	E	40	Very low	37.3	Very low	130 Å²	130	133.6 Å²	133.6	61%	0.607	67%	0.67	S	S	*	*	H	α-helix	trans	-59.2	-41.2	172	-74.5	-170.2	121.4	0	0	112.4	V520 K521 Y526 L527 N528	V520-E524 PolarHBondContact O-N 2.87Å; V520-E524 VanDerWaalsContact O-N 3.09Å; K521-E524 PolarHBondContact O-N 2.92Å; E524-Y526 VanDerWaalsContact C-N 3.3Å; E524-Y526 PolarHBondContact O-N 3.09Å; E524-L527 PolarHBondContact O-N 3.15Å; E524-N528 WeakPolarHBondContact O-CB 3.42Å; E524-N528 PolarHBondContact O-N 3.33Å
525	Y	39	Very low	36.7	Very low	174 Å²	174	138.1 Å²	138.1	68%	0.682	69%	0.691	S	S	*	*	H	α-helix	trans	-58.9	-37.3	-180	-175.6	-99.4	0	0	0	113.4	K521 I523	K521-Y525 PolarHBondContact O-N 2.82Å; I523-Y525 VanDerWaalsContact C-N 3.32Å; I523-Y525 PolarHBondContact O-N 3.2Å
526	Y	41.8	Very low	36.2	Very low	165 Å²	165	135.6 Å²	135.6	65%	0.647	69%	0.688	S	S	*	*	H	α-helix	trans	-84.8	-32.4	176.8	-79.8	-78.3	0	0	0	113.6	L522 I523 E524	L522-Y526 HydrophobicContact CD1-CE2 4.15Å; L522-Y526 WeakPolarHBondContact O-CD2 3.29Å; L522-Y526 PolarHBondContact O-N 2.97Å; I523-Y526 PolarHBondContact O-N 2.9Å; E524-Y526 VanDerWaalsContact C-N 3.3Å; E524-Y526 PolarHBondContact O-N 3.09Å
527	L	39.8	Very low	35.7	Very low	125 Å²	125	135.1 Å²	135.1	65%	0.654	70%	0.695	S	S	*	*	H	α-helix	trans	-72	-34.3	178.1	-73.6	173.6	0	0	0	112.9	I523 E524 K529	I523-L527 HydrophobicContact CG2-CD1 3.7Å; I523-L527 HydrophobicContact CG2-CG 4.34Å; I523-L527 WeakPolarHBondContact O-CB 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 3.38Å; E524-L527 PolarHBondContact O-N 3.15Å; L527-K529 PolarHBondContact O-N 3.07Å
528	N	35.1	Very low	34.9	Very low	147 Å²	147	138.4 Å²	138.4	79%	0.786	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	12.5	-176.4	-149.8	26	0	0	0	114.2	E524	E524-N528 WeakPolarHBondContact O-CB 3.42Å; E524-N528 PolarHBondContact O-N 3.33Å
529	K	35.7	Very low	34.1	Very low	173 Å²	173	141 Å²	141	75%	0.752	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-15.9	176.4	-103.2	-75.6	-177.6	176.4	0	114.5	L527	L527-K529 PolarHBondContact O-N 3.07Å
530	N	33.9	Very low	33.2	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	72%	0.724	S	S	*	*	S	Bend	trans	-121.6	38.5	-169.3	-72.5	-10.4	0	0	0	113.7
531	K	30.8	Very low	32.5	Very low	191 Å²	191	143 Å²	143	83%	0.83	73%	0.731	S	S	*	*			trans	-138.2	70.9	171.1	-84.6	-166.2	174.7	-180	0	113
532	E	25.7	Very low	31.8	Very low	204 Å²	204	146.2 Å²	146.2	95%	0.953	75%	0.745	S	S	*	*			trans	-149.9	136.9	154.8	-134.2	167.9	-146.1	0	0	110.1
533	G	25.3	Very low	31	Very low	78 Å²	78	147 Å²	147	80%	0.804	75%	0.754	S	S	*	*			trans	93.5	79.3	175	0	0	0	0	0	117.2
534	S	25.3	Very low	29.9	Very low	118 Å²	118	151 Å²	151	83%	0.825	77%	0.771	S	S	*	*				-178.8	111.2	108.9	-171	0	0	0	0	112.6
535	Q	24.6	Very low	29.3	Very low	197 Å²	197	152.3 Å²	152.3	92%	0.921	78%	0.781	S	S	*	*			trans	-143.9	158.7	144.4	-105.2	-164.4	-1.8	0	0	109.2
536	V	25.2	Very low	28.6	Very low	127 Å²	127	149.2 Å²	149.2	77%	0.77	78%	0.784	S	S	*	*			trans	-85	145.8	-160.8	176.9	0	0	0	0	112.8
537	S	26.8	Very low	27.8	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	80%	0.797	S	S	*	*			trans	-151.8	127.7	152	-75.3	0	0	0	0	110.1
538	E	23.4	Very low	27.2	Very low	168 Å²	168	147 Å²	147	79%	0.785	80%	0.802	S	S	*	*			trans	-79.8	146.6	171.5	-54.3	175.2	122.5	0	0	110.1
539	N	23.8	Very low	26.9	Very low	146 Å²	146	149.1 Å²	149.1	78%	0.781	80%	0.804	S	S	*	*				-175.5	175.2	117.3	-106.8	-82.9	0	0	0	115.4
540	L	27.4	Very low	26.4	Very low	130 Å²	130	145 Å²	145	68%	0.681	80%	0.798	S	S	*	*			trans	-69.6	137.7	-157.1	-90	65.4	0	0	0	119.6
541	Q	27.2	Very low	26.2	Very low	145 Å²	145	145.9 Å²	145.9	68%	0.678	80%	0.801	S	S	*	*				76.5	141.9	127.3	-72.4	-171.8	27.5	0	0	124.6
542	K	27.6	Very low	26.2	Very low	171 Å²	171	144.9 Å²	144.9	74%	0.743	80%	0.799	S	S	*	*			trans	80.9	92.7	147.6	-78	170.2	-177.5	175.7	0	120.5
543	T	25.8	Very low	27.2	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	79%	0.789	S	S	*	*				39.9	113.7	108.3	-46.8	0	0	0	0	119.3
544	E	23.8	Very low	27.4	Very low	192 Å²	192	140.9 Å²	140.9	90%	0.897	79%	0.791	S	S	*	*				-157.1	168.3	126.9	-120.7	166.1	-160.1	0	0	111.6
545	L	27.7	Very low	27.4	Very low	158 Å²	158	138.5 Å²	138.5	83%	0.827	79%	0.785	S	S	*	*			trans	-115.1	151.9	179.2	-55.4	95.2	0	0	0	110.8
546	S	24.4	Very low	27.8	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	78%	0.782	S	S	*	*			trans	179.3	137.5	132.3	42	0	0	0	0	114.8
547	D	24.9	Very low	27.7	Very low	170 Å²	170	137.9 Å²	137.9	91%	0.909	78%	0.782	S	S	*	*			trans	29.6	153.5	133	-58	-47.1	0	0	0	124.7
548	G	27.3	Very low	28	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	78%	0.78	S	S	*	*			trans	120.3	83.1	157	0	0	0	0	0	114.8
549	K	27.9	Very low	28.3	Very low	191 Å²	191	137.1 Å²	137.1	83%	0.83	78%	0.776	S	S	*	*				73.8	98.4	56.9	-173.1	172	176.8	178.8	0	115.5
550	S	25.1	Very low	28.5	Very low	88 Å²	88	137.6 Å²	137.6	62%	0.615	78%	0.778	S	S	*	*			trans	45.6	137.7	148.4	66.8	0	0	0	0	120
551	I	29.8	Very low	28.4	Very low	162 Å²	162	136.4 Å²	136.4	83%	0.831	78%	0.781	S	S	*	*				-160.1	144.2	77	-88.5	155.9	0	0	0	113.3
552	E	30.4	Very low	28.2	Very low	170 Å²	170	134.6 Å²	134.6	79%	0.794	78%	0.784	S	S	*	*			trans	-51.8	-172.5	164.6	-99.2	176.5	-132.3	0	0	118.1
553	P	48.4	Very low	28.2	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	78%	0.782	S	S	*	*			cis	-132.2	180	-20.8	27.8	-6.6	0	0	0	113.8
554	G	28	Very low	28.3	Very low	82 Å²	82	133 Å²	133	85%	0.845	79%	0.786	S	S	*	*			trans	-148.5	9.9	-175.6	0	0	0	0	0	120.2
555	G	26.7	Very low	28.5	Very low	67 Å²	67	129 Å²	129	69%	0.691	78%	0.779	S	S	*	*			trans	90.3	90.8	163.2	0	0	0	0	0	119.2
556	I	32	Very low	28.4	Very low	169 Å²	169	130.8 Å²	130.8	87%	0.867	78%	0.783	S	S	*	*			trans	51.6	135.3	143.2	62.4	171.3	0	0	0	123.5
557	D	23.9	Very low	28.7	Very low	142 Å²	142	130.4 Å²	130.4	76%	0.759	79%	0.786	S	S	*	*			trans	-34.6	165.1	146.3	-76.7	-68.6	0	0	0	115.2
558	I	33.2	Very low	28.7	Very low	157 Å²	157	125.4 Å²	125.4	81%	0.805	78%	0.775	S	S	*	*				-157.4	151.1	59.1	-67.9	149.4	0	0	0	111.8
559	T	28.6	Very low	28.6	Very low	116 Å²	116	129.7 Å²	129.7	71%	0.712	78%	0.781	S	S	*	*			trans	-119.4	158.2	161.1	63.7	0	0	0	0	109.5
560	L	27.9	Very low	29.7	Very low	156 Å²	156	125.4 Å²	125.4	82%	0.817	77%	0.773	S	S	*	*			cis	-108.1	-154.2	9.1	-70.7	162.2	0	0	0	109.2
561	S	25.8	Very low	29.7	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	78%	0.782	S	S	*	*			cis	-157.1	162	19.1	-61.1	0	0	0	0	114.2
562	S	23.9	Very low	29.6	Very low	107 Å²	107	126 Å²	126	75%	0.748	77%	0.774	S	S	*	*			trans	-54.6	153.8	156.2	45.9	0	0	0	0	113.2
563	S	27.8	Very low	29.5	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	78%	0.779	S	S	*	*			cis	-176.4	155.7	-1.3	44.3	0	0	0	0	112
564	L	27.9	Very low	28.4	Very low	164 Å²	164	124.6 Å²	124.6	86%	0.859	77%	0.774	S	S	*	*			trans	63.2	150.3	167.9	-89.1	60.6	0	0	0	116
565	S	27.4	Very low	28.2	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	78%	0.776	S	S	*	*			cis	-163	152	-10.9	36	0	0	0	0	110.4
566	Q	26	Very low	28.2	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	78%	0.778	S	S	*	*			trans	-92.7	153.8	165.5	-87.8	-177.3	-12.9	0	0	110.4
567	A	29.4	Very low	27.8	Very low	100 Å²	100	133 Å²	133	83%	0.826	77%	0.772	S	S	*	*			cis	-158.2	170.7	-6.5	0	0	0	0	0	108.1
568	G	26	Very low	28.4	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	77%	0.767	S	S	*	*			cis	156.8	151.7	-9.2	0	0	0	0	0	112.8
569	N	24.7	Very low	27.9	Very low	164 Å²	164	129.7 Å²	129.7	88%	0.877	76%	0.761	S	S	*	*			trans	64.9	157.8	155.9	-72.1	-5.5	0	0	0	121.2
570	P	51.8	Low	27.7	Very low	102 Å²	102	134 Å²	134	66%	0.662	77%	0.771	S	S	*	*			cis	-146.2	173.5	-27.7	39.3	-20.6	0	0	0	117.8
571	L	24.3	Very low	27.3	Very low	154 Å²	154	132.4 Å²	132.4	81%	0.806	77%	0.767	S	S	*	*			trans	67.8	106.7	144.5	-72	158.8	0	0	0	124
572	T	28.3	Very low	27.2	Very low	109 Å²	109	132.7 Å²	132.7	67%	0.669	77%	0.768	S	S	*	*				70.8	101	111.6	-56	0	0	0	0	123.9
573	E	27.5	Very low	27.1	Very low	193 Å²	193	133 Å²	133	90%	0.902	77%	0.765	S	S	*	*				62.8	129.4	119.9	-160.5	170	-139.5	0	0	123.3
574	G	24.8	Very low	26.9	Very low	62 Å²	62	136.7 Å²	136.7	64%	0.639	77%	0.769	S	S	*	*			trans	162.2	76.9	160.1	0	0	0	0	0	121.2
575	N	23.9	Very low	26.7	Very low	168 Å²	168	134.2 Å²	134.2	90%	0.898	75%	0.753	S	S	*	*			trans	71.1	155	153.5	-65.8	-68	0	0	0	123.4
576	K	27.8	Very low	26.5	Very low	170 Å²	170	139.3 Å²	139.3	74%	0.739	76%	0.756	S	S	*	*			trans	87.3	105	157.1	-84.4	-170.8	170	-87.7	0	123.3
577	E	23.1	Very low	26.4	Very low	158 Å²	158	137.1 Å²	137.1	74%	0.738	75%	0.745	S	S	*	*				68.7	159.3	128.5	-77.1	-179.8	110.4	0	0	122.1
578	P	37	Very low	26.7	Very low	101 Å²	101	137.3 Å²	137.3	66%	0.656	74%	0.738	S	S	*	*			trans	-116.1	-165.2	-157	44.9	-34.7	0	0	0	115.1
579	D	21.2	Very low	26.7	Very low	127 Å²	127	140.9 Å²	140.9	68%	0.679	74%	0.741	S	S	*	*			trans	66.7	113.7	163.1	-60.7	-18.7	0	0	0	118.8
580	K	24.5	Very low	27.1	Very low	208 Å²	208	138.4 Å²	138.4	90%	0.904	73%	0.734	S	S	*	*				-163.6	132.8	86.6	-100.2	164.8	-167.4	164.8	0	115.6
581	T	21.3	Very low	25.8	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	74%	0.737	S	S	*	*			trans	-83	165.3	-176.9	-32.3	0	0	0	0	113.4
582	C	22	Very low	25.8	Very low	113 Å²	113	140.3 Å²	140.3	76%	0.764	74%	0.735	S	S	*	*			trans	73.2	159.5	153.3	-111.1	0	0	0	0	116.2
583	V	23.3	Very low	25.5	Very low	113 Å²	113	141.4 Å²	141.4	69%	0.685	74%	0.736	S	S	*	*			cis	-133.1	161.6	7.5	-134.2	0	0	0	0	106.9
584	K	23.1	Very low	25.3	Very low	177 Å²	177	138.7 Å²	138.7	77%	0.77	73%	0.728	S	S	*	*			cis	-177.4	161.6	39.6	-146.1	156	-176.1	177.4	0	107.8
585	E	23.1	Very low	25.2	Very low	111 Å²	111	141.3 Å²	141.3	52%	0.519	74%	0.737	S	S	.	*			cis	177.2	157.7	-28.1	-172.5	-166.6	139.4	0	0	107.3
586	R	22.7	Very low	25.2	Very low	213 Å²	213	138.2 Å²	138.2	80%	0.804	73%	0.728	S	S	*	*			trans	72.7	99.8	154.9	-98.5	178.1	169.2	120.7	-5.6	122
587	E	24.6	Very low	25	Very low	150 Å²	150	135.3 Å²	135.3	70%	0.701	73%	0.725	S	S	*	*				-34.3	179.6	117.9	-96.5	-161.6	137.9	0	0	116.9
588	P	35	Very low	25.1	Very low	105 Å²	105	136 Å²	136	68%	0.682	73%	0.728	S	S	*	*			cis	-136.2	166.3	8.8	17.1	10.3	0	0	0	118.6
589	L	27.4	Very low	24.6	Very low	139 Å²	139	138.9 Å²	138.9	73%	0.728	73%	0.733	S	S	*	*				6.6	153.6	124.9	-71.2	171.9	0	0	0	119.4
590	P	32	Very low	24.7	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	73%	0.733	S	S	*	*				-165.3	-179.4	74.5	46	-24.3	0	0	0	122.1
591	V	24	Very low	24.8	Very low	120 Å²	120	134.5 Å²	134.5	73%	0.727	72%	0.723	S	S	*	*			trans	82.6	145	142	153.9	0	0	0	0	120.4
592	K	24.5	Very low	25.1	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	72%	0.721	S	S	*	*			cis	-162.3	-166.9	-26.3	-85.9	170.6	176.2	178.2	0	105.4
593	L	22.5	Very low	25.5	Very low	132 Å²	132	137.3 Å²	137.3	69%	0.691	72%	0.717	S	S	*	*			cis	-161.5	123.8	3.4	-164	58.6	0	0	0	106.6
594	N	23.7	Very low	25.8	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	72%	0.719	S	S	*	*				74.2	159.6	78.5	-58.2	28.9	0	0	0	118.3
595	S	22.7	Very low	26.2	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	71%	0.714	S	S	*	*			trans	74.9	151.8	173.8	71.9	0	0	0	0	116.4
596	S	22.8	Very low	26.4	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	73%	0.726	S	S	*	*			cis	-169.7	167.4	0.1	26.3	0	0	0	0	109.6
597	T	24.6	Very low	26.6	Very low	109 Å²	109	132.8 Å²	132.8	67%	0.669	72%	0.723	S	S	*	*			cis	-177.3	158.1	-20	-81.8	0	0	0	0	108.7
598	E	25.5	Very low	26.7	Very low	172 Å²	172	130.8 Å²	130.8	80%	0.804	73%	0.725	S	S	*	*			trans	73.9	136	160.7	-84.9	151.9	-147.8	0	0	123.6
599	E	25.5	Very low	26.1	Very low	161 Å²	161	130.5 Å²	130.5	75%	0.752	73%	0.725	S	S	*	*			trans	66.1	121.2	139.4	-70.7	-154.3	172.3	0	0	126.8
600	N	24.7	Very low	26.1	Very low	127 Å²	127	131.2 Å²	131.2	68%	0.679	73%	0.729	S	S	*	*				82.2	132.6	125.8	-80.2	-41	0	0	0	124.6
601	V	25.7	Very low	25.7	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	73%	0.732	S	S	*	*			trans	90.5	92.4	141.9	170.6	0	0	0	0	121.3
602	I	28.5	Very low	25.8	Very low	138 Å²	138	134.1 Å²	134.1	71%	0.708	74%	0.739	S	S	*	*				76.1	126.2	121.9	-67.7	178.7	0	0	0	121.8
603	K	29.7	Very low	25.8	Very low	156 Å²	156	131.9 Å²	131.9	68%	0.678	74%	0.74	S	S	*	*			trans	69	148.5	159.1	-71.7	171.7	164.8	-75	0	118
604	E	29.9	Very low	25.9	Very low	153 Å²	153	132.9 Å²	132.9	72%	0.715	75%	0.746	S	S	*	*			cis	-171.5	167.5	-11.5	-109.9	161.8	176	0	0	105.9
605	A	30.4	Very low	25.9	Very low	81 Å²	81	132.3 Å²	132.3	67%	0.669	74%	0.743	S	S	*	*			cis	173.6	150.2	-22.7	0	0	0	0	0	106.2
606	L	28.4	Very low	26	Very low	149 Å²	149	133.5 Å²	133.5	78%	0.78	74%	0.74	S	S	*	*			cis	-147.9	151.8	-10	-92	154.5	0	0	0	104.5
607	D	25.8	Very low	26	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	74%	0.743	S	S	*	*				50.4	146.6	82.5	-98.6	-29.5	0	0	0	114.4
608	S	26.8	Very low	26	Very low	108 Å²	108	134 Å²	134	76%	0.755	75%	0.746	S	S	*	*			cis	-173.9	-179.6	11.2	42.7	0	0	0	0	108.9
609	S	24	Very low	26.2	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	75%	0.752	S	S	*	*			cis	-176.6	172.5	-37.9	-171.2	0	0	0	0	109.2
610	L	26.3	Very low	26.5	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	76%	0.756	S	S	*	*			trans	77.1	149.5	152.6	-87.8	162.5	0	0	0	123.2
611	E	24.7	Very low	26.9	Very low	168 Å²	168	129.7 Å²	129.7	79%	0.785	76%	0.76	S	S	*	*			trans	-94.4	170	174.4	-54.2	148.1	101.1	0	0	111.2
612	S	25.3	Very low	27.9	Very low	125 Å²	125	133.5 Å²	133.5	87%	0.874	77%	0.77	S	S	*	*				-179.1	156.5	129	34.2	0	0	0	0	112.6
613	T	23.6	Very low	28.3	Very low	129 Å²	129	134 Å²	134	79%	0.791	77%	0.771	S	S	*	*			trans	-107.5	137.3	174.1	46.4	0	0	0	0	110.9
614	L	26.4	Very low	29.3	Very low	153 Å²	153	130.9 Å²	130.9	80%	0.801	76%	0.762	S	S	*	*				167	140.9	124.2	-89.3	163.8	0	0	0	113.6
615	D	22.5	Very low	30.1	Very low	125 Å²	125	129.7 Å²	129.7	67%	0.668	76%	0.76	S	S	*	*			trans	59.1	117.4	143.6	-75.8	20.8	0	0	0	124.7
616	N	25.9	Very low	30.7	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	76%	0.761	S	S	*	*				64.1	111.6	125.6	-61	-38.7	0	0	0	120.8
617	S	22.3	Very low	32	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	75%	0.745	S	S	*	*				-171.9	144.7	107.8	-164.2	0	0	0	0	114.4
618	C	24.8	Very low	33.4	Very low	111 Å²	111	129.3 Å²	129.3	75%	0.75	74%	0.741	S	S	*	*			trans	33.9	114.6	155.3	-67.4	0	0	0	0	122.8
619	Q	29	Very low	34.6	Very low	196 Å²	196	128 Å²	128	92%	0.916	73%	0.728	S	S	*	*			trans	-13.1	146.8	135.3	-62.2	163.1	-21.9	0	0	118.1
620	G	32.5	Very low	35.4	Very low	82 Å²	82	129.3 Å²	129.3	85%	0.845	72%	0.723	S	S	*	*			trans	114.5	68.7	133.5	0	0	0	0	0	118.6
621	A	31.9	Very low	36.5	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	72%	0.718	S	S	*	*			trans	-138.4	105.5	158.8	0	0	0	0	0	110.8	M623	A621-M623 PolarHBondContact O-N 3.44Å
622	Q	47.7	Very low	37.6	Very low	196 Å²	196	127.3 Å²	127.3	92%	0.916	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-65.6	118	172.7	176.9	-178	49.5	0	0	109.4
623	M	36.5	Very low	38.6	Very low	148 Å²	148	125.1 Å²	125.1	73%	0.729	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-88.8	136.4	171.5	-72.6	-88	71.8	0	0	110.7	A621	A621-M623 PolarHBondContact O-N 3.44Å
624	D	50.9	Low	39.5	Very low	90 Å²	90	124.6 Å²	124.6	48%	0.481	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-72.4	124.7	175.8	170.2	14.4	0	0	0	110.3	K626 S627 E628	D624-K626 PolarHBondContact O-N 3.21Å; D624-K626 VanDerWaalsContact OD1-CB 3.27Å; D624-K626 WeakPolarHBondContact OD1-CB 3.49Å; D624-K626 PolarHBondContact OD1-N 3.36Å; D624-K626 VanDerWaalsContact OD2-CB 3.29Å; D624-K626 WeakPolarHBondContact OD2-CB 3.3Å; D624-S627 WeakPolarHBondContact O-CB 3.44Å; D624-S627 PolarHBondContact O-N 3.13Å; D624-E628 PolarHBondContact O-N 2.87Å
625	N	47.1	Very low	40.3	Very low	128 Å²	128	126 Å²	126	68%	0.684	68%	0.677	S	S	*	*	H	α-helix	trans	-44.3	-33.5	173.5	-68.7	-48.7	0	0	0	112.9	S627 V629	N625-S627 VanDerWaalsContact C-N 3.35Å; N625-S627 PolarHBondContact O-N 2.87Å; N625-V629 WeakPolarHBondContact O-CB 3.46Å; N625-V629 VanDerWaalsContact O-CG2 3.28Å; N625-V629 WeakPolarHBondContact O-CG2 3.38Å; N625-V629 PolarHBondContact O-N 3.17Å
626	K	42.8	Very low	41.3	Very low	158 Å²	158	127.9 Å²	127.9	69%	0.687	67%	0.674	S	S	*	*	H	α-helix	trans	-67	-33.1	179.7	-155.9	174.9	-173.5	175.2	0	113.3	D624 Q630	D624-K626 PolarHBondContact O-N 3.21Å; D624-K626 VanDerWaalsContact OD1-CB 3.27Å; D624-K626 WeakPolarHBondContact OD1-CB 3.49Å; D624-K626 PolarHBondContact OD1-N 3.36Å; D624-K626 VanDerWaalsContact OD2-CB 3.29Å; D624-K626 WeakPolarHBondContact OD2-CB 3.3Å; K626-Q630 WeakPolarHBondContact O-CB 3.37Å; K626-Q630 PolarHBondContact O-N 2.72Å; K626-Q630 VanDerWaalsContact O-N 3.07Å
627	S	55.8	Low	42	Very low	62 Å²	62	127.4 Å²	127.4	43%	0.434	67%	0.671	S	S	.	*	H	α-helix	trans	-78	-38.2	179.4	-63.6	0	0	0	0	111.6	D624 N625 Q630 L631	D624-S627 WeakPolarHBondContact O-CB 3.44Å; D624-S627 PolarHBondContact O-N 3.13Å; N625-S627 VanDerWaalsContact C-N 3.35Å; N625-S627 PolarHBondContact O-N 2.87Å; S627-Q630 PolarHBondContact O-N 3.09Å; S627-L631 PolarHBondContact O-N 2.82Å
628	E	55.4	Low	42.6	Very low	138 Å²	138	130.3 Å²	130.3	65%	0.645	67%	0.672	S	S	*	*	H	α-helix	trans	-64.6	-45.4	173	-174.2	167	-158.6	0	0	111.3	D624 Q630 L631 W632	D624-E628 PolarHBondContact O-N 2.87Å; E628-Q630 VanDerWaalsContact C-N 3.29Å; E628-Q630 PolarHBondContact O-N 2.79Å; E628-L631 PolarHBondContact O-N 2.8Å; E628-W632 VanDerWaalsContact O-CB 3.28Å; E628-W632 WeakPolarHBondContact O-CB 3.25Å; E628-W632 PolarHBondContact O-N 2.72Å
629	V	51.4	Low	43.3	Very low	80 Å²	80	129.5 Å²	129.5	49%	0.485	66%	0.663	S	S	.	*	H	α-helix	trans	-59.4	-38.1	172.9	168.9	0	0	0	0	111.9	N625 W632 L633	N625-V629 WeakPolarHBondContact O-CB 3.46Å; N625-V629 VanDerWaalsContact O-CG2 3.28Å; N625-V629 WeakPolarHBondContact O-CG2 3.38Å; N625-V629 PolarHBondContact O-N 3.17Å; V629-W632 PolarHBondContact O-N 2.82Å; V629-L633 HydrophobicContact CG1-CD1 3.89Å; V629-L633 HydrophobicContact CG1-CG 4.36Å; V629-L633 WeakPolarHBondContact O-CB 3.29Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.48Å; V629-L633 PolarHBondContact O-N 3.37Å
630	Q	40.3	Very low	43.6	Very low	126 Å²	126	124.9 Å²	124.9	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-69.4	-37.9	177.3	-171.8	167.4	-11.5	0	0	112.6	K626 S627 E628 L633 L634	K626-Q630 WeakPolarHBondContact O-CB 3.37Å; K626-Q630 PolarHBondContact O-N 2.72Å; K626-Q630 VanDerWaalsContact O-N 3.07Å; S627-Q630 PolarHBondContact O-N 3.09Å; E628-Q630 VanDerWaalsContact C-N 3.29Å; E628-Q630 PolarHBondContact O-N 2.79Å; Q630-L633 PolarHBondContact O-N 3.27Å; Q630-L634 HydrophobicContact CG-CD1 4.28Å; Q630-L634 WeakPolarHBondContact O-CD1 3.35Å; Q630-L634 PolarHBondContact O-N 3Å
631	L	49.3	Very low	43.9	Very low	134 Å²	134	128.1 Å²	128.1	70%	0.702	65%	0.646	S	S	*	*	H	α-helix	trans	-69	-39	174.7	-140.7	74.6	0	0	0	111.7	S627 E628 L634 K635	S627-L631 PolarHBondContact O-N 2.82Å; E628-L631 PolarHBondContact O-N 2.8Å; L631-L634 PolarHBondContact O-N 2.67Å; L631-K635 WeakPolarHBondContact O-CB 3.39Å; L631-K635 PolarHBondContact O-N 2.9Å
632	W	48.8	Very low	44.1	Very low	148 Å²	148	131.6 Å²	131.6	56%	0.561	65%	0.647	S	S	*	*	H	α-helix	trans	-62.6	-44	173.6	-174	94.2	0	0	0	111.8	E628 V629 K635 R636	E628-W632 VanDerWaalsContact O-CB 3.28Å; E628-W632 WeakPolarHBondContact O-CB 3.25Å; E628-W632 PolarHBondContact O-N 2.72Å; V629-W632 PolarHBondContact O-N 2.82Å; W632-K635 PolarHBondContact O-N 2.87Å; W632-R636 VanDerWaalsContact CH2-NH1 3.34Å; W632-R636 VanDerWaalsContact O-CB 3.28Å; W632-R636 WeakPolarHBondContact O-CB 3.28Å; W632-R636 PolarHBondContact O-N 2.88Å
633	L	46.6	Very low	43.5	Very low	78 Å²	78	128.9 Å²	128.9	41%	0.408	64%	0.639	S	S	.	*	H	α-helix	trans	-63.1	-46.5	175.5	-78	168	0	0	0	112.4	V629 Q630 K635 R636 I637	V629-L633 HydrophobicContact CG1-CD1 3.89Å; V629-L633 HydrophobicContact CG1-CG 4.36Å; V629-L633 WeakPolarHBondContact O-CB 3.29Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.48Å; V629-L633 PolarHBondContact O-N 3.37Å; Q630-L633 PolarHBondContact O-N 3.27Å; L633-K635 VanDerWaalsContact C-N 3.29Å; L633-K635 PolarHBondContact O-N 3.2Å; L633-R636 PolarHBondContact O-N 3.45Å; L633-R636 VanDerWaalsContact O-N 3.09Å; L633-I637 WeakPolarHBondContact O-CG1 3.5Å; L633-I637 PolarHBondContact O-N 2.86Å
634	L	42	Very low	43.5	Very low	119 Å²	119	128.7 Å²	128.7	62%	0.623	64%	0.639	S	S	*	*	H	α-helix	trans	-60.3	-40.2	175.8	-98.1	75.8	0	0	0	111.6	Q630 L631 R636	Q630-L634 HydrophobicContact CG-CD1 4.28Å; Q630-L634 WeakPolarHBondContact O-CD1 3.35Å; Q630-L634 PolarHBondContact O-N 3Å; L631-L634 PolarHBondContact O-N 2.67Å; L634-R636 PolarHBondContact O-N 2.82Å
635	K	43.1	Very low	42.8	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	65%	0.652	S	S	*	*	H	α-helix	trans	-70.9	-16.7	177.7	-155.9	170.2	-174.3	178.5	0	113.5	L631 W632 L633	L631-K635 WeakPolarHBondContact O-CB 3.39Å; L631-K635 PolarHBondContact O-N 2.9Å; W632-K635 PolarHBondContact O-N 2.87Å; L633-K635 VanDerWaalsContact C-N 3.29Å; L633-K635 PolarHBondContact O-N 3.2Å
636	R	43.3	Very low	41.9	Very low	164 Å²	164	131.1 Å²	131.1	62%	0.619	66%	0.658	S	S	*	*	H	α-helix	trans	-96.6	-11.2	-178.7	-165.8	170.3	-175.7	118.9	7.9	114.5	W632 L633 L634	W632-R636 VanDerWaalsContact CH2-NH1 3.34Å; W632-R636 VanDerWaalsContact O-CB 3.28Å; W632-R636 WeakPolarHBondContact O-CB 3.28Å; W632-R636 PolarHBondContact O-N 2.88Å; L633-R636 PolarHBondContact O-N 3.45Å; L633-R636 VanDerWaalsContact O-N 3.09Å; L634-R636 PolarHBondContact O-N 2.82Å
637	I	40.1	Very low	41.4	Very low	132 Å²	132	128.7 Å²	128.7	68%	0.677	66%	0.661	S	S	*	*	S	Bend	trans	-97.7	-9.2	-175.9	-69.4	168.1	0	0	0	113	L633	L633-I637 WeakPolarHBondContact O-CG1 3.5Å; L633-I637 PolarHBondContact O-N 2.86Å
638	Q	35.3	Very low	40.4	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	67%	0.674	S	S	*	*	S	Bend	trans	-101.1	31.3	-177.9	-155.6	70.4	71.1	0	0	114
639	V	40.2	Very low	39.6	Very low	93 Å²	93	130.4 Å²	130.4	56%	0.564	67%	0.673	S	S	*	*	S	Bend	trans	-124.5	131.8	171.8	-175.6	0	0	0	0	109.2
640	P	34.5	Very low	38.9	Very low	99 Å²	99	135 Å²	135	64%	0.643	69%	0.689	S	S	*	*			trans	-59.4	156.2	176.4	-26.1	36.3	0	0	0	114.1	E642	P640-E642 VanDerWaalsContact C-N 3.26Å; P640-E642 PolarHBondContact O-N 3.24Å
641	I	38.6	Very low	39	Very low	150 Å²	150	138.1 Å²	138.1	77%	0.769	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	65.7	-169	-46.2	175.2	0	0	0	111	I644	I641-I644 HydrophobicContact CG2-CB 4.39Å; I641-I644 HydrophobicContact CG2-CD1 4.33Å
642	E	36.4	Very low	38.7	Very low	166 Å²	166	134 Å²	134	78%	0.776	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-23.9	176.3	-62.1	-170.9	135.4	0	0	112.4	P640 I644	P640-E642 VanDerWaalsContact C-N 3.26Å; P640-E642 PolarHBondContact O-N 3.24Å; E642-I644 PolarHBondContact O-N 2.79Å
643	D	35.6	Very low	38.5	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	13.4	-179.5	-68.5	-38.4	0	0	0	115.5
644	I	36.8	Very low	38.9	Very low	144 Å²	144	136.6 Å²	136.6	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-6.5	-179.6	-64.3	-176.9	0	0	0	112.8	I641 E642	I641-I644 HydrophobicContact CG2-CB 4.39Å; I641-I644 HydrophobicContact CG2-CD1 4.33Å; E642-I644 PolarHBondContact O-N 2.79Å
645	L	34.3	Very low	40.1	Very low	142 Å²	142	135 Å²	135	74%	0.743	70%	0.697	S	S	*	*	S	Bend	trans	-92.8	140.4	160.1	-68.4	174	0	0	0	108.6	S647	L645-S647 PolarHBondContact O-N 3.43Å
646	P	29.5	Very low	41.5	Very low	127 Å²	127	128.4 Å²	128.4	83%	0.825	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-53.4	116.9	172.4	-25.5	34.6	0	0	0	109.9	K648	P646-K648 PolarHBondContact O-N 3.42Å
647	S	31	Very low	43.2	Very low	107 Å²	107	121 Å²	121	75%	0.748	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-61.2	138.2	-171.4	51.2	0	0	0	0	110.3	L645 A649	L645-S647 PolarHBondContact O-N 3.43Å; S647-A649 PolarHBondContact O-N 3.17Å
648	K	35.8	Very low	45.2	Very low	161 Å²	161	115.9 Å²	115.9	70%	0.7	62%	0.618	S	S	*	*	S	Bend	trans	-58.6	99.6	-170.7	-81.5	-178.1	165.8	-176.4	0	111.4	E316 P646	E316-K648 VanDerWaalsContact CD-NZ 3.3Å; E316-K648 IonicContact OE1-NZ 2.64Å; E316-K648 PolarHBondContact OE1-NZ 2.83Å; E316-K648 IonicContact OE2-NZ 4Å; E316-K648 PolarHBondContact OE2-NZ 3Å; P646-K648 PolarHBondContact O-N 3.42Å
649	A	39.2	Very low	47.6	Very low	75 Å²	75	107.7 Å²	107.7	62%	0.62	58%	0.58	S	S	*	*			trans	36.6	94.7	166.5	0	0	0	0	0	114	S647 K651	S647-A649 PolarHBondContact O-N 3.17Å; A649-K651 WeakPolarHBondContact O-CG 3.25Å; A649-K651 PolarHBondContact O-N 2.72Å
650	E	36.6	Very low	49.7	Very low	177 Å²	177	103.3 Å²	103.3	83%	0.827	55%	0.553	S	S	*	*			trans	-49.6	100.6	169	-177.3	174.1	-171.4	0	0	109.6	S652	E650-S652 PolarHBondContact O-N 3.3Å
651	K	42.7	Very low	52.1	Low	192 Å²	192	98.6 Å²	98.6	84%	0.835	52%	0.522	S	S	*	.			trans	-70.9	99.2	-174.9	-64.6	179.6	-174.7	172.2	0	107.6	A649 K653	A649-K651 WeakPolarHBondContact O-CG 3.25Å; A649-K651 PolarHBondContact O-N 2.72Å; K651-K653 PolarHBondContact O-N 3.31Å
652	S	41.6	Very low	54.1	Low	47 Å²	47	93.4 Å²	93.4	33%	0.329	49%	0.494	S	S	.	.			trans	-49.9	132.3	179.4	49.7	0	0	0	0	110.6	E650 T654 E698	E650-S652 PolarHBondContact O-N 3.3Å; S652-T654 PolarHBondContact O-N 2.68Å; S652-T654 PolarHBondContact OG-OG1 3.42Å; S652-E698 WeakPolarHBondContact CB-OE1 3.39Å; S652-E698 PolarHBondContact OG-OE1 2.67Å
653	K	45.9	Very low	56.2	Low	223 Å²	223	85.5 Å²	85.5	97%	0.97	46%	0.457	S	S	*	.	S	Bend	trans	-70.9	21.9	177.3	-63.4	179.9	179.5	176.3	0	112.6	K651	K651-K653 PolarHBondContact O-N 3.31Å
