A0A5K4F8X4_SCHMA Loading...

CUB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8X4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,078 aa.

						>A0A5K4F8X4_SCHMA|A0A5K4F8X4
MLFSNLDKLIQFAMLIYTTDNFIRFVLISSFVTTNRLHLYENINHSSEYLKMNSFQRTDFKFSQKYEHIIGQRHHQQRSDIPTRLPSVQECISDQYNYSVTKGCLCHLFQSSGLSNGSFEFITNLHLNLSWNTTSNCIIYTFVGDLKEIVHVRLLEFSLPMKIRKTGSNKCTTQFKVYHQLERAELMNNDQPDYELCGQHLNQLPVHDFHSYGRVMIIELDEITKEKQKVIGFYEFLDRDAYQTDGLPIKATKCDQLFFSSSFITIQGDHNQQIWRRNNGLNQRHGELFSSHTKTDGKFFSPNYPRFYKASMLCKYYFLAHSNERIIIKLKNVQLWSYKSCHSTSQRDTIHFHEITTPLFDLNNSSFFQLGKIIQKPFVYELKKQLLFLCGDEEQTVIISDHRFIMLTLQTHVDSVGARGFEGVYQFLSREKLSYNQGDHDEKDIHKHIDRELFPDPTIKGFMNTEIDSSVQKKTIQQINHIWMNPSKLQGTIKSPNYPSAYPQNCRLLYTINIPKKRFLRLKFSDIQLGSNLPSTKCTQLVGDRIEIYEQNYLNNTPKLILCGTSVPQEQIMLNNKFEMHRVYIYFITDHITSTNELGFMLSYEYSTRNDYTENNNKLFLIRKDLSDKIDDVNSVGDDTCQFTITSYGKESNGFLHIPNNLIRTRKPSELNNCKWKLEGGYGQRIQIRFVRRLDNSQQTHQFQRSQITSSEVNDLVSNYMSDFIQYNQEFGGSIYKQKHQPDIYDIQEIESSFLKDLKCPTSMALELINYRADVLTTNNDFSRLLDNRLNPKFVSQQSYKSLNLNAFSTIQSSSSPLFTTDPVESTPLDPVRLCAGDFMTYSPASKGFMSGNIPRLDIVLKISQSRNGTNNNNNIINSDNNNINMKQNFRSIQYSDLGYDVQYKFVTDYGVIASSGNQRKPSCFFEFNHSQSITGNFSSPNYPGLYPIDIVCEYRFSGLNVRRIDIEFLEFDVESTSKTCSDDTMDDNVEISSCYPTDLLSTPRRRLCHKQNPVNPFRIHWHQPCLNLKFFSNGMYVRTGFFGVYEFHDFGQQGKKVNKLLVIFLCFTVNSLLFLVK
					

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(Predicted Aligned Error values between residue pairs)

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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	35.7	Very low	52.6	Low	226 Å²	226	135.7 Å²	135.7	100%	1.113	68%	0.684	S	S	*	*				0	-28.5	0	-76.6	-156.7	169.6	0	0	114.3	F3 S4	M1-F3 PolarHBondContact O-N 2.83Å; M1-S4 PolarHBondContact O-N 3.5Å
2	L	40.7	Very low	53.5	Low	164 Å²	164	136 Å²	136	86%	0.859	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-70.7	-18.5	-179.2	-87.7	146.7	0	0	0	116.2	S4	L2-S4 PolarHBondContact O-N 3.27Å
3	F	44.9	Very low	54.2	Low	209 Å²	209	130 Å²	130	92%	0.917	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-74.3	-9.8	174.6	-81.6	-81.5	0	0	0	114.5	M1	M1-F3 PolarHBondContact O-N 2.83Å
4	S	43.6	Very low	54.6	Low	81 Å²	81	129.3 Å²	129.3	57%	0.566	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-83	-7.8	-177.4	177.3	0	0	0	0	114.5	M1 L2	M1-S4 PolarHBondContact O-N 3.5Å; L2-S4 PolarHBondContact O-N 3.27Å
5	N	45.9	Very low	54.7	Low	91 Å²	91	127.5 Å²	127.5	49%	0.487	65%	0.65	S	S	.	*	S	Bend	trans	-108.7	-4.1	-171.9	-80.7	-18.5	0	0	0	114.9	D7 L9	N5-D7 VanDerWaalsContact C-N 3.34Å; N5-L9 PolarHBondContact O-N 3.23Å
6	L	58.5	Low	55	Low	126 Å²	126	125.4 Å²	125.4	66%	0.66	64%	0.639	S	S	*	*	H	α-helix	trans	-68.7	-37.9	175.6	-157.3	77.6	0	0	0	111.2	K8 L9 I10	L6-K8 VanDerWaalsContact C-N 3.35Å; L6-K8 PolarHBondContact O-N 2.79Å; L6-L9 PolarHBondContact O-N 3.39Å; L6-I10 HydrophobicContact CG-CD1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 2.74Å
7	D	61	Low	54.8	Low	109 Å²	109	128.2 Å²	128.2	58%	0.583	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-36.4	-179.4	-136.5	3.2	0	0	0	111.9	N5 L9 I10 Q11	N5-D7 VanDerWaalsContact C-N 3.34Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.41Å; D7-I10 PolarHBondContact O-N 3.31Å; D7-Q11 WeakPolarHBondContact O-CB 3.42Å; D7-Q11 WeakPolarHBondContact O-CG 3.39Å; D7-Q11 PolarHBondContact O-N 3.13Å
8	K	57.8	Low	54.7	Low	140 Å²	140	125.6 Å²	125.6	61%	0.609	63%	0.633	S	S	*	*	H	α-helix	trans	-67.3	-33.1	174	-70.9	-172.7	177.9	-179.4	0	112.5	L6 F12	L6-K8 VanDerWaalsContact C-N 3.35Å; L6-K8 PolarHBondContact O-N 2.79Å; K8-F12 VanDerWaalsContact O-CB 3.31Å; K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 2.88Å
9	L	61.4	Low	54.4	Low	127 Å²	127	122.4 Å²	122.4	67%	0.665	62%	0.621	S	S	*	*	H	α-helix	trans	-73.5	-38.1	178.3	-130.8	148.7	0	0	0	111.1	N5 L6 D7 F12 A13	N5-L9 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.39Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 2.73Å; L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 2.85Å
10	I	69.9	Low	54.3	Low	92 Å²	92	120.9 Å²	120.9	47%	0.472	61%	0.614	S	S	.	*	H	α-helix	trans	-67.1	-43.6	172.5	-64.7	166.8	0	0	0	110.5	L6 D7 F12 A13 M14	L6-I10 HydrophobicContact CG-CD1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 2.74Å; D7-I10 PolarHBondContact O-N 3.31Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 2.76Å; I10-A13 PolarHBondContact O-N 3.06Å; I10-M14 HydrophobicContact CG2-CG 4.41Å; I10-M14 WeakPolarHBondContact O-CB 2.83Å; I10-M14 WeakPolarHBondContact O-CG 3.28Å; I10-M14 PolarHBondContact O-N 3.44Å
11	Q	59.6	Low	53.9	Low	128 Å²	128	119.2 Å²	119.2	60%	0.598	61%	0.607	S	S	*	*	H	α-helix	trans	-63.9	-37.6	175.3	-76.5	-171.3	-5.4	0	0	112.5	D7 M14 L15	D7-Q11 WeakPolarHBondContact O-CB 3.42Å; D7-Q11 WeakPolarHBondContact O-CG 3.39Å; D7-Q11 PolarHBondContact O-N 3.13Å; Q11-M14 PolarHBondContact O-N 2.73Å; Q11-L15 WeakPolarHBondContact O-CB 3.46Å; Q11-L15 PolarHBondContact O-N 3.28Å
12	F	62.6	Low	54.3	Low	139 Å²	139	115.5 Å²	115.5	61%	0.61	59%	0.585	S	S	*	*	H	α-helix	trans	-67.9	-41.3	176.5	-160.1	-101.6	0	0	0	111.8	K8 L9 I10 M14 L15 I16	K8-F12 VanDerWaalsContact O-CB 3.31Å; K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 2.88Å; L9-F12 PolarHBondContact O-N 2.73Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 2.76Å; F12-M14 VanDerWaalsContact C-N 3.35Å; F12-M14 PolarHBondContact O-N 2.9Å; F12-L15 PolarHBondContact O-N 2.94Å; F12-I16 HydrophobicContact CD1-CD1 3.66Å; F12-I16 HydrophobicContact CD1-CG1 4.4Å; F12-I16 HydrophobicContact CE1-CD1 3.55Å; F12-I16 HydrophobicContact CE1-CG1 4.32Å; F12-I16 HydrophobicContact CZ-CD1 4.46Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 3.2Å
13	A	62.6	Low	54.5	Low	58 Å²	58	112.4 Å²	112.4	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-63.1	-40.5	173.8	0	0	0	0	0	111.9	L9 I10 I16 Y17	L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 2.85Å; I10-A13 PolarHBondContact O-N 3.06Å; A13-I16 PolarHBondContact O-N 3.44Å; A13-Y17 WeakPolarHBondContact O-CB 3.42Å; A13-Y17 PolarHBondContact O-N 3.12Å
14	M	60.9	Low	54.3	Low	120 Å²	120	110.2 Å²	110.2	59%	0.591	55%	0.554	S	S	*	*	H	α-helix	trans	-68.6	-35	175.5	-70.2	-72.5	-80	0	0	112.4	I10 Q11 F12 Y17 T18	I10-M14 HydrophobicContact CG2-CG 4.41Å; I10-M14 WeakPolarHBondContact O-CB 2.83Å; I10-M14 WeakPolarHBondContact O-CG 3.28Å; I10-M14 PolarHBondContact O-N 3.44Å; Q11-M14 PolarHBondContact O-N 2.73Å; F12-M14 VanDerWaalsContact C-N 3.35Å; F12-M14 PolarHBondContact O-N 2.9Å; M14-Y17 PolarHBondContact O-N 2.86Å; M14-T18 WeakPolarHBondContact O-CB 3.22Å; M14-T18 VanDerWaalsContact O-CG2 3.31Å; M14-T18 WeakPolarHBondContact O-CG2 3.02Å; M14-T18 PolarHBondContact O-N 2.96Å; M14-T18 PolarHBondContact O-OG1 2.75Å
15	L	55.6	Low	54.1	Low	103 Å²	103	114.3 Å²	114.3	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-69.3	-39.3	176.2	-162.6	75.4	0	0	0	111.5	Q11 F12 T18 T19	Q11-L15 WeakPolarHBondContact O-CB 3.46Å; Q11-L15 PolarHBondContact O-N 3.28Å; F12-L15 PolarHBondContact O-N 2.94Å; L15-T18 WeakPolarHBondContact CA-OG1 3.18Å; L15-T18 PolarHBondContact O-N 3.11Å; L15-T18 PolarHBondContact O-OG1 2.87Å; L15-T18 VanDerWaalsContact O-OG1 3.14Å; L15-T19 HydrophobicContact CG-CG2 4.47Å; L15-T19 WeakPolarHBondContact O-CB 3.31Å; L15-T19 VanDerWaalsContact O-CG2 3.25Å; L15-T19 WeakPolarHBondContact O-CG2 3.37Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 2.98Å
16	I	59.2	Low	53.9	Low	94 Å²	94	113.3 Å²	113.3	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-64.7	-43	173.1	-66.9	168.9	0	0	0	110.2	F12 A13 T18 T19 D20	F12-I16 HydrophobicContact CD1-CD1 3.66Å; F12-I16 HydrophobicContact CD1-CG1 4.4Å; F12-I16 HydrophobicContact CE1-CD1 3.55Å; F12-I16 HydrophobicContact CE1-CG1 4.32Å; F12-I16 HydrophobicContact CZ-CD1 4.46Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 3.2Å; A13-I16 PolarHBondContact O-N 3.44Å; I16-T18 VanDerWaalsContact C-N 3.32Å; I16-T18 PolarHBondContact O-N 2.73Å; I16-T19 WeakPolarHBondContact CA-OG1 3.09Å; I16-T19 PolarHBondContact O-N 3.24Å; I16-T19 PolarHBondContact O-OG1 3.27Å; I16-D20 WeakPolarHBondContact O-CB 3.37Å; I16-D20 PolarHBondContact O-N 2.8Å
17	Y	51.1	Low	52.9	Low	173 Å²	173	112.1 Å²	112.1	68%	0.678	55%	0.553	S	S	*	*	H	α-helix	trans	-69	-30.1	-178.9	-146.6	-91.4	0	0	0	113.3	A13 M14 N21	A13-Y17 WeakPolarHBondContact O-CB 3.42Å; A13-Y17 PolarHBondContact O-N 3.12Å; M14-Y17 PolarHBondContact O-N 2.86Å; Y17-N21 PolarHBondContact O-ND2 3.47Å
18	T	53.2	Low	51.9	Low	80 Å²	80	113.3 Å²	113.3	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-82.5	-36.7	176.1	48.8	0	0	0	0	112.3	M14 L15 I16 N21 F22	M14-T18 WeakPolarHBondContact O-CB 3.22Å; M14-T18 VanDerWaalsContact O-CG2 3.31Å; M14-T18 WeakPolarHBondContact O-CG2 3.02Å; M14-T18 PolarHBondContact O-N 2.96Å; M14-T18 PolarHBondContact O-OG1 2.75Å; L15-T18 WeakPolarHBondContact CA-OG1 3.18Å; L15-T18 PolarHBondContact O-N 3.11Å; L15-T18 PolarHBondContact O-OG1 2.87Å; L15-T18 VanDerWaalsContact O-OG1 3.14Å; I16-T18 VanDerWaalsContact C-N 3.32Å; I16-T18 PolarHBondContact O-N 2.73Å; T18-N21 PolarHBondContact O-N 2.71Å; T18-F22 WeakPolarHBondContact O-CB 3.3Å; T18-F22 PolarHBondContact O-N 3.46Å
19	T	50	Low	50.8	Low	65 Å²	65	110.5 Å²	110.5	40%	0.399	56%	0.556	S	S	.	*	H	α-helix	trans	-70.2	-37.4	176.8	50.7	0	0	0	0	112.6	L15 I16 N21 F22 I23	L15-T19 HydrophobicContact CG-CG2 4.47Å; L15-T19 WeakPolarHBondContact O-CB 3.31Å; L15-T19 VanDerWaalsContact O-CG2 3.25Å; L15-T19 WeakPolarHBondContact O-CG2 3.37Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 2.98Å; I16-T19 WeakPolarHBondContact CA-OG1 3.09Å; I16-T19 PolarHBondContact O-N 3.24Å; I16-T19 PolarHBondContact O-OG1 3.27Å; T19-N21 VanDerWaalsContact C-N 3.34Å; T19-N21 PolarHBondContact O-N 2.86Å; T19-F22 PolarHBondContact O-N 3.25Å; T19-I23 WeakPolarHBondContact O-CB 3.35Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.24Å; T19-I23 PolarHBondContact O-N 3.3Å
20	D	50.9	Low	49.5	Very low	92 Å²	92	107.6 Å²	107.6	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-35.8	176.4	-162.9	28.7	0	0	0	111.8	I16 R24	I16-D20 WeakPolarHBondContact O-CB 3.37Å; I16-D20 PolarHBondContact O-N 2.8Å; D20-R24 WeakPolarHBondContact O-CB 3.32Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 2.98Å; D20-R24 VanDerWaalsContact O-N 3.09Å
21	N	46.3	Very low	47.6	Very low	86 Å²	86	111.5 Å²	111.5	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-73.1	-33.6	173.1	-79.9	-49.8	0	0	0	113	Y17 T18 T19 F25	Y17-N21 PolarHBondContact O-ND2 3.47Å; T18-N21 PolarHBondContact O-N 2.71Å; T19-N21 VanDerWaalsContact C-N 3.34Å; T19-N21 PolarHBondContact O-N 2.86Å; N21-F25 WeakPolarHBondContact O-CB 3.3Å; N21-F25 PolarHBondContact O-N 3.41Å
22	F	43.8	Very low	46.2	Very low	148 Å²	148	111.4 Å²	111.4	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-73.4	-37.8	177.2	-148.7	-94.6	0	0	0	111.8	T18 T19 R24 F25 V26	T18-F22 WeakPolarHBondContact O-CB 3.3Å; T18-F22 PolarHBondContact O-N 3.46Å; T19-F22 PolarHBondContact O-N 3.25Å; F22-R24 VanDerWaalsContact C-N 3.34Å; F22-F25 PolarHBondContact O-N 3.13Å; F22-V26 HydrophobicContact CD1-CG2 3.76Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 WeakPolarHBondContact O-CB 2.92Å; F22-V26 VanDerWaalsContact O-CG2 3.3Å; F22-V26 WeakPolarHBondContact O-CG2 3.35Å; F22-V26 PolarHBondContact O-N 3.08Å
23	I	45.8	Very low	44.6	Very low	99 Å²	99	110.5 Å²	110.5	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-65.5	-39.3	173.6	-67.7	166.9	0	0	0	110.1	T19 L27	T19-I23 WeakPolarHBondContact O-CB 3.35Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.24Å; T19-I23 PolarHBondContact O-N 3.3Å; I23-L27 HydrophobicContact CG2-CD1 3.66Å; I23-L27 HydrophobicContact CG2-CG 4.42Å; I23-L27 WeakPolarHBondContact O-CB 3.26Å; I23-L27 WeakPolarHBondContact O-CD1 3.38Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.36Å; I23-L27 VanDerWaalsContact O-N 3.07Å
24	R	41.3	Very low	43	Very low	164 Å²	164	113.6 Å²	113.6	62%	0.619	59%	0.587	S	S	*	*	H	α-helix	trans	-64.8	-35.9	171.7	-78.8	-179.5	177.8	-135	-1.6	113.1	D20 F22 I28	D20-R24 WeakPolarHBondContact O-CB 3.32Å; D20-R24 WeakPolarHBondContact O-CG 3.42Å; D20-R24 PolarHBondContact O-N 2.98Å; D20-R24 VanDerWaalsContact O-N 3.09Å; F22-R24 VanDerWaalsContact C-N 3.34Å; R24-I28 VanDerWaalsContact O-CD1 3.26Å; R24-I28 WeakPolarHBondContact O-CD1 3.44Å; R24-I28 WeakPolarHBondContact O-CG1 3.1Å; R24-I28 PolarHBondContact O-N 3.14Å
25	F	39.5	Very low	41.4	Very low	166 Å²	166	116 Å²	116	73%	0.728	60%	0.602	S	S	*	*	H	α-helix	trans	-74.8	-39.5	178.8	-127.3	-90.9	0	0	0	112.7	N21 F22 S29	N21-F25 WeakPolarHBondContact O-CB 3.3Å; N21-F25 PolarHBondContact O-N 3.41Å; F22-F25 PolarHBondContact O-N 3.13Å; F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 PolarHBondContact O-OG 3.34Å
26	V	40.7	Very low	39.9	Very low	70 Å²	70	122.8 Å²	122.8	42%	0.424	62%	0.621	S	S	.	*	H	α-helix	trans	-70.7	-41.7	-179.9	174.3	0	0	0	0	111	F22 I28 S29 S30	F22-V26 HydrophobicContact CD1-CG2 3.76Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 WeakPolarHBondContact O-CB 2.92Å; F22-V26 VanDerWaalsContact O-CG2 3.3Å; F22-V26 WeakPolarHBondContact O-CG2 3.35Å; F22-V26 PolarHBondContact O-N 3.08Å; V26-I28 VanDerWaalsContact C-N 3.3Å; V26-I28 PolarHBondContact O-N 3.11Å; V26-S29 PolarHBondContact O-N 3.43Å; V26-S29 VanDerWaalsContact O-N 3.17Å; V26-S29 PolarHBondContact O-OG 3.34Å; V26-S30 PolarHBondContact O-N 3.13Å; V26-S30 PolarHBondContact O-OG 3.09Å
27	L	37.4	Very low	38.2	Very low	101 Å²	101	125.8 Å²	125.8	53%	0.529	64%	0.637	S	S	.	*	H	α-helix	trans	-67.3	-26.7	178.9	-73.9	168.5	0	0	0	113.9	I23	I23-L27 HydrophobicContact CG2-CD1 3.66Å; I23-L27 HydrophobicContact CG2-CG 4.42Å; I23-L27 WeakPolarHBondContact O-CB 3.26Å; I23-L27 WeakPolarHBondContact O-CD1 3.38Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.36Å; I23-L27 VanDerWaalsContact O-N 3.07Å
28	I	40	Very low	36.9	Very low	135 Å²	135	125.4 Å²	125.4	69%	0.692	64%	0.641	S	S	*	*	H	α-helix	trans	-81	-25.6	176	-64.6	170	0	0	0	111.2	R24 V26	R24-I28 VanDerWaalsContact O-CD1 3.26Å; R24-I28 WeakPolarHBondContact O-CD1 3.44Å; R24-I28 WeakPolarHBondContact O-CG1 3.1Å; R24-I28 PolarHBondContact O-N 3.14Å; V26-I28 VanDerWaalsContact C-N 3.3Å; V26-I28 PolarHBondContact O-N 3.11Å
29	S	35.9	Very low	35.7	Very low	81 Å²	81	130.1 Å²	130.1	57%	0.566	66%	0.662	S	S	*	*	H	α-helix	trans	-85.8	-17.1	179.1	69	0	0	0	0	115	F25 V26	F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 PolarHBondContact O-OG 3.34Å; V26-S29 PolarHBondContact O-N 3.43Å; V26-S29 VanDerWaalsContact O-N 3.17Å; V26-S29 PolarHBondContact O-OG 3.34Å
30	S	34.2	Very low	34.3	Very low	66 Å²	66	136 Å²	136	46%	0.462	68%	0.679	S	S	.	*	S	Bend	trans	-96	4.4	-178.6	59.7	0	0	0	0	115.4	V26	V26-S30 PolarHBondContact O-N 3.13Å; V26-S30 PolarHBondContact O-OG 3.09Å
31	F	28.6	Very low	32.9	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	69%	0.687	S	S	*	*	S	Bend	trans	-111.9	10.4	-178.7	-98.3	-80.1	0	0	0	115.8
32	V	30.5	Very low	31.9	Very low	127 Å²	127	140.8 Å²	140.8	77%	0.77	70%	0.699	S	S	*	*	S	Bend	trans	-122	2.3	179.2	-173.7	0	0	0	0	113.9
33	T	29.4	Very low	31	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	70%	0.7	S	S	*	*			trans	-103.2	58	175.5	52.2	0	0	0	0	113.1
34	T	28.1	Very low	29.9	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	71%	0.709	S	S	*	*	S	Bend	trans	-157.5	80	160.3	33.2	0	0	0	0	108.6
35	N	27.1	Very low	29	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	72%	0.721	S	S	*	*			trans	177.4	70.1	149.5	-88.5	-20.8	0	0	0	108.2
36	R	24	Very low	28.3	Very low	244 Å²	244	140 Å²	140	92%	0.921	73%	0.725	S	S	*	*			trans	-129.9	93.9	165	-112.4	-170.4	178.5	-170.6	0.1	106.8
37	L	24	Very low	27.7	Very low	158 Å²	158	141.9 Å²	141.9	83%	0.827	74%	0.741	S	S	*	*			trans	-155.5	129.6	159.8	-106.1	139	0	0	0	107.6
38	H	23.7	Very low	27.1	Very low	164 Å²	164	146.1 Å²	146.1	76%	0.759	76%	0.758	S	S	*	*			trans	69.5	88.8	174.3	-76.4	-85.3	0	0	0	118
39	L	27.7	Very low	26.4	Very low	180 Å²	180	149.9 Å²	149.9	94%	0.942	77%	0.765	S	S	*	*				-162.5	112.8	108.4	-96.9	153	0	0	0	108.6
40	Y	21.9	Very low	26	Very low	189 Å²	189	154.4 Å²	154.4	74%	0.741	78%	0.782	S	S	*	*			trans	-82.5	146.8	-176.3	-124.8	-110.4	0	0	0	110
41	E	21.7	Very low	25.4	Very low	141 Å²	141	161.2 Å²	161.2	66%	0.659	80%	0.803	S	S	*	*			trans	40.8	117.1	143.5	-67.8	177.4	173	0	0	120.2
42	N	24.9	Very low	25.4	Very low	136 Å²	136	162.1 Å²	162.1	73%	0.727	81%	0.812	S	S	*	*				178	129.5	102.4	-97.2	-33.9	0	0	0	115.2
43	I	24.2	Very low	25.3	Very low	130 Å²	130	163.5 Å²	163.5	67%	0.667	82%	0.815	S	S	*	*				92.4	104.6	129.6	-66.7	168.9	0	0	0	120.6
44	N	23.5	Very low	25.3	Very low	131 Å²	131	163.2 Å²	163.2	70%	0.701	82%	0.818	S	S	*	*				78.8	102.6	128.7	-66.1	-4.7	0	0	0	122.8
45	H	22.1	Very low	25.3	Very low	186 Å²	186	166.1 Å²	166.1	86%	0.861	82%	0.82	S	S	*	*				31	104.9	112.1	-76.3	-81.9	0	0	0	118.4
46	S	24.8	Very low	25.3	Very low	115 Å²	115	167.3 Å²	167.3	80%	0.804	82%	0.82	S	S	*	*			trans	-160.2	140.6	130.4	48.5	0	0	0	0	112.3
47	S	28.6	Very low	25.4	Very low	109 Å²	109	167.1 Å²	167.1	76%	0.762	82%	0.82	S	S	*	*			trans	80.7	94.9	171.6	77.2	0	0	0	0	118.7	Y49	S47-Y49 PolarHBondContact O-N 2.04Å; S47-Y49 VanDerWaalsContact O-N 3.12Å
48	E	24.1	Very low	25.6	Very low	190 Å²	190	165.2 Å²	165.2	89%	0.888	82%	0.815	S	S	*	*			trans	-61.1	92.6	157.6	-67.8	175.9	127.6	0	0	110.8
49	Y	25.2	Very low	25.7	Very low	213 Å²	213	165 Å²	165	84%	0.835	82%	0.819	S	S	*	*			trans	-147	48	165.5	-90.4	-75.4	0	0	0	111.9	S47	S47-Y49 PolarHBondContact O-N 2.04Å; S47-Y49 VanDerWaalsContact O-N 3.12Å
50	L	27.1	Very low	25.5	Very low	176 Å²	176	165.8 Å²	165.8	92%	0.921	82%	0.815	S	S	*	*			trans	-142.3	80.5	167.7	-74.2	175	0	0	0	110.8
51	K	22.9	Very low	25.7	Very low	209 Å²	209	166.1 Å²	166.1	91%	0.909	82%	0.82	S	S	*	*			trans	-120.2	89.1	152.6	-84.1	-175.9	178.5	174	0	108.1
52	M	27.6	Very low	25.9	Very low	192 Å²	192	169.7 Å²	169.7	95%	0.946	83%	0.834	S	S	*	*			trans	-136.2	144.4	158.2	-93.2	-164.3	172.7	0	0	110.8
53	N	28.4	Very low	25.8	Very low	156 Å²	156	168.7 Å²	168.7	83%	0.834	84%	0.838	S	S	*	*			trans	-75.2	159.3	-151.9	-74.2	-36	0	0	0	115.9	F55	N53-F55 VanDerWaalsContact C-N 3.3Å; N53-F55 PolarHBondContact O-N 2.82Å
54	S	29.7	Very low	25.9	Very low	113 Å²	113	172.1 Å²	172.1	79%	0.79	85%	0.851	S	S	*	*	S	Bend	trans	-74.2	36.4	-168.8	56.4	0	0	0	0	117.1
55	F	28.5	Very low	26	Very low	185 Å²	185	175.2 Å²	175.2	81%	0.811	86%	0.858	S	S	*	*			trans	-105.3	12.7	-176.9	-99.5	-78.1	0	0	0	116.6	N53	N53-F55 VanDerWaalsContact C-N 3.3Å; N53-F55 PolarHBondContact O-N 2.82Å
56	Q	27.1	Very low	26.1	Very low	196 Å²	196	177.6 Å²	177.6	92%	0.916	86%	0.861	S	S	*	*	S	Bend	trans	-117.6	28.2	176.6	-72.1	-172.1	-20.6	0	0	114.7
57	R	26.5	Very low	26.1	Very low	241 Å²	241	180.9 Å²	180.9	91%	0.909	86%	0.864	S	S	*	*			trans	-101.7	12.1	178.6	-100.8	-174.1	-175.4	179.8	2.9	115.8
58	T	27.6	Very low	26	Very low	118 Å²	118	184.8 Å²	184.8	72%	0.724	87%	0.87	S	S	*	*			trans	-128.8	56.6	-175.4	52.1	0	0	0	0	112.7
59	D	24.8	Very low	26.2	Very low	159 Å²	159	183.6 Å²	183.6	85%	0.85	87%	0.868	S	S	*	*	S	Bend	trans	-151.7	62.1	160.2	-86.9	-35.6	0	0	0	109.6
60	F	24.3	Very low	26.2	Very low	197 Å²	197	181.5 Å²	181.5	86%	0.864	87%	0.869	S	S	*	*			trans	-154.5	50.2	169.5	-127.5	-80.7	0	0	0	111.7
61	K	25.8	Very low	26.2	Very low	195 Å²	195	176 Å²	176	85%	0.848	86%	0.856	S	S	*	*			trans	-148	57.5	172.5	-78.7	-163.8	178.1	178.3	0	113
62	F	25.7	Very low	26.2	Very low	217 Å²	217	175.1 Å²	175.1	95%	0.952	86%	0.855	S	S	*	*	S	Bend	trans	-151	79.4	161.2	-94.9	-79.5	0	0	0	109.8
63	S	24.2	Very low	26.2	Very low	115 Å²	115	177.4 Å²	177.4	80%	0.804	85%	0.853	S	S	*	*	S	Bend	trans	176.7	66.3	153.2	179	0	0	0	0	110.7
64	Q	25.1	Very low	26.1	Very low	201 Å²	201	178.1 Å²	178.1	94%	0.939	85%	0.851	S	S	*	*			trans	-149.3	51.9	164.5	-80.3	-165.2	-15.8	0	0	111
65	K	25.9	Very low	26	Very low	197 Å²	197	181.2 Å²	181.2	86%	0.857	85%	0.852	S	S	*	*			trans	-128.6	19.5	177.5	-138.1	-179.9	-176.6	-178.1	0	115.9
66	Y	23.9	Very low	26	Very low	235 Å²	235	181.8 Å²	181.8	92%	0.922	86%	0.857	S	S	*	*	S	Bend	trans	-134.3	49.7	176	-88.9	-79	0	0	0	112.9
67	E	25.6	Very low	26.1	Very low	184 Å²	184	181.4 Å²	181.4	86%	0.86	86%	0.856	S	S	*	*			trans	-149.6	81.4	159.3	-78.2	-162.9	158.1	0	0	108.6
68	H	25.8	Very low	25.9	Very low	191 Å²	191	180.5 Å²	180.5	88%	0.884	85%	0.852	S	S	*	*			trans	-164.9	41.6	163.9	-112.3	-67.1	0	0	0	113.2
69	I	27.4	Very low	26.1	Very low	165 Å²	165	179.7 Å²	179.7	85%	0.846	85%	0.851	S	S	*	*	S	Bend	trans	-142.7	89.8	161	-53.4	178	0	0	0	107.6
70	I	26.9	Very low	26.3	Very low	169 Å²	169	179 Å²	179	87%	0.867	85%	0.848	S	S	*	*			trans	179.6	103.6	140.6	-84.8	148.9	0	0	0	104.6
71	G	25.8	Very low	26.8	Very low	62 Å²	62	176.5 Å²	176.5	64%	0.639	84%	0.842	S	S	*	*			trans	-75.3	151.7	175.6	0	0	0	0	0	112
72	Q	24.3	Very low	27.2	Very low	189 Å²	189	173 Å²	173	88%	0.883	84%	0.839	S	S	*	*			trans	39.5	103	139.7	-60.3	-176.6	-8.5	0	0	117.3
73	R	27	Very low	28	Very low	241 Å²	241	168.5 Å²	168.5	91%	0.909	83%	0.829	S	S	*	*				-174.9	119.9	129	-100.7	163.8	-164.3	-159.4	5.7	111.5
74	H	26.2	Very low	29.5	Very low	170 Å²	170	172.9 Å²	172.9	79%	0.787	83%	0.829	S	S	*	*			trans	35.5	118.7	148.2	-70.8	-74.8	0	0	0	121.5
75	H	27.2	Very low	31.1	Very low	179 Å²	179	168.2 Å²	168.2	83%	0.829	81%	0.809	S	S	*	*			trans	15.8	102.1	137.2	-69.5	-72.7	0	0	0	117.8
76	Q	29.8	Very low	32.7	Very low	196 Å²	196	159.6 Å²	159.6	92%	0.916	77%	0.773	S	S	*	*				-163.2	99.6	127.4	-104.8	168.7	8.4	0	0	108.2
77	Q	27.2	Very low	34.8	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	74%	0.736	S	S	*	*			trans	-70.8	122.4	167.6	-72.3	176.5	-21.9	0	0	108.8
78	R	24.2	Very low	36.5	Very low	221 Å²	221	144.2 Å²	144.2	83%	0.834	72%	0.717	S	S	*	*			trans	156.9	82.9	136.9	-88.7	179.3	-177.3	-175.6	0	108.3
79	S	30.1	Very low	38.3	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	71%	0.711	S	S	*	*			trans	-93.1	97	151.1	56.6	0	0	0	0	106.2	I81	S79-I81 PolarHBondContact O-N 2.89Å
80	D	30.1	Very low	40.2	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	69%	0.687	S	S	*	*			trans	-57.3	111.5	164	-66.1	-46.7	0	0	0	107.7
81	I	33.4	Very low	42.3	Very low	144 Å²	144	130.6 Å²	130.6	74%	0.738	65%	0.647	S	S	*	*			trans	-110.8	124.9	171.5	-59.9	172.6	0	0	0	106.7	S79 T83	S79-I81 PolarHBondContact O-N 2.89Å; I81-T83 PolarHBondContact O-N 2.78Å
82	P	34.7	Very low	44.3	Very low	121 Å²	121	129.4 Å²	129.4	79%	0.786	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-76.3	128.9	-164.6	-10.2	26.7	0	0	0	112.5	R84	P82-R84 PolarHBondContact O-N 3.26Å
83	T	43.2	Very low	46.2	Very low	122 Å²	122	123.9 Å²	123.9	75%	0.748	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-64	116.7	164.9	39.6	0	0	0	0	109.8	I81	I81-T83 PolarHBondContact O-N 2.78Å
84	R	56.2	Low	48	Very low	208 Å²	208	116.9 Å²	116.9	79%	0.785	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-86	122.2	176.4	-172	-173.7	162.7	174.8	-5.2	109.6	P82	P82-R84 PolarHBondContact O-N 3.26Å
85	L	57.5	Low	50	Low	102 Å²	102	108.8 Å²	108.8	53%	0.534	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58.1	152.3	168.3	-72.4	156.5	0	0	0	110.8	V100	L85-V100 HydrophobicContact CD2-CG1 4.21Å; L85-V100 HydrophobicContact CD2-CG2 4.32Å
86	P	59.7	Low	52.1	Low	16 Å²	16	103.1 Å²	103.1	10%	0.104	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-53.8	148.2	169.5	25.9	-34.2	0	0	0	109.5	Y96	P86-Y96 WeakPolarHBondContact O-CE2 3.28Å
87	S	67.8	Low	54.2	Low	19 Å²	19	98.8 Å²	98.8	13%	0.133	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-86.3	158.7	177	60.4	0	0	0	0	112.1	Q89 E90 C91	S87-Q89 PolarHBondContact O-N 3.1Å; S87-Q89 VanDerWaalsContact O-N 3.12Å; S87-E90 PolarHBondContact N-OE2 2.68Å; S87-E90 PolarHBondContact O-N 2.74Å; S87-E90 VanDerWaalsContact OG-CD 3.23Å; S87-E90 VanDerWaalsContact OG-CG 3.28Å; S87-E90 WeakPolarHBondContact OG-CG 3.02Å; S87-E90 PolarHBondContact OG-N 2.76Å; S87-E90 PolarHBondContact OG-OE2 3.42Å; S87-C91 PolarHBondContact O-N 3.33Å; S87-C91 VanDerWaalsContact O-N 3.11Å
88	V	62	Low	56.6	Low	77 Å²	77	90.7 Å²	90.7	47%	0.467	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.9	171.5	-178.4	0	0	0	0	112.1	C91 Y96	V88-C91 CarbonylContact C-O 3.52Å; V88-C91 VanDerWaalsContact C-O 3.32Å; V88-Y96 HydrophobicContact CG2-CD2 4.06Å; V88-Y96 HydrophobicContact CG2-CE2 4.02Å
89	Q	63.8	Low	59.1	Low	160 Å²	160	80.2 Å²	80.2	75%	0.748	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-26.7	172.3	-72.3	78.7	6.8	0	0	112.5	S87	S87-Q89 PolarHBondContact O-N 3.1Å; S87-Q89 VanDerWaalsContact O-N 3.12Å
90	E	67.2	Low	61.2	Low	77 Å²	77	77.9 Å²	77.9	36%	0.36	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-30.3	178.6	-74.7	160.7	155.1	0	0	112.4	S87 C106 L108	S87-E90 PolarHBondContact N-OE2 2.68Å; S87-E90 PolarHBondContact O-N 2.74Å; S87-E90 VanDerWaalsContact OG-CD 3.23Å; S87-E90 VanDerWaalsContact OG-CG 3.28Å; S87-E90 WeakPolarHBondContact OG-CG 3.02Å; S87-E90 PolarHBondContact OG-N 2.76Å; S87-E90 PolarHBondContact OG-OE2 3.42Å; E90-C106 VanDerWaalsContact O-CB 3.29Å; E90-C106 WeakPolarHBondContact O-CB 3.23Å; E90-L108 PolarHBondContact O-N 3.3Å
91	C	70.6	Confident	63.2	Low	2 Å²	2	75.9 Å²	75.9	1%	0.014	40%	0.403	C	S	.	.	S	Bend	trans	-111.6	154.8	170.4	-50.7	0	0	0	0	109.9	S87 V88 Q95 S99 C106	S87-C91 PolarHBondContact O-N 3.33Å; S87-C91 VanDerWaalsContact O-N 3.11Å; V88-C91 CarbonylContact C-O 3.52Å; V88-C91 VanDerWaalsContact C-O 3.32Å; C91-Q95 HydrophobicContact CB-CG 4.47Å; C91-S99 PolarHBondContact SG-OG 3.19Å; C91-C106 HydrophobicContact CB-CB 3.75Å; C91-C106 WeakPolarHBondContact CB-SG 3.44Å; C91-C106 WeakPolarHBondContact SG-CB 3.5Å; C91-C106 CovalentContact SG-SG 2.04Å; C91-C106 PolarHBondContact SG-SG 2.78Å
92	I	67.9	Low	65.3	Low	38 Å²	38	72.6 Å²	72.6	20%	0.195	38%	0.383	C	S	.	.			trans	-66	145.2	164.4	-63.8	173.1	0	0	0	109.1	D94 Q95 Y96 L108 T141 V143 A184	I92-D94 PolarHBondContact O-N 3.46Å; I92-Q95 HydrophobicContact CB-CB 4.16Å; I92-Q95 WeakPolarHBondContact O-CB 3.09Å; I92-Q95 PolarHBondContact O-N 3.32Å; I92-Y96 PolarHBondContact O-N 2.74Å; I92-L108 HydrophobicContact CD1-CD1 3.89Å; I92-L108 HydrophobicContact CG1-CD1 3.94Å; I92-L108 HydrophobicContact CG1-CD2 3.89Å; I92-T141 HydrophobicContact CD1-CG2 4.1Å; I92-V143 HydrophobicContact CD1-CG2 4.02Å; I92-A184 HydrophobicContact CD1-CB 3.28Å
93	S	65.4	Low	67.2	Low	73 Å²	73	68.1 Å²	68.1	51%	0.51	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-40.9	-175.3	-176.6	0	0	0	0	113.9	Y96	S93-Y96 WeakPolarHBondContact O-CB 3.41Å
94	D	63.5	Low	69.1	Low	93 Å²	93	62.3 Å²	62.3	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-30.6	-177.8	-67	-35.9	0	0	0	112.9	I92 Y96 E185	I92-D94 PolarHBondContact O-N 3.46Å; D94-Y96 PolarHBondContact O-N 3.47Å; D94-E185 HydrophobicContact CB-CG 3.74Å; D94-E185 WeakPolarHBondContact CB-OE1 3.46Å; D94-E185 WeakPolarHBondContact CB-OE2 3.42Å
95	Q	69.2	Low	70.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-26.5	170.2	178.4	65.9	45.8	0	0	111.8	C91 I92 N97 Y98 S99 E185	C91-Q95 HydrophobicContact CB-CG 4.47Å; I92-Q95 HydrophobicContact CB-CB 4.16Å; I92-Q95 WeakPolarHBondContact O-CB 3.09Å; I92-Q95 PolarHBondContact O-N 3.32Å; Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.32Å; Q95-Y98 PolarHBondContact O-N 3.36Å; Q95-S99 PolarHBondContact O-N 3.02Å; Q95-E185 HydrophobicContact CB-CG 4.36Å
96	Y	71.3	Confident	71.5	Confident	60 Å²	60	49 Å²	49	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-52.1	-45.6	178.8	-176.8	-96	0	0	0	111.7	P86 V88 I92 S93 D94 Y98 S99 V100	P86-Y96 WeakPolarHBondContact O-CE2 3.28Å; V88-Y96 HydrophobicContact CG2-CD2 4.06Å; V88-Y96 HydrophobicContact CG2-CE2 4.02Å; I92-Y96 PolarHBondContact O-N 2.74Å; S93-Y96 WeakPolarHBondContact O-CB 3.41Å; D94-Y96 PolarHBondContact O-N 3.47Å; Y96-Y98 PolarHBondContact O-N 3.36Å; Y96-S99 WeakPolarHBondContact CA-OG 3.5Å; Y96-S99 PolarHBondContact O-N 2.84Å; Y96-S99 PolarHBondContact O-OG 3.46Å; Y96-V100 HydrophobicContact CD1-CG2 3.95Å; Y96-V100 HydrophobicContact CD2-CG2 4.37Å; Y96-V100 HydrophobicContact CE1-CG2 3.64Å; Y96-V100 HydrophobicContact CE2-CG2 4.11Å; Y96-V100 HydrophobicContact CG-CG2 4.29Å; Y96-V100 WeakPolarHBondContact O-CB 3.49Å; Y96-V100 VanDerWaalsContact O-CG2 3.25Å; Y96-V100 WeakPolarHBondContact O-CG2 3.41Å; Y96-V100 PolarHBondContact O-N 2.87Å
97	N	74.2	Confident	72.7	Confident	106 Å²	106	51 Å²	51	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-43	-178.3	-69.9	-35.8	0	0	0	112.8	Q95 T101	Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.32Å; N97-T101 WeakPolarHBondContact O-CB 3.08Å; N97-T101 VanDerWaalsContact O-CG2 3.31Å; N97-T101 WeakPolarHBondContact O-CG2 3.35Å; N97-T101 PolarHBondContact O-N 3.2Å; N97-T101 PolarHBondContact O-OG1 3.22Å
98	Y	77.3	Confident	73.5	Confident	19 Å²	19	52.3 Å²	52.3	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.5	174.5	-176.7	-89.4	0	0	0	111.2	Q95 Y96 V100 T101 K102 I139 L186 N188	Q95-Y98 PolarHBondContact O-N 3.36Å; Y96-Y98 PolarHBondContact O-N 3.36Å; Y98-V100 PolarHBondContact O-N 3.31Å; Y98-T101 PolarHBondContact O-N 3.26Å; Y98-T101 PolarHBondContact O-OG1 3.12Å; Y98-K102 HydrophobicContact CE1-CD 3.88Å; Y98-K102 PolarHBondContact O-N 3.38Å; Y98-K102 VanDerWaalsContact O-N 3.11Å; Y98-K102 WeakPolarHBondContact OH-CE 3.46Å; Y98-K102 PolarHBondContact OH-NZ 3.12Å; Y98-I139 HydrophobicContact CD1-CD1 3.89Å; Y98-I139 HydrophobicContact CE1-CD1 3.96Å; Y98-L186 VanDerWaalsContact CB-O 3.27Å; Y98-L186 WeakPolarHBondContact CB-O 3.35Å; Y98-L186 HydrophobicContact CD1-CB 3.96Å; Y98-L186 HydrophobicContact CD2-CB 4.28Å; Y98-L186 VanDerWaalsContact CD2-O 3.23Å; Y98-L186 WeakPolarHBondContact CD2-O 3.44Å; Y98-L186 HydrophobicContact CE1-CB 3.95Å; Y98-L186 HydrophobicContact CE1-CD1 4Å; Y98-L186 HydrophobicContact CE2-CB 4.24Å; Y98-L186 HydrophobicContact CG-CB 4.12Å; Y98-L186 VanDerWaalsContact CG-O 3.28Å; Y98-N188 WeakPolarHBondContact CD2-OD1 2.76Å; Y98-N188 WeakPolarHBondContact CE2-OD1 3.43Å
99	S	76.4	Confident	74.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-40.9	-179.9	73.4	0	0	0	0	112.8	C91 Q95 Y96 G103 C104 C106	C91-S99 PolarHBondContact SG-OG 3.19Å; Q95-S99 PolarHBondContact O-N 3.02Å; Y96-S99 WeakPolarHBondContact CA-OG 3.5Å; Y96-S99 PolarHBondContact O-N 2.84Å; Y96-S99 PolarHBondContact O-OG 3.46Å; S99-G103 CarbonylContact O-C 3.48Å; S99-G103 WeakPolarHBondContact O-CA 3.42Å; S99-G103 PolarHBondContact O-N 3.11Å; S99-C104 PolarHBondContact O-N 3.26Å; S99-C106 WeakPolarHBondContact CB-SG 3.13Å
100	V	73.4	Confident	75.5	Confident	52 Å²	52	48.2 Å²	48.2	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-68.3	-42.5	179.2	170.7	0	0	0	0	111.1	L85 Y96 Y98 K102 G103	L85-V100 HydrophobicContact CD2-CG1 4.21Å; L85-V100 HydrophobicContact CD2-CG2 4.32Å; Y96-V100 HydrophobicContact CD1-CG2 3.95Å; Y96-V100 HydrophobicContact CD2-CG2 4.37Å; Y96-V100 HydrophobicContact CE1-CG2 3.64Å; Y96-V100 HydrophobicContact CE2-CG2 4.11Å; Y96-V100 HydrophobicContact CG-CG2 4.29Å; Y96-V100 WeakPolarHBondContact O-CB 3.49Å; Y96-V100 VanDerWaalsContact O-CG2 3.25Å; Y96-V100 WeakPolarHBondContact O-CG2 3.41Å; Y96-V100 PolarHBondContact O-N 2.87Å; Y98-V100 PolarHBondContact O-N 3.31Å; V100-K102 PolarHBondContact O-N 2.77Å; V100-G103 PolarHBondContact O-N 3.18Å
101	T	73.4	Confident	75.8	Confident	105 Å²	105	44.7 Å²	44.7	64%	0.644	24%	0.24	S	C	*	.	H	α-helix	trans	-65	-37.4	178.7	50	0	0	0	0	112.9	N97 Y98	N97-T101 WeakPolarHBondContact O-CB 3.08Å; N97-T101 VanDerWaalsContact O-CG2 3.31Å; N97-T101 WeakPolarHBondContact O-CG2 3.35Å; N97-T101 PolarHBondContact O-N 3.2Å; N97-T101 PolarHBondContact O-OG1 3.22Å; Y98-T101 PolarHBondContact O-N 3.26Å; Y98-T101 PolarHBondContact O-OG1 3.12Å
102	K	76.4	Confident	75.5	Confident	74 Å²	74	49.7 Å²	49.7	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-84	-18	173.9	-83.5	-159.3	174	-172.1	0	114.7	Y98 V100 C104 E219 D221	Y98-K102 HydrophobicContact CE1-CD 3.88Å; Y98-K102 PolarHBondContact O-N 3.38Å; Y98-K102 VanDerWaalsContact O-N 3.11Å; Y98-K102 WeakPolarHBondContact OH-CE 3.46Å; Y98-K102 PolarHBondContact OH-NZ 3.12Å; V100-K102 PolarHBondContact O-N 2.77Å; K102-C104 WeakPolarHBondContact CB-SG 3.09Å; K102-E219 WeakPolarHBondContact CD-OE1 3.43Å; K102-E219 IonicContact NZ-OE1 2.64Å; K102-E219 PolarHBondContact NZ-OE1 3.06Å; K102-E219 IonicContact NZ-OE2 3.08Å; K102-E219 PolarHBondContact NZ-OE2 3.18Å; K102-D221 IonicContact NZ-OD2 3.53Å; K102-D221 PolarHBondContact NZ-OD2 3.42Å; K102-D221 VanDerWaalsContact NZ-OD2 3.08Å
103	G	74.8	Confident	75.1	Confident	27 Å²	27	51.4 Å²	51.4	28%	0.278	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	31.1	-170.9	0	0	0	0	0	114.1	S99 V100 S135	S99-G103 CarbonylContact O-C 3.48Å; S99-G103 WeakPolarHBondContact O-CA 3.42Å; S99-G103 PolarHBondContact O-N 3.11Å; V100-G103 PolarHBondContact O-N 3.18Å; G103-S135 WeakPolarHBondContact O-CA 3.49Å; G103-S135 WeakPolarHBondContact O-CB 3.45Å; G103-S135 PolarHBondContact O-OG 3.05Å
104	C	82.7	Confident	74.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.1	179.1	-56.6	0	0	0	0	112.3	S99 K102 C137 I139	S99-C104 PolarHBondContact O-N 3.26Å; K102-C104 WeakPolarHBondContact CB-SG 3.09Å; C104-C137 CarbonylContact C-O 3.41Å; C104-C137 VanDerWaalsContact CA-O 3.23Å; C104-C137 WeakPolarHBondContact CA-O 3.09Å; C104-C137 HydrophobicContact CB-CB 3.77Å; C104-C137 WeakPolarHBondContact CB-SG 3.23Å; C104-C137 WeakPolarHBondContact SG-CB 3.37Å; C104-C137 CovalentContact SG-SG 2.04Å; C104-C137 PolarHBondContact SG-SG 3.24Å; C104-I139 HydrophobicContact CB-CD1 3.68Å; C104-I139 HydrophobicContact CB-CG1 3.87Å
105	L	81.5	Confident	74.8	Confident	29 Å²	29	49 Å²	49	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.3	164	-177.1	71.7	0	0	0	109.7	H107 W131 C137 I138 I139	L105-H107 WeakPolarHBondContact CD2-NE2 3.25Å; L105-W131 HydrophobicContact CB-CH2 4.17Å; L105-W131 HydrophobicContact CB-CZ2 3.85Å; L105-W131 HydrophobicContact CD2-CH2 4.09Å; L105-W131 HydrophobicContact CD2-CZ2 3.54Å; L105-W131 HydrophobicContact CG-CZ2 4.17Å; L105-C137 PolarHBondContact N-O 2.83Å; L105-I138 HydrophobicContact CB-CG1 4.37Å; L105-I138 CarbonylContact O-C 3.51Å; L105-I138 VanDerWaalsContact O-CA 3.32Å; L105-I138 WeakPolarHBondContact O-CA 3.49Å; L105-I139 PolarHBondContact O-N 2.03Å
106	C	82.7	Confident	75.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149	175.3	-52	0	0	0	0	112.4	E90 C91 S99 I139	E90-C106 VanDerWaalsContact O-CB 3.29Å; E90-C106 WeakPolarHBondContact O-CB 3.23Å; C91-C106 HydrophobicContact CB-CB 3.75Å; C91-C106 WeakPolarHBondContact CB-SG 3.44Å; C91-C106 WeakPolarHBondContact SG-CB 3.5Å; C91-C106 CovalentContact SG-SG 2.04Å; C91-C106 PolarHBondContact SG-SG 2.78Å; S99-C106 WeakPolarHBondContact CB-SG 3.13Å; C106-I139 CarbonylContact C-O 3.55Å; C106-I139 VanDerWaalsContact CA-O 3.31Å; C106-I139 WeakPolarHBondContact CA-O 3.46Å
107	H	85.3	Confident	75.7	Confident	57 Å²	57	51.8 Å²	51.8	26%	0.264	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.5	166.1	-68.6	-75	0	0	0	108.9	L105 F109 I139 Y140 T141	L105-H107 WeakPolarHBondContact CD2-NE2 3.25Å; H107-F109 HydrophobicContact CB-CE2 4.23Å; H107-F109 HydrophobicContact CB-CZ 4.42Å; H107-I139 PolarHBondContact N-O 2.74Å; H107-Y140 HydrophobicContact CB-CD1 3.6Å; H107-Y140 HydrophobicContact CB-CE1 3.96Å; H107-Y140 AromaticContact CD2-CE1 3.56Å; H107-Y140 AromaticContact CG-CE1 3.91Å; H107-Y140 CarbonylContact O-C 3.53Å; H107-Y140 WeakPolarHBondContact O-CA 3.31Å; H107-T141 PolarHBondContact O-N 3.06Å
108	L	84.1	Confident	76.3	Confident	47 Å²	47	50.8 Å²	50.8	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.7	179.8	177.4	63.2	0	0	0	110.7	E90 I92 Q110 T141 V143	E90-L108 PolarHBondContact O-N 3.3Å; I92-L108 HydrophobicContact CD1-CD1 3.89Å; I92-L108 HydrophobicContact CG1-CD1 3.94Å; I92-L108 HydrophobicContact CG1-CD2 3.89Å; L108-Q110 HydrophobicContact CD1-CG 4Å; L108-Q110 HydrophobicContact CD2-CG 4.1Å; L108-Q110 HydrophobicContact CG-CG 3.84Å; L108-T141 CarbonylContact C-O 3.57Å; L108-T141 WeakPolarHBondContact CA-O 3.38Å; L108-T141 HydrophobicContact CD1-CG2 3.76Å; L108-V143 HydrophobicContact CD1-CG2 3.91Å
109	F	85.9	Confident	76.5	Confident	39 Å²	39	50.1 Å²	50.1	17%	0.171	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	173.1	-56.6	-77.8	0	0	0	109.2	H107 F119 Y140 T141 F142 V143 Y234	H107-F109 HydrophobicContact CB-CE2 4.23Å; H107-F109 HydrophobicContact CB-CZ 4.42Å; F109-F119 HydrophobicContact CE2-CB 4.05Å; F109-F119 HydrophobicContact CZ-CB 3.87Å; F109-Y140 AromaticContact CE2-CD1 3.68Å; F109-Y140 HydrophobicContact CE2-CD1 3.68Å; F109-Y140 HydrophobicContact CE2-CE1 4.47Å; F109-Y140 HydrophobicContact CE2-CG 4.45Å; F109-Y140 HydrophobicContact CZ-CD1 4.26Å; F109-T141 PolarHBondContact N-O 2.79Å; F109-F142 HydrophobicContact CB-CD1 3.76Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 AromaticContact CD2-CD1 3.68Å; F109-F142 HydrophobicContact CD2-CD1 3.68Å; F109-F142 AromaticContact CD2-CE1 3.3Å; F109-F142 HydrophobicContact CD2-CE1 3.3Å; F109-F142 HydrophobicContact CD2-CG 4.47Å; F109-F142 AromaticContact CD2-CZ 3.86Å; F109-F142 HydrophobicContact CD2-CZ 3.86Å; F109-F142 AromaticContact CE2-CE1 3.81Å; F109-F142 HydrophobicContact CE2-CE1 3.81Å; F109-F142 HydrophobicContact CE2-CZ 4.04Å; F109-F142 HydrophobicContact CG-CD1 4.04Å; F109-F142 AromaticContact CG-CE1 3.93Å; F109-F142 HydrophobicContact CG-CE1 3.93Å; F109-F142 CarbonylContact O-C 3.59Å; F109-F142 WeakPolarHBondContact O-CA 3.38Å; F109-V143 PolarHBondContact O-N 3.3Å; F109-Y234 HydrophobicContact CB-CE2 4.09Å; F109-Y234 AromaticContact CD1-CE1 3.81Å; F109-Y234 HydrophobicContact CD1-CE1 3.81Å; F109-Y234 HydrophobicContact CD1-CE2 4.44Å; F109-Y234 AromaticContact CD1-CZ 3.57Å; F109-Y234 WeakPolarHBondContact CD1-OH 3.01Å; F109-Y234 AromaticContact CE1-CE1 3.98Å; F109-Y234 HydrophobicContact CE1-CE1 3.98Å; F109-Y234 HydrophobicContact CG-CE1 4.11Å; F109-Y234 HydrophobicContact CG-CE2 4.4Å; F109-Y234 AromaticContact CG-CZ 3.89Å; F109-Y234 HydrophobicContact CZ-CE1 4.41Å