654	T	54.7	Low	57.9	Low	57 Å²	57	81.3 Å²	81.3	35%	0.35	45%	0.446	S	S	.	.	S	Bend	trans	-115.6	141	-176.8	58.2	0	0	0	0	109.7	S652 R697	S652-T654 PolarHBondContact O-N 2.68Å; S652-T654 PolarHBondContact OG-OG1 3.42Å; T654-R697 WeakPolarHBondContact OG1-CD 3.22Å
655	P	67.9	Low	59.8	Low	86 Å²	86	80.2 Å²	80.2	56%	0.558	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-60.9	147.2	177.2	25.9	-34.3	0	0	0	111.5
656	P	71.3	Confident	61.8	Low	43 Å²	43	77.6 Å²	77.6	28%	0.279	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.9	152.9	171.9	31.6	-36	0	0	0	110.3	A694 V695	P656-A694 HydrophobicContact CB-CB 4.46Å; P656-V695 WeakPolarHBondContact CB-O 3.42Å
657	M	78.3	Confident	64.1	Low	8 Å²	8	72.1 Å²	72.1	4%	0.039	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	151.5	-178.8	-58.1	-166.6	69.8	0	0	111.1	L280 N282 A694 V695 R697 V700 S746	L280-M657 HydrophobicContact CD1-CB 3.78Å; L280-M657 HydrophobicContact CD2-CB 4.05Å; L280-M657 HydrophobicContact CD2-CE 3.98Å; L280-M657 HydrophobicContact CD2-SD 3.97Å; L280-M657 HydrophobicContact CG-CB 3.94Å; L280-M657 HydrophobicContact CG-CE 4.12Å; N282-M657 WeakPolarHBondContact OD1-CE 3.45Å; M657-A694 CarbonylContact O-C 3.55Å; M657-A694 WeakPolarHBondContact O-CA 3.31Å; M657-V695 PolarHBondContact N-O 3.1Å; M657-V695 PolarHBondContact O-N 3.31Å; M657-R697 HydrophobicContact CG-CG 4.46Å; M657-R697 HydrophobicContact SD-CG 4.18Å; M657-V700 HydrophobicContact CB-CG2 4.25Å; M657-V700 HydrophobicContact CG-CG2 4.33Å; M657-V700 HydrophobicContact SD-CG1 4.42Å; M657-V700 HydrophobicContact SD-CG2 4.01Å; M657-S746 VanDerWaalsContact CE-OG 3.26Å; M657-S746 WeakPolarHBondContact CE-OG 3.44Å
658	F	83	Confident	66.4	Low	25 Å²	25	73.7 Å²	73.7	11%	0.11	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.7	-171.6	-58.4	-84	0	0	0	111	F229 Y281 D283 I284 W692 A694	F229-F658 HydrophobicContact CE2-CD1 4.1Å; F229-F658 HydrophobicContact CE2-CE1 4.14Å; F229-F658 HydrophobicContact CZ-CD1 4.31Å; F229-F658 AromaticContact CZ-CE1 3.92Å; F229-F658 HydrophobicContact CZ-CE1 3.92Å; Y281-F658 PolarHBondContact N-O 3.2Å; Y281-F658 PolarHBondContact O-N 2.99Å; D283-F658 VanDerWaalsContact C-CD2 3.48Å; I284-F658 HydrophobicContact CB-CD1 3.9Å; I284-F658 HydrophobicContact CB-CD2 4.21Å; I284-F658 HydrophobicContact CB-CE1 3.8Å; I284-F658 HydrophobicContact CB-CE2 4.11Å; I284-F658 HydrophobicContact CB-CG 4.11Å; I284-F658 HydrophobicContact CB-CZ 3.91Å; I284-F658 HydrophobicContact CD1-CD1 3.99Å; I284-F658 HydrophobicContact CD1-CE1 3.85Å; I284-F658 HydrophobicContact CG1-CD1 4.14Å; I284-F658 HydrophobicContact CG1-CE1 4.25Å; I284-F658 HydrophobicContact CG2-CE1 4.49Å; I284-F658 HydrophobicContact CG2-CZ 4.31Å; F658-W692 HydrophobicContact CB-CE3 4.33Å; F658-W692 HydrophobicContact CB-CZ3 4.39Å; F658-A694 HydrophobicContact CD1-CB 4.11Å; F658-A694 HydrophobicContact CE1-CB 4.05Å
659	L	84.8	Confident	68.5	Low	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117.4	179.3	-171.1	76.5	0	0	0	109.7	M240 I278 L280 I661 W692 F693 V695 L703 W747	M240-L659 HydrophobicContact CE-CD2 3.7Å; M240-L659 HydrophobicContact SD-CD2 4.13Å; I278-L659 HydrophobicContact CG2-CD1 3.47Å; I278-L659 VanDerWaalsContact CG2-CD1 3.47Å; I278-L659 HydrophobicContact CG2-CG 4.15Å; L280-L659 HydrophobicContact CD1-CB 3.92Å; L280-L659 HydrophobicContact CD1-CD1 3.89Å; L659-I661 HydrophobicContact CD2-CD1 4.11Å; L659-I661 HydrophobicContact CD2-CG1 4.18Å; L659-I661 HydrophobicContact CG-CG1 4.25Å; L659-W692 CarbonylContact O-C 3.49Å; L659-W692 WeakPolarHBondContact O-CA 3.38Å; L659-F693 HydrophobicContact CB-CB 4.42Å; L659-F693 PolarHBondContact N-O 3.12Å; L659-F693 PolarHBondContact O-N 2.76Å; L659-V695 HydrophobicContact CB-CG2 3.93Å; L659-V695 HydrophobicContact CD2-CG2 4.22Å; L659-L703 HydrophobicContact CD1-CD2 3.9Å; L659-L703 HydrophobicContact CD2-CD2 4.08Å; L659-W747 HydrophobicContact CD1-CH2 4.06Å
660	C	84.6	Confident	69.7	Low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.4	173	-176.5	0	0	0	0	109.3	I278 A279 Y281 Y691 W692	I278-C660 WeakPolarHBondContact CA-O 3.47Å; A279-C660 HydrophobicContact CB-CB 4.49Å; A279-C660 PolarHBondContact N-O 2.77Å; A279-C660 PolarHBondContact O-N 2.8Å; Y281-C660 HydrophobicContact CD2-CB 4.28Å; Y281-C660 HydrophobicContact CE2-CB 3.8Å; C660-Y691 WeakPolarHBondContact CA-O 3.21Å; C660-W692 HydrophobicContact CB-CD2 3.95Å; C660-W692 HydrophobicContact CB-CE3 3.9Å; C660-W692 HydrophobicContact CB-CH2 3.88Å; C660-W692 HydrophobicContact CB-CZ2 3.91Å; C660-W692 HydrophobicContact CB-CZ3 3.87Å; C660-W692 VanDerWaalsContact SG-CE2 3.51Å; C660-W692 VanDerWaalsContact SG-CZ2 3.57Å
661	I	85.5	Confident	70.7	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.1	173.7	-51.4	-177	0	0	0	108	M240 I247 V275 I278 L659 V663 E690 Y691 F693	M240-I661 HydrophobicContact SD-CD1 4.4Å; I247-I661 HydrophobicContact CD1-CD1 4.18Å; I247-I661 HydrophobicContact CG2-CD1 4.12Å; V275-I661 HydrophobicContact CG1-CG2 4.31Å; I278-I661 HydrophobicContact CG1-CG2 4.32Å; L659-I661 HydrophobicContact CD2-CD1 4.11Å; L659-I661 HydrophobicContact CD2-CG1 4.18Å; L659-I661 HydrophobicContact CG-CG1 4.25Å; I661-V663 HydrophobicContact CG2-CG1 3.84Å; I661-E690 WeakPolarHBondContact O-CA 3.45Å; I661-Y691 PolarHBondContact N-O 2.99Å; I661-Y691 PolarHBondContact O-N 3.35Å; I661-F693 HydrophobicContact CD1-CD2 4.17Å; I661-F693 HydrophobicContact CD1-CE2 3.84Å; I661-F693 HydrophobicContact CG1-CD2 4.34Å; I661-F693 HydrophobicContact CG1-CE2 4.19Å
662	K	81	Confident	70.8	Confident	40 Å²	40	58.4 Å²	58.4	17%	0.174	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.3	171.7	-47	-163.6	-172.1	-152.2	0	109	V276 S277 E690	V276-K662 PolarHBondContact N-O 2.81Å; S277-K662 PolarHBondContact N-O 3.12Å; S277-K662 PolarHBondContact O-N 2.83Å; S277-K662 WeakPolarHBondContact OG-CB 3.47Å; S277-K662 WeakPolarHBondContact OG-CD 3.24Å; S277-K662 VanDerWaalsContact OG-CG 3.3Å; S277-K662 WeakPolarHBondContact OG-CG 3.44Å; K662-E690 HydrophobicContact CD-CG 4.12Å; K662-E690 WeakPolarHBondContact CD-OE1 3.36Å; K662-E690 VanDerWaalsContact CE-OE1 3.29Å; K662-E690 WeakPolarHBondContact CE-OE1 3.32Å; K662-E690 HydrophobicContact CG-CG 4.04Å; K662-E690 IonicContact NZ-OE1 2.75Å; K662-E690 PolarHBondContact NZ-OE1 3.35Å
663	V	80.6	Confident	70.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143	-171.9	-62.2	0	0	0	0	110.4	C270 E274 I661 K665 M667 P689 Y691	C270-V663 HydrophobicContact CB-CG1 4.49Å; C270-V663 WeakPolarHBondContact SG-CG1 3.43Å; E274-V663 CarbonylContact O-C 3.6Å; E274-V663 WeakPolarHBondContact O-CA 3.1Å; E274-V663 VanDerWaalsContact O-CB 3.29Å; E274-V663 WeakPolarHBondContact O-CB 3.49Å; I661-V663 HydrophobicContact CG2-CG1 3.84Å; V663-K665 VanDerWaalsContact C-N 3.28Å; V663-K665 WeakPolarHBondContact CB-O 3.32Å; V663-K665 WeakPolarHBondContact CG2-O 3.33Å; V663-K665 PolarHBondContact O-N 3.3Å; V663-M667 HydrophobicContact CG1-CG 4.3Å; V663-M667 HydrophobicContact CG2-CG 4.17Å; V663-P689 HydrophobicContact CG2-CB 4.33Å; V663-P689 HydrophobicContact CG2-CG 4.01Å; V663-P689 PolarHBondContact N-O 2.86Å; V663-P689 VanDerWaalsContact N-O 3.1Å; V663-P689 VanDerWaalsContact O-CD 3.3Å; V663-P689 WeakPolarHBondContact O-CD 3.46Å; V663-P689 WeakPolarHBondContact O-CG 3.19Å; V663-Y691 HydrophobicContact CG2-CD2 3.88Å; V663-Y691 HydrophobicContact CG2-CE2 3.53Å
664	G	71.4	Confident	70.3	Confident	50 Å²	50	60.4 Å²	60.4	52%	0.515	33%	0.332	S	S	.	.	S	Bend	trans	-71.2	-25.7	-176	0	0	0	0	0	112.9	E274 V276	E274-G664 PolarHBondContact O-N 3.35Å; V276-G664 VanDerWaalsContact CG2-N 3.32Å
665	K	76.3	Confident	69.3	Low	121 Å²	121	64.4 Å²	64.4	53%	0.526	36%	0.356	S	S	.	.	S	Bend	trans	-130.9	147.1	173.9	-56.9	175	-142.8	150.5	0	108.1	E274 V663 M667	E274-K665 WeakPolarHBondContact OE1-CD 2.91Å; E274-K665 WeakPolarHBondContact OE1-CE 3.11Å; E274-K665 IonicContact OE1-NZ 2.72Å; E274-K665 PolarHBondContact OE1-NZ 2.88Å; V663-K665 VanDerWaalsContact C-N 3.28Å; V663-K665 WeakPolarHBondContact CB-O 3.32Å; V663-K665 WeakPolarHBondContact CG2-O 3.33Å; V663-K665 PolarHBondContact O-N 3.3Å; K665-M667 PolarHBondContact O-N 2.94Å
666	P	76.3	Confident	67.7	Low	88 Å²	88	65 Å²	65	57%	0.571	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.7	177	-23	32.7	0	0	0	111.8	P689	P666-P689 HydrophobicContact CG-CG 4.14Å
667	M	78	Confident	66	Low	12 Å²	12	67.2 Å²	67.2	6%	0.059	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55.7	141	177.4	-63.4	-179.1	77.2	0	0	110.6	L268 C270 V663 K665 Y691	L268-M667 HydrophobicContact CB-CB 4.26Å; L268-M667 HydrophobicContact CB-CE 3.6Å; L268-M667 HydrophobicContact CB-SD 4.1Å; L268-M667 HydrophobicContact CD1-CE 4.34Å; L268-M667 HydrophobicContact CD1-SD 3.93Å; L268-M667 HydrophobicContact CD2-CB 4.22Å; C270-M667 HydrophobicContact CB-CE 3.62Å; C270-M667 HydrophobicContact CB-CG 3.94Å; C270-M667 HydrophobicContact CB-SD 4.38Å; V663-M667 HydrophobicContact CG1-CG 4.3Å; V663-M667 HydrophobicContact CG2-CG 4.17Å; K665-M667 PolarHBondContact O-N 2.94Å; M667-Y691 HydrophobicContact CB-CE1 4.04Å; M667-Y691 HydrophobicContact CB-CE2 4.18Å; M667-Y691 HydrophobicContact CG-CD1 4.34Å; M667-Y691 HydrophobicContact CG-CD2 3.91Å; M667-Y691 HydrophobicContact CG-CE1 4.08Å; M667-Y691 HydrophobicContact CG-CE2 3.62Å; M667-Y691 HydrophobicContact CG-CG 4.28Å; M667-Y691 PolarHBondContact N-OH 3.05Å; M667-Y691 HydrophobicContact SD-CD1 3.69Å; M667-Y691 HydrophobicContact SD-CD2 3.76Å; M667-Y691 HydrophobicContact SD-CE1 3.99Å; M667-Y691 HydrophobicContact SD-CE2 4.06Å; M667-Y691 HydrophobicContact SD-CG 3.58Å; M667-Y691 VanDerWaalsContact SD-CG 3.58Å
668	R	78.6	Confident	63.8	Low	139 Å²	139	75.2 Å²	75.2	53%	0.525	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.9	-176.7	-52.1	178.8	-165.2	-175.3	3.8	108.8	L268 I269 E274 S670	L268-R668 CarbonylContact C-O 3.51Å; L268-R668 WeakPolarHBondContact CA-O 3.42Å; I269-R668 PolarHBondContact N-O 2.88Å; I269-R668 PolarHBondContact O-N 3.02Å; E274-R668 IonicContact OE1-CZ 2.57Å; E274-R668 IonicContact OE1-NH2 2.69Å; E274-R668 PolarHBondContact OE1-NH2 3.45Å; E274-R668 IonicContact OE2-CZ 3.76Å; E274-R668 IonicContact OE2-NE 3.25Å; E274-R668 PolarHBondContact OE2-NE 2.73Å; E274-R668 IonicContact OE2-NH2 3.12Å; E274-R668 PolarHBondContact OE2-NH2 3.48Å; E274-R668 VanDerWaalsContact OE2-NH2 3.12Å; R668-S670 PolarHBondContact O-N 2.65Å
669	K	79.5	Confident	61.7	Low	94 Å²	94	80.3 Å²	80.3	41%	0.409	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.1	175.8	-76.2	-180	171.9	179.5	0	110.4	E264 E265 G267 F671 A672	E264-K669 WeakPolarHBondContact O-CD 3.44Å; E265-K669 VanDerWaalsContact CD-NZ 3.31Å; E265-K669 WeakPolarHBondContact O-CE 3.37Å; E265-K669 IonicContact OE1-NZ 3.66Å; E265-K669 IonicContact OE2-NZ 2.83Å; E265-K669 PolarHBondContact OE2-NZ 2.9Å; G267-K669 CarbonylContact O-C 3.59Å; G267-K669 VanDerWaalsContact O-CA 3.25Å; G267-K669 WeakPolarHBondContact O-CA 3.5Å; K669-F671 PolarHBondContact O-N 3.11Å; K669-A672 HydrophobicContact CB-CB 4.35Å; K669-A672 PolarHBondContact O-N 2.91Å
670	S	65.3	Low	59.4	Low	28 Å²	28	86.6 Å²	86.6	20%	0.196	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.6	-173	-49.9	0	0	0	0	114.7	G267 L268 I269 R668	G267-S670 WeakPolarHBondContact CA-OG 3.31Å; G267-S670 PolarHBondContact O-N 2.79Å; L268-S670 PolarHBondContact N-OG 3.22Å; L268-S670 PolarHBondContact O-OG 2.81Å; I269-S670 WeakPolarHBondContact CG1-OG 3.23Å; R668-S670 PolarHBondContact O-N 2.65Å
671	F	58.4	Low	57.2	Low	84 Å²	84	95.2 Å²	95.2	37%	0.368	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	16.9	-171	-56.4	-77.2	0	0	0	113.3	E264 K669 T673	E264-F671 HydrophobicContact CB-CB 3.92Å; E264-F671 HydrophobicContact CG-CB 3.63Å; E264-F671 HydrophobicContact CG-CG 4.22Å; K669-F671 PolarHBondContact O-N 3.11Å; F671-T673 PolarHBondContact O-N 3.22Å
672	A	43.5	Very low	54.7	Low	78 Å²	78	103 Å²	103	65%	0.645	56%	0.563	S	S	*	*			trans	-64.3	102.5	-172.6	0	0	0	0	0	113.6	K669	K669-A672 HydrophobicContact CB-CB 4.35Å; K669-A672 PolarHBondContact O-N 2.91Å
673	T	36.1	Very low	52.5	Low	119 Å²	119	105.1 Å²	105.1	73%	0.73	60%	0.596	S	S	*	*			trans	-67.5	140.2	168.5	-62.9	0	0	0	0	110.4	F671 T675	F671-T673 PolarHBondContact O-N 3.22Å; T673-T675 PolarHBondContact O-N 3.1Å
674	H	42.3	Very low	50.4	Low	193 Å²	193	114 Å²	114	89%	0.894	64%	0.635	S	S	*	*			trans	-56	107.9	-175.8	-78.3	-91.7	0	0	0	113.4
675	T	33	Very low	48.9	Very low	141 Å²	141	124.1 Å²	124.1	87%	0.865	66%	0.657	S	S	*	*			trans	-143.4	137.3	156.9	-67.6	0	0	0	0	108.1	T673	T673-T675 PolarHBondContact O-N 3.1Å
676	A	33.7	Very low	47.4	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	67%	0.67	S	S	*	*			trans	-80	162.5	-155.4	0	0	0	0	0	115.3
677	A	36.2	Very low	46.6	Very low	91 Å²	91	133 Å²	133	75%	0.752	68%	0.681	S	S	*	*			trans	-56.7	147	-177	0	0	0	0	0	114.7	V679	A677-V679 HydrophobicContact CB-CG2 4.42Å
678	M	31.3	Very low	46.1	Very low	176 Å²	176	135.7 Å²	135.7	87%	0.867	69%	0.694	S	S	*	*			trans	-124.9	83.4	154	-154.8	174.3	-152.5	0	0	109.4	Q680	M678-Q680 PolarHBondContact O-N 3.32Å; M678-Q680 VanDerWaalsContact O-N 3.16Å
679	V	39.5	Very low	46	Very low	131 Å²	131	130.7 Å²	130.7	79%	0.794	68%	0.679	S	S	*	*			trans	-72.2	104.2	171.6	176.7	0	0	0	0	107.9	A677	A677-V679 HydrophobicContact CB-CG2 4.42Å
680	Q	35.5	Very low	46.2	Very low	134 Å²	134	128.7 Å²	128.7	63%	0.626	67%	0.671	S	S	*	*			trans	-106.7	109.6	174.8	-153.4	170.1	36.9	0	0	109.8	M678 Y682	M678-Q680 PolarHBondContact O-N 3.32Å; M678-Q680 VanDerWaalsContact O-N 3.16Å; Q680-Y682 HydrophobicContact CG-CE2 4.09Å; Q680-Y682 PolarHBondContact O-N 3.02Å
681	Q	40.3	Very low	47.1	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	67%	0.667	S	S	*	*			trans	-64.4	121.3	-177.5	-66.5	171.7	-65.7	0	0	111.1
682	Y	31.1	Very low	48.4	Very low	165 Å²	165	125.6 Å²	125.6	65%	0.647	65%	0.653	S	S	*	*			trans	-130.3	92.7	165.1	-82.8	-78.2	0	0	0	109.8	Q680 K684	Q680-Y682 HydrophobicContact CG-CE2 4.09Å; Q680-Y682 PolarHBondContact O-N 3.02Å; Y682-K684 PolarHBondContact O-N 3.45Å
683	G	36.4	Very low	50.5	Low	85 Å²	85	121.9 Å²	121.9	88%	0.876	62%	0.622	S	S	*	*			trans	-69.4	87	-179.4	0	0	0	0	0	113.2
684	K	34.9	Very low	52.8	Low	185 Å²	185	116.4 Å²	116.4	80%	0.804	59%	0.589	S	S	*	*	S	Bend	trans	-140.7	146.9	157.1	-71	-167	175.6	-174.9	0	108.4	Y682 R686	Y682-K684 PolarHBondContact O-N 3.45Å; K684-R686 PolarHBondContact O-N 3.2Å
685	R	40.3	Very low	54.9	Low	264 Å²	264	107.2 Å²	107.2	100%	0.996	55%	0.547	S	S	*	.			trans	-56.7	99.3	176	-68.5	180	177.3	176	-2.4	109.7
686	R	46.2	Very low	57.1	Low	210 Å²	210	102.7 Å²	102.7	79%	0.792	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-89.3	140	173.5	-73.3	-173	175	-160	-3.6	109.2	K684	K684-R686 PolarHBondContact O-N 3.2Å
687	K	58.2	Low	59	Low	186 Å²	186	103.2 Å²	103.2	81%	0.809	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-63.1	149.8	169	-62.1	-178.8	179.4	-178.6	0	109.2
688	Q	68.4	Low	60.8	Low	68 Å²	68	103.3 Å²	103.3	32%	0.318	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-54.6	145.6	174.4	-69.2	160.6	-10.3	0	0	110.2	E754	Q688-E754 PolarHBondContact NE2-OE2 2.8Å
689	P	75.6	Confident	62.8	Low	33 Å²	33	99.1 Å²	99.1	21%	0.214	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-64.9	140.5	168.1	21.1	-26.6	0	0	0	111.5	V663 P666 Y691	V663-P689 HydrophobicContact CG2-CB 4.33Å; V663-P689 HydrophobicContact CG2-CG 4.01Å; V663-P689 PolarHBondContact N-O 2.86Å; V663-P689 VanDerWaalsContact N-O 3.1Å; V663-P689 VanDerWaalsContact O-CD 3.3Å; V663-P689 WeakPolarHBondContact O-CD 3.46Å; V663-P689 WeakPolarHBondContact O-CG 3.19Å; P666-P689 HydrophobicContact CG-CG 4.14Å; P689-Y691 HydrophobicContact CB-CE2 4.07Å
690	E	83.6	Confident	64.5	Low	53 Å²	53	93.1 Å²	93.1	25%	0.248	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.9	-173	-52.7	-178.6	147.1	0	0	108.2	I661 K662	I661-E690 WeakPolarHBondContact O-CA 3.45Å; K662-E690 HydrophobicContact CD-CG 4.12Å; K662-E690 WeakPolarHBondContact CD-OE1 3.36Å; K662-E690 VanDerWaalsContact CE-OE1 3.29Å; K662-E690 WeakPolarHBondContact CE-OE1 3.32Å; K662-E690 HydrophobicContact CG-CG 4.04Å; K662-E690 IonicContact NZ-OE1 2.75Å; K662-E690 PolarHBondContact NZ-OE1 3.35Å
691	Y	84.4	Confident	66.2	Low	29 Å²	29	91.9 Å²	91.9	11%	0.114	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.3	-176.4	-65.7	-101.1	0	0	0	109.3	Y228 L268 C660 I661 V663 M667 P689	Y228-Y691 AromaticContact CE2-CD1 3.84Å; Y228-Y691 HydrophobicContact CE2-CD1 3.84Å; Y228-Y691 AromaticContact CZ-CD1 3.91Å; Y228-Y691 WeakPolarHBondContact OH-CD1 3.4Å; L268-Y691 HydrophobicContact CD1-CD1 3.64Å; L268-Y691 HydrophobicContact CD1-CE1 3.96Å; L268-Y691 HydrophobicContact CD2-CE1 4.12Å; C660-Y691 WeakPolarHBondContact CA-O 3.21Å; I661-Y691 PolarHBondContact N-O 2.99Å; I661-Y691 PolarHBondContact O-N 3.35Å; V663-Y691 HydrophobicContact CG2-CD2 3.88Å; V663-Y691 HydrophobicContact CG2-CE2 3.53Å; M667-Y691 HydrophobicContact CB-CE1 4.04Å; M667-Y691 HydrophobicContact CB-CE2 4.18Å; M667-Y691 HydrophobicContact CG-CD1 4.34Å; M667-Y691 HydrophobicContact CG-CD2 3.91Å; M667-Y691 HydrophobicContact CG-CE1 4.08Å; M667-Y691 HydrophobicContact CG-CE2 3.62Å; M667-Y691 HydrophobicContact CG-CG 4.28Å; M667-Y691 PolarHBondContact N-OH 3.05Å; M667-Y691 HydrophobicContact SD-CD1 3.69Å; M667-Y691 HydrophobicContact SD-CD2 3.76Å; M667-Y691 HydrophobicContact SD-CE1 3.99Å; M667-Y691 HydrophobicContact SD-CE2 4.06Å; M667-Y691 HydrophobicContact SD-CG 3.58Å; M667-Y691 VanDerWaalsContact SD-CG 3.58Å; P689-Y691 HydrophobicContact CB-CE2 4.07Å
692	W	85.9	Confident	67.7	Low	17 Å²	17	88 Å²	88	6%	0.064	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.7	-171.1	-71.7	82	0	0	0	111.4	Y228 F229 Y281 H286 M287 F658 L659 C660	Y228-W692 WeakPolarHBondContact CD2-O 3.44Å; F229-W692 HydrophobicContact CB-CB 4.14Å; F229-W692 HydrophobicContact CD2-CB 4.45Å; F229-W692 PolarHBondContact N-O 3.36Å; Y281-W692 AromaticContact CD2-CH2 3.81Å; Y281-W692 HydrophobicContact CD2-CH2 3.81Å; Y281-W692 AromaticContact CD2-CZ3 3.64Å; Y281-W692 HydrophobicContact CD2-CZ3 3.64Å; Y281-W692 AromaticContact CE2-CH2 3.62Å; Y281-W692 HydrophobicContact CE2-CH2 3.62Å; Y281-W692 AromaticContact CE2-CZ3 3.92Å; Y281-W692 HydrophobicContact CE2-CZ3 3.92Å; Y281-W692 HydrophobicContact CG-CH2 4.43Å; Y281-W692 HydrophobicContact CG-CZ3 4.25Å; H286-W692 HydrophobicContact CB-CH2 3.8Å; M287-W692 HydrophobicContact CB-CD2 4.3Å; M287-W692 HydrophobicContact CB-CZ2 4.39Å; M287-W692 HydrophobicContact CG-CD2 4.25Å; M287-W692 HydrophobicContact CG-CG 4.19Å; M287-W692 HydrophobicContact SD-CB 4.34Å; M287-W692 HydrophobicContact SD-CG 4.2Å; F658-W692 HydrophobicContact CB-CE3 4.33Å; F658-W692 HydrophobicContact CB-CZ3 4.39Å; L659-W692 CarbonylContact O-C 3.49Å; L659-W692 WeakPolarHBondContact O-CA 3.38Å; C660-W692 HydrophobicContact CB-CD2 3.95Å; C660-W692 HydrophobicContact CB-CE3 3.9Å; C660-W692 HydrophobicContact CB-CH2 3.88Å; C660-W692 HydrophobicContact CB-CZ2 3.91Å; C660-W692 HydrophobicContact CB-CZ3 3.87Å; C660-W692 VanDerWaalsContact SG-CE2 3.51Å; C660-W692 VanDerWaalsContact SG-CZ2 3.57Å
693	F	87.3	Confident	69.7	Low	1 Å²	1	80.1 Å²	80.1	0%	0.004	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.4	-178.3	-53.5	-95.7	0	0	0	111.2	C226 R227 Y228 F249 L268 L659 I661	C226-F693 HydrophobicContact CB-CB 4.46Å; R227-F693 CarbonylContact O-C 3.41Å; R227-F693 VanDerWaalsContact O-CA 3.24Å; R227-F693 WeakPolarHBondContact O-CA 3.43Å; Y228-F693 AromaticContact CD2-CD1 3.88Å; Y228-F693 HydrophobicContact CD2-CD1 3.88Å; Y228-F693 AromaticContact CD2-CE1 3.49Å; Y228-F693 HydrophobicContact CD2-CE1 3.49Å; Y228-F693 VanDerWaalsContact CD2-CE1 3.49Å; Y228-F693 HydrophobicContact CD2-CE2 4.46Å; Y228-F693 AromaticContact CD2-CZ 3.82Å; Y228-F693 HydrophobicContact CD2-CZ 3.82Å; Y228-F693 HydrophobicContact CE2-CE1 4.4Å; Y228-F693 HydrophobicContact CE2-CZ 4.33Å; Y228-F693 HydrophobicContact CG-CD1 4.15Å; Y228-F693 AromaticContact CG-CE1 3.77Å; Y228-F693 HydrophobicContact CG-CE1 3.77Å; Y228-F693 HydrophobicContact CG-CZ 4.46Å; F249-F693 HydrophobicContact CB-CE1 4.01Å; F249-F693 HydrophobicContact CD1-CE1 4.35Å; F249-F693 HydrophobicContact CD2-CD1 4.12Å; F249-F693 AromaticContact CD2-CE1 3.88Å; F249-F693 HydrophobicContact CD2-CE1 3.88Å; F249-F693 HydrophobicContact CE2-CD1 4.4Å; F249-F693 HydrophobicContact CE2-CE1 4.44Å; F249-F693 AromaticContact CG-CE1 3.82Å; F249-F693 HydrophobicContact CG-CE1 3.82Å; L268-F693 HydrophobicContact CD1-CE1 4.43Å; L268-F693 HydrophobicContact CD1-CZ 4.04Å; L659-F693 HydrophobicContact CB-CB 4.42Å; L659-F693 PolarHBondContact N-O 3.12Å; L659-F693 PolarHBondContact O-N 2.76Å; I661-F693 HydrophobicContact CD1-CD2 4.17Å; I661-F693 HydrophobicContact CD1-CE2 3.84Å; I661-F693 HydrophobicContact CG1-CD2 4.34Å; I661-F693 HydrophobicContact CG1-CE2 4.19Å
694	A	85.4	Confident	71.2	Confident	4 Å²	4	78.4 Å²	78.4	3%	0.033	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.7	167.8	0	0	0	0	0	110.4	C226 R227 F229 P656 M657 F658	C226-A694 CarbonylContact C-O 3.56Å; C226-A694 WeakPolarHBondContact CA-O 3.4Å; C226-A694 WeakPolarHBondContact CB-O 3.31Å; R227-A694 HydrophobicContact CB-CB 4.38Å; R227-A694 PolarHBondContact N-O 2.88Å; R227-A694 PolarHBondContact O-N 3.48Å; F229-A694 HydrophobicContact CE2-CB 3.75Å; F229-A694 HydrophobicContact CZ-CB 4.25Å; P656-A694 HydrophobicContact CB-CB 4.46Å; M657-A694 CarbonylContact O-C 3.55Å; M657-A694 WeakPolarHBondContact O-CA 3.31Å; F658-A694 HydrophobicContact CD1-CB 4.11Å; F658-A694 HydrophobicContact CE1-CB 4.05Å
695	V	85.4	Confident	72.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.2	-175.2	176.2	0	0	0	0	110.1	M224 C226 M240 P656 M657 L659 R699 V700	M224-V695 HydrophobicContact SD-CG1 3.58Å; M224-V695 VanDerWaalsContact SD-CG1 3.58Å; M224-V695 HydrophobicContact SD-CG2 4.16Å; C226-V695 HydrophobicContact CB-CG2 4.21Å; M240-V695 HydrophobicContact CE-CG2 4.5Å; P656-V695 WeakPolarHBondContact CB-O 3.42Å; M657-V695 PolarHBondContact N-O 3.1Å; M657-V695 PolarHBondContact O-N 3.31Å; L659-V695 HydrophobicContact CB-CG2 3.93Å; L659-V695 HydrophobicContact CD2-CG2 4.22Å; V695-R699 HydrophobicContact CG1-CB 4.49Å; V695-V700 HydrophobicContact CG1-CG2 4.43Å
696	P	80	Confident	74.1	Confident	45 Å²	45	61.1 Å²	61.1	29%	0.292	28%	0.278	S	S	.	.			trans	-62	135.9	173.8	-22	33.2	0	0	0	111.9	N225 E698 R699	N225-P696 WeakPolarHBondContact O-CD 3.18Å; P696-E698 VanDerWaalsContact C-N 3.3Å; P696-E698 PolarHBondContact O-N 2.7Å; P696-R699 HydrophobicContact CB-CG 4.34Å; P696-R699 PolarHBondContact O-N 2.83Å
697	R	72.6	Confident	75.1	Confident	109 Å²	109	52.3 Å²	52.3	41%	0.411	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.9	-38.1	-174.9	-166.4	172	179.1	155.9	-3	112.6	T654 M657 R699 V700	T654-R697 WeakPolarHBondContact OG1-CD 3.22Å; M657-R697 HydrophobicContact CG-CG 4.46Å; M657-R697 HydrophobicContact SD-CG 4.18Å; R697-R699 PolarHBondContact O-N 2.73Å; R697-V700 VanDerWaalsContact O-CB 3.3Å; R697-V700 WeakPolarHBondContact O-CB 3.47Å; R697-V700 PolarHBondContact O-N 3.43Å
698	E	74.1	Confident	75.1	Confident	94 Å²	94	45.7 Å²	45.7	44%	0.439	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.4	-17.1	174.2	-54.4	126.4	-124.8	0	0	114.5	S652 P696 H702	S652-E698 WeakPolarHBondContact CB-OE1 3.39Å; S652-E698 PolarHBondContact OG-OE1 2.67Å; P696-E698 VanDerWaalsContact C-N 3.3Å; P696-E698 PolarHBondContact O-N 2.7Å; E698-H702 PolarHBondContact O-ND1 2.96Å
699	R	74.5	Confident	74.3	Confident	87 Å²	87	47.3 Å²	47.3	33%	0.328	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-106.5	1.5	-179.6	-54.6	-63.7	-80.6	172.5	-7.6	112.6	K223 M224 V695 P696 R697 L703	K223-R699 PolarHBondContact O-NH2 2.69Å; M224-R699 HydrophobicContact CB-CB 4.49Å; V695-R699 HydrophobicContact CG1-CB 4.49Å; P696-R699 HydrophobicContact CB-CG 4.34Å; P696-R699 PolarHBondContact O-N 2.83Å; R697-R699 PolarHBondContact O-N 2.73Å; R699-L703 WeakPolarHBondContact O-CB 3.34Å; R699-L703 PolarHBondContact O-N 3Å; R699-L703 VanDerWaalsContact O-N 3.09Å
700	V	75.1	Confident	73.3	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-71.4	-49.1	176.6	168	0	0	0	0	111.1	L280 M657 V695 R697 H702 L703 Y704 W747	L280-V700 HydrophobicContact CD2-CB 4.06Å; L280-V700 HydrophobicContact CD2-CG1 3.26Å; L280-V700 HydrophobicContact CD2-CG2 3.62Å; M657-V700 HydrophobicContact CB-CG2 4.25Å; M657-V700 HydrophobicContact CG-CG2 4.33Å; M657-V700 HydrophobicContact SD-CG1 4.42Å; M657-V700 HydrophobicContact SD-CG2 4.01Å; V695-V700 HydrophobicContact CG1-CG2 4.43Å; R697-V700 VanDerWaalsContact O-CB 3.3Å; R697-V700 WeakPolarHBondContact O-CB 3.47Å; R697-V700 PolarHBondContact O-N 3.43Å; V700-H702 VanDerWaalsContact C-N 3.28Å; V700-H702 PolarHBondContact O-N 3.27Å; V700-L703 WeakPolarHBondContact O-CA 3.4Å; V700-L703 WeakPolarHBondContact O-CB 3.46Å; V700-L703 PolarHBondContact O-N 3.1Å; V700-Y704 PolarHBondContact O-N 3.32Å; V700-W747 HydrophobicContact CG1-CZ2 4.28Å
701	D	70.1	Confident	71.7	Confident	109 Å²	109	49 Å²	49	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-67.5	-36.1	-178.8	-47.1	-45	0	0	0	110.4	L703 Y704 T705	D701-L703 VanDerWaalsContact C-N 3.28Å; D701-L703 PolarHBondContact O-N 2.97Å; D701-Y704 PolarHBondContact O-N 2.86Å; D701-T705 WeakPolarHBondContact O-CB 3.46Å; D701-T705 PolarHBondContact O-N 2.98Å; D701-T705 PolarHBondContact O-OG1 2.71Å; D701-T705 VanDerWaalsContact O-OG1 3.05Å