110	Q	81.8	Confident	77	Confident	113 Å²	113	54.2 Å²	54.2	53%	0.528	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.4	-179.7	-55.8	-174.2	-58.9	0	0	109.9	L108 V143	L108-Q110 HydrophobicContact CD1-CG 4Å; L108-Q110 HydrophobicContact CD2-CG 4.1Å; L108-Q110 HydrophobicContact CG-CG 3.84Å; Q110-V143 CarbonylContact C-O 3.57Å; Q110-V143 VanDerWaalsContact CA-O 3.27Å; Q110-V143 WeakPolarHBondContact CA-O 3.35Å; Q110-V143 HydrophobicContact CG-CB 4.34Å
111	S	74.4	Confident	77.6	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.021	31%	0.314	C	S	.	.			trans	-59.3	-61.2	179.4	167	0	0	0	0	111.4	G113 L114 V143 E148	S111-G113 PolarHBondContact O-N 2.82Å; S111-L114 PolarHBondContact O-N 2.84Å; S111-V143 PolarHBondContact N-O 2.93Å; S111-E148 WeakPolarHBondContact CB-OE2 3.37Å; S111-E148 VanDerWaalsContact OG-CD 3.27Å; S111-E148 PolarHBondContact OG-OE1 3.23Å; S111-E148 PolarHBondContact OG-OE2 3.08Å
112	S	64.7	Low	77.9	Confident	107 Å²	107	48.7 Å²	48.7	75%	0.748	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.4	25.5	-177.9	62.1	0	0	0	0	115.5
113	G	58.6	Low	77.7	Confident	73 Å²	73	45.6 Å²	45.6	75%	0.753	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	6.6	-175.8	0	0	0	0	0	116.1	S111	S111-G113 PolarHBondContact O-N 2.82Å
114	L	49.2	Very low	76.6	Confident	71 Å²	71	48.7 Å²	48.7	37%	0.372	29%	0.29	S	S	.	.			trans	-121	137.3	-179.1	-62	165.4	0	0	0	110.3	S111 F236 D999	S111-L114 PolarHBondContact O-N 2.84Å; L114-F236 WeakPolarHBondContact O-CD2 3.35Å; L114-D999 HydrophobicContact CD1-CB 3.43Å; L114-D999 VanDerWaalsContact CD1-CB 3.43Å; L114-D999 HydrophobicContact CD2-CB 3.92Å; L114-D999 HydrophobicContact CG-CB 4.25Å
115	S	73.6	Confident	75.1	Confident	46 Å²	46	53.2 Å²	53.2	32%	0.322	31%	0.313	S	S	.	.			trans	-136.5	166.8	175.9	-175.3	0	0	0	0	109.1	E235 F236	S115-E235 WeakPolarHBondContact OG-CA 3.42Å; S115-E235 VanDerWaalsContact OG-CB 3.28Å; S115-E235 WeakPolarHBondContact OG-CB 2.96Å; S115-F236 PolarHBondContact OG-N 2.91Å; S115-F236 PolarHBondContact OG-O 2.99Å
116	N	79.9	Confident	73.5	Confident	99 Å²	99	53.7 Å²	53.7	53%	0.529	32%	0.315	S	S	.	.			trans	78.2	54.7	172.7	-48.9	-11.3	0	0	0	114.4	F233 Y234 E235	N116-F233 VanDerWaalsContact CA-CZ 3.47Å; N116-F233 HydrophobicContact CB-CE2 3.82Å; N116-F233 HydrophobicContact CB-CZ 3.55Å; N116-Y234 CarbonylContact C-O 3.49Å; N116-Y234 VanDerWaalsContact CA-O 3.31Å; N116-Y234 WeakPolarHBondContact CA-O 3.22Å; N116-Y234 PolarHBondContact N-O 2.84Å; N116-E235 VanDerWaalsContact OD1-CB 3.3Å; N116-E235 WeakPolarHBondContact OD1-CB 3.42Å; N116-E235 PolarHBondContact OD1-OE2 2.85Å
117	G	80.4	Confident	71.7	Confident	19 Å²	19	57.8 Å²	57.8	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	177	175.7	0	0	0	0	0	113.8	F233 Y234	G117-F233 CarbonylContact O-C 3.51Å; G117-F233 WeakPolarHBondContact O-CA 3.26Å; G117-F233 WeakPolarHBondContact O-CD2 3.32Å; G117-Y234 VanDerWaalsContact C-CD1 3.49Å; G117-Y234 PolarHBondContact N-O 2.96Å; G117-Y234 WeakPolarHBondContact O-CD1 3.43Å; G117-Y234 PolarHBondContact O-N 2.87Å
118	S	85.4	Confident	69.5	Low	84 Å²	84	61.9 Å²	61.9	59%	0.587	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.7	173.2	61.2	0	0	0	0	111.7	G232	S118-G232 CarbonylContact C-O 3.52Å; S118-G232 VanDerWaalsContact CA-O 3.24Å; S118-G232 WeakPolarHBondContact CA-O 3.43Å; S118-G232 WeakPolarHBondContact CB-O 3.34Å
119	F	82.8	Confident	67.4	Low	5 Å²	5	65.9 Å²	65.9	2%	0.022	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145	168.4	68.8	-81.6	0	0	0	109.4	F109 Y140 F142 V152 L154 I218 V230 I231 G232 Y234	F109-F119 HydrophobicContact CE2-CB 4.05Å; F109-F119 HydrophobicContact CZ-CB 3.87Å; F119-Y140 HydrophobicContact CB-CD1 4.28Å; F119-Y140 HydrophobicContact CB-CE1 4.17Å; F119-Y140 HydrophobicContact CD2-CD1 4.37Å; F119-Y140 AromaticContact CD2-CD2 3.99Å; F119-Y140 HydrophobicContact CD2-CD2 3.99Å; F119-Y140 HydrophobicContact CD2-CE1 4.29Å; F119-Y140 AromaticContact CD2-CE2 3.9Å; F119-Y140 HydrophobicContact CD2-CE2 3.9Å; F119-Y140 HydrophobicContact CD2-CG 4.22Å; F119-Y140 HydrophobicContact CE2-CD2 4.3Å; F119-Y140 HydrophobicContact CE2-CE2 4.37Å; F119-F142 HydrophobicContact CD1-CE1 4.32Å; F119-F142 AromaticContact CD1-CZ 3.82Å; F119-F142 HydrophobicContact CD1-CZ 3.82Å; F119-F142 HydrophobicContact CE1-CZ 4.06Å; F119-F142 HydrophobicContact CG-CZ 4.28Å; F119-V152 HydrophobicContact CE1-CG1 3.59Å; F119-V152 HydrophobicContact CZ-CG1 3.84Å; F119-L154 HydrophobicContact CZ-CD2 3.97Å; F119-I218 HydrophobicContact CZ-CD1 4.11Å; F119-V230 HydrophobicContact CE2-CG1 4.36Å; F119-I231 WeakPolarHBondContact O-CA 3.49Å; F119-G232 WeakPolarHBondContact CD1-O 3.17Å; F119-G232 VanDerWaalsContact CE1-CA 3.48Å; F119-G232 PolarHBondContact N-O 2.7Å; F119-G232 PolarHBondContact O-N 2.73Å; F119-Y234 HydrophobicContact CD1-CD1 4.23Å
120	E	87	Confident	65.1	Low	86 Å²	86	69.7 Å²	69.7	40%	0.402	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.5	177.5	63	172.6	-167.8	0	0	111.5	L125 Y140 V230 I231	E120-L125 WeakPolarHBondContact OE1-CD2 2.92Å; E120-Y140 PolarHBondContact O-OH 2.92Å; E120-Y140 VanDerWaalsContact O-OH 3.08Å; E120-V230 CarbonylContact C-O 3.55Å; E120-V230 WeakPolarHBondContact CA-O 3.07Å; E120-I231 HydrophobicContact CB-CG1 3.96Å
121	F	85.4	Confident	63	Low	3 Å²	3	68 Å²	68	1%	0.013	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.2	167.1	170.8	-114.3	0	0	0	108.3	H126 I138 L220 I223 Q228 K229 V230	F121-H126 AromaticContact CD2-CD2 3.91Å; F121-I138 HydrophobicContact CD2-CD1 3.24Å; F121-I138 HydrophobicContact CE2-CD1 3.29Å; F121-I138 HydrophobicContact CG-CD1 4.24Å; F121-I138 HydrophobicContact CZ-CD1 4.32Å; F121-L220 HydrophobicContact CB-CD1 3.84Å; F121-L220 HydrophobicContact CD1-CD1 3.57Å; F121-L220 HydrophobicContact CD2-CD1 4.37Å; F121-L220 HydrophobicContact CE1-CD1 4.21Å; F121-L220 HydrophobicContact CG-CD1 3.66Å; F121-I223 HydrophobicContact CE2-CD1 4.3Å; F121-I223 HydrophobicContact CE2-CG2 4.45Å; F121-I223 HydrophobicContact CZ-CD1 4.16Å; F121-I223 HydrophobicContact CZ-CG1 4.44Å; F121-I223 HydrophobicContact CZ-CG2 3.7Å; F121-Q228 HydrophobicContact CD1-CB 4.4Å; F121-Q228 HydrophobicContact CE1-CB 3.65Å; F121-Q228 HydrophobicContact CZ-CB 4.44Å; F121-K229 CarbonylContact O-C 3.6Å; F121-K229 VanDerWaalsContact O-CA 3.3Å; F121-K229 WeakPolarHBondContact O-CA 3Å; F121-V230 HydrophobicContact CB-CB 4.33Å; F121-V230 PolarHBondContact N-O 3.3Å; F121-V230 PolarHBondContact O-N 3.33Å
122	I	80.5	Confident	61.2	Low	39 Å²	39	74.5 Å²	74.5	20%	0.2	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121	175.9	-53.2	178.6	0	0	0	108.4	N124 L125 H126 K229	I122-N124 HydrophobicContact CG2-CB 4.35Å; I122-N124 PolarHBondContact O-N 3.14Å; I122-N124 VanDerWaalsContact O-N 3.11Å; I122-L125 HydrophobicContact CB-CB 4.15Å; I122-L125 PolarHBondContact O-N 2.74Å; I122-L125 VanDerWaalsContact O-N 3.07Å; I122-H126 PolarHBondContact O-CD2 3.39Å; I122-H126 PolarHBondContact O-N 2.66Å; I122-K229 HydrophobicContact CG1-CG 4.3Å
123	T	70.5	Confident	60.1	Low	9 Å²	9	74.1 Å²	74.1	6%	0.055	43%	0.429	C	S	.	.	H	α-helix	trans	-53.6	-39	-178.6	-38	0	0	0	0	112.1	L127 E226 Q228	T123-L127 HydrophobicContact CG2-CD1 3.78Å; T123-L127 HydrophobicContact CG2-CG 4.33Å; T123-L127 VanDerWaalsContact O-CB 3.32Å; T123-L127 WeakPolarHBondContact O-CB 3.17Å; T123-L127 VanDerWaalsContact O-CD1 3.3Å; T123-L127 WeakPolarHBondContact O-CD1 3.36Å; T123-L127 WeakPolarHBondContact O-CG 3.34Å; T123-L127 PolarHBondContact O-N 3.13Å; T123-E226 WeakPolarHBondContact CG2-O 3.45Å; T123-E226 PolarHBondContact OG1-O 3.33Å; T123-Q228 PolarHBondContact N-O 2.57Å; T123-Q228 WeakPolarHBondContact OG1-CA 3.43Å; T123-Q228 WeakPolarHBondContact OG1-CB 3.38Å; T123-Q228 PolarHBondContact OG1-N 3.11Å; T123-Q228 PolarHBondContact OG1-O 3.13Å
124	N	53.4	Low	59.6	Low	91 Å²	91	76 Å²	76	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-71.6	-28.8	-178.1	-63.9	-21.8	0	0	0	114.5	I122	I122-N124 HydrophobicContact CG2-CB 4.35Å; I122-N124 PolarHBondContact O-N 3.14Å; I122-N124 VanDerWaalsContact O-N 3.11Å
125	L	49.3	Very low	59.8	Low	96 Å²	96	75 Å²	75	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-82.4	-38.4	-176.1	-162.3	73	0	0	0	110.9	E120 I122	E120-L125 WeakPolarHBondContact OE1-CD2 2.92Å; I122-L125 HydrophobicContact CB-CB 4.15Å; I122-L125 PolarHBondContact O-N 2.74Å; I122-L125 VanDerWaalsContact O-N 3.07Å
126	H	49.4	Very low	59.7	Low	40 Å²	40	77 Å²	77	19%	0.185	43%	0.432	C	S	.	.	H	α-helix	trans	-78.6	-23.4	177	-65.3	-76.8	0	0	0	113.4	F121 I122 N128 L129 W131	F121-H126 AromaticContact CD2-CD2 3.91Å; I122-H126 PolarHBondContact O-CD2 3.39Å; I122-H126 PolarHBondContact O-N 2.66Å; H126-N128 VanDerWaalsContact C-N 3.34Å; H126-N128 PolarHBondContact O-N 2.98Å; H126-L129 PolarHBondContact O-N 3.39Å; H126-W131 HydrophobicContact CB-CE3 4.25Å; H126-W131 HydrophobicContact CB-CZ3 4.33Å
127	L	45.2	Very low	59.9	Low	86 Å²	86	72.4 Å²	72.4	45%	0.45	41%	0.408	S	S	.	.	H	α-helix	trans	-71.4	-23.9	175.1	-77.5	171.9	0	0	0	113.9	T123 L129	T123-L127 HydrophobicContact CG2-CD1 3.78Å; T123-L127 HydrophobicContact CG2-CG 4.33Å; T123-L127 VanDerWaalsContact O-CB 3.32Å; T123-L127 WeakPolarHBondContact O-CB 3.17Å; T123-L127 VanDerWaalsContact O-CD1 3.3Å; T123-L127 WeakPolarHBondContact O-CD1 3.36Å; T123-L127 WeakPolarHBondContact O-CG 3.34Å; T123-L127 PolarHBondContact O-N 3.13Å; L127-L129 PolarHBondContact O-N 3.29Å
128	N	37.9	Very low	60.3	Low	144 Å²	144	71.5 Å²	71.5	77%	0.77	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.8	177.1	-81.4	-17.6	0	0	0	113.3	H126	H126-N128 VanDerWaalsContact C-N 3.34Å; H126-N128 PolarHBondContact O-N 2.98Å
129	L	41.3	Very low	60.4	Low	131 Å²	131	67.5 Å²	67.5	69%	0.686	37%	0.37	S	S	*	.	S	Bend	trans	-103.9	69.3	179.2	-140.6	88.9	0	0	0	110.6	H126 L127 W131	H126-L129 PolarHBondContact O-N 3.39Å; L127-L129 PolarHBondContact O-N 3.29Å; L129-W131 PolarHBondContact O-N 3.45Å
130	S	37.5	Very low	60.9	Low	119 Å²	119	67.5 Å²	67.5	83%	0.832	37%	0.37	S	S	*	.	S	Bend	trans	49.2	32.6	165.7	42	0	0	0	0	116	N132	S130-N132 PolarHBondContact O-N 3.45Å
131	W	36.9	Very low	61.1	Low	77 Å²	77	63.5 Å²	63.5	29%	0.292	35%	0.352	S	S	.	.			trans	-93.3	72.8	174.3	-91.2	25.4	0	0	0	110.2	L105 H126 L129 I138	L105-W131 HydrophobicContact CB-CH2 4.17Å; L105-W131 HydrophobicContact CB-CZ2 3.85Å; L105-W131 HydrophobicContact CD2-CH2 4.09Å; L105-W131 HydrophobicContact CD2-CZ2 3.54Å; L105-W131 HydrophobicContact CG-CZ2 4.17Å; H126-W131 HydrophobicContact CB-CE3 4.25Å; H126-W131 HydrophobicContact CB-CZ3 4.33Å; L129-W131 PolarHBondContact O-N 3.45Å; W131-I138 HydrophobicContact CH2-CD1 4.01Å; W131-I138 HydrophobicContact CH2-CG1 4.02Å; W131-I138 HydrophobicContact CZ3-CD1 4.37Å
132	N	37.1	Very low	61.5	Low	139 Å²	139	63.4 Å²	63.4	74%	0.743	35%	0.351	S	S	*	.			trans	-97.6	100.7	168.6	-131.5	-8	0	0	0	108.4	S130	S130-N132 PolarHBondContact O-N 3.45Å
133	T	41.2	Very low	61.9	Low	100 Å²	100	62.3 Å²	62.3	61%	0.613	35%	0.346	S	S	*	.	S	Bend	trans	79.2	114.7	168.3	65.7	0	0	0	0	119
134	T	47.8	Very low	62.7	Low	113 Å²	113	61.9 Å²	61.9	69%	0.693	34%	0.344	S	S	*	.			trans	87.5	21.9	151.2	70.5	0	0	0	0	123.6	N136	T134-N136 PolarHBondContact O-N 3.29Å
135	S	54.4	Low	64.1	Low	48 Å²	48	61.9 Å²	61.9	34%	0.336	34%	0.344	S	S	.	.			trans	-82.2	94.1	153.5	-71.9	0	0	0	0	109	G103 C137	G103-S135 WeakPolarHBondContact O-CA 3.49Å; G103-S135 WeakPolarHBondContact O-CB 3.45Å; G103-S135 PolarHBondContact O-OG 3.05Å; S135-C137 PolarHBondContact O-N 3.19Å
136	N	69.8	Low	65.6	Low	90 Å²	90	63.9 Å²	63.9	48%	0.481	35%	0.354	S	S	.	.			trans	-81.2	8	-179.3	-68.3	-7.9	0	0	0	112.6	T134 E222 I223	T134-N136 PolarHBondContact O-N 3.29Å; N136-E222 PolarHBondContact O-N 3.3Å; N136-I223 PolarHBondContact O-N 3.37Å
137	C	84.7	Confident	67.2	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.5	-169.3	165.1	0	0	0	0	113.1	C104 L105 S135 L220	C104-C137 CarbonylContact C-O 3.41Å; C104-C137 VanDerWaalsContact CA-O 3.23Å; C104-C137 WeakPolarHBondContact CA-O 3.09Å; C104-C137 HydrophobicContact CB-CB 3.77Å; C104-C137 WeakPolarHBondContact CB-SG 3.23Å; C104-C137 WeakPolarHBondContact SG-CB 3.37Å; C104-C137 CovalentContact SG-SG 2.04Å; C104-C137 PolarHBondContact SG-SG 3.24Å; L105-C137 PolarHBondContact N-O 2.83Å; S135-C137 PolarHBondContact O-N 3.19Å; C137-L220 CarbonylContact C-O 3.41Å; C137-L220 WeakPolarHBondContact CA-O 3.32Å
138	I	88.2	Confident	69.4	Low	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.5	173.3	-66.6	168.7	0	0	0	109	L105 F121 W131 Y140 E219 L220 I223	L105-I138 HydrophobicContact CB-CG1 4.37Å; L105-I138 CarbonylContact O-C 3.51Å; L105-I138 VanDerWaalsContact O-CA 3.32Å; L105-I138 WeakPolarHBondContact O-CA 3.49Å; F121-I138 HydrophobicContact CD2-CD1 3.24Å; F121-I138 HydrophobicContact CE2-CD1 3.29Å; F121-I138 HydrophobicContact CG-CD1 4.24Å; F121-I138 HydrophobicContact CZ-CD1 4.32Å; W131-I138 HydrophobicContact CH2-CD1 4.01Å; W131-I138 HydrophobicContact CH2-CG1 4.02Å; W131-I138 HydrophobicContact CZ3-CD1 4.37Å; I138-Y140 HydrophobicContact CG2-CD2 4.27Å; I138-Y140 HydrophobicContact CG2-CE1 4.31Å; I138-Y140 HydrophobicContact CG2-CE2 3.75Å; I138-E219 CarbonylContact O-C 3.45Å; I138-E219 WeakPolarHBondContact O-CA 3.34Å; I138-L220 HydrophobicContact CB-CB 4.32Å; I138-L220 PolarHBondContact N-O 3.21Å; I138-L220 PolarHBondContact O-N 3.14Å; I138-I223 HydrophobicContact CB-CD1 4.04Å; I138-I223 HydrophobicContact CD1-CD1 3.67Å; I138-I223 HydrophobicContact CG1-CD1 3.56Å
139	I	89	Confident	71.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.9	179.8	-59.6	174	0	0	0	109.2	Y98 C104 L105 C106 H107 L186 I217 I218 E219	Y98-I139 HydrophobicContact CD1-CD1 3.89Å; Y98-I139 HydrophobicContact CE1-CD1 3.96Å; C104-I139 HydrophobicContact CB-CD1 3.68Å; C104-I139 HydrophobicContact CB-CG1 3.87Å; L105-I139 PolarHBondContact O-N 2.03Å; C106-I139 CarbonylContact C-O 3.55Å; C106-I139 VanDerWaalsContact CA-O 3.31Å; C106-I139 WeakPolarHBondContact CA-O 3.46Å; H107-I139 PolarHBondContact N-O 2.74Å; I139-L186 HydrophobicContact CD1-CD1 4.38Å; I139-L186 HydrophobicContact CG2-CD1 4.38Å; I139-I217 HydrophobicContact CG2-CG2 3.53Å; I139-I218 CarbonylContact C-O 3.59Å; I139-I218 WeakPolarHBondContact CA-O 3.39Å; I139-E219 HydrophobicContact CG1-CB 4.42Å; I139-E219 HydrophobicContact CG1-CG 4.18Å
140	Y	92.9	Very high	74.4	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.3	168.6	-60.4	-74.8	0	0	0	109.3	H107 F109 F119 E120 I138 I217 I218 L220	H107-Y140 HydrophobicContact CB-CD1 3.6Å; H107-Y140 HydrophobicContact CB-CE1 3.96Å; H107-Y140 AromaticContact CD2-CE1 3.56Å; H107-Y140 AromaticContact CG-CE1 3.91Å; H107-Y140 CarbonylContact O-C 3.53Å; H107-Y140 WeakPolarHBondContact O-CA 3.31Å; F109-Y140 AromaticContact CE2-CD1 3.68Å; F109-Y140 HydrophobicContact CE2-CD1 3.68Å; F109-Y140 HydrophobicContact CE2-CE1 4.47Å; F109-Y140 HydrophobicContact CE2-CG 4.45Å; F109-Y140 HydrophobicContact CZ-CD1 4.26Å; F119-Y140 HydrophobicContact CB-CD1 4.28Å; F119-Y140 HydrophobicContact CB-CE1 4.17Å; F119-Y140 HydrophobicContact CD2-CD1 4.37Å; F119-Y140 AromaticContact CD2-CD2 3.99Å; F119-Y140 HydrophobicContact CD2-CD2 3.99Å; F119-Y140 HydrophobicContact CD2-CE1 4.29Å; F119-Y140 AromaticContact CD2-CE2 3.9Å; F119-Y140 HydrophobicContact CD2-CE2 3.9Å; F119-Y140 HydrophobicContact CD2-CG 4.22Å; F119-Y140 HydrophobicContact CE2-CD2 4.3Å; F119-Y140 HydrophobicContact CE2-CE2 4.37Å; E120-Y140 PolarHBondContact O-OH 2.92Å; E120-Y140 VanDerWaalsContact O-OH 3.08Å; I138-Y140 HydrophobicContact CG2-CD2 4.27Å; I138-Y140 HydrophobicContact CG2-CE1 4.31Å; I138-Y140 HydrophobicContact CG2-CE2 3.75Å; Y140-I217 CarbonylContact O-C 3.47Å; Y140-I217 WeakPolarHBondContact O-CA 3.12Å; Y140-I218 HydrophobicContact CD2-CG2 4.49Å; Y140-I218 PolarHBondContact N-O 3.39Å; Y140-I218 PolarHBondContact O-N 2.96Å; Y140-L220 HydrophobicContact CE2-CD1 4.27Å
141	T	91.3	Very high	77.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	-179.7	-60	0	0	0	0	109.1	I92 H107 L108 F109 V143 A184 I217	I92-T141 HydrophobicContact CD1-CG2 4.1Å; H107-T141 PolarHBondContact O-N 3.06Å; L108-T141 CarbonylContact C-O 3.57Å; L108-T141 WeakPolarHBondContact CA-O 3.38Å; L108-T141 HydrophobicContact CD1-CG2 3.76Å; F109-T141 PolarHBondContact N-O 2.79Å; T141-V143 HydrophobicContact CG2-CG2 3.98Å; T141-A184 HydrophobicContact CG2-CB 4.29Å; T141-I217 HydrophobicContact CG2-CD1 4.43Å; T141-I217 HydrophobicContact CG2-CG1 4.19Å
142	F	92.4	Very high	79.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.5	178.2	-56.1	-88.7	0	0	0	109.7	F109 F119 V150 V152 V215 M216 I218 Y234 F236	F109-F142 HydrophobicContact CB-CD1 3.76Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 AromaticContact CD2-CD1 3.68Å; F109-F142 HydrophobicContact CD2-CD1 3.68Å; F109-F142 AromaticContact CD2-CE1 3.3Å; F109-F142 HydrophobicContact CD2-CE1 3.3Å; F109-F142 HydrophobicContact CD2-CG 4.47Å; F109-F142 AromaticContact CD2-CZ 3.86Å; F109-F142 HydrophobicContact CD2-CZ 3.86Å; F109-F142 AromaticContact CE2-CE1 3.81Å; F109-F142 HydrophobicContact CE2-CE1 3.81Å; F109-F142 HydrophobicContact CE2-CZ 4.04Å; F109-F142 HydrophobicContact CG-CD1 4.04Å; F109-F142 AromaticContact CG-CE1 3.93Å; F109-F142 HydrophobicContact CG-CE1 3.93Å; F109-F142 CarbonylContact O-C 3.59Å; F109-F142 WeakPolarHBondContact O-CA 3.38Å; F119-F142 HydrophobicContact CD1-CE1 4.32Å; F119-F142 AromaticContact CD1-CZ 3.82Å; F119-F142 HydrophobicContact CD1-CZ 3.82Å; F119-F142 HydrophobicContact CE1-CZ 4.06Å; F119-F142 HydrophobicContact CG-CZ 4.28Å; F142-V150 HydrophobicContact CB-CB 4.37Å; F142-V150 HydrophobicContact CB-CG1 3.52Å; F142-V150 HydrophobicContact CB-CG2 4Å; F142-V150 HydrophobicContact CD1-CG1 4.44Å; F142-V150 HydrophobicContact CG-CG1 3.95Å; F142-V152 HydrophobicContact CD2-CG2 4.24Å; F142-V152 HydrophobicContact CE1-CG2 4.5Å; F142-V152 HydrophobicContact CE2-CG2 4.08Å; F142-V152 HydrophobicContact CZ-CG2 4.21Å; F142-V215 WeakPolarHBondContact O-CA 3.48Å; F142-M216 HydrophobicContact CB-CB 4.38Å; F142-M216 HydrophobicContact CD2-CB 4.35Å; F142-M216 PolarHBondContact N-O 3.36Å; F142-M216 PolarHBondContact O-N 2.65Å; F142-I218 HydrophobicContact CE2-CD1 3.89Å; F142-I218 HydrophobicContact CE2-CG1 4.21Å; F142-Y234 HydrophobicContact CD1-CD1 4.29Å; F142-Y234 AromaticContact CD1-CD2 3.89Å; F142-Y234 HydrophobicContact CD1-CD2 3.89Å; F142-Y234 AromaticContact CD1-CG 3.78Å; F142-Y234 HydrophobicContact CD1-CG 3.78Å; F142-Y234 AromaticContact CE1-CD1 3.57Å; F142-Y234 HydrophobicContact CE1-CD1 3.57Å; F142-Y234 HydrophobicContact CE1-CD2 4.01Å; F142-Y234 HydrophobicContact CE1-CE1 4.19Å; F142-Y234 AromaticContact CE1-CG 3.44Å; F142-Y234 HydrophobicContact CE1-CG 3.44Å; F142-Y234 VanDerWaalsContact CE1-CG 3.44Å; F142-F236 HydrophobicContact CB-CE1 4.28Å
143	V	89	Confident	82.2	Confident	16 Å²	16	42.8 Å²	42.8	10%	0.097	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	101.9	-178.1	-172.7	0	0	0	0	110.5	I92 L108 F109 Q110 S111 T141 A184 R214 F236	I92-V143 HydrophobicContact CD1-CG2 4.02Å; L108-V143 HydrophobicContact CD1-CG2 3.91Å; F109-V143 PolarHBondContact O-N 3.3Å; Q110-V143 CarbonylContact C-O 3.57Å; Q110-V143 VanDerWaalsContact CA-O 3.27Å; Q110-V143 WeakPolarHBondContact CA-O 3.35Å; Q110-V143 HydrophobicContact CG-CB 4.34Å; S111-V143 PolarHBondContact N-O 2.93Å; T141-V143 HydrophobicContact CG2-CG2 3.98Å; V143-A184 HydrophobicContact CG2-CB 3.68Å; V143-R214 CarbonylContact C-O 3.51Å; V143-R214 WeakPolarHBondContact CA-O 3.47Å; V143-F236 VanDerWaalsContact C-CE1 3.49Å
144	G	87.6	Confident	84.3	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.196	C	C	.	.			trans	-73.2	176.8	169	0	0	0	0	0	112.2	E148 R214 F236	G144-E148 WeakPolarHBondContact CA-OE2 3.47Å; G144-R214 PolarHBondContact N-O 2.71Å; G144-R214 PolarHBondContact O-NE 3.45Å; G144-R214 PolarHBondContact O-NH2 2.91Å; G144-F236 VanDerWaalsContact CA-CD1 3.44Å
145	D	83.3	Confident	86.1	Confident	91 Å²	91	37.2 Å²	37.2	49%	0.487	19%	0.187	S	C	.	.			trans	-78.5	178.9	170.8	-157.1	2.5	0	0	0	112.7	K147 E148 R214	D145-K147 PolarHBondContact O-N 2.96Å; D145-K147 VanDerWaalsContact O-N 3.12Å; D145-E148 HydrophobicContact CB-CG 4.25Å; D145-E148 PolarHBondContact N-OE2 3.42Å; D145-E148 PolarHBondContact O-N 3.41Å; D145-R214 VanDerWaalsContact O-CB 3.29Å; D145-R214 WeakPolarHBondContact O-CB 3.37Å; D145-R214 IonicContact OD1-NH2 3.06Å
146	L	81.3	Confident	87.6	Confident	137 Å²	137	39.1 Å²	39.1	72%	0.717	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.4	-173.6	-73.3	172.4	0	0	0	114.7
147	K	83.3	Confident	88.3	Confident	129 Å²	129	35.2 Å²	35.2	56%	0.561	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	10	179.8	-70.2	-172.8	165.9	-149.7	0	113.4	D145 R239 D240	D145-K147 PolarHBondContact O-N 2.96Å; D145-K147 VanDerWaalsContact O-N 3.12Å; K147-R239 WeakPolarHBondContact O-CB 3.48Å; K147-R239 PolarHBondContact O-N 3.28Å; K147-D240 WeakPolarHBondContact CE-OD2 2.77Å; K147-D240 IonicContact NZ-OD2 3.62Å; K147-D240 PolarHBondContact NZ-OD2 3.39Å
148	E	90.3	Very high	88.4	Confident	40 Å²	40	37.2 Å²	37.2	19%	0.187	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	153.8	-175.6	-66.3	177.1	164.8	0	0	112.5	S111 G144 D145 R214 F236 L237	S111-E148 WeakPolarHBondContact CB-OE2 3.37Å; S111-E148 VanDerWaalsContact OG-CD 3.27Å; S111-E148 PolarHBondContact OG-OE1 3.23Å; S111-E148 PolarHBondContact OG-OE2 3.08Å; G144-E148 WeakPolarHBondContact CA-OE2 3.47Å; D145-E148 HydrophobicContact CB-CG 4.25Å; D145-E148 PolarHBondContact N-OE2 3.42Å; D145-E148 PolarHBondContact O-N 3.41Å; E148-R214 VanDerWaalsContact O-CA 3.24Å; E148-R214 WeakPolarHBondContact O-CA 3.41Å; E148-R214 PolarHBondContact O-N 2.7Å; E148-F236 HydrophobicContact CB-CB 4.42Å; E148-F236 HydrophobicContact CG-CB 4.5Å; E148-F236 WeakPolarHBondContact OE2-CB 3.16Å; E148-L237 CarbonylContact C-O 3.56Å; E148-L237 WeakPolarHBondContact CA-O 3.3Å
149	I	91.1	Very high	88.3	Confident	10 Å²	10	37.3 Å²	37.3	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.3	162.6	64	176.2	0	0	0	108.9	F236 L237 R239 Y242 P305	I149-F236 CarbonylContact O-C 3.52Å; I149-F236 WeakPolarHBondContact O-CA 3.11Å; I149-L237 HydrophobicContact CD1-CB 4.4Å; I149-L237 HydrophobicContact CG1-CB 3.8Å; I149-L237 PolarHBondContact N-O 3.11Å; I149-L237 PolarHBondContact O-N 3.04Å; I149-R239 HydrophobicContact CG2-CB 4.07Å; I149-R239 HydrophobicContact CG2-CG 4.09Å; I149-Y242 HydrophobicContact CD1-CD2 3.91Å; I149-Y242 HydrophobicContact CD1-CE2 4.01Å; I149-P305 HydrophobicContact CD1-CG 4.09Å
150	V	93.1	Very high	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129	177.9	-171.5	0	0	0	0	108.8	F142 V152 H210 S211 M216 F236	F142-V150 HydrophobicContact CB-CB 4.37Å; F142-V150 HydrophobicContact CB-CG1 3.52Å; F142-V150 HydrophobicContact CB-CG2 4Å; F142-V150 HydrophobicContact CD1-CG1 4.44Å; F142-V150 HydrophobicContact CG-CG1 3.95Å; V150-V152 HydrophobicContact CG1-CG2 4.01Å; V150-H210 CarbonylContact O-C 3.59Å; V150-H210 WeakPolarHBondContact O-CA 3.04Å; V150-S211 WeakPolarHBondContact CB-OG 3.28Å; V150-S211 PolarHBondContact N-OG 2.87Å; V150-S211 PolarHBondContact O-N 2.9Å; V150-S211 PolarHBondContact O-OG 2.85Å; V150-M216 HydrophobicContact CB-CB 3.94Å; V150-M216 HydrophobicContact CB-CE 4.32Å; V150-M216 HydrophobicContact CG1-CB 3.98Å; V150-M216 HydrophobicContact CG1-CE 4.46Å; V150-M216 HydrophobicContact CG2-CB 4.26Å; V150-M216 WeakPolarHBondContact O-CE 3.4Å; V150-F236 HydrophobicContact CG1-CE1 4.38Å; V150-F236 HydrophobicContact CG2-CD1 3.99Å; V150-F236 HydrophobicContact CG2-CE1 3.9Å
151	H	94.2	Very high	86.6	Confident	19 Å²	19	40.6 Å²	40.6	9%	0.088	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.4	167.5	166.9	-143.3	0	0	0	109.4	D208 F209 H210 Y234 E235 L237	H151-D208 IonicContact CD2-OD1 3.27Å; H151-D208 PolarHBondContact CD2-OD1 3.18Å; H151-D208 VanDerWaalsContact CD2-OD1 3.28Å; H151-D208 IonicContact NE2-OD1 3.94Å; H151-D208 PolarHBondContact NE2-OD1 2.98Å; H151-D208 IonicContact NE2-OD2 2.77Å; H151-F209 CarbonylContact C-O 3.51Å; H151-F209 WeakPolarHBondContact CA-O 3.26Å; H151-F209 PolarHBondContact CD2-O 3.36Å; H151-H210 AromaticContact CD2-CE1 3.22Å; H151-H210 PolarHBondContact CD2-CE1 3.32Å; H151-H210 AromaticContact CD2-ND1 3.7Å; H151-H210 AromaticContact CD2-NE2 3.49Å; H151-H210 PolarHBondContact CD2-NE2 3.1Å; H151-H210 AromaticContact CG-CD2 3.95Å; H151-H210 AromaticContact CG-CE1 3.74Å; H151-H210 AromaticContact CG-NE2 3.5Å; H151-H210 AromaticContact NE2-CE1 3.64Å; H151-Y234 CarbonylContact O-C 3.54Å; H151-Y234 VanDerWaalsContact O-CA 3.22Å; H151-Y234 WeakPolarHBondContact O-CA 3.31Å; H151-E235 HydrophobicContact CB-CG 3.76Å; H151-E235 IonicContact CE1-OE1 3.81Å; H151-E235 PolarHBondContact CE1-OE1 2.87Å; H151-E235 IonicContact CG-OE1 3.33Å; H151-E235 PolarHBondContact N-O 3.47Å; H151-E235 WeakPolarHBondContact ND1-CG 3.38Å; H151-E235 IonicContact ND1-OE1 3.56Å; H151-E235 PolarHBondContact ND1-OE1 2.9Å; H151-E235 PolarHBondContact O-N 2.77Å; H151-L237 HydrophobicContact CB-CD1 3.55Å; H151-L237 HydrophobicContact CB-CG 4.21Å
152	V	93.5	Very high	85.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.5	177.2	172.7	0	0	0	0	109.7	F119 F142 V150 D208 F209 M216 I218 F233	F119-V152 HydrophobicContact CE1-CG1 3.59Å; F119-V152 HydrophobicContact CZ-CG1 3.84Å; F142-V152 HydrophobicContact CD2-CG2 4.24Å; F142-V152 HydrophobicContact CE1-CG2 4.5Å; F142-V152 HydrophobicContact CE2-CG2 4.08Å; F142-V152 HydrophobicContact CZ-CG2 4.21Å; V150-V152 HydrophobicContact CG1-CG2 4.01Å; V152-D208 WeakPolarHBondContact O-CA 3.33Å; V152-F209 PolarHBondContact N-O 3.37Å; V152-F209 PolarHBondContact O-N 3.01Å; V152-M216 HydrophobicContact CB-SD 3.92Å; V152-M216 HydrophobicContact CG2-SD 3.65Å; V152-I218 HydrophobicContact CB-CD1 4.39Å; V152-I218 HydrophobicContact CG1-CD1 3.76Å; V152-I218 HydrophobicContact CG2-CD1 4.34Å; V152-F233 CarbonylContact C-O 3.57Å; V152-F233 WeakPolarHBondContact CA-O 3.32Å
153	R	87.9	Confident	83.6	Confident	96 Å²	96	53.3 Å²	53.3	36%	0.362	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.5	175.1	-176.1	177.3	179.4	-178.6	3.1	110.9	D208 G232 F233	R153-D208 HydrophobicContact CG-CB 4.41Å; R153-G232 CarbonylContact O-C 3.36Å; R153-G232 VanDerWaalsContact O-CA 3.23Å; R153-G232 WeakPolarHBondContact O-CA 3.32Å; R153-F233 PolarHBondContact N-O 3.17Å; R153-F233 PolarHBondContact O-N 2.86Å
154	L	85.4	Confident	81.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.7	174.3	-61.2	177.2	0	0	0	110.2	F119 F157 F175 L201 L204 H207 F209 V230	F119-L154 HydrophobicContact CZ-CD2 3.97Å; L154-F157 HydrophobicContact CD1-CD2 3.86Å; L154-F157 HydrophobicContact CD1-CE2 4.35Å; L154-F175 HydrophobicContact CD1-CE1 4.05Å; L154-F175 HydrophobicContact CD1-CZ 4.08Å; L154-F175 HydrophobicContact CD2-CE2 4.36Å; L154-F175 HydrophobicContact CD2-CZ 3.85Å; L154-F175 HydrophobicContact CG-CZ 4.47Å; L154-L201 HydrophobicContact CB-CD1 3.59Å; L154-L204 HydrophobicContact CD1-CD1 4.06Å; L154-H207 HydrophobicContact CB-CB 4.21Å; L154-H207 HydrophobicContact CD1-CB 4.38Å; L154-H207 PolarHBondContact N-O 3.48Å; L154-F209 HydrophobicContact CD1-CE2 3.93Å; L154-F209 HydrophobicContact CG-CE2 4.11Å; L154-V230 HydrophobicContact CD2-CG1 4.05Å
155	L	86	Confident	80.2	Confident	94 Å²	94	70 Å²	70	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-40.4	178.9	-59.3	179.8	0	0	0	111.2	I231 F233	L155-I231 HydrophobicContact CB-CG2 4.4Å; L155-I231 HydrophobicContact CD1-CG2 4.4Å; L155-I231 PolarHBondContact N-O 2.81Å; L155-F233 HydrophobicContact CD1-CB 4.22Å; L155-F233 HydrophobicContact CG-CB 4.42Å
156	E	84.7	Confident	78.5	Confident	89 Å²	89	70.9 Å²	70.9	42%	0.416	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.1	173.3	-69.3	-167.5	-139.5	0	0	110.4	K229 V230 I231	E156-K229 IonicContact OE1-NZ 3.5Å; E156-K229 PolarHBondContact OE1-NZ 3.08Å; E156-K229 VanDerWaalsContact OE2-CD 3.28Å; E156-K229 WeakPolarHBondContact OE2-CD 3.48Å; E156-K229 WeakPolarHBondContact OE2-CE 3.38Å; E156-K229 IonicContact OE2-NZ 2.86Å; E156-K229 PolarHBondContact OE2-NZ 3.18Å; E156-V230 WeakPolarHBondContact O-CA 3.28Å; E156-I231 HydrophobicContact CB-CB 4.16Å; E156-I231 HydrophobicContact CB-CG1 4.4Å; E156-I231 PolarHBondContact N-O 3.08Å; E156-I231 VanDerWaalsContact N-O 3.1Å; E156-I231 PolarHBondContact O-N 2.95Å
157	F	85.7	Confident	77	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.035	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	121.6	-179.9	-170.2	-87.2	0	0	0	111	L154 L159 F175 G198 Q199 H200 L201 L204 K229 V230	L154-F157 HydrophobicContact CD1-CD2 3.86Å; L154-F157 HydrophobicContact CD1-CE2 4.35Å; F157-L159 HydrophobicContact CE1-CB 4.22Å; F157-L159 HydrophobicContact CE1-CD1 4.15Å; F157-L159 HydrophobicContact CE1-CG 4.02Å; F157-L159 HydrophobicContact CE2-CD1 4.07Å; F157-L159 HydrophobicContact CE2-CG 4.35Å; F157-L159 HydrophobicContact CZ-CB 4.42Å; F157-L159 HydrophobicContact CZ-CD1 3.52Å; F157-L159 HydrophobicContact CZ-CG 3.83Å; F157-F175 HydrophobicContact CE2-CB 3.83Å; F157-F175 HydrophobicContact CE2-CD1 4.15Å; F157-F175 AromaticContact CE2-CD2 3.93Å; F157-F175 HydrophobicContact CE2-CD2 3.93Å; F157-F175 AromaticContact CE2-CG 3.72Å; F157-F175 HydrophobicContact CE2-CG 3.72Å; F157-F175 HydrophobicContact CZ-CB 3.93Å; F157-F175 HydrophobicContact CZ-CG 4.31Å; F157-G198 WeakPolarHBondContact CD1-O 3.31Å; F157-G198 VanDerWaalsContact CE1-O 3.29Å; F157-G198 WeakPolarHBondContact CE1-O 3.48Å; F157-Q199 CarbonylContact O-C 3.52Å; F157-H200 VanDerWaalsContact O-CA 3.3Å; F157-H200 WeakPolarHBondContact O-CA 3.38Å; F157-H200 PolarHBondContact O-N 3.1Å; F157-L201 HydrophobicContact CB-CD1 3.93Å; F157-L204 HydrophobicContact CB-CD1 4.12Å; F157-L204 HydrophobicContact CD1-CD1 3.73Å; F157-L204 HydrophobicContact CD1-CD2 4.05Å; F157-L204 HydrophobicContact CD1-CG 4.11Å; F157-L204 HydrophobicContact CD2-CD1 3.87Å; F157-L204 HydrophobicContact CE1-CD1 4Å; F157-L204 HydrophobicContact CE1-CD2 3.7Å; F157-L204 HydrophobicContact CE1-CG 4.26Å; F157-L204 HydrophobicContact CE2-CD1 4.11Å; F157-L204 HydrophobicContact CG-CD1 3.64Å; F157-L204 HydrophobicContact CG-CG 4.49Å; F157-L204 HydrophobicContact CZ-CD1 4.16Å; F157-L204 HydrophobicContact CZ-CD2 4.12Å; F157-K229 CarbonylContact C-O 3.59Å; F157-V230 HydrophobicContact CD2-CG1 4.23Å; F157-V230 HydrophobicContact CD2-CG2 4.04Å; F157-V230 HydrophobicContact CE2-CG2 4.22Å
158	S	86.3	Confident	75.4	Confident	44 Å²	44	65.6 Å²	65.6	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	102	176.4	-158.5	0	0	0	0	110.6	Q199 Q228 K229	S158-Q199 WeakPolarHBondContact CA-O 3.31Å; S158-Q199 WeakPolarHBondContact CB-O 3.39Å; S158-Q199 PolarHBondContact OG-O 3.17Å; S158-Q228 WeakPolarHBondContact O-CA 3.06Å; S158-K229 PolarHBondContact N-O 3.39Å; S158-K229 PolarHBondContact O-N 3.47Å
159	L	86.3	Confident	73.8	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	35%	0.354	C	S	.	.			trans	-120.2	134.1	172.4	-63.9	-175.7	0	0	0	110.2	F157 T173 F175 G198 L220 Q228 V230	F157-L159 HydrophobicContact CE1-CB 4.22Å; F157-L159 HydrophobicContact CE1-CD1 4.15Å; F157-L159 HydrophobicContact CE1-CG 4.02Å; F157-L159 HydrophobicContact CE2-CD1 4.07Å; F157-L159 HydrophobicContact CE2-CG 4.35Å; F157-L159 HydrophobicContact CZ-CB 4.42Å; F157-L159 HydrophobicContact CZ-CD1 3.52Å; F157-L159 HydrophobicContact CZ-CG 3.83Å; L159-T173 HydrophobicContact CD1-CG2 4.26Å; L159-T173 HydrophobicContact CD2-CG2 4.08Å; L159-F175 HydrophobicContact CD1-CB 3.89Å; L159-G198 PolarHBondContact N-O 2.83Å; L159-G198 CarbonylContact O-C 3.53Å; L159-L220 HydrophobicContact CD1-CD2 4.07Å; L159-L220 HydrophobicContact CD2-CD2 4.3Å; L159-Q228 HydrophobicContact CD2-CB 4.09Å; L159-Q228 HydrophobicContact CD2-CG 4.31Å; L159-V230 HydrophobicContact CD2-CG2 4Å; L159-V230 HydrophobicContact CG-CG2 4.31Å
160	P	73.4	Confident	72.4	Confident	15 Å²	15	72.6 Å²	72.6	10%	0.097	38%	0.375	C	S	.	.			trans	-68.9	138.2	-177.4	20.4	-27.4	0	0	0	112.8	T172 E226 Q228	P160-T172 WeakPolarHBondContact CG-OG1 3.44Å; P160-T172 PolarHBondContact O-N 2.77Å; P160-T172 PolarHBondContact O-OG1 2.85Å; P160-E226 WeakPolarHBondContact CB-OE2 3Å; P160-E226 HydrophobicContact CG-CB 4.02Å; P160-E226 WeakPolarHBondContact CG-OE2 3.07Å; P160-Q228 VanDerWaalsContact CD-NE2 3.34Å; P160-Q228 HydrophobicContact CG-CG 4.06Å
161	M	72	Confident	71.2	Confident	59 Å²	59	73.8 Å²	73.8	29%	0.291	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130	177.2	-61.8	178.3	83.7	0	0	109.9	N169	M161-N169 HydrophobicContact CE-CB 4.04Å
162	K	65.8	Low	70.3	Confident	127 Å²	127	73.6 Å²	73.6	55%	0.552	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.6	169.4	-81.7	178.8	-172.1	170.7	0	109.8	R164 K170 T172	K162-R164 PolarHBondContact O-N 2.85Å; K162-K170 PolarHBondContact O-N 2.98Å; K162-T172 HydrophobicContact CB-CG2 3.94Å; K162-T172 HydrophobicContact CD-CG2 3.48Å; K162-T172 VanDerWaalsContact CD-CG2 3.48Å; K162-T172 HydrophobicContact CG-CG2 3.44Å; K162-T172 VanDerWaalsContact CG-CG2 3.44Å
163	I	55.4	Low	69.7	Low	143 Å²	143	73.6 Å²	73.6	73%	0.733	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.6	173.7	-54.9	170.2	0	0	0	108.2
164	R	52	Low	69.7	Low	147 Å²	147	70.6 Å²	70.6	56%	0.555	37%	0.373	S	S	*	.			trans	-78.7	146.2	165.8	-77.3	-172	172.4	-169.9	-1.1	109.7	K162 T166	K162-R164 PolarHBondContact O-N 2.85Å; R164-T166 PolarHBondContact O-N 2.6Å; R164-T166 VanDerWaalsContact O-N 3.09Å
165	K	52.2	Low	70	Confident	221 Å²	221	70.6 Å²	70.6	96%	0.961	37%	0.373	S	S	*	.	S	Bend	trans	-58.9	-17.2	170.3	-72.1	-176.4	176.5	-179	0	113.6
166	T	48.7	Very low	70.3	Confident	108 Å²	108	67.1 Å²	67.1	66%	0.663	35%	0.354	S	S	*	.	S	Bend	trans	-111.3	70.1	179	57.3	0	0	0	0	110.5	R164 S168	R164-T166 PolarHBondContact O-N 2.6Å; R164-T166 VanDerWaalsContact O-N 3.09Å; T166-S168 PolarHBondContact O-N 3.35Å
167	G	50.1	Low	70.7	Confident	84 Å²	84	62.9 Å²	62.9	87%	0.866	33%	0.334	S	S	*	.	S	Bend	trans	61.6	-17.2	154.2	0	0	0	0	0	121.3
168	S	49	Very low	71.1	Confident	72 Å²	72	62.8 Å²	62.8	50%	0.503	33%	0.334	S	S	.	.			trans	-114.8	118.6	176	75.5	0	0	0	0	111.5	T166 K170	T166-S168 PolarHBondContact O-N 3.35Å; S168-K170 PolarHBondContact O-N 3.25Å
169	N	57.4	Low	71.4	Confident	84 Å²	84	61.3 Å²	61.3	45%	0.449	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	110.8	169.6	-74.8	-14.6	0	0	0	107.7	M161	M161-N169 HydrophobicContact CE-CB 4.04Å
170	K	60.4	Low	71.4	Confident	112 Å²	112	66.7 Å²	66.7	49%	0.487	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.3	169.2	-162.5	-179.5	178	-168	0	107.1	K162 S168 T172	K162-K170 PolarHBondContact O-N 2.98Å; S168-K170 PolarHBondContact O-N 3.25Å; K170-T172 PolarHBondContact O-N 3.09Å
171	C	68.3	Low	71.8	Confident	25 Å²	25	67 Å²	67	17%	0.169	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	133.5	171.1	-53.9	0	0	0	0	108.4	Q174 C197	C171-Q174 HydrophobicContact CB-CG 4.36Å; C171-C197 HydrophobicContact CB-CB 3.48Å; C171-C197 VanDerWaalsContact CB-CB 3.48Å; C171-C197 WeakPolarHBondContact CB-SG 3.45Å; C171-C197 WeakPolarHBondContact SG-CB 3.32Å; C171-C197 CovalentContact SG-SG 2.02Å; C171-C197 PolarHBondContact SG-SG 2.91Å
172	T	75.3	Confident	72.1	Confident	16 Å²	16	72.2 Å²	72.2	10%	0.098	37%	0.372	C	S	.	.	S	Bend	trans	-82	-29.6	176.7	57.2	0	0	0	0	112.5	P160 K162 K170 E222	P160-T172 WeakPolarHBondContact CG-OG1 3.44Å; P160-T172 PolarHBondContact O-N 2.77Å; P160-T172 PolarHBondContact O-OG1 2.85Å; K162-T172 HydrophobicContact CB-CG2 3.94Å; K162-T172 HydrophobicContact CD-CG2 3.48Å; K162-T172 VanDerWaalsContact CD-CG2 3.48Å; K162-T172 HydrophobicContact CG-CG2 3.44Å; K162-T172 VanDerWaalsContact CG-CG2 3.44Å; K170-T172 PolarHBondContact O-N 3.09Å; T172-E222 VanDerWaalsContact O-CB 3.23Å; T172-E222 WeakPolarHBondContact O-CB 3.32Å
173	T	82.4	Confident	72.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-131.8	133.2	173.9	-60.6	0	0	0	0	106.5	L159 L220 D221 E222 I223 T224 Q228	L159-T173 HydrophobicContact CD1-CG2 4.26Å; L159-T173 HydrophobicContact CD2-CG2 4.08Å; T173-L220 HydrophobicContact CG2-CD2 4.24Å; T173-D221 CarbonylContact C-O 3.42Å; T173-D221 VanDerWaalsContact CA-O 3.26Å; T173-D221 WeakPolarHBondContact CA-O 3.41Å; T173-D221 VanDerWaalsContact CG2-O 3.29Å; T173-D221 WeakPolarHBondContact CG2-O 3.45Å; T173-E222 PolarHBondContact OG1-O 2.82Å; T173-I223 HydrophobicContact CG2-CG1 4.15Å; T173-T224 PolarHBondContact OG1-N 2.98Å; T173-Q228 PolarHBondContact OG1-NE2 3.35Å
174	Q	86.2	Confident	74.1	Confident	33 Å²	33	64.4 Å²	64.4	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.2	-175.2	-66	172.6	-31.3	0	0	109.1	C171 K176 E195 L220 D221	C171-Q174 HydrophobicContact CB-CG 4.36Å; Q174-K176 HydrophobicContact CB-CG 4.36Å; Q174-E195 HydrophobicContact CB-CG 4.35Å; Q174-E195 WeakPolarHBondContact CG-OE1 3.24Å; Q174-E195 PolarHBondContact NE2-OE1 2.82Å; Q174-L220 WeakPolarHBondContact O-CA 3.39Å; Q174-D221 HydrophobicContact CB-CB 4.4Å; Q174-D221 PolarHBondContact N-O 3.26Å; Q174-D221 PolarHBondContact O-N 2.86Å
175	F	92	Very high	75.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	104.8	170.1	-177.5	-91.8	0	0	0	108.9	L154 F157 L159 V177 L196 F209 I218 L220 V230	L154-F175 HydrophobicContact CD1-CE1 4.05Å; L154-F175 HydrophobicContact CD1-CZ 4.08Å; L154-F175 HydrophobicContact CD2-CE2 4.36Å; L154-F175 HydrophobicContact CD2-CZ 3.85Å; L154-F175 HydrophobicContact CG-CZ 4.47Å; F157-F175 HydrophobicContact CE2-CB 3.83Å; F157-F175 HydrophobicContact CE2-CD1 4.15Å; F157-F175 AromaticContact CE2-CD2 3.93Å; F157-F175 HydrophobicContact CE2-CD2 3.93Å; F157-F175 AromaticContact CE2-CG 3.72Å; F157-F175 HydrophobicContact CE2-CG 3.72Å; F157-F175 HydrophobicContact CZ-CB 3.93Å; F157-F175 HydrophobicContact CZ-CG 4.31Å; L159-F175 HydrophobicContact CD1-CB 3.89Å; F175-V177 HydrophobicContact CD1-CG2 3.84Å; F175-V177 HydrophobicContact CE1-CG2 3.33Å; F175-V177 HydrophobicContact CZ-CG2 4.19Å; F175-L196 HydrophobicContact CB-CB 4.31Å; F175-L196 WeakPolarHBondContact CB-O 3.34Å; F175-L196 HydrophobicContact CD1-CB 4.17Å; F175-L196 HydrophobicContact CD1-CD1 4.15Å; F175-L196 HydrophobicContact CD1-CG 4.5Å; F175-L196 PolarHBondContact N-O 3.21Å; F175-L196 PolarHBondContact O-N 3.18Å; F175-F209 HydrophobicContact CE1-CE2 4.28Å; F175-F209 HydrophobicContact CE1-CZ 4.43Å; F175-I218 HydrophobicContact CD2-CG2 4Å; F175-I218 HydrophobicContact CE1-CG2 4.16Å; F175-I218 HydrophobicContact CE2-CG2 3.3Å; F175-I218 HydrophobicContact CZ-CD1 4.11Å; F175-I218 HydrophobicContact CZ-CG2 3.4Å; F175-L220 HydrophobicContact CB-CD2 4.24Å; F175-L220 HydrophobicContact CD2-CD2 3.73Å; F175-L220 HydrophobicContact CD2-CG 4.22Å; F175-L220 HydrophobicContact CG-CD2 4.48Å; F175-V230 HydrophobicContact CD2-CG1 4.34Å; F175-V230 HydrophobicContact CE2-CG1 3.87Å
176	K	93.3	Very high	76.9	Confident	21 Å²	21	49.3 Å²	49.3	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	-175.6	-68.6	170.9	-175.1	171.3	0	109.8	Q174 Y178 P192 Y194 E195 I218 E219 D221	Q174-K176 HydrophobicContact CB-CG 4.36Å; K176-Y178 HydrophobicContact CB-CE2 3.81Å; K176-P192 HydrophobicContact CB-CB 3.9Å; K176-P192 HydrophobicContact CD-CG 4.4Å; K176-P192 HydrophobicContact CG-CB 4.08Å; K176-P192 HydrophobicContact CG-CG 4.22Å; K176-Y194 CarbonylContact C-O 3.58Å; K176-Y194 VanDerWaalsContact CA-O 3.3Å; K176-Y194 WeakPolarHBondContact CA-O 3.47Å; K176-E195 HydrophobicContact CG-CG 4.15Å; K176-I218 CarbonylContact O-C 3.48Å; K176-I218 VanDerWaalsContact O-CA 3.31Å; K176-I218 WeakPolarHBondContact O-CA 3.15Å; K176-E219 HydrophobicContact CB-CB 4.16Å; K176-E219 WeakPolarHBondContact CB-O 3.38Å; K176-E219 WeakPolarHBondContact CD-OE2 3.4Å; K176-E219 PolarHBondContact N-O 2.8Å; K176-E219 PolarHBondContact O-N 3.42Å; K176-D221 HydrophobicContact CD-CB 4.39Å; K176-D221 IonicContact NZ-OD2 2.77Å; K176-D221 PolarHBondContact NZ-OD2 3.28Å
177	V	93.5	Very high	78.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.2	176.3	-174.8	0	0	0	0	109.1	F175 H179 D193 Y194 F209 M216 I218	F175-V177 HydrophobicContact CD1-CG2 3.84Å; F175-V177 HydrophobicContact CE1-CG2 3.33Å; F175-V177 HydrophobicContact CZ-CG2 4.19Å; V177-H179 HydrophobicContact CG1-CB 4.31Å; V177-D193 WeakPolarHBondContact O-CB 3.35Å; V177-D193 PolarHBondContact O-N 3.03Å; V177-Y194 HydrophobicContact CB-CD2 4.32Å; V177-Y194 PolarHBondContact N-O 3.36Å; V177-Y194 PolarHBondContact O-N 3.06Å; V177-F209 HydrophobicContact CB-CD1 4.49Å; V177-F209 HydrophobicContact CG1-CB 4.46Å; V177-F209 HydrophobicContact CG1-CD1 4.08Å; V177-F209 HydrophobicContact CG1-CG 4.2Å; V177-F209 HydrophobicContact CG2-CD1 4.31Å; V177-F209 HydrophobicContact CG2-CE1 4.05Å; V177-F209 HydrophobicContact CG2-CE2 4.33Å; V177-F209 HydrophobicContact CG2-CZ 4.08Å; V177-M216 HydrophobicContact CG1-CG 4.41Å; V177-M216 HydrophobicContact CG1-SD 4.28Å; V177-I218 HydrophobicContact CG1-CG1 4.42Å; V177-I218 HydrophobicContact CG2-CG1 4.43Å
178	Y	93.7	Very high	79.6	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	97	175.2	-59.5	-99.1	0	0	0	107.9	K176 L181 L186 D190 Q191 P192 M216 I217 E219	K176-Y178 HydrophobicContact CB-CE2 3.81Å; Y178-L181 HydrophobicContact CG-CD1 4.3Å; Y178-L186 HydrophobicContact CD1-CD2 3.61Å; Y178-L186 HydrophobicContact CD2-CD1 4.38Å; Y178-L186 HydrophobicContact CD2-CD2 3.7Å; Y178-L186 HydrophobicContact CE1-CD2 3.77Å; Y178-L186 HydrophobicContact CE2-CD1 4.19Å; Y178-L186 HydrophobicContact CE2-CD2 3.88Å; Y178-L186 HydrophobicContact CG-CD2 3.57Å; Y178-D190 HydrophobicContact CE1-CB 4.2Å; Y178-Q191 WeakPolarHBondContact CD1-O 3.39Å; Y178-Q191 WeakPolarHBondContact CE1-O 3.48Å; Y178-P192 HydrophobicContact CD1-CB 4.5Å; Y178-P192 VanDerWaalsContact CE1-CA 3.46Å; Y178-P192 HydrophobicContact CE1-CB 4Å; Y178-P192 VanDerWaalsContact CE1-N 3.33Å; Y178-P192 HydrophobicContact CE2-CB 4.13Å; Y178-M216 WeakPolarHBondContact O-CA 3.14Å; Y178-I217 PolarHBondContact N-O 2.91Å; Y178-I217 PolarHBondContact O-N 3Å; Y178-E219 HydrophobicContact CE2-CB 4.19Å
179	H	91.5	Very high	81.2	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.06	26%	0.263	C	S	.	.			trans	-110.7	-7.9	-176.4	79	87.8	0	0	0	112.4	V177 D193 Y194 H210 S211 Y212 M216	V177-H179 HydrophobicContact CG1-CB 4.31Å; H179-D193 WeakPolarHBondContact CD2-CB 3.49Å; H179-D193 IonicContact CD2-OD2 3.9Å; H179-D193 PolarHBondContact CD2-OD2 2.6Å; H179-D193 VanDerWaalsContact CD2-OD2 3.25Å; H179-D193 IonicContact CG-OD2 3.97Å; H179-D193 PolarHBondContact N-OD2 2.74Å; H179-D193 WeakPolarHBondContact NE2-CB 3.46Å; H179-D193 IonicContact NE2-OD1 2.84Å; H179-D193 IonicContact NE2-OD2 3.91Å; H179-Y194 AromaticContact CD2-CD2 3.89Å; H179-Y194 AromaticContact CD2-CE2 3.62Å; H179-Y194 AromaticContact NE2-CE2 3.53Å; H179-H210 PolarHBondContact ND1-O 3.14Å; H179-S211 CarbonylContact O-C 3.58Å; H179-S211 WeakPolarHBondContact O-CA 3.49Å; H179-Y212 WeakPolarHBondContact O-CB 3.48Å; H179-Y212 PolarHBondContact O-N 3.09Å; H179-M216 HydrophobicContact CB-CE 4.05Å; H179-M216 HydrophobicContact CB-CG 4.24Å
180	Q	86	Confident	82.5	Confident	113 Å²	113	51.2 Å²	51.2	53%	0.528	25%	0.251	S	S	.	.	S	Bend	trans	-100	14.3	177.6	-61.8	-173.6	32.5	0	0	114.5	D193	Q180-D193 VanDerWaalsContact CG-OD1 3.23Å; Q180-D193 WeakPolarHBondContact CG-OD1 3.46Å; Q180-D193 PolarHBondContact N-OD2 3.13Å; Q180-D193 PolarHBondContact NE2-OD1 2.85Å; Q180-D193 VanDerWaalsContact NE2-OD1 3.12Å
181	L	83.8	Confident	83.7	Confident	21 Å²	21	53.2 Å²	53.2	11%	0.11	26%	0.262	C	S	.	.			trans	-77.4	137.5	179.1	-63.1	173.1	0	0	0	111.9	Y178 R183 L186 I217	Y178-L181 HydrophobicContact CG-CD1 4.3Å; L181-R183 WeakPolarHBondContact CB-O 3.23Å; L181-L186 HydrophobicContact CD1-CD2 3.77Å; L181-I217 HydrophobicContact CD1-CB 4.28Å; L181-I217 HydrophobicContact CD1-CD1 3.65Å; L181-I217 HydrophobicContact CD1-CG1 3.99Å
182	E	76.7	Confident	84.7	Confident	170 Å²	170	53.5 Å²	53.5	79%	0.794	26%	0.263	S	S	*	.	S	Bend	trans	-84.5	-19.7	171	-63.1	-174.5	163.9	0	0	112.5
183	R	79.9	Confident	85.4	Confident	91 Å²	91	55.2 Å²	55.2	34%	0.343	27%	0.272	S	S	.	.	S	Bend	trans	-121.1	151.9	-176.2	61.9	178.4	-178.1	-157.1	-10.7	110.9	L181 E185 M187 D190 V215	L181-R183 WeakPolarHBondContact CB-O 3.23Å; R183-E185 HydrophobicContact CG-CB 4.27Å; R183-E185 PolarHBondContact NE-O 3.06Å; R183-E185 PolarHBondContact O-N 2.95Å; R183-M187 PolarHBondContact NH1-SD 3.16Å; R183-M187 PolarHBondContact NH2-SD 3.24Å; R183-D190 IonicContact CZ-OD2 3.6Å; R183-D190 IonicContact NH2-OD1 2.68Å; R183-D190 PolarHBondContact NH2-OD1 2.88Å; R183-D190 IonicContact NH2-OD2 3.17Å; R183-D190 PolarHBondContact NH2-OD2 2.72Å; R183-V215 WeakPolarHBondContact O-CG1 3.33Å
184	A	83.9	Confident	85.6	Confident	15 Å²	15	58 Å²	58	12%	0.124	28%	0.282	C	S	.	.	S	Bend	trans	-82.1	34	179	0	0	0	0	0	113.7	I92 T141 V143 V215	I92-A184 HydrophobicContact CD1-CB 3.28Å; T141-A184 HydrophobicContact CG2-CB 4.29Å; V143-A184 HydrophobicContact CG2-CB 3.68Å; A184-V215 HydrophobicContact CB-CG1 3.99Å; A184-V215 HydrophobicContact CB-CG2 3.95Å
185	E	81.2	Confident	85.7	Confident	46 Å²	46	61.3 Å²	61.3	22%	0.215	30%	0.298	C	S	.	.			trans	-139.6	135.6	-172.3	-66.7	154.5	-144	0	0	111.4	D94 Q95 R183	D94-E185 HydrophobicContact CB-CG 3.74Å; D94-E185 WeakPolarHBondContact CB-OE1 3.46Å; D94-E185 WeakPolarHBondContact CB-OE2 3.42Å; Q95-E185 HydrophobicContact CB-CG 4.36Å; R183-E185 HydrophobicContact CG-CB 4.27Å; R183-E185 PolarHBondContact NE-O 3.06Å; R183-E185 PolarHBondContact O-N 2.95Å
186	L	81.3	Confident	85.4	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	30%	0.3	C	S	.	.			trans	-94.1	130.9	169.5	-67.7	175.9	0	0	0	110.2	Y98 I139 Y178 L181 I217	Y98-L186 VanDerWaalsContact CB-O 3.27Å; Y98-L186 WeakPolarHBondContact CB-O 3.35Å; Y98-L186 HydrophobicContact CD1-CB 3.96Å; Y98-L186 HydrophobicContact CD2-CB 4.28Å; Y98-L186 VanDerWaalsContact CD2-O 3.23Å; Y98-L186 WeakPolarHBondContact CD2-O 3.44Å; Y98-L186 HydrophobicContact CE1-CB 3.95Å; Y98-L186 HydrophobicContact CE1-CD1 4Å; Y98-L186 HydrophobicContact CE2-CB 4.24Å; Y98-L186 HydrophobicContact CG-CB 4.12Å; Y98-L186 VanDerWaalsContact CG-O 3.28Å; I139-L186 HydrophobicContact CD1-CD1 4.38Å; I139-L186 HydrophobicContact CG2-CD1 4.38Å; Y178-L186 HydrophobicContact CD1-CD2 3.61Å; Y178-L186 HydrophobicContact CD2-CD1 4.38Å; Y178-L186 HydrophobicContact CD2-CD2 3.7Å; Y178-L186 HydrophobicContact CE1-CD2 3.77Å; Y178-L186 HydrophobicContact CE2-CD1 4.19Å; Y178-L186 HydrophobicContact CE2-CD2 3.88Å; Y178-L186 HydrophobicContact CG-CD2 3.57Å; L181-L186 HydrophobicContact CD1-CD2 3.77Å; L186-I217 HydrophobicContact CD1-CG2 3.6Å; L186-I217 HydrophobicContact CD2-CB 4.4Å; L186-I217 HydrophobicContact CD2-CD1 4.2Å; L186-I217 HydrophobicContact CD2-CG2 4.33Å; L186-I217 HydrophobicContact CG-CB 4.4Å; L186-I217 HydrophobicContact CG-CD1 3.86Å; L186-I217 HydrophobicContact CG-CG2 3.9Å
187	M	78.5	Confident	85	Confident	93 Å²	93	61.8 Å²	61.8	46%	0.458	30%	0.303	S	S	.	.			trans	-107.5	160	167.1	-70.1	-173.8	75.4	0	0	111.1	R183 N189 D190	R183-M187 PolarHBondContact NH1-SD 3.16Å; R183-M187 PolarHBondContact NH2-SD 3.24Å; M187-N189 PolarHBondContact O-N 3Å; M187-D190 PolarHBondContact N-OD2 3.02Å; M187-D190 WeakPolarHBondContact O-CB 3.27Å; M187-D190 PolarHBondContact O-N 3.4Å
188	N	77.3	Confident	84.5	Confident	123 Å²	123	61.8 Å²	61.8	66%	0.658	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.1	178.1	-69.2	-14	0	0	0	114.6	Y98	Y98-N188 WeakPolarHBondContact CD2-OD1 2.76Å; Y98-N188 WeakPolarHBondContact CE2-OD1 3.43Å
189	N	81.7	Confident	83.8	Confident	135 Å²	135	66 Å²	66	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.2	-179.5	-64.2	-10.5	0	0	0	113.3	M187 Q191	M187-N189 PolarHBondContact O-N 3Å; N189-Q191 PolarHBondContact O-N 3.38Å
190	D	85.1	Confident	83.1	Confident	37 Å²	37	70.8 Å²	70.8	20%	0.198	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-71.8	127	-176.2	-65.8	-24.2	0	0	0	109.9	Y178 R183 M187	Y178-D190 HydrophobicContact CE1-CB 4.2Å; R183-D190 IonicContact CZ-OD2 3.6Å; R183-D190 IonicContact NH2-OD1 2.68Å; R183-D190 PolarHBondContact NH2-OD1 2.88Å; R183-D190 IonicContact NH2-OD2 3.17Å; R183-D190 PolarHBondContact NH2-OD2 2.72Å; M187-D190 PolarHBondContact N-OD2 3.02Å; M187-D190 WeakPolarHBondContact O-CB 3.27Å; M187-D190 PolarHBondContact O-N 3.4Å
191	Q	86.3	Confident	82.4	Confident	153 Å²	153	67 Å²	67	72%	0.715	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-94.5	137.4	179.3	-64.5	-60.3	-57.1	0	0	110.3	Y178 N189	Y178-Q191 WeakPolarHBondContact CD1-O 3.39Å; Y178-Q191 WeakPolarHBondContact CE1-O 3.48Å; N189-Q191 PolarHBondContact O-N 3.38Å
192	P	89.9	Confident	81.7	Confident	31 Å²	31	73.4 Å²	73.4	20%	0.201	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.4	140.7	176.8	29.1	-34	0	0	0	110.7	K176 Y178	K176-P192 HydrophobicContact CB-CB 3.9Å; K176-P192 HydrophobicContact CD-CG 4.4Å; K176-P192 HydrophobicContact CG-CB 4.08Å; K176-P192 HydrophobicContact CG-CG 4.22Å; Y178-P192 HydrophobicContact CD1-CB 4.5Å; Y178-P192 VanDerWaalsContact CE1-CA 3.46Å; Y178-P192 HydrophobicContact CE1-CB 4Å; Y178-P192 VanDerWaalsContact CE1-N 3.33Å; Y178-P192 HydrophobicContact CE2-CB 4.13Å
193	D	89	Confident	81.3	Confident	52 Å²	52	70.1 Å²	70.1	28%	0.278	35%	0.348	S	S	.	.	S	Bend	trans	-73.3	-37.9	174.6	-65.9	-67.5	0	0	0	111.2	V177 H179 Q180	V177-D193 WeakPolarHBondContact O-CB 3.35Å; V177-D193 PolarHBondContact O-N 3.03Å; H179-D193 WeakPolarHBondContact CD2-CB 3.49Å; H179-D193 IonicContact CD2-OD2 3.9Å; H179-D193 PolarHBondContact CD2-OD2 2.6Å; H179-D193 VanDerWaalsContact CD2-OD2 3.25Å; H179-D193 IonicContact CG-OD2 3.97Å; H179-D193 PolarHBondContact N-OD2 2.74Å; H179-D193 WeakPolarHBondContact NE2-CB 3.46Å; H179-D193 IonicContact NE2-OD1 2.84Å; H179-D193 IonicContact NE2-OD2 3.91Å; Q180-D193 VanDerWaalsContact CG-OD1 3.23Å; Q180-D193 WeakPolarHBondContact CG-OD1 3.46Å; Q180-D193 PolarHBondContact N-OD2 3.13Å; Q180-D193 PolarHBondContact NE2-OD1 2.85Å; Q180-D193 VanDerWaalsContact NE2-OD1 3.12Å
194	Y	87.5	Confident	80.7	Confident	58 Å²	58	66.5 Å²	66.5	23%	0.227	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.5	172.3	-61.3	-82.4	0	0	0	110.1	K176 V177 H179 V206 F209	K176-Y194 CarbonylContact C-O 3.58Å; K176-Y194 VanDerWaalsContact CA-O 3.3Å; K176-Y194 WeakPolarHBondContact CA-O 3.47Å; V177-Y194 HydrophobicContact CB-CD2 4.32Å; V177-Y194 PolarHBondContact N-O 3.36Å; V177-Y194 PolarHBondContact O-N 3.06Å; H179-Y194 AromaticContact CD2-CD2 3.89Å; H179-Y194 AromaticContact CD2-CE2 3.62Å; H179-Y194 AromaticContact NE2-CE2 3.53Å; Y194-V206 HydrophobicContact CD1-CG2 4.49Å; Y194-V206 HydrophobicContact CE1-CB 4.31Å; Y194-V206 HydrophobicContact CE1-CG2 3.86Å; Y194-F209 AromaticContact CD2-CD1 3.82Å; Y194-F209 HydrophobicContact CD2-CD1 3.82Å; Y194-F209 AromaticContact CD2-CE1 3.76Å; Y194-F209 HydrophobicContact CD2-CE1 3.76Å; Y194-F209 AromaticContact CE2-CD1 3.98Å; Y194-F209 HydrophobicContact CE2-CD1 3.98Å; Y194-F209 HydrophobicContact CE2-CE1 4.19Å; Y194-F209 HydrophobicContact CG-CD1 4.5Å; Y194-F209 AromaticContact CG-CE1 3.98Å; Y194-F209 HydrophobicContact CG-CE1 3.98Å
195	E	87.6	Confident	80	Confident	103 Å²	103	70.9 Å²	70.9	48%	0.481	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.6	169.8	-168.8	-176.2	153.7	0	0	108.5	Q174 K176	Q174-E195 HydrophobicContact CB-CG 4.35Å; Q174-E195 WeakPolarHBondContact CG-OE1 3.24Å; Q174-E195 PolarHBondContact NE2-OE1 2.82Å; K176-E195 HydrophobicContact CG-CG 4.15Å
196	L	86.4	Confident	79.8	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.047	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.8	-166.9	-56.9	-179.3	0	0	0	111.6	F175 L204 P205 V206 F209	F175-L196 HydrophobicContact CB-CB 4.31Å; F175-L196 WeakPolarHBondContact CB-O 3.34Å; F175-L196 HydrophobicContact CD1-CB 4.17Å; F175-L196 HydrophobicContact CD1-CD1 4.15Å; F175-L196 HydrophobicContact CD1-CG 4.5Å; F175-L196 PolarHBondContact N-O 3.21Å; F175-L196 PolarHBondContact O-N 3.18Å; L196-L204 HydrophobicContact CB-CD2 4.13Å; L196-P205 HydrophobicContact CD2-CG 3.69Å; L196-V206 WeakPolarHBondContact CD1-O 3.27Å; L196-F209 HydrophobicContact CD1-CE1 4.16Å; L196-F209 HydrophobicContact CD1-CZ 3.6Å
197	C	84.3	Confident	79.9	Confident	22 Å²	22	72.1 Å²	72.1	15%	0.149	37%	0.369	C	S	.	.			trans	-155.7	156.6	165.4	78.7	0	0	0	0	110.2	C171	C171-C197 HydrophobicContact CB-CB 3.48Å; C171-C197 VanDerWaalsContact CB-CB 3.48Å; C171-C197 WeakPolarHBondContact CB-SG 3.45Å; C171-C197 WeakPolarHBondContact SG-CB 3.32Å; C171-C197 CovalentContact SG-SG 2.02Å; C171-C197 PolarHBondContact SG-SG 2.91Å
198	G	82.3	Confident	80.3	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.01	35%	0.353	C	S	.	.			trans	162.7	156.6	-169.8	0	0	0	0	0	111.9	F157 L159	F157-G198 WeakPolarHBondContact CD1-O 3.31Å; F157-G198 VanDerWaalsContact CE1-O 3.29Å; F157-G198 WeakPolarHBondContact CE1-O 3.48Å; L159-G198 PolarHBondContact N-O 2.83Å; L159-G198 CarbonylContact O-C 3.53Å
199	Q	79.5	Confident	81	Confident	96 Å²	96	63.2 Å²	63.2	45%	0.449	32%	0.323	S	S	.	.	S	Bend	trans	-87.3	-20.9	-178.4	-68.3	-179.4	-32.4	0	0	113.1	F157 S158	F157-Q199 CarbonylContact O-C 3.52Å; S158-Q199 WeakPolarHBondContact CA-O 3.31Å; S158-Q199 WeakPolarHBondContact CB-O 3.39Å; S158-Q199 PolarHBondContact OG-O 3.17Å
200	H	76.4	Confident	81.5	Confident	112 Å²	112	57.5 Å²	57.5	52%	0.519	29%	0.292	S	S	.	.	S	Bend	trans	-143.5	151.5	-176.3	-59.1	-68.7	0	0	0	111.2	F157 N202 Q203	F157-H200 VanDerWaalsContact O-CA 3.3Å; F157-H200 WeakPolarHBondContact O-CA 3.38Å; F157-H200 PolarHBondContact O-N 3.1Å; H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.69Å; H200-Q203 HydrophobicContact CB-CG 4.46Å; H200-Q203 WeakPolarHBondContact O-CB 2.94Å; H200-Q203 PolarHBondContact O-N 3.43Å; H200-Q203 VanDerWaalsContact O-N 3.08Å
201	L	71.2	Confident	81.9	Confident	34 Å²	34	55.9 Å²	55.9	18%	0.178	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.3	-41.1	179.3	-160.3	74	0	0	0	113.1	L154 F157 Q203 L204 H207	L154-L201 HydrophobicContact CB-CD1 3.59Å; F157-L201 HydrophobicContact CB-CD1 3.93Å; L201-Q203 PolarHBondContact O-N 2.82Å; L201-Q203 VanDerWaalsContact O-N 3.15Å; L201-L204 HydrophobicContact CD1-CD1 4.39Å; L201-L204 WeakPolarHBondContact O-CB 3.26Å; L201-L204 PolarHBondContact O-N 3Å; L201-H207 HydrophobicContact CD1-CB 3.7Å; L201-H207 HydrophobicContact CG-CB 4.04Å
202	N	69.7	Low	81.9	Confident	156 Å²	156	53.4 Å²	53.4	83%	0.834	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-67.8	-13.1	-177.8	-61.2	-4.6	0	0	0	113.9	H200	H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.69Å
203	Q	68.1	Low	81.8	Confident	101 Å²	101	52.6 Å²	52.6	47%	0.472	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-85	-14.6	174.4	-64.3	174.8	-9.2	0	0	112.1	H200 L201	H200-Q203 HydrophobicContact CB-CG 4.46Å; H200-Q203 WeakPolarHBondContact O-CB 2.94Å; H200-Q203 PolarHBondContact O-N 3.43Å; H200-Q203 VanDerWaalsContact O-N 3.08Å; L201-Q203 PolarHBondContact O-N 2.82Å; L201-Q203 VanDerWaalsContact O-N 3.15Å
204	L	67.8	Low	81.9	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	27%	0.268	C	S	.	.	S	Bend	trans	-81.3	138.7	-178.1	-60.6	-176.5	0	0	0	110.9	L154 F157 L196 L201 V206	L154-L204 HydrophobicContact CD1-CD1 4.06Å; F157-L204 HydrophobicContact CB-CD1 4.12Å; F157-L204 HydrophobicContact CD1-CD1 3.73Å; F157-L204 HydrophobicContact CD1-CD2 4.05Å; F157-L204 HydrophobicContact CD1-CG 4.11Å; F157-L204 HydrophobicContact CD2-CD1 3.87Å; F157-L204 HydrophobicContact CE1-CD1 4Å; F157-L204 HydrophobicContact CE1-CD2 3.7Å; F157-L204 HydrophobicContact CE1-CG 4.26Å; F157-L204 HydrophobicContact CE2-CD1 4.11Å; F157-L204 HydrophobicContact CG-CD1 3.64Å; F157-L204 HydrophobicContact CG-CG 4.49Å; F157-L204 HydrophobicContact CZ-CD1 4.16Å; F157-L204 HydrophobicContact CZ-CD2 4.12Å; L196-L204 HydrophobicContact CB-CD2 4.13Å; L201-L204 HydrophobicContact CD1-CD1 4.39Å; L201-L204 WeakPolarHBondContact O-CB 3.26Å; L201-L204 PolarHBondContact O-N 3Å; L204-V206 VanDerWaalsContact C-N 3.28Å; L204-V206 PolarHBondContact O-N 3.16Å
205	P	68.7	Low	82	Confident	107 Å²	107	51.8 Å²	51.8	70%	0.695	26%	0.258	S	S	*	.	S	Bend	trans	-66.4	-30.9	174.8	27.6	-35.2	0	0	0	112.5	L196	L196-P205 HydrophobicContact CD2-CG 3.69Å
206	V	78.1	Confident	82.3	Confident	14 Å²	14	46.9 Å²	46.9	9%	0.085	24%	0.235	C	C	.	.			trans	-145.1	138.6	-179.9	-176.5	0	0	0	0	108.6	Y194 L196 L204 D208 F209 F307	Y194-V206 HydrophobicContact CD1-CG2 4.49Å; Y194-V206 HydrophobicContact CE1-CB 4.31Å; Y194-V206 HydrophobicContact CE1-CG2 3.86Å; L196-V206 WeakPolarHBondContact CD1-O 3.27Å; L204-V206 VanDerWaalsContact C-N 3.28Å; L204-V206 PolarHBondContact O-N 3.16Å; V206-D208 WeakPolarHBondContact CG1-O 3.47Å; V206-F209 HydrophobicContact CB-CE1 4.05Å; V206-F209 HydrophobicContact CB-CZ 4.44Å; V206-F209 HydrophobicContact CG1-CD1 3.97Å; V206-F209 HydrophobicContact CG1-CE1 3.62Å; V206-F209 HydrophobicContact CG1-CZ 4.15Å; V206-F209 WeakPolarHBondContact O-CZ 3.42Å; V206-F307 HydrophobicContact CG1-CZ 4.33Å; V206-F307 HydrophobicContact CG2-CE2 3.75Å; V206-F307 HydrophobicContact CG2-CZ 4.06Å
207	H	83.5	Confident	82.6	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.292	23%	0.233	S	C	.	.			trans	-139.2	10.8	178	61.4	-89.5	0	0	0	113.1	L154 L201	L154-H207 HydrophobicContact CB-CB 4.21Å; L154-H207 HydrophobicContact CD1-CB 4.38Å; L154-H207 PolarHBondContact N-O 3.48Å; L201-H207 HydrophobicContact CD1-CB 3.7Å; L201-H207 HydrophobicContact CG-CB 4.04Å
208	D	86.5	Confident	83.2	Confident	25 Å²	25	45.4 Å²	45.4	13%	0.134	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	113.8	-179.5	175.9	-28.2	0	0	0	107.4	H151 V152 R153 V206 H210 R419	H151-D208 IonicContact CD2-OD1 3.27Å; H151-D208 PolarHBondContact CD2-OD1 3.18Å; H151-D208 VanDerWaalsContact CD2-OD1 3.28Å; H151-D208 IonicContact NE2-OD1 3.94Å; H151-D208 PolarHBondContact NE2-OD1 2.98Å; H151-D208 IonicContact NE2-OD2 2.77Å; V152-D208 WeakPolarHBondContact O-CA 3.33Å; R153-D208 HydrophobicContact CG-CB 4.41Å; V206-D208 WeakPolarHBondContact CG1-O 3.47Å; D208-H210 IonicContact OD1-CE1 3Å; D208-H210 PolarHBondContact OD1-CE1 2.75Å; D208-H210 IonicContact OD1-ND1 3.25Å; D208-H210 PolarHBondContact OD1-ND1 3.39Å; D208-R419 IonicContact OD1-CZ 3.66Å; D208-R419 IonicContact OD1-NH1 2.95Å; D208-R419 IonicContact OD1-NH2 2.64Å; D208-R419 PolarHBondContact OD1-NH2 2.98Å; D208-R419 IonicContact OD2-CZ 3.15Å; D208-R419 IonicContact OD2-NH1 3.81Å; D208-R419 PolarHBondContact OD2-NH1 3.17Å; D208-R419 IonicContact OD2-NH2 3.16Å; D208-R419 PolarHBondContact OD2-NH2 3.19Å; D208-R419 VanDerWaalsContact OD2-NH2 3.08Å
209	F	91.5	Very high	83.6	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.4	-166.2	-53.2	-81.6	0	0	0	110.6	H151 V152 L154 F175 V177 Y194 L196 V206 M216	H151-F209 CarbonylContact C-O 3.51Å; H151-F209 WeakPolarHBondContact CA-O 3.26Å; H151-F209 PolarHBondContact CD2-O 3.36Å; V152-F209 PolarHBondContact N-O 3.37Å; V152-F209 PolarHBondContact O-N 3.01Å; L154-F209 HydrophobicContact CD1-CE2 3.93Å; L154-F209 HydrophobicContact CG-CE2 4.11Å; F175-F209 HydrophobicContact CE1-CE2 4.28Å; F175-F209 HydrophobicContact CE1-CZ 4.43Å; V177-F209 HydrophobicContact CB-CD1 4.49Å; V177-F209 HydrophobicContact CG1-CB 4.46Å; V177-F209 HydrophobicContact CG1-CD1 4.08Å; V177-F209 HydrophobicContact CG1-CG 4.2Å; V177-F209 HydrophobicContact CG2-CD1 4.31Å; V177-F209 HydrophobicContact CG2-CE1 4.05Å; V177-F209 HydrophobicContact CG2-CE2 4.33Å; V177-F209 HydrophobicContact CG2-CZ 4.08Å; Y194-F209 AromaticContact CD2-CD1 3.82Å; Y194-F209 HydrophobicContact CD2-CD1 3.82Å; Y194-F209 AromaticContact CD2-CE1 3.76Å; Y194-F209 HydrophobicContact CD2-CE1 3.76Å; Y194-F209 AromaticContact CE2-CD1 3.98Å; Y194-F209 HydrophobicContact CE2-CD1 3.98Å; Y194-F209 HydrophobicContact CE2-CE1 4.19Å; Y194-F209 HydrophobicContact CG-CD1 4.5Å; Y194-F209 AromaticContact CG-CE1 3.98Å; Y194-F209 HydrophobicContact CG-CE1 3.98Å; L196-F209 HydrophobicContact CD1-CE1 4.16Å; L196-F209 HydrophobicContact CD1-CZ 3.6Å; V206-F209 HydrophobicContact CB-CE1 4.05Å; V206-F209 HydrophobicContact CB-CZ 4.44Å; V206-F209 HydrophobicContact CG1-CD1 3.97Å; V206-F209 HydrophobicContact CG1-CE1 3.62Å; V206-F209 HydrophobicContact CG1-CZ 4.15Å; V206-F209 WeakPolarHBondContact O-CZ 3.42Å; F209-M216 HydrophobicContact CB-CE 3.97Å; F209-M216 HydrophobicContact CB-SD 4.04Å
210	H	92.8	Very high	84.2	Confident	16 Å²	16	40.8 Å²	40.8	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.9	174.9	-68.5	73.9	0	0	0	109.6	V150 H151 H179 D208 M216 P305 R306	V150-H210 CarbonylContact O-C 3.59Å; V150-H210 WeakPolarHBondContact O-CA 3.04Å; H151-H210 AromaticContact CD2-CE1 3.22Å; H151-H210 PolarHBondContact CD2-CE1 3.32Å; H151-H210 AromaticContact CD2-ND1 3.7Å; H151-H210 AromaticContact CD2-NE2 3.49Å; H151-H210 PolarHBondContact CD2-NE2 3.1Å; H151-H210 AromaticContact CG-CD2 3.95Å; H151-H210 AromaticContact CG-CE1 3.74Å; H151-H210 AromaticContact CG-NE2 3.5Å; H151-H210 AromaticContact NE2-CE1 3.64Å; H179-H210 PolarHBondContact ND1-O 3.14Å; D208-H210 IonicContact OD1-CE1 3Å; D208-H210 PolarHBondContact OD1-CE1 2.75Å; D208-H210 IonicContact OD1-ND1 3.25Å; D208-H210 PolarHBondContact OD1-ND1 3.39Å; H210-M216 VanDerWaalsContact C-CE 3.46Å; H210-P305 HydrophobicContact CB-CG 4.13Å; H210-P305 WeakPolarHBondContact CD2-CG 3.32Å; H210-R306 HydrophobicContact CB-CG 3.72Å; H210-R306 VanDerWaalsContact O-CD 3.22Å; H210-R306 WeakPolarHBondContact O-CD 3.36Å; H210-R306 WeakPolarHBondContact O-CG 3.32Å
211	S	93.1	Very high	84.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	19%	0.186	C	C	.	.			trans	-76.5	157.1	-179.6	58.4	0	0	0	0	112.7	V150 H179 G213 V215	V150-S211 WeakPolarHBondContact CB-OG 3.28Å; V150-S211 PolarHBondContact N-OG 2.87Å; V150-S211 PolarHBondContact O-N 2.9Å; V150-S211 PolarHBondContact O-OG 2.85Å; H179-S211 CarbonylContact O-C 3.58Å; H179-S211 WeakPolarHBondContact O-CA 3.49Å; S211-G213 VanDerWaalsContact CB-O 3.29Å; S211-G213 WeakPolarHBondContact CB-O 3.24Å; S211-G213 PolarHBondContact OG-O 3.31Å; S211-V215 WeakPolarHBondContact CB-O 3.11Å
212	Y	86	Confident	85.2	Confident	102 Å²	102	38.9 Å²	38.9	40%	0.4	20%	0.195	S	C	.	.	S	Bend	trans	-68.4	-37	172.9	170.7	-115.1	0	0	0	112.3	H179	H179-Y212 WeakPolarHBondContact O-CB 3.48Å; H179-Y212 PolarHBondContact O-N 3.09Å
213	G	87.8	Confident	85.6	Confident	13 Å²	13	32.6 Å²	32.6	13%	0.134	16%	0.161	C	C	.	.	S	Bend	trans	-140.8	-149.3	178.5	0	0	0	0	0	110.7	S211 V215	S211-G213 VanDerWaalsContact CB-O 3.29Å; S211-G213 WeakPolarHBondContact CB-O 3.24Å; S211-G213 PolarHBondContact OG-O 3.31Å; G213-V215 PolarHBondContact O-N 3.16Å; G213-V215 VanDerWaalsContact O-N 3.09Å
214	R	90.4	Very high	85.9	Confident	89 Å²	89	29.4 Å²	29.4	34%	0.336	15%	0.149	S	C	.	.	S	Bend	trans	-73.4	3.3	-175.2	69.7	-176.1	-69.6	-176.6	3.9	115.8	V143 G144 D145 E148	V143-R214 CarbonylContact C-O 3.51Å; V143-R214 WeakPolarHBondContact CA-O 3.47Å; G144-R214 PolarHBondContact N-O 2.71Å; G144-R214 PolarHBondContact O-NE 3.45Å; G144-R214 PolarHBondContact O-NH2 2.91Å; D145-R214 VanDerWaalsContact O-CB 3.29Å; D145-R214 WeakPolarHBondContact O-CB 3.37Å; D145-R214 IonicContact OD1-NH2 3.06Å; E148-R214 VanDerWaalsContact O-CA 3.24Å; E148-R214 WeakPolarHBondContact O-CA 3.41Å; E148-R214 PolarHBondContact O-N 2.7Å
215	V	90.4	Very high	86.1	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.4	-173.1	179.8	0	0	0	0	111.4	F142 R183 A184 S211 G213 I217	F142-V215 WeakPolarHBondContact O-CA 3.48Å; R183-V215 WeakPolarHBondContact O-CG1 3.33Å; A184-V215 HydrophobicContact CB-CG1 3.99Å; A184-V215 HydrophobicContact CB-CG2 3.95Å; S211-V215 WeakPolarHBondContact CB-O 3.11Å; G213-V215 PolarHBondContact O-N 3.16Å; G213-V215 VanDerWaalsContact O-N 3.09Å; V215-I217 HydrophobicContact CG1-CG1 4.13Å
216	M	93.9	Very high	86.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.4	162.4	-168.3	178.5	-65.7	0	0	109.6	F142 V150 V152 V177 Y178 H179 F209 H210	F142-M216 HydrophobicContact CB-CB 4.38Å; F142-M216 HydrophobicContact CD2-CB 4.35Å; F142-M216 PolarHBondContact N-O 3.36Å; F142-M216 PolarHBondContact O-N 2.65Å; V150-M216 HydrophobicContact CB-CB 3.94Å; V150-M216 HydrophobicContact CB-CE 4.32Å; V150-M216 HydrophobicContact CG1-CB 3.98Å; V150-M216 HydrophobicContact CG1-CE 4.46Å; V150-M216 HydrophobicContact CG2-CB 4.26Å; V150-M216 WeakPolarHBondContact O-CE 3.4Å; V152-M216 HydrophobicContact CB-SD 3.92Å; V152-M216 HydrophobicContact CG2-SD 3.65Å; V177-M216 HydrophobicContact CG1-CG 4.41Å; V177-M216 HydrophobicContact CG1-SD 4.28Å; Y178-M216 WeakPolarHBondContact O-CA 3.14Å; H179-M216 HydrophobicContact CB-CE 4.05Å; H179-M216 HydrophobicContact CB-CG 4.24Å; F209-M216 HydrophobicContact CB-CE 3.97Å; F209-M216 HydrophobicContact CB-SD 4.04Å; H210-M216 VanDerWaalsContact C-CE 3.46Å
217	I	93.6	Very high	86.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134	174.4	-53.8	-179.4	0	0	0	109.3	I139 Y140 T141 Y178 L181 L186 V215	I139-I217 HydrophobicContact CG2-CG2 3.53Å; Y140-I217 CarbonylContact O-C 3.47Å; Y140-I217 WeakPolarHBondContact O-CA 3.12Å; T141-I217 HydrophobicContact CG2-CD1 4.43Å; T141-I217 HydrophobicContact CG2-CG1 4.19Å; Y178-I217 PolarHBondContact N-O 2.91Å; Y178-I217 PolarHBondContact O-N 3Å; L181-I217 HydrophobicContact CD1-CB 4.28Å; L181-I217 HydrophobicContact CD1-CD1 3.65Å; L181-I217 HydrophobicContact CD1-CG1 3.99Å; L186-I217 HydrophobicContact CD1-CG2 3.6Å; L186-I217 HydrophobicContact CD2-CB 4.4Å; L186-I217 HydrophobicContact CD2-CD1 4.2Å; L186-I217 HydrophobicContact CD2-CG2 4.33Å; L186-I217 HydrophobicContact CG-CB 4.4Å; L186-I217 HydrophobicContact CG-CD1 3.86Å; L186-I217 HydrophobicContact CG-CG2 3.9Å; V215-I217 HydrophobicContact CG1-CG1 4.13Å
218	I	95	Very high	86.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.6	175.7	-61.7	177.8	0	0	0	107.9	F119 I139 Y140 F142 V152 F175 K176 V177	F119-I218 HydrophobicContact CZ-CD1 4.11Å; I139-I218 CarbonylContact C-O 3.59Å; I139-I218 WeakPolarHBondContact CA-O 3.39Å; Y140-I218 HydrophobicContact CD2-CG2 4.49Å; Y140-I218 PolarHBondContact N-O 3.39Å; Y140-I218 PolarHBondContact O-N 2.96Å; F142-I218 HydrophobicContact CE2-CD1 3.89Å; F142-I218 HydrophobicContact CE2-CG1 4.21Å; V152-I218 HydrophobicContact CB-CD1 4.39Å; V152-I218 HydrophobicContact CG1-CD1 3.76Å; V152-I218 HydrophobicContact CG2-CD1 4.34Å; F175-I218 HydrophobicContact CD2-CG2 4Å; F175-I218 HydrophobicContact CE1-CG2 4.16Å; F175-I218 HydrophobicContact CE2-CG2 3.3Å; F175-I218 HydrophobicContact CZ-CD1 4.11Å; F175-I218 HydrophobicContact CZ-CG2 3.4Å; K176-I218 CarbonylContact O-C 3.48Å; K176-I218 VanDerWaalsContact O-CA 3.31Å; K176-I218 WeakPolarHBondContact O-CA 3.15Å; V177-I218 HydrophobicContact CG1-CG1 4.42Å; V177-I218 HydrophobicContact CG2-CG1 4.43Å
219	E	92.7	Very high	86.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.1	177.5	178.3	-174.4	-145.9	0	0	109.7	K102 I138 I139 K176 Y178 D221	K102-E219 WeakPolarHBondContact CD-OE1 3.43Å; K102-E219 IonicContact NZ-OE1 2.64Å; K102-E219 PolarHBondContact NZ-OE1 3.06Å; K102-E219 IonicContact NZ-OE2 3.08Å; K102-E219 PolarHBondContact NZ-OE2 3.18Å; I138-E219 CarbonylContact O-C 3.45Å; I138-E219 WeakPolarHBondContact O-CA 3.34Å; I139-E219 HydrophobicContact CG1-CB 4.42Å; I139-E219 HydrophobicContact CG1-CG 4.18Å; K176-E219 HydrophobicContact CB-CB 4.16Å; K176-E219 WeakPolarHBondContact CB-O 3.38Å; K176-E219 WeakPolarHBondContact CD-OE2 3.4Å; K176-E219 PolarHBondContact N-O 2.8Å; K176-E219 PolarHBondContact O-N 3.42Å; Y178-E219 HydrophobicContact CE2-CB 4.19Å; E219-D221 HydrophobicContact CG-CB 4.28Å
220	L	90.3	Very high	86	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.1	162.3	-79	167.3	0	0	0	107.5	F121 C137 I138 Y140 L159 T173 Q174 F175 I223 V230	F121-L220 HydrophobicContact CB-CD1 3.84Å; F121-L220 HydrophobicContact CD1-CD1 3.57Å; F121-L220 HydrophobicContact CD2-CD1 4.37Å; F121-L220 HydrophobicContact CE1-CD1 4.21Å; F121-L220 HydrophobicContact CG-CD1 3.66Å; C137-L220 CarbonylContact C-O 3.41Å; C137-L220 WeakPolarHBondContact CA-O 3.32Å; I138-L220 HydrophobicContact CB-CB 4.32Å; I138-L220 PolarHBondContact N-O 3.21Å; I138-L220 PolarHBondContact O-N 3.14Å; Y140-L220 HydrophobicContact CE2-CD1 4.27Å; L159-L220 HydrophobicContact CD1-CD2 4.07Å; L159-L220 HydrophobicContact CD2-CD2 4.3Å; T173-L220 HydrophobicContact CG2-CD2 4.24Å; Q174-L220 WeakPolarHBondContact O-CA 3.39Å; F175-L220 HydrophobicContact CB-CD2 4.24Å; F175-L220 HydrophobicContact CD2-CD2 3.73Å; F175-L220 HydrophobicContact CD2-CG 4.22Å; F175-L220 HydrophobicContact CG-CD2 4.48Å; L220-I223 HydrophobicContact CB-CD1 4.08Å; L220-I223 HydrophobicContact CB-CG1 4.23Å; L220-V230 HydrophobicContact CD2-CG2 4.37Å
221	D	86.6	Confident	85.8	Confident	24 Å²	24	43.6 Å²	43.6	13%	0.128	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	155.2	-178.4	-157.9	-2.9	0	0	0	110.9	K102 T173 Q174 K176 E219 I223	K102-D221 IonicContact NZ-OD2 3.53Å; K102-D221 PolarHBondContact NZ-OD2 3.42Å; K102-D221 VanDerWaalsContact NZ-OD2 3.08Å; T173-D221 CarbonylContact C-O 3.42Å; T173-D221 VanDerWaalsContact CA-O 3.26Å; T173-D221 WeakPolarHBondContact CA-O 3.41Å; T173-D221 VanDerWaalsContact CG2-O 3.29Å; T173-D221 WeakPolarHBondContact CG2-O 3.45Å; Q174-D221 HydrophobicContact CB-CB 4.4Å; Q174-D221 PolarHBondContact N-O 3.26Å; Q174-D221 PolarHBondContact O-N 2.86Å; K176-D221 HydrophobicContact CD-CB 4.39Å; K176-D221 IonicContact NZ-OD2 2.77Å; K176-D221 PolarHBondContact NZ-OD2 3.28Å; E219-D221 HydrophobicContact CG-CB 4.28Å; D221-I223 PolarHBondContact O-N 2.64Å
222	E	82.6	Confident	85.5	Confident	81 Å²	81	43.5 Å²	43.5	38%	0.379	20%	0.198	S	C	.	.	S	Bend	trans	54.5	43.9	-176.5	-56.3	-172.2	171.6	0	0	114.2	N136 T172 T173 T224	N136-E222 PolarHBondContact O-N 3.3Å; T172-E222 VanDerWaalsContact O-CB 3.23Å; T172-E222 WeakPolarHBondContact O-CB 3.32Å; T173-E222 PolarHBondContact OG1-O 2.82Å; E222-T224 PolarHBondContact O-N 3.49Å
223	I	79.2	Confident	85.5	Confident	24 Å²	24	41.4 Å²	41.4	12%	0.123	19%	0.191	C	C	.	.			trans	-59.2	130.7	179.7	-63.4	173.5	0	0	0	111.4	F121 N136 I138 T173 L220 D221	F121-I223 HydrophobicContact CE2-CD1 4.3Å; F121-I223 HydrophobicContact CE2-CG2 4.45Å; F121-I223 HydrophobicContact CZ-CD1 4.16Å; F121-I223 HydrophobicContact CZ-CG1 4.44Å; F121-I223 HydrophobicContact CZ-CG2 3.7Å; N136-I223 PolarHBondContact O-N 3.37Å; I138-I223 HydrophobicContact CB-CD1 4.04Å; I138-I223 HydrophobicContact CD1-CD1 3.67Å; I138-I223 HydrophobicContact CG1-CD1 3.56Å; T173-I223 HydrophobicContact CG2-CG1 4.15Å; L220-I223 HydrophobicContact CB-CD1 4.08Å; L220-I223 HydrophobicContact CB-CG1 4.23Å; D221-I223 PolarHBondContact O-N 2.64Å
224	T	74.1	Confident	85.5	Confident	34 Å²	34	42.5 Å²	42.5	21%	0.209	19%	0.191	C	C	.	.			trans	-106.4	166.4	-179.3	73.6	0	0	0	0	112.6	T173 E222 E226 Q228	T173-T224 PolarHBondContact OG1-N 2.98Å; E222-T224 PolarHBondContact O-N 3.49Å; T224-E226 PolarHBondContact O-N 3.18Å; T224-E226 PolarHBondContact OG1-N 3.37Å; T224-Q228 PolarHBondContact OG1-NE2 2.86Å
225	K	70.6	Confident	85.5	Confident	190 Å²	190	40.2 Å²	40.2	83%	0.826	18%	0.184	S	C	*	.	S	Bend	trans	-74.5	-4	174.5	-64.2	-172.6	178.8	-174.6	0	114.2
226	E	73.3	Confident	85.4	Confident	95 Å²	95	40.6 Å²	40.6	44%	0.444	19%	0.185	S	C	.	.	S	Bend	trans	-69.8	162.2	177.1	-66.3	-179.3	-162.3	0	0	110.5	T123 P160 T224 Q228	T123-E226 WeakPolarHBondContact CG2-O 3.45Å; T123-E226 PolarHBondContact OG1-O 3.33Å; P160-E226 WeakPolarHBondContact CB-OE2 3Å; P160-E226 HydrophobicContact CG-CB 4.02Å; P160-E226 WeakPolarHBondContact CG-OE2 3.07Å; T224-E226 PolarHBondContact O-N 3.18Å; T224-E226 PolarHBondContact OG1-N 3.37Å; E226-Q228 WeakPolarHBondContact O-CG 3.38Å; E226-Q228 PolarHBondContact O-N 3.39Å; E226-Q228 VanDerWaalsContact O-N 3.14Å
227	K	77.2	Confident	85.2	Confident	160 Å²	160	41.9 Å²	41.9	70%	0.696	19%	0.192	S	C	*	.			trans	-67.9	115.3	176.2	-71	-174.9	-179.5	-178.5	0	109.1
228	Q	83.6	Confident	85	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.023	21%	0.213	C	C	.	.			trans	-124.4	143.7	179.2	-59.3	-179	-25	0	0	108.4	F121 T123 S158 L159 P160 T173 T224 E226	F121-Q228 HydrophobicContact CD1-CB 4.4Å; F121-Q228 HydrophobicContact CE1-CB 3.65Å; F121-Q228 HydrophobicContact CZ-CB 4.44Å; T123-Q228 PolarHBondContact N-O 2.57Å; T123-Q228 WeakPolarHBondContact OG1-CA 3.43Å; T123-Q228 WeakPolarHBondContact OG1-CB 3.38Å; T123-Q228 PolarHBondContact OG1-N 3.11Å; T123-Q228 PolarHBondContact OG1-O 3.13Å; S158-Q228 WeakPolarHBondContact O-CA 3.06Å; L159-Q228 HydrophobicContact CD2-CB 4.09Å; L159-Q228 HydrophobicContact CD2-CG 4.31Å; P160-Q228 VanDerWaalsContact CD-NE2 3.34Å; P160-Q228 HydrophobicContact CG-CG 4.06Å; T173-Q228 PolarHBondContact OG1-NE2 3.35Å; T224-Q228 PolarHBondContact OG1-NE2 2.86Å; E226-Q228 WeakPolarHBondContact O-CG 3.38Å; E226-Q228 PolarHBondContact O-N 3.39Å; E226-Q228 VanDerWaalsContact O-N 3.14Å
229	K	84.9	Confident	84.5	Confident	64 Å²	64	51.9 Å²	51.9	28%	0.278	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122.2	-179.9	-172.1	171.8	-176.6	-162.9	0	110.1	F121 I122 E156 F157 S158 I231	F121-K229 CarbonylContact O-C 3.6Å; F121-K229 VanDerWaalsContact O-CA 3.3Å; F121-K229 WeakPolarHBondContact O-CA 3Å; I122-K229 HydrophobicContact CG1-CG 4.3Å; E156-K229 IonicContact OE1-NZ 3.5Å; E156-K229 PolarHBondContact OE1-NZ 3.08Å; E156-K229 VanDerWaalsContact OE2-CD 3.28Å; E156-K229 WeakPolarHBondContact OE2-CD 3.48Å; E156-K229 WeakPolarHBondContact OE2-CE 3.38Å; E156-K229 IonicContact OE2-NZ 2.86Å; E156-K229 PolarHBondContact OE2-NZ 3.18Å; F157-K229 CarbonylContact C-O 3.59Å; S158-K229 PolarHBondContact N-O 3.39Å; S158-K229 PolarHBondContact O-N 3.47Å; K229-I231 HydrophobicContact CG-CG1 4.32Å
230	V	88.6	Confident	84.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.4	170.5	-179.5	0	0	0	0	107.5	F119 E120 F121 L154 E156 F157 L159 F175 L220	F119-V230 HydrophobicContact CE2-CG1 4.36Å; E120-V230 CarbonylContact C-O 3.55Å; E120-V230 WeakPolarHBondContact CA-O 3.07Å; F121-V230 HydrophobicContact CB-CB 4.33Å; F121-V230 PolarHBondContact N-O 3.3Å; F121-V230 PolarHBondContact O-N 3.33Å; L154-V230 HydrophobicContact CD2-CG1 4.05Å; E156-V230 WeakPolarHBondContact O-CA 3.28Å; F157-V230 HydrophobicContact CD2-CG1 4.23Å; F157-V230 HydrophobicContact CD2-CG2 4.04Å; F157-V230 HydrophobicContact CE2-CG2 4.22Å; L159-V230 HydrophobicContact CD2-CG2 4Å; L159-V230 HydrophobicContact CG-CG2 4.31Å; F175-V230 HydrophobicContact CD2-CG1 4.34Å; F175-V230 HydrophobicContact CE2-CG1 3.87Å; L220-V230 HydrophobicContact CD2-CG2 4.37Å