702	H	72.2	Confident	69.5	Low	99 Å²	99	52 Å²	52	46%	0.458	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-32.8	169.2	-67.9	103.3	0	0	0	113.4	L222 E698 V700 F706	L222-H702 HydrophobicContact CD1-CB 4.39Å; L222-H702 WeakPolarHBondContact CD2-O 3.29Å; E698-H702 PolarHBondContact O-ND1 2.96Å; V700-H702 VanDerWaalsContact C-N 3.28Å; V700-H702 PolarHBondContact O-N 3.27Å; H702-F706 VanDerWaalsContact O-CB 3.23Å; H702-F706 WeakPolarHBondContact O-CB 3.31Å; H702-F706 PolarHBondContact O-N 3.41Å
703	L	73.1	Confident	67.2	Low	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-75.5	-41.8	176.4	-176.1	59.8	0	0	0	111.5	L222 M224 V242 L659 R699 V700 D701 F706 F707 W747	L222-L703 HydrophobicContact CD2-CB 4.02Å; L222-L703 HydrophobicContact CD2-CD1 3.74Å; L222-L703 HydrophobicContact CD2-CG 4.5Å; M224-L703 HydrophobicContact CE-CB 4.11Å; M224-L703 HydrophobicContact CE-CD1 3.89Å; M224-L703 HydrophobicContact CE-CD2 4.24Å; M224-L703 HydrophobicContact CE-CG 4.3Å; V242-L703 HydrophobicContact CG2-CD1 4.04Å; L659-L703 HydrophobicContact CD1-CD2 3.9Å; L659-L703 HydrophobicContact CD2-CD2 4.08Å; R699-L703 WeakPolarHBondContact O-CB 3.34Å; R699-L703 PolarHBondContact O-N 3Å; R699-L703 VanDerWaalsContact O-N 3.09Å; V700-L703 WeakPolarHBondContact O-CA 3.4Å; V700-L703 WeakPolarHBondContact O-CB 3.46Å; V700-L703 PolarHBondContact O-N 3.1Å; D701-L703 VanDerWaalsContact C-N 3.28Å; D701-L703 PolarHBondContact O-N 2.97Å; L703-F706 PolarHBondContact O-N 3.02Å; L703-F707 HydrophobicContact CD1-CD2 4Å; L703-F707 HydrophobicContact CD1-CE2 3.34Å; L703-F707 HydrophobicContact CD1-CZ 3.85Å; L703-F707 HydrophobicContact CD2-CE2 4.39Å; L703-F707 HydrophobicContact CG-CD2 4.09Å; L703-F707 HydrophobicContact CG-CE2 3.65Å; L703-F707 WeakPolarHBondContact O-CD2 3.15Å; L703-F707 PolarHBondContact O-N 3.3Å; L703-F707 VanDerWaalsContact O-N 3.13Å; L703-W747 HydrophobicContact CB-CZ2 4.38Å; L703-W747 HydrophobicContact CD2-CH2 3.81Å; L703-W747 HydrophobicContact CD2-CZ2 4.09Å; L703-W747 HydrophobicContact CG-CH2 3.91Å; L703-W747 HydrophobicContact CG-CZ2 4.18Å
704	Y	67.6	Low	65.3	Low	49 Å²	49	60.5 Å²	60.5	19%	0.192	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-56.6	172.9	-172.6	-107.1	0	0	0	110.8	V700 D701 F706 F707 V708 V726 E728 W747	V700-Y704 PolarHBondContact O-N 3.32Å; D701-Y704 PolarHBondContact O-N 2.86Å; Y704-F706 VanDerWaalsContact C-N 3.27Å; Y704-F706 PolarHBondContact O-N 3.17Å; Y704-F707 PolarHBondContact O-N 2.84Å; Y704-F707 VanDerWaalsContact O-N 3.1Å; Y704-V708 HydrophobicContact CD1-CG2 4.28Å; Y704-V708 HydrophobicContact CE1-CG2 4Å; Y704-V708 HydrophobicContact CE2-CG2 4.31Å; Y704-V708 WeakPolarHBondContact O-CG2 3.25Å; Y704-V708 PolarHBondContact O-N 3.06Å; Y704-V726 HydrophobicContact CE2-CG1 3.65Å; Y704-E728 WeakPolarHBondContact OH-CG 3.42Å; Y704-E728 PolarHBondContact OH-OE1 3.23Å; Y704-W747 HydrophobicContact CD2-CB 4.35Å; Y704-W747 HydrophobicContact CD2-CD2 4.04Å; Y704-W747 AromaticContact CD2-CG 3.95Å; Y704-W747 HydrophobicContact CD2-CG 3.95Å; Y704-W747 HydrophobicContact CE2-CB 4.28Å; Y704-W747 HydrophobicContact CE2-CG 4.36Å
705	T	67.1	Low	63.4	Low	74 Å²	74	68.6 Å²	68.6	45%	0.454	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-34.9	177.6	-58.2	0	0	0	0	112.2	D701 V708 Q709	D701-T705 WeakPolarHBondContact O-CB 3.46Å; D701-T705 PolarHBondContact O-N 2.98Å; D701-T705 PolarHBondContact O-OG1 2.71Å; D701-T705 VanDerWaalsContact O-OG1 3.05Å; T705-V708 PolarHBondContact O-N 3.16Å; T705-Q709 WeakPolarHBondContact O-CB 3.29Å; T705-Q709 PolarHBondContact O-N 2.69Å
706	F	69.1	Low	61.1	Low	11 Å²	11	70.9 Å²	70.9	5%	0.048	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-43.9	175	-175.3	-87.7	0	0	0	112.3	V219 L222 V242 H702 L703 Y704 W710	V219-F706 HydrophobicContact CG1-CE2 4.4Å; V219-F706 WeakPolarHBondContact O-CE2 3.42Å; L222-F706 HydrophobicContact CB-CB 4.28Å; L222-F706 HydrophobicContact CB-CD1 4.32Å; L222-F706 HydrophobicContact CB-CD2 3.61Å; L222-F706 HydrophobicContact CB-CE2 3.96Å; L222-F706 HydrophobicContact CB-CG 3.8Å; L222-F706 HydrophobicContact CB-CZ 4.48Å; L222-F706 HydrophobicContact CD2-CB 3.86Å; L222-F706 HydrophobicContact CD2-CG 4.23Å; V242-F706 HydrophobicContact CB-CE1 4.32Å; V242-F706 HydrophobicContact CG1-CD1 3.89Å; V242-F706 HydrophobicContact CG1-CE1 3.64Å; H702-F706 VanDerWaalsContact O-CB 3.23Å; H702-F706 WeakPolarHBondContact O-CB 3.31Å; H702-F706 PolarHBondContact O-N 3.41Å; L703-F706 PolarHBondContact O-N 3.02Å; Y704-F706 VanDerWaalsContact C-N 3.27Å; Y704-F706 PolarHBondContact O-N 3.17Å; F706-W710 AromaticContact CD2-CD1 3.88Å; F706-W710 AromaticContact CE1-CD1 3.8Å; F706-W710 HydrophobicContact CE1-CG 4.4Å; F706-W710 AromaticContact CE2-CD1 3.6Å; F706-W710 AromaticContact CE2-NE1 3.4Å; F706-W710 AromaticContact CZ-CD1 3.54Å; F706-W710 HydrophobicContact CZ-CG 4.36Å; F706-W710 AromaticContact CZ-NE1 3.5Å; F706-W710 WeakPolarHBondContact O-CB 3.39Å; F706-W710 PolarHBondContact O-N 3.12Å
707	F	68	Low	59.1	Low	25 Å²	25	78.5 Å²	78.5	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-39.5	177	-70.3	-57.4	0	0	0	112.3	V242 M272 I278 L703 Y704 S711 W747 I749	V242-F707 HydrophobicContact CG1-CE1 3.8Å; V242-F707 HydrophobicContact CG1-CZ 3.97Å; M272-F707 HydrophobicContact CE-CE1 4.21Å; I278-F707 HydrophobicContact CD1-CE1 3.91Å; I278-F707 HydrophobicContact CD1-CE2 3.96Å; I278-F707 HydrophobicContact CD1-CZ 3.39Å; I278-F707 HydrophobicContact CG2-CE2 4.38Å; L703-F707 HydrophobicContact CD1-CD2 4Å; L703-F707 HydrophobicContact CD1-CE2 3.34Å; L703-F707 HydrophobicContact CD1-CZ 3.85Å; L703-F707 HydrophobicContact CD2-CE2 4.39Å; L703-F707 HydrophobicContact CG-CD2 4.09Å; L703-F707 HydrophobicContact CG-CE2 3.65Å; L703-F707 WeakPolarHBondContact O-CD2 3.15Å; L703-F707 PolarHBondContact O-N 3.3Å; L703-F707 VanDerWaalsContact O-N 3.13Å; Y704-F707 PolarHBondContact O-N 2.84Å; Y704-F707 VanDerWaalsContact O-N 3.1Å; F707-S711 PolarHBondContact O-OG 3.09Å; F707-W747 HydrophobicContact CE2-CH2 4.45Å; F707-I749 HydrophobicContact CB-CD1 3.52Å; F707-I749 HydrophobicContact CD2-CD1 3.49Å; F707-I749 VanDerWaalsContact CD2-CD1 3.49Å; F707-I749 HydrophobicContact CE2-CD1 4.38Å; F707-I749 HydrophobicContact CG-CD1 3.72Å
708	V	58.7	Low	57.4	Low	48 Å²	48	80 Å²	80	29%	0.291	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-45.3	178.1	175.4	0	0	0	0	112	Y704 T705 W710 S711 V726	Y704-V708 HydrophobicContact CD1-CG2 4.28Å; Y704-V708 HydrophobicContact CE1-CG2 4Å; Y704-V708 HydrophobicContact CE2-CG2 4.31Å; Y704-V708 WeakPolarHBondContact O-CG2 3.25Å; Y704-V708 PolarHBondContact O-N 3.06Å; T705-V708 PolarHBondContact O-N 3.16Å; V708-W710 VanDerWaalsContact C-N 3.28Å; V708-W710 PolarHBondContact O-N 3.28Å; V708-S711 PolarHBondContact O-N 2.9Å; V708-S711 PolarHBondContact O-OG 2.62Å; V708-V726 HydrophobicContact CG2-CG2 4.32Å
709	Q	50.3	Low	55.8	Low	102 Å²	102	77.4 Å²	77.4	48%	0.477	40%	0.396	S	S	.	.	H	α-helix	trans	-73.3	-17.5	-178.9	-164.8	177.1	22.2	0	0	113.4	T705 S711 P712	T705-Q709 WeakPolarHBondContact O-CB 3.29Å; T705-Q709 PolarHBondContact O-N 2.69Å; Q709-S711 VanDerWaalsContact C-N 3.28Å; Q709-P712 WeakPolarHBondContact O-CD 3.39Å
710	W	54.8	Low	54.1	Low	100 Å²	100	82.9 Å²	82.9	38%	0.379	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.2	167.7	-88.2	89.1	0	0	0	114.3	V218 V219 P244 F706 V708	V218-W710 HydrophobicContact CB-CZ2 4.48Å; V218-W710 HydrophobicContact CG1-CD2 4.36Å; V218-W710 HydrophobicContact CG1-CH2 4.16Å; V218-W710 HydrophobicContact CG1-CZ2 3.46Å; V218-W710 VanDerWaalsContact CG1-CZ2 3.46Å; V219-W710 PolarHBondContact O-NE1 2.63Å; P244-W710 HydrophobicContact CB-CD2 4.14Å; P244-W710 HydrophobicContact CB-CE3 3.69Å; P244-W710 HydrophobicContact CB-CH2 4.25Å; P244-W710 HydrophobicContact CB-CZ3 3.73Å; P244-W710 HydrophobicContact CG-CD2 3.65Å; P244-W710 HydrophobicContact CG-CE3 3.53Å; P244-W710 HydrophobicContact CG-CH2 3.41Å; P244-W710 VanDerWaalsContact CG-CH2 3.41Å; P244-W710 HydrophobicContact CG-CZ2 3.51Å; P244-W710 HydrophobicContact CG-CZ3 3.4Å; F706-W710 AromaticContact CD2-CD1 3.88Å; F706-W710 AromaticContact CE1-CD1 3.8Å; F706-W710 HydrophobicContact CE1-CG 4.4Å; F706-W710 AromaticContact CE2-CD1 3.6Å; F706-W710 AromaticContact CE2-NE1 3.4Å; F706-W710 AromaticContact CZ-CD1 3.54Å; F706-W710 HydrophobicContact CZ-CG 4.36Å; F706-W710 AromaticContact CZ-NE1 3.5Å; F706-W710 WeakPolarHBondContact O-CB 3.39Å; F706-W710 PolarHBondContact O-N 3.12Å; V708-W710 VanDerWaalsContact C-N 3.28Å; V708-W710 PolarHBondContact O-N 3.28Å
711	S	49.3	Very low	52.6	Low	22 Å²	22	91.4 Å²	91.4	15%	0.154	46%	0.462	C	S	.	.			trans	-122.8	45.4	174.7	41.7	0	0	0	0	114.2	F707 V708 Q709 V714	F707-S711 PolarHBondContact O-OG 3.09Å; V708-S711 PolarHBondContact O-N 2.9Å; V708-S711 PolarHBondContact O-OG 2.62Å; Q709-S711 VanDerWaalsContact C-N 3.28Å; S711-V714 WeakPolarHBondContact O-CB 3.07Å; S711-V714 PolarHBondContact O-N 3.44Å
712	P	39.1	Very low	51.2	Low	90 Å²	90	94.4 Å²	94.4	58%	0.584	47%	0.473	S	S	*	.	S	Bend	trans	-70.8	-41.3	-176	30.9	-34.2	0	0	0	112.9	Q709 V714	Q709-P712 WeakPolarHBondContact O-CD 3.39Å; P712-V714 PolarHBondContact O-N 3.39Å
713	D	37.4	Very low	50	Low	138 Å²	138	90.3 Å²	90.3	74%	0.738	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-75.8	-10.5	177.8	-58	-55.8	0	0	0	112.6	Y715 G716	D713-Y715 PolarHBondContact O-N 2.82Å; D713-G716 PolarHBondContact O-N 2.95Å
714	V	46.8	Very low	48.5	Very low	59 Å²	59	93.5 Å²	93.5	36%	0.358	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-73.3	-8.1	-177.2	-174.9	0	0	0	0	112.4	S711 P712 A719	S711-V714 WeakPolarHBondContact O-CB 3.07Å; S711-V714 PolarHBondContact O-N 3.44Å; P712-V714 PolarHBondContact O-N 3.39Å; V714-A719 HydrophobicContact CG1-CB 4.02Å; V714-A719 WeakPolarHBondContact O-CB 3.43Å
715	Y	45.8	Very low	47.4	Very low	175 Å²	175	93.4 Å²	93.4	69%	0.686	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-99.8	2.4	170.4	-65.2	-88.7	0	0	0	113	D713	D713-Y715 PolarHBondContact O-N 2.82Å
716	G	36.7	Very low	46.3	Very low	47 Å²	47	91.2 Å²	91.2	49%	0.485	46%	0.462	S	S	.	.	S	Bend	trans	-110.6	72.2	-177.1	0	0	0	0	0	114.8	D713 D718	D713-G716 PolarHBondContact O-N 2.95Å; G716-D718 PolarHBondContact O-N 3.07Å
717	K	37.7	Very low	45.2	Very low	205 Å²	205	92.3 Å²	92.3	89%	0.891	47%	0.469	S	S	*	.	S	Bend	trans	57.7	-35.6	172.2	-79.5	-171.3	172.7	-177	0	119.9	A719	K717-A719 PolarHBondContact O-N 3.04Å
718	D	38.7	Very low	43.9	Very low	142 Å²	142	96.9 Å²	96.9	76%	0.759	49%	0.491	S	S	*	.			trans	-95.9	16.1	-172.5	-66.6	-34.6	0	0	0	114.5	G716 K720	G716-D718 PolarHBondContact O-N 3.07Å; D718-K720 PolarHBondContact O-N 3.19Å
719	A	40.7	Very low	43.1	Very low	38 Å²	38	100.3 Å²	100.3	31%	0.314	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-2.9	-179.1	0	0	0	0	0	116.2	V714 K717 E721	V714-A719 HydrophobicContact CG1-CB 4.02Å; V714-A719 WeakPolarHBondContact O-CB 3.43Å; K717-A719 PolarHBondContact O-N 3.04Å; A719-E721 VanDerWaalsContact C-N 3.33Å; A719-E721 PolarHBondContact O-N 3.36Å
720	K	37.6	Very low	42.5	Very low	202 Å²	202	101 Å²	101	88%	0.878	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.4	-178.8	-77.5	-175.4	174.8	179.1	0	114.2	D718	D718-K720 PolarHBondContact O-N 3.19Å
721	E	43.3	Very low	41.9	Very low	185 Å²	185	101.8 Å²	101.8	86%	0.864	51%	0.513	S	S	*	.	S	Bend	trans	-97.9	-16.1	-172.9	-61.9	-155.7	152.4	0	0	116.5	A719	A719-E721 VanDerWaalsContact C-N 3.33Å; A719-E721 PolarHBondContact O-N 3.36Å
722	Q	41.2	Very low	41.7	Very low	172 Å²	172	102.8 Å²	102.8	80%	0.804	52%	0.517	S	S	*	.	S	Bend	trans	-126.2	9.2	-169.7	-68	-164.4	24.2	0	0	117.4
723	G	47.1	Very low	41.6	Very low	13 Å²	13	103.5 Å²	103.5	13%	0.134	52%	0.516	C	S	.	.			trans	83.6	22.5	141.5	0	0	0	0	0	119.9	T751 V752	G723-T751 CarbonylContact O-C 3.47Å; G723-T751 VanDerWaalsContact O-C 3.25Å; G723-T751 WeakPolarHBondContact O-CA 3.36Å; G723-T751 WeakPolarHBondContact O-CB 3.38Å; G723-V752 PolarHBondContact O-N 2.87Å
724	F	42.5	Very low	41.7	Very low	66 Å²	66	104.9 Å²	104.9	29%	0.289	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	170	-70.3	-90	0	0	0	115.6	M272 V275 I750 T751	M272-F724 HydrophobicContact CG-CE2 4.22Å; M272-F724 HydrophobicContact CG-CZ 4.23Å; V275-F724 HydrophobicContact CB-CE1 4.46Å; V275-F724 HydrophobicContact CB-CZ 4.35Å; V275-F724 HydrophobicContact CG1-CE1 4.36Å; F724-I750 CarbonylContact C-O 3.59Å; F724-I750 WeakPolarHBondContact CA-O 3.42Å; F724-T751 HydrophobicContact CD1-CG2 3.96Å; F724-T751 HydrophobicContact CE1-CG2 3.41Å; F724-T751 VanDerWaalsContact CE1-CG2 3.41Å; F724-T751 HydrophobicContact CE2-CG2 4.37Å; F724-T751 HydrophobicContact CZ-CG2 3.64Å
725	V	43.9	Very low	41.5	Very low	48 Å²	48	106.9 Å²	106.9	29%	0.291	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.1	175.2	-173.8	0	0	0	0	110.4	I750 V752 A755	V725-I750 HydrophobicContact CB-CG1 4.37Å; V725-I750 PolarHBondContact N-O 2.98Å; V725-I750 PolarHBondContact O-N 3.18Å; V725-V752 HydrophobicContact CG2-CG2 3.71Å; V725-A755 HydrophobicContact CB-CB 3.97Å; V725-A755 HydrophobicContact CG2-CB 3.7Å
726	V	43.5	Very low	41	Very low	27 Å²	27	102.6 Å²	102.6	16%	0.164	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139	172	-177.7	0	0	0	0	109.4	Y704 V708 I749	Y704-V726 HydrophobicContact CE2-CG1 3.65Å; V708-V726 HydrophobicContact CG2-CG2 4.32Å; V726-I749 HydrophobicContact CG1-CG1 4.33Å; V726-I749 HydrophobicContact CG2-CD1 4.34Å; V726-I749 HydrophobicContact CG2-CG1 4.16Å; V726-I749 HydrophobicContact CG2-CG2 4.27Å
727	V	46.6	Very low	41.1	Very low	34 Å²	34	107.4 Å²	107.4	21%	0.206	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.6	175.3	-177.7	0	0	0	0	109.8	L732 E748 I750	V727-L732 HydrophobicContact CG1-CG 4.41Å; V727-E748 PolarHBondContact N-O 3.48Å; V727-I750 HydrophobicContact CG2-CD1 4.1Å
728	E	39.3	Very low	41	Very low	122 Å²	122	104.9 Å²	104.9	57%	0.57	52%	0.52	S	S	*	.			trans	-87.5	162.5	178.3	-66	-159	146.8	0	0	112.7	Y704 E730 E731	Y704-E728 WeakPolarHBondContact OH-CG 3.42Å; Y704-E728 PolarHBondContact OH-OE1 3.23Å; E728-E730 VanDerWaalsContact C-N 3.35Å; E728-E730 PolarHBondContact O-N 3.26Å; E728-E731 PolarHBondContact O-N 3.16Å
729	K	42.5	Very low	40.6	Very low	119 Å²	119	106.8 Å²	106.8	52%	0.517	52%	0.522	S	S	.	.	H	α-helix	trans	-65.7	-32.4	-163.7	168.2	174.4	153.1	-78.6	0	114	L732	K729-L732 PolarHBondContact O-N 3.31Å
730	E	38.8	Very low	40.3	Very low	116 Å²	116	110.4 Å²	110.4	54%	0.542	55%	0.545	S	S	.	.	H	α-helix	trans	-75.7	-24.4	-174	-82.2	50.7	-128.8	0	0	113.3	E728	E728-E730 VanDerWaalsContact C-N 3.35Å; E728-E730 PolarHBondContact O-N 3.26Å
731	E	42.1	Very low	40	Very low	118 Å²	118	109.1 Å²	109.1	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-72.7	-32.4	174.2	-64.9	-168.6	150.5	0	0	112.6	E728 N733 M734	E728-E731 PolarHBondContact O-N 3.16Å; E731-N733 VanDerWaalsContact C-N 3.25Å; E731-N733 PolarHBondContact O-N 3.36Å; E731-M734 PolarHBondContact O-N 3.49Å
732	L	43.6	Very low	39.5	Very low	42 Å²	42	105.8 Å²	105.8	22%	0.22	54%	0.536	C	S	.	.	H	α-helix	trans	-62.6	-30.1	-177.9	-79.5	162.2	0	0	0	113.2	V727 K729 M734 I735 D736	V727-L732 HydrophobicContact CG1-CG 4.41Å; K729-L732 PolarHBondContact O-N 3.31Å; L732-M734 PolarHBondContact O-N 3.16Å; L732-I735 PolarHBondContact O-N 3.29Å; L732-I735 VanDerWaalsContact O-N 3.16Å; L732-D736 PolarHBondContact O-N 3.14Å
733	N	38.4	Very low	39.4	Very low	106 Å²	106	100.8 Å²	100.8	57%	0.567	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.6	-178	-71.1	-29.1	0	0	0	113.9	E731	E731-N733 VanDerWaalsContact C-N 3.25Å; E731-N733 PolarHBondContact O-N 3.36Å
734	M	38.5	Very low	39.3	Very low	166 Å²	166	102.7 Å²	102.7	82%	0.818	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9	176.9	-67.7	-171.1	-71.8	0	0	113.5	E731 L732	E731-M734 PolarHBondContact O-N 3.49Å; L732-M734 PolarHBondContact O-N 3.16Å
735	I	43.6	Very low	39.8	Very low	102 Å²	102	103 Å²	103	52%	0.523	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-37.7	-172.6	-54.8	179	0	0	0	111.6	L732 N737	L732-I735 PolarHBondContact O-N 3.29Å; L732-I735 VanDerWaalsContact O-N 3.16Å; I735-N737 PolarHBondContact O-N 3Å; I735-N737 VanDerWaalsContact O-N 3.12Å
736	D	35.5	Very low	40.2	Very low	84 Å²	84	102.4 Å²	102.4	45%	0.449	53%	0.526	S	S	.	.			trans	-92.2	69.8	-167.8	-154.6	-1.8	0	0	0	113.9	L732 T743	L732-D736 PolarHBondContact O-N 3.14Å; D736-T743 HydrophobicContact CB-CG2 4.27Å; D736-T743 WeakPolarHBondContact OD2-CG2 3.36Å
737	N	37.5	Very low	40.9	Very low	148 Å²	148	102 Å²	102	79%	0.791	52%	0.521	S	S	*	.	S	Bend	trans	-133.4	28.6	-179.2	-144.6	-8.7	0	0	0	113.5	I735	I735-N737 PolarHBondContact O-N 3Å; I735-N737 VanDerWaalsContact O-N 3.12Å
738	F	36.3	Very low	41.7	Very low	152 Å²	152	101.1 Å²	101.1	67%	0.667	52%	0.515	S	S	*	.	S	Bend	trans	-146.1	-0.1	177.4	-137.1	-104.9	0	0	0	117
739	F	30.5	Very low	43	Very low	183 Å²	183	95.8 Å²	95.8	80%	0.803	49%	0.49	S	S	*	.	S	Bend	trans	-137.2	41.9	175.9	-78.7	-68.6	0	0	0	115.3
740	S	33.4	Very low	43.8	Very low	113 Å²	113	90.3 Å²	90.3	79%	0.79	47%	0.467	S	S	*	.			trans	59	131.1	157	-59.9	0	0	0	0	120.4
741	E	31.1	Very low	44.6	Very low	176 Å²	176	85.4 Å²	85.4	82%	0.822	45%	0.445	S	S	*	.	S	Bend	trans	80.3	138.4	170.3	-59.4	-173.7	169.6	0	0	116.3
742	P	33.1	Very low	45	Very low	115 Å²	115	82 Å²	82	75%	0.747	43%	0.432	S	S	*	.			trans	-69.7	149.2	-160.5	26	-35.4	0	0	0	114.6	T744	P742-T744 PolarHBondContact O-N 3.49Å
743	T	40.5	Very low	45.3	Very low	66 Å²	66	86.1 Å²	86.1	41%	0.405	45%	0.45	S	S	.	.			trans	-59.4	95.1	-173.9	42.4	0	0	0	0	113.1	D736 K745	D736-T743 HydrophobicContact CB-CG2 4.27Å; D736-T743 WeakPolarHBondContact OD2-CG2 3.36Å; T743-K745 VanDerWaalsContact C-N 3.28Å; T743-K745 PolarHBondContact O-N 3.12Å
744	T	45	Very low	45.9	Very low	54 Å²	54	81.5 Å²	81.5	33%	0.331	43%	0.425	S	S	.	.			trans	-88.5	12.1	175	41.1	0	0	0	0	113.7	N282 H286 P742	N282-T744 PolarHBondContact N-O 3.42Å; N282-T744 PolarHBondContact ND2-O 2.96Å; H286-T744 PolarHBondContact NE2-OG1 3.25Å; P742-T744 PolarHBondContact O-N 3.49Å
745	K	52.4	Low	46.6	Very low	73 Å²	73	73.9 Å²	73.9	32%	0.317	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149.9	168.6	-63.8	-179.8	-176.3	177.9	0	110.6	L280 Y281 T743 E748	L280-K745 WeakPolarHBondContact O-CA 3.49Å; Y281-K745 HydrophobicContact CD1-CG 3.98Å; Y281-K745 HydrophobicContact CE1-CD 4.45Å; Y281-K745 HydrophobicContact CE1-CG 3.85Å; T743-K745 VanDerWaalsContact C-N 3.28Å; T743-K745 PolarHBondContact O-N 3.12Å; K745-E748 WeakPolarHBondContact CE-OE2 3.47Å; K745-E748 IonicContact NZ-OE2 3.58Å; K745-E748 PolarHBondContact NZ-OE2 3.34Å
746	S	51.3	Low	46.8	Very low	35 Å²	35	76.7 Å²	76.7	25%	0.245	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-40.9	174.3	49.4	0	0	0	0	112.9	L280 M657	L280-S746 WeakPolarHBondContact CD2-OG 3.26Å; L280-S746 PolarHBondContact O-N 2.72Å; L280-S746 PolarHBondContact O-OG 2.8Å; L280-S746 VanDerWaalsContact O-OG 3.1Å; M657-S746 VanDerWaalsContact CE-OG 3.26Å; M657-S746 WeakPolarHBondContact CE-OG 3.44Å
747	W	60.1	Low	47.5	Very low	17 Å²	17	78.4 Å²	78.4	6%	0.064	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	160.1	170.9	48.6	-101.4	0	0	0	110.1	I278 L280 L659 V700 L703 Y704 F707 I749	I278-W747 HydrophobicContact CG2-CH2 4.44Å; I278-W747 HydrophobicContact CG2-CZ3 4.06Å; L280-W747 HydrophobicContact CB-CD2 4.08Å; L280-W747 HydrophobicContact CB-CE3 4.33Å; L280-W747 HydrophobicContact CB-CH2 4.41Å; L280-W747 HydrophobicContact CB-CZ2 4.16Å; L280-W747 HydrophobicContact CB-CZ3 4.49Å; L280-W747 HydrophobicContact CD2-CZ2 3.8Å; L280-W747 PolarHBondContact N-O 3.33Å; L659-W747 HydrophobicContact CD1-CH2 4.06Å; V700-W747 HydrophobicContact CG1-CZ2 4.28Å; L703-W747 HydrophobicContact CB-CZ2 4.38Å; L703-W747 HydrophobicContact CD2-CH2 3.81Å; L703-W747 HydrophobicContact CD2-CZ2 4.09Å; L703-W747 HydrophobicContact CG-CH2 3.91Å; L703-W747 HydrophobicContact CG-CZ2 4.18Å; Y704-W747 HydrophobicContact CD2-CB 4.35Å; Y704-W747 HydrophobicContact CD2-CD2 4.04Å; Y704-W747 AromaticContact CD2-CG 3.95Å; Y704-W747 HydrophobicContact CD2-CG 3.95Å; Y704-W747 HydrophobicContact CE2-CB 4.28Å; Y704-W747 HydrophobicContact CE2-CG 4.36Å; F707-W747 HydrophobicContact CE2-CH2 4.45Å; W747-I749 HydrophobicContact CE3-CD1 4.12Å; W747-I749 HydrophobicContact CE3-CG1 3.95Å; W747-I749 HydrophobicContact CZ3-CD1 3.85Å; W747-I749 HydrophobicContact CZ3-CG1 4.03Å
748	E	62.7	Low	48.3	Very low	16 Å²	16	75 Å²	75	8%	0.075	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.7	174.6	-174.2	169.9	161	0	0	110.2	I278 A279 V727 K745 I750 R758	I278-E748 WeakPolarHBondContact O-CA 3.4Å; A279-E748 HydrophobicContact CB-CB 4.26Å; A279-E748 HydrophobicContact CB-CG 3.73Å; V727-E748 PolarHBondContact N-O 3.48Å; K745-E748 WeakPolarHBondContact CE-OE2 3.47Å; K745-E748 IonicContact NZ-OE2 3.58Å; K745-E748 PolarHBondContact NZ-OE2 3.34Å; E748-I750 HydrophobicContact CG-CG2 3.88Å; E748-R758 IonicContact OE1-CZ 3.51Å; E748-R758 IonicContact OE1-NE 2.71Å; E748-R758 IonicContact OE1-NH2 3.14Å; E748-R758 PolarHBondContact OE1-NH2 2.79Å
749	I	65.3	Low	48.4	Very low	10 Å²	10	74.4 Å²	74.4	5%	0.051	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.4	178.7	-55.1	178.4	0	0	0	107.5	S277 I278 F707 V726 W747	S277-I749 CarbonylContact C-O 3.53Å; S277-I749 VanDerWaalsContact CA-O 3.29Å; S277-I749 WeakPolarHBondContact CA-O 3.43Å; I278-I749 PolarHBondContact N-O 3.03Å; I278-I749 PolarHBondContact O-N 2.71Å; F707-I749 HydrophobicContact CB-CD1 3.52Å; F707-I749 HydrophobicContact CD2-CD1 3.49Å; F707-I749 VanDerWaalsContact CD2-CD1 3.49Å; F707-I749 HydrophobicContact CE2-CD1 4.38Å; F707-I749 HydrophobicContact CG-CD1 3.72Å; V726-I749 HydrophobicContact CG1-CG1 4.33Å; V726-I749 HydrophobicContact CG2-CD1 4.34Å; V726-I749 HydrophobicContact CG2-CG1 4.16Å; V726-I749 HydrophobicContact CG2-CG2 4.27Å; W747-I749 HydrophobicContact CE3-CD1 4.12Å; W747-I749 HydrophobicContact CE3-CG1 3.95Å; W747-I749 HydrophobicContact CZ3-CD1 3.85Å; W747-I749 HydrophobicContact CZ3-CG1 4.03Å
750	I	60	Low	48.7	Very low	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.8	-167.3	57.9	179.3	0	0	0	110.2	F724 V725 V727 E748 A755	F724-I750 CarbonylContact C-O 3.59Å; F724-I750 WeakPolarHBondContact CA-O 3.42Å; V725-I750 HydrophobicContact CB-CG1 4.37Å; V725-I750 PolarHBondContact N-O 2.98Å; V725-I750 PolarHBondContact O-N 3.18Å; V727-I750 HydrophobicContact CG2-CD1 4.1Å; E748-I750 HydrophobicContact CG-CG2 3.88Å; I750-A755 HydrophobicContact CD1-CB 3.59Å; I750-A755 HydrophobicContact CG1-CB 3.92Å
751	T	55.3	Low	49	Very low	12 Å²	12	70.2 Å²	70.2	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	170.2	174	66.2	0	0	0	0	111.9	V275 V276 G723 F724 E753 E754 A755	V275-T751 WeakPolarHBondContact O-CG2 3.45Å; V276-T751 PolarHBondContact O-N 3.35Å; G723-T751 CarbonylContact O-C 3.47Å; G723-T751 VanDerWaalsContact O-C 3.25Å; G723-T751 WeakPolarHBondContact O-CA 3.36Å; G723-T751 WeakPolarHBondContact O-CB 3.38Å; F724-T751 HydrophobicContact CD1-CG2 3.96Å; F724-T751 HydrophobicContact CE1-CG2 3.41Å; F724-T751 VanDerWaalsContact CE1-CG2 3.41Å; F724-T751 HydrophobicContact CE2-CG2 4.37Å; F724-T751 HydrophobicContact CZ-CG2 3.64Å; T751-E753 WeakPolarHBondContact CB-OE2 3.33Å; T751-E753 PolarHBondContact OG1-OE2 3.4Å; T751-E754 CarbonylContact O-C 3.53Å; T751-E754 WeakPolarHBondContact O-CA 3.1Å; T751-E754 PolarHBondContact O-N 3.23Å; T751-E754 WeakPolarHBondContact OG1-CA 3.34Å; T751-E754 PolarHBondContact OG1-N 3.24Å; T751-A755 VanDerWaalsContact O-CB 3.23Å; T751-A755 WeakPolarHBondContact O-CB 3.45Å; T751-A755 PolarHBondContact O-N 3.32Å
752	V	50.1	Low	48.9	Very low	47 Å²	47	65 Å²	65	29%	0.285	34%	0.34	S	S	.	.	H	α-helix	trans	-73.7	-32	173.1	168.8	0	0	0	0	111.2	G723 V725 E754 A755 K756	G723-V752 PolarHBondContact O-N 2.87Å; V725-V752 HydrophobicContact CG2-CG2 3.71Å; V752-E754 VanDerWaalsContact C-N 3.29Å; V752-A755 PolarHBondContact O-N 2.78Å; V752-K756 WeakPolarHBondContact O-CA 3.18Å; V752-K756 WeakPolarHBondContact O-CB 3.39Å; V752-K756 PolarHBondContact O-N 2.9Å
753	E	51.8	Low	48.7	Very low	128 Å²	128	63 Å²	63	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-67.3	-39.5	165.8	-42.7	81.4	175.9	0	0	109.6	T751 A755 K756 R757	T751-E753 WeakPolarHBondContact CB-OE2 3.33Å; T751-E753 PolarHBondContact OG1-OE2 3.4Å; E753-A755 VanDerWaalsContact C-N 3.31Å; E753-A755 PolarHBondContact O-N 2.95Å; E753-K756 PolarHBondContact O-N 2.64Å; E753-R757 WeakPolarHBondContact O-CB 3.36Å; E753-R757 PolarHBondContact O-N 3.49Å
754	E	51	Low	48.2	Very low	10 Å²	10	69.9 Å²	69.9	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-53.2	-43.7	172.8	132.9	164.7	-118.5	0	0	113.9	V276 Q688 T751 V752 R757 R758	V276-E754 HydrophobicContact CG1-CB 4.46Å; V276-E754 HydrophobicContact CG1-CG 3.44Å; V276-E754 VanDerWaalsContact CG1-CG 3.44Å; V276-E754 WeakPolarHBondContact CG1-OE2 3.25Å; Q688-E754 PolarHBondContact NE2-OE2 2.8Å; T751-E754 CarbonylContact O-C 3.53Å; T751-E754 WeakPolarHBondContact O-CA 3.1Å; T751-E754 PolarHBondContact O-N 3.23Å; T751-E754 WeakPolarHBondContact OG1-CA 3.34Å; T751-E754 PolarHBondContact OG1-N 3.24Å; V752-E754 VanDerWaalsContact C-N 3.29Å; E754-R757 HydrophobicContact CB-CB 4.22Å; E754-R757 VanDerWaalsContact CD-CZ 3.47Å; E754-R757 IonicContact OE1-CZ 2.68Å; E754-R757 IonicContact OE1-NH1 2.68Å; E754-R757 PolarHBondContact OE1-NH1 2.7Å; E754-R757 IonicContact OE1-NH2 2.69Å; E754-R757 IonicContact OE2-CZ 3.83Å; E754-R757 VanDerWaalsContact OE2-CZ 3.28Å; E754-R757 IonicContact OE2-NE 2.72Å; E754-R757 PolarHBondContact OE2-NE 3.1Å; E754-R757 IonicContact OE2-NH1 3.64Å; E754-R757 PolarHBondContact OE2-NH1 2.97Å; E754-R758 VanDerWaalsContact CG-NH1 3.28Å; E754-R758 WeakPolarHBondContact O-CG 3.45Å; E754-R758 PolarHBondContact O-N 2.92Å; E754-R758 VanDerWaalsContact O-N 3.17Å; E754-R758 PolarHBondContact O-NH1 3.16Å; E754-R758 IonicContact OE1-CZ 2.66Å; E754-R758 IonicContact OE1-NH1 3.13Å; E754-R758 PolarHBondContact OE1-NH1 3.05Å; E754-R758 IonicContact OE1-NH2 2.89Å; E754-R758 PolarHBondContact OE1-NH2 2.63Å