231	I	87.2	Confident	83.8	Confident	28 Å²	28	57.7 Å²	57.7	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131	174.5	-58.5	-175.1	0	0	0	107.4	F119 E120 L155 E156 K229	F119-I231 WeakPolarHBondContact O-CA 3.49Å; E120-I231 HydrophobicContact CB-CG1 3.96Å; L155-I231 HydrophobicContact CB-CG2 4.4Å; L155-I231 HydrophobicContact CD1-CG2 4.4Å; L155-I231 PolarHBondContact N-O 2.81Å; E156-I231 HydrophobicContact CB-CB 4.16Å; E156-I231 HydrophobicContact CB-CG1 4.4Å; E156-I231 PolarHBondContact N-O 3.08Å; E156-I231 VanDerWaalsContact N-O 3.1Å; E156-I231 PolarHBondContact O-N 2.95Å; K229-I231 HydrophobicContact CG-CG1 4.32Å
232	G	87.1	Confident	84	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.7	175.3	0	0	0	0	0	112.7	S118 F119 R153	S118-G232 CarbonylContact C-O 3.52Å; S118-G232 VanDerWaalsContact CA-O 3.24Å; S118-G232 WeakPolarHBondContact CA-O 3.43Å; S118-G232 WeakPolarHBondContact CB-O 3.34Å; F119-G232 WeakPolarHBondContact CD1-O 3.17Å; F119-G232 VanDerWaalsContact CE1-CA 3.48Å; F119-G232 PolarHBondContact N-O 2.7Å; F119-G232 PolarHBondContact O-N 2.73Å; R153-G232 CarbonylContact O-C 3.36Å; R153-G232 VanDerWaalsContact O-CA 3.23Å; R153-G232 WeakPolarHBondContact O-CA 3.32Å
233	F	87.5	Confident	84.1	Confident	58 Å²	58	61.7 Å²	61.7	25%	0.254	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.2	171.1	175.6	-96.3	0	0	0	108.6	N116 G117 V152 R153 L155 E235	N116-F233 VanDerWaalsContact CA-CZ 3.47Å; N116-F233 HydrophobicContact CB-CE2 3.82Å; N116-F233 HydrophobicContact CB-CZ 3.55Å; G117-F233 CarbonylContact O-C 3.51Å; G117-F233 WeakPolarHBondContact O-CA 3.26Å; G117-F233 WeakPolarHBondContact O-CD2 3.32Å; V152-F233 CarbonylContact C-O 3.57Å; V152-F233 WeakPolarHBondContact CA-O 3.32Å; R153-F233 PolarHBondContact N-O 3.17Å; R153-F233 PolarHBondContact O-N 2.86Å; L155-F233 HydrophobicContact CD1-CB 4.22Å; L155-F233 HydrophobicContact CG-CB 4.42Å; F233-E235 HydrophobicContact CE1-CB 3.94Å; F233-E235 HydrophobicContact CE1-CG 4.08Å; F233-E235 HydrophobicContact CZ-CB 4.34Å
234	Y	87.5	Confident	84.6	Confident	36 Å²	36	62 Å²	62	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.1	174.8	70.6	-90.3	0	0	0	111.4	F109 N116 G117 F119 F142 H151 F236	F109-Y234 HydrophobicContact CB-CE2 4.09Å; F109-Y234 AromaticContact CD1-CE1 3.81Å; F109-Y234 HydrophobicContact CD1-CE1 3.81Å; F109-Y234 HydrophobicContact CD1-CE2 4.44Å; F109-Y234 AromaticContact CD1-CZ 3.57Å; F109-Y234 WeakPolarHBondContact CD1-OH 3.01Å; F109-Y234 AromaticContact CE1-CE1 3.98Å; F109-Y234 HydrophobicContact CE1-CE1 3.98Å; F109-Y234 HydrophobicContact CG-CE1 4.11Å; F109-Y234 HydrophobicContact CG-CE2 4.4Å; F109-Y234 AromaticContact CG-CZ 3.89Å; F109-Y234 HydrophobicContact CZ-CE1 4.41Å; N116-Y234 CarbonylContact C-O 3.49Å; N116-Y234 VanDerWaalsContact CA-O 3.31Å; N116-Y234 WeakPolarHBondContact CA-O 3.22Å; N116-Y234 PolarHBondContact N-O 2.84Å; G117-Y234 VanDerWaalsContact C-CD1 3.49Å; G117-Y234 PolarHBondContact N-O 2.96Å; G117-Y234 WeakPolarHBondContact O-CD1 3.43Å; G117-Y234 PolarHBondContact O-N 2.87Å; F119-Y234 HydrophobicContact CD1-CD1 4.23Å; F142-Y234 HydrophobicContact CD1-CD1 4.29Å; F142-Y234 AromaticContact CD1-CD2 3.89Å; F142-Y234 HydrophobicContact CD1-CD2 3.89Å; F142-Y234 AromaticContact CD1-CG 3.78Å; F142-Y234 HydrophobicContact CD1-CG 3.78Å; F142-Y234 AromaticContact CE1-CD1 3.57Å; F142-Y234 HydrophobicContact CE1-CD1 3.57Å; F142-Y234 HydrophobicContact CE1-CD2 4.01Å; F142-Y234 HydrophobicContact CE1-CE1 4.19Å; F142-Y234 AromaticContact CE1-CG 3.44Å; F142-Y234 HydrophobicContact CE1-CG 3.44Å; F142-Y234 VanDerWaalsContact CE1-CG 3.44Å; H151-Y234 CarbonylContact O-C 3.54Å; H151-Y234 VanDerWaalsContact O-CA 3.22Å; H151-Y234 WeakPolarHBondContact O-CA 3.31Å; Y234-F236 HydrophobicContact CD2-CE2 4.06Å; Y234-F236 HydrophobicContact CD2-CZ 4.29Å; Y234-F236 AromaticContact CE2-CE2 3.88Å; Y234-F236 HydrophobicContact CE2-CE2 3.88Å; Y234-F236 HydrophobicContact CE2-CZ 4.31Å
235	E	90.3	Very high	85.2	Confident	41 Å²	41	62.3 Å²	62.3	19%	0.192	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.7	174.5	63.2	-177.8	-171.2	0	0	110.8	S115 N116 H151 F233 L237	S115-E235 WeakPolarHBondContact OG-CA 3.42Å; S115-E235 VanDerWaalsContact OG-CB 3.28Å; S115-E235 WeakPolarHBondContact OG-CB 2.96Å; N116-E235 VanDerWaalsContact OD1-CB 3.3Å; N116-E235 WeakPolarHBondContact OD1-CB 3.42Å; N116-E235 PolarHBondContact OD1-OE2 2.85Å; H151-E235 HydrophobicContact CB-CG 3.76Å; H151-E235 IonicContact CE1-OE1 3.81Å; H151-E235 PolarHBondContact CE1-OE1 2.87Å; H151-E235 IonicContact CG-OE1 3.33Å; H151-E235 PolarHBondContact N-O 3.47Å; H151-E235 WeakPolarHBondContact ND1-CG 3.38Å; H151-E235 IonicContact ND1-OE1 3.56Å; H151-E235 PolarHBondContact ND1-OE1 2.9Å; H151-E235 PolarHBondContact O-N 2.77Å; F233-E235 HydrophobicContact CE1-CB 3.94Å; F233-E235 HydrophobicContact CE1-CG 4.08Å; F233-E235 HydrophobicContact CZ-CB 4.34Å; E235-L237 HydrophobicContact CG-CD2 4.01Å; E235-L237 HydrophobicContact CG-CG 4.1Å; E235-L237 WeakPolarHBondContact OE1-CD2 3.28Å
236	F	88	Confident	85.9	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.3	174.4	-58.2	-77.2	0	0	0	108.2	L114 S115 F142 V143 G144 E148 I149 V150 Y234	L114-F236 WeakPolarHBondContact O-CD2 3.35Å; S115-F236 PolarHBondContact OG-N 2.91Å; S115-F236 PolarHBondContact OG-O 2.99Å; F142-F236 HydrophobicContact CB-CE1 4.28Å; V143-F236 VanDerWaalsContact C-CE1 3.49Å; G144-F236 VanDerWaalsContact CA-CD1 3.44Å; E148-F236 HydrophobicContact CB-CB 4.42Å; E148-F236 HydrophobicContact CG-CB 4.5Å; E148-F236 WeakPolarHBondContact OE2-CB 3.16Å; I149-F236 CarbonylContact O-C 3.52Å; I149-F236 WeakPolarHBondContact O-CA 3.11Å; V150-F236 HydrophobicContact CG1-CE1 4.38Å; V150-F236 HydrophobicContact CG2-CD1 3.99Å; V150-F236 HydrophobicContact CG2-CE1 3.9Å; Y234-F236 HydrophobicContact CD2-CE2 4.06Å; Y234-F236 HydrophobicContact CD2-CZ 4.29Å; Y234-F236 AromaticContact CE2-CE2 3.88Å; Y234-F236 HydrophobicContact CE2-CE2 3.88Å; Y234-F236 HydrophobicContact CE2-CZ 4.31Å
237	L	90.3	Very high	86.4	Confident	27 Å²	27	49.8 Å²	49.8	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.3	-173.5	-59.9	169.6	0	0	0	110.2	E148 I149 H151 E235 R239 Y242	E148-L237 CarbonylContact C-O 3.56Å; E148-L237 WeakPolarHBondContact CA-O 3.3Å; I149-L237 HydrophobicContact CD1-CB 4.4Å; I149-L237 HydrophobicContact CG1-CB 3.8Å; I149-L237 PolarHBondContact N-O 3.11Å; I149-L237 PolarHBondContact O-N 3.04Å; H151-L237 HydrophobicContact CB-CD1 3.55Å; H151-L237 HydrophobicContact CB-CG 4.21Å; E235-L237 HydrophobicContact CG-CD2 4.01Å; E235-L237 HydrophobicContact CG-CG 4.1Å; E235-L237 WeakPolarHBondContact OE1-CD2 3.28Å; L237-R239 PolarHBondContact O-N 2.9Å; L237-Y242 HydrophobicContact CB-CE2 4Å; L237-Y242 HydrophobicContact CD1-CE2 4.21Å
238	D	87.8	Confident	86.8	Confident	82 Å²	82	45.5 Å²	45.5	44%	0.439	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.5	171.8	-173	-5.5	0	0	0	110.4	D240 A241 Y242	D238-D240 VanDerWaalsContact C-N 3.3Å; D238-D240 PolarHBondContact O-N 2.74Å; D238-D240 WeakPolarHBondContact OD1-CB 3.34Å; D238-D240 PolarHBondContact OD1-N 2.81Å; D238-A241 HydrophobicContact CB-CB 4.27Å; D238-A241 VanDerWaalsContact O-CB 3.32Å; D238-A241 WeakPolarHBondContact O-CB 2.98Å; D238-A241 PolarHBondContact O-N 2.86Å; D238-Y242 WeakPolarHBondContact O-CD2 3.39Å; D238-Y242 WeakPolarHBondContact O-CE2 3.43Å
239	R	85.5	Confident	86.8	Confident	128 Å²	128	45.5 Å²	45.5	48%	0.483	23%	0.228	S	C	.	.	S	Bend	trans	-65	-35.1	176.7	-174.3	-178.8	177.5	177.7	2.1	111.6	K147 I149 L237 A241 Y242	K147-R239 WeakPolarHBondContact O-CB 3.48Å; K147-R239 PolarHBondContact O-N 3.28Å; I149-R239 HydrophobicContact CG2-CB 4.07Å; I149-R239 HydrophobicContact CG2-CG 4.09Å; L237-R239 PolarHBondContact O-N 2.9Å; R239-A241 PolarHBondContact O-N 2.81Å; R239-Y242 PolarHBondContact O-N 3.4Å; R239-Y242 VanDerWaalsContact O-N 3.15Å
240	D	83.2	Confident	86.4	Confident	71 Å²	71	50.6 Å²	50.6	38%	0.38	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-65.9	-24.8	-178.9	-66.9	-16.3	0	0	0	110.4	K147 D238 Y242 Q243	K147-D240 WeakPolarHBondContact CE-OD2 2.77Å; K147-D240 IonicContact NZ-OD2 3.62Å; K147-D240 PolarHBondContact NZ-OD2 3.39Å; D238-D240 VanDerWaalsContact C-N 3.3Å; D238-D240 PolarHBondContact O-N 2.74Å; D238-D240 WeakPolarHBondContact OD1-CB 3.34Å; D238-D240 PolarHBondContact OD1-N 2.81Å; D240-Y242 PolarHBondContact O-N 2.88Å; D240-Q243 PolarHBondContact O-N 2.8Å
241	A	85.6	Confident	85.8	Confident	50 Å²	50	53.3 Å²	53.3	41%	0.413	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.7	-19.3	175.9	0	0	0	0	0	114.1	D238 R239 F300	D238-A241 HydrophobicContact CB-CB 4.27Å; D238-A241 VanDerWaalsContact O-CB 3.32Å; D238-A241 WeakPolarHBondContact O-CB 2.98Å; D238-A241 PolarHBondContact O-N 2.86Å; R239-A241 PolarHBondContact O-N 2.81Å; A241-F300 WeakPolarHBondContact O-CZ 3.11Å
242	Y	88.9	Confident	85.7	Confident	63 Å²	63	53.7 Å²	53.7	25%	0.247	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.4	17.1	179.6	-54.6	-78.3	0	0	0	112.9	I149 L237 D238 R239 D240 F300 Y304 P305	I149-Y242 HydrophobicContact CD1-CD2 3.91Å; I149-Y242 HydrophobicContact CD1-CE2 4.01Å; L237-Y242 HydrophobicContact CB-CE2 4Å; L237-Y242 HydrophobicContact CD1-CE2 4.21Å; D238-Y242 WeakPolarHBondContact O-CD2 3.39Å; D238-Y242 WeakPolarHBondContact O-CE2 3.43Å; R239-Y242 PolarHBondContact O-N 3.4Å; R239-Y242 VanDerWaalsContact O-N 3.15Å; D240-Y242 PolarHBondContact O-N 2.88Å; Y242-F300 VanDerWaalsContact C-CE2 3.47Å; Y242-F300 HydrophobicContact CD1-CE1 4.17Å; Y242-F300 HydrophobicContact CD1-CZ 4.43Å; Y242-F300 WeakPolarHBondContact O-CD2 3.44Å; Y242-Y304 AromaticContact CD1-CD1 3.82Å; Y242-Y304 HydrophobicContact CD1-CD1 3.82Å; Y242-Y304 AromaticContact CD1-CE1 3.83Å; Y242-Y304 HydrophobicContact CD1-CE1 3.83Å; Y242-Y304 HydrophobicContact CE1-CD1 4.43Å; Y242-Y304 HydrophobicContact CE1-CE1 4.01Å; Y242-P305 HydrophobicContact CD1-CG 4.3Å; Y242-P305 HydrophobicContact CE1-CB 4.49Å; Y242-P305 HydrophobicContact CE1-CG 4.25Å; Y242-P305 HydrophobicContact CG-CG 4.49Å
243	Q	85.6	Confident	85.5	Confident	126 Å²	126	63 Å²	63	59%	0.589	32%	0.317	S	S	*	.			trans	-80.9	133.5	175.5	-171.1	172.1	-3.1	0	0	111.1	D240 F300	D240-Q243 PolarHBondContact O-N 2.8Å; Q243-F300 WeakPolarHBondContact O-CE2 3.47Å
244	T	90.3	Very high	85.6	Confident	32 Å²	32	61 Å²	61	20%	0.196	31%	0.31	C	S	.	.			trans	-78.2	129	171.4	-67.6	0	0	0	0	110.2	G246 Q256 F258 F299 F300	T244-G246 PolarHBondContact O-N 2.89Å; T244-Q256 HydrophobicContact CG2-CG 4.11Å; T244-F258 HydrophobicContact CG2-CE1 4.05Å; T244-F258 HydrophobicContact CG2-CZ 3.68Å; T244-F299 HydrophobicContact CG2-CB 3.67Å; T244-F300 PolarHBondContact OG1-N 3.05Å
245	D	87.1	Confident	85.9	Confident	39 Å²	39	59.9 Å²	59.9	21%	0.209	31%	0.307	C	S	.	.			trans	-71.7	-12.3	179.6	-75.7	-35.1	0	0	0	114.1	K294 G297 K298 Y425	D245-K294 HydrophobicContact CB-CD 4.3Å; D245-K294 IonicContact OD1-NZ 3.79Å; D245-K294 PolarHBondContact OD1-NZ 2.67Å; D245-K294 IonicContact OD2-NZ 3.67Å; D245-K294 PolarHBondContact OD2-NZ 2.75Å; D245-G297 WeakPolarHBondContact OD2-CA 3.18Å; D245-K298 WeakPolarHBondContact CB-O 3.46Å; D245-K298 PolarHBondContact N-O 2.88Å; D245-K298 PolarHBondContact OD2-N 2.82Å; D245-Y425 HydrophobicContact CB-CE1 4.35Å
246	G	84.9	Confident	86	Confident	7 Å²	7	59.4 Å²	59.4	7%	0.072	30%	0.304	C	S	.	.	S	Bend	trans	-69.4	157.2	-177.5	0	0	0	0	0	113.3	T244 P248 Q256	T244-G246 PolarHBondContact O-N 2.89Å; G246-P248 WeakPolarHBondContact O-CD 3.22Å; G246-Q256 VanDerWaalsContact C-OE1 3.25Å; G246-Q256 PolarHBondContact O-OE1 2.95Å
247	L	84	Confident	86	Confident	15 Å²	15	59 Å²	59	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.7	173.4	-177	71.8	0	0	0	109.9	Q256 L257 F259 L370 I374	L247-Q256 VanDerWaalsContact C-OE1 3.25Å; L247-Q256 PolarHBondContact O-OE1 2.93Å; L247-L257 HydrophobicContact CB-CB 4.43Å; L247-L257 PolarHBondContact N-O 3.2Å; L247-L257 PolarHBondContact O-N 2.77Å; L247-F259 HydrophobicContact CD2-CE2 4.15Å; L247-L370 HydrophobicContact CD2-CD1 4.37Å; L247-L370 HydrophobicContact CD2-CD2 3.75Å; L247-L370 HydrophobicContact CD2-CG 4.08Å; L247-I374 HydrophobicContact CD1-CD1 4.21Å; L247-I374 HydrophobicContact CD2-CD1 3.68Å; L247-I374 HydrophobicContact CD2-CG1 3.67Å; L247-I374 HydrophobicContact CG-CD1 4.2Å; L247-I374 HydrophobicContact CG-CG1 4.21Å
248	P	84.4	Confident	86	Confident	71 Å²	71	57.8 Å²	57.8	46%	0.461	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.7	179.9	26.4	-34	0	0	0	111.8	G246 K250 I374	G246-P248 WeakPolarHBondContact O-CD 3.22Å; P248-K250 PolarHBondContact O-N 3.38Å; P248-I374 WeakPolarHBondContact O-CG2 3.36Å
249	I	84.1	Confident	85.7	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.277	C	S	.	.			trans	-84.9	107.2	173	-55.8	177.9	0	0	0	108.8	A251 T252 D255 Y317 K376 F378	I249-A251 HydrophobicContact CG2-CB 4.33Å; I249-A251 PolarHBondContact O-N 2.73Å; I249-A251 VanDerWaalsContact O-N 3.07Å; I249-T252 HydrophobicContact CB-CG2 4.14Å; I249-T252 HydrophobicContact CG2-CG2 3.84Å; I249-T252 PolarHBondContact O-N 2.91Å; I249-T252 PolarHBondContact O-OG1 2.93Å; I249-D255 HydrophobicContact CB-CB 4.36Å; I249-D255 HydrophobicContact CD1-CB 3.99Å; I249-D255 HydrophobicContact CG1-CB 4.39Å; I249-D255 PolarHBondContact N-O 2.85Å; I249-Y317 HydrophobicContact CD1-CD2 4.12Å; I249-Y317 HydrophobicContact CD1-CE2 4.02Å; I249-K376 WeakPolarHBondContact CG2-O 3.31Å; I249-F378 HydrophobicContact CD1-CB 4.11Å
250	K	76.2	Confident	85.3	Confident	172 Å²	172	48.3 Å²	48.3	75%	0.748	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.5	-175.5	-71.3	-178.3	-179.6	-173	0	114.5	P248 T252 I374	P248-K250 PolarHBondContact O-N 3.38Å; K250-T252 PolarHBondContact O-N 2.99Å; K250-I374 HydrophobicContact CB-CG2 4.1Å; K250-I374 HydrophobicContact CD-CG2 4.01Å; K250-I374 HydrophobicContact CG-CG2 3.67Å; K250-I374 PolarHBondContact N-O 3.39Å
251	A	76.9	Confident	84.4	Confident	56 Å²	56	47.1 Å²	47.1	46%	0.463	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.9	176.5	0	0	0	0	0	113.9	I249	I249-A251 HydrophobicContact CG2-CB 4.33Å; I249-A251 PolarHBondContact O-N 2.73Å; I249-A251 VanDerWaalsContact O-N 3.07Å
252	T	84.6	Confident	82.8	Confident	36 Å²	36	46.4 Å²	46.4	22%	0.221	24%	0.244	C	C	.	.	S	Bend	trans	-124.8	161.8	-172.1	74.3	0	0	0	0	110.2	I249 K250 D255	I249-T252 HydrophobicContact CB-CG2 4.14Å; I249-T252 HydrophobicContact CG2-CG2 3.84Å; I249-T252 PolarHBondContact O-N 2.91Å; I249-T252 PolarHBondContact O-OG1 2.93Å; K250-T252 PolarHBondContact O-N 2.99Å; T252-D255 HydrophobicContact CG2-CB 4.03Å; T252-D255 WeakPolarHBondContact CG2-OD2 3.28Å; T252-D255 WeakPolarHBondContact OG1-CB 3.46Å; T252-D255 PolarHBondContact OG1-N 3.05Å
253	K	81.8	Confident	80.9	Confident	196 Å²	196	45.6 Å²	45.6	85%	0.852	24%	0.242	S	C	*	.	S	Bend	trans	-75.6	-29.9	-179.2	-67.8	-176.2	179.2	178.6	0	113.1
254	C	91.5	Very high	78.8	Confident	15 Å²	15	42.6 Å²	42.6	10%	0.101	23%	0.229	C	C	.	.	S	Bend	trans	-157.8	4.7	-167.9	49	0	0	0	0	114.2	P302 M312 C314	C254-P302 HydrophobicContact CB-CG 4.07Å; C254-M312 HydrophobicContact CB-CE 4.14Å; C254-C314 HydrophobicContact CB-CB 3.86Å; C254-C314 WeakPolarHBondContact CB-SG 3.45Å; C254-C314 WeakPolarHBondContact SG-CA 3.29Å; C254-C314 WeakPolarHBondContact SG-CB 3.48Å; C254-C314 CovalentContact SG-SG 2.02Å; C254-C314 PolarHBondContact SG-SG 2.88Å
255	D	93.3	Very high	76.1	Confident	14 Å²	14	46.7 Å²	46.7	8%	0.075	25%	0.254	C	S	.	.			trans	-72.7	140.2	-176.8	-61	-8.7	0	0	0	110.4	I249 T252 C314 K315 Y317	I249-D255 HydrophobicContact CB-CB 4.36Å; I249-D255 HydrophobicContact CD1-CB 3.99Å; I249-D255 HydrophobicContact CG1-CB 4.39Å; I249-D255 PolarHBondContact N-O 2.85Å; T252-D255 HydrophobicContact CG2-CB 4.03Å; T252-D255 WeakPolarHBondContact CG2-OD2 3.28Å; T252-D255 WeakPolarHBondContact OG1-CB 3.46Å; T252-D255 PolarHBondContact OG1-N 3.05Å; D255-C314 WeakPolarHBondContact OD1-CA 3.43Å; D255-K315 CarbonylContact C-O 3.5Å; D255-K315 WeakPolarHBondContact CA-O 3.4Å; D255-K315 HydrophobicContact CB-CB 4.44Å; D255-K315 WeakPolarHBondContact CB-O 3.09Å; D255-K315 PolarHBondContact OD1-N 2.83Å; D255-Y317 HydrophobicContact CB-CE2 4.25Å
256	Q	92	Very high	73.5	Confident	31 Å²	31	51.5 Å²	51.5	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.5	-173.4	-63.4	-65	-26.7	0	0	110.3	T244 G246 L247 F258 K315 Y316 Y317	T244-Q256 HydrophobicContact CG2-CG 4.11Å; G246-Q256 VanDerWaalsContact C-OE1 3.25Å; G246-Q256 PolarHBondContact O-OE1 2.95Å; L247-Q256 VanDerWaalsContact C-OE1 3.25Å; L247-Q256 PolarHBondContact O-OE1 2.93Å; Q256-F258 HydrophobicContact CB-CE2 3.57Å; Q256-F258 HydrophobicContact CB-CZ 3.91Å; Q256-K315 PolarHBondContact N-O 2.95Å; Q256-Y316 HydrophobicContact CB-CD1 3.88Å; Q256-Y316 HydrophobicContact CB-CE1 4.33Å; Q256-Y316 HydrophobicContact CG-CD1 4.13Å; Q256-Y316 HydrophobicContact CG-CE1 4.06Å; Q256-Y316 WeakPolarHBondContact O-CA 3.19Å; Q256-Y317 PolarHBondContact O-N 2.84Å
257	L	88.1	Confident	70.7	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.8	-177.5	-168.1	61.5	0	0	0	110.1	L247 F259 Y317 L319 I373 F378	L247-L257 HydrophobicContact CB-CB 4.43Å; L247-L257 PolarHBondContact N-O 3.2Å; L247-L257 PolarHBondContact O-N 2.77Å; L257-F259 HydrophobicContact CB-CE2 4.24Å; L257-F259 HydrophobicContact CD1-CE1 4.5Å; L257-F259 HydrophobicContact CD1-CZ 4.28Å; L257-F259 HydrophobicContact CD2-CE1 3.95Å; L257-F259 HydrophobicContact CD2-CE2 3.52Å; L257-F259 HydrophobicContact CD2-CZ 3.09Å; L257-F259 HydrophobicContact CG-CD2 4.27Å; L257-F259 HydrophobicContact CG-CE1 4.02Å; L257-F259 HydrophobicContact CG-CE2 3.49Å; L257-F259 VanDerWaalsContact CG-CE2 3.49Å; L257-F259 HydrophobicContact CG-CZ 3.38Å; L257-Y317 HydrophobicContact CD1-CD2 4.43Å; L257-Y317 HydrophobicContact CD1-CG 4.2Å; L257-L319 HydrophobicContact CD1-CD1 3.54Å; L257-L319 HydrophobicContact CD1-CG 4.09Å; L257-L319 HydrophobicContact CG-CD1 4.32Å; L257-I373 HydrophobicContact CD2-CG2 3.96Å; L257-F378 HydrophobicContact CD1-CD2 4.36Å; L257-F378 HydrophobicContact CD1-CE2 4.15Å
258	F	90	Very high	67.9	Low	2 Å²	2	61.2 Å²	61.2	1%	0.009	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	-177.3	-56.4	-94.6	0	0	0	109.2	T244 Q256 F299 Y316 Y317 F318 L319 Y425 F427	T244-F258 HydrophobicContact CG2-CE1 4.05Å; T244-F258 HydrophobicContact CG2-CZ 3.68Å; Q256-F258 HydrophobicContact CB-CE2 3.57Å; Q256-F258 HydrophobicContact CB-CZ 3.91Å; F258-F299 HydrophobicContact CE1-CB 3.83Å; F258-F299 HydrophobicContact CE2-CB 4.49Å; F258-F299 HydrophobicContact CZ-CB 3.48Å; F258-F299 VanDerWaalsContact CZ-CB 3.48Å; F258-F299 HydrophobicContact CZ-CG 4.1Å; F258-Y316 AromaticContact CE2-CD1 3.89Å; F258-Y316 HydrophobicContact CE2-CD1 3.89Å; F258-Y316 HydrophobicContact CE2-CG 4.48Å; F258-Y316 HydrophobicContact CZ-CD1 4.18Å; F258-Y317 PolarHBondContact N-O 3.14Å; F258-F318 HydrophobicContact CB-CD1 3.81Å; F258-F318 HydrophobicContact CB-CE1 4.16Å; F258-F318 HydrophobicContact CD1-CE1 4.29Å; F258-F318 AromaticContact CD2-CD1 3.93Å; F258-F318 HydrophobicContact CD2-CD1 3.93Å; F258-F318 AromaticContact CD2-CE1 3.62Å; F258-F318 HydrophobicContact CD2-CE1 3.62Å; F258-F318 AromaticContact CD2-CZ 3.98Å; F258-F318 HydrophobicContact CD2-CZ 3.98Å; F258-F318 HydrophobicContact CE2-CE1 4.06Å; F258-F318 HydrophobicContact CE2-CZ 4.06Å; F258-F318 AromaticContact CG-CD1 3.93Å; F258-F318 HydrophobicContact CG-CD1 3.93Å; F258-F318 AromaticContact CG-CE1 3.76Å; F258-F318 HydrophobicContact CG-CE1 3.76Å; F258-L319 PolarHBondContact O-N 3.22Å; F258-Y425 HydrophobicContact CB-CE2 4.38Å; F258-Y425 AromaticContact CD1-CD1 3.88Å; F258-Y425 HydrophobicContact CD1-CD1 3.88Å; F258-Y425 AromaticContact CD1-CE1 3.25Å; F258-Y425 HydrophobicContact CD1-CE1 3.25Å; F258-Y425 HydrophobicContact CD1-CE2 4.27Å; F258-Y425 AromaticContact CD1-CZ 3.49Å; F258-Y425 VanDerWaalsContact CD1-CZ 3.49Å; F258-Y425 HydrophobicContact CE1-CD1 4.09Å; F258-Y425 AromaticContact CE1-CE1 3.54Å; F258-Y425 HydrophobicContact CE1-CE1 3.54Å; F258-Y425 HydrophobicContact CG-CE1 4.22Å; F258-F427 HydrophobicContact CB-CE2 4.49Å; F258-F427 HydrophobicContact CB-CZ 4.17Å
259	F	81.6	Confident	65.3	Low	11 Å²	11	64.3 Å²	64.3	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.7	-177.8	-55.9	-88.8	0	0	0	110.9	L247 L257 T293 L319 F360 L370	L247-F259 HydrophobicContact CD2-CE2 4.15Å; L257-F259 HydrophobicContact CB-CE2 4.24Å; L257-F259 HydrophobicContact CD1-CE1 4.5Å; L257-F259 HydrophobicContact CD1-CZ 4.28Å; L257-F259 HydrophobicContact CD2-CE1 3.95Å; L257-F259 HydrophobicContact CD2-CE2 3.52Å; L257-F259 HydrophobicContact CD2-CZ 3.09Å; L257-F259 HydrophobicContact CG-CD2 4.27Å; L257-F259 HydrophobicContact CG-CE1 4.02Å; L257-F259 HydrophobicContact CG-CE2 3.49Å; L257-F259 VanDerWaalsContact CG-CE2 3.49Å; L257-F259 HydrophobicContact CG-CZ 3.38Å; F259-T293 HydrophobicContact CB-CG2 4.18Å; F259-L319 HydrophobicContact CD1-CB 4.1Å; F259-L319 HydrophobicContact CD1-CD1 3.73Å; F259-L319 HydrophobicContact CD1-CG 4.47Å; F259-L319 HydrophobicContact CE1-CD1 3.45Å; F259-L319 VanDerWaalsContact CE1-CD1 3.45Å; F259-L319 HydrophobicContact CZ-CD1 4.36Å; F259-F360 HydrophobicContact CD1-CZ 4.45Å; F259-F360 HydrophobicContact CE1-CZ 4.07Å; F259-L370 HydrophobicContact CE1-CD1 4.43Å; F259-L370 HydrophobicContact CE2-CD1 3.8Å; F259-L370 HydrophobicContact CZ-CD1 3.52Å
260	S	77	Confident	62.8	Low	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.382	C	S	.	.			trans	-67.2	147.6	168.1	-174.5	0	0	0	0	112.4	S262 F263 L319 E324	S260-S262 PolarHBondContact O-N 3.29Å; S260-S262 PolarHBondContact OG-OG 2.74Å; S260-F263 PolarHBondContact O-N 2.84Å; S260-L319 PolarHBondContact N-O 2.56Å; S260-E324 WeakPolarHBondContact CB-OE2 3.18Å; S260-E324 PolarHBondContact OG-OE1 2.98Å; S260-E324 PolarHBondContact OG-OE2 3.31Å
261	S	63.8	Low	60.4	Low	47 Å²	47	69.2 Å²	69.2	33%	0.329	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-63	-24.9	175.7	57.1	0	0	0	0	114.1	F263 I264 T295	S261-F263 PolarHBondContact O-N 3.02Å; S261-I264 PolarHBondContact O-N 2.81Å; S261-I264 VanDerWaalsContact O-N 3.11Å; S261-T295 WeakPolarHBondContact OG-CG2 3.17Å
262	S	52.2	Low	58.3	Low	34 Å²	34	72.8 Å²	72.8	24%	0.238	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-70.6	-5.7	179	50.8	0	0	0	0	114.4	S260 I264 H321 E324	S260-S262 PolarHBondContact O-N 3.29Å; S260-S262 PolarHBondContact OG-OG 2.74Å; S262-I264 PolarHBondContact O-N 3.32Å; S262-H321 WeakPolarHBondContact OG-CB 3.47Å; S262-E324 VanDerWaalsContact OG-CD 3.31Å; S262-E324 PolarHBondContact OG-OE1 2.01Å; S262-E324 PolarHBondContact OG-OE2 3.23Å
263	F	49.6	Very low	55.8	Low	47 Å²	47	80 Å²	80	21%	0.206	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-69.6	-15.9	166.8	-82	-79.9	0	0	0	113.3	S260 S261 T265 L319 F360	S260-F263 PolarHBondContact O-N 2.84Å; S261-F263 PolarHBondContact O-N 3.02Å; F263-T265 PolarHBondContact O-N 2.88Å; F263-L319 WeakPolarHBondContact CE2-O 3.12Å; F263-F360 HydrophobicContact CD1-CD1 4.36Å; F263-F360 AromaticContact CD1-CE1 3.96Å; F263-F360 HydrophobicContact CD1-CE1 3.96Å; F263-F360 AromaticContact CE1-CD1 3.49Å; F263-F360 HydrophobicContact CE1-CD1 3.49Å; F263-F360 VanDerWaalsContact CE1-CD1 3.49Å; F263-F360 AromaticContact CE1-CE1 3.37Å; F263-F360 HydrophobicContact CE1-CE1 3.37Å; F263-F360 HydrophobicContact CZ-CD1 4Å; F263-F360 AromaticContact CZ-CE1 3.8Å; F263-F360 HydrophobicContact CZ-CE1 3.8Å
264	I	42.3	Very low	53.4	Low	63 Å²	63	75.7 Å²	75.7	32%	0.323	40%	0.395	S	S	.	.			trans	-95.1	54.7	176.7	-48	175.2	0	0	0	110	S261 S262 I266 F289 T293	S261-I264 PolarHBondContact O-N 2.81Å; S261-I264 VanDerWaalsContact O-N 3.11Å; S262-I264 PolarHBondContact O-N 3.32Å; I264-I266 VanDerWaalsContact C-N 3.32Å; I264-I266 HydrophobicContact CG2-CD1 4.13Å; I264-I266 HydrophobicContact CG2-CG1 3.77Å; I264-I266 PolarHBondContact O-N 2.71Å; I264-F289 HydrophobicContact CD1-CB 4.16Å; I264-F289 HydrophobicContact CD1-CD1 4.29Å; I264-F289 HydrophobicContact CG1-CD1 4.31Å; I264-T293 HydrophobicContact CD1-CG2 4.05Å; I264-T293 VanDerWaalsContact CD1-OG1 3.31Å; I264-T293 WeakPolarHBondContact CD1-OG1 3.25Å; I264-T293 HydrophobicContact CG1-CG2 4.49Å
265	T	33.2	Very low	50.5	Low	118 Å²	118	84.3 Å²	84.3	72%	0.724	43%	0.426	S	S	*	.			trans	-80.1	90.7	155.7	50.3	0	0	0	0	107.6	F263 Q267	F263-T265 PolarHBondContact O-N 2.88Å; T265-Q267 PolarHBondContact O-N 2.8Å
266	I	31.7	Very low	47.3	Very low	139 Å²	139	95.1 Å²	95.1	71%	0.713	47%	0.466	S	S	*	.			trans	-62.9	105.4	165.9	-54.6	176	0	0	0	105.7	I264 G268	I264-I266 VanDerWaalsContact C-N 3.32Å; I264-I266 HydrophobicContact CG2-CD1 4.13Å; I264-I266 HydrophobicContact CG2-CG1 3.77Å; I264-I266 PolarHBondContact O-N 2.71Å; I266-G268 PolarHBondContact O-N 3.38Å
267	Q	25.6	Very low	44.5	Very low	192 Å²	192	104.1 Å²	104.1	90%	0.897	50%	0.498	S	S	*	.			trans	-63.5	76.4	155.8	-96	-175.5	-26.4	0	0	107.2	T265	T265-Q267 PolarHBondContact O-N 2.8Å
268	G	26	Very low	41.6	Very low	35 Å²	35	110.9 Å²	110.9	36%	0.361	53%	0.534	S	S	.	.			trans	-120.9	17.7	-174.6	0	0	0	0	0	111.8	I266	I266-G268 PolarHBondContact O-N 3.38Å
269	D	29.9	Very low	38.6	Very low	135 Å²	135	118.5 Å²	118.5	72%	0.722	58%	0.575	S	S	*	*	S	Bend	trans	-115.5	75.1	168.2	-119.9	-0.9	0	0	0	108.6
270	H	30.9	Very low	36.4	Very low	179 Å²	179	121.8 Å²	121.8	83%	0.829	61%	0.612	S	S	*	*	S	Bend	trans	-173.1	-4.2	143	-95.3	-32.4	0	0	0	115.1
271	N	26.9	Very low	34.4	Very low	101 Å²	101	128.8 Å²	128.8	54%	0.54	65%	0.649	S	S	.	*			trans	-131	51.6	179.9	-77.9	-36.7	0	0	0	113.6	Q273 I274	N271-Q273 PolarHBondContact O-N 3.26Å; N271-Q273 VanDerWaalsContact O-N 3.14Å; N271-I274 HydrophobicContact CB-CD1 4.47Å; N271-I274 PolarHBondContact O-N 3.39Å
272	Q	31.7	Very low	32.7	Very low	130 Å²	130	132.3 Å²	132.3	61%	0.607	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-10.3	165.9	-74.3	-170.4	5.9	0	0	113.2
273	Q	32.1	Very low	31.8	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-11.7	177.5	-75.8	-174.1	-12.1	0	0	115.4	N271	N271-Q273 PolarHBondContact O-N 3.26Å; N271-Q273 VanDerWaalsContact O-N 3.14Å
274	I	31.7	Very low	30.9	Very low	106 Å²	106	146.8 Å²	146.8	54%	0.544	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-17.2	-178.6	-57.3	177.6	0	0	0	112.5	N271 R276 R277	N271-I274 HydrophobicContact CB-CD1 4.47Å; N271-I274 PolarHBondContact O-N 3.39Å; I274-R276 PolarHBondContact O-N 3.13Å; I274-R276 VanDerWaalsContact O-N 3.15Å; I274-R277 PolarHBondContact O-N 3.14Å
275	W	30.2	Very low	30.5	Very low	196 Å²	196	148.6 Å²	148.6	74%	0.742	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-7	-179.2	-74.8	104.5	0	0	0	115.7
276	R	27.3	Very low	30.5	Very low	242 Å²	242	144.8 Å²	144.8	91%	0.913	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-0.3	175.1	-72.8	-161.7	179.8	-164.6	1.8	115.2	I274	I274-R276 PolarHBondContact O-N 3.13Å; I274-R276 VanDerWaalsContact O-N 3.15Å
277	R	31.7	Very low	30.7	Very low	220 Å²	220	145 Å²	145	83%	0.83	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-9.2	-177.1	-87.1	-170.9	-178.7	173.3	2.4	117.5	I274	I274-R277 PolarHBondContact O-N 3.14Å
278	N	29	Very low	31.3	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	69%	0.685	S	S	*	*	S	Bend	trans	-110.7	103.1	177.7	-78	-9.8	0	0	0	112.4
279	N	26.4	Very low	31.9	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	68%	0.675	S	S	*	*			trans	-43.5	128.4	174.3	-71.5	-31.5	0	0	0	114.2	L281	N279-L281 PolarHBondContact O-N 3.01Å; N279-L281 VanDerWaalsContact O-N 3.14Å
280	G	35.6	Very low	32.7	Very low	80 Å²	80	137 Å²	137	83%	0.825	67%	0.668	S	S	*	*	S	Bend		83.2	-17.5	127.2	0	0	0	0	0	121.8
281	L	35.1	Very low	33.4	Very low	147 Å²	147	131.6 Å²	131.6	77%	0.77	65%	0.65	S	S	*	*	S	Bend	trans	-128.9	-4.2	-171.4	-79.5	165	0	0	0	118.1	N279	N279-L281 PolarHBondContact O-N 3.01Å; N279-L281 VanDerWaalsContact O-N 3.14Å
282	N	28.2	Very low	34.5	Very low	121 Å²	121	130.1 Å²	130.1	65%	0.647	64%	0.64	S	S	*	*	S	Bend	trans	-103.6	-2.1	-176.9	-74.7	-15.5	0	0	0	116
283	Q	32.9	Very low	35.6	Very low	171 Å²	171	124.8 Å²	124.8	80%	0.799	62%	0.616	S	S	*	*	H	α-helix	trans	-75.5	-31	178.6	-73.7	177.4	-14.3	0	0	113.3	H285	Q283-H285 VanDerWaalsContact C-N 3.28Å; Q283-H285 PolarHBondContact O-N 3.21Å
284	R	30.1	Very low	37.3	Very low	215 Å²	215	119.7 Å²	119.7	81%	0.811	59%	0.591	S	S	*	*	H	α-helix	trans	-70.2	-14.8	-174.9	-72.1	-172.2	177.7	-170.1	-0.5	115.4
285	H	33.4	Very low	39.3	Very low	100 Å²	100	117.6 Å²	117.6	46%	0.463	58%	0.584	S	S	.	*	H	α-helix	trans	-93.1	-25.6	-178.8	-75.1	-51.2	0	0	0	114	Q283 F367	Q283-H285 VanDerWaalsContact C-N 3.28Å; Q283-H285 PolarHBondContact O-N 3.21Å; H285-F367 HydrophobicContact CB-CE1 4.05Å
286	G	34.4	Very low	41.7	Very low	38 Å²	38	112 Å²	112	39%	0.392	57%	0.568	S	S	.	*	H	α-helix	trans	-72.9	-40.7	176.4	0	0	0	0	0	112.8	L288 F289 S290	G286-L288 PolarHBondContact O-N 2.71Å; G286-F289 WeakPolarHBondContact O-CB 3.29Å; G286-F289 PolarHBondContact O-N 3.07Å; G286-S290 PolarHBondContact O-N 3.43Å
287	E	34.8	Very low	44.5	Very low	143 Å²	143	100.8 Å²	100.8	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-66.5	-34.4	179.3	-69.3	176.8	164.2	0	0	113.1	F289 S290	E287-F289 VanDerWaalsContact C-N 3.25Å; E287-F289 PolarHBondContact O-N 3.49Å; E287-S290 PolarHBondContact O-OG 3.26Å; E287-S290 VanDerWaalsContact O-OG 3.13Å
288	L	38.1	Very low	47.3	Very low	80 Å²	80	93.8 Å²	93.8	42%	0.419	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-24.4	175.3	-167.2	71.8	0	0	0	112.5	G286 S291 H292	G286-L288 PolarHBondContact O-N 2.71Å; L288-S291 PolarHBondContact O-OG 2.73Å; L288-H292 PolarHBondContact O-CD2 3.34Å
289	F	39	Very low	50.4	Low	33 Å²	33	86.9 Å²	86.9	15%	0.145	47%	0.467	C	S	.	.	H	α-helix	trans	-82.1	-40.4	-179.5	-111.9	-85.4	0	0	0	112.5	I264 G286 E287 S291 T293 F368 L370	I264-F289 HydrophobicContact CD1-CB 4.16Å; I264-F289 HydrophobicContact CD1-CD1 4.29Å; I264-F289 HydrophobicContact CG1-CD1 4.31Å; G286-F289 WeakPolarHBondContact O-CB 3.29Å; G286-F289 PolarHBondContact O-N 3.07Å; E287-F289 VanDerWaalsContact C-N 3.25Å; E287-F289 PolarHBondContact O-N 3.49Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.42Å; F289-T293 HydrophobicContact CD1-CG2 4.24Å; F289-T293 WeakPolarHBondContact O-CG2 3.36Å; F289-T293 PolarHBondContact O-N 2.71Å; F289-T293 PolarHBondContact O-OG1 2.88Å; F289-F368 HydrophobicContact CE2-CB 4.37Å; F289-F368 HydrophobicContact CZ-CB 3.92Å; F289-L370 HydrophobicContact CD2-CD2 4.11Å; F289-L370 HydrophobicContact CE1-CD1 4.34Å; F289-L370 HydrophobicContact CE2-CB 3.59Å; F289-L370 HydrophobicContact CE2-CD1 4.18Å; F289-L370 HydrophobicContact CE2-CD2 3.77Å; F289-L370 HydrophobicContact CE2-CG 4.06Å; F289-L370 HydrophobicContact CZ-CB 3.94Å; F289-L370 HydrophobicContact CZ-CD1 3.71Å; F289-L370 HydrophobicContact CZ-CD2 4.03Å; F289-L370 HydrophobicContact CZ-CG 4.11Å
290	S	46.5	Very low	53.7	Low	81 Å²	81	79.4 Å²	79.4	57%	0.566	43%	0.427	S	S	*	.	H	α-helix	trans	-68.8	-24.1	-179.7	47	0	0	0	0	113.6	G286 E287	G286-S290 PolarHBondContact O-N 3.43Å; E287-S290 PolarHBondContact O-OG 3.26Å; E287-S290 VanDerWaalsContact O-OG 3.13Å
291	S	46	Very low	56.5	Low	66 Å²	66	75.8 Å²	75.8	46%	0.462	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-23.3	-179.9	66.9	0	0	0	0	114.4	L288 F289	L288-S291 PolarHBondContact O-OG 2.73Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.42Å
292	H	49.8	Very low	59.2	Low	70 Å²	70	69.6 Å²	69.6	32%	0.324	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-0.7	-172.4	-69.3	-63.9	0	0	0	114.6	L288	L288-H292 PolarHBondContact O-CD2 3.34Å
293	T	55.2	Low	62.2	Low	18 Å²	18	66.9 Å²	66.9	11%	0.11	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-96.6	113.2	174.7	49.8	0	0	0	0	109.2	F259 I264 F289	F259-T293 HydrophobicContact CB-CG2 4.18Å; I264-T293 HydrophobicContact CD1-CG2 4.05Å; I264-T293 VanDerWaalsContact CD1-OG1 3.31Å; I264-T293 WeakPolarHBondContact CD1-OG1 3.25Å; I264-T293 HydrophobicContact CG1-CG2 4.49Å; F289-T293 HydrophobicContact CD1-CG2 4.24Å; F289-T293 WeakPolarHBondContact O-CG2 3.36Å; F289-T293 PolarHBondContact O-N 2.71Å; F289-T293 PolarHBondContact O-OG1 2.88Å
294	K	67.2	Low	65	Low	80 Å²	80	60 Å²	60	35%	0.348	31%	0.31	S	S	.	.			trans	-127.9	146.5	-179.4	-58.5	-176	173.9	-175.5	0	109.7	D245 D296 F427	D245-K294 HydrophobicContact CB-CD 4.3Å; D245-K294 IonicContact OD1-NZ 3.79Å; D245-K294 PolarHBondContact OD1-NZ 2.67Å; D245-K294 IonicContact OD2-NZ 3.67Å; D245-K294 PolarHBondContact OD2-NZ 2.75Å; K294-D296 WeakPolarHBondContact CB-O 3.35Å; K294-F427 WeakPolarHBondContact O-CD2 3.21Å
295	T	73.5	Confident	67.9	Low	63 Å²	63	50.1 Å²	50.1	39%	0.387	27%	0.273	S	S	.	.	S	Bend	trans	-69.9	-24.4	169.8	41.5	0	0	0	0	111.8	S261 Q426 F427	S261-T295 WeakPolarHBondContact OG-CG2 3.17Å; T295-Q426 CarbonylContact O-C 3.55Å; T295-Q426 WeakPolarHBondContact O-CA 3.37Å; T295-F427 PolarHBondContact O-N 3.43Å
296	D	81.3	Confident	70.5	Confident	77 Å²	77	47.6 Å²	47.6	41%	0.412	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157	-176	54.4	-74.9	0	0	0	109.8	K294 Y425 Q426	K294-D296 WeakPolarHBondContact CB-O 3.35Å; D296-Y425 CarbonylContact C-O 3.52Å; D296-Y425 WeakPolarHBondContact CA-O 2.98Å; D296-Q426 HydrophobicContact CB-CB 4.26Å; D296-Q426 HydrophobicContact CB-CG 4.08Å
297	G	86.1	Confident	73	Confident	7 Å²	7	48.1 Å²	48.1	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	175.4	178.8	0	0	0	0	0	114.3	D245 V424 Y425	D245-G297 WeakPolarHBondContact OD2-CA 3.18Å; G297-V424 VanDerWaalsContact O-CA 3.28Å; G297-V424 WeakPolarHBondContact O-CA 3.27Å; G297-V424 VanDerWaalsContact O-CG1 3.31Å; G297-V424 WeakPolarHBondContact O-CG1 3.07Å; G297-Y425 VanDerWaalsContact CA-CE1 3.48Å; G297-Y425 PolarHBondContact N-O 2.84Å; G297-Y425 WeakPolarHBondContact O-CD1 3.26Å; G297-Y425 WeakPolarHBondContact O-CE1 3.38Å; G297-Y425 PolarHBondContact O-N 2.82Å
298	K	91.1	Very high	75.6	Confident	74 Å²	74	41.5 Å²	41.5	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.2	-178.2	-74.4	178.3	179.6	-163.9	0	111.9	D245 F300 G423 V424	D245-K298 WeakPolarHBondContact CB-O 3.46Å; D245-K298 PolarHBondContact N-O 2.88Å; D245-K298 PolarHBondContact OD2-N 2.82Å; K298-F300 HydrophobicContact CB-CE2 4.04Å; K298-F300 HydrophobicContact CB-CZ 4.25Å; K298-F300 HydrophobicContact CD-CZ 4.39Å; K298-G423 CarbonylContact C-O 3.53Å; K298-G423 WeakPolarHBondContact CA-O 3.23Å; K298-V424 HydrophobicContact CB-CG2 4.42Å; K298-V424 HydrophobicContact CD-CG2 4.42Å; K298-V424 HydrophobicContact CG-CG2 3.47Å; K298-V424 VanDerWaalsContact CG-CG2 3.47Å
299	F	94.5	Very high	77.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153	171.4	71.6	-79.2	0	0	0	110.1	T244 F258 Y316 F318 I328 L330 L407 F421 G423 Y425	T244-F299 HydrophobicContact CG2-CB 3.67Å; F258-F299 HydrophobicContact CE1-CB 3.83Å; F258-F299 HydrophobicContact CE2-CB 4.49Å; F258-F299 HydrophobicContact CZ-CB 3.48Å; F258-F299 VanDerWaalsContact CZ-CB 3.48Å; F258-F299 HydrophobicContact CZ-CG 4.1Å; F299-Y316 AromaticContact CD2-CD1 3.6Å; F299-Y316 HydrophobicContact CD2-CD1 3.6Å; F299-Y316 AromaticContact CD2-CE1 3.79Å; F299-Y316 HydrophobicContact CD2-CE1 3.79Å; F299-Y316 HydrophobicContact CD2-CG 4.3Å; F299-Y316 HydrophobicContact CE2-CD1 4.24Å; F299-Y316 HydrophobicContact CG-CD1 4.38Å; F299-F318 HydrophobicContact CD1-CE1 4.29Å; F299-F318 HydrophobicContact CD1-CZ 4.03Å; F299-F318 HydrophobicContact CD2-CZ 4.42Å; F299-F318 HydrophobicContact CE1-CE1 4.15Å; F299-F318 AromaticContact CE1-CZ 3.69Å; F299-F318 HydrophobicContact CE1-CZ 3.69Å; F299-F318 HydrophobicContact CE2-CZ 4.14Å; F299-F318 HydrophobicContact CG-CZ 4.37Å; F299-F318 HydrophobicContact CZ-CE2 4.48Å; F299-F318 AromaticContact CZ-CZ 3.75Å; F299-F318 HydrophobicContact CZ-CZ 3.75Å; F299-I328 HydrophobicContact CE1-CG2 3.94Å; F299-I328 HydrophobicContact CZ-CG2 3.69Å; F299-L330 HydrophobicContact CE2-CD2 3.99Å; F299-L330 HydrophobicContact CZ-CD2 3.6Å; F299-L407 HydrophobicContact CE2-CD1 3.68Å; F299-L407 HydrophobicContact CZ-CD1 3.93Å; F299-F421 AromaticContact CD2-CE2 3.94Å; F299-F421 HydrophobicContact CD2-CE2 3.94Å; F299-F421 HydrophobicContact CE2-CD2 4.27Å; F299-F421 AromaticContact CE2-CE2 3.6Å; F299-F421 HydrophobicContact CE2-CE2 3.6Å; F299-F421 HydrophobicContact CE2-CZ 4.5Å; F299-G423 VanDerWaalsContact CD1-C 3.45Å; F299-G423 WeakPolarHBondContact CD1-O 3.45Å; F299-G423 VanDerWaalsContact CE1-C 3.44Å; F299-G423 PolarHBondContact N-O 2.59Å; F299-G423 CarbonylContact O-C 3.54Å; F299-G423 VanDerWaalsContact O-CA 3.26Å; F299-G423 WeakPolarHBondContact O-CA 3.35Å; F299-G423 PolarHBondContact O-N 3.05Å; F299-Y425 AromaticContact CD1-CD1 3.97Å; F299-Y425 HydrophobicContact CD1-CD1 3.97Å
300	F	95.2	Very high	80.2	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.2	-175.8	-54.3	-93.1	0	0	0	110.9	A241 Y242 Q243 T244 K298 Y304 Y316 F421 E422	A241-F300 WeakPolarHBondContact O-CZ 3.11Å; Y242-F300 VanDerWaalsContact C-CE2 3.47Å; Y242-F300 HydrophobicContact CD1-CE1 4.17Å; Y242-F300 HydrophobicContact CD1-CZ 4.43Å; Y242-F300 WeakPolarHBondContact O-CD2 3.44Å; Q243-F300 WeakPolarHBondContact O-CE2 3.47Å; T244-F300 PolarHBondContact OG1-N 3.05Å; K298-F300 HydrophobicContact CB-CE2 4.04Å; K298-F300 HydrophobicContact CB-CZ 4.25Å; K298-F300 HydrophobicContact CD-CZ 4.39Å; F300-Y304 HydrophobicContact CB-CD1 4.15Å; F300-Y304 HydrophobicContact CB-CG 3.96Å; F300-Y304 AromaticContact CD1-CD1 3.25Å; F300-Y304 HydrophobicContact CD1-CD1 3.25Å; F300-Y304 AromaticContact CD1-CE1 3.65Å; F300-Y304 HydrophobicContact CD1-CE1 3.65Å; F300-Y304 AromaticContact CD1-CG 3.85Å; F300-Y304 HydrophobicContact CD1-CG 3.85Å; F300-Y304 AromaticContact CE1-CD1 3.88Å; F300-Y304 HydrophobicContact CE1-CD1 3.88Å; F300-Y304 AromaticContact CE1-CE1 3.92Å; F300-Y304 HydrophobicContact CE1-CE1 3.92Å; F300-Y304 AromaticContact CG-CD1 3.96Å; F300-Y304 HydrophobicContact CG-CD1 3.96Å; F300-Y304 HydrophobicContact CG-CG 4.29Å; F300-Y316 WeakPolarHBondContact O-CE1 3.49Å; F300-Y316 PolarHBondContact O-OH 3.07Å; F300-F421 WeakPolarHBondContact CA-O 3.47Å; F300-E422 HydrophobicContact CD1-CB 3.96Å; F300-E422 HydrophobicContact CD1-CG 4Å; F300-E422 HydrophobicContact CE1-CB 4Å; F300-E422 HydrophobicContact CE1-CG 3.57Å; F300-E422 HydrophobicContact CZ-CG 4.49Å