755	A	51.9	Low	47.9	Very low	5 Å²	5	74.4 Å²	74.4	4%	0.041	36%	0.361	C	S	.	.	H	α-helix	trans	-80.5	-44.4	178.7	0	0	0	0	0	111.2	V725 I750 T751 V752 E753 R757 R758 K759	V725-A755 HydrophobicContact CB-CB 3.97Å; V725-A755 HydrophobicContact CG2-CB 3.7Å; I750-A755 HydrophobicContact CD1-CB 3.59Å; I750-A755 HydrophobicContact CG1-CB 3.92Å; T751-A755 VanDerWaalsContact O-CB 3.23Å; T751-A755 WeakPolarHBondContact O-CB 3.45Å; T751-A755 PolarHBondContact O-N 3.32Å; V752-A755 PolarHBondContact O-N 2.78Å; E753-A755 VanDerWaalsContact C-N 3.31Å; E753-A755 PolarHBondContact O-N 2.95Å; A755-R757 PolarHBondContact O-N 3.42Å; A755-R758 CarbonylContact O-C 3.6Å; A755-R758 PolarHBondContact O-N 3.11Å; A755-K759 VanDerWaalsContact O-CB 3.32Å; A755-K759 WeakPolarHBondContact O-CB 3.43Å; A755-K759 WeakPolarHBondContact O-CG 3.41Å; A755-K759 PolarHBondContact O-N 3.26Å
756	K	47.8	Very low	47.4	Very low	162 Å²	162	79 Å²	79	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-60.7	-34	173.9	-169.8	170.2	-176.9	177	0	110.5	V752 E753 S760	V752-K756 WeakPolarHBondContact O-CA 3.18Å; V752-K756 WeakPolarHBondContact O-CB 3.39Å; V752-K756 PolarHBondContact O-N 2.9Å; E753-K756 PolarHBondContact O-N 2.64Å; K756-S760 VanDerWaalsContact O-CB 3.25Å; K756-S760 WeakPolarHBondContact O-CB 3.29Å; K756-S760 PolarHBondContact O-N 3.43Å; K756-S760 PolarHBondContact O-OG 2.82Å
757	R	50.9	Low	46.9	Very low	119 Å²	119	84 Å²	84	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-81.1	-12.1	173.6	-160.8	-173.1	64.1	37.8	152.9	114.7	E753 E754 A755 S760	E753-R757 WeakPolarHBondContact O-CB 3.36Å; E753-R757 PolarHBondContact O-N 3.49Å; E754-R757 HydrophobicContact CB-CB 4.22Å; E754-R757 VanDerWaalsContact CD-CZ 3.47Å; E754-R757 IonicContact OE1-CZ 2.68Å; E754-R757 IonicContact OE1-NH1 2.68Å; E754-R757 PolarHBondContact OE1-NH1 2.7Å; E754-R757 IonicContact OE1-NH2 2.69Å; E754-R757 IonicContact OE2-CZ 3.83Å; E754-R757 VanDerWaalsContact OE2-CZ 3.28Å; E754-R757 IonicContact OE2-NE 2.72Å; E754-R757 PolarHBondContact OE2-NE 3.1Å; E754-R757 IonicContact OE2-NH1 3.64Å; E754-R757 PolarHBondContact OE2-NH1 2.97Å; A755-R757 PolarHBondContact O-N 3.42Å; R757-S760 WeakPolarHBondContact CA-OG 3.35Å; R757-S760 PolarHBondContact O-OG 2.67Å
758	R	54.2	Low	46.2	Very low	77 Å²	77	92 Å²	92	29%	0.291	45%	0.446	S	S	.	.	H	α-helix	trans	-94	-34.6	167.6	-80.6	-177.9	-178	67.3	-7.3	111.2	E748 E754 A755 T761 C762	E748-R758 IonicContact OE1-CZ 3.51Å; E748-R758 IonicContact OE1-NE 2.71Å; E748-R758 IonicContact OE1-NH2 3.14Å; E748-R758 PolarHBondContact OE1-NH2 2.79Å; E754-R758 VanDerWaalsContact CG-NH1 3.28Å; E754-R758 WeakPolarHBondContact O-CG 3.45Å; E754-R758 PolarHBondContact O-N 2.92Å; E754-R758 VanDerWaalsContact O-N 3.17Å; E754-R758 PolarHBondContact O-NH1 3.16Å; E754-R758 IonicContact OE1-CZ 2.66Å; E754-R758 IonicContact OE1-NH1 3.13Å; E754-R758 PolarHBondContact OE1-NH1 3.05Å; E754-R758 IonicContact OE1-NH2 2.89Å; E754-R758 PolarHBondContact OE1-NH2 2.63Å; A755-R758 CarbonylContact O-C 3.6Å; A755-R758 PolarHBondContact O-N 3.11Å; R758-T761 WeakPolarHBondContact O-CB 2.97Å; R758-T761 PolarHBondContact O-N 2.9Å; R758-T761 VanDerWaalsContact O-N 3.13Å; R758-C762 PolarHBondContact O-N 3.14Å
759	K	38.1	Very low	45	Very low	139 Å²	139	99.2 Å²	99.2	60%	0.604	49%	0.485	S	S	*	.	H	α-helix	trans	-70	-31.4	170.8	-68.8	-173.7	176.4	-163.5	0	111.8	A755 T761 C762	A755-K759 VanDerWaalsContact O-CB 3.32Å; A755-K759 WeakPolarHBondContact O-CB 3.43Å; A755-K759 WeakPolarHBondContact O-CG 3.41Å; A755-K759 PolarHBondContact O-N 3.26Å; K759-T761 PolarHBondContact O-N 3.23Å; K759-C762 CarbonylContact O-C 3.57Å; K759-C762 PolarHBondContact O-N 3.28Å
760	S	37.4	Very low	43.8	Very low	87 Å²	87	107.2 Å²	107.2	61%	0.608	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	28.5	162.7	80.1	0	0	0	0	113.3	K756 R757	K756-S760 VanDerWaalsContact O-CB 3.25Å; K756-S760 WeakPolarHBondContact O-CB 3.29Å; K756-S760 PolarHBondContact O-N 3.43Å; K756-S760 PolarHBondContact O-OG 2.82Å; R757-S760 WeakPolarHBondContact CA-OG 3.35Å; R757-S760 PolarHBondContact O-OG 2.67Å
761	T	38.9	Very low	43.1	Very low	122 Å²	122	114.4 Å²	114.4	75%	0.748	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.4	0.7	168.5	-50.6	0	0	0	0	110.4	R758 K759	R758-T761 WeakPolarHBondContact O-CB 2.97Å; R758-T761 PolarHBondContact O-N 2.9Å; R758-T761 VanDerWaalsContact O-N 3.13Å; K759-T761 PolarHBondContact O-N 3.23Å
762	C	29.5	Very low	42.8	Very low	65 Å²	65	118.6 Å²	118.6	44%	0.439	58%	0.582	S	S	.	*	S	Bend	trans	-158.5	97.3	175	-170.6	0	0	0	0	108.6	R758 K759	R758-C762 PolarHBondContact O-N 3.14Å; K759-C762 CarbonylContact O-C 3.57Å; K759-C762 PolarHBondContact O-N 3.28Å
763	S	29.7	Very low	42.9	Very low	73 Å²	73	119.5 Å²	119.5	51%	0.51	58%	0.584	S	S	.	*			trans	-109.1	137.5	-165.1	40.7	0	0	0	0	113.6
764	Y	28.3	Very low	43.2	Very low	212 Å²	212	114.8 Å²	114.8	83%	0.831	57%	0.565	S	S	*	*			trans	-166.1	154.3	155.2	-153.5	-91.3	0	0	0	107.6
765	Y	39.9	Very low	43.7	Very low	148 Å²	148	117.2 Å²	117.2	58%	0.58	58%	0.58	S	S	*	*	S	Bend		-90.3	170	-107.7	-80.1	-107.6	0	0	0	108.9
766	E	42.3	Very low	44.7	Very low	169 Å²	169	118 Å²	118	79%	0.79	58%	0.584	S	S	*	*			cis	-142.3	155.2	31.9	-63.7	164.1	148.2	0	0	112.2
767	D	40.3	Very low	45.5	Very low	141 Å²	141	118.3 Å²	118.3	75%	0.754	58%	0.58	S	S	*	*			trans	38.8	131.9	146.7	-48.5	-14.3	0	0	0	120.5
768	E	44.1	Very low	46.6	Very low	184 Å²	184	116 Å²	116	86%	0.86	58%	0.58	S	S	*	*	S	Bend	cis	-135.1	124.7	14.7	-62.1	171.7	118.8	0	0	111.4
769	D	37.7	Very low	47.6	Very low	168 Å²	168	120.1 Å²	120.1	90%	0.898	60%	0.603	S	S	*	*	S	Bend	trans	176.3	121.7	150.6	-102.1	-31.4	0	0	0	106	E771	D769-E771 PolarHBondContact O-N 3.31Å
770	E	41.3	Very low	49.7	Very low	178 Å²	178	114.6 Å²	114.6	83%	0.832	58%	0.582	S	S	*	*			trans	-67.9	104	-178.9	-74.3	-168.8	155.9	0	0	111.3	V772	E770-V772 HydrophobicContact CB-CG2 4.28Å; E770-V772 PolarHBondContact O-N 3.05Å
771	E	44.9	Very low	51.7	Low	156 Å²	156	114 Å²	114	73%	0.729	58%	0.582	S	S	*	*			trans	-70.4	82.1	158	-173.6	165.7	-127	0	0	107.7	D769 L773	D769-E771 PolarHBondContact O-N 3.31Å; E771-L773 PolarHBondContact O-N 3.04Å
772	V	48.8	Very low	54	Low	101 Å²	101	108.8 Å²	108.8	61%	0.612	55%	0.55	S	S	*	.			trans	-48.5	105.8	-169.6	-179.4	0	0	0	0	111.1	E770 V775	E770-V772 HydrophobicContact CB-CG2 4.28Å; E770-V772 PolarHBondContact O-N 3.05Å; V772-V775 HydrophobicContact CG1-CG2 3.8Å
773	L	52.1	Low	56.7	Low	66 Å²	66	106.1 Å²	106.1	35%	0.346	53%	0.531	S	S	.	.			trans	-50.3	140.2	170.8	-71.2	172	0	0	0	109	E771 V775 N785 E789	E771-L773 PolarHBondContact O-N 3.04Å; L773-V775 PolarHBondContact O-N 3.05Å; L773-N785 HydrophobicContact CD1-CB 4.46Å; L773-E789 HydrophobicContact CD2-CG 3.89Å
774	P	57.6	Low	59.4	Low	29 Å²	29	108.8 Å²	108.8	19%	0.188	54%	0.535	C	S	.	.			trans	-56.5	113.3	-177.7	24.6	-34.1	0	0	0	108.9	L776 I788 A792 W804	P774-L776 PolarHBondContact O-N 2.98Å; P774-I788 HydrophobicContact CG-CG2 3.75Å; P774-A792 HydrophobicContact CG-CB 4.19Å; P774-W804 HydrophobicContact CG-CZ2 4.36Å
775	V	62.6	Low	61.9	Low	61 Å²	61	103.3 Å²	103.3	37%	0.37	52%	0.52	S	S	.	.			trans	-67.3	101.4	-158.9	-174.1	0	0	0	0	109.9	V772 L773 R777 P803 W804	V772-V775 HydrophobicContact CG1-CG2 3.8Å; L773-V775 PolarHBondContact O-N 3.05Å; V775-R777 HydrophobicContact CG1-CG 4.09Å; V775-R777 PolarHBondContact O-N 3.08Å; V775-P803 HydrophobicContact CB-CB 4.33Å; V775-P803 VanDerWaalsContact O-CB 3.25Å; V775-P803 WeakPolarHBondContact O-CB 3.23Å; V775-W804 PolarHBondContact O-N 3.11Å
776	L	72.3	Confident	64.1	Low	22 Å²	22	100.9 Å²	100.9	12%	0.115	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128	176.4	-67.1	125.1	0	0	0	109.1	P774 P778 I788 W804 W939	P774-L776 PolarHBondContact O-N 2.98Å; L776-P778 CarbonylContact C-O 3.56Å; L776-P778 WeakPolarHBondContact CB-O 3.38Å; L776-P778 CarbonylContact O-C 3.47Å; L776-I788 HydrophobicContact CD1-CB 4.5Å; L776-I788 HydrophobicContact CD1-CD1 3.32Å; L776-I788 HydrophobicContact CD1-CG1 3.82Å; L776-I788 HydrophobicContact CD1-CG2 3.9Å; L776-W804 CarbonylContact C-O 3.59Å; L776-W804 WeakPolarHBondContact CA-O 3.16Å; L776-W804 HydrophobicContact CD2-CB 3.87Å; L776-W804 HydrophobicContact CD2-CD2 4.18Å; L776-W804 HydrophobicContact CD2-CE3 3.7Å; L776-W804 HydrophobicContact CD2-CG 4.33Å; L776-W804 HydrophobicContact CG-CB 4.09Å; L776-W939 HydrophobicContact CB-CH2 4.39Å; L776-W939 HydrophobicContact CB-CZ3 4.18Å; L776-W939 HydrophobicContact CD2-CD2 4.14Å; L776-W939 HydrophobicContact CD2-CE3 3.86Å; L776-W939 HydrophobicContact CD2-CH2 3.79Å; L776-W939 HydrophobicContact CD2-CZ2 4.05Å; L776-W939 HydrophobicContact CD2-CZ3 3.67Å; L776-W939 HydrophobicContact CG-CZ3 4.49Å
777	R	65.8	Low	66.2	Low	168 Å²	168	93.8 Å²	93.8	63%	0.634	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	105.1	179.1	-66	-175.3	175.8	176.3	-0.5	109.9	V775 W804 L806	V775-R777 HydrophobicContact CG1-CG 4.09Å; V775-R777 PolarHBondContact O-N 3.08Å; R777-W804 PolarHBondContact N-O 3.08Å; R777-L806 PolarHBondContact O-N 3.27Å
778	P	72.1	Confident	68.5	Low	69 Å²	69	87.3 Å²	87.3	45%	0.448	45%	0.447	S	S	.	.	S	Bend	cis	-66.4	-175	-12.8	33.4	-38.8	0	0	0	112.8	L776 L806 W939	L776-P778 CarbonylContact C-O 3.56Å; L776-P778 WeakPolarHBondContact CB-O 3.38Å; L776-P778 CarbonylContact O-C 3.47Å; P778-L806 HydrophobicContact CG-CB 4.32Å; P778-L806 HydrophobicContact CG-CD2 3.95Å; P778-W939 WeakPolarHBondContact O-CH2 3.29Å; P778-W939 WeakPolarHBondContact O-CZ3 3.49Å
779	H	75.6	Confident	70.5	Confident	165 Å²	165	80.4 Å²	80.4	76%	0.764	42%	0.415	S	S	*	.			trans	-59	149.5	165.7	-66	89.6	0	0	0	110.7
780	S	82.6	Confident	72.9	Confident	22 Å²	22	75 Å²	75	15%	0.154	39%	0.385	C	S	.	.			trans	-73.4	144.5	173.4	177.2	0	0	0	0	111.5	L782 L783 E937 W939	S780-L782 PolarHBondContact OG-N 2.71Å; S780-L783 WeakPolarHBondContact OG-CB 3.4Å; S780-L783 PolarHBondContact OG-N 3.32Å; S780-E937 VanDerWaalsContact OG-CD 3.26Å; S780-E937 PolarHBondContact OG-OE1 3.38Å; S780-E937 PolarHBondContact OG-OE2 2.84Å; S780-W939 VanDerWaalsContact CB-CZ2 3.45Å
781	A	79.9	Confident	75.2	Confident	75 Å²	75	66.6 Å²	66.6	62%	0.62	35%	0.345	S	S	*	.	S	Bend	trans	-86.4	-14.6	169.8	0	0	0	0	0	112.6	E937	A781-E937 PolarHBondContact N-OE1 3.05Å
782	L	86.1	Confident	77.3	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.068	32%	0.32	C	S	.	.	S	Bend	trans	-114.6	-31.1	-172.6	-50.9	-176.3	0	0	0	113.7	S780 V834 K836 I842 D935 E937	S780-L782 PolarHBondContact OG-N 2.71Å; L782-V834 HydrophobicContact CB-CG1 4.15Å; L782-V834 HydrophobicContact CD1-CG1 4.18Å; L782-K836 HydrophobicContact CD1-CB 4.21Å; L782-K836 HydrophobicContact CD2-CB 4.08Å; L782-K836 HydrophobicContact CD2-CD 3.99Å; L782-I842 WeakPolarHBondContact O-CD1 3.33Å; L782-D935 HydrophobicContact CD1-CB 4Å; L782-D935 HydrophobicContact CD2-CB 3.53Å; L782-D935 HydrophobicContact CG-CB 4.34Å; L782-E937 HydrophobicContact CD1-CB 4.32Å; L782-E937 HydrophobicContact CD1-CG 3.75Å; L782-E937 HydrophobicContact CG-CG 4.03Å
783	L	86.8	Confident	79.1	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	31%	0.314	C	S	.	.			trans	-100.3	109.6	-176.5	-59.2	179.3	0	0	0	111.7	S780 H787 I788 L791 W804 V834 I842	S780-L783 WeakPolarHBondContact OG-CB 3.4Å; S780-L783 PolarHBondContact OG-N 3.32Å; L783-H787 HydrophobicContact CB-CB 4.31Å; L783-H787 HydrophobicContact CD2-CB 3.9Å; L783-I788 HydrophobicContact CB-CD1 4.28Å; L783-I788 HydrophobicContact CB-CG1 3.79Å; L783-I788 HydrophobicContact CD1-CG1 4.36Å; L783-I788 WeakPolarHBondContact O-CD1 3.5Å; L783-L791 HydrophobicContact CD1-CD1 4.18Å; L783-L791 HydrophobicContact CD2-CD1 4.03Å; L783-W804 HydrophobicContact CD1-CZ3 3.8Å; L783-V834 HydrophobicContact CD1-CG2 3.85Å; L783-V834 HydrophobicContact CD2-CG1 3.66Å; L783-V834 HydrophobicContact CD2-CG2 4.21Å; L783-V834 HydrophobicContact CG-CG1 4.03Å; L783-V834 HydrophobicContact CG-CG2 4.17Å; L783-I842 HydrophobicContact CD2-CG2 4.09Å
784	E	86.1	Confident	80.8	Confident	129 Å²	129	63.7 Å²	63.7	60%	0.603	32%	0.317	S	S	*	.			trans	-65.1	158.9	162.7	-60	177	-168.9	0	0	111.7	M786 H787 I788	E784-M786 PolarHBondContact O-N 2.76Å; E784-M786 VanDerWaalsContact O-N 3.12Å; E784-H787 WeakPolarHBondContact O-CA 3.47Å; E784-H787 WeakPolarHBondContact O-CB 3.25Å; E784-H787 PolarHBondContact O-N 2.83Å; E784-I788 PolarHBondContact O-N 3.18Å
785	N	81.8	Confident	82.4	Confident	96 Å²	96	62.8 Å²	62.8	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-51.1	-39.7	-179.1	-67.1	6.8	0	0	0	113.1	L773 H787 I788 E789	L773-N785 HydrophobicContact CD1-CB 4.46Å; N785-H787 VanDerWaalsContact C-N 3.35Å; N785-H787 PolarHBondContact O-N 3.22Å; N785-I788 WeakPolarHBondContact O-CB 3.05Å; N785-I788 PolarHBondContact O-N 2.85Å; N785-E789 WeakPolarHBondContact O-CB 3.45Å; N785-E789 PolarHBondContact O-N 3.03Å
786	M	84.9	Confident	83.6	Confident	97 Å²	97	61 Å²	61	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-41.6	175.4	-179.7	-179.4	62.8	0	0	112.5	E784 Q790	E784-M786 PolarHBondContact O-N 2.76Å; E784-M786 VanDerWaalsContact O-N 3.12Å; M786-Q790 WeakPolarHBondContact O-CB 3.33Å; M786-Q790 VanDerWaalsContact O-CG 3.23Å; M786-Q790 WeakPolarHBondContact O-CG 3.32Å; M786-Q790 PolarHBondContact O-N 3.5Å
787	H	87.8	Confident	84.3	Confident	21 Å²	21	64 Å²	64	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-68.7	-40.2	178.1	-58.3	145.6	0	0	0	111.1	L783 E784 N785 Q790 L791 F868	L783-H787 HydrophobicContact CB-CB 4.31Å; L783-H787 HydrophobicContact CD2-CB 3.9Å; E784-H787 WeakPolarHBondContact O-CA 3.47Å; E784-H787 WeakPolarHBondContact O-CB 3.25Å; E784-H787 PolarHBondContact O-N 2.83Å; N785-H787 VanDerWaalsContact C-N 3.35Å; N785-H787 PolarHBondContact O-N 3.22Å; H787-Q790 PolarHBondContact O-N 3.04Å; H787-L791 WeakPolarHBondContact O-CB 3.22Å; H787-L791 WeakPolarHBondContact O-CD1 3.11Å; H787-L791 WeakPolarHBondContact O-CG 2.97Å; H787-L791 PolarHBondContact O-N 2.98Å; H787-F868 HydrophobicContact CB-CE1 3.97Å; H787-F868 HydrophobicContact CB-CE2 4.01Å; H787-F868 HydrophobicContact CB-CZ 3.52Å; H787-F868 AromaticContact CD2-CD1 3.49Å; H787-F868 VanDerWaalsContact CD2-CD1 3.49Å; H787-F868 WeakPolarHBondContact CD2-CD1 3.44Å; H787-F868 AromaticContact CD2-CE1 3.43Å; H787-F868 VanDerWaalsContact CD2-CE1 3.43Å; H787-F868 WeakPolarHBondContact CD2-CE1 3.45Å; H787-F868 AromaticContact CD2-CG 3.93Å; H787-F868 AromaticContact CD2-CZ 3.78Å; H787-F868 AromaticContact CG-CE1 3.98Å; H787-F868 AromaticContact CG-CZ 3.85Å
788	I	87.6	Confident	85.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-51.4	175.9	-64.3	155.2	0	0	0	110.4	P774 L776 L783 E784 N785 Q790 L791 A792	P774-I788 HydrophobicContact CG-CG2 3.75Å; L776-I788 HydrophobicContact CD1-CB 4.5Å; L776-I788 HydrophobicContact CD1-CD1 3.32Å; L776-I788 HydrophobicContact CD1-CG1 3.82Å; L776-I788 HydrophobicContact CD1-CG2 3.9Å; L783-I788 HydrophobicContact CB-CD1 4.28Å; L783-I788 HydrophobicContact CB-CG1 3.79Å; L783-I788 HydrophobicContact CD1-CG1 4.36Å; L783-I788 WeakPolarHBondContact O-CD1 3.5Å; E784-I788 PolarHBondContact O-N 3.18Å; N785-I788 WeakPolarHBondContact O-CB 3.05Å; N785-I788 PolarHBondContact O-N 2.85Å; I788-Q790 PolarHBondContact O-N 3.26Å; I788-L791 PolarHBondContact O-N 3.13Å; I788-A792 VanDerWaalsContact O-CB 3.23Å; I788-A792 WeakPolarHBondContact O-CB 3.33Å; I788-A792 PolarHBondContact O-N 3.1Å
789	E	85.9	Confident	86	Confident	40 Å²	40	58.4 Å²	58.4	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-49.3	175.9	-85.6	-173	-120.8	0	0	112.6	L773 N785 L791 A792 R793	L773-E789 HydrophobicContact CD2-CG 3.89Å; N785-E789 WeakPolarHBondContact O-CB 3.45Å; N785-E789 PolarHBondContact O-N 3.03Å; E789-L791 PolarHBondContact O-N 3.4Å; E789-A792 PolarHBondContact O-N 3.08Å; E789-R793 WeakPolarHBondContact O-CB 2.98Å; E789-R793 VanDerWaalsContact O-CG 3.29Å; E789-R793 WeakPolarHBondContact O-CG 3.34Å; E789-R793 PolarHBondContact O-N 3.33Å; E789-R793 VanDerWaalsContact O-N 3.08Å; E789-R793 IonicContact OE2-CZ 3.92Å; E789-R793 IonicContact OE2-NH1 2.67Å; E789-R793 PolarHBondContact OE2-NH1 3.26Å; E789-R793 IonicContact OE2-NH2 3.42Å; E789-R793 PolarHBondContact OE2-NH2 3.25Å
790	Q	88.3	Confident	86.5	Confident	55 Å²	55	55 Å²	55	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-38.8	-177.3	-76.1	-179.7	14.4	0	0	112	M786 H787 I788 R794 F868 F872	M786-Q790 WeakPolarHBondContact O-CB 3.33Å; M786-Q790 VanDerWaalsContact O-CG 3.23Å; M786-Q790 WeakPolarHBondContact O-CG 3.32Å; M786-Q790 PolarHBondContact O-N 3.5Å; H787-Q790 PolarHBondContact O-N 3.04Å; I788-Q790 PolarHBondContact O-N 3.26Å; Q790-R794 WeakPolarHBondContact O-CG 3.35Å; Q790-F868 HydrophobicContact CB-CE1 4.13Å; Q790-F872 HydrophobicContact CB-CD1 3.83Å; Q790-F872 HydrophobicContact CB-CE1 3.71Å; Q790-F872 HydrophobicContact CB-CG 4.29Å; Q790-F872 HydrophobicContact CB-CZ 4.1Å; Q790-F872 HydrophobicContact CG-CD1 4.28Å; Q790-F872 VanDerWaalsContact O-CE1 3.28Å; Q790-F872 WeakPolarHBondContact O-CE1 3.14Å; Q790-F872 WeakPolarHBondContact O-CZ 3.31Å; Q790-F872 VanDerWaalsContact OE1-CB 3.22Å
791	L	90.6	Very high	86.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.7	-46.6	174.5	-76.2	163.1	0	0	0	112.1	L783 H787 I788 E789 R793 R794 L795 W804 L832 Y866 F868 F872	L783-L791 HydrophobicContact CD1-CD1 4.18Å; L783-L791 HydrophobicContact CD2-CD1 4.03Å; H787-L791 WeakPolarHBondContact O-CB 3.22Å; H787-L791 WeakPolarHBondContact O-CD1 3.11Å; H787-L791 WeakPolarHBondContact O-CG 2.97Å; H787-L791 PolarHBondContact O-N 2.98Å; I788-L791 PolarHBondContact O-N 3.13Å; E789-L791 PolarHBondContact O-N 3.4Å; L791-R793 VanDerWaalsContact C-N 3.26Å; L791-R793 PolarHBondContact O-N 2.96Å; L791-R794 CarbonylContact O-C 3.49Å; L791-R794 WeakPolarHBondContact O-CA 3.46Å; L791-R794 PolarHBondContact O-N 2.84Å; L791-L795 WeakPolarHBondContact O-CG 3.41Å; L791-L795 PolarHBondContact O-N 2.86Å; L791-W804 HydrophobicContact CB-CH2 3.82Å; L791-L832 HydrophobicContact CD1-CD2 4.38Å; L791-Y866 HydrophobicContact CD1-CE2 4.2Å; L791-Y866 HydrophobicContact CD2-CD1 3.89Å; L791-Y866 HydrophobicContact CD2-CD2 3.86Å; L791-Y866 HydrophobicContact CD2-CE1 3.86Å; L791-Y866 HydrophobicContact CD2-CE2 3.86Å; L791-Y866 HydrophobicContact CD2-CG 3.88Å; L791-F868 HydrophobicContact CD1-CE2 4.02Å; L791-F868 HydrophobicContact CD1-CZ 3.81Å; L791-F868 HydrophobicContact CG-CE2 4.4Å; L791-F868 HydrophobicContact CG-CZ 3.86Å; L791-F872 HydrophobicContact CD2-CE2 4.06Å; L791-F872 HydrophobicContact CD2-CZ 4.24Å; L791-F872 HydrophobicContact CG-CE2 4.35Å; L791-F872 HydrophobicContact CG-CZ 4.47Å
792	A	88.6	Confident	86.7	Confident	23 Å²	23	59.6 Å²	59.6	19%	0.19	31%	0.307	C	S	.	.	H	α-helix	trans	-56	-39.8	179	0	0	0	0	0	112.4	P774 I788 E789 R794 Q800 W804	P774-A792 HydrophobicContact CG-CB 4.19Å; I788-A792 VanDerWaalsContact O-CB 3.23Å; I788-A792 WeakPolarHBondContact O-CB 3.33Å; I788-A792 PolarHBondContact O-N 3.1Å; E789-A792 PolarHBondContact O-N 3.08Å; A792-R794 PolarHBondContact O-N 3.43Å; A792-Q800 PolarHBondContact O-NE2 3.3Å; A792-W804 HydrophobicContact CB-CZ2 4.15Å
793	R	86.5	Confident	86.7	Confident	131 Å²	131	61.1 Å²	61.1	49%	0.494	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.3	174.4	-69.7	172.7	-177.5	132.4	7.4	114.4	E789 L791	E789-R793 WeakPolarHBondContact O-CB 2.98Å; E789-R793 VanDerWaalsContact O-CG 3.29Å; E789-R793 WeakPolarHBondContact O-CG 3.34Å; E789-R793 PolarHBondContact O-N 3.33Å; E789-R793 VanDerWaalsContact O-N 3.08Å; E789-R793 IonicContact OE2-CZ 3.92Å; E789-R793 IonicContact OE2-NH1 2.67Å; E789-R793 PolarHBondContact OE2-NH1 3.26Å; E789-R793 IonicContact OE2-NH2 3.42Å; E789-R793 PolarHBondContact OE2-NH2 3.25Å; L791-R793 VanDerWaalsContact C-N 3.26Å; L791-R793 PolarHBondContact O-N 2.96Å
794	R	88.6	Confident	86.9	Confident	109 Å²	109	60.9 Å²	60.9	41%	0.411	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-8.7	-178.2	-61.4	-58.7	-169.8	-160.3	2.7	115.3	Q790 L791 A792 F872 V874 K876	Q790-R794 WeakPolarHBondContact O-CG 3.35Å; L791-R794 CarbonylContact O-C 3.49Å; L791-R794 WeakPolarHBondContact O-CA 3.46Å; L791-R794 PolarHBondContact O-N 2.84Å; A792-R794 PolarHBondContact O-N 3.43Å; R794-F872 HydrophobicContact CB-CZ 4.44Å; R794-F872 HydrophobicContact CG-CE1 3.66Å; R794-F872 HydrophobicContact CG-CZ 3.9Å; R794-V874 HydrophobicContact CB-CG2 4.21Å; R794-V874 HydrophobicContact CG-CG2 4.12Å; R794-K876 PolarHBondContact O-NZ 3.29Å
795	L	90.6	Very high	87.1	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.052	30%	0.304	C	S	.	.	S	Bend	trans	-66	156.3	171.1	-73.5	176.1	0	0	0	112.1	L791 V799 Q800 W804 Y846 F864 F941	L791-L795 WeakPolarHBondContact O-CG 3.41Å; L791-L795 PolarHBondContact O-N 2.86Å; L795-V799 HydrophobicContact CB-CG2 3.79Å; L795-V799 HydrophobicContact CD1-CG2 4.16Å; L795-V799 HydrophobicContact CD2-CG2 4.4Å; L795-V799 HydrophobicContact CG-CG2 4.35Å; L795-Q800 HydrophobicContact CB-CG 4.4Å; L795-Q800 PolarHBondContact O-NE2 3.17Å; L795-W804 HydrophobicContact CD1-CH2 4.4Å; L795-W804 HydrophobicContact CD1-CZ2 3.6Å; L795-Y846 HydrophobicContact CD2-CD2 3.38Å; L795-Y846 HydrophobicContact CD2-CE2 3.81Å; L795-Y846 HydrophobicContact CD2-CG 4.09Å; L795-F864 HydrophobicContact CD2-CZ 4.29Å; L795-F941 HydrophobicContact CD1-CD1 4.44Å; L795-F941 HydrophobicContact CD1-CE1 3.46Å; L795-F941 VanDerWaalsContact CD1-CE1 3.46Å; L795-F941 HydrophobicContact CD1-CZ 3.65Å; L795-F941 HydrophobicContact CD2-CE1 4.5Å; L795-F941 HydrophobicContact CD2-CE2 4.48Å; L795-F941 HydrophobicContact CD2-CZ 3.84Å; L795-F941 HydrophobicContact CG-CZ 4.44Å
796	P	88.5	Confident	87.6	Confident	23 Å²	23	55.7 Å²	55.7	15%	0.149	29%	0.285	C	S	.	.			trans	-65.1	146.3	174.9	-22.8	36.1	0	0	0	112.9	R798 V799 Q800 Y846	P796-R798 HydrophobicContact CB-CG 4.37Å; P796-R798 PolarHBondContact O-N 3.29Å; P796-V799 WeakPolarHBondContact O-CG2 3.49Å; P796-V799 PolarHBondContact O-N 3.01Å; P796-Q800 PolarHBondContact O-N 3.38Å; P796-Y846 HydrophobicContact CG-CD1 4.4Å; P796-Y846 HydrophobicContact CG-CE1 3.59Å
797	A	85.9	Confident	88	Confident	84 Å²	84	51.6 Å²	51.6	69%	0.694	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.6	-177.3	0	0	0	0	0	115.3
798	R	86.3	Confident	88.4	Confident	115 Å²	115	50.6 Å²	50.6	43%	0.434	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.4	174.4	68.1	149.1	172.3	-74.5	2.5	115.1	P796 Y802 E862	P796-R798 HydrophobicContact CB-CG 4.37Å; P796-R798 PolarHBondContact O-N 3.29Å; R798-Y802 VanDerWaalsContact O-CE2 3.26Å; R798-Y802 WeakPolarHBondContact O-CE2 3.34Å; R798-E862 IonicContact CZ-OE1 3.26Å; R798-E862 IonicContact CZ-OE2 3.6Å; R798-E862 VanDerWaalsContact CZ-OE2 3.25Å; R798-E862 IonicContact NH1-OE1 2.67Å; R798-E862 PolarHBondContact NH1-OE1 2.66Å; R798-E862 IonicContact NH1-OE2 3.6Å; R798-E862 PolarHBondContact NH1-OE2 3.1Å; R798-E862 IonicContact NH2-OE1 2.7Å; R798-E862 IonicContact NH2-OE2 2.63Å; R798-E862 PolarHBondContact NH2-OE2 3.4Å
799	V	87.9	Confident	88.7	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.03	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-12	175.9	-64.9	0	0	0	0	112.7	L795 P796 G801 Y802 P830 Y846 F941	L795-V799 HydrophobicContact CB-CG2 3.79Å; L795-V799 HydrophobicContact CD1-CG2 4.16Å; L795-V799 HydrophobicContact CD2-CG2 4.4Å; L795-V799 HydrophobicContact CG-CG2 4.35Å; P796-V799 WeakPolarHBondContact O-CG2 3.49Å; P796-V799 PolarHBondContact O-N 3.01Å; V799-G801 PolarHBondContact O-N 3.01Å; V799-Y802 PolarHBondContact O-N 3.18Å; V799-P830 HydrophobicContact CG1-CG 3.48Å; V799-P830 VanDerWaalsContact CG1-CG 3.48Å; V799-Y846 HydrophobicContact CG2-CE2 4.33Å; V799-F941 HydrophobicContact CB-CB 3.94Å; V799-F941 HydrophobicContact CB-CD1 4.05Å; V799-F941 HydrophobicContact CB-CD2 4.17Å; V799-F941 HydrophobicContact CB-CG 3.8Å; V799-F941 HydrophobicContact CG1-CB 3.78Å; V799-F941 HydrophobicContact CG1-CD2 3.9Å; V799-F941 HydrophobicContact CG1-CG 3.85Å
800	Q	85.1	Confident	89.1	Confident	95 Å²	95	49.3 Å²	49.3	44%	0.444	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	127.2	173	-71.2	-179.2	-37.8	0	0	110.1	A792 L795 P796	A792-Q800 PolarHBondContact O-NE2 3.3Å; L795-Q800 HydrophobicContact CB-CG 4.4Å; L795-Q800 PolarHBondContact O-NE2 3.17Å; P796-Q800 PolarHBondContact O-N 3.38Å
801	G	80.3	Confident	89.3	Confident	81 Å²	81	52.9 Å²	52.9	84%	0.835	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-10.1	-176.2	0	0	0	0	0	115.3	V799	V799-G801 PolarHBondContact O-N 3.01Å
802	Y	86.2	Confident	89.3	Confident	112 Å²	112	58.7 Å²	58.7	44%	0.439	30%	0.304	S	S	.	.	S	Bend	trans	-79.3	143.8	167.6	-73.1	-92.6	0	0	0	110.5	R798 V799 E942	R798-Y802 VanDerWaalsContact O-CE2 3.26Å; R798-Y802 WeakPolarHBondContact O-CE2 3.34Å; V799-Y802 PolarHBondContact O-N 3.18Å; Y802-E942 WeakPolarHBondContact CD1-OXT 3.36Å
803	P	86.9	Confident	89.5	Confident	44 Å²	44	59.7 Å²	59.7	29%	0.286	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-67.4	154	171	32	-34.3	0	0	0	109.9	V775 E942	V775-P803 HydrophobicContact CB-CB 4.33Å; V775-P803 VanDerWaalsContact O-CB 3.25Å; V775-P803 WeakPolarHBondContact O-CB 3.23Å; P803-E942 WeakPolarHBondContact CD-O 3.4Å; P803-E942 VanDerWaalsContact CG-O 3.27Å; P803-E942 WeakPolarHBondContact CG-O 3.37Å
804	W	90.9	Very high	89.9	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.7	-179.3	-64.8	22.4	0	0	0	108.3	P774 V775 L776 R777 L783 L791 A792 L795 L832 W939 F941	P774-W804 HydrophobicContact CG-CZ2 4.36Å; V775-W804 PolarHBondContact O-N 3.11Å; L776-W804 CarbonylContact C-O 3.59Å; L776-W804 WeakPolarHBondContact CA-O 3.16Å; L776-W804 HydrophobicContact CD2-CB 3.87Å; L776-W804 HydrophobicContact CD2-CD2 4.18Å; L776-W804 HydrophobicContact CD2-CE3 3.7Å; L776-W804 HydrophobicContact CD2-CG 4.33Å; L776-W804 HydrophobicContact CG-CB 4.09Å; R777-W804 PolarHBondContact N-O 3.08Å; L783-W804 HydrophobicContact CD1-CZ3 3.8Å; L791-W804 HydrophobicContact CB-CH2 3.82Å; A792-W804 HydrophobicContact CB-CZ2 4.15Å; L795-W804 HydrophobicContact CD1-CH2 4.4Å; L795-W804 HydrophobicContact CD1-CZ2 3.6Å; W804-L832 HydrophobicContact CE3-CD2 4.09Å; W804-L832 HydrophobicContact CH2-CD2 3.71Å; W804-L832 HydrophobicContact CZ3-CD2 3.42Å; W804-L832 VanDerWaalsContact CZ3-CD2 3.42Å; W804-W939 HydrophobicContact CB-CD2 4.47Å; W804-W939 HydrophobicContact CB-CE3 3.79Å; W804-W939 HydrophobicContact CB-CZ3 4.45Å; W804-W939 HydrophobicContact CE3-CB 4.41Å; W804-W939 HydrophobicContact CE3-CD2 4.47Å; W804-W939 HydrophobicContact CE3-CG 4.27Å; W804-F941 AromaticContact CD1-CD1 3.77Å; W804-F941 AromaticContact CD1-CE1 3.71Å; W804-F941 AromaticContact CD2-CE1 3.95Å; W804-F941 HydrophobicContact CD2-CE1 3.95Å; W804-F941 AromaticContact CE2-CE1 3.74Å; W804-F941 HydrophobicContact CG-CD1 4.28Å; W804-F941 HydrophobicContact CG-CE1 4Å; W804-F941 HydrophobicContact CZ2-CE1 4.36Å; W804-F941 AromaticContact NE1-CD1 3.95Å; W804-F941 AromaticContact NE1-CE1 3.55Å
805	R	91.1	Very high	90.1	Very high	94 Å²	94	53.2 Å²	53.2	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129	177.4	-171.9	-179.8	69.4	-139.5	-0.3	110.3	A807 W939 A940 E942	R805-A807 PolarHBondContact O-N 2.99Å; R805-W939 VanDerWaalsContact C-CE3 3.48Å; R805-W939 WeakPolarHBondContact O-CA 3.34Å; R805-A940 PolarHBondContact N-O 3.02Å; R805-A940 PolarHBondContact O-N 3.46Å; R805-E942 IonicContact CZ-OE1 3.63Å; R805-E942 IonicContact CZ-OE2 3.36Å; R805-E942 VanDerWaalsContact CZ-OE2 3.29Å; R805-E942 VanDerWaalsContact NH1-CD 3.32Å; R805-E942 IonicContact NH1-OE1 3.77Å; R805-E942 IonicContact NH1-OE2 2.76Å; R805-E942 PolarHBondContact NH1-OE2 3.11Å; R805-E942 IonicContact NH2-OE1 2.73Å; R805-E942 PolarHBondContact NH2-OE1 3Å; R805-E942 IonicContact NH2-OE2 2.67Å; R805-E942 PolarHBondContact NH2-OE2 3.05Å
806	L	92.4	Very high	90.3	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.12	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	117.9	172.2	-169.8	63.2	0	0	0	109	R777 P778 Y808 E937 W939	R777-L806 PolarHBondContact O-N 3.27Å; P778-L806 HydrophobicContact CG-CB 4.32Å; P778-L806 HydrophobicContact CG-CD2 3.95Å; L806-Y808 WeakPolarHBondContact CD1-O 3.38Å; L806-E937 HydrophobicContact CD1-CB 3.92Å; L806-E937 HydrophobicContact CD1-CG 4Å; L806-W939 HydrophobicContact CB-CE3 4.16Å; L806-W939 HydrophobicContact CB-CH2 3.89Å; L806-W939 HydrophobicContact CB-CZ2 4.42Å; L806-W939 HydrophobicContact CB-CZ3 3.76Å; L806-W939 HydrophobicContact CD1-CD2 4.18Å; L806-W939 HydrophobicContact CD1-CE3 4.47Å; L806-W939 HydrophobicContact CD1-CH2 4Å; L806-W939 HydrophobicContact CD1-CZ2 3.66Å; L806-W939 HydrophobicContact CD1-CZ3 4.41Å; L806-W939 HydrophobicContact CG-CH2 4.41Å
807	A	93	Very high	90.6	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-29	177.2	0	0	0	0	0	112.1	R805 L827 V938 A940	R805-A807 PolarHBondContact O-N 2.99Å; A807-L827 HydrophobicContact CB-CD1 3.77Å; A807-L827 HydrophobicContact CB-CD2 4.12Å; A807-V938 PolarHBondContact N-O 3.47Å; A807-A940 HydrophobicContact CB-CB 4.22Å
808	Y	94.5	Very high	91	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.1	175.9	-172.3	-96.6	0	0	0	110.4	L806 H813 G814 S816 T819 L820 K823 L909 L936 E937 V938	L806-Y808 WeakPolarHBondContact CD1-O 3.38Å; Y808-H813 HydrophobicContact CD2-CB 3.78Å; Y808-H813 HydrophobicContact CE2-CB 3.54Å; Y808-G814 PolarHBondContact OH-O 2.91Å; Y808-S816 PolarHBondContact OH-O 2.93Å; Y808-T819 HydrophobicContact CE2-CG2 3.92Å; Y808-L820 HydrophobicContact CD1-CB 4.35Å; Y808-L820 HydrophobicContact CD1-CD1 4.01Å; Y808-L820 HydrophobicContact CD1-CG 4.2Å; Y808-L820 HydrophobicContact CD2-CB 4.1Å; Y808-L820 HydrophobicContact CD2-CG 4.48Å; Y808-L820 HydrophobicContact CE1-CB 4.08Å; Y808-L820 HydrophobicContact CE1-CD1 4Å; Y808-L820 HydrophobicContact CE1-CG 4.32Å; Y808-L820 HydrophobicContact CE2-CB 3.83Å; Y808-L820 HydrophobicContact CG-CB 4.33Å; Y808-L820 HydrophobicContact CG-CG 4.25Å; Y808-K823 HydrophobicContact CD2-CB 4.25Å; Y808-K823 HydrophobicContact CD2-CG 4.29Å; Y808-L909 HydrophobicContact CE1-CD1 3.7Å; Y808-L909 WeakPolarHBondContact OH-CD1 3.18Å; Y808-L936 HydrophobicContact CD1-CD2 3.95Å; Y808-L936 HydrophobicContact CE1-CD2 4.16Å; Y808-E937 CarbonylContact O-C 3.59Å; Y808-E937 WeakPolarHBondContact O-CA 3.47Å; Y808-V938 HydrophobicContact CD1-CG2 4.39Å; Y808-V938 PolarHBondContact N-O 2.81Å; Y808-V938 PolarHBondContact O-N 2.87Å
809	S	95.1	Very high	91.4	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.7	170.5	166.3	0	0	0	0	108.6	L811 E812 H813 L936	S809-L811 PolarHBondContact O-N 2.97Å; S809-L811 PolarHBondContact OG-N 2.85Å; S809-E812 PolarHBondContact O-N 2.82Å; S809-H813 PolarHBondContact N-ND1 2.82Å; S809-H813 VanDerWaalsContact O-CB 3.25Å; S809-H813 WeakPolarHBondContact O-CB 3.39Å; S809-H813 PolarHBondContact O-N 2.84Å; S809-H813 PolarHBondContact O-ND1 2.9Å; S809-L936 CarbonylContact C-O 3.02Å; S809-L936 WeakPolarHBondContact CA-O 3.24Å
810	T	94.3	Very high	91.7	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-54.3	-39.8	175.2	38.4	0	0	0	0	112.7	G814 T815 D935 L936	T810-G814 CarbonylContact O-C 3.52Å; T810-G814 VanDerWaalsContact O-CA 3.28Å; T810-G814 WeakPolarHBondContact O-CA 3.37Å; T810-G814 PolarHBondContact O-N 2.81Å; T810-T815 HydrophobicContact CG2-CG2 4.13Å; T810-D935 WeakPolarHBondContact OG1-CA 3.36Å; T810-D935 PolarHBondContact OG1-OD1 2.99Å; T810-L936 HydrophobicContact CG2-CB 3.82Å; T810-L936 PolarHBondContact N-O 2.89Å; T810-L936 PolarHBondContact OG1-N 3.38Å; T810-L936 PolarHBondContact OG1-O 3.26Å
811	L	91.5	Very high	92.2	Very high	130 Å²	130	47.8 Å²	47.8	68%	0.681	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-36.7	-178	-173	64.1	0	0	0	113	S809	S809-L811 PolarHBondContact O-N 2.97Å; S809-L811 PolarHBondContact OG-N 2.85Å
812	E	91.8	Very high	92.8	Very high	122 Å²	122	52.6 Å²	52.6	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-93.5	-31.7	-178.9	-68.5	-172.7	152.2	0	0	113.8	S809	S809-E812 PolarHBondContact O-N 2.82Å
813	H	92.7	Very high	93.1	Very high	44 Å²	44	51.2 Å²	51.2	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-114.3	-0.3	-166.9	-60.5	86.4	0	0	0	113.8	Y808 S809 T819 K823	Y808-H813 HydrophobicContact CD2-CB 3.78Å; Y808-H813 HydrophobicContact CE2-CB 3.54Å; S809-H813 PolarHBondContact N-ND1 2.82Å; S809-H813 VanDerWaalsContact O-CB 3.25Å; S809-H813 WeakPolarHBondContact O-CB 3.39Å; S809-H813 PolarHBondContact O-N 2.84Å; S809-H813 PolarHBondContact O-ND1 2.9Å; H813-T819 HydrophobicContact CB-CG2 4.35Å; H813-K823 VanDerWaalsContact CD2-CE 3.43Å; H813-K823 WeakPolarHBondContact CD2-CE 3.39Å; H813-K823 PolarHBondContact CD2-NZ 3.41Å; H813-K823 WeakPolarHBondContact NE2-CE 3.49Å; H813-K823 PolarHBondContact NE2-NZ 3.41Å
814	G	93.6	Very high	93.3	Very high	37 Å²	37	49.1 Å²	49.1	38%	0.381	24%	0.241	S	C	.	.			trans	71.7	-179.7	-169.7	0	0	0	0	0	111.9	Y808 T810	Y808-G814 PolarHBondContact OH-O 2.91Å; T810-G814 CarbonylContact O-C 3.52Å; T810-G814 VanDerWaalsContact O-CA 3.28Å; T810-G814 WeakPolarHBondContact O-CA 3.37Å; T810-G814 PolarHBondContact O-N 2.81Å
815	T	94.1	Very high	93.2	Very high	67 Å²	67	53 Å²	53	41%	0.411	27%	0.274	S	S	.	.	S	Bend	trans	-100.3	5.1	-169.8	70.6	0	0	0	0	115	T810 L817 D908 L909	T810-T815 HydrophobicContact CG2-CG2 4.13Å; T815-L817 PolarHBondContact O-N 2.83Å; T815-D908 WeakPolarHBondContact CB-O 3.42Å; T815-D908 CarbonylContact O-C 3.56Å; T815-D908 PolarHBondContact OG1-O 3.1Å; T815-L909 WeakPolarHBondContact O-CB 3.33Å; T815-L909 WeakPolarHBondContact O-CD1 3.39Å; T815-L909 WeakPolarHBondContact O-CG 3.3Å; T815-L909 PolarHBondContact O-N 2.85Å
816	S	94.9	Very high	92.9	Very high	38 Å²	38	53.1 Å²	53.1	27%	0.266	29%	0.289	S	S	.	.			trans	-78.1	125.5	-177	-170.7	0	0	0	0	113.3	Y808 K818 T819 L820	Y808-S816 PolarHBondContact OH-O 2.93Å; S816-K818 PolarHBondContact O-N 3.47Å; S816-K818 VanDerWaalsContact O-N 3.13Å; S816-T819 WeakPolarHBondContact O-CA 3.42Å; S816-T819 WeakPolarHBondContact O-CB 3.08Å; S816-T819 PolarHBondContact O-N 2.89Å; S816-L820 PolarHBondContact O-N 2.97Å
817	L	94.9	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.5	-31.9	173.8	176.6	60.2	0	0	0	112.9	T815 T819 L820 Y821 L892 A907 L909	T815-L817 PolarHBondContact O-N 2.83Å; L817-T819 VanDerWaalsContact C-N 3.3Å; L817-T819 PolarHBondContact O-N 3.38Å; L817-L820 HydrophobicContact CD1-CD2 4.34Å; L817-L820 WeakPolarHBondContact O-CB 3.34Å; L817-L820 PolarHBondContact O-N 3.09Å; L817-Y821 HydrophobicContact CD1-CD1 4.49Å; L817-Y821 HydrophobicContact CD1-CD2 4.47Å; L817-Y821 HydrophobicContact CD1-CE1 3.99Å; L817-Y821 HydrophobicContact CD1-CE2 3.96Å; L817-Y821 HydrophobicContact CD2-CE2 4Å; L817-Y821 HydrophobicContact CG-CD2 4.2Å; L817-Y821 HydrophobicContact CG-CE2 3.63Å; L817-Y821 PolarHBondContact O-N 3.41Å; L817-L892 HydrophobicContact CD1-CB 3.81Å; L817-L892 HydrophobicContact CD1-CD2 4.24Å; L817-L892 HydrophobicContact CD2-CB 4.33Å; L817-A907 VanDerWaalsContact CB-O 3.26Å; L817-A907 WeakPolarHBondContact CB-O 3.41Å; L817-A907 PolarHBondContact N-O 2.83Å; L817-L909 HydrophobicContact CB-CD2 4.12Å; L817-L909 HydrophobicContact CB-CG 4.28Å; L817-L909 HydrophobicContact CD1-CD2 4.04Å
818	K	94.3	Very high	92.5	Very high	131 Å²	131	60.2 Å²	60.2	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-33.1	174.7	-68.5	172.1	-179	166.7	0	112.5	S816 R822 I889	S816-K818 PolarHBondContact O-N 3.47Å; S816-K818 VanDerWaalsContact O-N 3.13Å; K818-R822 WeakPolarHBondContact O-CB 3.29Å; K818-R822 PolarHBondContact O-N 3.35Å; K818-R822 VanDerWaalsContact O-N 3.15Å; K818-I889 VanDerWaalsContact CE-CG2 3.47Å
819	T	94.3	Very high	92.3	Very high	27 Å²	27	60.6 Å²	60.6	17%	0.166	33%	0.329	C	S	.	.	H	α-helix	trans	-72.8	-37.2	173.3	-57	0	0	0	0	110.9	Y808 H813 S816 L817 R822 K823	Y808-T819 HydrophobicContact CE2-CG2 3.92Å; H813-T819 HydrophobicContact CB-CG2 4.35Å; S816-T819 WeakPolarHBondContact O-CA 3.42Å; S816-T819 WeakPolarHBondContact O-CB 3.08Å; S816-T819 PolarHBondContact O-N 2.89Å; L817-T819 VanDerWaalsContact C-N 3.3Å; L817-T819 PolarHBondContact O-N 3.38Å; T819-R822 PolarHBondContact O-N 3.05Å; T819-K823 WeakPolarHBondContact O-CB 3.18Å; T819-K823 PolarHBondContact O-N 3.4Å
820	L	94.7	Very high	92.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-53.5	174.1	-175.2	158.4	0	0	0	110.6	Y808 S816 L817 R822 K823 S824 F851 L892 L909 L936 V938	Y808-L820 HydrophobicContact CD1-CB 4.35Å; Y808-L820 HydrophobicContact CD1-CD1 4.01Å; Y808-L820 HydrophobicContact CD1-CG 4.2Å; Y808-L820 HydrophobicContact CD2-CB 4.1Å; Y808-L820 HydrophobicContact CD2-CG 4.48Å; Y808-L820 HydrophobicContact CE1-CB 4.08Å; Y808-L820 HydrophobicContact CE1-CD1 4Å; Y808-L820 HydrophobicContact CE1-CG 4.32Å; Y808-L820 HydrophobicContact CE2-CB 3.83Å; Y808-L820 HydrophobicContact CG-CB 4.33Å; Y808-L820 HydrophobicContact CG-CG 4.25Å; S816-L820 PolarHBondContact O-N 2.97Å; L817-L820 HydrophobicContact CD1-CD2 4.34Å; L817-L820 WeakPolarHBondContact O-CB 3.34Å; L817-L820 PolarHBondContact O-N 3.09Å; L820-R822 VanDerWaalsContact C-N 3.32Å; L820-R822 PolarHBondContact O-N 2.77Å; L820-K823 PolarHBondContact O-N 3.06Å; L820-K823 VanDerWaalsContact O-N 3.09Å; L820-S824 WeakPolarHBondContact O-CB 3.3Å; L820-S824 PolarHBondContact O-N 3.08Å; L820-S824 PolarHBondContact O-OG 3.33Å; L820-F851 HydrophobicContact CD2-CB 3.59Å; L820-F851 HydrophobicContact CD2-CD2 3.93Å; L820-F851 HydrophobicContact CD2-CG 4.09Å; L820-L892 HydrophobicContact CD2-CD2 4.49Å; L820-L909 HydrophobicContact CB-CD1 4.28Å; L820-L909 HydrophobicContact CD1-CD1 3.8Å; L820-L909 HydrophobicContact CD1-CD2 4.33Å; L820-L936 HydrophobicContact CD1-CD2 4.18Å; L820-V938 HydrophobicContact CD1-CG2 4.17Å
821	Y	94.8	Very high	92.3	Very high	23 Å²	23	60.6 Å²	60.6	9%	0.09	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-42.4	175.4	-65.6	-40.3	0	0	0	112.9	L817 K823 S824 A825 F851 K852 G887 D888 S891 L892	L817-Y821 HydrophobicContact CD1-CD1 4.49Å; L817-Y821 HydrophobicContact CD1-CD2 4.47Å; L817-Y821 HydrophobicContact CD1-CE1 3.99Å; L817-Y821 HydrophobicContact CD1-CE2 3.96Å; L817-Y821 HydrophobicContact CD2-CE2 4Å; L817-Y821 HydrophobicContact CG-CD2 4.2Å; L817-Y821 HydrophobicContact CG-CE2 3.63Å; L817-Y821 PolarHBondContact O-N 3.41Å; Y821-K823 VanDerWaalsContact C-N 3.27Å; Y821-K823 PolarHBondContact O-N 3.46Å; Y821-S824 PolarHBondContact O-N 3.13Å; Y821-A825 VanDerWaalsContact O-CB 3.27Å; Y821-A825 WeakPolarHBondContact O-CB 3.33Å; Y821-A825 PolarHBondContact O-N 2.57Å; Y821-F851 HydrophobicContact CD1-CB 4.26Å; Y821-F851 HydrophobicContact CE1-CB 4.32Å; Y821-K852 VanDerWaalsContact CE1-C 3.49Å; Y821-G887 VanDerWaalsContact OH-C 3.28Å; Y821-G887 WeakPolarHBondContact OH-CA 3.47Å; Y821-D888 WeakPolarHBondContact CE2-O 3.08Å; Y821-D888 PolarHBondContact OH-N 3.28Å; Y821-D888 PolarHBondContact OH-O 2.92Å; Y821-S891 PolarHBondContact OH-O 2.97Å; Y821-L892 HydrophobicContact CE1-CD1 4.32Å
822	R	93.6	Very high	92.5	Very high	181 Å²	181	54.4 Å²	54.4	68%	0.683	30%	0.296	S	S	*	.	H	α-helix	trans	-62.6	-32.3	177.9	-177.1	177.5	62.6	-178.6	-2.9	112.9	K818 T819 L820	K818-R822 WeakPolarHBondContact O-CB 3.29Å; K818-R822 PolarHBondContact O-N 3.35Å; K818-R822 VanDerWaalsContact O-N 3.15Å; T819-R822 PolarHBondContact O-N 3.05Å; L820-R822 VanDerWaalsContact C-N 3.32Å; L820-R822 PolarHBondContact O-N 2.77Å
823	K	91.8	Very high	92.7	Very high	83 Å²	83	48.6 Å²	48.6	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-80.4	-39.7	175.8	-81.8	-86.9	176.8	149.9	0	112.2	Y808 H813 T819 L820 Y821 S826	Y808-K823 HydrophobicContact CD2-CB 4.25Å; Y808-K823 HydrophobicContact CD2-CG 4.29Å; H813-K823 VanDerWaalsContact CD2-CE 3.43Å; H813-K823 WeakPolarHBondContact CD2-CE 3.39Å; H813-K823 PolarHBondContact CD2-NZ 3.41Å; H813-K823 WeakPolarHBondContact NE2-CE 3.49Å; H813-K823 PolarHBondContact NE2-NZ 3.41Å; T819-K823 WeakPolarHBondContact O-CB 3.18Å; T819-K823 PolarHBondContact O-N 3.4Å; L820-K823 PolarHBondContact O-N 3.06Å; L820-K823 VanDerWaalsContact O-N 3.09Å; Y821-K823 VanDerWaalsContact C-N 3.27Å; Y821-K823 PolarHBondContact O-N 3.46Å; K823-S826 PolarHBondContact O-OG 3.16Å
824	S	91.2	Very high	92.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-28.2	177	-68.2	0	0	0	0	113.4	L820 Y821 S826 L827 P850 F851	L820-S824 WeakPolarHBondContact O-CB 3.3Å; L820-S824 PolarHBondContact O-N 3.08Å; L820-S824 PolarHBondContact O-OG 3.33Å; Y821-S824 PolarHBondContact O-N 3.13Å; S824-S826 PolarHBondContact O-N 3.19Å; S824-S826 VanDerWaalsContact O-N 3.16Å; S824-L827 WeakPolarHBondContact O-CB 3.38Å; S824-L827 PolarHBondContact O-N 2.98Å; S824-L827 VanDerWaalsContact O-N 3.08Å; S824-P850 VanDerWaalsContact O-CB 3.31Å; S824-P850 WeakPolarHBondContact O-CB 3.29Å; S824-F851 WeakPolarHBondContact CB-O 3.44Å
825	A	89.4	Confident	93	Very high	84 Å²	84	44.7 Å²	44.7	69%	0.694	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.9	177.9	0	0	0	0	0	115.1	Y821	Y821-A825 VanDerWaalsContact O-CB 3.27Å; Y821-A825 WeakPolarHBondContact O-CB 3.33Å; Y821-A825 PolarHBondContact O-N 2.57Å
826	S	84.6	Confident	93.1	Very high	97 Å²	97	43.6 Å²	43.6	68%	0.678	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	6.5	173.3	54.3	0	0	0	0	114.3	K823 S824	K823-S826 PolarHBondContact O-OG 3.16Å; S824-S826 PolarHBondContact O-N 3.19Å; S824-S826 VanDerWaalsContact O-N 3.16Å
827	L	88.1	Confident	93.1	Very high	20 Å²	20	41.9 Å²	41.9	11%	0.105	22%	0.218	C	C	.	.			trans	-100	149	177.9	-54.2	174.2	0	0	0	110.4	A807 S824 V831 P850 A940	A807-L827 HydrophobicContact CB-CD1 3.77Å; A807-L827 HydrophobicContact CB-CD2 4.12Å; S824-L827 WeakPolarHBondContact O-CB 3.38Å; S824-L827 PolarHBondContact O-N 2.98Å; S824-L827 VanDerWaalsContact O-N 3.08Å; L827-V831 HydrophobicContact CD1-CG1 3.63Å; L827-P850 HydrophobicContact CB-CB 4.13Å; L827-P850 HydrophobicContact CB-CG 3.73Å; L827-P850 HydrophobicContact CD1-CB 4.46Å; L827-P850 WeakPolarHBondContact O-CG 3.47Å; L827-A940 HydrophobicContact CD1-CB 4.34Å; L827-A940 HydrophobicContact CD2-CB 4.08Å
828	D	88.1	Confident	93	Very high	163 Å²	163	47.4 Å²	47.4	87%	0.872	25%	0.246	S	C	*	.			trans	-121.4	6	166.1	-160.8	35.3	0	0	0	111.8
829	S	90.3	Very high	92.9	Very high	8 Å²	8	43.9 Å²	43.9	6%	0.056	23%	0.233	C	C	.	.	S	Bend	trans	-86.5	156.7	174.4	80.8	0	0	0	0	111.8	P850 A940 F941	S829-P850 WeakPolarHBondContact O-CD 3.41Å; S829-P850 WeakPolarHBondContact O-CG 3.26Å; S829-A940 WeakPolarHBondContact OG-CB 3.2Å; S829-F941 VanDerWaalsContact CB-O 3.3Å; S829-F941 WeakPolarHBondContact CB-O 3.36Å; S829-F941 PolarHBondContact OG-N 3Å
830	P	93.8	Very high	92.7	Very high	16 Å²	16	47.2 Å²	47.2	10%	0.104	25%	0.25	C	C	.	.			trans	-57.4	161	153.9	29.6	-36.5	0	0	0	110.3	V799 Y846 A847 F941	V799-P830 HydrophobicContact CG1-CG 3.48Å; V799-P830 VanDerWaalsContact CG1-CG 3.48Å; P830-Y846 HydrophobicContact CB-CE2 3.92Å; P830-Y846 WeakPolarHBondContact CB-OH 3.39Å; P830-Y846 HydrophobicContact CG-CE2 4.35Å; P830-Y846 WeakPolarHBondContact CG-OH 3.47Å; P830-A847 WeakPolarHBondContact CA-O 3.29Å; P830-A847 WeakPolarHBondContact CB-O 3.49Å; P830-F941 HydrophobicContact CG-CD2 4.17Å; P830-F941 WeakPolarHBondContact O-CD2 3.24Å
831	V	95.4	Very high	92.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.8	-177.1	-58.5	0	0	0	0	112.4	L827 A847 P850 F851 V938 W939	L827-V831 HydrophobicContact CD1-CG1 3.63Å; V831-A847 HydrophobicContact CG2-CB 3.84Å; V831-A847 PolarHBondContact N-O 2.88Å; V831-A847 PolarHBondContact O-N 3.35Å; V831-A847 VanDerWaalsContact O-O 3.12Å; V831-P850 HydrophobicContact CG1-CB 4.47Å; V831-F851 HydrophobicContact CG2-CD2 3.98Å; V831-F851 HydrophobicContact CG2-CE2 3.67Å; V831-F851 HydrophobicContact CG2-CZ 4.07Å; V831-V938 HydrophobicContact CB-CG1 3.77Å; V831-V938 HydrophobicContact CG1-CG1 4.3Å; V831-V938 HydrophobicContact CG2-CG1 4.04Å; V831-W939 CarbonylContact C-O 3.55Å; V831-W939 WeakPolarHBondContact CA-O 3.28Å; V831-W939 WeakPolarHBondContact CB-O 3.41Å
832	L	95.9	Very high	92.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.5	176	178	72.4	0	0	0	109.2	L791 W804 V834 Y866 V938 W939 F941	L791-L832 HydrophobicContact CD1-CD2 4.38Å; W804-L832 HydrophobicContact CE3-CD2 4.09Å; W804-L832 HydrophobicContact CH2-CD2 3.71Å; W804-L832 HydrophobicContact CZ3-CD2 3.42Å; W804-L832 VanDerWaalsContact CZ3-CD2 3.42Å; L832-V834 HydrophobicContact CG-CG2 4.39Å; L832-Y866 HydrophobicContact CD1-CD1 4.47Å; L832-Y866 HydrophobicContact CD1-CE1 3.66Å; L832-V938 WeakPolarHBondContact O-CA 3.35Å; L832-W939 HydrophobicContact CB-CB 4.31Å; L832-W939 PolarHBondContact N-O 3.5Å; L832-W939 PolarHBondContact O-N 3.06Å; L832-F941 HydrophobicContact CB-CE2 4.03Å; L832-F941 HydrophobicContact CB-CZ 3.78Å; L832-F941 HydrophobicContact CD2-CZ 4.34Å
833	L	96.6	Very high	92.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.7	172.1	174	64.1	0	0	0	109.3	I835 G844 A845 F851 Y866 L894 L903 L905 L936 V938	L833-I835 HydrophobicContact CD1-CG1 4.22Å; L833-I835 HydrophobicContact CD2-CD1 4.21Å; L833-I835 HydrophobicContact CG-CD1 4.33Å; L833-I835 HydrophobicContact CG-CG1 4.19Å; L833-G844 WeakPolarHBondContact O-CA 3.45Å; L833-A845 HydrophobicContact CB-CB 4.46Å; L833-A845 WeakPolarHBondContact CB-O 3.46Å; L833-A845 PolarHBondContact N-O 2.98Å; L833-A845 PolarHBondContact O-N 2.56Å; L833-F851 HydrophobicContact CB-CE2 3.92Å; L833-F851 HydrophobicContact CB-CZ 3.81Å; L833-F851 HydrophobicContact CD2-CE2 4.49Å; L833-F851 HydrophobicContact CD2-CZ 4.08Å; L833-F851 HydrophobicContact CG-CZ 4.47Å; L833-Y866 PolarHBondContact O-OH 3.03Å; L833-L894 HydrophobicContact CD2-CD1 3.64Å; L833-L903 HydrophobicContact CD2-CD2 4.07Å; L833-L905 HydrophobicContact CD2-CD1 4.42Å; L833-L936 HydrophobicContact CD1-CD1 3.87Å; L833-L936 HydrophobicContact CD1-CD2 3.66Å; L833-L936 HydrophobicContact CD1-CG 3.62Å; L833-V938 HydrophobicContact CD1-CG2 3.99Å
834	V	96.5	Very high	92.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.5	173.1	-176.4	0	0	0	0	107.9	L782 L783 L832 I842 L936 E937	L782-V834 HydrophobicContact CB-CG1 4.15Å; L782-V834 HydrophobicContact CD1-CG1 4.18Å; L783-V834 HydrophobicContact CD1-CG2 3.85Å; L783-V834 HydrophobicContact CD2-CG1 3.66Å; L783-V834 HydrophobicContact CD2-CG2 4.21Å; L783-V834 HydrophobicContact CG-CG1 4.03Å; L783-V834 HydrophobicContact CG-CG2 4.17Å; L832-V834 HydrophobicContact CG-CG2 4.39Å; V834-I842 HydrophobicContact CG1-CG2 4.02Å; V834-L936 CarbonylContact O-C 3.56Å; V834-L936 VanDerWaalsContact O-CA 3.3Å; V834-L936 WeakPolarHBondContact O-CA 3.28Å; V834-E937 HydrophobicContact CB-CB 4.28Å; V834-E937 PolarHBondContact N-O 3.09Å; V834-E937 PolarHBondContact O-N 3.34Å
835	I	96.4	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.4	174.4	-59.9	165.3	0	0	0	107.7	L833 I842 F843 L903 L905 F931 V933 L936	L833-I835 HydrophobicContact CD1-CG1 4.22Å; L833-I835 HydrophobicContact CD2-CD1 4.21Å; L833-I835 HydrophobicContact CG-CD1 4.33Å; L833-I835 HydrophobicContact CG-CG1 4.19Å; I835-I842 WeakPolarHBondContact O-CA 3.13Å; I835-F843 HydrophobicContact CB-CD2 4.25Å; I835-F843 HydrophobicContact CB-CE2 4.02Å; I835-F843 HydrophobicContact CB-CZ 4.47Å; I835-F843 HydrophobicContact CD1-CD2 4.4Å; I835-F843 HydrophobicContact CD1-CE2 4.06Å; I835-F843 HydrophobicContact CG2-CE2 3.88Å; I835-F843 HydrophobicContact CG2-CZ 3.93Å; I835-F843 PolarHBondContact N-O 2.94Å; I835-F843 PolarHBondContact O-N 2.88Å; I835-F843 VanDerWaalsContact O-O 3.14Å; I835-L903 HydrophobicContact CD1-CD1 3.8Å; I835-L903 HydrophobicContact CD1-CD2 3.77Å; I835-L903 HydrophobicContact CD1-CG 4.26Å; I835-L905 HydrophobicContact CD1-CD1 4.06Å; I835-L905 HydrophobicContact CD1-CD2 4.16Å; I835-L905 HydrophobicContact CD1-CG 4.43Å; I835-F931 HydrophobicContact CG2-CE2 4.04Å; I835-V933 HydrophobicContact CG2-CG1 4.48Å; I835-V933 HydrophobicContact CG2-CG2 4.15Å; I835-L936 HydrophobicContact CG1-CD1 4.18Å; I835-L936 HydrophobicContact CG1-CG 4.18Å
836	K	95.3	Very high	93.5	Very high	43 Å²	43	32.4 Å²	32.4	19%	0.187	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.3	164.8	-170.6	-175.6	178.8	-152.5	0	108.6	L782 N840 Q841 I842 Q934 D935	L782-K836 HydrophobicContact CD1-CB 4.21Å; L782-K836 HydrophobicContact CD2-CB 4.08Å; L782-K836 HydrophobicContact CD2-CD 3.99Å; K836-N840 WeakPolarHBondContact CE-OD1 3.4Å; K836-N840 PolarHBondContact NZ-OD1 3.5Å; K836-Q841 WeakPolarHBondContact CA-O 3.45Å; K836-I842 HydrophobicContact CB-CG1 4.4Å; K836-I842 HydrophobicContact CG-CG1 4.12Å; K836-Q934 VanDerWaalsContact CE-OE1 3.3Å; K836-Q934 WeakPolarHBondContact O-CB 3.3Å; K836-Q934 PolarHBondContact O-N 3Å; K836-D935 PolarHBondContact N-O 3.11Å; K836-D935 PolarHBondContact O-N 3.31Å
837	D	94.8	Very high	94.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	163.7	176.1	73.3	17.1	0	0	0	112.5	D839 N840 Q841 F843 F931 I932	D837-D839 PolarHBondContact O-N 2.84Å; D837-D839 VanDerWaalsContact O-N 3.13Å; D837-D839 WeakPolarHBondContact OD1-CA 3.29Å; D837-D839 WeakPolarHBondContact OD1-CB 3.44Å; D837-D839 PolarHBondContact OD1-N 3Å; D837-N840 WeakPolarHBondContact O-CA 3.39Å; D837-N840 PolarHBondContact O-N 2.81Å; D837-N840 PolarHBondContact OD1-N 2.77Å; D837-Q841 PolarHBondContact N-O 2.86Å; D837-Q841 PolarHBondContact OD1-N 2.82Å; D837-F843 HydrophobicContact CB-CE1 3.96Å; D837-F843 HydrophobicContact CB-CZ 4.23Å; D837-F931 HydrophobicContact CB-CB 4.26Å; D837-F931 HydrophobicContact CB-CD2 4.33Å; D837-I932 CarbonylContact C-O 2.94Å; D837-I932 VanDerWaalsContact CA-O 3.31Å; D837-I932 WeakPolarHBondContact CA-O 3.44Å; D837-I932 WeakPolarHBondContact CB-O 3.49Å
838	M	93.9	Very high	94.3	Very high	116 Å²	116	27.3 Å²	27.3	57%	0.571	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.5	173.1	-74	-64.9	-65	0	0	113.7	N840 I932 Q934	M838-N840 VanDerWaalsContact C-N 3.28Å; M838-I932 HydrophobicContact CB-CB 4.35Å; M838-I932 HydrophobicContact CG-CB 3.98Å; M838-I932 HydrophobicContact CG-CG2 3.72Å; M838-I932 PolarHBondContact N-O 2.89Å; M838-Q934 HydrophobicContact CG-CB 4.26Å; M838-Q934 HydrophobicContact SD-CB 3.72Å; M838-Q934 HydrophobicContact SD-CG 4.06Å
839	D	91.9	Very high	94.6	Very high	56 Å²	56	23.3 Å²	23.3	30%	0.299	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.7	172.7	-118.8	-54.9	0	0	0	110.8	D837 Q841 K927 K928	D837-D839 PolarHBondContact O-N 2.84Å; D837-D839 VanDerWaalsContact O-N 3.13Å; D837-D839 WeakPolarHBondContact OD1-CA 3.29Å; D837-D839 WeakPolarHBondContact OD1-CB 3.44Å; D837-D839 PolarHBondContact OD1-N 3Å; D839-Q841 VanDerWaalsContact C-N 3.27Å; D839-Q841 PolarHBondContact O-N 2.91Å; D839-K927 HydrophobicContact CB-CD 3.79Å; D839-K927 PolarHBondContact O-NZ 2.83Å; D839-K927 WeakPolarHBondContact OD1-CD 3.35Å; D839-K927 IonicContact OD1-NZ 2.75Å; D839-K927 PolarHBondContact OD1-NZ 3.47Å; D839-K928 IonicContact OD2-NZ 2.73Å; D839-K928 PolarHBondContact OD2-NZ 2.83Å