301	S	94.7	Very high	82	Confident	3 Å²	3	44 Å²	44	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	-57.2	156.2	164.4	54.9	0	0	0	0	110.8	N303 Y304 Y316 R419 G420 F421	S301-N303 PolarHBondContact O-N 3.21Å; S301-Y304 VanDerWaalsContact O-CB 3.32Å; S301-Y304 WeakPolarHBondContact O-CB 3.24Å; S301-Y304 PolarHBondContact O-N 3.39Å; S301-Y304 VanDerWaalsContact O-N 3.16Å; S301-Y316 WeakPolarHBondContact CA-OH 3.47Å; S301-R419 PolarHBondContact OG-O 3.08Å; S301-G420 VanDerWaalsContact OG-CA 3.29Å; S301-G420 WeakPolarHBondContact OG-CA 3.17Å; S301-F421 PolarHBondContact N-O 3.5Å; S301-F421 PolarHBondContact OG-N 3.45Å; S301-F421 PolarHBondContact OG-O 2.73Å
302	P	92	Very high	84.1	Confident	18 Å²	18	42.2 Å²	42.2	12%	0.117	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	134.7	-179.9	-22	32.3	0	0	0	112	C254 Y304 Y308 M312 C314 Y316 L409	C254-P302 HydrophobicContact CB-CG 4.07Å; P302-Y304 PolarHBondContact O-N 3.39Å; P302-Y308 WeakPolarHBondContact O-CA 3.15Å; P302-Y308 WeakPolarHBondContact O-CB 3.34Å; P302-M312 HydrophobicContact CB-CE 3.94Å; P302-M312 HydrophobicContact CG-CE 3.97Å; P302-C314 HydrophobicContact CG-CB 4.25Å; P302-C314 WeakPolarHBondContact CG-SG 3.34Å; P302-Y316 WeakPolarHBondContact CD-OH 3.49Å; P302-L409 HydrophobicContact CG-CD2 4.4Å
303	N	89.9	Confident	86.1	Confident	64 Å²	64	42.9 Å²	42.9	34%	0.342	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	1.8	-178.9	-50.4	-41.6	0	0	0	117.1	S301 R306 F307	S301-N303 PolarHBondContact O-N 3.21Å; N303-R306 CarbonylContact C-O 3.56Å; N303-R306 HydrophobicContact CB-CB 4.28Å; N303-R306 WeakPolarHBondContact O-CA 3.36Å; N303-R306 WeakPolarHBondContact O-CB 3.33Å; N303-R306 PolarHBondContact O-N 2.93Å; N303-F307 PolarHBondContact ND2-O 3.39Å
304	Y	92.9	Very high	88	Confident	26 Å²	26	42 Å²	42	10%	0.102	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	139.9	178.8	-170.5	-85.6	0	0	0	111.8	Y242 F300 S301 P302 R306 R419 E422	Y242-Y304 AromaticContact CD1-CD1 3.82Å; Y242-Y304 HydrophobicContact CD1-CD1 3.82Å; Y242-Y304 AromaticContact CD1-CE1 3.83Å; Y242-Y304 HydrophobicContact CD1-CE1 3.83Å; Y242-Y304 HydrophobicContact CE1-CD1 4.43Å; Y242-Y304 HydrophobicContact CE1-CE1 4.01Å; F300-Y304 HydrophobicContact CB-CD1 4.15Å; F300-Y304 HydrophobicContact CB-CG 3.96Å; F300-Y304 AromaticContact CD1-CD1 3.25Å; F300-Y304 HydrophobicContact CD1-CD1 3.25Å; F300-Y304 AromaticContact CD1-CE1 3.65Å; F300-Y304 HydrophobicContact CD1-CE1 3.65Å; F300-Y304 AromaticContact CD1-CG 3.85Å; F300-Y304 HydrophobicContact CD1-CG 3.85Å; F300-Y304 AromaticContact CE1-CD1 3.88Å; F300-Y304 HydrophobicContact CE1-CD1 3.88Å; F300-Y304 AromaticContact CE1-CE1 3.92Å; F300-Y304 HydrophobicContact CE1-CE1 3.92Å; F300-Y304 AromaticContact CG-CD1 3.96Å; F300-Y304 HydrophobicContact CG-CD1 3.96Å; F300-Y304 HydrophobicContact CG-CG 4.29Å; S301-Y304 VanDerWaalsContact O-CB 3.32Å; S301-Y304 WeakPolarHBondContact O-CB 3.24Å; S301-Y304 PolarHBondContact O-N 3.39Å; S301-Y304 VanDerWaalsContact O-N 3.16Å; P302-Y304 PolarHBondContact O-N 3.39Å; Y304-R306 VanDerWaalsContact C-N 3.32Å; Y304-R419 HydrophobicContact CD2-CG 4.35Å; Y304-R419 VanDerWaalsContact CD2-O 3.3Å; Y304-R419 WeakPolarHBondContact CD2-O 3.46Å; Y304-R419 HydrophobicContact CE2-CG 3.94Å; Y304-E422 HydrophobicContact CE1-CB 4.31Å
305	P	89.8	Confident	89.3	Confident	8 Å²	8	40 Å²	40	5%	0.052	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.5	2.7	4.1	32	-37.3	0	0	0	115.4	I149 H210 Y242	I149-P305 HydrophobicContact CD1-CG 4.09Å; H210-P305 HydrophobicContact CB-CG 4.13Å; H210-P305 WeakPolarHBondContact CD2-CG 3.32Å; Y242-P305 HydrophobicContact CD1-CG 4.3Å; Y242-P305 HydrophobicContact CE1-CB 4.49Å; Y242-P305 HydrophobicContact CE1-CG 4.25Å; Y242-P305 HydrophobicContact CG-CG 4.49Å
306	R	88.3	Confident	90.3	Very high	46 Å²	46	37.2 Å²	37.2	17%	0.174	19%	0.191	C	C	.	.	S	Bend	trans	-75.5	166.7	171.5	-56.6	-178.9	-61.6	148.7	6.5	111.1	H210 N303 Y304	H210-R306 HydrophobicContact CB-CG 3.72Å; H210-R306 VanDerWaalsContact O-CD 3.22Å; H210-R306 WeakPolarHBondContact O-CD 3.36Å; H210-R306 WeakPolarHBondContact O-CG 3.32Å; N303-R306 CarbonylContact C-O 3.56Å; N303-R306 HydrophobicContact CB-CB 4.28Å; N303-R306 WeakPolarHBondContact O-CA 3.36Å; N303-R306 WeakPolarHBondContact O-CB 3.33Å; N303-R306 PolarHBondContact O-N 2.93Å; Y304-R306 VanDerWaalsContact C-N 3.32Å
307	F	87.3	Confident	90.8	Very high	50 Å²	50	33.7 Å²	33.7	22%	0.219	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69	138.6	-179.5	-64.5	-0	0	0	0	111.8	V206 N303 A418 R419	V206-F307 HydrophobicContact CG1-CZ 4.33Å; V206-F307 HydrophobicContact CG2-CE2 3.75Å; V206-F307 HydrophobicContact CG2-CZ 4.06Å; N303-F307 PolarHBondContact ND2-O 3.39Å; F307-A418 WeakPolarHBondContact CA-O 3.38Å; F307-R419 HydrophobicContact CD1-CB 4.22Å; F307-R419 HydrophobicContact CE1-CB 4.13Å
308	Y	90.1	Very high	91.1	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.012	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-71.6	161.6	168.1	59.6	-105.8	0	0	0	110.2	P302 L335 W336 D348 L409 T411 G417 A418 G420	P302-Y308 WeakPolarHBondContact O-CA 3.15Å; P302-Y308 WeakPolarHBondContact O-CB 3.34Å; Y308-L335 HydrophobicContact CE1-CD2 4.19Å; Y308-W336 PolarHBondContact OH-N 3.43Å; Y308-D348 WeakPolarHBondContact CE2-OD2 3.4Å; Y308-D348 VanDerWaalsContact CZ-OD2 3.25Å; Y308-D348 WeakPolarHBondContact OH-CB 3.13Å; Y308-D348 PolarHBondContact OH-OD2 3.46Å; Y308-L409 HydrophobicContact CD1-CD2 4.48Å; Y308-T411 HydrophobicContact CD2-CG2 3.53Å; Y308-T411 HydrophobicContact CE2-CG2 3.39Å; Y308-T411 HydrophobicContact CG-CG2 4.45Å; Y308-G417 WeakPolarHBondContact O-CA 3.12Å; Y308-A418 WeakPolarHBondContact CD1-O 3.28Å; Y308-A418 HydrophobicContact CE1-CB 3.86Å; Y308-A418 WeakPolarHBondContact CE1-O 3.05Å; Y308-A418 PolarHBondContact N-O 2.84Å; Y308-A418 VanDerWaalsContact N-O 3.13Å; Y308-A418 WeakPolarHBondContact OH-CB 3.48Å; Y308-G420 VanDerWaalsContact CE1-CA 3.49Å
309	K	86.5	Confident	90.9	Very high	146 Å²	146	29.8 Å²	29.8	64%	0.635	15%	0.153	S	C	*	.	P	Polyproline II helix	trans	-88.7	159.7	-178.7	-52.8	-177.7	175.8	-176.3	0	112.5	M312 T411	K309-M312 HydrophobicContact CB-CG 4.21Å; K309-M312 HydrophobicContact CB-SD 3.57Å; K309-M312 VanDerWaalsContact CB-SD 3.57Å; K309-M312 HydrophobicContact CG-SD 4.28Å; K309-M312 PolarHBondContact N-SD 3.41Å; K309-M312 VanDerWaalsContact O-CG 3.32Å; K309-M312 WeakPolarHBondContact O-CG 3.36Å; K309-T411 PolarHBondContact O-OG1 2.91Å
310	A	85.9	Confident	90.3	Very high	34 Å²	34	29.8 Å²	29.8	28%	0.281	15%	0.153	S	C	.	.	S	Bend	trans	-65.1	163	172.1	0	0	0	0	0	112.9	M312 S415	A310-M312 PolarHBondContact O-N 3.15Å; A310-S415 WeakPolarHBondContact CB-O 3.4Å
311	S	85.1	Confident	89.3	Confident	68 Å²	68	32.2 Å²	32.2	48%	0.476	16%	0.164	S	C	.	.	S	Bend	trans	54	34.7	175.5	-52	0	0	0	0	114.7	T411 H412 V413	S311-T411 PolarHBondContact N-OG1 2.88Å; S311-T411 VanDerWaalsContact N-OG1 3.14Å; S311-H412 PolarHBondContact N-O 2.93Å; S311-V413 VanDerWaalsContact OG-CA 3.29Å; S311-V413 WeakPolarHBondContact OG-CA 3.07Å
312	M	89.5	Confident	88	Confident	27 Å²	27	34.6 Å²	34.6	13%	0.133	18%	0.181	C	C	.	.			trans	-105.1	144	179.9	-65.7	-174.2	73.1	0	0	110.7	C254 P302 K309 A310 T411	C254-M312 HydrophobicContact CB-CE 4.14Å; P302-M312 HydrophobicContact CB-CE 3.94Å; P302-M312 HydrophobicContact CG-CE 3.97Å; K309-M312 HydrophobicContact CB-CG 4.21Å; K309-M312 HydrophobicContact CB-SD 3.57Å; K309-M312 VanDerWaalsContact CB-SD 3.57Å; K309-M312 HydrophobicContact CG-SD 4.28Å; K309-M312 PolarHBondContact N-SD 3.41Å; K309-M312 VanDerWaalsContact O-CG 3.32Å; K309-M312 WeakPolarHBondContact O-CG 3.36Å; A310-M312 PolarHBondContact O-N 3.15Å; M312-T411 WeakPolarHBondContact CA-OG1 3.06Å; M312-T411 HydrophobicContact CB-CG2 4.26Å; M312-T411 WeakPolarHBondContact CB-OG1 3.25Å; M312-T411 PolarHBondContact N-OG1 3.05Å; M312-T411 PolarHBondContact O-N 3.33Å; M312-T411 PolarHBondContact O-OG1 3.41Å
313	L	91.9	Very high	86.8	Confident	85 Å²	85	36.3 Å²	36.3	45%	0.445	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	108.1	168.8	-175.2	70.8	0	0	0	106.8	T408 L409 Q410	L313-T408 HydrophobicContact CD1-CG2 3.49Å; L313-T408 VanDerWaalsContact CD1-CG2 3.49Å; L313-T408 HydrophobicContact CG-CG2 4.34Å; L313-L409 CarbonylContact C-O 3.57Å; L313-L409 WeakPolarHBondContact CA-O 3.15Å; L313-Q410 HydrophobicContact CD1-CB 3.8Å; L313-Q410 HydrophobicContact CD1-CG 3.98Å
314	C	94.5	Very high	86.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.9	-177	-57.3	0	0	0	0	110.3	C254 D255 P302 Y316 T408 L409	C254-C314 HydrophobicContact CB-CB 3.86Å; C254-C314 WeakPolarHBondContact CB-SG 3.45Å; C254-C314 WeakPolarHBondContact SG-CA 3.29Å; C254-C314 WeakPolarHBondContact SG-CB 3.48Å; C254-C314 CovalentContact SG-SG 2.02Å; C254-C314 PolarHBondContact SG-SG 2.88Å; D255-C314 WeakPolarHBondContact OD1-CA 3.43Å; P302-C314 HydrophobicContact CG-CB 4.25Å; P302-C314 WeakPolarHBondContact CG-SG 3.34Å; C314-Y316 HydrophobicContact CB-CE2 4.06Å; C314-T408 CarbonylContact O-C 3.54Å; C314-T408 WeakPolarHBondContact O-CA 3.32Å; C314-L409 HydrophobicContact CB-CB 4.34Å; C314-L409 PolarHBondContact N-O 3.1Å; C314-L409 PolarHBondContact O-N 2.88Å
315	K	94.2	Very high	85.2	Confident	38 Å²	38	36.5 Å²	36.5	17%	0.165	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.3	-176.8	-60.4	174.3	-172.9	172.5	0	110.8	D255 Q256 Y317 Y380 M406 L407 T408	D255-K315 CarbonylContact C-O 3.5Å; D255-K315 WeakPolarHBondContact CA-O 3.4Å; D255-K315 HydrophobicContact CB-CB 4.44Å; D255-K315 WeakPolarHBondContact CB-O 3.09Å; D255-K315 PolarHBondContact OD1-N 2.83Å; Q256-K315 PolarHBondContact N-O 2.95Å; K315-Y317 HydrophobicContact CB-CD2 4.36Å; K315-Y317 HydrophobicContact CB-CE1 4.42Å; K315-Y317 HydrophobicContact CB-CE2 3.62Å; K315-Y317 WeakPolarHBondContact CD-OH 3.47Å; K315-Y380 WeakPolarHBondContact CE-OH 3.1Å; K315-Y380 PolarHBondContact NZ-OH 3.37Å; K315-M406 HydrophobicContact CB-CG 4.4Å; K315-M406 HydrophobicContact CB-SD 4.34Å; K315-M406 HydrophobicContact CD-SD 3.97Å; K315-M406 HydrophobicContact CG-SD 4.23Å; K315-L407 CarbonylContact C-O 3.49Å; K315-L407 WeakPolarHBondContact CA-O 3.39Å; K315-T408 HydrophobicContact CG-CG2 4.18Å
316	Y	95.4	Very high	84.8	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.2	178.3	-56.4	-108.7	0	0	0	107.3	Q256 F258 F299 F300 S301 P302 C314 M406 L407 F421	Q256-Y316 HydrophobicContact CB-CD1 3.88Å; Q256-Y316 HydrophobicContact CB-CE1 4.33Å; Q256-Y316 HydrophobicContact CG-CD1 4.13Å; Q256-Y316 HydrophobicContact CG-CE1 4.06Å; Q256-Y316 WeakPolarHBondContact O-CA 3.19Å; F258-Y316 AromaticContact CE2-CD1 3.89Å; F258-Y316 HydrophobicContact CE2-CD1 3.89Å; F258-Y316 HydrophobicContact CE2-CG 4.48Å; F258-Y316 HydrophobicContact CZ-CD1 4.18Å; F299-Y316 AromaticContact CD2-CD1 3.6Å; F299-Y316 HydrophobicContact CD2-CD1 3.6Å; F299-Y316 AromaticContact CD2-CE1 3.79Å; F299-Y316 HydrophobicContact CD2-CE1 3.79Å; F299-Y316 HydrophobicContact CD2-CG 4.3Å; F299-Y316 HydrophobicContact CE2-CD1 4.24Å; F299-Y316 HydrophobicContact CG-CD1 4.38Å; F300-Y316 WeakPolarHBondContact O-CE1 3.49Å; F300-Y316 PolarHBondContact O-OH 3.07Å; S301-Y316 WeakPolarHBondContact CA-OH 3.47Å; P302-Y316 WeakPolarHBondContact CD-OH 3.49Å; C314-Y316 HydrophobicContact CB-CE2 4.06Å; Y316-M406 CarbonylContact O-C 3.41Å; Y316-M406 VanDerWaalsContact O-CA 3.32Å; Y316-M406 WeakPolarHBondContact O-CA 3.45Å; Y316-L407 HydrophobicContact CD2-CD2 3.77Å; Y316-L407 HydrophobicContact CE2-CD2 4.23Å; Y316-L407 PolarHBondContact N-O 2.73Å; Y316-L407 PolarHBondContact O-N 3.3Å; Y316-F421 AromaticContact CE2-CZ 3.93Å; Y316-F421 HydrophobicContact CE2-CZ 3.93Å
317	Y	92	Very high	84.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.3	-173.5	-62.2	-80	0	0	0	109.6	I249 D255 Q256 L257 F258 K315 I355 F378 Y380 M406	I249-Y317 HydrophobicContact CD1-CD2 4.12Å; I249-Y317 HydrophobicContact CD1-CE2 4.02Å; D255-Y317 HydrophobicContact CB-CE2 4.25Å; Q256-Y317 PolarHBondContact O-N 2.84Å; L257-Y317 HydrophobicContact CD1-CD2 4.43Å; L257-Y317 HydrophobicContact CD1-CG 4.2Å; F258-Y317 PolarHBondContact N-O 3.14Å; K315-Y317 HydrophobicContact CB-CD2 4.36Å; K315-Y317 HydrophobicContact CB-CE1 4.42Å; K315-Y317 HydrophobicContact CB-CE2 3.62Å; K315-Y317 WeakPolarHBondContact CD-OH 3.47Å; Y317-I355 HydrophobicContact CD1-CD1 3.79Å; Y317-I355 HydrophobicContact CE1-CD1 4.27Å; Y317-F378 AromaticContact CD1-CD1 3.62Å; Y317-F378 HydrophobicContact CD1-CD1 3.62Å; Y317-F378 AromaticContact CD1-CE1 3.85Å; Y317-F378 HydrophobicContact CD1-CE1 3.85Å; Y317-F378 HydrophobicContact CD1-CG 4.42Å; Y317-F378 HydrophobicContact CD2-CD1 4.49Å; Y317-F378 HydrophobicContact CE1-CB 4.45Å; Y317-F378 AromaticContact CE1-CD1 3.5Å; Y317-F378 HydrophobicContact CE1-CD1 3.5Å; Y317-F378 VanDerWaalsContact CE1-CD1 3.5Å; Y317-F378 HydrophobicContact CE1-CE1 4.13Å; Y317-F378 HydrophobicContact CE1-CG 4.3Å; Y317-F378 HydrophobicContact CE2-CB 4.02Å; Y317-F378 HydrophobicContact CE2-CD1 4.4Å; Y317-F378 HydrophobicContact CE2-CG 4.43Å; Y317-F378 HydrophobicContact CG-CD1 4.11Å; Y317-F378 HydrophobicContact CG-CE1 4.39Å; Y317-F378 AromaticContact CZ-CD1 3.91Å; Y317-Y380 AromaticContact CE1-CD1 3.79Å; Y317-Y380 HydrophobicContact CE1-CD1 3.79Å; Y317-Y380 AromaticContact CE1-CE1 3.94Å; Y317-Y380 HydrophobicContact CE1-CE1 3.94Å; Y317-Y380 HydrophobicContact CE1-CG 4.32Å; Y317-Y380 WeakPolarHBondContact OH-CE1 3.37Å; Y317-M406 HydrophobicContact CD1-CB 4.23Å; Y317-M406 HydrophobicContact CD1-CG 3.87Å; Y317-M406 HydrophobicContact CD1-SD 4.24Å; Y317-M406 HydrophobicContact CE1-CB 4.45Å; Y317-M406 HydrophobicContact CE1-CG 3.77Å; Y317-M406 HydrophobicContact CE1-SD 3.53Å; Y317-M406 VanDerWaalsContact CE1-SD 3.53Å
318	F	91.7	Very high	84.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.6	178.6	-61.1	-87.4	0	0	0	109.2	F258 F299 I326 I328 F404 I405 L407 Y425 F427	F258-F318 HydrophobicContact CB-CD1 3.81Å; F258-F318 HydrophobicContact CB-CE1 4.16Å; F258-F318 HydrophobicContact CD1-CE1 4.29Å; F258-F318 AromaticContact CD2-CD1 3.93Å; F258-F318 HydrophobicContact CD2-CD1 3.93Å; F258-F318 AromaticContact CD2-CE1 3.62Å; F258-F318 HydrophobicContact CD2-CE1 3.62Å; F258-F318 AromaticContact CD2-CZ 3.98Å; F258-F318 HydrophobicContact CD2-CZ 3.98Å; F258-F318 HydrophobicContact CE2-CE1 4.06Å; F258-F318 HydrophobicContact CE2-CZ 4.06Å; F258-F318 AromaticContact CG-CD1 3.93Å; F258-F318 HydrophobicContact CG-CD1 3.93Å; F258-F318 AromaticContact CG-CE1 3.76Å; F258-F318 HydrophobicContact CG-CE1 3.76Å; F299-F318 HydrophobicContact CD1-CE1 4.29Å; F299-F318 HydrophobicContact CD1-CZ 4.03Å; F299-F318 HydrophobicContact CD2-CZ 4.42Å; F299-F318 HydrophobicContact CE1-CE1 4.15Å; F299-F318 AromaticContact CE1-CZ 3.69Å; F299-F318 HydrophobicContact CE1-CZ 3.69Å; F299-F318 HydrophobicContact CE2-CZ 4.14Å; F299-F318 HydrophobicContact CG-CZ 4.37Å; F299-F318 HydrophobicContact CZ-CE2 4.48Å; F299-F318 AromaticContact CZ-CZ 3.75Å; F299-F318 HydrophobicContact CZ-CZ 3.75Å; F318-I326 HydrophobicContact CB-CD1 4.08Å; F318-I326 HydrophobicContact CB-CG2 4.07Å; F318-I326 WeakPolarHBondContact O-CD1 3.36Å; F318-I328 HydrophobicContact CD1-CD1 4.3Å; F318-I328 HydrophobicContact CD1-CG1 4.45Å; F318-I328 HydrophobicContact CD2-CD1 3.43Å; F318-I328 VanDerWaalsContact CD2-CD1 3.43Å; F318-I328 HydrophobicContact CD2-CG1 4.37Å; F318-I328 HydrophobicContact CE1-CD1 4.42Å; F318-I328 HydrophobicContact CE1-CG1 4.42Å; F318-I328 HydrophobicContact CE2-CD1 3.56Å; F318-I328 HydrophobicContact CE2-CG1 4.31Å; F318-I328 HydrophobicContact CG-CD1 3.82Å; F318-I328 HydrophobicContact CG-CG1 4.44Å; F318-I328 HydrophobicContact CZ-CD1 4.07Å; F318-I328 HydrophobicContact CZ-CG1 4.33Å; F318-F404 WeakPolarHBondContact O-CA 3.46Å; F318-I405 PolarHBondContact N-O 2.94Å; F318-I405 PolarHBondContact O-N 2.85Å; F318-L407 HydrophobicContact CE2-CB 4.31Å; F318-Y425 HydrophobicContact CD1-CD1 4.49Å; F318-Y425 HydrophobicContact CD1-CD2 4.26Å; F318-Y425 AromaticContact CD1-CG 3.92Å; F318-Y425 HydrophobicContact CD1-CG 3.92Å; F318-Y425 VanDerWaalsContact CE1-CB 3.45Å; F318-Y425 AromaticContact CE1-CD1 3.8Å; F318-Y425 HydrophobicContact CE1-CD1 3.8Å; F318-Y425 HydrophobicContact CE1-CD2 4.35Å; F318-Y425 AromaticContact CE1-CG 3.6Å; F318-Y425 HydrophobicContact CE1-CG 3.6Å; F318-F427 HydrophobicContact CB-CE1 4.17Å; F318-F427 HydrophobicContact CB-CZ 4.32Å; F318-F427 HydrophobicContact CD1-CZ 4.4Å
319	L	86.5	Confident	84.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	100.9	-174.8	-53.9	176.8	0	0	0	111.2	L257 F258 F259 S260 F263 F360 F378 F404	L257-L319 HydrophobicContact CD1-CD1 3.54Å; L257-L319 HydrophobicContact CD1-CG 4.09Å; L257-L319 HydrophobicContact CG-CD1 4.32Å; F258-L319 PolarHBondContact O-N 3.22Å; F259-L319 HydrophobicContact CD1-CB 4.1Å; F259-L319 HydrophobicContact CD1-CD1 3.73Å; F259-L319 HydrophobicContact CD1-CG 4.47Å; F259-L319 HydrophobicContact CE1-CD1 3.45Å; F259-L319 VanDerWaalsContact CE1-CD1 3.45Å; F259-L319 HydrophobicContact CZ-CD1 4.36Å; S260-L319 PolarHBondContact N-O 2.56Å; F263-L319 WeakPolarHBondContact CE2-O 3.12Å; L319-F360 HydrophobicContact CD1-CE2 3.62Å; L319-F360 HydrophobicContact CD1-CZ 3.73Å; L319-F378 HydrophobicContact CD1-CE2 4.2Å; L319-F378 HydrophobicContact CD1-CZ 4.1Å; L319-F378 HydrophobicContact CD2-CZ 4.08Å; L319-F404 HydrophobicContact CB-CD1 4.01Å; L319-F404 HydrophobicContact CB-CE1 4.26Å; L319-F404 HydrophobicContact CD2-CB 3.91Å; L319-F404 HydrophobicContact CD2-CD1 3.3Å; L319-F404 HydrophobicContact CD2-CE1 3.99Å; L319-F404 HydrophobicContact CD2-CG 3.76Å; L319-F404 HydrophobicContact CG-CD1 4.24Å
320	A	82.1	Confident	84.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.			trans	-91.2	157	177.7	0	0	0	0	0	112	E324 I326 R403 F427	A320-E324 HydrophobicContact CB-CB 3.95Å; A320-I326 HydrophobicContact CB-CD1 3.89Å; A320-I326 HydrophobicContact CB-CG1 3.57Å; A320-R403 WeakPolarHBondContact CA-O 3.49Å; A320-R403 WeakPolarHBondContact CB-O 3.42Å; A320-R403 PolarHBondContact N-O 3.2Å; A320-F427 HydrophobicContact CB-CD1 3.66Å; A320-F427 HydrophobicContact CB-CE1 4.05Å
321	H	74.9	Confident	84.3	Confident	55 Å²	55	23.8 Å²	23.8	26%	0.255	12%	0.124	S	C	.	.			trans	-68.2	162.9	170.2	-168	68	0	0	0	111.4	S262 N323 E324	S262-H321 WeakPolarHBondContact OG-CB 3.47Å; H321-N323 PolarHBondContact O-N 3.28Å; H321-N323 VanDerWaalsContact O-N 3.07Å; H321-E324 HydrophobicContact CB-CB 4.43Å; H321-E324 HydrophobicContact CB-CG 4.02Å; H321-E324 WeakPolarHBondContact CB-OE2 3.46Å; H321-E324 PolarHBondContact N-OE2 2.96Å; H321-E324 PolarHBondContact O-N 3.11Å
322	S	68.3	Low	84.4	Confident	53 Å²	53	24.6 Å²	24.6	37%	0.371	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-180	40.8	0	0	0	0	114	E324	S322-E324 VanDerWaalsContact C-N 3.35Å
323	N	66	Low	84.3	Confident	53 Å²	53	23.6 Å²	23.6	28%	0.283	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	14.8	-174	-42.1	13.6	0	0	0	109.7	H321 S429 R430 E431	H321-N323 PolarHBondContact O-N 3.28Å; H321-N323 VanDerWaalsContact O-N 3.07Å; N323-S429 CarbonylContact O-C 3.58Å; N323-S429 WeakPolarHBondContact O-CA 3.15Å; N323-R430 VanDerWaalsContact O-CB 3.28Å; N323-R430 WeakPolarHBondContact O-CB 3.5Å; N323-R430 VanDerWaalsContact O-CG 3.3Å; N323-R430 WeakPolarHBondContact O-CG 3.31Å; N323-R430 PolarHBondContact O-N 2.04Å; N323-E431 PolarHBondContact ND2-OE1 3.48Å
324	E	74.9	Confident	84.1	Confident	13 Å²	13	23.1 Å²	23.1	6%	0.061	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165.8	-174.3	-71.9	172.6	169.1	0	0	112.7	S260 S262 A320 H321 S322 L428 R430	S260-E324 WeakPolarHBondContact CB-OE2 3.18Å; S260-E324 PolarHBondContact OG-OE1 2.98Å; S260-E324 PolarHBondContact OG-OE2 3.31Å; S262-E324 VanDerWaalsContact OG-CD 3.31Å; S262-E324 PolarHBondContact OG-OE1 2.01Å; S262-E324 PolarHBondContact OG-OE2 3.23Å; A320-E324 HydrophobicContact CB-CB 3.95Å; H321-E324 HydrophobicContact CB-CB 4.43Å; H321-E324 HydrophobicContact CB-CG 4.02Å; H321-E324 WeakPolarHBondContact CB-OE2 3.46Å; H321-E324 PolarHBondContact N-OE2 2.96Å; H321-E324 PolarHBondContact O-N 3.11Å; S322-E324 VanDerWaalsContact C-N 3.35Å; E324-L428 CarbonylContact C-O 3.57Å; E324-L428 WeakPolarHBondContact CA-O 3.39Å; E324-R430 PolarHBondContact O-NE 2.76Å
325	R	74.6	Confident	83.7	Confident	81 Å²	81	23.5 Å²	23.5	31%	0.306	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.8	172	-65.8	178.1	165.2	-176.6	-12.7	108.9	D401 F427 L428 R430	R325-D401 WeakPolarHBondContact CD-OD1 3.45Å; R325-D401 IonicContact CZ-OD1 2.6Å; R325-D401 IonicContact NE-OD1 3.69Å; R325-D401 PolarHBondContact NE-OD1 3.14Å; R325-D401 IonicContact NH2-OD1 2.85Å; R325-D401 PolarHBondContact NH2-OD1 2.82Å; R325-F427 WeakPolarHBondContact O-CA 3.4Å; R325-L428 PolarHBondContact N-O 3.38Å; R325-L428 PolarHBondContact O-N 3.27Å; R325-R430 HydrophobicContact CG-CG 4.14Å
326	I	82.1	Confident	83.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.6	177.3	-58.7	167.8	0	0	0	108.8	F318 A320 I328 I399 S400 R403 I405 F427	F318-I326 HydrophobicContact CB-CD1 4.08Å; F318-I326 HydrophobicContact CB-CG2 4.07Å; F318-I326 WeakPolarHBondContact O-CD1 3.36Å; A320-I326 HydrophobicContact CB-CD1 3.89Å; A320-I326 HydrophobicContact CB-CG1 3.57Å; I326-I328 HydrophobicContact CG2-CD1 3.88Å; I326-I328 HydrophobicContact CG2-CG1 3.84Å; I326-I399 WeakPolarHBondContact O-CA 3.45Å; I326-S400 PolarHBondContact N-O 3.39Å; I326-S400 PolarHBondContact O-N 2.82Å; I326-R403 WeakPolarHBondContact CD1-O 3.25Å; I326-I405 HydrophobicContact CB-CD1 3.62Å; I326-I405 HydrophobicContact CB-CG1 4.48Å; I326-I405 HydrophobicContact CD1-CB 4.11Å; I326-I405 HydrophobicContact CD1-CD1 3.92Å; I326-I405 HydrophobicContact CD1-CG1 3.83Å; I326-I405 HydrophobicContact CG1-CD1 4.33Å; I326-I405 HydrophobicContact CG2-CD1 3.74Å; I326-F427 HydrophobicContact CD1-CE1 4.36Å; I326-F427 HydrophobicContact CG1-CD1 3.91Å; I326-F427 HydrophobicContact CG1-CE1 3.94Å
327	I	82.6	Confident	82.4	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.3	170.1	-56	-163.9	0	0	0	108	V397 I398 I399 Y425 Q426 L428 I449	I327-V397 HydrophobicContact CG2-CG1 4.31Å; I327-I398 CarbonylContact C-O 3.25Å; I327-I398 WeakPolarHBondContact CA-O 3.19Å; I327-I399 HydrophobicContact CD1-CD1 3.98Å; I327-I399 HydrophobicContact CD1-CG1 4.17Å; I327-I399 HydrophobicContact CG1-CD1 4.4Å; I327-I399 HydrophobicContact CG1-CG1 4.05Å; I327-I399 HydrophobicContact CG1-CG2 4.28Å; I327-I399 HydrophobicContact CG2-CG1 4.22Å; I327-Y425 CarbonylContact O-C 3.57Å; I327-Y425 WeakPolarHBondContact O-CA 3.45Å; I327-Q426 HydrophobicContact CB-CB 4.45Å; I327-Q426 PolarHBondContact N-O 2.91Å; I327-Q426 PolarHBondContact O-N 3.16Å; I327-L428 HydrophobicContact CD1-CD1 3.26Å; I327-L428 HydrophobicContact CG1-CD1 3.89Å; I327-I449 HydrophobicContact CD1-CD1 3.4Å; I327-I449 VanDerWaalsContact CD1-CD1 3.4Å; I327-I449 HydrophobicContact CD1-CG1 4.43Å; I327-I449 HydrophobicContact CG2-CD1 4.39Å; I327-I449 HydrophobicContact CG2-CG2 4.25Å
328	I	87.4	Confident	81.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.7	176	-61.8	162.7	0	0	0	108.1	F299 F318 I326 L330 F352 V397 I398 I405 V424	F299-I328 HydrophobicContact CE1-CG2 3.94Å; F299-I328 HydrophobicContact CZ-CG2 3.69Å; F318-I328 HydrophobicContact CD1-CD1 4.3Å; F318-I328 HydrophobicContact CD1-CG1 4.45Å; F318-I328 HydrophobicContact CD2-CD1 3.43Å; F318-I328 VanDerWaalsContact CD2-CD1 3.43Å; F318-I328 HydrophobicContact CD2-CG1 4.37Å; F318-I328 HydrophobicContact CE1-CD1 4.42Å; F318-I328 HydrophobicContact CE1-CG1 4.42Å; F318-I328 HydrophobicContact CE2-CD1 3.56Å; F318-I328 HydrophobicContact CE2-CG1 4.31Å; F318-I328 HydrophobicContact CG-CD1 3.82Å; F318-I328 HydrophobicContact CG-CG1 4.44Å; F318-I328 HydrophobicContact CZ-CD1 4.07Å; F318-I328 HydrophobicContact CZ-CG1 4.33Å; I326-I328 HydrophobicContact CG2-CD1 3.88Å; I326-I328 HydrophobicContact CG2-CG1 3.84Å; I328-L330 HydrophobicContact CG2-CD2 4.27Å; I328-F352 HydrophobicContact CB-CE1 4.26Å; I328-F352 HydrophobicContact CD1-CD1 4.35Å; I328-F352 HydrophobicContact CD1-CE1 3.91Å; I328-F352 HydrophobicContact CG2-CE1 3.83Å; I328-F352 HydrophobicContact CG2-CZ 4.1Å; I328-V397 CarbonylContact O-C 3.56Å; I328-V397 WeakPolarHBondContact O-CA 3.44Å; I328-I398 PolarHBondContact N-O 2.86Å; I328-I398 PolarHBondContact O-N 2.74Å; I328-I405 HydrophobicContact CD1-CG2 4.01Å; I328-V424 CarbonylContact C-O 3.58Å; I328-V424 WeakPolarHBondContact CA-O 3.41Å
329	K	84.1	Confident	80	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	172.7	179.6	169	-176.5	172.9	0	109.2	Q395 T396 V397 G423 V424 D450 F454	K329-Q395 VanDerWaalsContact CE-OE1 3.26Å; K329-T396 CarbonylContact C-O 3.58Å; K329-T396 VanDerWaalsContact CA-O 3.29Å; K329-T396 WeakPolarHBondContact CA-O 3.44Å; K329-V397 HydrophobicContact CB-CG2 4.19Å; K329-V397 HydrophobicContact CD-CG2 3.97Å; K329-V397 HydrophobicContact CG-CG2 3.87Å; K329-G423 CarbonylContact O-C 3.48Å; K329-G423 VanDerWaalsContact O-CA 3.26Å; K329-G423 WeakPolarHBondContact O-CA 3.18Å; K329-V424 PolarHBondContact N-O 2.93Å; K329-V424 PolarHBondContact O-N 3.41Å; K329-D450 VanDerWaalsContact NZ-CG 3.33Å; K329-D450 IonicContact NZ-OD1 2.73Å; K329-D450 PolarHBondContact NZ-OD1 2.81Å; K329-D450 IonicContact NZ-OD2 3.37Å; K329-F454 HydrophobicContact CB-CE2 4.24Å; K329-F454 HydrophobicContact CD-CD2 4.16Å; K329-F454 HydrophobicContact CD-CE2 4.12Å; K329-F454 HydrophobicContact CG-CE2 4.05Å
330	L	87.7	Confident	79.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	144	167	-52.6	-179.1	0	0	0	109.9	F299 I328 V333 I350 F352 L389 Q395 T396 L407 F421 E422	F299-L330 HydrophobicContact CE2-CD2 3.99Å; F299-L330 HydrophobicContact CZ-CD2 3.6Å; I328-L330 HydrophobicContact CG2-CD2 4.27Å; L330-V333 HydrophobicContact CB-CG2 3.77Å; L330-V333 HydrophobicContact CD1-CG2 4.34Å; L330-I350 HydrophobicContact CD1-CD1 4.08Å; L330-I350 HydrophobicContact CD1-CG2 4.39Å; L330-F352 HydrophobicContact CD1-CE2 3.78Å; L330-F352 HydrophobicContact CD1-CZ 3.72Å; L330-F352 HydrophobicContact CD2-CZ 4.41Å; L330-F352 HydrophobicContact CG-CZ 4.06Å; L330-L389 HydrophobicContact CD1-CD1 3.81Å; L330-Q395 CarbonylContact O-C 3.54Å; L330-Q395 VanDerWaalsContact O-CA 3.29Å; L330-Q395 WeakPolarHBondContact O-CA 3.34Å; L330-T396 HydrophobicContact CB-CG2 3.7Å; L330-T396 HydrophobicContact CD1-CG2 4.04Å; L330-T396 HydrophobicContact CG-CG2 3.99Å; L330-T396 PolarHBondContact N-O 2.82Å; L330-T396 PolarHBondContact O-N 2.85Å; L330-L407 HydrophobicContact CD1-CD1 4.32Å; L330-L407 HydrophobicContact CD2-CD1 4.03Å; L330-F421 HydrophobicContact CD2-CD2 3.85Å; L330-F421 HydrophobicContact CD2-CE2 4.31Å; L330-F421 HydrophobicContact CD2-CG 4.43Å; L330-E422 CarbonylContact C-O 3.54Å; L330-E422 VanDerWaalsContact CA-O 3.28Å; L330-E422 WeakPolarHBondContact CA-O 3.43Å
331	K	85.6	Confident	78.6	Confident	13 Å²	13	42.8 Å²	42.8	6%	0.057	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.1	172.9	-65.8	-166	170.9	-171.9	0	109.8	V333 E394 Q395 E422 F454	K331-V333 PolarHBondContact O-N 2.84Å; K331-E394 CarbonylContact C-O 3.5Å; K331-E394 WeakPolarHBondContact CA-O 3.4Å; K331-Q395 HydrophobicContact CG-CG 4.04Å; K331-E422 PolarHBondContact N-O 2.83Å; K331-E422 PolarHBondContact O-N 2.86Å; K331-F454 HydrophobicContact CD-CB 4.32Å; K331-F454 HydrophobicContact CD-CD1 4.38Å; K331-F454 HydrophobicContact CD-CD2 3.88Å; K331-F454 HydrophobicContact CD-CE2 4.07Å; K331-F454 HydrophobicContact CD-CG 3.98Å; K331-F454 HydrophobicContact CD-CZ 4.37Å; K331-F454 VanDerWaalsContact CE-CD2 3.46Å; K331-F454 HydrophobicContact CG-CD2 4.34Å; K331-F454 HydrophobicContact CG-CE2 4.06Å; K331-F454 HydrophobicContact CG-CZ 4.33Å
332	N	86.4	Confident	78.5	Confident	86 Å²	86	43.7 Å²	43.7	46%	0.46	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	43.5	173.4	-61	-29.9	0	0	0	111.8	Q334 E394 G420	N332-Q334 PolarHBondContact O-N 3.23Å; N332-E394 PolarHBondContact N-O 2.7Å; N332-G420 VanDerWaalsContact O-O 3.14Å
333	V	87.8	Confident	78.6	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	118.5	-178.4	-177	0	0	0	0	107.7	L330 K331 L335 I350 D392 E393 G420 F421	L330-V333 HydrophobicContact CB-CG2 3.77Å; L330-V333 HydrophobicContact CD1-CG2 4.34Å; K331-V333 PolarHBondContact O-N 2.84Å; V333-L335 HydrophobicContact CG1-CD1 4.04Å; V333-L335 HydrophobicContact CG1-CG 4.01Å; V333-I350 HydrophobicContact CG1-CD1 3.97Å; V333-D392 CarbonylContact O-C 3.55Å; V333-D392 VanDerWaalsContact O-CA 3.26Å; V333-D392 WeakPolarHBondContact O-CA 3.25Å; V333-E393 WeakPolarHBondContact CA-O 3.41Å; V333-E393 HydrophobicContact CB-CB 4.02Å; V333-E393 WeakPolarHBondContact CB-O 3.47Å; V333-E393 HydrophobicContact CG2-CB 4.48Å; V333-E393 PolarHBondContact N-O 3.27Å; V333-E393 PolarHBondContact O-N 3.26Å; V333-G420 CarbonylContact C-O 3.59Å; V333-G420 VanDerWaalsContact CA-O 3.27Å; V333-G420 WeakPolarHBondContact CA-O 3.41Å; V333-F421 HydrophobicContact CG2-CB 4.03Å
334	Q	86.4	Confident	78.8	Confident	76 Å²	76	42.6 Å²	42.6	36%	0.355	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.6	175.6	-166.2	-169.2	-11.2	0	0	108.5	N332 D392 A418 R419 G420	N332-Q334 PolarHBondContact O-N 3.23Å; Q334-D392 WeakPolarHBondContact CA-OD1 3.07Å; Q334-D392 WeakPolarHBondContact CG-OD1 3.28Å; Q334-A418 HydrophobicContact CG-CB 4.39Å; Q334-A418 VanDerWaalsContact O-CB 3.27Å; Q334-A418 WeakPolarHBondContact O-CB 3.17Å; Q334-R419 HydrophobicContact CB-CB 4.12Å; Q334-G420 PolarHBondContact N-O 3Å; Q334-G420 WeakPolarHBondContact O-CA 3.3Å; Q334-G420 PolarHBondContact O-N 3.35Å
335	L	88	Confident	78.8	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.242	C	C	.	.			trans	-123.7	134.5	-176.5	-60.7	171.4	0	0	0	110.6	Y308 V333 D348 I350 G391 L409	Y308-L335 HydrophobicContact CE1-CD2 4.19Å; V333-L335 HydrophobicContact CG1-CD1 4.04Å; V333-L335 HydrophobicContact CG1-CG 4.01Å; L335-D348 HydrophobicContact CB-CB 4.16Å; L335-D348 HydrophobicContact CD2-CB 4.48Å; L335-I350 HydrophobicContact CD1-CD1 3.85Å; L335-I350 HydrophobicContact CD1-CG1 3.84Å; L335-I350 HydrophobicContact CD2-CD1 4.15Å; L335-I350 HydrophobicContact CD2-CG1 4.22Å; L335-I350 HydrophobicContact CG-CD1 4.42Å; L335-G391 WeakPolarHBondContact CB-O 3.34Å; L335-G391 PolarHBondContact N-O 3.31Å; L335-L409 HydrophobicContact CD2-CD1 3.73Å
336	W	84.8	Confident	79.1	Confident	43 Å²	43	46.1 Å²	46.1	16%	0.163	24%	0.242	C	C	.	.			trans	-67.8	145	-178.2	179.1	85.5	0	0	0	112.5	Y308 R347 D348 H412 D414 S415 V416 A418	Y308-W336 PolarHBondContact OH-N 3.43Å; W336-R347 WeakPolarHBondContact O-CA 3.4Å; W336-D348 WeakPolarHBondContact CB-OD2 3.45Å; W336-D348 PolarHBondContact O-N 3.21Å; W336-H412 HydrophobicContact CE3-CB 4.41Å; W336-H412 HydrophobicContact CZ3-CB 3.99Å; W336-D414 HydrophobicContact CH2-CB 4.03Å; W336-D414 WeakPolarHBondContact CH2-O 3.2Å; W336-D414 WeakPolarHBondContact CZ2-O 3.22Å; W336-S415 VanDerWaalsContact CE3-CA 3.48Å; W336-V416 HydrophobicContact CG-CG2 4.49Å; W336-A418 HydrophobicContact CB-CB 4.2Å
337	S	77.2	Confident	79.3	Confident	27 Å²	27	49.5 Å²	49.5	19%	0.189	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-152.6	139.4	170.3	177.2	0	0	0	0	110.2	K339 C341 T344	S337-K339 VanDerWaalsContact CB-O 3.24Å; S337-K339 WeakPolarHBondContact CB-O 3.41Å; S337-K339 PolarHBondContact O-N 3.31Å; S337-K339 PolarHBondContact OG-O 2.9Å; S337-C341 WeakPolarHBondContact OG-CA 3.5Å; S337-T344 VanDerWaalsContact OG-CG2 3.23Å; S337-T344 WeakPolarHBondContact OG-CG2 3.02Å
338	Y	65.8	Low	79.6	Confident	146 Å²	146	49.3 Å²	49.3	57%	0.573	25%	0.254	S	S	*	.	S	Bend	trans	-64.1	-28.5	178.9	176.2	-112.5	0	0	0	113.1	Q346	Y338-Q346 PolarHBondContact N-O 2.91Å; Y338-Q346 VanDerWaalsContact N-O 3.08Å
339	K	67.6	Low	79.7	Confident	135 Å²	135	49.8 Å²	49.8	59%	0.587	26%	0.257	S	S	*	.	S	Bend	trans	-140.6	-166.6	177.3	-74.2	-172.5	176.7	-178.3	0	109.6	S337 C341 T344	S337-K339 VanDerWaalsContact CB-O 3.24Å; S337-K339 WeakPolarHBondContact CB-O 3.41Å; S337-K339 PolarHBondContact O-N 3.31Å; S337-K339 PolarHBondContact OG-O 2.9Å; K339-C341 PolarHBondContact O-N 2.97Å; K339-T344 HydrophobicContact CB-CG2 4.08Å
340	S	68.2	Low	80	Confident	84 Å²	84	49.6 Å²	49.6	59%	0.587	26%	0.257	S	S	*	.	S	Bend	trans	-53	130	170	68.7	0	0	0	0	110.1	H342 S343	S340-H342 PolarHBondContact O-N 3Å; S340-S343 WeakPolarHBondContact O-CB 3.16Å; S340-S343 PolarHBondContact O-N 3.23Å; S340-S343 PolarHBondContact O-OG 2.86Å; S340-S343 VanDerWaalsContact OG-CB 3.23Å; S340-S343 WeakPolarHBondContact OG-CB 2.89Å; S340-S343 PolarHBondContact OG-OG 3.42Å
341	C	71.3	Confident	80	Confident	15 Å²	15	51.1 Å²	51.1	10%	0.101	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.3	-35.7	-164.6	-168	0	0	0	0	114.1	S337 K339 S343 R347 C390 G391	S337-C341 WeakPolarHBondContact OG-CA 3.5Å; K339-C341 PolarHBondContact O-N 2.97Å; C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 3.04Å; C341-R347 WeakPolarHBondContact O-CD 2.89Å; C341-R347 VanDerWaalsContact SG-CD 3.59Å; C341-C390 HydrophobicContact CB-CB 4.26Å; C341-C390 WeakPolarHBondContact CB-SG 3.38Å; C341-C390 WeakPolarHBondContact SG-CA 3.29Å; C341-C390 WeakPolarHBondContact SG-CB 3.32Å; C341-C390 CovalentContact SG-SG 2.01Å; C341-C390 PolarHBondContact SG-SG 3.03Å; C341-G391 PolarHBondContact SG-N 2.74Å
342	H	71.7	Confident	80.1	Confident	74 Å²	74	50.5 Å²	50.5	34%	0.343	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-84.1	4.9	179	-56.1	-63	0	0	0	114.9	S340 K473 T475	S340-H342 PolarHBondContact O-N 3Å; H342-K473 HydrophobicContact CB-CD 3.89Å; H342-K473 PolarHBondContact O-NZ 2.77Å; H342-T475 PolarHBondContact CD2-OG1 3.16Å; H342-T475 PolarHBondContact NE2-OG1 2.98Å
343	S	71.5	Confident	80	Confident	64 Å²	64	47.6 Å²	47.6	45%	0.448	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-109.4	-14.7	-178.4	72.5	0	0	0	0	114.6	S340 C341	S340-S343 WeakPolarHBondContact O-CB 3.16Å; S340-S343 PolarHBondContact O-N 3.23Å; S340-S343 PolarHBondContact O-OG 2.86Å; S340-S343 VanDerWaalsContact OG-CB 3.23Å; S340-S343 WeakPolarHBondContact OG-CB 2.89Å; S340-S343 PolarHBondContact OG-OG 3.42Å; C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 3.04Å
344	T	68.2	Low	79.9	Confident	19 Å²	19	49 Å²	49	12%	0.117	25%	0.25	C	S	.	.			trans	-130.6	145.1	-173.4	177.9	0	0	0	0	110.4	S337 K339 Q346 R347	S337-T344 VanDerWaalsContact OG-CG2 3.23Å; S337-T344 WeakPolarHBondContact OG-CG2 3.02Å; K339-T344 HydrophobicContact CB-CG2 4.08Å; T344-Q346 VanDerWaalsContact C-N 3.33Å; T344-Q346 WeakPolarHBondContact CG2-O 3.32Å; T344-Q346 PolarHBondContact OG1-N 2.94Å; T344-R347 HydrophobicContact CG2-CB 4.47Å; T344-R347 VanDerWaalsContact O-CD 3.29Å; T344-R347 WeakPolarHBondContact O-CD 2.94Å; T344-R347 PolarHBondContact O-NH1 3.19Å
345	S	76.2	Confident	79.7	Confident	100 Å²	100	45.3 Å²	45.3	70%	0.699	23%	0.233	S	C	*	.	S	Bend	trans	-79.4	-16.4	167.1	53.5	0	0	0	0	113.2	R347	S345-R347 VanDerWaalsContact C-N 3.33Å; S345-R347 PolarHBondContact O-N 3.24Å
346	Q	81	Confident	79.4	Confident	67 Å²	67	46.3 Å²	46.3	31%	0.313	24%	0.24	S	C	.	.	S	Bend	trans	-82.2	81.2	176.2	-59.9	179.9	3.3	0	0	109.5	Y338 T344	Y338-Q346 PolarHBondContact N-O 2.91Å; Y338-Q346 VanDerWaalsContact N-O 3.08Å; T344-Q346 VanDerWaalsContact C-N 3.33Å; T344-Q346 WeakPolarHBondContact CG2-O 3.32Å; T344-Q346 PolarHBondContact OG1-N 2.94Å
347	R	85.8	Confident	78.9	Confident	71 Å²	71	44.4 Å²	44.4	27%	0.268	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-157.1	160.4	-175.2	65.9	-176.9	-168.8	-97.3	-1.6	111	W336 C341 T344 S345 T349	W336-R347 WeakPolarHBondContact O-CA 3.4Å; C341-R347 WeakPolarHBondContact O-CD 2.89Å; C341-R347 VanDerWaalsContact SG-CD 3.59Å; T344-R347 HydrophobicContact CG2-CB 4.47Å; T344-R347 VanDerWaalsContact O-CD 3.29Å; T344-R347 WeakPolarHBondContact O-CD 2.94Å; T344-R347 PolarHBondContact O-NH1 3.19Å; S345-R347 VanDerWaalsContact C-N 3.33Å; S345-R347 PolarHBondContact O-N 3.24Å; R347-T349 HydrophobicContact CG-CG2 3.94Å
348	D	89.4	Confident	78.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.			trans	-93.7	145.4	171.8	-59.7	-12	0	0	0	109.7	Y308 L335 W336 Q410 T411 H412 S415	Y308-D348 WeakPolarHBondContact CE2-OD2 3.4Å; Y308-D348 VanDerWaalsContact CZ-OD2 3.25Å; Y308-D348 WeakPolarHBondContact OH-CB 3.13Å; Y308-D348 PolarHBondContact OH-OD2 3.46Å; L335-D348 HydrophobicContact CB-CB 4.16Å; L335-D348 HydrophobicContact CD2-CB 4.48Å; W336-D348 WeakPolarHBondContact CB-OD2 3.45Å; W336-D348 PolarHBondContact O-N 3.21Å; D348-Q410 VanDerWaalsContact CA-O 3.31Å; D348-Q410 WeakPolarHBondContact CA-O 3.08Å; D348-T411 VanDerWaalsContact OD1-CA 3.27Å; D348-T411 WeakPolarHBondContact OD1-CA 3.43Å; D348-H412 PolarHBondContact OD1-N 3.04Å; D348-S415 WeakPolarHBondContact OD1-CB 3.17Å; D348-S415 PolarHBondContact OD1-OG 3.39Å; D348-S415 PolarHBondContact OD2-OG 2.92Å
349	T	88	Confident	78.2	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.2	-173.2	63	0	0	0	0	112.2	R347 H351 F388 L389 C390 L409 Q410	R347-T349 HydrophobicContact CG-CG2 3.94Å; T349-H351 WeakPolarHBondContact CB-NE2 3.24Å; T349-H351 PolarHBondContact OG1-CD2 2.71Å; T349-H351 PolarHBondContact OG1-NE2 2.9Å; T349-F388 HydrophobicContact CG2-CE2 3.52Å; T349-F388 HydrophobicContact CG2-CZ 3.62Å; T349-L389 WeakPolarHBondContact CA-O 3.42Å; T349-C390 HydrophobicContact CG2-CB 4.15Å; T349-L409 WeakPolarHBondContact O-CA 3.15Å; T349-Q410 PolarHBondContact N-O 3.22Å; T349-Q410 PolarHBondContact O-N 2.91Å