840	N	90.6	Very high	94.7	Very high	98 Å²	98	24 Å²	24	52%	0.524	12%	0.122	S	C	.	.	S	Bend	trans	62.9	12.4	-175.9	-82.1	-37.6	0	0	0	116.3	K836 D837 M838	K836-N840 WeakPolarHBondContact CE-OD1 3.4Å; K836-N840 PolarHBondContact NZ-OD1 3.5Å; D837-N840 WeakPolarHBondContact O-CA 3.39Å; D837-N840 PolarHBondContact O-N 2.81Å; D837-N840 PolarHBondContact OD1-N 2.77Å; M838-N840 VanDerWaalsContact C-N 3.28Å
841	Q	92.1	Very high	94.8	Very high	45 Å²	45	23.2 Å²	23.2	21%	0.21	12%	0.117	C	C	.	.			trans	-81.8	140.6	176.5	-50.4	-58.3	79.7	0	0	111	K836 D837 D839 F843 S869 K927	K836-Q841 WeakPolarHBondContact CA-O 3.45Å; D837-Q841 PolarHBondContact N-O 2.86Å; D837-Q841 PolarHBondContact OD1-N 2.82Å; D839-Q841 VanDerWaalsContact C-N 3.27Å; D839-Q841 PolarHBondContact O-N 2.91Å; Q841-F843 HydrophobicContact CB-CD1 4.33Å; Q841-F843 HydrophobicContact CB-CE1 4.46Å; Q841-S869 PolarHBondContact NE2-OG 3.38Å; Q841-K927 VanDerWaalsContact CD-CE 3.48Å; Q841-K927 HydrophobicContact CG-CD 3.88Å; Q841-K927 HydrophobicContact CG-CG 3.96Å
842	I	94.6	Very high	94.7	Very high	16 Å²	16	28 Å²	28	8%	0.082	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.7	175.3	-59.8	160.8	0	0	0	109.4	L782 L783 V834 I835 K836 F868	L782-I842 WeakPolarHBondContact O-CD1 3.33Å; L783-I842 HydrophobicContact CD2-CG2 4.09Å; V834-I842 HydrophobicContact CG1-CG2 4.02Å; I835-I842 WeakPolarHBondContact O-CA 3.13Å; K836-I842 HydrophobicContact CB-CG1 4.4Å; K836-I842 HydrophobicContact CG-CG1 4.12Å; I842-F868 HydrophobicContact CB-CD2 3.87Å; I842-F868 HydrophobicContact CG2-CD2 3.71Å; I842-F868 HydrophobicContact CG2-CE2 3.91Å; I842-F868 WeakPolarHBondContact O-CD2 3.37Å; I842-F868 PolarHBondContact O-N 2.87Å
843	F	96.2	Very high	94.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-178.3	176.9	53	-91.7	0	0	0	110	I835 D837 Q841 Y866 L903 L925 F931	I835-F843 HydrophobicContact CB-CD2 4.25Å; I835-F843 HydrophobicContact CB-CE2 4.02Å; I835-F843 HydrophobicContact CB-CZ 4.47Å; I835-F843 HydrophobicContact CD1-CD2 4.4Å; I835-F843 HydrophobicContact CD1-CE2 4.06Å; I835-F843 HydrophobicContact CG2-CE2 3.88Å; I835-F843 HydrophobicContact CG2-CZ 3.93Å; I835-F843 PolarHBondContact N-O 2.94Å; I835-F843 PolarHBondContact O-N 2.88Å; I835-F843 VanDerWaalsContact O-O 3.14Å; D837-F843 HydrophobicContact CB-CE1 3.96Å; D837-F843 HydrophobicContact CB-CZ 4.23Å; Q841-F843 HydrophobicContact CB-CD1 4.33Å; Q841-F843 HydrophobicContact CB-CE1 4.46Å; F843-Y866 WeakPolarHBondContact CA-O 3.45Å; F843-Y866 VanDerWaalsContact CB-O 3.31Å; F843-Y866 WeakPolarHBondContact CB-O 3.26Å; F843-L903 HydrophobicContact CD2-CD1 4.43Å; F843-L903 HydrophobicContact CE2-CD1 4.07Å; F843-L925 HydrophobicContact CB-CB 3.96Å; F843-L925 HydrophobicContact CD2-CB 3.92Å; F843-L925 HydrophobicContact CD2-CD1 4.25Å; F843-L925 HydrophobicContact CG-CB 3.95Å; F843-F931 HydrophobicContact CE2-CD1 4.31Å; F843-F931 HydrophobicContact CE2-CD2 4.43Å; F843-F931 AromaticContact CE2-CE1 3.77Å; F843-F931 HydrophobicContact CE2-CE1 3.77Å; F843-F931 AromaticContact CE2-CE2 3.92Å; F843-F931 HydrophobicContact CE2-CE2 3.92Å; F843-F931 AromaticContact CE2-CZ 3.57Å; F843-F931 HydrophobicContact CE2-CZ 3.57Å; F843-F931 AromaticContact CZ-CD1 3.92Å; F843-F931 HydrophobicContact CZ-CD1 3.92Å; F843-F931 AromaticContact CZ-CD2 3.79Å; F843-F931 HydrophobicContact CZ-CD2 3.79Å; F843-F931 AromaticContact CZ-CE1 3.85Å; F843-F931 HydrophobicContact CZ-CE1 3.85Å; F843-F931 AromaticContact CZ-CE2 3.73Å; F843-F931 HydrophobicContact CZ-CE2 3.73Å; F843-F931 AromaticContact CZ-CG 3.9Å; F843-F931 HydrophobicContact CZ-CG 3.9Å; F843-F931 AromaticContact CZ-CZ 3.77Å; F843-F931 HydrophobicContact CZ-CZ 3.77Å
844	G	96.2	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-151.8	176.9	0	0	0	0	0	114.4	L833 L865 Y866	L833-G844 WeakPolarHBondContact O-CA 3.45Å; G844-L865 WeakPolarHBondContact O-CA 3.23Å; G844-Y866 VanDerWaalsContact C-CE1 3.41Å; G844-Y866 PolarHBondContact N-O 3.12Å; G844-Y866 PolarHBondContact O-N 3.3Å
845	A	96.8	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136	-174.1	0	0	0	0	0	112.3	L833 F864 L865 L894 L903	L833-A845 HydrophobicContact CB-CB 4.46Å; L833-A845 WeakPolarHBondContact CB-O 3.46Å; L833-A845 PolarHBondContact N-O 2.98Å; L833-A845 PolarHBondContact O-N 2.56Å; A845-F864 CarbonylContact C-O 3.52Å; A845-F864 VanDerWaalsContact CA-O 3.3Å; A845-F864 WeakPolarHBondContact CA-O 3.46Å; A845-L865 HydrophobicContact CB-CD2 3.67Å; A845-L894 HydrophobicContact CB-CD1 3.8Å; A845-L894 HydrophobicContact CB-CD2 4.1Å; A845-L894 HydrophobicContact CB-CG 4.48Å; A845-L903 HydrophobicContact CB-CD2 4.42Å
846	Y	96.4	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117	158.5	171.3	-95.9	0	0	0	108.3	L795 P796 V799 P830 T848 E862 T863 F864 F941	L795-Y846 HydrophobicContact CD2-CD2 3.38Å; L795-Y846 HydrophobicContact CD2-CE2 3.81Å; L795-Y846 HydrophobicContact CD2-CG 4.09Å; P796-Y846 HydrophobicContact CG-CD1 4.4Å; P796-Y846 HydrophobicContact CG-CE1 3.59Å; V799-Y846 HydrophobicContact CG2-CE2 4.33Å; P830-Y846 HydrophobicContact CB-CE2 3.92Å; P830-Y846 WeakPolarHBondContact CB-OH 3.39Å; P830-Y846 HydrophobicContact CG-CE2 4.35Å; P830-Y846 WeakPolarHBondContact CG-OH 3.47Å; Y846-T848 HydrophobicContact CE1-CG2 3.92Å; Y846-E862 VanDerWaalsContact CD1-O 3.31Å; Y846-E862 WeakPolarHBondContact CD1-O 3.2Å; Y846-E862 WeakPolarHBondContact CE1-O 3.5Å; Y846-T863 CarbonylContact O-C 3.59Å; Y846-T863 VanDerWaalsContact O-CA 3.25Å; Y846-T863 WeakPolarHBondContact O-CA 3.06Å; Y846-T863 WeakPolarHBondContact O-CG2 3.42Å; Y846-F864 VanDerWaalsContact CB-CZ 3.41Å; Y846-F864 AromaticContact CD1-CD1 3.63Å; Y846-F864 HydrophobicContact CD1-CD1 3.63Å; Y846-F864 AromaticContact CD1-CE1 3.49Å; Y846-F864 HydrophobicContact CD1-CE1 3.49Å; Y846-F864 VanDerWaalsContact CD1-CE1 3.49Å; Y846-F864 HydrophobicContact CD1-CZ 4.37Å; Y846-F864 HydrophobicContact CD2-CE1 4.47Å; Y846-F864 HydrophobicContact CE1-CE1 4.4Å; Y846-F864 AromaticContact CG-CD1 4Å; Y846-F864 HydrophobicContact CG-CD1 4Å; Y846-F864 AromaticContact CG-CE1 3.53Å; Y846-F864 HydrophobicContact CG-CE1 3.53Å; Y846-F864 AromaticContact CG-CZ 3.96Å; Y846-F864 HydrophobicContact CG-CZ 3.96Å; Y846-F864 PolarHBondContact N-O 3.43Å; Y846-F864 PolarHBondContact O-N 2.96Å; Y846-F941 HydrophobicContact CD2-CE2 4.09Å; Y846-F941 HydrophobicContact CD2-CZ 4.49Å; Y846-F941 HydrophobicContact CE2-CD2 4.47Å; Y846-F941 AromaticContact CE2-CE2 3.81Å; Y846-F941 HydrophobicContact CE2-CE2 3.81Å; Y846-F941 HydrophobicContact CE2-CZ 4.45Å
847	A	95.4	Very high	93.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.8	178.5	0	0	0	0	0	110.5	P830 V831 H849 F851 I885	P830-A847 WeakPolarHBondContact CA-O 3.29Å; P830-A847 WeakPolarHBondContact CB-O 3.49Å; V831-A847 HydrophobicContact CG2-CB 3.84Å; V831-A847 PolarHBondContact N-O 2.88Å; V831-A847 PolarHBondContact O-N 3.35Å; V831-A847 VanDerWaalsContact O-O 3.12Å; A847-H849 PolarHBondContact O-N 2.85Å; A847-F851 HydrophobicContact CB-CE1 3.72Å; A847-F851 HydrophobicContact CB-CZ 3.76Å; A847-I885 HydrophobicContact CB-CD1 3.69Å
848	T	93.9	Very high	93.4	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	24%	0.241	C	C	.	.	S	Bend	trans	-73.8	-13	-176.2	44.7	0	0	0	0	114.9	Y846 G859 T860 E862 T863	Y846-T848 HydrophobicContact CE1-CG2 3.92Å; T848-G859 WeakPolarHBondContact OG1-CA 3.42Å; T848-T860 WeakPolarHBondContact CG2-OG1 3.44Å; T848-T860 PolarHBondContact OG1-N 3.02Å; T848-E862 VanDerWaalsContact CG2-C 3.49Å; T848-E862 HydrophobicContact CG2-CB 3.6Å; T848-T863 WeakPolarHBondContact CG2-OG1 3.48Å; T848-T863 PolarHBondContact N-OG1 2.88Å; T848-T863 PolarHBondContact OG1-OG1 3.02Å
849	H	92.8	Very high	93.3	Very high	78 Å²	78	45.2 Å²	45.2	36%	0.361	23%	0.225	S	C	.	.	S	Bend	trans	-136.2	154.4	176.5	-67.1	69.7	0	0	0	108.2	A847 Y858	A847-H849 PolarHBondContact O-N 2.85Å; H849-Y858 HydrophobicContact CB-CD2 4.22Å; H849-Y858 HydrophobicContact CB-CE2 4.4Å
850	P	93.9	Very high	93.3	Very high	22 Å²	22	45 Å²	45	14%	0.143	23%	0.226	C	C	.	.			trans	-57.6	150.2	170.9	-20.7	31.1	0	0	0	112.3	S824 L827 S829 V831 K852	S824-P850 VanDerWaalsContact O-CB 3.31Å; S824-P850 WeakPolarHBondContact O-CB 3.29Å; L827-P850 HydrophobicContact CB-CB 4.13Å; L827-P850 HydrophobicContact CB-CG 3.73Å; L827-P850 HydrophobicContact CD1-CB 4.46Å; L827-P850 WeakPolarHBondContact O-CG 3.47Å; S829-P850 WeakPolarHBondContact O-CD 3.41Å; S829-P850 WeakPolarHBondContact O-CG 3.26Å; V831-P850 HydrophobicContact CG1-CB 4.47Å; P850-K852 PolarHBondContact O-N 3.45Å
851	F	94.9	Very high	93.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.			trans	-68.9	127.5	176	-59.9	-59.6	0	0	0	111.3	L820 Y821 S824 V831 L833 A847 I885 L892 L894 V938	L820-F851 HydrophobicContact CD2-CB 3.59Å; L820-F851 HydrophobicContact CD2-CD2 3.93Å; L820-F851 HydrophobicContact CD2-CG 4.09Å; Y821-F851 HydrophobicContact CD1-CB 4.26Å; Y821-F851 HydrophobicContact CE1-CB 4.32Å; S824-F851 WeakPolarHBondContact CB-O 3.44Å; V831-F851 HydrophobicContact CG2-CD2 3.98Å; V831-F851 HydrophobicContact CG2-CE2 3.67Å; V831-F851 HydrophobicContact CG2-CZ 4.07Å; L833-F851 HydrophobicContact CB-CE2 3.92Å; L833-F851 HydrophobicContact CB-CZ 3.81Å; L833-F851 HydrophobicContact CD2-CE2 4.49Å; L833-F851 HydrophobicContact CD2-CZ 4.08Å; L833-F851 HydrophobicContact CG-CZ 4.47Å; A847-F851 HydrophobicContact CB-CE1 3.72Å; A847-F851 HydrophobicContact CB-CZ 3.76Å; F851-I885 HydrophobicContact CD1-CG2 4.09Å; F851-I885 HydrophobicContact CE1-CG2 4.22Å; F851-L892 HydrophobicContact CB-CD1 4.43Å; F851-L892 HydrophobicContact CD1-CD1 3.75Å; F851-L892 HydrophobicContact CD1-CD2 4.03Å; F851-L892 HydrophobicContact CD1-CG 4.45Å; F851-L892 HydrophobicContact CD2-CD2 4.4Å; F851-L892 HydrophobicContact CE1-CD1 4.36Å; F851-L892 HydrophobicContact CE1-CD2 4.29Å; F851-L892 HydrophobicContact CG-CD1 4.28Å; F851-L892 HydrophobicContact CG-CD2 4.08Å; F851-L894 HydrophobicContact CE1-CD1 4.23Å; F851-L894 HydrophobicContact CE1-CD2 4.33Å; F851-L894 HydrophobicContact CZ-CD1 4.46Å; F851-V938 HydrophobicContact CD2-CG1 4.26Å; F851-V938 HydrophobicContact CD2-CG2 4.47Å; F851-V938 HydrophobicContact CE2-CG1 4.04Å; F851-V938 HydrophobicContact CE2-CG2 4.27Å
852	K	92.9	Very high	93.4	Very high	101 Å²	101	43.2 Å²	43.2	44%	0.439	22%	0.222	S	C	.	.			trans	-142.4	157	178.2	60.2	175.7	-177.2	176.7	0	110.7	Y821 P850 Y858	Y821-K852 VanDerWaalsContact CE1-C 3.49Å; P850-K852 PolarHBondContact O-N 3.45Å; K852-Y858 HydrophobicContact CG-CE1 4.05Å; K852-Y858 HydrophobicContact CG-CE2 3.97Å; K852-Y858 PolarHBondContact N-OH 3.01Å; K852-Y858 PolarHBondContact O-OH 2.96Å
853	F	92.8	Very high	93.5	Very high	94 Å²	94	42.5 Å²	42.5	41%	0.412	22%	0.218	S	C	.	.			trans	-61	136.8	162.2	177.6	-99	0	0	0	110	G887 I889	F853-G887 CarbonylContact C-O 3.58Å; F853-G887 VanDerWaalsContact CA-O 3.3Å; F853-G887 WeakPolarHBondContact CA-O 3.28Å; F853-G887 WeakPolarHBondContact CD2-O 3.42Å; F853-I889 HydrophobicContact CD2-CG1 3.91Å; F853-I889 HydrophobicContact CE2-CD1 4.43Å; F853-I889 HydrophobicContact CE2-CG1 3.71Å
854	S	90.4	Very high	93.4	Very high	25 Å²	25	42.5 Å²	42.5	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	124.7	-178.2	-171.7	0	0	0	0	110.4	H856 N886 G887	S854-H856 WeakPolarHBondContact CB-O 3.49Å; S854-H856 PolarHBondContact O-N 3.36Å; S854-H856 VanDerWaalsContact O-N 3.12Å; S854-H856 PolarHBondContact OG-O 2.95Å; S854-N886 PolarHBondContact O-OD1 2.91Å; S854-G887 PolarHBondContact N-O 3.42Å
855	D	88	Confident	93.5	Very high	128 Å²	128	42.5 Å²	42.5	68%	0.684	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	-8.6	176.1	-51.1	-68.7	0	0	0	113.5
856	H	90.1	Very high	93.4	Very high	149 Å²	149	42.5 Å²	42.5	69%	0.69	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135	150.5	-175.6	-61.9	-11.6	0	0	0	111.2	S854	S854-H856 WeakPolarHBondContact CB-O 3.49Å; S854-H856 PolarHBondContact O-N 3.36Å; S854-H856 VanDerWaalsContact O-N 3.12Å; S854-H856 PolarHBondContact OG-O 2.95Å
857	Y	92.8	Very high	93.4	Very high	83 Å²	83	42.7 Å²	42.7	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.6	175.6	-70.8	-92.7	0	0	0	112.2	Y883 I885 N886	Y857-Y883 VanDerWaalsContact CD1-C 3.43Å; Y857-Y883 VanDerWaalsContact CD1-CA 3.44Å; Y857-Y883 HydrophobicContact CD1-CD1 4.4Å; Y857-Y883 HydrophobicContact CD1-CG 4.4Å; Y857-Y883 AromaticContact CD2-CD1 3.64Å; Y857-Y883 HydrophobicContact CD2-CD1 3.64Å; Y857-Y883 HydrophobicContact CD2-CE1 4.37Å; Y857-Y883 HydrophobicContact CD2-CG 4.23Å; Y857-Y883 HydrophobicContact CE1-CG 4.42Å; Y857-Y883 HydrophobicContact CE2-CD1 4.04Å; Y857-Y883 HydrophobicContact CE2-CG 4.29Å; Y857-Y883 AromaticContact CG-CD1 3.85Å; Y857-Y883 HydrophobicContact CG-CD1 3.85Å; Y857-Y883 HydrophobicContact CG-CG 4.3Å; Y857-I885 CarbonylContact C-O 3.52Å; Y857-I885 WeakPolarHBondContact CA-O 3.43Å; Y857-N886 HydrophobicContact CD1-CB 3.75Å; Y857-N886 HydrophobicContact CE1-CB 3.62Å; Y857-N886 HydrophobicContact CG-CB 4.32Å
858	Y	94.1	Very high	93.2	Very high	22 Å²	22	44 Å²	44	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.5	178.4	62.2	-84.3	0	0	0	112	H849 K852 F884 I885	H849-Y858 HydrophobicContact CB-CD2 4.22Å; H849-Y858 HydrophobicContact CB-CE2 4.4Å; K852-Y858 HydrophobicContact CG-CE1 4.05Å; K852-Y858 HydrophobicContact CG-CE2 3.97Å; K852-Y858 PolarHBondContact N-OH 3.01Å; K852-Y858 PolarHBondContact O-OH 2.96Å; Y858-F884 WeakPolarHBondContact O-CB 3.39Å; Y858-I885 WeakPolarHBondContact CD1-O 3.37Å; Y858-I885 HydrophobicContact CD2-CB 4.24Å; Y858-I885 HydrophobicContact CD2-CD1 4.23Å; Y858-I885 HydrophobicContact CE1-CB 4.29Å; Y858-I885 HydrophobicContact CE1-CG2 4.16Å; Y858-I885 HydrophobicContact CE2-CB 3.97Å; Y858-I885 HydrophobicContact CE2-CD1 3.96Å; Y858-I885 HydrophobicContact CE2-CG2 3.93Å; Y858-I885 PolarHBondContact N-O 3.38Å; Y858-I885 WeakPolarHBondContact O-CB 3.34Å; Y858-I885 WeakPolarHBondContact O-CG1 3.47Å; Y858-I885 PolarHBondContact O-N 3.35Å; Y858-I885 VanDerWaalsContact O-N 3.07Å
859	G	92.1	Very high	92.7	Very high	23 Å²	23	44.3 Å²	44.3	24%	0.237	23%	0.227	C	C	.	.			trans	117.6	177	-176.5	0	0	0	0	0	113.3	T848	T848-G859 WeakPolarHBondContact OG1-CA 3.42Å
860	T	92.8	Very high	92.1	Very high	52 Å²	52	46 Å²	46	32%	0.319	25%	0.245	S	C	.	.			trans	-121.3	167.4	172.2	80.9	0	0	0	0	111.1	T848 E862 T863	T848-T860 WeakPolarHBondContact CG2-OG1 3.44Å; T848-T860 PolarHBondContact OG1-N 3.02Å; T860-E862 PolarHBondContact O-N 2.77Å; T860-E862 PolarHBondContact OG1-N 2.92Å; T860-E862 PolarHBondContact OG1-OE2 3.04Å; T860-T863 WeakPolarHBondContact O-CB 3.3Å; T860-T863 PolarHBondContact O-N 3.02Å; T860-T863 PolarHBondContact O-OG1 3.24Å
861	G	91.8	Very high	91.7	Very high	26 Å²	26	51.9 Å²	51.9	27%	0.268	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	1.9	176.6	0	0	0	0	0	116.5	W877	G861-W877 WeakPolarHBondContact O-CB 3.29Å
862	E	93.3	Very high	91.5	Very high	79 Å²	79	54.3 Å²	54.3	37%	0.369	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.3	167.8	-58.3	170.1	109.1	0	0	112.5	R798 Y846 T848 T860 F864	R798-E862 IonicContact CZ-OE1 3.26Å; R798-E862 IonicContact CZ-OE2 3.6Å; R798-E862 VanDerWaalsContact CZ-OE2 3.25Å; R798-E862 IonicContact NH1-OE1 2.67Å; R798-E862 PolarHBondContact NH1-OE1 2.66Å; R798-E862 IonicContact NH1-OE2 3.6Å; R798-E862 PolarHBondContact NH1-OE2 3.1Å; R798-E862 IonicContact NH2-OE1 2.7Å; R798-E862 IonicContact NH2-OE2 2.63Å; R798-E862 PolarHBondContact NH2-OE2 3.4Å; Y846-E862 VanDerWaalsContact CD1-O 3.31Å; Y846-E862 WeakPolarHBondContact CD1-O 3.2Å; Y846-E862 WeakPolarHBondContact CE1-O 3.5Å; T848-E862 VanDerWaalsContact CG2-C 3.49Å; T848-E862 HydrophobicContact CG2-CB 3.6Å; T860-E862 PolarHBondContact O-N 2.77Å; T860-E862 PolarHBondContact OG1-N 2.92Å; T860-E862 PolarHBondContact OG1-OE2 3.04Å; E862-F864 WeakPolarHBondContact O-CD1 3.46Å
863	T	95.2	Very high	91.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.			trans	-61	140.1	168	-65.1	0	0	0	0	108.3	Y846 T848 T860 F884 I885 F920	Y846-T863 CarbonylContact O-C 3.59Å; Y846-T863 VanDerWaalsContact O-CA 3.25Å; Y846-T863 WeakPolarHBondContact O-CA 3.06Å; Y846-T863 WeakPolarHBondContact O-CG2 3.42Å; T848-T863 WeakPolarHBondContact CG2-OG1 3.48Å; T848-T863 PolarHBondContact N-OG1 2.88Å; T848-T863 PolarHBondContact OG1-OG1 3.02Å; T860-T863 WeakPolarHBondContact O-CB 3.3Å; T860-T863 PolarHBondContact O-N 3.02Å; T860-T863 PolarHBondContact O-OG1 3.24Å; T863-F884 HydrophobicContact CG2-CB 4.3Å; T863-I885 HydrophobicContact CG2-CG1 4.34Å; T863-F920 HydrophobicContact CG2-CE1 4.33Å; T863-F920 HydrophobicContact CG2-CZ 3.74Å; T863-F920 VanDerWaalsContact O-CE1 3.29Å; T863-F920 WeakPolarHBondContact O-CE1 3.47Å
864	F	95.9	Very high	91.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.9	178.8	65	-101.2	0	0	0	112.7	L795 A845 Y846 E862 Y866 V874 F875 K876	L795-F864 HydrophobicContact CD2-CZ 4.29Å; A845-F864 CarbonylContact C-O 3.52Å; A845-F864 VanDerWaalsContact CA-O 3.3Å; A845-F864 WeakPolarHBondContact CA-O 3.46Å; Y846-F864 VanDerWaalsContact CB-CZ 3.41Å; Y846-F864 AromaticContact CD1-CD1 3.63Å; Y846-F864 HydrophobicContact CD1-CD1 3.63Å; Y846-F864 AromaticContact CD1-CE1 3.49Å; Y846-F864 HydrophobicContact CD1-CE1 3.49Å; Y846-F864 VanDerWaalsContact CD1-CE1 3.49Å; Y846-F864 HydrophobicContact CD1-CZ 4.37Å; Y846-F864 HydrophobicContact CD2-CE1 4.47Å; Y846-F864 HydrophobicContact CE1-CE1 4.4Å; Y846-F864 AromaticContact CG-CD1 4Å; Y846-F864 HydrophobicContact CG-CD1 4Å; Y846-F864 AromaticContact CG-CE1 3.53Å; Y846-F864 HydrophobicContact CG-CE1 3.53Å; Y846-F864 AromaticContact CG-CZ 3.96Å; Y846-F864 HydrophobicContact CG-CZ 3.96Å; Y846-F864 PolarHBondContact N-O 3.43Å; Y846-F864 PolarHBondContact O-N 2.96Å; E862-F864 WeakPolarHBondContact O-CD1 3.46Å; F864-Y866 HydrophobicContact CE2-CD1 4.23Å; F864-V874 HydrophobicContact CB-CG1 4.36Å; F864-V874 HydrophobicContact CD2-CG1 3.44Å; F864-V874 VanDerWaalsContact CD2-CG1 3.44Å; F864-V874 HydrophobicContact CE2-CG1 3.77Å; F864-V874 HydrophobicContact CG-CG1 3.98Å; F864-F875 WeakPolarHBondContact CA-O 3.39Å; F864-F875 VanDerWaalsContact CB-O 3.31Å; F864-F875 WeakPolarHBondContact CB-O 3.46Å; F864-K876 HydrophobicContact CB-CD 3.66Å; F864-K876 HydrophobicContact CD1-CD 3.91Å; F864-K876 HydrophobicContact CG-CD 3.87Å
865	L	96.5	Very high	91.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	156	169.3	-59.9	178.1	0	0	0	110.5	G844 A845 F875 L894 L903 F920 N922 L925	G844-L865 WeakPolarHBondContact O-CA 3.23Å; A845-L865 HydrophobicContact CB-CD2 3.67Å; L865-F875 HydrophobicContact CB-CB 4.31Å; L865-F875 HydrophobicContact CB-CD2 4.35Å; L865-F875 PolarHBondContact N-O 3Å; L865-F875 VanDerWaalsContact N-O 3.09Å; L865-F875 PolarHBondContact O-N 2.94Å; L865-L894 HydrophobicContact CD2-CB 4.19Å; L865-L903 HydrophobicContact CD2-CB 4.09Å; L865-L903 HydrophobicContact CD2-CD2 4.41Å; L865-F920 HydrophobicContact CD1-CB 4.38Å; L865-F920 HydrophobicContact CD1-CD2 3.49Å; L865-F920 VanDerWaalsContact CD1-CD2 3.49Å; L865-F920 HydrophobicContact CD1-CE2 4.14Å; L865-F920 HydrophobicContact CD1-CG 4.23Å; L865-F920 HydrophobicContact CD2-CD2 4.47Å; L865-F920 HydrophobicContact CD2-CE2 4.37Å; L865-F920 HydrophobicContact CG-CD2 3.56Å; L865-F920 HydrophobicContact CG-CE2 3.88Å; L865-F920 HydrophobicContact CG-CG 4.16Å; L865-N922 HydrophobicContact CD1-CB 4.32Å; L865-L925 HydrophobicContact CB-CD1 4.21Å; L865-L925 HydrophobicContact CB-CD2 4.27Å; L865-L925 HydrophobicContact CD1-CD1 4.3Å; L865-L925 HydrophobicContact CD2-CD1 4.43Å
866	Y	96	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.7	171.1	70.3	-90.9	0	0	0	111.7	L791 L832 L833 F843 G844 F864 F868 F872 K873	L791-Y866 HydrophobicContact CD1-CE2 4.2Å; L791-Y866 HydrophobicContact CD2-CD1 3.89Å; L791-Y866 HydrophobicContact CD2-CD2 3.86Å; L791-Y866 HydrophobicContact CD2-CE1 3.86Å; L791-Y866 HydrophobicContact CD2-CE2 3.86Å; L791-Y866 HydrophobicContact CD2-CG 3.88Å; L832-Y866 HydrophobicContact CD1-CD1 4.47Å; L832-Y866 HydrophobicContact CD1-CE1 3.66Å; L833-Y866 PolarHBondContact O-OH 3.03Å; F843-Y866 WeakPolarHBondContact CA-O 3.45Å; F843-Y866 VanDerWaalsContact CB-O 3.31Å; F843-Y866 WeakPolarHBondContact CB-O 3.26Å; G844-Y866 VanDerWaalsContact C-CE1 3.41Å; G844-Y866 PolarHBondContact N-O 3.12Å; G844-Y866 PolarHBondContact O-N 3.3Å; F864-Y866 HydrophobicContact CE2-CD1 4.23Å; Y866-F868 HydrophobicContact CD2-CD2 4.36Å; Y866-F868 HydrophobicContact CD2-CE2 4.06Å; Y866-F868 HydrophobicContact CE2-CD2 4.2Å; Y866-F868 AromaticContact CE2-CE2 3.72Å; Y866-F868 HydrophobicContact CE2-CE2 3.72Å; Y866-F872 HydrophobicContact CD2-CE2 4.37Å; Y866-K873 VanDerWaalsContact CA-O 3.25Å; Y866-K873 WeakPolarHBondContact CA-O 3.36Å; Y866-K873 WeakPolarHBondContact CB-O 3.33Å
867	T	95.2	Very high	92.5	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.9	168.2	-176.9	0	0	0	0	110	S869 F872 K873 F875 L925	T867-S869 VanDerWaalsContact CG2-O 3.25Å; T867-S869 WeakPolarHBondContact CG2-O 3.43Å; T867-S869 WeakPolarHBondContact OG1-CB 3.49Å; T867-S869 PolarHBondContact OG1-N 2.81Å; T867-S869 PolarHBondContact OG1-O 2.86Å; T867-F872 CarbonylContact O-C 3.56Å; T867-F872 WeakPolarHBondContact O-CA 3.41Å; T867-K873 HydrophobicContact CG2-CB 4.44Å; T867-K873 PolarHBondContact N-O 2.71Å; T867-K873 PolarHBondContact O-N 2.86Å; T867-F875 HydrophobicContact CG2-CE2 4.13Å; T867-L925 WeakPolarHBondContact CB-O 3.35Å; T867-L925 HydrophobicContact CG2-CD2 4.3Å; T867-L925 PolarHBondContact OG1-O 2.87Å
868	F	91.2	Very high	92.5	Very high	27 Å²	27	45.9 Å²	45.9	12%	0.118	24%	0.242	C	C	.	.			trans	-91.6	-4.6	165.8	-67	-82.9	0	0	0	112.5	H787 Q790 L791 I842 Y866 P870 H871 F872	H787-F868 HydrophobicContact CB-CE1 3.97Å; H787-F868 HydrophobicContact CB-CE2 4.01Å; H787-F868 HydrophobicContact CB-CZ 3.52Å; H787-F868 AromaticContact CD2-CD1 3.49Å; H787-F868 VanDerWaalsContact CD2-CD1 3.49Å; H787-F868 WeakPolarHBondContact CD2-CD1 3.44Å; H787-F868 AromaticContact CD2-CE1 3.43Å; H787-F868 VanDerWaalsContact CD2-CE1 3.43Å; H787-F868 WeakPolarHBondContact CD2-CE1 3.45Å; H787-F868 AromaticContact CD2-CG 3.93Å; H787-F868 AromaticContact CD2-CZ 3.78Å; H787-F868 AromaticContact CG-CE1 3.98Å; H787-F868 AromaticContact CG-CZ 3.85Å; Q790-F868 HydrophobicContact CB-CE1 4.13Å; L791-F868 HydrophobicContact CD1-CE2 4.02Å; L791-F868 HydrophobicContact CD1-CZ 3.81Å; L791-F868 HydrophobicContact CG-CE2 4.4Å; L791-F868 HydrophobicContact CG-CZ 3.86Å; I842-F868 HydrophobicContact CB-CD2 3.87Å; I842-F868 HydrophobicContact CG2-CD2 3.71Å; I842-F868 HydrophobicContact CG2-CE2 3.91Å; I842-F868 WeakPolarHBondContact O-CD2 3.37Å; I842-F868 PolarHBondContact O-N 2.87Å; Y866-F868 HydrophobicContact CD2-CD2 4.36Å; Y866-F868 HydrophobicContact CD2-CE2 4.06Å; Y866-F868 HydrophobicContact CE2-CD2 4.2Å; Y866-F868 AromaticContact CE2-CE2 3.72Å; Y866-F868 HydrophobicContact CE2-CE2 3.72Å; F868-P870 CarbonylContact O-C 3.49Å; F868-H871 CarbonylContact C-O 3.54Å; F868-H871 CarbonylContact O-C 3.58Å; F868-H871 VanDerWaalsContact O-C 3.31Å; F868-H871 WeakPolarHBondContact O-CA 3.43Å; F868-H871 PolarHBondContact O-N 2.83Å; F868-F872 HydrophobicContact CD1-CB 3.89Å; F868-F872 AromaticContact CD1-CD2 3.48Å; F868-F872 HydrophobicContact CD1-CD2 3.48Å; F868-F872 VanDerWaalsContact CD1-CD2 3.48Å; F868-F872 HydrophobicContact CD1-CE2 4.32Å; F868-F872 AromaticContact CD1-CG 3.98Å; F868-F872 HydrophobicContact CD1-CG 3.98Å; F868-F872 HydrophobicContact CE1-CB 4.26Å; F868-F872 AromaticContact CE1-CD2 3.3Å; F868-F872 HydrophobicContact CE1-CD2 3.3Å; F868-F872 AromaticContact CE1-CE2 3.74Å; F868-F872 HydrophobicContact CE1-CE2 3.74Å; F868-F872 AromaticContact CE1-CG 3.89Å; F868-F872 HydrophobicContact CE1-CG 3.89Å; F868-F872 HydrophobicContact CE2-CD2 4.49Å; F868-F872 HydrophobicContact CG-CD2 4.15Å; F868-F872 AromaticContact CZ-CD2 3.87Å; F868-F872 HydrophobicContact CZ-CD2 3.87Å; F868-F872 AromaticContact CZ-CE2 3.88Å; F868-F872 HydrophobicContact CZ-CE2 3.88Å
869	S	84.4	Confident	92.4	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	26%	0.261	C	S	.	.	S	Bend	trans	-107.5	127.5	-173.5	172.4	0	0	0	0	112.5	Q841 T867 H871	Q841-S869 PolarHBondContact NE2-OG 3.38Å; T867-S869 VanDerWaalsContact CG2-O 3.25Å; T867-S869 WeakPolarHBondContact CG2-O 3.43Å; T867-S869 WeakPolarHBondContact OG1-CB 3.49Å; T867-S869 PolarHBondContact OG1-N 2.81Å; T867-S869 PolarHBondContact OG1-O 2.86Å; S869-H871 VanDerWaalsContact C-N 3.29Å
870	P	80.8	Confident	92.4	Very high	113 Å²	113	52.9 Å²	52.9	73%	0.734	28%	0.282	S	S	*	.	S	Bend	cis	-76.5	-13.2	-9.8	33.5	-36.6	0	0	0	113	F868	F868-P870 CarbonylContact O-C 3.49Å
871	H	84.3	Confident	92.4	Very high	147 Å²	147	51.4 Å²	51.4	68%	0.681	27%	0.272	S	S	*	.	S	Bend	trans	-139.2	157.9	177.8	-50.3	-24.2	0	0	0	108.3	F868 S869 K873	F868-H871 CarbonylContact C-O 3.54Å; F868-H871 CarbonylContact O-C 3.58Å; F868-H871 VanDerWaalsContact O-C 3.31Å; F868-H871 WeakPolarHBondContact O-CA 3.43Å; F868-H871 PolarHBondContact O-N 2.83Å; S869-H871 VanDerWaalsContact C-N 3.29Å; H871-K873 PolarHBondContact O-N 2.87Å; H871-K873 VanDerWaalsContact O-N 3.1Å
872	F	92.1	Very high	92.5	Very high	51 Å²	51	53.6 Å²	53.6	22%	0.224	28%	0.283	C	S	.	.			trans	-63.4	112.6	176.5	-179	-122.3	0	0	0	112.7	Q790 L791 R794 Y866 T867 F868 V874	Q790-F872 HydrophobicContact CB-CD1 3.83Å; Q790-F872 HydrophobicContact CB-CE1 3.71Å; Q790-F872 HydrophobicContact CB-CG 4.29Å; Q790-F872 HydrophobicContact CB-CZ 4.1Å; Q790-F872 HydrophobicContact CG-CD1 4.28Å; Q790-F872 VanDerWaalsContact O-CE1 3.28Å; Q790-F872 WeakPolarHBondContact O-CE1 3.14Å; Q790-F872 WeakPolarHBondContact O-CZ 3.31Å; Q790-F872 VanDerWaalsContact OE1-CB 3.22Å; L791-F872 HydrophobicContact CD2-CE2 4.06Å; L791-F872 HydrophobicContact CD2-CZ 4.24Å; L791-F872 HydrophobicContact CG-CE2 4.35Å; L791-F872 HydrophobicContact CG-CZ 4.47Å; R794-F872 HydrophobicContact CB-CZ 4.44Å; R794-F872 HydrophobicContact CG-CE1 3.66Å; R794-F872 HydrophobicContact CG-CZ 3.9Å; Y866-F872 HydrophobicContact CD2-CE2 4.37Å; T867-F872 CarbonylContact O-C 3.56Å; T867-F872 WeakPolarHBondContact O-CA 3.41Å; F868-F872 HydrophobicContact CD1-CB 3.89Å; F868-F872 AromaticContact CD1-CD2 3.48Å; F868-F872 HydrophobicContact CD1-CD2 3.48Å; F868-F872 VanDerWaalsContact CD1-CD2 3.48Å; F868-F872 HydrophobicContact CD1-CE2 4.32Å; F868-F872 AromaticContact CD1-CG 3.98Å; F868-F872 HydrophobicContact CD1-CG 3.98Å; F868-F872 HydrophobicContact CE1-CB 4.26Å; F868-F872 AromaticContact CE1-CD2 3.3Å; F868-F872 HydrophobicContact CE1-CD2 3.3Å; F868-F872 AromaticContact CE1-CE2 3.74Å; F868-F872 HydrophobicContact CE1-CE2 3.74Å; F868-F872 AromaticContact CE1-CG 3.89Å; F868-F872 HydrophobicContact CE1-CG 3.89Å; F868-F872 HydrophobicContact CE2-CD2 4.49Å; F868-F872 HydrophobicContact CG-CD2 4.15Å; F868-F872 AromaticContact CZ-CD2 3.87Å; F868-F872 HydrophobicContact CZ-CD2 3.87Å; F868-F872 AromaticContact CZ-CE2 3.88Å; F868-F872 HydrophobicContact CZ-CE2 3.88Å; F872-V874 HydrophobicContact CE1-CG2 4.12Å; F872-V874 HydrophobicContact CE2-CG2 3.97Å; F872-V874 HydrophobicContact CZ-CG2 3.6Å
873	K	93.8	Very high	92.5	Very high	101 Å²	101	55.2 Å²	55.2	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.3	-178.6	-170.1	171.6	179.8	-174.4	0	110.4	Y866 T867 H871 F875 D923	Y866-K873 VanDerWaalsContact CA-O 3.25Å; Y866-K873 WeakPolarHBondContact CA-O 3.36Å; Y866-K873 WeakPolarHBondContact CB-O 3.33Å; T867-K873 HydrophobicContact CG2-CB 4.44Å; T867-K873 PolarHBondContact N-O 2.71Å; T867-K873 PolarHBondContact O-N 2.86Å; H871-K873 PolarHBondContact O-N 2.87Å; H871-K873 VanDerWaalsContact O-N 3.1Å; K873-F875 HydrophobicContact CB-CE2 4.47Å; K873-F875 HydrophobicContact CB-CZ 4.46Å; K873-F875 HydrophobicContact CD-CE1 3.72Å; K873-F875 HydrophobicContact CD-CE2 4.35Å; K873-F875 HydrophobicContact CD-CZ 3.56Å; K873-F875 HydrophobicContact CG-CE1 4.1Å; K873-F875 HydrophobicContact CG-CE2 4.2Å; K873-F875 HydrophobicContact CG-CZ 3.88Å; K873-D923 IonicContact NZ-OD2 2.72Å; K873-D923 PolarHBondContact NZ-OD2 3.01Å
874	V	94.9	Very high	92.5	Very high	34 Å²	34	55.6 Å²	55.6	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.5	-178.8	176.1	0	0	0	0	109.7	R794 F864 F872 K876	R794-V874 HydrophobicContact CB-CG2 4.21Å; R794-V874 HydrophobicContact CG-CG2 4.12Å; F864-V874 HydrophobicContact CB-CG1 4.36Å; F864-V874 HydrophobicContact CD2-CG1 3.44Å; F864-V874 VanDerWaalsContact CD2-CG1 3.44Å; F864-V874 HydrophobicContact CE2-CG1 3.77Å; F864-V874 HydrophobicContact CG-CG1 3.98Å; F872-V874 HydrophobicContact CE1-CG2 4.12Å; F872-V874 HydrophobicContact CE2-CG2 3.97Å; F872-V874 HydrophobicContact CZ-CG2 3.6Å; V874-K876 HydrophobicContact CG1-CD 3.86Å; V874-K876 HydrophobicContact CG1-CG 4.38Å
875	F	95.2	Very high	92.5	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	94	-177.9	-53.8	-85.4	0	0	0	109.5	F864 L865 T867 K873 F920 N922 D923 L925	F864-F875 WeakPolarHBondContact CA-O 3.39Å; F864-F875 VanDerWaalsContact CB-O 3.31Å; F864-F875 WeakPolarHBondContact CB-O 3.46Å; L865-F875 HydrophobicContact CB-CB 4.31Å; L865-F875 HydrophobicContact CB-CD2 4.35Å; L865-F875 PolarHBondContact N-O 3Å; L865-F875 VanDerWaalsContact N-O 3.09Å; L865-F875 PolarHBondContact O-N 2.94Å; T867-F875 HydrophobicContact CG2-CE2 4.13Å; K873-F875 HydrophobicContact CB-CE2 4.47Å; K873-F875 HydrophobicContact CB-CZ 4.46Å; K873-F875 HydrophobicContact CD-CE1 3.72Å; K873-F875 HydrophobicContact CD-CE2 4.35Å; K873-F875 HydrophobicContact CD-CZ 3.56Å; K873-F875 HydrophobicContact CG-CE1 4.1Å; K873-F875 HydrophobicContact CG-CE2 4.2Å; K873-F875 HydrophobicContact CG-CZ 3.88Å; F875-F920 HydrophobicContact CB-CB 4.11Å; F875-N922 HydrophobicContact CB-CB 3.94Å; F875-N922 VanDerWaalsContact CD1-CA 3.44Å; F875-N922 HydrophobicContact CD1-CB 3.72Å; F875-N922 HydrophobicContact CD2-CB 3.9Å; F875-N922 HydrophobicContact CE1-CB 4.05Å; F875-N922 HydrophobicContact CE2-CB 4.25Å; F875-N922 HydrophobicContact CG-CB 3.6Å; F875-N922 HydrophobicContact CZ-CB 4.3Å; F875-D923 HydrophobicContact CE1-CB 4.37Å; F875-D923 WeakPolarHBondContact CE1-OD2 3.42Å; F875-D923 HydrophobicContact CZ-CB 4Å; F875-D923 WeakPolarHBondContact CZ-OD2 3.25Å; F875-L925 HydrophobicContact CD2-CD2 3.85Å; F875-L925 HydrophobicContact CE2-CD2 3.56Å
876	K	95.2	Very high	92.4	Very high	95 Å²	95	56.9 Å²	56.9	41%	0.413	30%	0.295	S	S	.	.			trans	-73.7	168.4	174.5	-56.6	-59.9	-171.4	-179	0	110.5	R794 F864 V874 S878	R794-K876 PolarHBondContact O-NZ 3.29Å; F864-K876 HydrophobicContact CB-CD 3.66Å; F864-K876 HydrophobicContact CD1-CD 3.91Å; F864-K876 HydrophobicContact CG-CD 3.87Å; V874-K876 HydrophobicContact CG1-CD 3.86Å; V874-K876 HydrophobicContact CG1-CG 4.38Å; K876-S878 PolarHBondContact O-N 2.99Å
877	W	95.6	Very high	92.3	Very high	106 Å²	106	56.9 Å²	56.9	40%	0.402	30%	0.295	S	S	.	.			trans	-53.9	133.2	176.1	178.9	41.1	0	0	0	113	G861 G879 N881 F884	G861-W877 WeakPolarHBondContact O-CB 3.29Å; W877-G879 VanDerWaalsContact CE2-CA 3.49Å; W877-N881 PolarHBondContact NE1-O 3.39Å; W877-F884 HydrophobicContact CB-CE1 4.12Å; W877-F884 AromaticContact CD1-CE1 3.39Å; W877-F884 AromaticContact CD1-CZ 3.87Å; W877-F884 HydrophobicContact CD2-CE1 4.04Å; W877-F884 AromaticContact CD2-CZ 3.94Å; W877-F884 HydrophobicContact CD2-CZ 3.94Å; W877-F884 AromaticContact CE2-CZ 3.69Å; W877-F884 AromaticContact CG-CE1 3.62Å; W877-F884 HydrophobicContact CG-CE1 3.62Å; W877-F884 HydrophobicContact CG-CZ 4.04Å; W877-F884 HydrophobicContact CZ2-CZ 4.17Å; W877-F884 AromaticContact NE1-CE1 3.66Å; W877-F884 AromaticContact NE1-CZ 3.66Å
878	S	92.9	Very high	92.2	Very high	54 Å²	54	59.3 Å²	59.3	38%	0.378	31%	0.308	S	S	.	.			trans	-75.6	-23.3	178.8	65.7	0	0	0	0	114.3	K876 E880 S918 T919	K876-S878 PolarHBondContact O-N 2.99Å; S878-E880 VanDerWaalsContact C-N 3.35Å; S878-E880 WeakPolarHBondContact OG-CB 3.38Å; S878-E880 PolarHBondContact OG-N 2.56Å; S878-S918 WeakPolarHBondContact CB-O 3.47Å; S878-S918 PolarHBondContact OG-O 2.95Å; S878-T919 PolarHBondContact N-O 2.96Å; S878-T919 PolarHBondContact OG-O 2.83Å; S878-T919 VanDerWaalsContact OG-O 3.11Å
879	G	92	Very high	92.2	Very high	48 Å²	48	62.6 Å²	62.6	50%	0.495	33%	0.326	S	S	.	.	S	Bend	trans	85.7	-6.2	-167.4	0	0	0	0	0	115.1	W877	W877-G879 VanDerWaalsContact CE2-CA 3.49Å
880	E	91.1	Very high	92.5	Very high	144 Å²	144	65.1 Å²	65.1	67%	0.673	34%	0.343	S	S	*	.	S	Bend	trans	-79	-39.2	-170.9	-165	-171	121.9	0	0	113.8	S878 S918	S878-E880 VanDerWaalsContact C-N 3.35Å; S878-E880 WeakPolarHBondContact OG-CB 3.38Å; S878-E880 PolarHBondContact OG-N 2.56Å; E880-S918 VanDerWaalsContact CD-CB 3.48Å; E880-S918 WeakPolarHBondContact OE1-CB 3.24Å; E880-S918 PolarHBondContact OE1-OG 3.41Å
881	N	92.6	Very high	93.2	Very high	20 Å²	20	60 Å²	60	11%	0.107	31%	0.311	C	S	.	.			trans	-145.6	169	179.1	78.7	53.3	0	0	0	110.7	W877 Y883 G896 S918 T919	W877-N881 PolarHBondContact NE1-O 3.39Å; N881-Y883 HydrophobicContact CB-CD2 3.8Å; N881-Y883 HydrophobicContact CB-CE2 4Å; N881-Y883 HydrophobicContact CB-CG 4.44Å; N881-Y883 VanDerWaalsContact CG-CD2 3.45Å; N881-Y883 WeakPolarHBondContact OD1-CB 3.24Å; N881-Y883 WeakPolarHBondContact OD1-CD2 3.36Å; N881-Y883 PolarHBondContact OD1-N 2.96Å; N881-G896 PolarHBondContact ND2-O 2.85Å; N881-S918 PolarHBondContact ND2-OG 3Å; N881-T919 PolarHBondContact ND2-N 3.3Å; N881-T919 PolarHBondContact ND2-OG1 3.25Å; N881-T919 WeakPolarHBondContact OD1-CB 3.4Å; N881-T919 PolarHBondContact OD1-OG1 3.4Å
882	S	93.4	Very high	93.7	Very high	73 Å²	73	53.1 Å²	53.1	51%	0.51	28%	0.279	S	S	.	.			trans	-111.8	26.8	179.8	-57.7	0	0	0	0	113.8	F884	S882-F884 VanDerWaalsContact C-N 3.25Å; S882-F884 VanDerWaalsContact O-CD2 3.25Å; S882-F884 WeakPolarHBondContact O-CD2 3.4Å; S882-F884 PolarHBondContact O-N 3.4Å
883	Y	94.4	Very high	93.9	Very high	113 Å²	113	51.6 Å²	51.6	44%	0.443	27%	0.272	S	S	.	.			trans	-84.7	59.3	-175.5	-56.1	-39.8	0	0	0	111.7	Y857 N881 G895 G896 T919	Y857-Y883 VanDerWaalsContact CD1-C 3.43Å; Y857-Y883 VanDerWaalsContact CD1-CA 3.44Å; Y857-Y883 HydrophobicContact CD1-CD1 4.4Å; Y857-Y883 HydrophobicContact CD1-CG 4.4Å; Y857-Y883 AromaticContact CD2-CD1 3.64Å; Y857-Y883 HydrophobicContact CD2-CD1 3.64Å; Y857-Y883 HydrophobicContact CD2-CE1 4.37Å; Y857-Y883 HydrophobicContact CD2-CG 4.23Å; Y857-Y883 HydrophobicContact CE1-CG 4.42Å; Y857-Y883 HydrophobicContact CE2-CD1 4.04Å; Y857-Y883 HydrophobicContact CE2-CG 4.29Å; Y857-Y883 AromaticContact CG-CD1 3.85Å; Y857-Y883 HydrophobicContact CG-CD1 3.85Å; Y857-Y883 HydrophobicContact CG-CG 4.3Å; N881-Y883 HydrophobicContact CB-CD2 3.8Å; N881-Y883 HydrophobicContact CB-CE2 4Å; N881-Y883 HydrophobicContact CB-CG 4.44Å; N881-Y883 VanDerWaalsContact CG-CD2 3.45Å; N881-Y883 WeakPolarHBondContact OD1-CB 3.24Å; N881-Y883 WeakPolarHBondContact OD1-CD2 3.36Å; N881-Y883 PolarHBondContact OD1-N 2.96Å; Y883-G895 CarbonylContact O-C 3.49Å; Y883-G895 VanDerWaalsContact O-CA 3.29Å; Y883-G895 WeakPolarHBondContact O-CA 3.38Å; Y883-G896 PolarHBondContact O-N 3.5Å; Y883-T919 PolarHBondContact O-OG1 3Å
884	F	94.9	Very high	94	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	25%	0.252	C	S	.	.			trans	-71.8	-55.4	-168.8	-57.9	-68.2	0	0	0	114.5	Y858 T863 W877 S882 L894 G895 T919 F920	Y858-F884 WeakPolarHBondContact O-CB 3.39Å; T863-F884 HydrophobicContact CG2-CB 4.3Å; W877-F884 HydrophobicContact CB-CE1 4.12Å; W877-F884 AromaticContact CD1-CE1 3.39Å; W877-F884 AromaticContact CD1-CZ 3.87Å; W877-F884 HydrophobicContact CD2-CE1 4.04Å; W877-F884 AromaticContact CD2-CZ 3.94Å; W877-F884 HydrophobicContact CD2-CZ 3.94Å; W877-F884 AromaticContact CE2-CZ 3.69Å; W877-F884 AromaticContact CG-CE1 3.62Å; W877-F884 HydrophobicContact CG-CE1 3.62Å; W877-F884 HydrophobicContact CG-CZ 4.04Å; W877-F884 HydrophobicContact CZ2-CZ 4.17Å; W877-F884 AromaticContact NE1-CE1 3.66Å; W877-F884 AromaticContact NE1-CZ 3.66Å; S882-F884 VanDerWaalsContact C-N 3.25Å; S882-F884 VanDerWaalsContact O-CD2 3.25Å; S882-F884 WeakPolarHBondContact O-CD2 3.4Å; S882-F884 PolarHBondContact O-N 3.4Å; F884-L894 WeakPolarHBondContact O-CA 3.49Å; F884-G895 PolarHBondContact O-N 3.25Å; F884-T919 HydrophobicContact CD1-CG2 3.66Å; F884-T919 HydrophobicContact CE1-CG2 3.91Å; F884-T919 HydrophobicContact CG-CG2 4.49Å; F884-F920 HydrophobicContact CD1-CE1 4.09Å; F884-F920 HydrophobicContact CD1-CZ 4.05Å
885	I	95.9	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131	-176.5	-41.2	174.3	0	0	0	108	A847 F851 Y857 Y858 T863 L892 E893 L894	A847-I885 HydrophobicContact CB-CD1 3.69Å; F851-I885 HydrophobicContact CD1-CG2 4.09Å; F851-I885 HydrophobicContact CE1-CG2 4.22Å; Y857-I885 CarbonylContact C-O 3.52Å; Y857-I885 WeakPolarHBondContact CA-O 3.43Å; Y858-I885 WeakPolarHBondContact CD1-O 3.37Å; Y858-I885 HydrophobicContact CD2-CB 4.24Å; Y858-I885 HydrophobicContact CD2-CD1 4.23Å; Y858-I885 HydrophobicContact CE1-CB 4.29Å; Y858-I885 HydrophobicContact CE1-CG2 4.16Å; Y858-I885 HydrophobicContact CE2-CB 3.97Å; Y858-I885 HydrophobicContact CE2-CD1 3.96Å; Y858-I885 HydrophobicContact CE2-CG2 3.93Å; Y858-I885 PolarHBondContact N-O 3.38Å; Y858-I885 WeakPolarHBondContact O-CB 3.34Å; Y858-I885 WeakPolarHBondContact O-CG1 3.47Å; Y858-I885 PolarHBondContact O-N 3.35Å; Y858-I885 VanDerWaalsContact O-N 3.07Å; T863-I885 HydrophobicContact CG2-CG1 4.34Å; I885-L892 HydrophobicContact CG2-CD1 4.47Å; I885-E893 CarbonylContact C-O 3.53Å; I885-E893 WeakPolarHBondContact CA-O 3.33Å; I885-L894 HydrophobicContact CB-CD2 4.35Å; I885-L894 HydrophobicContact CG1-CD2 3.88Å; I885-L894 HydrophobicContact CG2-CD2 4.1Å
886	N	94.3	Very high	93.6	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.5	167.6	-170.4	45.8	0	0	0	108.7	S854 Y857 E893	S854-N886 PolarHBondContact O-OD1 2.91Å; Y857-N886 HydrophobicContact CD1-CB 3.75Å; Y857-N886 HydrophobicContact CE1-CB 3.62Å; Y857-N886 HydrophobicContact CG-CB 4.32Å; N886-E893 HydrophobicContact CB-CB 4.17Å; N886-E893 HydrophobicContact CB-CG 4.41Å; N886-E893 PolarHBondContact N-O 3.03Å; N886-E893 PolarHBondContact ND2-OE2 2.81Å; N886-E893 PolarHBondContact O-N 2.99Å
887	G	93.5	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	107.7	-175.9	0	0	0	0	0	111.6	Y821 F853 S854	Y821-G887 VanDerWaalsContact OH-C 3.28Å; Y821-G887 WeakPolarHBondContact OH-CA 3.47Å; F853-G887 CarbonylContact C-O 3.58Å; F853-G887 VanDerWaalsContact CA-O 3.3Å; F853-G887 WeakPolarHBondContact CA-O 3.28Å; F853-G887 WeakPolarHBondContact CD2-O 3.42Å; S854-G887 PolarHBondContact N-O 3.42Å
888	D	92.8	Very high	92.2	Very high	55 Å²	55	40 Å²	40	29%	0.294	25%	0.251	S	S	.	.			trans	-102	170.3	175.1	178.2	47.1	0	0	0	111	Y821 S890 S891	Y821-D888 WeakPolarHBondContact CE2-O 3.08Å; Y821-D888 PolarHBondContact OH-N 3.28Å; Y821-D888 PolarHBondContact OH-O 2.92Å; D888-S890 PolarHBondContact O-N 3.39Å; D888-S890 WeakPolarHBondContact OD2-CA 3.42Å; D888-S890 VanDerWaalsContact OD2-CB 3.27Å; D888-S890 WeakPolarHBondContact OD2-CB 3.3Å; D888-S890 PolarHBondContact OD2-N 3.13Å; D888-S890 PolarHBondContact OD2-OG 3.13Å; D888-S891 PolarHBondContact N-O 3.06Å; D888-S891 VanDerWaalsContact O-O 3.09Å
889	I	91.3	Very high	91.7	Very high	96 Å²	96	41.1 Å²	41.1	49%	0.492	27%	0.272	S	S	.	.	S	Bend	trans	-60.2	-29.4	168.9	-50.9	179.7	0	0	0	111.4	K818 F853	K818-I889 VanDerWaalsContact CE-CG2 3.47Å; F853-I889 HydrophobicContact CD2-CG1 3.91Å; F853-I889 HydrophobicContact CE2-CD1 4.43Å; F853-I889 HydrophobicContact CE2-CG1 3.71Å
890	S	92	Very high	91.5	Very high	70 Å²	70	43.7 Å²	43.7	49%	0.49	27%	0.266	S	S	.	.	S	Bend	trans	-105.4	-16.7	-176	72.6	0	0	0	0	115.8	D888 A907	D888-S890 PolarHBondContact O-N 3.39Å; D888-S890 WeakPolarHBondContact OD2-CA 3.42Å; D888-S890 VanDerWaalsContact OD2-CB 3.27Å; D888-S890 WeakPolarHBondContact OD2-CB 3.3Å; D888-S890 PolarHBondContact OD2-N 3.13Å; D888-S890 PolarHBondContact OD2-OG 3.13Å; S890-A907 PolarHBondContact O-N 3.06Å
891	S	94.2	Very high	91.6	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.8	-179.9	61.5	0	0	0	0	114	Y821 D888 E893 W904 L905	Y821-S891 PolarHBondContact OH-O 2.97Å; D888-S891 PolarHBondContact N-O 3.06Å; D888-S891 VanDerWaalsContact O-O 3.09Å; S891-E893 VanDerWaalsContact OG-CD 3.31Å; S891-E893 WeakPolarHBondContact OG-CG 3.47Å; S891-E893 PolarHBondContact OG-OE1 3.47Å; S891-W904 VanDerWaalsContact CB-NE1 3.27Å; S891-L905 VanDerWaalsContact CA-O 3.28Å; S891-L905 WeakPolarHBondContact CA-O 3.5Å
892	L	95.9	Very high	91.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.5	164.1	177.6	62.1	0	0	0	109.1	L817 L820 Y821 F851 I885 W904 L905	L817-L892 HydrophobicContact CD1-CB 3.81Å; L817-L892 HydrophobicContact CD1-CD2 4.24Å; L817-L892 HydrophobicContact CD2-CB 4.33Å; L820-L892 HydrophobicContact CD2-CD2 4.49Å; Y821-L892 HydrophobicContact CE1-CD1 4.32Å; F851-L892 HydrophobicContact CB-CD1 4.43Å; F851-L892 HydrophobicContact CD1-CD1 3.75Å; F851-L892 HydrophobicContact CD1-CD2 4.03Å; F851-L892 HydrophobicContact CD1-CG 4.45Å; F851-L892 HydrophobicContact CD2-CD2 4.4Å; F851-L892 HydrophobicContact CE1-CD1 4.36Å; F851-L892 HydrophobicContact CE1-CD2 4.29Å; F851-L892 HydrophobicContact CG-CD1 4.28Å; F851-L892 HydrophobicContact CG-CD2 4.08Å; I885-L892 HydrophobicContact CG2-CD1 4.47Å; L892-W904 CarbonylContact O-C 3.58Å; L892-W904 WeakPolarHBondContact O-CA 3.19Å; L892-L905 HydrophobicContact CB-CB 4.48Å; L892-L905 PolarHBondContact N-O 2.96Å; L892-L905 PolarHBondContact O-N 3.14Å
893	E	95.4	Very high	91.8	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.2	-164	-28.1	-174.2	131.6	0	0	111.1	I885 N886 S891 F901 W904	I885-E893 CarbonylContact C-O 3.53Å; I885-E893 WeakPolarHBondContact CA-O 3.33Å; N886-E893 HydrophobicContact CB-CB 4.17Å; N886-E893 HydrophobicContact CB-CG 4.41Å; N886-E893 PolarHBondContact N-O 3.03Å; N886-E893 PolarHBondContact ND2-OE2 2.81Å; N886-E893 PolarHBondContact O-N 2.99Å; S891-E893 VanDerWaalsContact OG-CD 3.31Å; S891-E893 WeakPolarHBondContact OG-CG 3.47Å; S891-E893 PolarHBondContact OG-OE1 3.47Å; E893-F901 HydrophobicContact CB-CD1 3.8Å; E893-F901 HydrophobicContact CB-CE1 3.94Å; E893-F901 HydrophobicContact CB-CG 4.2Å; E893-F901 HydrophobicContact CB-CZ 4.45Å; E893-F901 VanDerWaalsContact CD-CZ 3.43Å; E893-F901 HydrophobicContact CG-CE1 4.38Å; E893-F901 HydrophobicContact CG-CZ 4.45Å; E893-F901 WeakPolarHBondContact OE1-CZ 3.5Å; E893-F901 VanDerWaalsContact OE2-CE1 3.29Å; E893-F901 WeakPolarHBondContact OE2-CE1 3.44Å; E893-F901 VanDerWaalsContact OE2-CZ 3.31Å; E893-F901 WeakPolarHBondContact OE2-CZ 3.15Å; E893-W904 PolarHBondContact OE1-NE1 3.36Å
894	L	95.8	Very high	91.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113.9	-169.7	-82.6	155	0	0	0	110.3	L833 A845 F851 L865 F884 I885 G902 L903	L833-L894 HydrophobicContact CD2-CD1 3.64Å; A845-L894 HydrophobicContact CB-CD1 3.8Å; A845-L894 HydrophobicContact CB-CD2 4.1Å; A845-L894 HydrophobicContact CB-CG 4.48Å; F851-L894 HydrophobicContact CE1-CD1 4.23Å; F851-L894 HydrophobicContact CE1-CD2 4.33Å; F851-L894 HydrophobicContact CZ-CD1 4.46Å; L865-L894 HydrophobicContact CD2-CB 4.19Å; F884-L894 WeakPolarHBondContact O-CA 3.49Å; I885-L894 HydrophobicContact CB-CD2 4.35Å; I885-L894 HydrophobicContact CG1-CD2 3.88Å; I885-L894 HydrophobicContact CG2-CD2 4.1Å; L894-G902 WeakPolarHBondContact O-CA 3.34Å; L894-G902 PolarHBondContact O-N 2.85Å; L894-G902 VanDerWaalsContact O-N 3.07Å; L894-L903 HydrophobicContact CB-CB 4.06Å; L894-L903 HydrophobicContact CD1-CD2 4.01Å; L894-L903 HydrophobicContact CD1-CG 4.43Å; L894-L903 PolarHBondContact N-O 3.26Å; L894-L903 PolarHBondContact O-N 3.22Å
895	G	93	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	74.7	94.5	-177.3	0	0	0	0	0	112.9	Y883 F884 F901 G902 C917	Y883-G895 CarbonylContact O-C 3.49Å; Y883-G895 VanDerWaalsContact O-CA 3.29Å; Y883-G895 WeakPolarHBondContact O-CA 3.38Å; F884-G895 PolarHBondContact O-N 3.25Å; G895-F901 CarbonylContact O-C 3.16Å; G895-F901 VanDerWaalsContact O-CA 3.25Å; G895-F901 WeakPolarHBondContact O-CA 3.26Å; G895-G902 PolarHBondContact O-N 3.45Å; G895-C917 WeakPolarHBondContact O-CB 3.37Å; G895-C917 PolarHBondContact O-SG 2.91Å; G895-C917 VanDerWaalsContact O-SG 3.33Å
896	G	89.8	Confident	92	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.209	C	C	.	.			trans	-90.5	-168.5	179.2	0	0	0	0	0	115.2	N881 Y883 T919	N881-G896 PolarHBondContact ND2-O 2.85Å; Y883-G896 PolarHBondContact O-N 3.5Å; G896-T919 PolarHBondContact N-OG1 3.31Å; G896-T919 VanDerWaalsContact N-OG1 3.15Å; G896-T919 PolarHBondContact O-OG1 2.89Å
897	G	83.8	Confident	92.1	Very high	17 Å²	17	33.2 Å²	33.2	18%	0.175	21%	0.214	C	C	.	.			trans	107.2	142.3	177	0	0	0	0	0	113.2	G899 R900	G897-G899 PolarHBondContact O-N 3.39Å; G897-R900 PolarHBondContact O-N 3.01Å
898	G	76.4	Confident	92.1	Very high	86 Å²	86	37.8 Å²	37.8	89%	0.887	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	11.5	-179.3	0	0	0	0	0	115.7
899	G	82.5	Confident	92.2	Very high	78 Å²	78	35.2 Å²	35.2	80%	0.804	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	15.9	-178.7	0	0	0	0	0	114.8	G897	G897-G899 PolarHBondContact O-N 3.39Å
900	R	88.1	Confident	92.4	Very high	102 Å²	102	36 Å²	36	39%	0.385	22%	0.223	S	C	.	.			trans	-133.8	171.4	172.1	-58.5	-170	-50.9	-157.7	2.7	110.7	G897 N915 S916	G897-R900 PolarHBondContact O-N 3.01Å; R900-N915 HydrophobicContact CB-CB 4.02Å; R900-S916 PolarHBondContact NH2-O 3.13Å; R900-S916 PolarHBondContact NH2-OG 3.15Å
901	F	93.3	Very high	92.6	Very high	47 Å²	47	37.4 Å²	37.4	21%	0.206	22%	0.221	C	C	.	.			trans	-122.4	144.8	-177.6	-51.8	-72.4	0	0	0	110.9	E893 G895 L903 W904 N915	E893-F901 HydrophobicContact CB-CD1 3.8Å; E893-F901 HydrophobicContact CB-CE1 3.94Å; E893-F901 HydrophobicContact CB-CG 4.2Å; E893-F901 HydrophobicContact CB-CZ 4.45Å; E893-F901 VanDerWaalsContact CD-CZ 3.43Å; E893-F901 HydrophobicContact CG-CE1 4.38Å; E893-F901 HydrophobicContact CG-CZ 4.45Å; E893-F901 WeakPolarHBondContact OE1-CZ 3.5Å; E893-F901 VanDerWaalsContact OE2-CE1 3.29Å; E893-F901 WeakPolarHBondContact OE2-CE1 3.44Å; E893-F901 VanDerWaalsContact OE2-CZ 3.31Å; E893-F901 WeakPolarHBondContact OE2-CZ 3.15Å; G895-F901 CarbonylContact O-C 3.16Å; G895-F901 VanDerWaalsContact O-CA 3.25Å; G895-F901 WeakPolarHBondContact O-CA 3.26Å; F901-L903 VanDerWaalsContact C-N 3.29Å; F901-W904 HydrophobicContact CB-CB 4.06Å; F901-W904 HydrophobicContact CD2-CB 4.13Å; F901-W904 AromaticContact CD2-CD1 3.51Å; F901-W904 HydrophobicContact CD2-CG 4.08Å; F901-W904 AromaticContact CE2-CD1 3.74Å; F901-W904 HydrophobicContact CG-CB 4.4Å; F901-N915 PolarHBondContact O-N 3.05Å; F901-N915 VanDerWaalsContact O-N 3.09Å
902	G	94.3	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-64.7	-39.2	174.5	0	0	0	0	0	111.6	L894 G895 S914 N915	L894-G902 WeakPolarHBondContact O-CA 3.34Å; L894-G902 PolarHBondContact O-N 2.85Å; L894-G902 VanDerWaalsContact O-N 3.07Å; G895-G902 PolarHBondContact O-N 3.45Å; G902-S914 WeakPolarHBondContact O-CA 3.38Å; G902-S914 WeakPolarHBondContact O-CB 3.49Å; G902-S914 PolarHBondContact O-OG 3.31Å; G902-N915 WeakPolarHBondContact CA-O 3.42Å
903	L	96.4	Very high	92.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	136.3	171.7	174.8	61.5	0	0	0	109.1	L833 I835 F843 A845 L865 L894 F901 R913 L925 F931	L833-L903 HydrophobicContact CD2-CD2 4.07Å; I835-L903 HydrophobicContact CD1-CD1 3.8Å; I835-L903 HydrophobicContact CD1-CD2 3.77Å; I835-L903 HydrophobicContact CD1-CG 4.26Å; F843-L903 HydrophobicContact CD2-CD1 4.43Å; F843-L903 HydrophobicContact CE2-CD1 4.07Å; A845-L903 HydrophobicContact CB-CD2 4.42Å; L865-L903 HydrophobicContact CD2-CB 4.09Å; L865-L903 HydrophobicContact CD2-CD2 4.41Å; L894-L903 HydrophobicContact CB-CB 4.06Å; L894-L903 HydrophobicContact CD1-CD2 4.01Å; L894-L903 HydrophobicContact CD1-CG 4.43Å; L894-L903 PolarHBondContact N-O 3.26Å; L894-L903 PolarHBondContact O-N 3.22Å; F901-L903 VanDerWaalsContact C-N 3.29Å; L903-R913 CarbonylContact C-O 3.56Å; L903-R913 WeakPolarHBondContact CA-O 3.2Å; L903-L925 HydrophobicContact CB-CD1 4.19Å; L903-L925 HydrophobicContact CD2-CD1 4.44Å; L903-F931 HydrophobicContact CD1-CE1 3.94Å; L903-F931 HydrophobicContact CD1-CZ 3.65Å
904	W	96.3	Very high	92.6	Very high	63 Å²	63	41.4 Å²	41.4	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.7	-179.4	178.6	97	0	0	0	109.5	S891 L892 E893 F901 D906 G912 R913	S891-W904 VanDerWaalsContact CB-NE1 3.27Å; L892-W904 CarbonylContact O-C 3.58Å; L892-W904 WeakPolarHBondContact O-CA 3.19Å; E893-W904 PolarHBondContact OE1-NE1 3.36Å; F901-W904 HydrophobicContact CB-CB 4.06Å; F901-W904 HydrophobicContact CD2-CB 4.13Å; F901-W904 AromaticContact CD2-CD1 3.51Å; F901-W904 HydrophobicContact CD2-CG 4.08Å; F901-W904 AromaticContact CE2-CD1 3.74Å; F901-W904 HydrophobicContact CG-CB 4.4Å; W904-D906 HydrophobicContact CH2-CB 3.69Å; W904-D906 HydrophobicContact CZ3-CB 3.96Å; W904-G912 CarbonylContact O-C 3.45Å; W904-G912 WeakPolarHBondContact O-CA 3.48Å; W904-R913 HydrophobicContact CB-CB 4.35Å; W904-R913 HydrophobicContact CE3-CB 4.18Å; W904-R913 PolarHBondContact N-O 3.49Å; W904-R913 PolarHBondContact O-N 3.4Å
905	L	96.9	Very high	92.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.6	177.6	-67.3	171	0	0	0	110.5	L833 I835 S891 L892 L909 F931 V933 L936	L833-L905 HydrophobicContact CD2-CD1 4.42Å; I835-L905 HydrophobicContact CD1-CD1 4.06Å; I835-L905 HydrophobicContact CD1-CD2 4.16Å; I835-L905 HydrophobicContact CD1-CG 4.43Å; S891-L905 VanDerWaalsContact CA-O 3.28Å; S891-L905 WeakPolarHBondContact CA-O 3.5Å; L892-L905 HydrophobicContact CB-CB 4.48Å; L892-L905 PolarHBondContact N-O 2.96Å; L892-L905 PolarHBondContact O-N 3.14Å; L905-L909 HydrophobicContact CB-CD2 4.21Å; L905-L909 HydrophobicContact CD1-CD2 4.14Å; L905-F931 HydrophobicContact CD2-CE2 4.06Å; L905-F931 HydrophobicContact CD2-CZ 4.08Å; L905-V933 HydrophobicContact CD2-CG2 3.83Å; L905-L936 HydrophobicContact CD1-CD1 3.55Å
906	D	96.4	Very high	92.6	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	172.4	176.4	72.7	-3.5	0	0	0	114.1	W904 D908 L909 Y910 H911	W904-D906 HydrophobicContact CH2-CB 3.69Å; W904-D906 HydrophobicContact CZ3-CB 3.96Å; D906-D908 PolarHBondContact O-N 2.92Å; D906-D908 VanDerWaalsContact O-N 3.15Å; D906-D908 PolarHBondContact OD1-N 3.35Å; D906-L909 PolarHBondContact O-N 3.23Å; D906-L909 VanDerWaalsContact O-N 3.14Å; D906-L909 WeakPolarHBondContact OD1-CA 3.16Å; D906-L909 PolarHBondContact OD1-N 2.82Å; D906-Y910 PolarHBondContact OD1-N 2.81Å; D906-H911 HydrophobicContact CB-CB 4.46Å; D906-H911 PolarHBondContact N-O 2.83Å; D906-H911 PolarHBondContact OD1-N 2.83Å; D906-H911 WeakPolarHBondContact OD2-CB 3.16Å; D906-H911 IonicContact OD2-CE1 3.12Å; D906-H911 IonicContact OD2-CG 2.7Å; D906-H911 PolarHBondContact OD2-N 3.48Å; D906-H911 IonicContact OD2-ND1 3.29Å; D906-H911 PolarHBondContact OD2-ND1 3.03Å