350	I	92.4	Very high	77.8	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.9	167.5	-61.6	164.9	0	0	0	108.6	L330 V333 L335 F352 F388 L389 L407 T408 L409 F421	L330-I350 HydrophobicContact CD1-CD1 4.08Å; L330-I350 HydrophobicContact CD1-CG2 4.39Å; V333-I350 HydrophobicContact CG1-CD1 3.97Å; L335-I350 HydrophobicContact CD1-CD1 3.85Å; L335-I350 HydrophobicContact CD1-CG1 3.84Å; L335-I350 HydrophobicContact CD2-CD1 4.15Å; L335-I350 HydrophobicContact CD2-CG1 4.22Å; L335-I350 HydrophobicContact CG-CD1 4.42Å; I350-F352 HydrophobicContact CG2-CD2 4.05Å; I350-F352 HydrophobicContact CG2-CE2 3.63Å; I350-F352 HydrophobicContact CG2-CZ 4.42Å; I350-F388 WeakPolarHBondContact O-CA 3.39Å; I350-L389 HydrophobicContact CB-CB 4.17Å; I350-L389 PolarHBondContact N-O 2.95Å; I350-L389 PolarHBondContact O-N 2.67Å; I350-L407 HydrophobicContact CG2-CD1 4.36Å; I350-L407 HydrophobicContact CG2-CD2 3.7Å; I350-L407 HydrophobicContact CG2-CG 3.74Å; I350-T408 CarbonylContact C-O 3.51Å; I350-T408 VanDerWaalsContact CA-O 3.29Å; I350-T408 WeakPolarHBondContact CA-O 3.47Å; I350-L409 HydrophobicContact CG1-CD1 3.97Å; I350-F421 HydrophobicContact CD1-CD1 3.41Å; I350-F421 VanDerWaalsContact CD1-CD1 3.41Å; I350-F421 HydrophobicContact CD1-CE1 3.74Å; I350-F421 HydrophobicContact CD1-CG 4.21Å; I350-F421 HydrophobicContact CG1-CD1 4.27Å; I350-F421 HydrophobicContact CG1-CE1 4.14Å
351	H	87	Confident	76.8	Confident	32 Å²	32	39.4 Å²	39.4	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	176.4	-62	-107.7	0	0	0	110.6	T349 H353 Q385 F388 L407 T408	T349-H351 WeakPolarHBondContact CB-NE2 3.24Å; T349-H351 PolarHBondContact OG1-CD2 2.71Å; T349-H351 PolarHBondContact OG1-NE2 2.9Å; H351-H353 VanDerWaalsContact CB-CE1 3.49Å; H351-H353 WeakPolarHBondContact CB-CE1 3.42Å; H351-Q385 PolarHBondContact ND1-NE2 3Å; H351-F388 AromaticContact CE1-CD2 3.33Å; H351-F388 WeakPolarHBondContact CE1-CD2 3.2Å; H351-F388 AromaticContact CE1-CE2 3.53Å; H351-F388 AromaticContact ND1-CD2 3.68Å; H351-F388 AromaticContact NE2-CD2 3.72Å; H351-F388 AromaticContact NE2-CE2 3.61Å; H351-L407 CarbonylContact O-C 3.59Å; H351-L407 VanDerWaalsContact O-CA 3.31Å; H351-L407 WeakPolarHBondContact O-CA 3.5Å; H351-T408 PolarHBondContact N-O 3.36Å; H351-T408 PolarHBondContact O-N 2.84Å
352	F	87.1	Confident	75.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.2	169.7	-74.4	-94	0	0	0	109.9	I328 L330 I350 Q385 L386 L387 L389 I398 I405 M406 L407	I328-F352 HydrophobicContact CB-CE1 4.26Å; I328-F352 HydrophobicContact CD1-CD1 4.35Å; I328-F352 HydrophobicContact CD1-CE1 3.91Å; I328-F352 HydrophobicContact CG2-CE1 3.83Å; I328-F352 HydrophobicContact CG2-CZ 4.1Å; L330-F352 HydrophobicContact CD1-CE2 3.78Å; L330-F352 HydrophobicContact CD1-CZ 3.72Å; L330-F352 HydrophobicContact CD2-CZ 4.41Å; L330-F352 HydrophobicContact CG-CZ 4.06Å; I350-F352 HydrophobicContact CG2-CD2 4.05Å; I350-F352 HydrophobicContact CG2-CE2 3.63Å; I350-F352 HydrophobicContact CG2-CZ 4.42Å; F352-Q385 CarbonylContact O-C 3.57Å; F352-Q385 WeakPolarHBondContact O-CA 3.46Å; F352-Q385 WeakPolarHBondContact O-CG 3.31Å; F352-L386 HydrophobicContact CB-CB 4.03Å; F352-L386 PolarHBondContact O-N 3.01Å; F352-L387 HydrophobicContact CB-CB 4.15Å; F352-L387 HydrophobicContact CD2-CB 4.04Å; F352-L387 HydrophobicContact CD2-CD2 4.33Å; F352-L387 HydrophobicContact CG-CB 4.44Å; F352-L387 PolarHBondContact N-O 3.43Å; F352-L389 HydrophobicContact CE2-CD1 4.31Å; F352-I398 HydrophobicContact CD1-CD1 3.59Å; F352-I398 HydrophobicContact CD1-CG2 4.42Å; F352-I398 HydrophobicContact CD2-CD1 3.37Å; F352-I398 HydrophobicContact CE1-CD1 3.36Å; F352-I398 HydrophobicContact CE2-CD1 3.13Å; F352-I398 HydrophobicContact CG-CD1 3.56Å; F352-I398 HydrophobicContact CG-CG1 4.5Å; F352-I398 HydrophobicContact CZ-CD1 3.1Å; F352-I405 HydrophobicContact CD1-CG2 4.16Å; F352-M406 WeakPolarHBondContact CA-O 3.25Å; F352-L407 HydrophobicContact CD1-CB 4.02Å; F352-L407 HydrophobicContact CD1-CG 4.29Å; F352-L407 HydrophobicContact CE1-CB 3.73Å; F352-L407 HydrophobicContact CE1-CD1 3.58Å; F352-L407 HydrophobicContact CE1-CG 3.74Å; F352-L407 HydrophobicContact CE2-CD1 4.08Å; F352-L407 HydrophobicContact CE2-CG 4.03Å; F352-L407 HydrophobicContact CZ-CB 4.16Å; F352-L407 HydrophobicContact CZ-CD1 3.29Å; F352-L407 HydrophobicContact CZ-CG 3.61Å
353	H	85.1	Confident	73.9	Confident	25 Å²	25	49.5 Å²	49.5	12%	0.116	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.9	178.4	-67.5	95	0	0	0	110.9	H351 I355 L382 K384 Q385 I405 M406	H351-H353 VanDerWaalsContact CB-CE1 3.49Å; H351-H353 WeakPolarHBondContact CB-CE1 3.42Å; H353-I355 HydrophobicContact CB-CG2 4.4Å; H353-L382 HydrophobicContact CB-CD2 3.56Å; H353-K384 CarbonylContact C-O 3.52Å; H353-K384 VanDerWaalsContact CA-O 3.31Å; H353-K384 WeakPolarHBondContact CA-O 3.2Å; H353-Q385 WeakPolarHBondContact NE2-CG 3.39Å; H353-Q385 PolarHBondContact NE2-OE1 2.89Å; H353-I405 CarbonylContact O-C 3.53Å; H353-I405 WeakPolarHBondContact O-CA 3.33Å; H353-M406 HydrophobicContact CB-CE 4.32Å; H353-M406 PolarHBondContact N-O 2.89Å; H353-M406 PolarHBondContact O-N 2.84Å
354	E	84.9	Confident	72.1	Confident	33 Å²	33	52.3 Å²	52.3	15%	0.154	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.5	158.6	-69	-179.9	167	0	0	108.6	K383 K384 L386 S400 H402	E354-K383 HydrophobicContact CB-CB 4.23Å; E354-K383 WeakPolarHBondContact O-CB 3.42Å; E354-K383 PolarHBondContact O-N 2.86Å; E354-K384 HydrophobicContact CB-CB 4.46Å; E354-K384 PolarHBondContact N-O 2.64Å; E354-L386 HydrophobicContact CG-CD1 3.9Å; E354-L386 HydrophobicContact CG-CD2 3.94Å; E354-L386 HydrophobicContact CG-CG 3.98Å; E354-S400 PolarHBondContact OE1-OG 2.98Å; E354-H402 HydrophobicContact CB-CB 4.26Å; E354-H402 HydrophobicContact CG-CB 3.72Å
355	I	82.7	Confident	70.8	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.3	-179.9	60.2	161.9	0	0	0	111.5	Y317 H353 F378 Y380 E381 L382 H402 F404 M406	Y317-I355 HydrophobicContact CD1-CD1 3.79Å; Y317-I355 HydrophobicContact CE1-CD1 4.27Å; H353-I355 HydrophobicContact CB-CG2 4.4Å; I355-F378 HydrophobicContact CD1-CE1 4.07Å; I355-Y380 HydrophobicContact CB-CD2 4.33Å; I355-Y380 HydrophobicContact CD1-CG 4.4Å; I355-Y380 HydrophobicContact CG2-CD2 3.85Å; I355-Y380 HydrophobicContact CG2-CE2 4.46Å; I355-E381 CarbonylContact C-O 3.59Å; I355-E381 WeakPolarHBondContact CA-O 3.47Å; I355-E381 WeakPolarHBondContact CB-O 3.47Å; I355-L382 HydrophobicContact CG2-CD2 4.09Å; I355-H402 PolarHBondContact O-CD2 3.38Å; I355-H402 PolarHBondContact O-NE2 2.7Å; I355-F404 HydrophobicContact CD1-CB 4.31Å; I355-F404 HydrophobicContact CG1-CB 3.68Å; I355-F404 PolarHBondContact N-O 3.27Å; I355-F404 WeakPolarHBondContact O-CB 3.16Å; I355-M406 HydrophobicContact CD1-CB 4.08Å; I355-M406 HydrophobicContact CG1-CB 4.33Å; I355-M406 HydrophobicContact CG2-CB 3.77Å; I355-M406 HydrophobicContact CG2-CE 4.29Å
356	T	81	Confident	68.7	Low	27 Å²	27	56.6 Å²	56.6	17%	0.166	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.9	163.7	28.3	0	0	0	0	110.6	Y380 E381 K383	T356-Y380 CarbonylContact O-C 3.5Å; T356-Y380 WeakPolarHBondContact O-CA 3.37Å; T356-Y380 WeakPolarHBondContact O-CB 3.28Å; T356-E381 PolarHBondContact N-O 2.9Å; T356-E381 PolarHBondContact O-N 2.76Å; T356-K383 HydrophobicContact CG2-CD 4.15Å; T356-K383 WeakPolarHBondContact OG1-CE 3.3Å
357	T	75.7	Confident	66.6	Low	4 Å²	4	60.4 Å²	60.4	3%	0.025	33%	0.328	C	S	.	.			trans	-141.4	136	174.7	173.9	0	0	0	0	109.7	L359 F360 F378 V379 F404	T357-L359 PolarHBondContact O-N 2.85Å; T357-L359 PolarHBondContact OG1-N 2.87Å; T357-F360 HydrophobicContact CG2-CD2 3.6Å; T357-F360 HydrophobicContact CG2-CE2 4.15Å; T357-F378 HydrophobicContact CG2-CE1 4.32Å; T357-F378 HydrophobicContact CG2-CZ 3.83Å; T357-V379 WeakPolarHBondContact CB-O 3.36Å; T357-V379 PolarHBondContact OG1-O 3.48Å; T357-F404 HydrophobicContact CG2-CD2 3.92Å; T357-F404 HydrophobicContact CG2-CE2 3.8Å; T357-F404 HydrophobicContact CG2-CG 4.47Å; T357-F404 HydrophobicContact CG2-CZ 4.27Å
358	P	66.4	Low	64.6	Low	84 Å²	84	60.7 Å²	60.7	55%	0.545	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-70.5	-11.8	178.9	29.7	-35.6	0	0	0	112.7	F360	P358-F360 PolarHBondContact O-N 2.93Å; P358-F360 VanDerWaalsContact O-N 3.15Å
359	L	61.3	Low	62.7	Low	63 Å²	63	66.4 Å²	66.4	33%	0.33	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.4	-22.3	-178.1	-70.5	168.3	0	0	0	113.4	T357 I373 F378	T357-L359 PolarHBondContact O-N 2.85Å; T357-L359 PolarHBondContact OG1-N 2.87Å; L359-I373 HydrophobicContact CD1-CD1 4.3Å; L359-F378 HydrophobicContact CD1-CD2 3.99Å; L359-F378 HydrophobicContact CD1-CE2 3.62Å; L359-F378 HydrophobicContact CD1-CZ 4.28Å
360	F	58.5	Low	60.8	Low	26 Å²	26	66.6 Å²	66.6	11%	0.114	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-114.1	3	-172.2	-70.3	-85.4	0	0	0	115.1	F259 F263 L319 T357 P358 L362 F368 F404	F259-F360 HydrophobicContact CD1-CZ 4.45Å; F259-F360 HydrophobicContact CE1-CZ 4.07Å; F263-F360 HydrophobicContact CD1-CD1 4.36Å; F263-F360 AromaticContact CD1-CE1 3.96Å; F263-F360 HydrophobicContact CD1-CE1 3.96Å; F263-F360 AromaticContact CE1-CD1 3.49Å; F263-F360 HydrophobicContact CE1-CD1 3.49Å; F263-F360 VanDerWaalsContact CE1-CD1 3.49Å; F263-F360 AromaticContact CE1-CE1 3.37Å; F263-F360 HydrophobicContact CE1-CE1 3.37Å; F263-F360 HydrophobicContact CZ-CD1 4Å; F263-F360 AromaticContact CZ-CE1 3.8Å; F263-F360 HydrophobicContact CZ-CE1 3.8Å; L319-F360 HydrophobicContact CD1-CE2 3.62Å; L319-F360 HydrophobicContact CD1-CZ 3.73Å; T357-F360 HydrophobicContact CG2-CD2 3.6Å; T357-F360 HydrophobicContact CG2-CE2 4.15Å; P358-F360 PolarHBondContact O-N 2.93Å; P358-F360 VanDerWaalsContact O-N 3.15Å; F360-L362 VanDerWaalsContact C-N 3.26Å; F360-L362 PolarHBondContact O-N 3.12Å; F360-F368 AromaticContact CD1-CE1 3.87Å; F360-F368 HydrophobicContact CD1-CE1 3.87Å; F360-F368 AromaticContact CD1-CZ 3.65Å; F360-F368 HydrophobicContact CD1-CZ 3.65Å; F360-F368 AromaticContact CE1-CE1 3.38Å; F360-F368 HydrophobicContact CE1-CE1 3.38Å; F360-F368 AromaticContact CE1-CZ 3.41Å; F360-F368 HydrophobicContact CE1-CZ 3.41Å; F360-F368 VanDerWaalsContact CE1-CZ 3.41Å; F360-F368 AromaticContact CZ-CE1 3.86Å; F360-F368 HydrophobicContact CZ-CE1 3.86Å; F360-F368 HydrophobicContact CZ-CZ 4.33Å; F360-F404 HydrophobicContact CB-CE2 4.39Å; F360-F404 HydrophobicContact CB-CZ 3.72Å; F360-F404 HydrophobicContact CD2-CE1 4.24Å; F360-F404 AromaticContact CD2-CZ 3.91Å; F360-F404 HydrophobicContact CD2-CZ 3.91Å; F360-F404 HydrophobicContact CG-CE1 4.33Å; F360-F404 AromaticContact CG-CZ 3.86Å; F360-F404 HydrophobicContact CG-CZ 3.86Å
361	D	47.8	Very low	58.9	Low	114 Å²	114	68.1 Å²	68.1	61%	0.61	37%	0.374	S	S	*	.			trans	-90.3	20.1	177.4	-77.8	-17.8	0	0	0	113.1	R403	D361-R403 IonicContact OD1-NH2 2.98Å; D361-R403 PolarHBondContact OD1-NH2 2.93Å; D361-R403 VanDerWaalsContact OD1-NH2 3.08Å
362	L	43.2	Very low	57.4	Low	124 Å²	124	72.6 Å²	72.6	65%	0.649	39%	0.394	S	S	*	.			trans	-98.2	102.9	-177.7	-70.3	164.3	0	0	0	111.5	F360 N364	F360-L362 VanDerWaalsContact C-N 3.26Å; F360-L362 PolarHBondContact O-N 3.12Å; L362-N364 PolarHBondContact O-N 3.23Å
363	N	39.9	Very low	56	Low	176 Å²	176	73.5 Å²	73.5	94%	0.941	40%	0.398	S	S	*	.			trans	-62.1	22.1	161.6	-84.7	-17.3	0	0	0	113.9
364	N	32.2	Very low	54.8	Low	124 Å²	124	73.2 Å²	73.2	66%	0.663	40%	0.398	S	S	*	.	S	Bend	trans	-117.3	122.1	-177.3	-103.3	-12	0	0	0	111.2	L362 S366	L362-N364 PolarHBondContact O-N 3.23Å; N364-S366 PolarHBondContact O-N 3.31Å
365	S	40.5	Very low	53.7	Low	117 Å²	117	78.1 Å²	78.1	82%	0.818	42%	0.42	S	S	*	.			trans	-65	47	-177.9	56.6	0	0	0	0	115.3
366	S	32.7	Very low	52.9	Low	92 Å²	92	84.7 Å²	84.7	64%	0.643	45%	0.449	S	S	*	.			trans	-110	98	173.4	58.3	0	0	0	0	110.2	N364 F368	N364-S366 PolarHBondContact O-N 3.31Å; S366-F368 PolarHBondContact O-N 3.05Å
367	F	37.2	Very low	52	Low	146 Å²	146	87.9 Å²	87.9	64%	0.64	47%	0.47	S	S	*	.			trans	-8.9	111.2	160.1	-154	-98.7	0	0	0	113.8	H285 Q369	H285-F367 HydrophobicContact CB-CE1 4.05Å; F367-Q369 PolarHBondContact O-N 3.5Å; F367-Q369 VanDerWaalsContact O-N 3.08Å
368	F	44	Very low	52	Low	78 Å²	78	88.3 Å²	88.3	34%	0.342	47%	0.472	S	S	.	.			trans	-45.7	114.1	175.9	-79.1	-94	0	0	0	110.9	F289 F360 S366 L370	F289-F368 HydrophobicContact CE2-CB 4.37Å; F289-F368 HydrophobicContact CZ-CB 3.92Å; F360-F368 AromaticContact CD1-CE1 3.87Å; F360-F368 HydrophobicContact CD1-CE1 3.87Å; F360-F368 AromaticContact CD1-CZ 3.65Å; F360-F368 HydrophobicContact CD1-CZ 3.65Å; F360-F368 AromaticContact CE1-CE1 3.38Å; F360-F368 HydrophobicContact CE1-CE1 3.38Å; F360-F368 AromaticContact CE1-CZ 3.41Å; F360-F368 HydrophobicContact CE1-CZ 3.41Å; F360-F368 VanDerWaalsContact CE1-CZ 3.41Å; F360-F368 AromaticContact CZ-CE1 3.86Å; F360-F368 HydrophobicContact CZ-CE1 3.86Å; F360-F368 HydrophobicContact CZ-CZ 4.33Å; S366-F368 PolarHBondContact O-N 3.05Å; F368-L370 PolarHBondContact O-N 3.27Å
369	Q	49.6	Very low	52.4	Low	119 Å²	119	88.8 Å²	88.8	56%	0.556	47%	0.473	S	S	*	.			trans	-75.9	72	162.4	-76	-176.1	-24.2	0	0	108.5	F367 G371 K372	F367-Q369 PolarHBondContact O-N 3.5Å; F367-Q369 VanDerWaalsContact O-N 3.08Å; Q369-G371 PolarHBondContact O-N 3.45Å; Q369-G371 VanDerWaalsContact O-N 3.1Å; Q369-K372 HydrophobicContact CB-CB 4.27Å; Q369-K372 HydrophobicContact CB-CD 4.21Å; Q369-K372 HydrophobicContact CB-CG 4.1Å; Q369-K372 WeakPolarHBondContact O-CB 3.23Å; Q369-K372 PolarHBondContact O-N 3.39Å
370	L	48.7	Very low	53.5	Low	14 Å²	14	88.5 Å²	88.5	7%	0.073	47%	0.468	C	S	.	.	H	α-helix	trans	-50.5	-34.2	172.5	-161.8	79.6	0	0	0	110.8	L247 F259 F289 F368 K372 I373 I374	L247-L370 HydrophobicContact CD2-CD1 4.37Å; L247-L370 HydrophobicContact CD2-CD2 3.75Å; L247-L370 HydrophobicContact CD2-CG 4.08Å; F259-L370 HydrophobicContact CE1-CD1 4.43Å; F259-L370 HydrophobicContact CE2-CD1 3.8Å; F259-L370 HydrophobicContact CZ-CD1 3.52Å; F289-L370 HydrophobicContact CD2-CD2 4.11Å; F289-L370 HydrophobicContact CE1-CD1 4.34Å; F289-L370 HydrophobicContact CE2-CB 3.59Å; F289-L370 HydrophobicContact CE2-CD1 4.18Å; F289-L370 HydrophobicContact CE2-CD2 3.77Å; F289-L370 HydrophobicContact CE2-CG 4.06Å; F289-L370 HydrophobicContact CZ-CB 3.94Å; F289-L370 HydrophobicContact CZ-CD1 3.71Å; F289-L370 HydrophobicContact CZ-CD2 4.03Å; F289-L370 HydrophobicContact CZ-CG 4.11Å; F368-L370 PolarHBondContact O-N 3.27Å; L370-K372 PolarHBondContact O-N 2.96Å; L370-I373 PolarHBondContact O-N 3.04Å; L370-I374 HydrophobicContact CD2-CD1 4.24Å; L370-I374 HydrophobicContact CG-CD1 4.12Å; L370-I374 HydrophobicContact CG-CG1 4.46Å; L370-I374 VanDerWaalsContact O-CG1 3.31Å; L370-I374 WeakPolarHBondContact O-CG1 3.26Å; L370-I374 PolarHBondContact O-N 3.45Å
371	G	51.7	Low	54.6	Low	32 Å²	32	93.7 Å²	93.7	33%	0.33	49%	0.492	S	S	.	.	H	α-helix	trans	-55.1	-32.4	172.4	0	0	0	0	0	114.7	Q369 Q375	Q369-G371 PolarHBondContact O-N 3.45Å; Q369-G371 VanDerWaalsContact O-N 3.1Å; G371-Q375 WeakPolarHBondContact O-CG 3.23Å
372	K	54.9	Low	56.2	Low	126 Å²	126	93 Å²	93	55%	0.548	49%	0.488	S	S	.	.	H	α-helix	trans	-77.4	-34.4	174.3	-76.1	-174.2	175.1	161.1	0	112.8	Q369 L370 Q375 K376	Q369-K372 HydrophobicContact CB-CB 4.27Å; Q369-K372 HydrophobicContact CB-CD 4.21Å; Q369-K372 HydrophobicContact CB-CG 4.1Å; Q369-K372 WeakPolarHBondContact O-CB 3.23Å; Q369-K372 PolarHBondContact O-N 3.39Å; L370-K372 PolarHBondContact O-N 2.96Å; K372-Q375 PolarHBondContact O-N 3.48Å; K372-K376 PolarHBondContact O-N 2.97Å
373	I	58.8	Low	57.8	Low	20 Å²	20	92.5 Å²	92.5	10%	0.103	48%	0.481	C	S	.	.	H	α-helix	trans	-70.4	-41.9	179.6	-60.9	174.3	0	0	0	110.1	L257 L359 L370 Q375 K376 F378	L257-I373 HydrophobicContact CD2-CG2 3.96Å; L359-I373 HydrophobicContact CD1-CD1 4.3Å; L370-I373 PolarHBondContact O-N 3.04Å; I373-Q375 PolarHBondContact O-N 3.1Å; I373-K376 PolarHBondContact O-N 3.03Å; I373-F378 HydrophobicContact CG2-CD2 4.09Å
374	I	58.6	Low	59.5	Low	19 Å²	19	88.9 Å²	88.9	10%	0.097	46%	0.456	C	S	.	.	H	α-helix	trans	-65.6	-30.4	178.4	-61.3	162.4	0	0	0	111.7	L247 P248 K250 L370	L247-I374 HydrophobicContact CD1-CD1 4.21Å; L247-I374 HydrophobicContact CD2-CD1 3.68Å; L247-I374 HydrophobicContact CD2-CG1 3.67Å; L247-I374 HydrophobicContact CG-CD1 4.2Å; L247-I374 HydrophobicContact CG-CG1 4.21Å; P248-I374 WeakPolarHBondContact O-CG2 3.36Å; K250-I374 HydrophobicContact CB-CG2 4.1Å; K250-I374 HydrophobicContact CD-CG2 4.01Å; K250-I374 HydrophobicContact CG-CG2 3.67Å; K250-I374 PolarHBondContact N-O 3.39Å; L370-I374 HydrophobicContact CD2-CD1 4.24Å; L370-I374 HydrophobicContact CG-CD1 4.12Å; L370-I374 HydrophobicContact CG-CG1 4.46Å; L370-I374 VanDerWaalsContact O-CG1 3.31Å; L370-I374 WeakPolarHBondContact O-CG1 3.26Å; L370-I374 PolarHBondContact O-N 3.45Å
375	Q	61.9	Low	61.6	Low	135 Å²	135	87.3 Å²	87.3	63%	0.631	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.9	-177.9	-73.8	176.8	5.7	0	0	114.1	G371 K372 I373	G371-Q375 WeakPolarHBondContact O-CG 3.23Å; K372-Q375 PolarHBondContact O-N 3.48Å; I373-Q375 PolarHBondContact O-N 3.1Å
376	K	66.2	Low	63.1	Low	139 Å²	139	84.2 Å²	84.2	60%	0.604	42%	0.419	S	S	*	.	S	Bend	trans	-128.4	153.3	-176.4	-68.6	-172.2	178.4	-172.3	0	110.7	I249 K372 I373 F378	I249-K376 WeakPolarHBondContact CG2-O 3.31Å; K372-K376 PolarHBondContact O-N 2.97Å; I373-K376 PolarHBondContact O-N 3.03Å; K376-F378 PolarHBondContact O-N 3.21Å
377	P	63.6	Low	65.2	Low	94 Å²	94	81.2 Å²	81.2	61%	0.61	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-60.3	138	172	24.1	-32	0	0	0	110.6
378	F	74.1	Confident	67.1	Low	13 Å²	13	77.2 Å²	77.2	6%	0.057	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-66.9	131.1	-179.3	-170.8	-101.4	0	0	0	110.8	I249 L257 Y317 L319 I355 T357 L359 I373 K376 Y380	I249-F378 HydrophobicContact CD1-CB 4.11Å; L257-F378 HydrophobicContact CD1-CD2 4.36Å; L257-F378 HydrophobicContact CD1-CE2 4.15Å; Y317-F378 AromaticContact CD1-CD1 3.62Å; Y317-F378 HydrophobicContact CD1-CD1 3.62Å; Y317-F378 AromaticContact CD1-CE1 3.85Å; Y317-F378 HydrophobicContact CD1-CE1 3.85Å; Y317-F378 HydrophobicContact CD1-CG 4.42Å; Y317-F378 HydrophobicContact CD2-CD1 4.49Å; Y317-F378 HydrophobicContact CE1-CB 4.45Å; Y317-F378 AromaticContact CE1-CD1 3.5Å; Y317-F378 HydrophobicContact CE1-CD1 3.5Å; Y317-F378 VanDerWaalsContact CE1-CD1 3.5Å; Y317-F378 HydrophobicContact CE1-CE1 4.13Å; Y317-F378 HydrophobicContact CE1-CG 4.3Å; Y317-F378 HydrophobicContact CE2-CB 4.02Å; Y317-F378 HydrophobicContact CE2-CD1 4.4Å; Y317-F378 HydrophobicContact CE2-CG 4.43Å; Y317-F378 HydrophobicContact CG-CD1 4.11Å; Y317-F378 HydrophobicContact CG-CE1 4.39Å; Y317-F378 AromaticContact CZ-CD1 3.91Å; L319-F378 HydrophobicContact CD1-CE2 4.2Å; L319-F378 HydrophobicContact CD1-CZ 4.1Å; L319-F378 HydrophobicContact CD2-CZ 4.08Å; I355-F378 HydrophobicContact CD1-CE1 4.07Å; T357-F378 HydrophobicContact CG2-CE1 4.32Å; T357-F378 HydrophobicContact CG2-CZ 3.83Å; L359-F378 HydrophobicContact CD1-CD2 3.99Å; L359-F378 HydrophobicContact CD1-CE2 3.62Å; L359-F378 HydrophobicContact CD1-CZ 4.28Å; I373-F378 HydrophobicContact CG2-CD2 4.09Å; K376-F378 PolarHBondContact O-N 3.21Å; F378-Y380 AromaticContact CD1-CD1 3.97Å; F378-Y380 HydrophobicContact CD1-CD1 3.97Å; F378-Y380 HydrophobicContact CD1-CG 4.44Å; F378-Y380 WeakPolarHBondContact O-CD1 3.31Å
379	V	76.1	Confident	69	Low	93 Å²	93	74.1 Å²	74.1	56%	0.564	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-96.5	124.5	-178.7	-178.2	0	0	0	0	109.6	T357	T357-V379 WeakPolarHBondContact CB-O 3.36Å; T357-V379 PolarHBondContact OG1-O 3.48Å
380	Y	84.1	Confident	70.5	Confident	58 Å²	58	68.8 Å²	68.8	23%	0.227	34%	0.341	C	S	.	.			trans	-151.6	161.2	-176.8	65.5	-83.9	0	0	0	112.3	K315 Y317 I355 T356 F378 L382 M406	K315-Y380 WeakPolarHBondContact CE-OH 3.1Å; K315-Y380 PolarHBondContact NZ-OH 3.37Å; Y317-Y380 AromaticContact CE1-CD1 3.79Å; Y317-Y380 HydrophobicContact CE1-CD1 3.79Å; Y317-Y380 AromaticContact CE1-CE1 3.94Å; Y317-Y380 HydrophobicContact CE1-CE1 3.94Å; Y317-Y380 HydrophobicContact CE1-CG 4.32Å; Y317-Y380 WeakPolarHBondContact OH-CE1 3.37Å; I355-Y380 HydrophobicContact CB-CD2 4.33Å; I355-Y380 HydrophobicContact CD1-CG 4.4Å; I355-Y380 HydrophobicContact CG2-CD2 3.85Å; I355-Y380 HydrophobicContact CG2-CE2 4.46Å; T356-Y380 CarbonylContact O-C 3.5Å; T356-Y380 WeakPolarHBondContact O-CA 3.37Å; T356-Y380 WeakPolarHBondContact O-CB 3.28Å; F378-Y380 AromaticContact CD1-CD1 3.97Å; F378-Y380 HydrophobicContact CD1-CD1 3.97Å; F378-Y380 HydrophobicContact CD1-CG 4.44Å; F378-Y380 WeakPolarHBondContact O-CD1 3.31Å; Y380-L382 HydrophobicContact CE2-CD2 4.2Å; Y380-L382 HydrophobicContact CE2-CG 4.07Å; Y380-M406 HydrophobicContact CD2-SD 4.3Å; Y380-M406 HydrophobicContact CE1-SD 4.24Å; Y380-M406 HydrophobicContact CE2-CE 3.82Å; Y380-M406 HydrophobicContact CE2-SD 3.68Å
381	E	80.8	Confident	72	Confident	135 Å²	135	68.6 Å²	68.6	63%	0.631	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.9	170.4	-68.3	178.5	170.6	0	0	109.6	I355 T356	I355-E381 CarbonylContact C-O 3.59Å; I355-E381 WeakPolarHBondContact CA-O 3.47Å; I355-E381 WeakPolarHBondContact CB-O 3.47Å; T356-E381 PolarHBondContact N-O 2.9Å; T356-E381 PolarHBondContact O-N 2.76Å
382	L	81.2	Confident	73.2	Confident	99 Å²	99	72.4 Å²	72.4	52%	0.518	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.3	174.8	-75	166	0	0	0	110.1	H353 I355 Y380 M406	H353-L382 HydrophobicContact CB-CD2 3.56Å; I355-L382 HydrophobicContact CG2-CD2 4.09Å; Y380-L382 HydrophobicContact CE2-CD2 4.2Å; Y380-L382 HydrophobicContact CE2-CG 4.07Å; L382-M406 HydrophobicContact CD2-CE 3.62Å
383	K	77.1	Confident	74.1	Confident	114 Å²	114	67.5 Å²	67.5	50%	0.496	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-96.2	168.9	-69.3	-175.2	168.3	176	0	110.3	E354 T356 H402	E354-K383 HydrophobicContact CB-CB 4.23Å; E354-K383 WeakPolarHBondContact O-CB 3.42Å; E354-K383 PolarHBondContact O-N 2.86Å; T356-K383 HydrophobicContact CG2-CD 4.15Å; T356-K383 WeakPolarHBondContact OG1-CE 3.3Å; K383-H402 PolarHBondContact NZ-CE1 3.38Å; K383-H402 PolarHBondContact NZ-NE2 3.33Å
384	K	76.5	Confident	74.7	Confident	99 Å²	99	73.5 Å²	73.5	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.4	-168.1	-178.7	-178.3	177.2	-175.7	0	109.8	H353 E354	H353-K384 CarbonylContact C-O 3.52Å; H353-K384 VanDerWaalsContact CA-O 3.31Å; H353-K384 WeakPolarHBondContact CA-O 3.2Å; E354-K384 HydrophobicContact CB-CB 4.46Å; E354-K384 PolarHBondContact N-O 2.64Å
385	Q	75.5	Confident	75.6	Confident	91 Å²	91	75.8 Å²	75.8	43%	0.425	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.5	168.2	-166.4	168.9	-26.8	0	0	109.8	H351 F352 H353	H351-Q385 PolarHBondContact ND1-NE2 3Å; F352-Q385 CarbonylContact O-C 3.57Å; F352-Q385 WeakPolarHBondContact O-CA 3.46Å; F352-Q385 WeakPolarHBondContact O-CG 3.31Å; H353-Q385 WeakPolarHBondContact NE2-CG 3.39Å; H353-Q385 PolarHBondContact NE2-OE1 2.89Å
386	L	71.9	Confident	76	Confident	52 Å²	52	69.8 Å²	69.8	27%	0.272	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-44.7	179.6	-63.4	178.1	0	0	0	111.4	F352 E354 I398 I405	F352-L386 HydrophobicContact CB-CB 4.03Å; F352-L386 PolarHBondContact O-N 3.01Å; E354-L386 HydrophobicContact CG-CD1 3.9Å; E354-L386 HydrophobicContact CG-CD2 3.94Å; E354-L386 HydrophobicContact CG-CG 3.98Å; L386-I398 HydrophobicContact CD1-CG2 4.04Å; L386-I405 HydrophobicContact CD1-CD1 4.16Å; L386-I405 HydrophobicContact CD1-CG1 4.33Å
387	L	76.4	Confident	76.6	Confident	29 Å²	29	64.5 Å²	64.5	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153	-174.9	-170.1	64	0	0	0	111.3	F352 L389 T396 I398 I479	F352-L387 HydrophobicContact CB-CB 4.15Å; F352-L387 HydrophobicContact CD2-CB 4.04Å; F352-L387 HydrophobicContact CD2-CD2 4.33Å; F352-L387 HydrophobicContact CG-CB 4.44Å; F352-L387 PolarHBondContact N-O 3.43Å; L387-L389 HydrophobicContact CD1-CD2 4.35Å; L387-L389 HydrophobicContact CD2-CD1 4.03Å; L387-L389 HydrophobicContact CD2-CD2 3.74Å; L387-L389 HydrophobicContact CD2-CG 3.85Å; L387-L389 HydrophobicContact CG-CD2 3.99Å; L387-L389 HydrophobicContact CG-CG 4.07Å; L387-T396 HydrophobicContact CD2-CG2 4.26Å; L387-I398 HydrophobicContact CB-CD1 4.5Å; L387-I398 HydrophobicContact CB-CG1 4.41Å; L387-I398 HydrophobicContact CD2-CD1 3.65Å; L387-I398 HydrophobicContact CD2-CG1 3.71Å; L387-I479 HydrophobicContact CD1-CD1 4.06Å
388	F	77.5	Confident	77.1	Confident	63 Å²	63	60.5 Å²	60.5	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.1	170.3	171.4	-99	0	0	0	107.8	T349 I350 H351 C390	T349-F388 HydrophobicContact CG2-CE2 3.52Å; T349-F388 HydrophobicContact CG2-CZ 3.62Å; I350-F388 WeakPolarHBondContact O-CA 3.39Å; H351-F388 AromaticContact CE1-CD2 3.33Å; H351-F388 WeakPolarHBondContact CE1-CD2 3.2Å; H351-F388 AromaticContact CE1-CE2 3.53Å; H351-F388 AromaticContact ND1-CD2 3.68Å; H351-F388 AromaticContact NE2-CD2 3.72Å; H351-F388 AromaticContact NE2-CE2 3.61Å; F388-C390 HydrophobicContact CE1-CB 3.77Å; F388-C390 HydrophobicContact CZ-CB 3.71Å
389	L	83.1	Confident	77.1	Confident	12 Å²	12	62 Å²	62	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.5	174.9	-55	168.8	0	0	0	109.8	L330 T349 I350 F352 L387 E393 T396	L330-L389 HydrophobicContact CD1-CD1 3.81Å; T349-L389 WeakPolarHBondContact CA-O 3.42Å; I350-L389 HydrophobicContact CB-CB 4.17Å; I350-L389 PolarHBondContact N-O 2.95Å; I350-L389 PolarHBondContact O-N 2.67Å; F352-L389 HydrophobicContact CE2-CD1 4.31Å; L387-L389 HydrophobicContact CD1-CD2 4.35Å; L387-L389 HydrophobicContact CD2-CD1 4.03Å; L387-L389 HydrophobicContact CD2-CD2 3.74Å; L387-L389 HydrophobicContact CD2-CG 3.85Å; L387-L389 HydrophobicContact CG-CD2 3.99Å; L387-L389 HydrophobicContact CG-CG 4.07Å; L389-E393 HydrophobicContact CD2-CG 4.42Å; L389-T396 HydrophobicContact CD1-CG2 3.53Å
390	C	81.7	Confident	77	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.047	28%	0.28	C	S	.	.			trans	-161.1	148	177	97	0	0	0	0	108.7	C341 T349 F388	C341-C390 HydrophobicContact CB-CB 4.26Å; C341-C390 WeakPolarHBondContact CB-SG 3.38Å; C341-C390 WeakPolarHBondContact SG-CA 3.29Å; C341-C390 WeakPolarHBondContact SG-CB 3.32Å; C341-C390 CovalentContact SG-SG 2.01Å; C341-C390 PolarHBondContact SG-SG 3.03Å; T349-C390 HydrophobicContact CG2-CB 4.15Å; F388-C390 HydrophobicContact CE1-CB 3.77Å; F388-C390 HydrophobicContact CZ-CB 3.71Å
391	G	80.6	Confident	76.4	Confident	10 Å²	10	57.4 Å²	57.4	10%	0.103	28%	0.282	C	S	.	.	S	Bend	trans	78.4	-143.5	-173.3	0	0	0	0	0	112.1	L335 C341	L335-G391 WeakPolarHBondContact CB-O 3.34Å; L335-G391 PolarHBondContact N-O 3.31Å; C341-G391 PolarHBondContact SG-N 2.74Å
392	D	76.6	Confident	76	Confident	113 Å²	113	52.9 Å²	52.9	60%	0.604	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.7	-174.3	-50.8	-48.3	0	0	0	110.7	V333 Q334	V333-D392 CarbonylContact O-C 3.55Å; V333-D392 VanDerWaalsContact O-CA 3.26Å; V333-D392 WeakPolarHBondContact O-CA 3.25Å; Q334-D392 WeakPolarHBondContact CA-OD1 3.07Å; Q334-D392 WeakPolarHBondContact CG-OD1 3.28Å
393	E	74.8	Confident	75.8	Confident	22 Å²	22	52 Å²	52	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.2	176.8	-71.6	-69.4	174.9	0	0	109.8	V333 L389	V333-E393 WeakPolarHBondContact CA-O 3.41Å; V333-E393 HydrophobicContact CB-CB 4.02Å; V333-E393 WeakPolarHBondContact CB-O 3.47Å; V333-E393 HydrophobicContact CG2-CB 4.48Å; V333-E393 PolarHBondContact N-O 3.27Å; V333-E393 PolarHBondContact O-N 3.26Å; L389-E393 HydrophobicContact CD2-CG 4.42Å
394	E	71.1	Confident	76.3	Confident	146 Å²	146	46.6 Å²	46.6	68%	0.682	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	-51.5	-178	-70.9	-170.6	169	0	0	111.5	K331 N332	K331-E394 CarbonylContact C-O 3.5Å; K331-E394 WeakPolarHBondContact CA-O 3.4Å; N332-E394 PolarHBondContact N-O 2.7Å
395	Q	76.2	Confident	76.9	Confident	67 Å²	67	41.9 Å²	41.9	31%	0.313	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.7	-179.2	-58.3	-167.5	-2.5	0	0	111.8	K329 L330 K331	K329-Q395 VanDerWaalsContact CE-OE1 3.26Å; L330-Q395 CarbonylContact O-C 3.54Å; L330-Q395 VanDerWaalsContact O-CA 3.29Å; L330-Q395 WeakPolarHBondContact O-CA 3.34Å; K331-Q395 HydrophobicContact CG-CG 4.04Å
396	T	70.5	Confident	77.7	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.6	170.5	-162.3	0	0	0	0	111	K329 L330 L387 L389 I398	K329-T396 CarbonylContact C-O 3.58Å; K329-T396 VanDerWaalsContact CA-O 3.29Å; K329-T396 WeakPolarHBondContact CA-O 3.44Å; L330-T396 HydrophobicContact CB-CG2 3.7Å; L330-T396 HydrophobicContact CD1-CG2 4.04Å; L330-T396 HydrophobicContact CG-CG2 3.99Å; L330-T396 PolarHBondContact N-O 2.82Å; L330-T396 PolarHBondContact O-N 2.85Å; L387-T396 HydrophobicContact CD2-CG2 4.26Å; L389-T396 HydrophobicContact CD1-CG2 3.53Å; T396-I398 HydrophobicContact CG2-CD1 4.5Å
397	V	79	Confident	78.8	Confident	28 Å²	28	35.3 Å²	35.3	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.3	179.5	-178.4	0	0	0	0	109.1	I327 I328 K329 I399	I327-V397 HydrophobicContact CG2-CG1 4.31Å; I328-V397 CarbonylContact O-C 3.56Å; I328-V397 WeakPolarHBondContact O-CA 3.44Å; K329-V397 HydrophobicContact CB-CG2 4.19Å; K329-V397 HydrophobicContact CD-CG2 3.97Å; K329-V397 HydrophobicContact CG-CG2 3.87Å; V397-I399 HydrophobicContact CG1-CG1 4.29Å
398	I	73.5	Confident	79.5	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126	-179.7	-62.5	139.2	0	0	0	107.7	I327 I328 F352 L386 L387 T396	I327-I398 CarbonylContact C-O 3.25Å; I327-I398 WeakPolarHBondContact CA-O 3.19Å; I328-I398 PolarHBondContact N-O 2.86Å; I328-I398 PolarHBondContact O-N 2.74Å; F352-I398 HydrophobicContact CD1-CD1 3.59Å; F352-I398 HydrophobicContact CD1-CG2 4.42Å; F352-I398 HydrophobicContact CD2-CD1 3.37Å; F352-I398 HydrophobicContact CE1-CD1 3.36Å; F352-I398 HydrophobicContact CE2-CD1 3.13Å; F352-I398 HydrophobicContact CG-CD1 3.56Å; F352-I398 HydrophobicContact CG-CG1 4.5Å; F352-I398 HydrophobicContact CZ-CD1 3.1Å; L386-I398 HydrophobicContact CD1-CG2 4.04Å; L387-I398 HydrophobicContact CB-CD1 4.5Å; L387-I398 HydrophobicContact CB-CG1 4.41Å; L387-I398 HydrophobicContact CD2-CD1 3.65Å; L387-I398 HydrophobicContact CD2-CG1 3.71Å; T396-I398 HydrophobicContact CG2-CD1 4.5Å
399	I	74.1	Confident	80.4	Confident	44 Å²	44	31.5 Å²	31.5	23%	0.226	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128	174.2	-57.3	-174.5	0	0	0	106.8	I326 I327 V397 H446	I326-I399 WeakPolarHBondContact O-CA 3.45Å; I327-I399 HydrophobicContact CD1-CD1 3.98Å; I327-I399 HydrophobicContact CD1-CG1 4.17Å; I327-I399 HydrophobicContact CG1-CD1 4.4Å; I327-I399 HydrophobicContact CG1-CG1 4.05Å; I327-I399 HydrophobicContact CG1-CG2 4.28Å; I327-I399 HydrophobicContact CG2-CG1 4.22Å; V397-I399 HydrophobicContact CG1-CG1 4.29Å; I399-H446 WeakPolarHBondContact CD1-CE1 3.49Å
400	S	73.7	Confident	80.7	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.4	168.5	152.7	0	0	0	0	112.2	I326 E354 H402 I405	I326-S400 PolarHBondContact N-O 3.39Å; I326-S400 PolarHBondContact O-N 2.82Å; E354-S400 PolarHBondContact OE1-OG 2.98Å; S400-H402 PolarHBondContact O-N 3.24Å; S400-H402 VanDerWaalsContact OG-CB 3.29Å; S400-H402 WeakPolarHBondContact OG-CB 3.46Å; S400-H402 PolarHBondContact OG-N 3.21Å; S400-I405 VanDerWaalsContact CB-CD1 3.45Å
401	D	71.8	Confident	81.2	Confident	50 Å²	50	36 Å²	36	27%	0.267	18%	0.178	S	C	.	.			trans	-75	-3.8	172.2	-72	-63	0	0	0	111.9	R325 R430	R325-D401 WeakPolarHBondContact CD-OD1 3.45Å; R325-D401 IonicContact CZ-OD1 2.6Å; R325-D401 IonicContact NE-OD1 3.69Å; R325-D401 PolarHBondContact NE-OD1 3.14Å; R325-D401 IonicContact NH2-OD1 2.85Å; R325-D401 PolarHBondContact NH2-OD1 2.82Å; D401-R430 PolarHBondContact O-NH2 3.36Å
402	H	74	Confident	81.5	Confident	40 Å²	40	37.8 Å²	37.8	19%	0.185	18%	0.184	C	C	.	.	S	Bend	trans	-75.1	146.6	179.2	-149.3	48.2	0	0	0	111.5	E354 I355 K383 S400 F404	E354-H402 HydrophobicContact CB-CB 4.26Å; E354-H402 HydrophobicContact CG-CB 3.72Å; I355-H402 PolarHBondContact O-CD2 3.38Å; I355-H402 PolarHBondContact O-NE2 2.7Å; K383-H402 PolarHBondContact NZ-CE1 3.38Å; K383-H402 PolarHBondContact NZ-NE2 3.33Å; S400-H402 PolarHBondContact O-N 3.24Å; S400-H402 VanDerWaalsContact OG-CB 3.29Å; S400-H402 WeakPolarHBondContact OG-CB 3.46Å; S400-H402 PolarHBondContact OG-N 3.21Å; H402-F404 PolarHBondContact CD2-O 3.5Å; H402-F404 PolarHBondContact O-N 3.04Å
403	R	76.7	Confident	82.1	Confident	79 Å²	79	37.2 Å²	37.2	30%	0.298	18%	0.184	S	C	.	.	S	Bend	trans	-62.4	-32.3	178.7	-65.4	-163.9	-64.2	-179.4	-1.4	112.1	A320 I326 D361	A320-R403 WeakPolarHBondContact CA-O 3.49Å; A320-R403 WeakPolarHBondContact CB-O 3.42Å; A320-R403 PolarHBondContact N-O 3.2Å; I326-R403 WeakPolarHBondContact CD1-O 3.25Å; D361-R403 IonicContact OD1-NH2 2.98Å; D361-R403 PolarHBondContact OD1-NH2 2.93Å; D361-R403 VanDerWaalsContact OD1-NH2 3.08Å
404	F	86.7	Confident	82.4	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.9	-171.8	-45	-50.5	0	0	0	111.4	F318 L319 I355 T357 F360 H402	F318-F404 WeakPolarHBondContact O-CA 3.46Å; L319-F404 HydrophobicContact CB-CD1 4.01Å; L319-F404 HydrophobicContact CB-CE1 4.26Å; L319-F404 HydrophobicContact CD2-CB 3.91Å; L319-F404 HydrophobicContact CD2-CD1 3.3Å; L319-F404 HydrophobicContact CD2-CE1 3.99Å; L319-F404 HydrophobicContact CD2-CG 3.76Å; L319-F404 HydrophobicContact CG-CD1 4.24Å; I355-F404 HydrophobicContact CD1-CB 4.31Å; I355-F404 HydrophobicContact CG1-CB 3.68Å; I355-F404 PolarHBondContact N-O 3.27Å; I355-F404 WeakPolarHBondContact O-CB 3.16Å; T357-F404 HydrophobicContact CG2-CD2 3.92Å; T357-F404 HydrophobicContact CG2-CE2 3.8Å; T357-F404 HydrophobicContact CG2-CG 4.47Å; T357-F404 HydrophobicContact CG2-CZ 4.27Å; F360-F404 HydrophobicContact CB-CE2 4.39Å; F360-F404 HydrophobicContact CB-CZ 3.72Å; F360-F404 HydrophobicContact CD2-CE1 4.24Å; F360-F404 AromaticContact CD2-CZ 3.91Å; F360-F404 HydrophobicContact CD2-CZ 3.91Å; F360-F404 HydrophobicContact CG-CE1 4.33Å; F360-F404 AromaticContact CG-CZ 3.86Å; F360-F404 HydrophobicContact CG-CZ 3.86Å; H402-F404 PolarHBondContact CD2-O 3.5Å; H402-F404 PolarHBondContact O-N 3.04Å
405	I	89.2	Confident	82.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.6	175.2	-64.4	171.3	0	0	0	108.8	F318 I326 I328 F352 H353 L386 S400	F318-I405 PolarHBondContact N-O 2.94Å; F318-I405 PolarHBondContact O-N 2.85Å; I326-I405 HydrophobicContact CB-CD1 3.62Å; I326-I405 HydrophobicContact CB-CG1 4.48Å; I326-I405 HydrophobicContact CD1-CB 4.11Å; I326-I405 HydrophobicContact CD1-CD1 3.92Å; I326-I405 HydrophobicContact CD1-CG1 3.83Å; I326-I405 HydrophobicContact CG1-CD1 4.33Å; I326-I405 HydrophobicContact CG2-CD1 3.74Å; I328-I405 HydrophobicContact CD1-CG2 4.01Å; F352-I405 HydrophobicContact CD1-CG2 4.16Å; H353-I405 CarbonylContact O-C 3.53Å; H353-I405 WeakPolarHBondContact O-CA 3.33Å; L386-I405 HydrophobicContact CD1-CD1 4.16Å; L386-I405 HydrophobicContact CD1-CG1 4.33Å; S400-I405 VanDerWaalsContact CB-CD1 3.45Å
406	M	91.7	Very high	82.8	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.1	172.1	-175.4	-172.9	62.2	0	0	109.7	K315 Y316 Y317 F352 H353 I355 Y380 L382 T408	K315-M406 HydrophobicContact CB-CG 4.4Å; K315-M406 HydrophobicContact CB-SD 4.34Å; K315-M406 HydrophobicContact CD-SD 3.97Å; K315-M406 HydrophobicContact CG-SD 4.23Å; Y316-M406 CarbonylContact O-C 3.41Å; Y316-M406 VanDerWaalsContact O-CA 3.32Å; Y316-M406 WeakPolarHBondContact O-CA 3.45Å; Y317-M406 HydrophobicContact CD1-CB 4.23Å; Y317-M406 HydrophobicContact CD1-CG 3.87Å; Y317-M406 HydrophobicContact CD1-SD 4.24Å; Y317-M406 HydrophobicContact CE1-CB 4.45Å; Y317-M406 HydrophobicContact CE1-CG 3.77Å; Y317-M406 HydrophobicContact CE1-SD 3.53Å; Y317-M406 VanDerWaalsContact CE1-SD 3.53Å; F352-M406 WeakPolarHBondContact CA-O 3.25Å; H353-M406 HydrophobicContact CB-CE 4.32Å; H353-M406 PolarHBondContact N-O 2.89Å; H353-M406 PolarHBondContact O-N 2.84Å; I355-M406 HydrophobicContact CD1-CB 4.08Å; I355-M406 HydrophobicContact CG1-CB 4.33Å; I355-M406 HydrophobicContact CG2-CB 3.77Å; I355-M406 HydrophobicContact CG2-CE 4.29Å; Y380-M406 HydrophobicContact CD2-SD 4.3Å; Y380-M406 HydrophobicContact CE1-SD 4.24Å; Y380-M406 HydrophobicContact CE2-CE 3.82Å; Y380-M406 HydrophobicContact CE2-SD 3.68Å; L382-M406 HydrophobicContact CD2-CE 3.62Å; M406-T408 VanDerWaalsContact CE-OG1 3.27Å; M406-T408 WeakPolarHBondContact CE-OG1 3.49Å
407	L	95.1	Very high	83	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.6	163.9	-177.9	175.8	0	0	0	107.9	F299 K315 Y316 F318 L330 I350 H351 F352 F421	F299-L407 HydrophobicContact CE2-CD1 3.68Å; F299-L407 HydrophobicContact CZ-CD1 3.93Å; K315-L407 CarbonylContact C-O 3.49Å; K315-L407 WeakPolarHBondContact CA-O 3.39Å; Y316-L407 HydrophobicContact CD2-CD2 3.77Å; Y316-L407 HydrophobicContact CE2-CD2 4.23Å; Y316-L407 PolarHBondContact N-O 2.73Å; Y316-L407 PolarHBondContact O-N 3.3Å; F318-L407 HydrophobicContact CE2-CB 4.31Å; L330-L407 HydrophobicContact CD1-CD1 4.32Å; L330-L407 HydrophobicContact CD2-CD1 4.03Å; I350-L407 HydrophobicContact CG2-CD1 4.36Å; I350-L407 HydrophobicContact CG2-CD2 3.7Å; I350-L407 HydrophobicContact CG2-CG 3.74Å; H351-L407 CarbonylContact O-C 3.59Å; H351-L407 VanDerWaalsContact O-CA 3.31Å; H351-L407 WeakPolarHBondContact O-CA 3.5Å; F352-L407 HydrophobicContact CD1-CB 4.02Å; F352-L407 HydrophobicContact CD1-CG 4.29Å; F352-L407 HydrophobicContact CE1-CB 3.73Å; F352-L407 HydrophobicContact CE1-CD1 3.58Å; F352-L407 HydrophobicContact CE1-CG 3.74Å; F352-L407 HydrophobicContact CE2-CD1 4.08Å; F352-L407 HydrophobicContact CE2-CG 4.03Å; F352-L407 HydrophobicContact CZ-CB 4.16Å; F352-L407 HydrophobicContact CZ-CD1 3.29Å; F352-L407 HydrophobicContact CZ-CG 3.61Å; L407-F421 HydrophobicContact CD1-CE2 4.44Å; L407-F421 HydrophobicContact CD1-CZ 4.42Å; L407-F421 HydrophobicContact CD2-CE1 4.47Å; L407-F421 HydrophobicContact CD2-CZ 4Å
408	T	92.6	Very high	83.2	Confident	12 Å²	12	35 Å²	35	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.9	175.3	-57.2	0	0	0	0	110.3	L313 C314 K315 I350 H351 M406	L313-T408 HydrophobicContact CD1-CG2 3.49Å; L313-T408 VanDerWaalsContact CD1-CG2 3.49Å; L313-T408 HydrophobicContact CG-CG2 4.34Å; C314-T408 CarbonylContact O-C 3.54Å; C314-T408 WeakPolarHBondContact O-CA 3.32Å; K315-T408 HydrophobicContact CG-CG2 4.18Å; I350-T408 CarbonylContact C-O 3.51Å; I350-T408 VanDerWaalsContact CA-O 3.29Å; I350-T408 WeakPolarHBondContact CA-O 3.47Å; H351-T408 PolarHBondContact N-O 3.36Å; H351-T408 PolarHBondContact O-N 2.84Å; M406-T408 VanDerWaalsContact CE-OG1 3.27Å; M406-T408 WeakPolarHBondContact CE-OG1 3.49Å
409	L	94.9	Very high	83.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.8	165.3	173.6	65.4	0	0	0	108.5	P302 Y308 L313 C314 L335 T349 I350 T411 F421	P302-L409 HydrophobicContact CG-CD2 4.4Å; Y308-L409 HydrophobicContact CD1-CD2 4.48Å; L313-L409 CarbonylContact C-O 3.57Å; L313-L409 WeakPolarHBondContact CA-O 3.15Å; C314-L409 HydrophobicContact CB-CB 4.34Å; C314-L409 PolarHBondContact N-O 3.1Å; C314-L409 PolarHBondContact O-N 2.88Å; L335-L409 HydrophobicContact CD2-CD1 3.73Å; T349-L409 WeakPolarHBondContact O-CA 3.15Å; I350-L409 HydrophobicContact CG1-CD1 3.97Å; L409-T411 HydrophobicContact CD1-CG2 4.25Å; L409-T411 HydrophobicContact CD2-CG2 4.33Å; L409-T411 HydrophobicContact CG-CG2 4.04Å; L409-F421 HydrophobicContact CB-CE1 4.24Å; L409-F421 HydrophobicContact CD1-CE1 4.29Å; L409-F421 HydrophobicContact CD2-CE1 4.08Å; L409-F421 HydrophobicContact CG-CE1 4.43Å
410	Q	91	Very high	84.6	Confident	103 Å²	103	34.8 Å²	34.8	48%	0.481	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.7	177.3	-179.2	172.9	-14.2	0	0	109.2	L313 D348 T349	L313-Q410 HydrophobicContact CD1-CB 3.8Å; L313-Q410 HydrophobicContact CD1-CG 3.98Å; D348-Q410 VanDerWaalsContact CA-O 3.31Å; D348-Q410 WeakPolarHBondContact CA-O 3.08Å; T349-Q410 PolarHBondContact N-O 3.22Å; T349-Q410 PolarHBondContact O-N 2.91Å
411	T	91	Very high	85.6	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	18%	0.179	C	C	.	.			trans	-108.4	136	-179.6	79.7	0	0	0	0	110.9	Y308 K309 S311 M312 D348 L409	Y308-T411 HydrophobicContact CD2-CG2 3.53Å; Y308-T411 HydrophobicContact CE2-CG2 3.39Å; Y308-T411 HydrophobicContact CG-CG2 4.45Å; K309-T411 PolarHBondContact O-OG1 2.91Å; S311-T411 PolarHBondContact N-OG1 2.88Å; S311-T411 VanDerWaalsContact N-OG1 3.14Å; M312-T411 WeakPolarHBondContact CA-OG1 3.06Å; M312-T411 HydrophobicContact CB-CG2 4.26Å; M312-T411 WeakPolarHBondContact CB-OG1 3.25Å; M312-T411 PolarHBondContact N-OG1 3.05Å; M312-T411 PolarHBondContact O-N 3.33Å; M312-T411 PolarHBondContact O-OG1 3.41Å; D348-T411 VanDerWaalsContact OD1-CA 3.27Å; D348-T411 WeakPolarHBondContact OD1-CA 3.43Å; L409-T411 HydrophobicContact CD1-CG2 4.25Å; L409-T411 HydrophobicContact CD2-CG2 4.33Å; L409-T411 HydrophobicContact CG-CG2 4.04Å
412	H	87.9	Confident	86.6	Confident	49 Å²	49	33.5 Å²	33.5	23%	0.227	17%	0.173	C	C	.	.			trans	-70.6	158.7	-177.3	-166.1	-98.8	0	0	0	111.3	S311 W336 D348 D414 S415	S311-H412 PolarHBondContact N-O 2.93Å; W336-H412 HydrophobicContact CE3-CB 4.41Å; W336-H412 HydrophobicContact CZ3-CB 3.99Å; D348-H412 PolarHBondContact OD1-N 3.04Å; H412-D414 VanDerWaalsContact C-N 3.34Å; H412-D414 IonicContact CE1-OD2 3.05Å; H412-D414 PolarHBondContact CE1-OD2 3.01Å; H412-D414 PolarHBondContact ND1-N 3.05Å; H412-D414 VanDerWaalsContact ND1-N 3.13Å; H412-D414 IonicContact ND1-OD2 3.49Å; H412-S415 VanDerWaalsContact O-CB 3.26Å; H412-S415 WeakPolarHBondContact O-CB 3.35Å; H412-S415 PolarHBondContact O-N 2.92Å
413	V	87.8	Confident	87.6	Confident	100 Å²	100	31.6 Å²	31.6	61%	0.606	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-41.1	179.4	179.6	0	0	0	0	111.7	S311 S415	S311-V413 VanDerWaalsContact OG-CA 3.29Å; S311-V413 WeakPolarHBondContact OG-CA 3.07Å; V413-S415 PolarHBondContact O-N 2.98Å
414	D	82.2	Confident	88.2	Confident	91 Å²	91	28 Å²	28	49%	0.487	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4	178.1	-52.7	-36	0	0	0	113.6	W336 H412 V416	W336-D414 HydrophobicContact CH2-CB 4.03Å; W336-D414 WeakPolarHBondContact CH2-O 3.2Å; W336-D414 WeakPolarHBondContact CZ2-O 3.22Å; H412-D414 VanDerWaalsContact C-N 3.34Å; H412-D414 IonicContact CE1-OD2 3.05Å; H412-D414 PolarHBondContact CE1-OD2 3.01Å; H412-D414 PolarHBondContact ND1-N 3.05Å; H412-D414 VanDerWaalsContact ND1-N 3.13Å; H412-D414 IonicContact ND1-OD2 3.49Å; D414-V416 PolarHBondContact O-N 2.93Å
415	S	81.9	Confident	88.3	Confident	8 Å²	8	28 Å²	28	6%	0.056	15%	0.151	C	C	.	.			trans	-63.5	131.5	178.9	178.9	0	0	0	0	110.2	A310 W336 D348 H412 V413 G417	A310-S415 WeakPolarHBondContact CB-O 3.4Å; W336-S415 VanDerWaalsContact CE3-CA 3.48Å; D348-S415 WeakPolarHBondContact OD1-CB 3.17Å; D348-S415 PolarHBondContact OD1-OG 3.39Å; D348-S415 PolarHBondContact OD2-OG 2.92Å; H412-S415 VanDerWaalsContact O-CB 3.26Å; H412-S415 WeakPolarHBondContact O-CB 3.35Å; H412-S415 PolarHBondContact O-N 2.92Å; V413-S415 PolarHBondContact O-N 2.98Å; S415-G417 PolarHBondContact O-N 2.82Å; S415-G417 PolarHBondContact OG-N 2.84Å; S415-G417 VanDerWaalsContact OG-N 3.13Å
416	V	73.9	Confident	88	Confident	118 Å²	118	29.6 Å²	29.6	72%	0.715	16%	0.158	S	C	*	.			trans	-84.1	5.8	170.8	-61.6	0	0	0	0	112.3	W336 D414	W336-V416 HydrophobicContact CG-CG2 4.49Å; D414-V416 PolarHBondContact O-N 2.93Å
417	G	74.3	Confident	87.4	Confident	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.159	C	C	.	.			trans	81.5	151.2	-170.3	0	0	0	0	0	112.3	Y308 S415	Y308-G417 WeakPolarHBondContact O-CA 3.12Å; S415-G417 PolarHBondContact O-N 2.82Å; S415-G417 PolarHBondContact OG-N 2.84Å; S415-G417 VanDerWaalsContact OG-N 3.13Å
418	A	84.1	Confident	86.4	Confident	5 Å²	5	32.6 Å²	32.6	4%	0.041	17%	0.174	C	C	.	.			trans	-135.6	172.7	168.9	0	0	0	0	0	109.5	F307 Y308 Q334 W336 G420	F307-A418 WeakPolarHBondContact CA-O 3.38Å; Y308-A418 WeakPolarHBondContact CD1-O 3.28Å; Y308-A418 HydrophobicContact CE1-CB 3.86Å; Y308-A418 WeakPolarHBondContact CE1-O 3.05Å; Y308-A418 PolarHBondContact N-O 2.84Å; Y308-A418 VanDerWaalsContact N-O 3.13Å; Y308-A418 WeakPolarHBondContact OH-CB 3.48Å; Q334-A418 HydrophobicContact CG-CB 4.39Å; Q334-A418 VanDerWaalsContact O-CB 3.27Å; Q334-A418 WeakPolarHBondContact O-CB 3.17Å; W336-A418 HydrophobicContact CB-CB 4.2Å; A418-G420 PolarHBondContact O-N 3.11Å
419	R	85.3	Confident	85.1	Confident	49 Å²	49	33.8 Å²	33.8	19%	0.185	18%	0.183	C	C	.	.			trans	-60.7	-29.7	-178.1	-175.8	162.1	-79.9	-175.5	-3.8	112.9	D208 S301 Y304 F307 Q334	D208-R419 IonicContact OD1-CZ 3.66Å; D208-R419 IonicContact OD1-NH1 2.95Å; D208-R419 IonicContact OD1-NH2 2.64Å; D208-R419 PolarHBondContact OD1-NH2 2.98Å; D208-R419 IonicContact OD2-CZ 3.15Å; D208-R419 IonicContact OD2-NH1 3.81Å; D208-R419 PolarHBondContact OD2-NH1 3.17Å; D208-R419 IonicContact OD2-NH2 3.16Å; D208-R419 PolarHBondContact OD2-NH2 3.19Å; D208-R419 VanDerWaalsContact OD2-NH2 3.08Å; S301-R419 PolarHBondContact OG-O 3.08Å; Y304-R419 HydrophobicContact CD2-CG 4.35Å; Y304-R419 VanDerWaalsContact CD2-O 3.3Å; Y304-R419 WeakPolarHBondContact CD2-O 3.46Å; Y304-R419 HydrophobicContact CE2-CG 3.94Å; F307-R419 HydrophobicContact CD1-CB 4.22Å; F307-R419 HydrophobicContact CE1-CB 4.13Å; Q334-R419 HydrophobicContact CB-CB 4.12Å
420	G	91.6	Very high	83.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.8	-123.1	175.8	0	0	0	0	0	112.3	S301 Y308 N332 V333 Q334 A418	S301-G420 VanDerWaalsContact OG-CA 3.29Å; S301-G420 WeakPolarHBondContact OG-CA 3.17Å; Y308-G420 VanDerWaalsContact CE1-CA 3.49Å; N332-G420 VanDerWaalsContact O-O 3.14Å; V333-G420 CarbonylContact C-O 3.59Å; V333-G420 VanDerWaalsContact CA-O 3.27Å; V333-G420 WeakPolarHBondContact CA-O 3.41Å; Q334-G420 PolarHBondContact N-O 3Å; Q334-G420 WeakPolarHBondContact O-CA 3.3Å; Q334-G420 PolarHBondContact O-N 3.35Å; A418-G420 PolarHBondContact O-N 3.11Å
421	F	93.8	Very high	81.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	153.4	-176	56.3	-96.6	0	0	0	112.2	F299 F300 S301 Y316 L330 V333 I350 L407 L409	F299-F421 AromaticContact CD2-CE2 3.94Å; F299-F421 HydrophobicContact CD2-CE2 3.94Å; F299-F421 HydrophobicContact CE2-CD2 4.27Å; F299-F421 AromaticContact CE2-CE2 3.6Å; F299-F421 HydrophobicContact CE2-CE2 3.6Å; F299-F421 HydrophobicContact CE2-CZ 4.5Å; F300-F421 WeakPolarHBondContact CA-O 3.47Å; S301-F421 PolarHBondContact N-O 3.5Å; S301-F421 PolarHBondContact OG-N 3.45Å; S301-F421 PolarHBondContact OG-O 2.73Å; Y316-F421 AromaticContact CE2-CZ 3.93Å; Y316-F421 HydrophobicContact CE2-CZ 3.93Å; L330-F421 HydrophobicContact CD2-CD2 3.85Å; L330-F421 HydrophobicContact CD2-CE2 4.31Å; L330-F421 HydrophobicContact CD2-CG 4.43Å; V333-F421 HydrophobicContact CG2-CB 4.03Å; I350-F421 HydrophobicContact CD1-CD1 3.41Å; I350-F421 VanDerWaalsContact CD1-CD1 3.41Å; I350-F421 HydrophobicContact CD1-CE1 3.74Å; I350-F421 HydrophobicContact CD1-CG 4.21Å; I350-F421 HydrophobicContact CG1-CD1 4.27Å; I350-F421 HydrophobicContact CG1-CE1 4.14Å; L407-F421 HydrophobicContact CD1-CE2 4.44Å; L407-F421 HydrophobicContact CD1-CZ 4.42Å; L407-F421 HydrophobicContact CD2-CE1 4.47Å; L407-F421 HydrophobicContact CD2-CZ 4Å; L409-F421 HydrophobicContact CB-CE1 4.24Å; L409-F421 HydrophobicContact CD1-CE1 4.29Å; L409-F421 HydrophobicContact CD2-CE1 4.08Å; L409-F421 HydrophobicContact CG-CE1 4.43Å
422	E	94	Very high	79	Confident	29 Å²	29	45.4 Å²	45.4	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.2	164.4	170.4	174.4	-159	0	0	108.8	F300 Y304 L330 K331 F454	F300-E422 HydrophobicContact CD1-CB 3.96Å; F300-E422 HydrophobicContact CD1-CG 4Å; F300-E422 HydrophobicContact CE1-CB 4Å; F300-E422 HydrophobicContact CE1-CG 3.57Å; F300-E422 HydrophobicContact CZ-CG 4.49Å; Y304-E422 HydrophobicContact CE1-CB 4.31Å; L330-E422 CarbonylContact C-O 3.54Å; L330-E422 VanDerWaalsContact CA-O 3.28Å; L330-E422 WeakPolarHBondContact CA-O 3.43Å; K331-E422 PolarHBondContact N-O 2.83Å; K331-E422 PolarHBondContact O-N 2.86Å; E422-F454 VanDerWaalsContact CD-CE1 3.41Å; E422-F454 HydrophobicContact CG-CD1 4.41Å; E422-F454 HydrophobicContact CG-CE1 3.42Å; E422-F454 VanDerWaalsContact CG-CE1 3.42Å; E422-F454 HydrophobicContact CG-CZ 3.84Å; E422-F454 WeakPolarHBondContact OE1-CD1 3.17Å; E422-F454 WeakPolarHBondContact OE1-CE1 3.13Å
423	G	93.2	Very high	76.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	-175.9	0	0	0	0	0	112.3	K298 F299 K329	K298-G423 CarbonylContact C-O 3.53Å; K298-G423 WeakPolarHBondContact CA-O 3.23Å; F299-G423 VanDerWaalsContact CD1-C 3.45Å; F299-G423 WeakPolarHBondContact CD1-O 3.45Å; F299-G423 VanDerWaalsContact CE1-C 3.44Å; F299-G423 PolarHBondContact N-O 2.59Å; F299-G423 CarbonylContact O-C 3.54Å; F299-G423 VanDerWaalsContact O-CA 3.26Å; F299-G423 WeakPolarHBondContact O-CA 3.35Å; F299-G423 PolarHBondContact O-N 3.05Å; K329-G423 CarbonylContact O-C 3.48Å; K329-G423 VanDerWaalsContact O-CA 3.26Å; K329-G423 WeakPolarHBondContact O-CA 3.18Å
424	V	90	Very high	73.7	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.4	165.3	174.3	0	0	0	0	109.2	G297 K298 I328 K329 L453 F454	G297-V424 VanDerWaalsContact O-CA 3.28Å; G297-V424 WeakPolarHBondContact O-CA 3.27Å; G297-V424 VanDerWaalsContact O-CG1 3.31Å; G297-V424 WeakPolarHBondContact O-CG1 3.07Å; K298-V424 HydrophobicContact CB-CG2 4.42Å; K298-V424 HydrophobicContact CD-CG2 4.42Å; K298-V424 HydrophobicContact CG-CG2 3.47Å; K298-V424 VanDerWaalsContact CG-CG2 3.47Å; I328-V424 CarbonylContact C-O 3.58Å; I328-V424 WeakPolarHBondContact CA-O 3.41Å; K329-V424 PolarHBondContact N-O 2.93Å; K329-V424 PolarHBondContact O-N 3.41Å; V424-L453 HydrophobicContact CB-CB 4.13Å; V424-L453 HydrophobicContact CB-CD2 3.88Å; V424-L453 HydrophobicContact CB-CG 4.25Å; V424-L453 HydrophobicContact CG1-CB 3.64Å; V424-L453 HydrophobicContact CG1-CD2 3.26Å; V424-L453 HydrophobicContact CG1-CG 3.36Å; V424-L453 WeakPolarHBondContact CG2-O 3.37Å; V424-F454 HydrophobicContact CB-CD2 4.21Å; V424-F454 HydrophobicContact CB-CE1 4.13Å; V424-F454 HydrophobicContact CB-CE2 3.47Å; V424-F454 VanDerWaalsContact CB-CE2 3.47Å; V424-F454 HydrophobicContact CB-CZ 3.48Å; V424-F454 VanDerWaalsContact CB-CZ 3.48Å; V424-F454 HydrophobicContact CG2-CD1 3.75Å; V424-F454 HydrophobicContact CG2-CD2 3.91Å; V424-F454 HydrophobicContact CG2-CE1 3.1Å; V424-F454 HydrophobicContact CG2-CE2 3.35Å; V424-F454 HydrophobicContact CG2-CG 4.14Å; V424-F454 HydrophobicContact CG2-CZ 2.94Å
425	Y	87.8	Confident	70.9	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.4	175.5	69.7	-85.2	0	0	0	111.2	D245 F258 D296 G297 F299 F318 I327 F427	D245-Y425 HydrophobicContact CB-CE1 4.35Å; F258-Y425 HydrophobicContact CB-CE2 4.38Å; F258-Y425 AromaticContact CD1-CD1 3.88Å; F258-Y425 HydrophobicContact CD1-CD1 3.88Å; F258-Y425 AromaticContact CD1-CE1 3.25Å; F258-Y425 HydrophobicContact CD1-CE1 3.25Å; F258-Y425 HydrophobicContact CD1-CE2 4.27Å; F258-Y425 AromaticContact CD1-CZ 3.49Å; F258-Y425 VanDerWaalsContact CD1-CZ 3.49Å; F258-Y425 HydrophobicContact CE1-CD1 4.09Å; F258-Y425 AromaticContact CE1-CE1 3.54Å; F258-Y425 HydrophobicContact CE1-CE1 3.54Å; F258-Y425 HydrophobicContact CG-CE1 4.22Å; D296-Y425 CarbonylContact C-O 3.52Å; D296-Y425 WeakPolarHBondContact CA-O 2.98Å; G297-Y425 VanDerWaalsContact CA-CE1 3.48Å; G297-Y425 PolarHBondContact N-O 2.84Å; G297-Y425 WeakPolarHBondContact O-CD1 3.26Å; G297-Y425 WeakPolarHBondContact O-CE1 3.38Å; G297-Y425 PolarHBondContact O-N 2.82Å; F299-Y425 AromaticContact CD1-CD1 3.97Å; F299-Y425 HydrophobicContact CD1-CD1 3.97Å; F318-Y425 HydrophobicContact CD1-CD1 4.49Å; F318-Y425 HydrophobicContact CD1-CD2 4.26Å; F318-Y425 AromaticContact CD1-CG 3.92Å; F318-Y425 HydrophobicContact CD1-CG 3.92Å; F318-Y425 VanDerWaalsContact CE1-CB 3.45Å; F318-Y425 AromaticContact CE1-CD1 3.8Å; F318-Y425 HydrophobicContact CE1-CD1 3.8Å; F318-Y425 HydrophobicContact CE1-CD2 4.35Å; F318-Y425 AromaticContact CE1-CG 3.6Å; F318-Y425 HydrophobicContact CE1-CG 3.6Å; I327-Y425 CarbonylContact O-C 3.57Å; I327-Y425 WeakPolarHBondContact O-CA 3.45Å; Y425-F427 HydrophobicContact CD2-CD2 4.07Å; Y425-F427 AromaticContact CD2-CE2 3.64Å; Y425-F427 HydrophobicContact CD2-CE2 3.64Å; Y425-F427 HydrophobicContact CD2-CZ 4.08Å; Y425-F427 HydrophobicContact CE2-CD2 4.01Å; Y425-F427 AromaticContact CE2-CE2 3.49Å; Y425-F427 HydrophobicContact CE2-CE2 3.49Å; Y425-F427 VanDerWaalsContact CE2-CE2 3.49Å; Y425-F427 HydrophobicContact CE2-CZ 4.26Å
426	Q	83	Confident	68.2	Low	34 Å²	34	58.2 Å²	58.2	16%	0.159	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	137.2	170.9	-170.4	176.8	28.9	0	0	110.4	T295 D296 I327 L428	T295-Q426 CarbonylContact O-C 3.55Å; T295-Q426 WeakPolarHBondContact O-CA 3.37Å; D296-Q426 HydrophobicContact CB-CB 4.26Å; D296-Q426 HydrophobicContact CB-CG 4.08Å; I327-Q426 HydrophobicContact CB-CB 4.45Å; I327-Q426 PolarHBondContact N-O 2.91Å; I327-Q426 PolarHBondContact O-N 3.16Å; Q426-L428 HydrophobicContact CG-CD2 4.29Å; Q426-L428 HydrophobicContact CG-CG 4Å
427	F	80.5	Confident	65.9	Low	7 Å²	7	62 Å²	62	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113	170.6	-58.6	-67	0	0	0	108.9	F258 K294 T295 F318 A320 R325 I326 Y425	F258-F427 HydrophobicContact CB-CE2 4.49Å; F258-F427 HydrophobicContact CB-CZ 4.17Å; K294-F427 WeakPolarHBondContact O-CD2 3.21Å; T295-F427 PolarHBondContact O-N 3.43Å; F318-F427 HydrophobicContact CB-CE1 4.17Å; F318-F427 HydrophobicContact CB-CZ 4.32Å; F318-F427 HydrophobicContact CD1-CZ 4.4Å; A320-F427 HydrophobicContact CB-CD1 3.66Å; A320-F427 HydrophobicContact CB-CE1 4.05Å; R325-F427 WeakPolarHBondContact O-CA 3.4Å; I326-F427 HydrophobicContact CD1-CE1 4.36Å; I326-F427 HydrophobicContact CG1-CD1 3.91Å; I326-F427 HydrophobicContact CG1-CE1 3.94Å; Y425-F427 HydrophobicContact CD2-CD2 4.07Å; Y425-F427 AromaticContact CD2-CE2 3.64Å; Y425-F427 HydrophobicContact CD2-CE2 3.64Å; Y425-F427 HydrophobicContact CD2-CZ 4.08Å; Y425-F427 HydrophobicContact CE2-CD2 4.01Å; Y425-F427 AromaticContact CE2-CE2 3.49Å; Y425-F427 HydrophobicContact CE2-CE2 3.49Å; Y425-F427 VanDerWaalsContact CE2-CE2 3.49Å; Y425-F427 HydrophobicContact CE2-CZ 4.26Å
428	L	73.7	Confident	63.7	Low	59 Å²	59	64.7 Å²	64.7	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.2	-175.6	-76.6	163.2	0	0	0	111.5	E324 R325 I327 Q426	E324-L428 CarbonylContact C-O 3.57Å; E324-L428 WeakPolarHBondContact CA-O 3.39Å; R325-L428 PolarHBondContact N-O 3.38Å; R325-L428 PolarHBondContact O-N 3.27Å; I327-L428 HydrophobicContact CD1-CD1 3.26Å; I327-L428 HydrophobicContact CG1-CD1 3.89Å; Q426-L428 HydrophobicContact CG-CD2 4.29Å; Q426-L428 HydrophobicContact CG-CG 4Å
429	S	65.3	Low	61.4	Low	38 Å²	38	69.1 Å²	69.1	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135	173.4	176.1	0	0	0	0	112.2	N323 E431	N323-S429 CarbonylContact O-C 3.58Å; N323-S429 WeakPolarHBondContact O-CA 3.15Å; S429-E431 VanDerWaalsContact C-N 3.3Å; S429-E431 PolarHBondContact OG-N 2.85Å
430	R	60.5	Low	59.3	Low	106 Å²	106	72.9 Å²	72.9	40%	0.4	37%	0.368	S	S	.	.	S	Bend	trans	-69.6	-25.7	172.9	-65.2	175.5	-176.9	-168.3	-1.5	111.9	N323 E324 R325 D401 L433	N323-R430 VanDerWaalsContact O-CB 3.28Å; N323-R430 WeakPolarHBondContact O-CB 3.5Å; N323-R430 VanDerWaalsContact O-CG 3.3Å; N323-R430 WeakPolarHBondContact O-CG 3.31Å; N323-R430 PolarHBondContact O-N 2.04Å; E324-R430 PolarHBondContact O-NE 2.76Å; R325-R430 HydrophobicContact CG-CG 4.14Å; D401-R430 PolarHBondContact O-NH2 3.36Å; R430-L433 PolarHBondContact O-N 2.74Å
431	E	47.3	Very low	56.7	Low	121 Å²	121	74.7 Å²	74.7	57%	0.565	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-80.8	-20.2	-177.6	-73.5	171	-151.6	0	0	113.1	N323 S429 L433 S434	N323-E431 PolarHBondContact ND2-OE1 3.48Å; S429-E431 VanDerWaalsContact C-N 3.3Å; S429-E431 PolarHBondContact OG-N 2.85Å; E431-L433 PolarHBondContact O-N 3.14Å; E431-S434 PolarHBondContact O-N 3.16Å
432	K	41.7	Very low	54.3	Low	129 Å²	129	76 Å²	76	56%	0.561	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-65.7	9.5	165.9	-81.3	178.1	177.3	165.6	0	113.8	T821	K432-T821 WeakPolarHBondContact CD-OG1 3.17Å; K432-T821 WeakPolarHBondContact CE-OG1 3.31Å; K432-T821 PolarHBondContact NZ-OG1 2.92Å
433	L	36.8	Very low	51.8	Low	105 Å²	105	76.8 Å²	76.8	55%	0.55	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-121.2	3.5	171.3	-84.2	141.7	0	0	0	113.7	R430 E431	R430-L433 PolarHBondContact O-N 2.74Å; E431-L433 PolarHBondContact O-N 3.14Å
434	S	26.4	Very low	49.2	Very low	90 Å²	90	80.6 Å²	80.6	63%	0.629	41%	0.407	S	S	*	.	S	Bend	trans	-116	117.4	174.9	175.8	0	0	0	0	109.5	E431	E431-S434 PolarHBondContact O-N 3.16Å
435	Y	23.5	Very low	46.7	Very low	209 Å²	209	84.2 Å²	84.2	82%	0.82	43%	0.426	S	S	*	.	S	Bend	trans	84.4	110	178.7	-139.9	-107.8	0	0	0	112.3
436	N	26.1	Very low	44.3	Very low	113 Å²	113	86 Å²	86	60%	0.604	43%	0.434	S	S	*	.			cis	-158.5	138.3	33.9	-110.1	-21.4	0	0	0	109.9
437	Q	25.6	Very low	42.1	Very low	198 Å²	198	90.7 Å²	90.7	93%	0.925	45%	0.454	S	S	*	.			trans	31.9	107.6	162.1	-72.7	176	-30.5	0	0	119.8
438	G	28.5	Very low	40	Very low	61 Å²	61	95.5 Å²	95.5	63%	0.629	48%	0.476	S	S	*	.			trans	131.2	73.8	151	0	0	0	0	0	117.2	H440	G438-H440 PolarHBondContact O-CD2 2.82Å
439	D	34.8	Very low	38.2	Very low	99 Å²	99	93.2 Å²	93.2	53%	0.529	46%	0.464	S	S	.	.				62.5	69.8	129	-145.7	7.9	0	0	0	120.2	K488	D439-K488 PolarHBondContact O-NZ 3.32Å; D439-K488 WeakPolarHBondContact OD1-CD 3.37Å; D439-K488 VanDerWaalsContact OD1-CE 3.32Å; D439-K488 WeakPolarHBondContact OD1-CE 3.26Å
440	H	41.9	Very low	36.7	Very low	128 Å²	128	94 Å²	94	59%	0.593	47%	0.466	S	S	*	.			trans	-129	138.8	170.1	-80.1	-70.8	0	0	0	118.2	G438 N485 K488	G438-H440 PolarHBondContact O-CD2 2.82Å; H440-N485 PolarHBondContact O-ND2 2.82Å; H440-N485 VanDerWaalsContact O-ND2 3.13Å; H440-K488 WeakPolarHBondContact O-CB 3.26Å; H440-K488 WeakPolarHBondContact O-CD 3.35Å
441	D	35.4	Very low	35.6	Very low	37 Å²	37	96.3 Å²	96.3	20%	0.198	47%	0.474	C	S	.	.			trans	-86.8	140	-172.3	-81.4	-44.1	0	0	0	109.6	K443 D444 K488 Q490 G491	D441-K443 PolarHBondContact O-N 2.77Å; D441-D444 PolarHBondContact O-N 2.79Å; D441-K488 HydrophobicContact CB-CD 4.04Å; D441-K488 VanDerWaalsContact CG-CD 3.42Å; D441-K488 WeakPolarHBondContact OD1-CD 3.38Å; D441-K488 WeakPolarHBondContact OD1-CE 3.31Å; D441-K488 IonicContact OD1-NZ 3.42Å; D441-K488 WeakPolarHBondContact OD2-CE 2.88Å; D441-K488 IonicContact OD2-NZ 3.9Å; D441-K488 PolarHBondContact OD2-NZ 3.47Å; D441-Q490 VanDerWaalsContact OD1-C 3.3Å; D441-G491 WeakPolarHBondContact OD1-CA 3.49Å
442	E	43.8	Very low	35	Very low	29 Å²	29	97.5 Å²	97.5	14%	0.136	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-1.1	-172.3	-139.3	-174.8	-163.1	0	0	115.4	I445 I482 W483	E442-I445 HydrophobicContact CG-CD1 4.24Å; E442-I482 VanDerWaalsContact OE2-CA 3.26Å; E442-I482 WeakPolarHBondContact OE2-CA 3.1Å; E442-I482 VanDerWaalsContact OE2-CG2 3.24Å; E442-I482 WeakPolarHBondContact OE2-CG2 3.39Å; E442-W483 VanDerWaalsContact CD-N 3.27Å; E442-W483 WeakPolarHBondContact OE1-CA 3.44Å; E442-W483 VanDerWaalsContact OE1-CB 3.29Å; E442-W483 WeakPolarHBondContact OE1-CB 3.37Å; E442-W483 PolarHBondContact OE1-N 2.8Å; E442-W483 VanDerWaalsContact OE1-N 3.1Å; E442-W483 VanDerWaalsContact OE1-O 3.07Å; E442-W483 PolarHBondContact OE2-N 3.15Å
443	K	41.1	Very low	34.8	Very low	44 Å²	44	92 Å²	92	19%	0.191	46%	0.456	C	S	.	.	H	α-helix	trans	-85.1	-23.1	-176.8	-75	-100.9	172.1	176.7	0	114.2	D441 T492 I493	D441-K443 PolarHBondContact O-N 2.77Å; K443-T492 WeakPolarHBondContact CD-O 3.4Å; K443-T492 WeakPolarHBondContact CE-O 3.43Å; K443-T492 WeakPolarHBondContact CG-O 3.34Å; K443-I493 VanDerWaalsContact NZ-CB 3.32Å; K443-I493 VanDerWaalsContact NZ-CG1 3.32Å; K443-I493 VanDerWaalsContact NZ-CG2 3.29Å
444	D	38.8	Very low	34.7	Very low	81 Å²	81	87.4 Å²	87.4	43%	0.433	43%	0.432	S	S	.	.	H	α-helix	trans	-83.2	-19.4	-179.9	-72.3	-34.9	0	0	0	112.7	D441 K447 H448	D441-D444 PolarHBondContact O-N 2.79Å; D444-K447 PolarHBondContact O-N 3.45Å; D444-H448 WeakPolarHBondContact O-CB 3.17Å; D444-H448 PolarHBondContact O-N 3.24Å; D444-H448 PolarHBondContact O-ND1 3.1Å
445	I	38.4	Very low	35	Very low	79 Å²	79	88.1 Å²	88.1	41%	0.405	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-48.8	174.8	-63.6	173	0	0	0	109.8	E442 K447 H448 I449	E442-I445 HydrophobicContact CG-CD1 4.24Å; I445-K447 PolarHBondContact O-N 2.83Å; I445-H448 PolarHBondContact O-N 3.1Å; I445-I449 HydrophobicContact CG2-CD1 3.55Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 WeakPolarHBondContact O-CB 3.37Å; I445-I449 VanDerWaalsContact O-CD1 3.25Å; I445-I449 WeakPolarHBondContact O-CD1 3.36Å; I445-I449 WeakPolarHBondContact O-CG1 3.27Å; I445-I449 PolarHBondContact O-N 2.84Å
446	H	37.3	Very low	35.3	Very low	38 Å²	38	82.4 Å²	82.4	18%	0.176	42%	0.418	C	S	.	.	H	α-helix	trans	-68.1	-36	-179.1	-73	-68.4	0	0	0	113.9	I399 D450	I399-H446 WeakPolarHBondContact CD1-CE1 3.49Å; H446-D450 VanDerWaalsContact O-CG 3.28Å; H446-D450 PolarHBondContact O-N 3.15Å; H446-D450 VanDerWaalsContact O-N 3.1Å
447	K	36.8	Very low	35.7	Very low	134 Å²	134	82 Å²	82	58%	0.583	42%	0.421	S	S	*	.	H	α-helix	trans	-74.4	-32.2	177.6	-77.6	-172.3	175.5	-174.7	0	113.3	D444 I445	D444-K447 PolarHBondContact O-N 3.45Å; I445-K447 PolarHBondContact O-N 2.83Å
448	H	35.7	Very low	35.6	Very low	108 Å²	108	79 Å²	79	50%	0.5	42%	0.417	S	S	.	.	H	α-helix	trans	-74.2	-39.1	174	-80.7	70.9	0	0	0	111.5	D444 I445 D450 R451 E452	D444-H448 WeakPolarHBondContact O-CB 3.17Å; D444-H448 PolarHBondContact O-N 3.24Å; D444-H448 PolarHBondContact O-ND1 3.1Å; I445-H448 PolarHBondContact O-N 3.1Å; H448-D450 VanDerWaalsContact C-N 3.28Å; H448-D450 PolarHBondContact O-N 3.46Å; H448-R451 PolarHBondContact O-N 2.86Å; H448-E452 PolarHBondContact O-N 2.71Å
449	I	36.1	Very low	35.4	Very low	10 Å²	10	82.5 Å²	82.5	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-56.6	-43.9	171.5	-70.7	164.8	0	0	0	110.3	I327 I445 R451 L453	I327-I449 HydrophobicContact CD1-CD1 3.4Å; I327-I449 VanDerWaalsContact CD1-CD1 3.4Å; I327-I449 HydrophobicContact CD1-CG1 4.43Å; I327-I449 HydrophobicContact CG2-CD1 4.39Å; I327-I449 HydrophobicContact CG2-CG2 4.25Å; I445-I449 HydrophobicContact CG2-CD1 3.55Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 WeakPolarHBondContact O-CB 3.37Å; I445-I449 VanDerWaalsContact O-CD1 3.25Å; I445-I449 WeakPolarHBondContact O-CD1 3.36Å; I445-I449 WeakPolarHBondContact O-CG1 3.27Å; I445-I449 PolarHBondContact O-N 2.84Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 2.82Å; I449-L453 HydrophobicContact CB-CD1 4.19Å; I449-L453 HydrophobicContact CG2-CD1 3.71Å; I449-L453 HydrophobicContact CG2-CD2 3.96Å; I449-L453 HydrophobicContact CG2-CG 4.39Å; I449-L453 VanDerWaalsContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CB 3.09Å; I449-L453 WeakPolarHBondContact O-CD1 3.49Å; I449-L453 PolarHBondContact O-N 3.16Å
450	D	35.3	Very low	34.8	Very low	56 Å²	56	85 Å²	85	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-30.8	-179.1	-76.4	-18.2	0	0	0	114.3	K329 H446 H448	K329-D450 VanDerWaalsContact NZ-CG 3.33Å; K329-D450 IonicContact NZ-OD1 2.73Å; K329-D450 PolarHBondContact NZ-OD1 2.81Å; K329-D450 IonicContact NZ-OD2 3.37Å; H446-D450 VanDerWaalsContact O-CG 3.28Å; H446-D450 PolarHBondContact O-N 3.15Å; H446-D450 VanDerWaalsContact O-N 3.1Å; H448-D450 VanDerWaalsContact C-N 3.28Å; H448-D450 PolarHBondContact O-N 3.46Å
451	R	36.1	Very low	33.8	Very low	154 Å²	154	81.6 Å²	81.6	58%	0.581	43%	0.425	S	S	*	.	H	α-helix	trans	-90.7	-29.9	-177.2	-165.7	176.9	172.5	-179.1	-2.4	113.3	H448 I449	H448-R451 PolarHBondContact O-N 2.86Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 2.82Å
452	E	35.7	Very low	33.2	Very low	146 Å²	146	88.1 Å²	88.1	68%	0.682	45%	0.452	S	S	*	.	H	α-helix	trans	-81.4	-39.2	176.2	-74	-107	143.7	0	0	112.5	H448	H448-E452 PolarHBondContact O-N 2.71Å
453	L	37.2	Very low	32.1	Very low	13 Å²	13	94.7 Å²	94.7	7%	0.068	49%	0.485	C	S	.	.	H	α-helix	trans	-78.7	-27.9	-172.3	-84	76	0	0	0	113.5	V424 I449	V424-L453 HydrophobicContact CB-CB 4.13Å; V424-L453 HydrophobicContact CB-CD2 3.88Å; V424-L453 HydrophobicContact CB-CG 4.25Å; V424-L453 HydrophobicContact CG1-CB 3.64Å; V424-L453 HydrophobicContact CG1-CD2 3.26Å; V424-L453 HydrophobicContact CG1-CG 3.36Å; V424-L453 WeakPolarHBondContact CG2-O 3.37Å; I449-L453 HydrophobicContact CB-CD1 4.19Å; I449-L453 HydrophobicContact CG2-CD1 3.71Å; I449-L453 HydrophobicContact CG2-CD2 3.96Å; I449-L453 HydrophobicContact CG2-CG 4.39Å; I449-L453 VanDerWaalsContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CB 3.09Å; I449-L453 WeakPolarHBondContact O-CD1 3.49Å; I449-L453 PolarHBondContact O-N 3.16Å
454	F	35.1	Very low	31.3	Very low	9 Å²	9	99 Å²	99	4%	0.039	51%	0.51	C	S	.	.			trans	-153.9	94.7	178.7	-62.7	-83	0	0	0	111.8	K329 K331 E422 V424 D456	K329-F454 HydrophobicContact CB-CE2 4.24Å; K329-F454 HydrophobicContact CD-CD2 4.16Å; K329-F454 HydrophobicContact CD-CE2 4.12Å; K329-F454 HydrophobicContact CG-CE2 4.05Å; K331-F454 HydrophobicContact CD-CB 4.32Å; K331-F454 HydrophobicContact CD-CD1 4.38Å; K331-F454 HydrophobicContact CD-CD2 3.88Å; K331-F454 HydrophobicContact CD-CE2 4.07Å; K331-F454 HydrophobicContact CD-CG 3.98Å; K331-F454 HydrophobicContact CD-CZ 4.37Å; K331-F454 VanDerWaalsContact CE-CD2 3.46Å; K331-F454 HydrophobicContact CG-CD2 4.34Å; K331-F454 HydrophobicContact CG-CE2 4.06Å; K331-F454 HydrophobicContact CG-CZ 4.33Å; E422-F454 VanDerWaalsContact CD-CE1 3.41Å; E422-F454 HydrophobicContact CG-CD1 4.41Å; E422-F454 HydrophobicContact CG-CE1 3.42Å; E422-F454 VanDerWaalsContact CG-CE1 3.42Å; E422-F454 HydrophobicContact CG-CZ 3.84Å; E422-F454 WeakPolarHBondContact OE1-CD1 3.17Å; E422-F454 WeakPolarHBondContact OE1-CE1 3.13Å; V424-F454 HydrophobicContact CB-CD2 4.21Å; V424-F454 HydrophobicContact CB-CE1 4.13Å; V424-F454 HydrophobicContact CB-CE2 3.47Å; V424-F454 VanDerWaalsContact CB-CE2 3.47Å; V424-F454 HydrophobicContact CB-CZ 3.48Å; V424-F454 VanDerWaalsContact CB-CZ 3.48Å; V424-F454 HydrophobicContact CG2-CD1 3.75Å; V424-F454 HydrophobicContact CG2-CD2 3.91Å; V424-F454 HydrophobicContact CG2-CE1 3.1Å; V424-F454 HydrophobicContact CG2-CE2 3.35Å; V424-F454 HydrophobicContact CG2-CG 4.14Å; V424-F454 HydrophobicContact CG2-CZ 2.94Å; F454-D456 PolarHBondContact O-N 2.81Å
455	P	31.9	Very low	30.6	Very low	105 Å²	105	100.6 Å²	100.6	68%	0.682	52%	0.523	S	S	*	.			trans	-65	116.7	166.5	26.4	-30.6	0	0	0	108.2	P457	P455-P457 VanDerWaalsContact O-CD 3.31Å; P455-P457 WeakPolarHBondContact O-CD 3.47Å
456	D	29.2	Very low	30	Very low	88 Å²	88	105.8 Å²	105.8	47%	0.471	55%	0.546	S	S	.	.			trans	-88.5	114.2	-172.9	-164.2	-26.6	0	0	0	110.9	F454 I459	F454-D456 PolarHBondContact O-N 2.81Å; D456-I459 WeakPolarHBondContact OD2-CD1 3.43Å
457	P	34	Very low	29.4	Very low	104 Å²	104	110.7 Å²	110.7	68%	0.675	57%	0.572	S	S	*	*			trans	-96.9	109.5	165.9	23.5	-3.7	0	0	0	108.6	P455	P455-P457 VanDerWaalsContact O-CD 3.31Å; P455-P457 WeakPolarHBondContact O-CD 3.47Å
458	T	24.7	Very low	28.9	Very low	137 Å²	137	111.7 Å²	111.7	84%	0.84	58%	0.583	S	S	*	*			trans	80.7	76.3	159.7	70.1	0	0	0	0	118.6
459	I	24.8	Very low	28.4	Very low	133 Å²	133	110.8 Å²	110.8	68%	0.682	59%	0.589	S	S	*	*			trans	-94.5	107.9	156.7	-62.5	-179.6	0	0	0	110.1	D456	D456-I459 WeakPolarHBondContact OD2-CD1 3.43Å
460	K	22.1	Very low	28	Very low	152 Å²	152	115.9 Å²	115.9	66%	0.661	63%	0.626	S	S	*	*			trans	-139.3	119.6	159.7	-103.2	-169.3	178.4	-171	0	110.3	R920	K460-R920 VanDerWaalsContact NZ-CZ 3.28Å
461	G	20.9	Very low	27.8	Very low	56 Å²	56	119.2 Å²	119.2	58%	0.577	65%	0.648	S	S	*	*			trans	89.4	115	148.2	0	0	0	0	0	116.2
462	F	22	Very low	27.5	Very low	174 Å²	174	119.5 Å²	119.5	76%	0.763	66%	0.656	S	S	*	*				149.2	100	119	-85.9	-77.6	0	0	0	109.2
463	M	20.6	Very low	27.6	Very low	167 Å²	167	118.2 Å²	118.2	82%	0.823	65%	0.648	S	S	*	*			trans	-124.4	115	161.8	-85.9	-81.9	154.2	0	0	106.8
464	N	23.9	Very low	27.7	Very low	134 Å²	134	121.2 Å²	121.2	72%	0.717	66%	0.66	S	S	*	*			trans	-134	145.4	177.8	-102.4	-5.8	0	0	0	109.8
465	T	25.7	Very low	28.3	Very low	115 Å²	115	122.9 Å²	122.9	71%	0.706	67%	0.671	S	S	*	*			trans	77	104.2	153.3	55.9	0	0	0	0	121.1
466	E	25.2	Very low	29.2	Very low	189 Å²	189	118.9 Å²	118.9	88%	0.883	64%	0.644	S	S	*	*				78.7	136.6	121.9	-70.4	-178	-174.7	0	0	122.1
467	I	24.2	Very low	30.3	Very low	140 Å²	140	118.3 Å²	118.3	72%	0.718	64%	0.639	S	S	*	*			trans	-104.5	132.7	-161.3	-68.6	157.4	0	0	0	107.5
468	D	26.2	Very low	31.3	Very low	156 Å²	156	117.1 Å²	117.1	83%	0.834	62%	0.624	S	S	*	*			trans	-121.4	149.1	152.2	-152.9	-1.2	0	0	0	110.3
469	S	25.8	Very low	32.9	Very low	88 Å²	88	112.2 Å²	112.2	62%	0.615	59%	0.592	S	S	*	*			trans	-101.7	153.9	-153.1	52.6	0	0	0	0	112.7
470	S	28.3	Very low	35	Very low	117 Å²	117	106.8 Å²	106.8	82%	0.818	57%	0.565	S	S	*	*	S	Bend	trans	86.3	117.2	173	78.8	0	0	0	0	117.8
471	V	29.6	Very low	37.1	Very low	127 Å²	127	102.1 Å²	102.1	77%	0.77	55%	0.545	S	S	*	.			trans	77.8	70.7	-178.9	-158.1	0	0	0	0	115.6	K473	V471-K473 PolarHBondContact O-N 2.79Å
472	Q	30.7	Very low	39.5	Very low	160 Å²	160	99.8 Å²	99.8	75%	0.748	52%	0.519	S	S	*	.			trans	-56.4	100	167	-72	178.8	-9.1	0	0	111.1
473	K	36.8	Very low	41.8	Very low	119 Å²	119	94.9 Å²	94.9	52%	0.517	50%	0.496	S	S	.	.			trans	-74.6	123.8	163.7	-73.9	176.9	175.7	172.5	0	108	H342 V471 T475	H342-K473 HydrophobicContact CB-CD 3.89Å; H342-K473 PolarHBondContact O-NZ 2.77Å; V471-K473 PolarHBondContact O-N 2.79Å; K473-T475 VanDerWaalsContact C-N 3.34Å; K473-T475 PolarHBondContact O-N 3.42Å
474	K	40.4	Very low	44.1	Very low	76 Å²	76	88.7 Å²	88.7	33%	0.33	47%	0.465	S	S	.	.			trans	-67.4	79.3	-177.2	-67.1	179.1	178.8	-173.3	0	111.5	Y549 Y553 Y586	K474-Y549 PolarHBondContact NZ-OH 3.49Å; K474-Y549 VanDerWaalsContact NZ-OH 3.09Å; K474-Y553 HydrophobicContact CD-CD2 4.49Å; K474-Y553 PolarHBondContact NZ-O 2.8Å; K474-Y586 HydrophobicContact CD-CE1 4.07Å; K474-Y586 HydrophobicContact CG-CE1 4.4Å
475	T	47.6	Very low	46	Very low	44 Å²	44	83.9 Å²	83.9	27%	0.27	44%	0.439	S	S	.	.			trans	-79.8	121	169	-46.9	0	0	0	0	108.8	H342 K473 R507	H342-T475 PolarHBondContact CD2-OG1 3.16Å; H342-T475 PolarHBondContact NE2-OG1 2.98Å; K473-T475 VanDerWaalsContact C-N 3.34Å; K473-T475 PolarHBondContact O-N 3.42Å; T475-R507 WeakPolarHBondContact O-CD 3.39Å
476	I	51.6	Low	47.5	Very low	21 Å²	21	83.3 Å²	83.3	11%	0.108	44%	0.438	C	S	.	.			trans	-99.5	123.1	-176.7	-63.3	162.1	0	0	0	108.8	Q478 I479 R507 L509 Y553 Y586	I476-Q478 VanDerWaalsContact CG2-O 3.29Å; I476-Q478 WeakPolarHBondContact CG2-O 3.28Å; I476-I479 HydrophobicContact CB-CG1 4.43Å; I476-I479 HydrophobicContact CG2-CD1 4.49Å; I476-I479 HydrophobicContact CG2-CG1 3.69Å; I476-R507 WeakPolarHBondContact CG2-O 3.18Å; I476-L509 HydrophobicContact CD1-CB 3.97Å; I476-L509 HydrophobicContact CD1-CD2 3.64Å; I476-L509 HydrophobicContact CD1-CG 4.29Å; I476-L509 HydrophobicContact CG2-CB 3.8Å; I476-Y553 HydrophobicContact CD1-CE1 4.4Å; I476-Y553 HydrophobicContact CD1-CE2 3.54Å; I476-Y553 VanDerWaalsContact CD1-CZ 3.47Å; I476-Y553 WeakPolarHBondContact CD1-OH 3.35Å; I476-Y586 HydrophobicContact CD1-CE2 4.49Å; I476-Y586 HydrophobicContact CG1-CE2 3.84Å
477	Q	52.3	Low	48.5	Very low	76 Å²	76	78.3 Å²	78.3	36%	0.355	42%	0.424	S	S	.	.	S	Bend	trans	-76.6	-31.9	-179.2	-69.7	167.3	-11.5	0	0	113	N505 C506 R507	Q477-N505 PolarHBondContact NE2-O 3.06Å; Q477-C506 PolarHBondContact OE1-SG 3.12Å; Q477-C506 VanDerWaalsContact OE1-SG 3.38Å; Q477-R507 PolarHBondContact N-O 3.16Å
478	Q	53.5	Low	50	Low	79 Å²	79	73 Å²	73	37%	0.369	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.9	-178.4	-169.8	179.3	-7.5	0	0	112	I476 N480 R507 L508 L509	I476-Q478 VanDerWaalsContact CG2-O 3.29Å; I476-Q478 WeakPolarHBondContact CG2-O 3.28Å; Q478-N480 PolarHBondContact NE2-ND2 3.01Å; Q478-N480 PolarHBondContact NE2-OD1 3.28Å; Q478-R507 PolarHBondContact N-O 3.3Å; Q478-L508 HydrophobicContact CB-CD2 4.18Å; Q478-L508 HydrophobicContact CB-CG 4.09Å; Q478-L508 HydrophobicContact CG-CD2 4.46Å; Q478-L508 CarbonylContact O-C 3.51Å; Q478-L508 WeakPolarHBondContact O-CA 3.18Å; Q478-L508 VanDerWaalsContact OE1-CD2 3.28Å; Q478-L509 PolarHBondContact O-N 3.18Å
479	I	59.7	Low	52.2	Low	34 Å²	34	68.3 Å²	68.3	17%	0.174	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	176.5	-54.6	173.9	0	0	0	109.7	L387 I476 L509	L387-I479 HydrophobicContact CD1-CD1 4.06Å; I476-I479 HydrophobicContact CB-CG1 4.43Å; I476-I479 HydrophobicContact CG2-CD1 4.49Å; I476-I479 HydrophobicContact CG2-CG1 3.69Å; I479-L509 CarbonylContact C-O 3.57Å; I479-L509 VanDerWaalsContact CA-O 3.29Å; I479-L509 WeakPolarHBondContact CA-O 3.21Å; I479-L509 HydrophobicContact CG1-CB 4.32Å; I479-L509 HydrophobicContact CG2-CD2 4.4Å
480	N	68.1	Low	54.7	Low	19 Å²	19	69.2 Å²	69.2	10%	0.102	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.8	-179.4	-68.9	-24.8	0	0	0	110	Q478 L509 Y510 T511	Q478-N480 PolarHBondContact NE2-ND2 3.01Å; Q478-N480 PolarHBondContact NE2-OD1 3.28Å; N480-L509 PolarHBondContact N-O 2.83Å; N480-Y510 HydrophobicContact CB-CD1 3.51Å; N480-Y510 HydrophobicContact CB-CE1 3.85Å; N480-Y510 HydrophobicContact CB-CG 4.34Å; N480-Y510 WeakPolarHBondContact ND2-CE1 3.47Å; N480-Y510 CarbonylContact O-C 3.35Å; N480-Y510 VanDerWaalsContact O-CA 3.29Å; N480-Y510 WeakPolarHBondContact O-CA 3.2Å; N480-T511 PolarHBondContact O-N 3.49Å
481	H	65.2	Low	56.8	Low	54 Å²	54	63.8 Å²	63.8	25%	0.25	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	178.8	-73.5	-79.7	0	0	0	111	T511	H481-T511 WeakPolarHBondContact CA-O 3.5Å; H481-T511 WeakPolarHBondContact ND1-CB 3.38Å
482	I	72.5	Confident	58.9	Low	6 Å²	6	60.1 Å²	60.1	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	178.6	-62.2	170.9	0	0	0	107.6	E442 I493 Y510 T511 I512 N513 Y604	E442-I482 VanDerWaalsContact OE2-CA 3.26Å; E442-I482 WeakPolarHBondContact OE2-CA 3.1Å; E442-I482 VanDerWaalsContact OE2-CG2 3.24Å; E442-I482 WeakPolarHBondContact OE2-CG2 3.39Å; I482-I493 HydrophobicContact CD1-CD1 3.49Å; I482-I493 VanDerWaalsContact CD1-CD1 3.49Å; I482-I493 HydrophobicContact CD1-CG1 3.97Å; I482-Y510 HydrophobicContact CD1-CD1 4.43Å; I482-T511 PolarHBondContact N-O 2.83Å; I482-I512 HydrophobicContact CB-CB 4.45Å; I482-I512 HydrophobicContact CB-CG1 4.08Å; I482-I512 HydrophobicContact CB-CG2 4.43Å; I482-I512 HydrophobicContact CD1-CG1 3.99Å; I482-I512 HydrophobicContact CG2-CG1 4.41Å; I482-I512 HydrophobicContact CG2-CG2 4.19Å; I482-I512 WeakPolarHBondContact O-CA 3.45Å; I482-N513 PolarHBondContact O-N 2.85Å; I482-N513 PolarHBondContact O-ND2 2.88Å; I482-N513 VanDerWaalsContact O-ND2 3.16Å; I482-Y604 HydrophobicContact CD1-CE1 4.37Å; I482-Y604 HydrophobicContact CG2-CE1 4.33Å; I482-Y604 HydrophobicContact CG2-CE2 4.09Å
483	W	70.3	Confident	61.5	Low	71 Å²	71	52.5 Å²	52.5	27%	0.269	27%	0.27	S	S	.	.			trans	-113.3	153	173.8	-59.7	86.5	0	0	0	110.4	E442 N485 N513 M580	E442-W483 VanDerWaalsContact CD-N 3.27Å; E442-W483 WeakPolarHBondContact OE1-CA 3.44Å; E442-W483 VanDerWaalsContact OE1-CB 3.29Å; E442-W483 WeakPolarHBondContact OE1-CB 3.37Å; E442-W483 PolarHBondContact OE1-N 2.8Å; E442-W483 VanDerWaalsContact OE1-N 3.1Å; E442-W483 VanDerWaalsContact OE1-O 3.07Å; E442-W483 PolarHBondContact OE2-N 3.15Å; W483-N485 PolarHBondContact O-N 2.97Å; W483-N485 VanDerWaalsContact O-N 3.12Å; W483-N513 HydrophobicContact CD2-CB 3.92Å; W483-N513 HydrophobicContact CE3-CB 3.44Å; W483-N513 VanDerWaalsContact CE3-CB 3.44Å; W483-N513 HydrophobicContact CH2-CB 4.4Å; W483-N513 WeakPolarHBondContact CZ2-ND2 3.31Å; W483-N513 HydrophobicContact CZ3-CB 3.71Å; W483-M580 HydrophobicContact CZ3-CE 4.02Å; W483-M580 HydrophobicContact CZ3-SD 4.37Å