907	A	95.5	Very high	92.8	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	-178.4	0	0	0	0	0	114.6	L817 S890	L817-A907 VanDerWaalsContact CB-O 3.26Å; L817-A907 WeakPolarHBondContact CB-O 3.41Å; L817-A907 PolarHBondContact N-O 2.83Å; S890-A907 PolarHBondContact O-N 3.06Å
908	D	94.9	Very high	93.2	Very high	97 Å²	97	45.2 Å²	45.2	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	13	-176.8	-63.5	-42.2	0	0	0	112.2	T815 D906 Y910	T815-D908 WeakPolarHBondContact CB-O 3.42Å; T815-D908 CarbonylContact O-C 3.56Å; T815-D908 PolarHBondContact OG1-O 3.1Å; D906-D908 PolarHBondContact O-N 2.92Å; D906-D908 VanDerWaalsContact O-N 3.15Å; D906-D908 PolarHBondContact OD1-N 3.35Å; D908-Y910 PolarHBondContact O-N 3.04Å
909	L	94.6	Very high	94	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	44	36.4	178.5	-54.8	173.6	0	0	0	113.9	Y808 T815 L817 L820 L905 D906 V933 L936	Y808-L909 HydrophobicContact CE1-CD1 3.7Å; Y808-L909 WeakPolarHBondContact OH-CD1 3.18Å; T815-L909 WeakPolarHBondContact O-CB 3.33Å; T815-L909 WeakPolarHBondContact O-CD1 3.39Å; T815-L909 WeakPolarHBondContact O-CG 3.3Å; T815-L909 PolarHBondContact O-N 2.85Å; L817-L909 HydrophobicContact CB-CD2 4.12Å; L817-L909 HydrophobicContact CB-CG 4.28Å; L817-L909 HydrophobicContact CD1-CD2 4.04Å; L820-L909 HydrophobicContact CB-CD1 4.28Å; L820-L909 HydrophobicContact CD1-CD1 3.8Å; L820-L909 HydrophobicContact CD1-CD2 4.33Å; L905-L909 HydrophobicContact CB-CD2 4.21Å; L905-L909 HydrophobicContact CD1-CD2 4.14Å; D906-L909 PolarHBondContact O-N 3.23Å; D906-L909 VanDerWaalsContact O-N 3.14Å; D906-L909 WeakPolarHBondContact OD1-CA 3.16Å; D906-L909 PolarHBondContact OD1-N 2.82Å; L909-V933 WeakPolarHBondContact O-CB 3.49Å; L909-V933 WeakPolarHBondContact O-CG2 3.32Å; L909-L936 HydrophobicContact CB-CD1 4.41Å; L909-L936 HydrophobicContact CD1-CD1 4.46Å; L909-L936 HydrophobicContact CD2-CD1 4.27Å
910	Y	94.9	Very high	94.6	Very high	113 Å²	113	37.6 Å²	37.6	44%	0.443	18%	0.179	S	C	.	.			trans	-118.7	-44.9	-172.3	177.4	-99.3	0	0	0	111.7	D906 D908 I932 V933	D906-Y910 PolarHBondContact OD1-N 2.81Å; D908-Y910 PolarHBondContact O-N 3.04Å; Y910-I932 HydrophobicContact CD1-CG2 4.45Å; Y910-I932 HydrophobicContact CD2-CG2 4.04Å; Y910-I932 HydrophobicContact CE1-CG2 3.98Å; Y910-I932 HydrophobicContact CE2-CG2 3.51Å; Y910-I932 HydrophobicContact CG-CG2 4.49Å; Y910-I932 VanDerWaalsContact CZ-CG2 3.48Å; Y910-I932 CarbonylContact O-C 3.36Å; Y910-I932 WeakPolarHBondContact O-CA 3.28Å; Y910-V933 PolarHBondContact O-N 2.97Å
911	H	95.8	Very high	94.8	Very high	98 Å²	98	38.9 Å²	38.9	45%	0.454	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.8	167.9	-50.9	96.6	0	0	0	110.1	D906	D906-H911 HydrophobicContact CB-CB 4.46Å; D906-H911 PolarHBondContact N-O 2.83Å; D906-H911 PolarHBondContact OD1-N 2.83Å; D906-H911 WeakPolarHBondContact OD2-CB 3.16Å; D906-H911 IonicContact OD2-CE1 3.12Å; D906-H911 IonicContact OD2-CG 2.7Å; D906-H911 PolarHBondContact OD2-N 3.48Å; D906-H911 IonicContact OD2-ND1 3.29Å; D906-H911 PolarHBondContact OD2-ND1 3.03Å
912	G	95.9	Very high	94.7	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.8	170.8	0	0	0	0	0	112.5	W904 F931	W904-G912 CarbonylContact O-C 3.45Å; W904-G912 WeakPolarHBondContact O-CA 3.48Å; G912-F931 VanDerWaalsContact C-CE1 3.45Å; G912-F931 VanDerWaalsContact CA-CZ 3.5Å; G912-F931 PolarHBondContact N-O 3.03Å; G912-F931 PolarHBondContact O-N 2.87Å; G912-F931 VanDerWaalsContact O-O 3.13Å
913	R	95.3	Very high	94.6	Very high	109 Å²	109	40.9 Å²	40.9	41%	0.411	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.4	177	178.7	173.7	-69.4	155.3	3.4	110.5	L903 W904 N915 E929 D930	L903-R913 CarbonylContact C-O 3.56Å; L903-R913 WeakPolarHBondContact CA-O 3.2Å; W904-R913 HydrophobicContact CB-CB 4.35Å; W904-R913 HydrophobicContact CE3-CB 4.18Å; W904-R913 PolarHBondContact N-O 3.49Å; W904-R913 PolarHBondContact O-N 3.4Å; R913-N915 WeakPolarHBondContact CD-OD1 3.46Å; R913-N915 WeakPolarHBondContact CG-OD1 3.08Å; R913-E929 CarbonylContact C-O 3.49Å; R913-E929 VanDerWaalsContact CA-O 3.24Å; R913-E929 WeakPolarHBondContact CA-O 3.41Å; R913-D930 IonicContact CZ-OD1 2.71Å; R913-D930 IonicContact NE-OD1 2.69Å; R913-D930 PolarHBondContact NE-OD1 3.22Å; R913-D930 IonicContact NH2-OD1 3.43Å; R913-D930 PolarHBondContact NH2-OD1 3.43Å; R913-D930 IonicContact NH2-OD2 3.43Å
914	S	95.5	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.			trans	-130.1	128.1	169.7	-178	0	0	0	0	109.6	G902 L925 E929	G902-S914 WeakPolarHBondContact O-CA 3.38Å; G902-S914 WeakPolarHBondContact O-CB 3.49Å; G902-S914 PolarHBondContact O-OG 3.31Å; S914-L925 WeakPolarHBondContact OG-CG 3.47Å; S914-L925 PolarHBondContact OG-N 3.33Å; S914-E929 PolarHBondContact N-O 3.07Å; S914-E929 WeakPolarHBondContact O-CA 3.35Å
915	N	94.8	Very high	94.3	Very high	7 Å²	7	41 Å²	41	4%	0.037	21%	0.211	C	C	.	.			trans	-128.9	174	171.4	-57.4	111.5	0	0	0	109.3	R900 F901 G902 R913 N922 E929	R900-N915 HydrophobicContact CB-CB 4.02Å; F901-N915 PolarHBondContact O-N 3.05Å; F901-N915 VanDerWaalsContact O-N 3.09Å; G902-N915 WeakPolarHBondContact CA-O 3.42Å; R913-N915 WeakPolarHBondContact CD-OD1 3.46Å; R913-N915 WeakPolarHBondContact CG-OD1 3.08Å; N915-N922 PolarHBondContact O-ND2 2.64Å; N915-E929 PolarHBondContact ND2-OE1 3.3Å; N915-E929 PolarHBondContact ND2-OE2 3.36Å
916	S	93	Very high	94	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	21%	0.213	S	C	.	.			trans	-73.2	127.6	163.1	54.3	0	0	0	0	111.2	R900 N922	R900-S916 PolarHBondContact NH2-O 3.13Å; R900-S916 PolarHBondContact NH2-OG 3.15Å; S916-N922 WeakPolarHBondContact CA-O 3.48Å; S916-N922 WeakPolarHBondContact CB-O 3.41Å
917	C	93.8	Very high	93.7	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.041	23%	0.229	C	C	.	.			trans	-118.4	157	174	79	0	0	0	0	111.5	G895 N921 N922	G895-C917 WeakPolarHBondContact O-CB 3.37Å; G895-C917 PolarHBondContact O-SG 2.91Å; G895-C917 VanDerWaalsContact O-SG 3.33Å; C917-N921 VanDerWaalsContact O-CA 3.31Å; C917-N921 WeakPolarHBondContact O-CA 3.11Å; C917-N921 PolarHBondContact O-N 2.64Å; C917-N922 PolarHBondContact N-OD1 3.46Å; C917-N922 VanDerWaalsContact N-OD1 3.1Å; C917-N922 PolarHBondContact SG-OD1 3.03Å
918	S	92.6	Very high	93.5	Very high	29 Å²	29	49.7 Å²	49.7	20%	0.203	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12	-180	78.2	0	0	0	0	114.7	S878 E880 N881 F920	S878-S918 WeakPolarHBondContact CB-O 3.47Å; S878-S918 PolarHBondContact OG-O 2.95Å; E880-S918 VanDerWaalsContact CD-CB 3.48Å; E880-S918 WeakPolarHBondContact OE1-CB 3.24Å; E880-S918 PolarHBondContact OE1-OG 3.41Å; N881-S918 PolarHBondContact ND2-OG 3Å; S918-F920 VanDerWaalsContact C-N 3.35Å; S918-F920 PolarHBondContact O-N 3.29Å
919	T	93.6	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.5	172.9	-47	0	0	0	0	112.3	S878 N881 Y883 F884 G896	S878-T919 PolarHBondContact N-O 2.96Å; S878-T919 PolarHBondContact OG-O 2.83Å; S878-T919 VanDerWaalsContact OG-O 3.11Å; N881-T919 PolarHBondContact ND2-N 3.3Å; N881-T919 PolarHBondContact ND2-OG1 3.25Å; N881-T919 WeakPolarHBondContact OD1-CB 3.4Å; N881-T919 PolarHBondContact OD1-OG1 3.4Å; Y883-T919 PolarHBondContact O-OG1 3Å; F884-T919 HydrophobicContact CD1-CG2 3.66Å; F884-T919 HydrophobicContact CE1-CG2 3.91Å; F884-T919 HydrophobicContact CG-CG2 4.49Å; G896-T919 PolarHBondContact N-OG1 3.31Å; G896-T919 VanDerWaalsContact N-OG1 3.15Å; G896-T919 PolarHBondContact O-OG1 2.89Å
920	F	94.2	Very high	93.5	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-8	-175.4	-57.3	-59.3	0	0	0	114	T863 L865 F875 F884 S918 N922	T863-F920 HydrophobicContact CG2-CE1 4.33Å; T863-F920 HydrophobicContact CG2-CZ 3.74Å; T863-F920 VanDerWaalsContact O-CE1 3.29Å; T863-F920 WeakPolarHBondContact O-CE1 3.47Å; L865-F920 HydrophobicContact CD1-CB 4.38Å; L865-F920 HydrophobicContact CD1-CD2 3.49Å; L865-F920 VanDerWaalsContact CD1-CD2 3.49Å; L865-F920 HydrophobicContact CD1-CE2 4.14Å; L865-F920 HydrophobicContact CD1-CG 4.23Å; L865-F920 HydrophobicContact CD2-CD2 4.47Å; L865-F920 HydrophobicContact CD2-CE2 4.37Å; L865-F920 HydrophobicContact CG-CD2 3.56Å; L865-F920 HydrophobicContact CG-CE2 3.88Å; L865-F920 HydrophobicContact CG-CG 4.16Å; F875-F920 HydrophobicContact CB-CB 4.11Å; F884-F920 HydrophobicContact CD1-CE1 4.09Å; F884-F920 HydrophobicContact CD1-CZ 4.05Å; S918-F920 VanDerWaalsContact C-N 3.35Å; S918-F920 PolarHBondContact O-N 3.29Å; F920-N922 HydrophobicContact CB-CB 4.28Å; F920-N922 PolarHBondContact O-N 3.27Å
921	N	92.3	Very high	93.5	Very high	128 Å²	128	48.9 Å²	48.9	68%	0.684	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	46.9	-172.3	-168.1	37.3	0	0	0	111.5	C917	C917-N921 VanDerWaalsContact O-CA 3.31Å; C917-N921 WeakPolarHBondContact O-CA 3.11Å; C917-N921 PolarHBondContact O-N 2.64Å
922	N	92.8	Very high	93.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-87.5	153.8	-172.5	67.9	-72.2	0	0	0	112.6	L865 F875 N915 S916 C917 F920	L865-N922 HydrophobicContact CD1-CB 4.32Å; F875-N922 HydrophobicContact CB-CB 3.94Å; F875-N922 VanDerWaalsContact CD1-CA 3.44Å; F875-N922 HydrophobicContact CD1-CB 3.72Å; F875-N922 HydrophobicContact CD2-CB 3.9Å; F875-N922 HydrophobicContact CE1-CB 4.05Å; F875-N922 HydrophobicContact CE2-CB 4.25Å; F875-N922 HydrophobicContact CG-CB 3.6Å; F875-N922 HydrophobicContact CZ-CB 4.3Å; N915-N922 PolarHBondContact O-ND2 2.64Å; S916-N922 WeakPolarHBondContact CA-O 3.48Å; S916-N922 WeakPolarHBondContact CB-O 3.41Å; C917-N922 PolarHBondContact N-OD1 3.46Å; C917-N922 VanDerWaalsContact N-OD1 3.1Å; C917-N922 PolarHBondContact SG-OD1 3.03Å; F920-N922 HydrophobicContact CB-CB 4.28Å; F920-N922 PolarHBondContact O-N 3.27Å
923	D	92	Very high	93.6	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-79.8	168.5	160.3	-48.5	-68.4	0	0	0	109.5	K873 F875 L925	K873-D923 IonicContact NZ-OD2 2.72Å; K873-D923 PolarHBondContact NZ-OD2 3.01Å; F875-D923 HydrophobicContact CE1-CB 4.37Å; F875-D923 WeakPolarHBondContact CE1-OD2 3.42Å; F875-D923 HydrophobicContact CZ-CB 4Å; F875-D923 WeakPolarHBondContact CZ-OD2 3.25Å; D923-L925 PolarHBondContact O-N 3.03Å
924	I	92.6	Very high	93.6	Very high	65 Å²	65	45.8 Å²	45.8	33%	0.333	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-57.9	127.6	170.2	-58.6	160.6	0	0	0	108.2	S926 K928 E929	I924-S926 WeakPolarHBondContact CG2-O 3.45Å; I924-K928 WeakPolarHBondContact CG2-O 3.45Å; I924-E929 HydrophobicContact CD1-CG 3.65Å; I924-E929 HydrophobicContact CG1-CG 4.23Å
925	L	92.6	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-77.1	-34.8	-173.9	-59	-179.8	0	0	0	112.8	F843 L865 T867 F875 L903 S914 D923	F843-L925 HydrophobicContact CB-CB 3.96Å; F843-L925 HydrophobicContact CD2-CB 3.92Å; F843-L925 HydrophobicContact CD2-CD1 4.25Å; F843-L925 HydrophobicContact CG-CB 3.95Å; L865-L925 HydrophobicContact CB-CD1 4.21Å; L865-L925 HydrophobicContact CB-CD2 4.27Å; L865-L925 HydrophobicContact CD1-CD1 4.3Å; L865-L925 HydrophobicContact CD2-CD1 4.43Å; T867-L925 WeakPolarHBondContact CB-O 3.35Å; T867-L925 HydrophobicContact CG2-CD2 4.3Å; T867-L925 PolarHBondContact OG1-O 2.87Å; F875-L925 HydrophobicContact CD2-CD2 3.85Å; F875-L925 HydrophobicContact CE2-CD2 3.56Å; L903-L925 HydrophobicContact CB-CD1 4.19Å; L903-L925 HydrophobicContact CD2-CD1 4.44Å; S914-L925 WeakPolarHBondContact OG-CG 3.47Å; S914-L925 PolarHBondContact OG-N 3.33Å; D923-L925 PolarHBondContact O-N 3.03Å
926	S	91.8	Very high	93.6	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.049	24%	0.243	C	C	.	.	S	Bend	trans	-89.6	173.8	177.5	38.5	0	0	0	0	112	I924 K928 F931	I924-S926 WeakPolarHBondContact CG2-O 3.45Å; S926-K928 WeakPolarHBondContact CB-O 3.46Å; S926-K928 PolarHBondContact O-N 2.86Å; S926-K928 PolarHBondContact OG-O 3.5Å; S926-F931 WeakPolarHBondContact OG-CD1 3.45Å
927	K	89.4	Confident	93.7	Very high	106 Å²	106	44.8 Å²	44.8	46%	0.461	23%	0.225	S	C	.	.	S	Bend	trans	-65.6	-20	174.1	-80.1	160.6	175.9	163.5	0	114.2	D839 Q841	D839-K927 HydrophobicContact CB-CD 3.79Å; D839-K927 PolarHBondContact O-NZ 2.83Å; D839-K927 WeakPolarHBondContact OD1-CD 3.35Å; D839-K927 IonicContact OD1-NZ 2.75Å; D839-K927 PolarHBondContact OD1-NZ 3.47Å; Q841-K927 VanDerWaalsContact CD-CE 3.48Å; Q841-K927 HydrophobicContact CG-CD 3.88Å; Q841-K927 HydrophobicContact CG-CG 3.96Å
928	K	91.6	Very high	93.8	Very high	123 Å²	123	44.5 Å²	44.5	54%	0.535	22%	0.223	S	C	.	.	S	Bend	trans	-142.5	160.7	-173.3	-57	177	-168.5	108.6	0	108.4	D839 I924 S926 D930	D839-K928 IonicContact OD2-NZ 2.73Å; D839-K928 PolarHBondContact OD2-NZ 2.83Å; I924-K928 WeakPolarHBondContact CG2-O 3.45Å; S926-K928 WeakPolarHBondContact CB-O 3.46Å; S926-K928 PolarHBondContact O-N 2.86Å; S926-K928 PolarHBondContact OG-O 3.5Å; K928-D930 WeakPolarHBondContact CB-O 3.43Å
929	E	93.3	Very high	93.9	Very high	86 Å²	86	43.1 Å²	43.1	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	-63.6	-49.1	176.9	-64.3	-160	135.3	0	0	111.7	R913 S914 N915 I924	R913-E929 CarbonylContact C-O 3.49Å; R913-E929 VanDerWaalsContact CA-O 3.24Å; R913-E929 WeakPolarHBondContact CA-O 3.41Å; S914-E929 PolarHBondContact N-O 3.07Å; S914-E929 WeakPolarHBondContact O-CA 3.35Å; N915-E929 PolarHBondContact ND2-OE1 3.3Å; N915-E929 PolarHBondContact ND2-OE2 3.36Å; I924-E929 HydrophobicContact CD1-CG 3.65Å; I924-E929 HydrophobicContact CG1-CG 4.23Å
930	D	95.6	Very high	93.9	Very high	91 Å²	91	43.1 Å²	43.1	49%	0.487	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.9	170.9	-64.4	-49.3	0	0	0	111	R913 K928	R913-D930 IonicContact CZ-OD1 2.71Å; R913-D930 IonicContact NE-OD1 2.69Å; R913-D930 PolarHBondContact NE-OD1 3.22Å; R913-D930 IonicContact NH2-OD1 3.43Å; R913-D930 PolarHBondContact NH2-OD1 3.43Å; R913-D930 IonicContact NH2-OD2 3.43Å; K928-D930 WeakPolarHBondContact CB-O 3.43Å
931	F	95.8	Very high	93.8	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.8	175.6	64.6	-95.7	0	0	0	111.7	I835 D837 F843 L903 L905 G912 S926 V933	I835-F931 HydrophobicContact CG2-CE2 4.04Å; D837-F931 HydrophobicContact CB-CB 4.26Å; D837-F931 HydrophobicContact CB-CD2 4.33Å; F843-F931 HydrophobicContact CE2-CD1 4.31Å; F843-F931 HydrophobicContact CE2-CD2 4.43Å; F843-F931 AromaticContact CE2-CE1 3.77Å; F843-F931 HydrophobicContact CE2-CE1 3.77Å; F843-F931 AromaticContact CE2-CE2 3.92Å; F843-F931 HydrophobicContact CE2-CE2 3.92Å; F843-F931 AromaticContact CE2-CZ 3.57Å; F843-F931 HydrophobicContact CE2-CZ 3.57Å; F843-F931 AromaticContact CZ-CD1 3.92Å; F843-F931 HydrophobicContact CZ-CD1 3.92Å; F843-F931 AromaticContact CZ-CD2 3.79Å; F843-F931 HydrophobicContact CZ-CD2 3.79Å; F843-F931 AromaticContact CZ-CE1 3.85Å; F843-F931 HydrophobicContact CZ-CE1 3.85Å; F843-F931 AromaticContact CZ-CE2 3.73Å; F843-F931 HydrophobicContact CZ-CE2 3.73Å; F843-F931 AromaticContact CZ-CG 3.9Å; F843-F931 HydrophobicContact CZ-CG 3.9Å; F843-F931 AromaticContact CZ-CZ 3.77Å; F843-F931 HydrophobicContact CZ-CZ 3.77Å; L903-F931 HydrophobicContact CD1-CE1 3.94Å; L903-F931 HydrophobicContact CD1-CZ 3.65Å; L905-F931 HydrophobicContact CD2-CE2 4.06Å; L905-F931 HydrophobicContact CD2-CZ 4.08Å; G912-F931 VanDerWaalsContact C-CE1 3.45Å; G912-F931 VanDerWaalsContact CA-CZ 3.5Å; G912-F931 PolarHBondContact N-O 3.03Å; G912-F931 PolarHBondContact O-N 2.87Å; G912-F931 VanDerWaalsContact O-O 3.13Å; S926-F931 WeakPolarHBondContact OG-CD1 3.45Å; F931-V933 HydrophobicContact CD2-CG2 4.32Å; F931-V933 HydrophobicContact CE2-CG2 3.86Å
932	I	96.5	Very high	93.1	Very high	68 Å²	68	42.6 Å²	42.6	35%	0.349	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.4	171.8	-60.7	174.8	0	0	0	107.5	D837 M838 Y910 Q934	D837-I932 CarbonylContact C-O 2.94Å; D837-I932 VanDerWaalsContact CA-O 3.31Å; D837-I932 WeakPolarHBondContact CA-O 3.44Å; D837-I932 WeakPolarHBondContact CB-O 3.49Å; M838-I932 HydrophobicContact CB-CB 4.35Å; M838-I932 HydrophobicContact CG-CB 3.98Å; M838-I932 HydrophobicContact CG-CG2 3.72Å; M838-I932 PolarHBondContact N-O 2.89Å; Y910-I932 HydrophobicContact CD1-CG2 4.45Å; Y910-I932 HydrophobicContact CD2-CG2 4.04Å; Y910-I932 HydrophobicContact CE1-CG2 3.98Å; Y910-I932 HydrophobicContact CE2-CG2 3.51Å; Y910-I932 HydrophobicContact CG-CG2 4.49Å; Y910-I932 VanDerWaalsContact CZ-CG2 3.48Å; Y910-I932 CarbonylContact O-C 3.36Å; Y910-I932 WeakPolarHBondContact O-CA 3.28Å; I932-Q934 PolarHBondContact O-N 3.34Å
933	V	96.2	Very high	93.2	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.3	174	178.6	0	0	0	0	108.6	I835 L905 L909 Y910 F931 L936	I835-V933 HydrophobicContact CG2-CG1 4.48Å; I835-V933 HydrophobicContact CG2-CG2 4.15Å; L905-V933 HydrophobicContact CD2-CG2 3.83Å; L909-V933 WeakPolarHBondContact O-CB 3.49Å; L909-V933 WeakPolarHBondContact O-CG2 3.32Å; Y910-V933 PolarHBondContact O-N 2.97Å; F931-V933 HydrophobicContact CD2-CG2 4.32Å; F931-V933 HydrophobicContact CE2-CG2 3.86Å; V933-L936 HydrophobicContact CG1-CB 4.03Å
934	Q	95	Very high	93.2	Very high	71 Å²	71	42.4 Å²	42.4	33%	0.332	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-54	162.9	175	166	89.9	0	0	109	K836 M838 I932	K836-Q934 VanDerWaalsContact CE-OE1 3.3Å; K836-Q934 WeakPolarHBondContact O-CB 3.3Å; K836-Q934 PolarHBondContact O-N 3Å; M838-Q934 HydrophobicContact CG-CB 4.26Å; M838-Q934 HydrophobicContact SD-CB 3.72Å; M838-Q934 HydrophobicContact SD-CG 4.06Å; I932-Q934 PolarHBondContact O-N 3.34Å
935	D	94.9	Very high	93.2	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.7	178.9	-86.3	-64.2	0	0	0	111.1	L782 T810 K836	L782-D935 HydrophobicContact CD1-CB 4Å; L782-D935 HydrophobicContact CD2-CB 3.53Å; L782-D935 HydrophobicContact CG-CB 4.34Å; T810-D935 WeakPolarHBondContact OG1-CA 3.36Å; T810-D935 PolarHBondContact OG1-OD1 2.99Å; K836-D935 PolarHBondContact N-O 3.11Å; K836-D935 PolarHBondContact O-N 3.31Å
936	L	95.8	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	-178.4	174.6	169.3	0	0	0	109.9	Y808 S809 T810 L820 L833 V834 I835 L905 L909 V933 V938	Y808-L936 HydrophobicContact CD1-CD2 3.95Å; Y808-L936 HydrophobicContact CE1-CD2 4.16Å; S809-L936 CarbonylContact C-O 3.02Å; S809-L936 WeakPolarHBondContact CA-O 3.24Å; T810-L936 HydrophobicContact CG2-CB 3.82Å; T810-L936 PolarHBondContact N-O 2.89Å; T810-L936 PolarHBondContact OG1-N 3.38Å; T810-L936 PolarHBondContact OG1-O 3.26Å; L820-L936 HydrophobicContact CD1-CD2 4.18Å; L833-L936 HydrophobicContact CD1-CD1 3.87Å; L833-L936 HydrophobicContact CD1-CD2 3.66Å; L833-L936 HydrophobicContact CD1-CG 3.62Å; V834-L936 CarbonylContact O-C 3.56Å; V834-L936 VanDerWaalsContact O-CA 3.3Å; V834-L936 WeakPolarHBondContact O-CA 3.28Å; I835-L936 HydrophobicContact CG1-CD1 4.18Å; I835-L936 HydrophobicContact CG1-CG 4.18Å; L905-L936 HydrophobicContact CD1-CD1 3.55Å; L909-L936 HydrophobicContact CB-CD1 4.41Å; L909-L936 HydrophobicContact CD1-CD1 4.46Å; L909-L936 HydrophobicContact CD2-CD1 4.27Å; V933-L936 HydrophobicContact CG1-CB 4.03Å; L936-V938 HydrophobicContact CD2-CG2 3.93Å
937	E	95.9	Very high	93.4	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.4	173.8	-66.5	175.1	159.7	0	0	110.9	S780 A781 L782 L806 Y808 V834 W939	S780-E937 VanDerWaalsContact OG-CD 3.26Å; S780-E937 PolarHBondContact OG-OE1 3.38Å; S780-E937 PolarHBondContact OG-OE2 2.84Å; A781-E937 PolarHBondContact N-OE1 3.05Å; L782-E937 HydrophobicContact CD1-CB 4.32Å; L782-E937 HydrophobicContact CD1-CG 3.75Å; L782-E937 HydrophobicContact CG-CG 4.03Å; L806-E937 HydrophobicContact CD1-CB 3.92Å; L806-E937 HydrophobicContact CD1-CG 4Å; Y808-E937 CarbonylContact O-C 3.59Å; Y808-E937 WeakPolarHBondContact O-CA 3.47Å; V834-E937 HydrophobicContact CB-CB 4.28Å; V834-E937 PolarHBondContact N-O 3.09Å; V834-E937 PolarHBondContact O-N 3.34Å; E937-W939 VanDerWaalsContact OE2-CZ2 3.32Å; E937-W939 WeakPolarHBondContact OE2-CZ2 3.27Å; E937-W939 PolarHBondContact OE2-NE1 2.98Å
938	V	95.6	Very high	93.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.5	168.4	-173.1	0	0	0	0	109	A807 Y808 L820 V831 L832 L833 F851 L936	A807-V938 PolarHBondContact N-O 3.47Å; Y808-V938 HydrophobicContact CD1-CG2 4.39Å; Y808-V938 PolarHBondContact N-O 2.81Å; Y808-V938 PolarHBondContact O-N 2.87Å; L820-V938 HydrophobicContact CD1-CG2 4.17Å; V831-V938 HydrophobicContact CB-CG1 3.77Å; V831-V938 HydrophobicContact CG1-CG1 4.3Å; V831-V938 HydrophobicContact CG2-CG1 4.04Å; L832-V938 WeakPolarHBondContact O-CA 3.35Å; L833-V938 HydrophobicContact CD1-CG2 3.99Å; F851-V938 HydrophobicContact CD2-CG1 4.26Å; F851-V938 HydrophobicContact CD2-CG2 4.47Å; F851-V938 HydrophobicContact CE2-CG1 4.04Å; F851-V938 HydrophobicContact CE2-CG2 4.27Å; L936-V938 HydrophobicContact CD2-CG2 3.93Å
939	W	94.7	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.9	-179.5	-63.1	87.2	0	0	0	111.4	L776 P778 S780 W804 R805 L806 V831 L832 E937	L776-W939 HydrophobicContact CB-CH2 4.39Å; L776-W939 HydrophobicContact CB-CZ3 4.18Å; L776-W939 HydrophobicContact CD2-CD2 4.14Å; L776-W939 HydrophobicContact CD2-CE3 3.86Å; L776-W939 HydrophobicContact CD2-CH2 3.79Å; L776-W939 HydrophobicContact CD2-CZ2 4.05Å; L776-W939 HydrophobicContact CD2-CZ3 3.67Å; L776-W939 HydrophobicContact CG-CZ3 4.49Å; P778-W939 WeakPolarHBondContact O-CH2 3.29Å; P778-W939 WeakPolarHBondContact O-CZ3 3.49Å; S780-W939 VanDerWaalsContact CB-CZ2 3.45Å; W804-W939 HydrophobicContact CB-CD2 4.47Å; W804-W939 HydrophobicContact CB-CE3 3.79Å; W804-W939 HydrophobicContact CB-CZ3 4.45Å; W804-W939 HydrophobicContact CE3-CB 4.41Å; W804-W939 HydrophobicContact CE3-CD2 4.47Å; W804-W939 HydrophobicContact CE3-CG 4.27Å; R805-W939 VanDerWaalsContact C-CE3 3.48Å; R805-W939 WeakPolarHBondContact O-CA 3.34Å; L806-W939 HydrophobicContact CB-CE3 4.16Å; L806-W939 HydrophobicContact CB-CH2 3.89Å; L806-W939 HydrophobicContact CB-CZ2 4.42Å; L806-W939 HydrophobicContact CB-CZ3 3.76Å; L806-W939 HydrophobicContact CD1-CD2 4.18Å; L806-W939 HydrophobicContact CD1-CE3 4.47Å; L806-W939 HydrophobicContact CD1-CH2 4Å; L806-W939 HydrophobicContact CD1-CZ2 3.66Å; L806-W939 HydrophobicContact CD1-CZ3 4.41Å; L806-W939 HydrophobicContact CG-CH2 4.41Å; V831-W939 CarbonylContact C-O 3.55Å; V831-W939 WeakPolarHBondContact CA-O 3.28Å; V831-W939 WeakPolarHBondContact CB-O 3.41Å; L832-W939 HydrophobicContact CB-CB 4.31Å; L832-W939 PolarHBondContact N-O 3.5Å; L832-W939 PolarHBondContact O-N 3.06Å; E937-W939 VanDerWaalsContact OE2-CZ2 3.32Å; E937-W939 WeakPolarHBondContact OE2-CZ2 3.27Å; E937-W939 PolarHBondContact OE2-NE1 2.98Å
940	A	93.7	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	158.8	173.5	0	0	0	0	0	110.7	R805 A807 L827 S829	R805-A940 PolarHBondContact N-O 3.02Å; R805-A940 PolarHBondContact O-N 3.46Å; A807-A940 HydrophobicContact CB-CB 4.22Å; L827-A940 HydrophobicContact CD1-CB 4.34Å; L827-A940 HydrophobicContact CD2-CB 4.08Å; S829-A940 WeakPolarHBondContact OG-CB 3.2Å
941	F	91.3	Very high	93.7	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.044	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	100	-178.3	-52.6	-82.9	0	0	0	109.5	L795 V799 W804 S829 P830 L832 Y846	L795-F941 HydrophobicContact CD1-CD1 4.44Å; L795-F941 HydrophobicContact CD1-CE1 3.46Å; L795-F941 VanDerWaalsContact CD1-CE1 3.46Å; L795-F941 HydrophobicContact CD1-CZ 3.65Å; L795-F941 HydrophobicContact CD2-CE1 4.5Å; L795-F941 HydrophobicContact CD2-CE2 4.48Å; L795-F941 HydrophobicContact CD2-CZ 3.84Å; L795-F941 HydrophobicContact CG-CZ 4.44Å; V799-F941 HydrophobicContact CB-CB 3.94Å; V799-F941 HydrophobicContact CB-CD1 4.05Å; V799-F941 HydrophobicContact CB-CD2 4.17Å; V799-F941 HydrophobicContact CB-CG 3.8Å; V799-F941 HydrophobicContact CG1-CB 3.78Å; V799-F941 HydrophobicContact CG1-CD2 3.9Å; V799-F941 HydrophobicContact CG1-CG 3.85Å; W804-F941 AromaticContact CD1-CD1 3.77Å; W804-F941 AromaticContact CD1-CE1 3.71Å; W804-F941 AromaticContact CD2-CE1 3.95Å; W804-F941 HydrophobicContact CD2-CE1 3.95Å; W804-F941 AromaticContact CE2-CE1 3.74Å; W804-F941 HydrophobicContact CG-CD1 4.28Å; W804-F941 HydrophobicContact CG-CE1 4Å; W804-F941 HydrophobicContact CZ2-CE1 4.36Å; W804-F941 AromaticContact NE1-CD1 3.95Å; W804-F941 AromaticContact NE1-CE1 3.55Å; S829-F941 VanDerWaalsContact CB-O 3.3Å; S829-F941 WeakPolarHBondContact CB-O 3.36Å; S829-F941 PolarHBondContact OG-N 3Å; P830-F941 HydrophobicContact CG-CD2 4.17Å; P830-F941 WeakPolarHBondContact O-CD2 3.24Å; L832-F941 HydrophobicContact CB-CE2 4.03Å; L832-F941 HydrophobicContact CB-CZ 3.78Å; L832-F941 HydrophobicContact CD2-CZ 4.34Å; Y846-F941 HydrophobicContact CD2-CE2 4.09Å; Y846-F941 HydrophobicContact CD2-CZ 4.49Å; Y846-F941 HydrophobicContact CE2-CD2 4.47Å; Y846-F941 AromaticContact CE2-CE2 3.81Å; Y846-F941 HydrophobicContact CE2-CE2 3.81Å; Y846-F941 HydrophobicContact CE2-CZ 4.45Å
942	E	79	Confident	93.5	Very high	112 Å²	112	28.3 Å²	28.3	52%	0.523	14%	0.138	S	C	.	.			trans	-146.4	0	-173.4	-71.7	179.9	-141.7	0	0	112.2	Y802 P803 R805	Y802-E942 WeakPolarHBondContact CD1-OXT 3.36Å; P803-E942 WeakPolarHBondContact CD-O 3.4Å; P803-E942 VanDerWaalsContact CG-O 3.27Å; P803-E942 WeakPolarHBondContact CG-O 3.37Å; R805-E942 IonicContact CZ-OE1 3.63Å; R805-E942 IonicContact CZ-OE2 3.36Å; R805-E942 VanDerWaalsContact CZ-OE2 3.29Å; R805-E942 VanDerWaalsContact NH1-CD 3.32Å; R805-E942 IonicContact NH1-OE1 3.77Å; R805-E942 IonicContact NH1-OE2 2.76Å; R805-E942 PolarHBondContact NH1-OE2 3.11Å; R805-E942 IonicContact NH2-OE1 2.73Å; R805-E942 PolarHBondContact NH2-OE1 3Å; R805-E942 IonicContact NH2-OE2 2.67Å; R805-E942 PolarHBondContact NH2-OE2 3.05Å

Retrieved 942 of 942 residues in 118.9 ms (Link to these results)

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