484	M	69.3	Low	63.5	Low	37 Å²	37	49.5 Å²	49.5	18%	0.182	26%	0.257	C	S	.	.			trans	-69.3	117.7	177.2	-173.2	-176.1	81.1	0	0	109.6	P486 L489 P515 R518 Y606	M484-P486 WeakPolarHBondContact O-CD 3.29Å; M484-L489 HydrophobicContact CG-CD2 3.99Å; M484-L489 HydrophobicContact SD-CD2 3.89Å; M484-P515 HydrophobicContact CB-CG 3.83Å; M484-P515 HydrophobicContact CE-CB 4.48Å; M484-P515 HydrophobicContact CE-CG 3.83Å; M484-P515 HydrophobicContact SD-CG 3.95Å; M484-R518 HydrophobicContact CE-CG 4.46Å; M484-R518 HydrophobicContact SD-CG 3.91Å; M484-Y606 HydrophobicContact CB-CD1 4.2Å; M484-Y606 HydrophobicContact CB-CD2 4.11Å; M484-Y606 HydrophobicContact CB-CE1 3.87Å; M484-Y606 HydrophobicContact CB-CE2 3.79Å; M484-Y606 HydrophobicContact CB-CG 4.3Å; M484-Y606 HydrophobicContact CG-CD1 3.99Å; M484-Y606 HydrophobicContact CG-CD2 3.62Å; M484-Y606 HydrophobicContact CG-CE1 4.17Å; M484-Y606 HydrophobicContact CG-CE2 3.84Å; M484-Y606 HydrophobicContact CG-CG 3.69Å; M484-Y606 PolarHBondContact N-OH 3.1Å; M484-Y606 HydrophobicContact SD-CD1 3.97Å; M484-Y606 HydrophobicContact SD-CD2 4.44Å; M484-Y606 HydrophobicContact SD-CG 3.9Å
485	N	62.6	Low	65.4	Low	33 Å²	33	46.2 Å²	46.2	18%	0.176	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-79.2	119.1	164.2	-174.1	-9	0	0	0	108.7	H440 W483 S487 K488	H440-N485 PolarHBondContact O-ND2 2.82Å; H440-N485 VanDerWaalsContact O-ND2 3.13Å; W483-N485 PolarHBondContact O-N 2.97Å; W483-N485 VanDerWaalsContact O-N 3.12Å; N485-S487 PolarHBondContact O-N 2.84Å; N485-S487 WeakPolarHBondContact OD1-CB 3.28Å; N485-S487 PolarHBondContact OD1-N 2.92Å; N485-K488 CarbonylContact O-C 3.59Å; N485-K488 PolarHBondContact O-N 3.39Å; N485-K488 VanDerWaalsContact O-N 3.14Å
486	P	56.8	Low	66.5	Low	103 Å²	103	45.5 Å²	45.5	67%	0.669	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30	176.5	-23.2	34.1	0	0	0	113.5	M484	M484-P486 WeakPolarHBondContact O-CD 3.29Å
487	S	47.6	Very low	67.1	Low	85 Å²	85	49.4 Å²	49.4	59%	0.594	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.9	-179.7	-53	0	0	0	0	113.2	N485	N485-S487 PolarHBondContact O-N 2.84Å; N485-S487 WeakPolarHBondContact OD1-CB 3.28Å; N485-S487 PolarHBondContact OD1-N 2.92Å
488	K	56.1	Low	67.4	Low	27 Å²	27	46.8 Å²	46.8	12%	0.117	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-144.3	99.4	177.7	-158.1	168.6	-170.7	178	0	110.7	D439 H440 D441 N485 Q490	D439-K488 PolarHBondContact O-NZ 3.32Å; D439-K488 WeakPolarHBondContact OD1-CD 3.37Å; D439-K488 VanDerWaalsContact OD1-CE 3.32Å; D439-K488 WeakPolarHBondContact OD1-CE 3.26Å; H440-K488 WeakPolarHBondContact O-CB 3.26Å; H440-K488 WeakPolarHBondContact O-CD 3.35Å; D441-K488 HydrophobicContact CB-CD 4.04Å; D441-K488 VanDerWaalsContact CG-CD 3.42Å; D441-K488 WeakPolarHBondContact OD1-CD 3.38Å; D441-K488 WeakPolarHBondContact OD1-CE 3.31Å; D441-K488 IonicContact OD1-NZ 3.42Å; D441-K488 WeakPolarHBondContact OD2-CE 2.88Å; D441-K488 IonicContact OD2-NZ 3.9Å; D441-K488 PolarHBondContact OD2-NZ 3.47Å; N485-K488 CarbonylContact O-C 3.59Å; N485-K488 PolarHBondContact O-N 3.39Å; N485-K488 VanDerWaalsContact O-N 3.14Å; K488-Q490 HydrophobicContact CG-CG 4.39Å; K488-Q490 PolarHBondContact O-N 3.44Å
489	L	71.5	Confident	67.6	Low	58 Å²	58	44.4 Å²	44.4	30%	0.304	24%	0.239	S	C	.	.			trans	-80.1	-1.3	-176.3	-62.6	177.1	0	0	0	112.9	M484 E605 Y606	M484-L489 HydrophobicContact CG-CD2 3.99Å; M484-L489 HydrophobicContact SD-CD2 3.89Å; L489-E605 CarbonylContact O-C 3.43Å; L489-E605 WeakPolarHBondContact O-CA 3.49Å; L489-Y606 WeakPolarHBondContact O-CD2 3.18Å; L489-Y606 PolarHBondContact O-N 3.25Å
490	Q	77.3	Confident	67.6	Low	107 Å²	107	46 Å²	46	50%	0.5	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	174.6	178.2	62	-173.9	8	0	0	111.1	D441 K488 Y604 E605	D441-Q490 VanDerWaalsContact OD1-C 3.3Å; K488-Q490 HydrophobicContact CG-CG 4.39Å; K488-Q490 PolarHBondContact O-N 3.44Å; Q490-Y604 CarbonylContact C-O 3.52Å; Q490-Y604 WeakPolarHBondContact CA-O 3.18Å; Q490-E605 HydrophobicContact CB-CB 4.45Å
491	G	73.8	Confident	67.5	Low	3 Å²	3	46.8 Å²	46.8	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-179.9	172.2	0	0	0	0	0	112.3	D441 S603 Y604	D441-G491 WeakPolarHBondContact OD1-CA 3.49Å; G491-S603 CarbonylContact O-C 3.47Å; G491-S603 WeakPolarHBondContact O-CA 3.45Å; G491-Y604 PolarHBondContact N-O 2.87Å; G491-Y604 WeakPolarHBondContact O-CD1 3.46Å; G491-Y604 PolarHBondContact O-N 3.36Å
492	T	73.1	Confident	67.8	Low	51 Å²	51	44.4 Å²	44.4	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.4	-176.1	61.7	0	0	0	0	113.5	K443 L602	K443-T492 WeakPolarHBondContact CD-O 3.4Å; K443-T492 WeakPolarHBondContact CE-O 3.43Å; K443-T492 WeakPolarHBondContact CG-O 3.34Å; T492-L602 CarbonylContact C-O 3.2Å; T492-L602 WeakPolarHBondContact CA-O 3.24Å
493	I	84.9	Confident	67.6	Low	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.8	173.6	-48.3	-174.3	0	0	0	109.5	K443 I482 Y510 I512 I585 F600 M601 L602 Y604	K443-I493 VanDerWaalsContact NZ-CB 3.32Å; K443-I493 VanDerWaalsContact NZ-CG1 3.32Å; K443-I493 VanDerWaalsContact NZ-CG2 3.29Å; I482-I493 HydrophobicContact CD1-CD1 3.49Å; I482-I493 VanDerWaalsContact CD1-CD1 3.49Å; I482-I493 HydrophobicContact CD1-CG1 3.97Å; I493-Y510 HydrophobicContact CD1-CD1 4.44Å; I493-Y510 HydrophobicContact CD1-CG 4.39Å; I493-Y510 HydrophobicContact CG2-CD1 3.87Å; I493-Y510 HydrophobicContact CG2-CD2 4.04Å; I493-Y510 HydrophobicContact CG2-CE1 3.7Å; I493-Y510 HydrophobicContact CG2-CE2 3.89Å; I493-Y510 HydrophobicContact CG2-CG 4.05Å; I493-I512 HydrophobicContact CD1-CD1 3.9Å; I493-I512 HydrophobicContact CD1-CG1 4.48Å; I493-I585 HydrophobicContact CD1-CD1 3.78Å; I493-F600 HydrophobicContact CG2-CE2 3.98Å; I493-F600 HydrophobicContact CG2-CZ 4.45Å; I493-M601 CarbonylContact O-C 3.51Å; I493-M601 WeakPolarHBondContact O-CA 3.37Å; I493-L602 HydrophobicContact CB-CD1 3.86Å; I493-L602 HydrophobicContact CB-CD2 4.22Å; I493-L602 HydrophobicContact CB-CG 3.82Å; I493-L602 HydrophobicContact CD1-CD1 4.01Å; I493-L602 HydrophobicContact CG1-CD1 3.82Å; I493-L602 HydrophobicContact CG1-CG 4.36Å; I493-L602 PolarHBondContact N-O 3.34Å; I493-L602 PolarHBondContact O-N 3.47Å; I493-Y604 HydrophobicContact CD1-CD1 4.31Å; I493-Y604 HydrophobicContact CG1-CD1 3.93Å; I493-Y604 HydrophobicContact CG1-CE1 4.15Å
494	K	79	Confident	67.5	Low	56 Å²	56	47.6 Å²	47.6	24%	0.243	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.3	179.1	-57.5	-178	-175.8	-170.5	0	110	Y498 Y510 F600 M601 Y648	K494-Y498 HydrophobicContact CB-CG 4.47Å; K494-Y498 HydrophobicContact CD-CD1 3.95Å; K494-Y498 HydrophobicContact CG-CD1 4.41Å; K494-Y510 PolarHBondContact O-OH 3.28Å; K494-Y510 VanDerWaalsContact O-OH 3.12Å; K494-F600 CarbonylContact C-O 3.46Å; K494-F600 VanDerWaalsContact CA-O 3.26Å; K494-F600 WeakPolarHBondContact CA-O 3.19Å; K494-M601 HydrophobicContact CD-SD 4.39Å; K494-M601 VanDerWaalsContact CE-SD 3.6Å; K494-M601 HydrophobicContact CG-CB 4.38Å; K494-M601 HydrophobicContact CG-CG 4.02Å; K494-M601 HydrophobicContact CG-SD 4.42Å; K494-Y648 PolarHBondContact NZ-O 3.37Å
495	S	80.3	Confident	67.3	Low	6 Å²	6	49.9 Å²	49.9	4%	0.042	29%	0.285	C	S	.	.			trans	-62.5	159.2	165.6	50.8	0	0	0	0	111	Y498 G599 F600	S495-Y498 PolarHBondContact O-N 3.31Å; S495-G599 VanDerWaalsContact OG-CA 3.26Å; S495-G599 WeakPolarHBondContact OG-CA 3.4Å; S495-F600 PolarHBondContact N-O 3.08Å; S495-F600 PolarHBondContact OG-N 3.09Å
496	P	71.7	Confident	67.5	Low	29 Å²	29	49 Å²	49	19%	0.188	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	144	170.5	-19.8	31.8	0	0	0	110.3	Y498 P503 L508	P496-Y498 PolarHBondContact O-N 3.48Å; P496-P503 HydrophobicContact CB-CG 4.05Å; P496-P503 HydrophobicContact CG-CG 4.38Å; P496-L508 HydrophobicContact CG-CD1 3.81Å; P496-L508 HydrophobicContact CG-CD2 3.56Å; P496-L508 HydrophobicContact CG-CG 4.37Å
497	N	63.5	Low	68.3	Low	104 Å²	104	47.4 Å²	47.4	56%	0.556	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-5	-179.4	-53.9	-23.9	0	0	0	117.3	S500 A501	N497-S500 CarbonylContact C-O 3.53Å; N497-S500 WeakPolarHBondContact O-CA 3.32Å; N497-S500 VanDerWaalsContact O-CB 3.23Å; N497-S500 WeakPolarHBondContact O-CB 3.41Å; N497-S500 PolarHBondContact O-N 3.24Å; N497-A501 WeakPolarHBondContact CB-O 3.34Å; N497-A501 PolarHBondContact ND2-O 2.82Å
498	Y	59.8	Low	69.8	Low	20 Å²	20	43.5 Å²	43.5	8%	0.078	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	130.4	-178.2	-176.7	-86	0	0	0	112.4	K494 S495 P496 D526 L598 M601 K650	K494-Y498 HydrophobicContact CB-CG 4.47Å; K494-Y498 HydrophobicContact CD-CD1 3.95Å; K494-Y498 HydrophobicContact CG-CD1 4.41Å; S495-Y498 PolarHBondContact O-N 3.31Å; P496-Y498 PolarHBondContact O-N 3.48Å; Y498-D526 HydrophobicContact CE2-CB 4.4Å; Y498-D526 PolarHBondContact OH-OD2 3.27Å; Y498-L598 VanDerWaalsContact CD2-O 3.24Å; Y498-L598 WeakPolarHBondContact CD2-O 2.99Å; Y498-M601 HydrophobicContact CE1-CB 4.19Å; Y498-M601 HydrophobicContact CE1-SD 4.2Å; Y498-M601 HydrophobicContact CE2-CB 4.42Å; Y498-K650 WeakPolarHBondContact OH-CE 3.36Å
499	P	56.1	Low	70.9	Confident	30 Å²	30	42.4 Å²	42.4	20%	0.195	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.1	22.1	9.9	40.7	-39.6	0	0	0	114.1	L598 G649 K650	P499-L598 WeakPolarHBondContact O-CB 3.31Å; P499-L598 WeakPolarHBondContact O-CD1 3.47Å; P499-L598 VanDerWaalsContact O-CD2 3.31Å; P499-L598 WeakPolarHBondContact O-CD2 3.37Å; P499-G649 WeakPolarHBondContact CD-O 3.5Å; P499-G649 WeakPolarHBondContact CG-O 3.43Å; P499-K650 HydrophobicContact CB-CG 4.5Å
500	S	60.7	Low	71.4	Confident	67 Å²	67	40 Å²	40	47%	0.469	22%	0.217	S	C	.	.	S	Bend	trans	-82.9	163.1	165.7	-56.1	0	0	0	0	110.4	N497 Y502	N497-S500 CarbonylContact C-O 3.53Å; N497-S500 WeakPolarHBondContact O-CA 3.32Å; N497-S500 VanDerWaalsContact O-CB 3.23Å; N497-S500 WeakPolarHBondContact O-CB 3.41Å; N497-S500 PolarHBondContact O-N 3.24Å; S500-Y502 PolarHBondContact O-N 2.88Å
501	A	65.4	Low	71.4	Confident	35 Å²	35	35 Å²	35	29%	0.289	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-54.8	134.4	178	0	0	0	0	0	111.7	N497 E597	N497-A501 WeakPolarHBondContact CB-O 3.34Å; N497-A501 PolarHBondContact ND2-O 2.82Å; A501-E597 VanDerWaalsContact CA-O 3.31Å; A501-E597 WeakPolarHBondContact CA-O 3.29Å
502	Y	71.6	Confident	71.9	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.02	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72	156.5	175.9	51.2	-94.5	0	0	0	110.8	S500 L529 G530 D544 F587 T589 T593 E597	S500-Y502 PolarHBondContact O-N 2.88Å; Y502-L529 HydrophobicContact CD1-CD2 4.17Å; Y502-L529 HydrophobicContact CE1-CD2 3.45Å; Y502-L529 VanDerWaalsContact CE1-CD2 3.45Å; Y502-L529 WeakPolarHBondContact OH-CA 3.17Å; Y502-G530 PolarHBondContact OH-N 3.44Å; Y502-G530 VanDerWaalsContact OH-N 3.09Å; Y502-D544 HydrophobicContact CE2-CB 4.4Å; Y502-D544 WeakPolarHBondContact CE2-OD2 3.43Å; Y502-D544 WeakPolarHBondContact OH-CB 3.29Å; Y502-D544 PolarHBondContact OH-OD2 2.82Å; Y502-F587 HydrophobicContact CD1-CZ 4.16Å; Y502-F587 HydrophobicContact CD2-CE1 4.44Å; Y502-F587 AromaticContact CD2-CZ 3.93Å; Y502-F587 HydrophobicContact CD2-CZ 3.93Å; Y502-F587 HydrophobicContact CE1-CZ 4.43Å; Y502-F587 HydrophobicContact CE2-CZ 4.21Å; Y502-F587 HydrophobicContact CG-CE1 4.29Å; Y502-F587 AromaticContact CG-CZ 3.88Å; Y502-F587 HydrophobicContact CG-CZ 3.88Å; Y502-T589 HydrophobicContact CD2-CG2 3.38Å; Y502-T589 HydrophobicContact CE2-CG2 3.49Å; Y502-T589 VanDerWaalsContact CE2-CG2 3.49Å; Y502-T589 HydrophobicContact CG-CG2 4.34Å; Y502-T593 HydrophobicContact CD1-CG2 4.47Å; Y502-T593 HydrophobicContact CD2-CG2 3.58Å; Y502-T593 HydrophobicContact CE1-CG2 4.24Å; Y502-T593 HydrophobicContact CE2-CG2 3.3Å; Y502-T593 HydrophobicContact CG-CG2 4.2Å; Y502-T593 WeakPolarHBondContact O-CG2 3.27Å; Y502-E597 WeakPolarHBondContact CD1-O 3.2Å; Y502-E597 HydrophobicContact CE1-CB 3.72Å; Y502-E597 WeakPolarHBondContact CE1-O 3.39Å
503	P	67.9	Low	72.1	Confident	44 Å²	44	32.6 Å²	32.6	29%	0.286	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-68	148.6	176.6	24.6	-31.3	0	0	0	112.9	P496 C506 T589	P496-P503 HydrophobicContact CB-CG 4.05Å; P496-P503 HydrophobicContact CG-CG 4.38Å; P503-C506 VanDerWaalsContact CB-SG 3.59Å; P503-C506 HydrophobicContact CG-CB 4.35Å; P503-C506 WeakPolarHBondContact CG-SG 3.24Å; P503-T589 PolarHBondContact O-OG1 3.04Å
504	Q	69	Low	71.6	Confident	99 Å²	99	32.6 Å²	32.6	46%	0.463	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	156	173.4	-69.5	167.2	13.6	0	0	111.3	C506 D590 H591 T593	Q504-C506 PolarHBondContact O-N 2.9Å; Q504-D590 CarbonylContact C-O 3.57Å; Q504-D590 WeakPolarHBondContact CA-O 3.06Å; Q504-H591 PolarHBondContact OE1-O 2.9Å; Q504-T593 WeakPolarHBondContact CG-OG1 3.49Å
505	N	64.1	Low	71	Confident	85 Å²	85	31.4 Å²	31.4	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.6	173.7	-61.7	-56.2	0	0	0	114.1	Q477 T589 D590 H591	Q477-N505 PolarHBondContact NE2-O 3.06Å; N505-T589 WeakPolarHBondContact CA-O 3.36Å; N505-T589 PolarHBondContact N-OG1 2.87Å; N505-D590 PolarHBondContact N-O 2.72Å; N505-H591 WeakPolarHBondContact OD1-CA 3.49Å; N505-H591 PolarHBondContact OD1-N 3.43Å
506	C	68.3	Low	70.5	Confident	15 Å²	15	37 Å²	37	10%	0.101	20%	0.2	C	C	.	.			trans	-92.8	144	-175	-79.9	0	0	0	0	113.9	Q477 P503 Q504 L508 I588 T589	Q477-C506 PolarHBondContact OE1-SG 3.12Å; Q477-C506 VanDerWaalsContact OE1-SG 3.38Å; P503-C506 VanDerWaalsContact CB-SG 3.59Å; P503-C506 HydrophobicContact CG-CB 4.35Å; P503-C506 WeakPolarHBondContact CG-SG 3.24Å; Q504-C506 PolarHBondContact O-N 2.9Å; C506-L508 HydrophobicContact CB-CD1 3.74Å; C506-I588 CarbonylContact O-C 3.54Å; C506-I588 WeakPolarHBondContact O-CA 3.32Å; C506-T589 WeakPolarHBondContact CA-OG1 3.17Å; C506-T589 HydrophobicContact CB-CG2 4.43Å; C506-T589 WeakPolarHBondContact CB-OG1 3.12Å; C506-T589 PolarHBondContact N-OG1 2.71Å; C506-T589 PolarHBondContact O-N 2.78Å
507	R	73	Confident	70.5	Confident	69 Å²	69	43.6 Å²	43.6	26%	0.26	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	102	175.9	-73.6	175.4	-176.8	122.1	6.3	109.8	T475 I476 Q477 Q478 Y586 F587 I588	T475-R507 WeakPolarHBondContact O-CD 3.39Å; I476-R507 WeakPolarHBondContact CG2-O 3.18Å; Q477-R507 PolarHBondContact N-O 3.16Å; Q478-R507 PolarHBondContact N-O 3.3Å; R507-Y586 HydrophobicContact CB-CE2 4Å; R507-Y586 WeakPolarHBondContact CD-OH 3.36Å; R507-Y586 HydrophobicContact CG-CE2 4.43Å; R507-F587 WeakPolarHBondContact CA-O 3.13Å; R507-I588 HydrophobicContact CG-CG2 4.32Å
508	L	78.4	Confident	71.2	Confident	4 Å²	4	42 Å²	42	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	-177.8	-68.5	95.5	0	0	0	111.3	Q478 P496 C506 Y510 Y586 F587	Q478-L508 HydrophobicContact CB-CD2 4.18Å; Q478-L508 HydrophobicContact CB-CG 4.09Å; Q478-L508 HydrophobicContact CG-CD2 4.46Å; Q478-L508 CarbonylContact O-C 3.51Å; Q478-L508 WeakPolarHBondContact O-CA 3.18Å; Q478-L508 VanDerWaalsContact OE1-CD2 3.28Å; P496-L508 HydrophobicContact CG-CD1 3.81Å; P496-L508 HydrophobicContact CG-CD2 3.56Å; P496-L508 HydrophobicContact CG-CG 4.37Å; C506-L508 HydrophobicContact CB-CD1 3.74Å; L508-Y510 HydrophobicContact CB-CE2 4.26Å; L508-Y586 CarbonylContact O-C 3.56Å; L508-Y586 WeakPolarHBondContact O-CA 3.35Å; L508-Y586 WeakPolarHBondContact O-CD2 3.48Å; L508-F587 HydrophobicContact CB-CB 4.37Å; L508-F587 HydrophobicContact CD1-CD1 3.94Å; L508-F587 PolarHBondContact N-O 2.81Å; L508-F587 PolarHBondContact O-N 3.05Å
509	L	79.6	Confident	72.2	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.3	178.4	-175	72.2	0	0	0	110.8	I476 Q478 I479 N480 Y553 Y584 Y586	I476-L509 HydrophobicContact CD1-CB 3.97Å; I476-L509 HydrophobicContact CD1-CD2 3.64Å; I476-L509 HydrophobicContact CD1-CG 4.29Å; I476-L509 HydrophobicContact CG2-CB 3.8Å; Q478-L509 PolarHBondContact O-N 3.18Å; I479-L509 CarbonylContact C-O 3.57Å; I479-L509 VanDerWaalsContact CA-O 3.29Å; I479-L509 WeakPolarHBondContact CA-O 3.21Å; I479-L509 HydrophobicContact CG1-CB 4.32Å; I479-L509 HydrophobicContact CG2-CD2 4.4Å; N480-L509 PolarHBondContact N-O 2.83Å; L509-Y553 HydrophobicContact CD1-CD1 4.16Å; L509-Y553 HydrophobicContact CD1-CG 4.24Å; L509-Y553 HydrophobicContact CD2-CD1 3.86Å; L509-Y553 HydrophobicContact CD2-CE1 3.44Å; L509-Y553 VanDerWaalsContact CD2-CE1 3.44Å; L509-Y584 HydrophobicContact CD1-CD1 4.31Å; L509-Y584 HydrophobicContact CD2-CD1 4.22Å; L509-Y584 HydrophobicContact CG-CD1 4.45Å; L509-Y586 HydrophobicContact CB-CD2 4.27Å; L509-Y586 HydrophobicContact CD1-CD2 4.05Å; L509-Y586 HydrophobicContact CD1-CG 4.13Å
510	Y	83.1	Confident	73.5	Confident	8 Å²	8	41.3 Å²	41.3	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.8	168.8	-55.4	-93.4	0	0	0	109.8	N480 I482 I493 K494 L508 Y584 I585 F600	N480-Y510 HydrophobicContact CB-CD1 3.51Å; N480-Y510 HydrophobicContact CB-CE1 3.85Å; N480-Y510 HydrophobicContact CB-CG 4.34Å; N480-Y510 WeakPolarHBondContact ND2-CE1 3.47Å; N480-Y510 CarbonylContact O-C 3.35Å; N480-Y510 VanDerWaalsContact O-CA 3.29Å; N480-Y510 WeakPolarHBondContact O-CA 3.2Å; I482-Y510 HydrophobicContact CD1-CD1 4.43Å; I493-Y510 HydrophobicContact CD1-CD1 4.44Å; I493-Y510 HydrophobicContact CD1-CG 4.39Å; I493-Y510 HydrophobicContact CG2-CD1 3.87Å; I493-Y510 HydrophobicContact CG2-CD2 4.04Å; I493-Y510 HydrophobicContact CG2-CE1 3.7Å; I493-Y510 HydrophobicContact CG2-CE2 3.89Å; I493-Y510 HydrophobicContact CG2-CG 4.05Å; K494-Y510 PolarHBondContact O-OH 3.28Å; K494-Y510 VanDerWaalsContact O-OH 3.12Å; L508-Y510 HydrophobicContact CB-CE2 4.26Å; Y510-Y584 CarbonylContact O-C 3.59Å; Y510-Y584 VanDerWaalsContact O-CA 3.3Å; Y510-Y584 WeakPolarHBondContact O-CA 3.42Å; Y510-I585 HydrophobicContact CD2-CB 4.4Å; Y510-I585 HydrophobicContact CD2-CG2 4.46Å; Y510-I585 PolarHBondContact N-O 2.76Å; Y510-I585 PolarHBondContact O-N 3.15Å; Y510-F600 HydrophobicContact CE2-CZ 4.31Å
511	T	77.2	Confident	74.5	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.2	176.4	-58.6	0	0	0	0	109.3	N480 H481 I482 R582 Y584	N480-T511 PolarHBondContact O-N 3.49Å; H481-T511 WeakPolarHBondContact CA-O 3.5Å; H481-T511 WeakPolarHBondContact ND1-CB 3.38Å; I482-T511 PolarHBondContact N-O 2.83Å; T511-R582 HydrophobicContact CG2-CB 4.36Å; T511-R582 HydrophobicContact CG2-CG 4.21Å; T511-Y584 HydrophobicContact CG2-CD1 4.04Å; T511-Y584 HydrophobicContact CG2-CE1 3.67Å; T511-Y584 WeakPolarHBondContact OG1-CD1 3.47Å
512	I	83.7	Confident	75.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.7	177.6	-53.2	173.3	0	0	0	109.2	I482 I493 L520 L522 R582 V583 I585 Y606	I482-I512 HydrophobicContact CB-CB 4.45Å; I482-I512 HydrophobicContact CB-CG1 4.08Å; I482-I512 HydrophobicContact CB-CG2 4.43Å; I482-I512 HydrophobicContact CD1-CG1 3.99Å; I482-I512 HydrophobicContact CG2-CG1 4.41Å; I482-I512 HydrophobicContact CG2-CG2 4.19Å; I482-I512 WeakPolarHBondContact O-CA 3.45Å; I493-I512 HydrophobicContact CD1-CD1 3.9Å; I493-I512 HydrophobicContact CD1-CG1 4.48Å; I512-L520 HydrophobicContact CB-CD2 4.07Å; I512-L520 HydrophobicContact CD1-CD2 3.94Å; I512-L520 HydrophobicContact CG2-CD1 4.05Å; I512-L520 HydrophobicContact CG2-CD2 3.63Å; I512-L522 HydrophobicContact CD1-CD2 4.09Å; I512-R582 WeakPolarHBondContact O-CA 3.41Å; I512-V583 HydrophobicContact CB-CB 4.44Å; I512-V583 PolarHBondContact N-O 2.81Å; I512-V583 PolarHBondContact O-N 2.94Å; I512-I585 HydrophobicContact CD1-CD1 3.74Å; I512-I585 HydrophobicContact CD1-CG1 4.5Å; I512-Y606 VanDerWaalsContact CG2-OH 3.25Å; I512-Y606 WeakPolarHBondContact CG2-OH 3.31Å
513	N	76	Confident	76	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.4	175.8	-59.5	-73.4	0	0	0	110.1	I482 W483 R582 Y606	I482-N513 PolarHBondContact O-N 2.85Å; I482-N513 PolarHBondContact O-ND2 2.88Å; I482-N513 VanDerWaalsContact O-ND2 3.16Å; W483-N513 HydrophobicContact CD2-CB 3.92Å; W483-N513 HydrophobicContact CE3-CB 3.44Å; W483-N513 VanDerWaalsContact CE3-CB 3.44Å; W483-N513 HydrophobicContact CH2-CB 4.4Å; W483-N513 WeakPolarHBondContact CZ2-ND2 3.31Å; W483-N513 HydrophobicContact CZ3-CB 3.71Å; N513-R582 VanDerWaalsContact OD1-CG 3.28Å; N513-R582 WeakPolarHBondContact OD1-CG 3.47Å; N513-R582 PolarHBondContact OD1-NE 2.93Å; N513-Y606 WeakPolarHBondContact O-CE1 3.13Å; N513-Y606 PolarHBondContact O-OH 2.81Å
514	I	76.2	Confident	76.6	Confident	0 Å²	0	43 Å²	43	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.9	177.5	-52.7	175	0	0	0	108.1	R518 L520 L574 N576 H581 V583 Y606	I514-R518 HydrophobicContact CG2-CB 4.13Å; I514-R518 WeakPolarHBondContact CG2-O 3.31Å; I514-L520 HydrophobicContact CD1-CB 3.39Å; I514-L520 HydrophobicContact CD1-CD2 3.86Å; I514-L520 HydrophobicContact CD1-CG 4.26Å; I514-L520 HydrophobicContact CG1-CB 3.91Å; I514-L520 HydrophobicContact CG1-CD2 4.15Å; I514-L574 HydrophobicContact CD1-CB 4.37Å; I514-N576 HydrophobicContact CG2-CB 3.98Å; I514-N576 PolarHBondContact O-ND2 3.45Å; I514-N576 VanDerWaalsContact O-ND2 3.15Å; I514-H581 PolarHBondContact N-O 2.79Å; I514-H581 PolarHBondContact O-N 2.96Å; I514-H581 VanDerWaalsContact O-N 3.16Å; I514-V583 HydrophobicContact CD1-CG2 3.58Å; I514-Y606 HydrophobicContact CG1-CE1 4.36Å
515	P	66.3	Low	76.9	Confident	31 Å²	31	41.2 Å²	41.2	20%	0.201	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	163	175.1	-23.5	35.1	0	0	0	112.9	M484 K517 R518 N576	M484-P515 HydrophobicContact CB-CG 3.83Å; M484-P515 HydrophobicContact CE-CB 4.48Å; M484-P515 HydrophobicContact CE-CG 3.83Å; M484-P515 HydrophobicContact SD-CG 3.95Å; P515-K517 PolarHBondContact O-N 3.43Å; P515-R518 HydrophobicContact CB-CG 4.39Å; P515-R518 PolarHBondContact O-N 3.47Å; P515-N576 VanDerWaalsContact C-ND2 3.26Å; P515-N576 PolarHBondContact O-ND2 2.8Å
516	K	68.4	Low	77.4	Confident	124 Å²	124	38.3 Å²	38.3	54%	0.539	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	138.9	176.4	-158.3	177.5	-179.6	165.9	0	111.2	R518 N576 E579	K516-R518 PolarHBondContact O-N 2.91Å; K516-N576 WeakPolarHBondContact CA-ND2 3.34Å; K516-E579 WeakPolarHBondContact CB-O 3.36Å
517	K	71.5	Confident	78.2	Confident	168 Å²	168	37.7 Å²	37.7	73%	0.73	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	14.3	178.8	-53.4	-178.7	179.6	178.4	0	116.1	P515	P515-K517 PolarHBondContact O-N 3.43Å
518	R	79	Confident	78.6	Confident	69 Å²	69	37 Å²	37	26%	0.26	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.5	172.2	-66.6	-73.6	-175.2	158.6	0.8	110.7	M484 I514 P515 K516 N576 S607	M484-R518 HydrophobicContact CE-CG 4.46Å; M484-R518 HydrophobicContact SD-CG 3.91Å; I514-R518 HydrophobicContact CG2-CB 4.13Å; I514-R518 WeakPolarHBondContact CG2-O 3.31Å; P515-R518 HydrophobicContact CB-CG 4.39Å; P515-R518 PolarHBondContact O-N 3.47Å; K516-R518 PolarHBondContact O-N 2.91Å; R518-N576 WeakPolarHBondContact O-CB 3.31Å; R518-S607 WeakPolarHBondContact CA-O 3.39Å
519	F	80.1	Confident	78.9	Confident	36 Å²	36	36.8 Å²	36.8	16%	0.158	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.7	173.7	-62.8	-90	0	0	0	109.2	M573 N575 Y606 S607 R609	F519-M573 HydrophobicContact CB-CE 4.1Å; F519-N575 HydrophobicContact CD1-CB 4.11Å; F519-N575 WeakPolarHBondContact CD1-OD1 3.46Å; F519-N575 HydrophobicContact CE1-CB 3.93Å; F519-N575 VanDerWaalsContact CE1-CG 3.5Å; F519-N575 WeakPolarHBondContact CE1-OD1 3.37Å; F519-Y606 CarbonylContact O-C 3.55Å; F519-Y606 VanDerWaalsContact O-CA 3.24Å; F519-Y606 WeakPolarHBondContact O-CA 3.12Å; F519-S607 PolarHBondContact N-O 2.86Å; F519-S607 PolarHBondContact O-N 2.86Å; F519-R609 HydrophobicContact CE2-CB 3.88Å; F519-R609 HydrophobicContact CE2-CG 4.32Å
520	L	85	Confident	78.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	174.6	-176.8	73.1	0	0	0	109	I512 I514 L522 L574 V583 Y604 Y606	I512-L520 HydrophobicContact CB-CD2 4.07Å; I512-L520 HydrophobicContact CD1-CD2 3.94Å; I512-L520 HydrophobicContact CG2-CD1 4.05Å; I512-L520 HydrophobicContact CG2-CD2 3.63Å; I514-L520 HydrophobicContact CD1-CB 3.39Å; I514-L520 HydrophobicContact CD1-CD2 3.86Å; I514-L520 HydrophobicContact CD1-CG 4.26Å; I514-L520 HydrophobicContact CG1-CB 3.91Å; I514-L520 HydrophobicContact CG1-CD2 4.15Å; L520-L522 HydrophobicContact CD2-CD2 4.05Å; L520-L522 HydrophobicContact CD2-CG 4.42Å; L520-L522 HydrophobicContact CG-CD2 4.12Å; L520-L522 HydrophobicContact CG-CG 4.48Å; L520-L574 HydrophobicContact CB-CB 4.35Å; L520-L574 HydrophobicContact CD2-CD1 4.11Å; L520-L574 PolarHBondContact N-O 3.34Å; L520-L574 VanDerWaalsContact N-O 3.15Å; L520-L574 PolarHBondContact O-N 3.33Å; L520-V583 HydrophobicContact CD2-CB 4.17Å; L520-V583 HydrophobicContact CD2-CG1 4.44Å; L520-V583 HydrophobicContact CD2-CG2 4.12Å; L520-Y604 HydrophobicContact CD1-CD2 4.38Å; L520-Y606 HydrophobicContact CD1-CD1 4Å; L520-Y606 HydrophobicContact CD1-CE1 3.83Å; L520-Y606 HydrophobicContact CD1-CE2 4.35Å; L520-Y606 HydrophobicContact CD1-CG 4.35Å
521	R	81	Confident	77.7	Confident	77 Å²	77	40.7 Å²	40.7	29%	0.291	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.3	173	-176.8	-176.6	-161	178.8	7.8	108.8	Q571 I572 M573 Y604 E605	R521-Q571 HydrophobicContact CG-CB 4.25Å; R521-Q571 VanDerWaalsContact NE-NE2 3.19Å; R521-Q571 VanDerWaalsContact NH2-CD 3.34Å; R521-I572 WeakPolarHBondContact CA-O 3.39Å; R521-M573 HydrophobicContact CB-CE 3.97Å; R521-M573 HydrophobicContact CB-SD 3.57Å; R521-M573 VanDerWaalsContact CB-SD 3.57Å; R521-M573 HydrophobicContact CG-SD 3.55Å; R521-M573 VanDerWaalsContact CG-SD 3.55Å; R521-Y604 CarbonylContact O-C 3.54Å; R521-Y604 VanDerWaalsContact O-CA 3.22Å; R521-Y604 WeakPolarHBondContact O-CA 3.26Å; R521-E605 HydrophobicContact CB-CB 4.29Å; R521-E605 WeakPolarHBondContact CD-OE2 3.47Å; R521-E605 IonicContact CZ-OE2 3.77Å; R521-E605 PolarHBondContact N-O 3.44Å; R521-E605 IonicContact NH1-OE2 2.8Å; R521-E605 PolarHBondContact NH1-OE2 2.89Å; R521-E605 PolarHBondContact O-N 3.3Å
522	L	86.1	Confident	76.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.3	171.8	-56.6	177.2	0	0	0	109.8	I512 L520 I548 I572 L574 I585 L602 S603	I512-L522 HydrophobicContact CD1-CD2 4.09Å; L520-L522 HydrophobicContact CD2-CD2 4.05Å; L520-L522 HydrophobicContact CD2-CG 4.42Å; L520-L522 HydrophobicContact CG-CD2 4.12Å; L520-L522 HydrophobicContact CG-CG 4.48Å; L522-I548 HydrophobicContact CD1-CD1 4.29Å; L522-I548 HydrophobicContact CD1-CG2 4.43Å; L522-I572 HydrophobicContact CB-CB 4.28Å; L522-I572 PolarHBondContact N-O 3.14Å; L522-I572 PolarHBondContact O-N 3.02Å; L522-L574 HydrophobicContact CD1-CD1 3.7Å; L522-L574 HydrophobicContact CG-CD1 4.11Å; L522-I585 HydrophobicContact CD1-CD1 4.04Å; L522-L602 HydrophobicContact CD2-CD1 4.15Å; L522-S603 WeakPolarHBondContact CA-O 3.31Å
523	K	81.3	Confident	76	Confident	98 Å²	98	49.4 Å²	49.4	43%	0.426	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.9	174.4	-175.5	-170.8	-173.9	179.4	0	109.5	Q571 L602 S603	K523-Q571 HydrophobicContact CB-CG 4.08Å; K523-Q571 HydrophobicContact CG-CG 4.06Å; K523-L602 CarbonylContact O-C 3.59Å; K523-L602 WeakPolarHBondContact O-CA 3.47Å; K523-L602 WeakPolarHBondContact O-CB 3.26Å; K523-S603 PolarHBondContact N-O 2.71Å; K523-S603 PolarHBondContact O-N 3.36Å
524	F	81.1	Confident	75.3	Confident	12 Å²	12	52.4 Å²	52.4	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.5	170	-72.9	-94.9	0	0	0	109.4	I527 I546 I548 L562 V567 P568 I572 F600 L602	F524-I527 HydrophobicContact CB-CD1 3.98Å; F524-I527 HydrophobicContact CB-CG1 4.17Å; F524-I527 HydrophobicContact CD1-CD1 3.61Å; F524-I527 HydrophobicContact CD1-CG1 3.75Å; F524-I527 HydrophobicContact CE1-CD1 4.31Å; F524-I527 HydrophobicContact CG-CD1 3.86Å; F524-I527 HydrophobicContact CG-CG1 4.26Å; F524-I546 HydrophobicContact CE1-CD1 3.67Å; F524-I546 HydrophobicContact CZ-CD1 4.37Å; F524-I546 HydrophobicContact CZ-CG2 4.47Å; F524-I548 HydrophobicContact CE2-CD1 3.83Å; F524-I548 HydrophobicContact CZ-CD1 3.93Å; F524-L562 HydrophobicContact CD1-CD1 4.11Å; F524-L562 HydrophobicContact CD2-CD1 3.75Å; F524-L562 HydrophobicContact CE1-CD1 3.77Å; F524-L562 HydrophobicContact CE2-CD1 3.4Å; F524-L562 VanDerWaalsContact CE2-CD1 3.4Å; F524-L562 HydrophobicContact CG-CD1 4.1Å; F524-L562 HydrophobicContact CZ-CD1 3.41Å; F524-L562 VanDerWaalsContact CZ-CD1 3.41Å; F524-V567 HydrophobicContact CB-CG1 3.82Å; F524-V567 WeakPolarHBondContact O-CG1 3.24Å; F524-P568 HydrophobicContact CD2-CG 4.46Å; F524-I572 HydrophobicContact CE2-CD1 4.07Å; F524-F600 HydrophobicContact CE1-CD2 4.26Å; F524-L602 HydrophobicContact CD1-CB 3.74Å; F524-L602 HydrophobicContact CD1-CD2 4.19Å; F524-L602 HydrophobicContact CD2-CB 4.39Å; F524-L602 HydrophobicContact CE1-CB 3.91Å; F524-L602 HydrophobicContact CE1-CD2 3.45Å; F524-L602 VanDerWaalsContact CE1-CD2 3.45Å; F524-L602 HydrophobicContact CE1-CG 4.3Å; F524-L602 HydrophobicContact CE2-CD2 4.24Å; F524-L602 HydrophobicContact CG-CB 3.99Å; F524-L602 HydrophobicContact CZ-CB 4.3Å; F524-L602 HydrophobicContact CZ-CD2 3.47Å; F524-L602 VanDerWaalsContact CZ-CD2 3.47Å; F524-L602 HydrophobicContact CZ-CG 4.49Å
525	S	75.2	Confident	74.5	Confident	61 Å²	61	54.7 Å²	54.7	43%	0.427	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-32.2	173.2	52.7	0	0	0	0	111.8	M601	S525-M601 PolarHBondContact N-O 2.67Å; S525-M601 WeakPolarHBondContact OG-CB 3.26Å; S525-M601 WeakPolarHBondContact OG-CE 3.27Å; S525-M601 WeakPolarHBondContact OG-CG 3.46Å; S525-M601 PolarHBondContact OG-O 3.2Å
526	D	75.6	Confident	74.4	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	138.3	-176.2	-154.8	-8.8	0	0	0	109.8	Y498 F600 M601 K650	Y498-D526 HydrophobicContact CE2-CB 4.4Å; Y498-D526 PolarHBondContact OH-OD2 3.27Å; D526-F600 VanDerWaalsContact O-CA 3.27Å; D526-F600 WeakPolarHBondContact O-CA 3.31Å; D526-F600 WeakPolarHBondContact O-CB 3.12Å; D526-M601 HydrophobicContact CB-CB 4.34Å; D526-M601 PolarHBondContact N-O 2.93Å; D526-M601 PolarHBondContact O-N 2.94Å; D526-K650 IonicContact OD2-NZ 3.5Å; D526-K650 PolarHBondContact OD2-NZ 2.8Å
527	I	84.6	Confident	74.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	123.8	174.9	-56.1	-178.3	0	0	0	106.4	F524 L529 L562 G564 T565 V567 G599 F600	F524-I527 HydrophobicContact CB-CD1 3.98Å; F524-I527 HydrophobicContact CB-CG1 4.17Å; F524-I527 HydrophobicContact CD1-CD1 3.61Å; F524-I527 HydrophobicContact CD1-CG1 3.75Å; F524-I527 HydrophobicContact CE1-CD1 4.31Å; F524-I527 HydrophobicContact CG-CD1 3.86Å; F524-I527 HydrophobicContact CG-CG1 4.26Å; I527-L529 HydrophobicContact CG2-CB 4.43Å; I527-L529 HydrophobicContact CG2-CD1 3.93Å; I527-L529 HydrophobicContact CG2-CG 3.86Å; I527-L562 HydrophobicContact CD1-CB 4.23Å; I527-L562 HydrophobicContact CD1-CD1 3.8Å; I527-L562 HydrophobicContact CD1-CG 4.43Å; I527-G564 WeakPolarHBondContact CG2-O 3.29Å; I527-T565 CarbonylContact O-C 3.48Å; I527-T565 WeakPolarHBondContact O-CA 3.03Å; I527-V567 HydrophobicContact CB-CG2 4.45Å; I527-V567 HydrophobicContact CG1-CG2 4.25Å; I527-G599 CarbonylContact C-O 3.59Å; I527-F600 HydrophobicContact CG1-CB 4.49Å
528	Q	81.5	Confident	74.8	Confident	54 Å²	54	52.6 Å²	52.6	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	78.6	175.8	-63.7	-178.2	-65.8	0	0	108.1	T565 E597 L598 G599	Q528-T565 HydrophobicContact CG-CG2 4.34Å; Q528-E597 CarbonylContact O-C 3.53Å; Q528-E597 WeakPolarHBondContact O-CA 3.36Å; Q528-L598 VanDerWaalsContact OE1-CB 3.31Å; Q528-L598 VanDerWaalsContact OE1-CD1 3.29Å; Q528-L598 VanDerWaalsContact OE1-CG 3.31Å; Q528-G599 PolarHBondContact N-O 2.86Å; Q528-G599 PolarHBondContact O-N 2.62Å
529	L	84.1	Confident	74.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-122.5	110.5	-171.8	-60.5	-178.1	0	0	0	111.7	Y502 I527 D544 I546 G564 F587 F600	Y502-L529 HydrophobicContact CD1-CD2 4.17Å; Y502-L529 HydrophobicContact CE1-CD2 3.45Å; Y502-L529 VanDerWaalsContact CE1-CD2 3.45Å; Y502-L529 WeakPolarHBondContact OH-CA 3.17Å; I527-L529 HydrophobicContact CG2-CB 4.43Å; I527-L529 HydrophobicContact CG2-CD1 3.93Å; I527-L529 HydrophobicContact CG2-CG 3.86Å; L529-D544 HydrophobicContact CB-CB 4.2Å; L529-I546 HydrophobicContact CD1-CD1 3.72Å; L529-I546 HydrophobicContact CD1-CG1 3.6Å; L529-G564 PolarHBondContact N-O 2.62Å; L529-G564 WeakPolarHBondContact O-CA 3.29Å; L529-G564 PolarHBondContact O-N 2.66Å; L529-F587 HydrophobicContact CD1-CE2 4.01Å; L529-F587 HydrophobicContact CD2-CE2 3.54Å; L529-F587 HydrophobicContact CD2-CZ 3.87Å; L529-F587 HydrophobicContact CG-CE2 4.42Å; L529-F600 HydrophobicContact CD2-CD1 4.44Å
530	G	73.6	Confident	74	Confident	16 Å²	16	55.5 Å²	55.5	17%	0.165	31%	0.305	C	S	.	.	S	Bend	trans	65.1	-161	179	0	0	0	0	0	114.3	Y502 E597	Y502-G530 PolarHBondContact OH-N 3.44Å; Y502-G530 VanDerWaalsContact OH-N 3.09Å; G530-E597 VanDerWaalsContact CA-CD 3.43Å; G530-E597 WeakPolarHBondContact CA-OE1 3.46Å
531	S	64.7	Low	73.1	Confident	77 Å²	77	63.3 Å²	63.3	54%	0.538	35%	0.346	S	S	.	.	S	Bend	trans	-58	150.4	175.6	55.2	0	0	0	0	113.7	L533 G564	S531-L533 PolarHBondContact O-N 2.88Å; S531-L533 WeakPolarHBondContact OG-CD1 3.42Å; S531-G564 WeakPolarHBondContact O-CA 3.45Å
532	N	60.3	Low	72.4	Confident	133 Å²	133	61.1 Å²	61.1	71%	0.711	34%	0.341	S	S	*	.			trans	-64.1	59.3	179.6	-77.4	-30.8	0	0	0	113.9	T565	N532-T565 VanDerWaalsContact OD1-CG2 3.26Å; N532-T565 WeakPolarHBondContact OD1-CG2 3.36Å; N532-T565 PolarHBondContact OD1-OG1 3.43Å
533	L	63.7	Low	72.1	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	35%	0.352	S	S	.	.			trans	-83.1	141	168.7	-84.9	90.4	0	0	0	110.3	S531 K537	S531-L533 PolarHBondContact O-N 2.88Å; S531-L533 WeakPolarHBondContact OG-CD1 3.42Å; L533-K537 HydrophobicContact CD2-CB 3.79Å; L533-K537 HydrophobicContact CD2-CD 4.49Å
534	P	61.5	Low	72.2	Confident	65 Å²	65	57.7 Å²	57.7	42%	0.422	33%	0.333	S	S	.	.			trans	-68	146.8	166.5	27.8	-32	0	0	0	110.7	T536 K537	P534-T536 PolarHBondContact O-N 2.83Å; P534-K537 HydrophobicContact CG-CD 4.09Å; P534-K537 HydrophobicContact CG-CG 4.13Å; P534-K537 PolarHBondContact O-N 2.96Å
535	S	60.8	Low	72.5	Confident	47 Å²	47	58.2 Å²	58.2	33%	0.329	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-50.2	-31.7	-178.1	56.1	0	0	0	0	114.5	K537 C538 S566	S535-K537 PolarHBondContact O-N 2.51Å; S535-C538 WeakPolarHBondContact O-CB 3.39Å; S535-C538 PolarHBondContact O-N 2.77Å; S535-C538 VanDerWaalsContact O-N 3.16Å; S535-C538 PolarHBondContact O-SG 2.74Å; S535-S566 WeakPolarHBondContact CA-OG 3.37Å; S535-S566 VanDerWaalsContact CB-OG 3.26Å; S535-S566 WeakPolarHBondContact CB-OG 3.29Å; S535-S566 PolarHBondContact N-OG 3.08Å
536	T	62.6	Low	73.3	Confident	128 Å²	128	55.3 Å²	55.3	79%	0.785	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.6	-18.9	178.9	53.5	0	0	0	0	114.2	P534	P534-T536 PolarHBondContact O-N 2.83Å
537	K	70.7	Confident	73.9	Confident	136 Å²	136	54.3 Å²	54.3	59%	0.591	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-98.1	2	176.4	-65.9	-172.7	178.1	-176	0	113.1	L533 P534 S535 T539	L533-K537 HydrophobicContact CD2-CB 3.79Å; L533-K537 HydrophobicContact CD2-CD 4.49Å; P534-K537 HydrophobicContact CG-CD 4.09Å; P534-K537 HydrophobicContact CG-CG 4.13Å; P534-K537 PolarHBondContact O-N 2.96Å; S535-K537 PolarHBondContact O-N 2.51Å; K537-T539 PolarHBondContact O-N 2.86Å
538	C	78.9	Confident	74.1	Confident	15 Å²	15	54.3 Å²	54.3	10%	0.101	31%	0.308	C	S	.	.			trans	-73.1	116.7	177.5	-60.1	0	0	0	0	110.5	S535 I561 C563	S535-C538 WeakPolarHBondContact O-CB 3.39Å; S535-C538 PolarHBondContact O-N 2.77Å; S535-C538 VanDerWaalsContact O-N 3.16Å; S535-C538 PolarHBondContact O-SG 2.74Å; C538-I561 HydrophobicContact CB-CB 4.45Å; C538-I561 HydrophobicContact CB-CG2 4.07Å; C538-C563 WeakPolarHBondContact CA-SG 3.38Å; C538-C563 HydrophobicContact CB-CB 3.92Å; C538-C563 WeakPolarHBondContact CB-SG 3.29Å; C538-C563 WeakPolarHBondContact SG-CA 3.3Å; C538-C563 WeakPolarHBondContact SG-CB 3.34Å; C538-C563 PolarHBondContact SG-N 2.76Å; C538-C563 PolarHBondContact SG-O 2.81Å; C538-C563 CovalentContact SG-SG 2.03Å; C538-C563 PolarHBondContact SG-SG 2.93Å
539	T	76.5	Confident	74.2	Confident	73 Å²	73	51.8 Å²	51.8	45%	0.448	30%	0.296	S	S	.	.			trans	-120.1	168.3	177.1	70	0	0	0	0	110.2	K537 L541 V542	K537-T539 PolarHBondContact O-N 2.86Å; T539-L541 PolarHBondContact O-N 2.92Å; T539-L541 PolarHBondContact OG1-N 2.87Å; T539-V542 PolarHBondContact O-N 2.91Å; T539-V542 VanDerWaalsContact O-N 3.16Å
540	Q	65.9	Low	73.9	Confident	93 Å²	93	54.8 Å²	54.8	44%	0.435	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.6	175.6	-62.7	180	5.4	0	0	113.6	R545 P558 I561	Q540-R545 PolarHBondContact O-NE 2.77Å; Q540-R545 PolarHBondContact O-NH2 2.98Å; Q540-P558 HydrophobicContact CG-CG 4.24Å; Q540-I561 HydrophobicContact CB-CD1 4.37Å; Q540-I561 HydrophobicContact CG-CD1 3.42Å; Q540-I561 VanDerWaalsContact CG-CD1 3.42Å
541	L	64.7	Low	73.7	Confident	165 Å²	165	59.5 Å²	59.5	86%	0.864	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-2.9	-179.5	-61.8	172.2	0	0	0	112.9	T539	T539-L541 PolarHBondContact O-N 2.92Å; T539-L541 PolarHBondContact OG1-N 2.87Å
542	V	67.8	Low	73.9	Confident	30 Å²	30	59.3 Å²	59.3	18%	0.182	32%	0.321	C	S	.	.	S	Bend	trans	-73.4	144	174.5	178.8	0	0	0	0	109.2	T539 R545 C563	T539-V542 PolarHBondContact O-N 2.91Å; T539-V542 VanDerWaalsContact O-N 3.16Å; V542-R545 WeakPolarHBondContact O-CD 3.18Å; V542-R545 PolarHBondContact O-NH1 2.87Å; V542-C563 HydrophobicContact CG1-CB 3.99Å
543	G	78.2	Confident	74.3	Confident	24 Å²	24	54.6 Å²	54.6	25%	0.247	29%	0.294	C	S	.	.	S	Bend	trans	-52.7	-93.3	-179.7	0	0	0	0	0	113.7	R545 D590	G543-R545 PolarHBondContact O-N 2.89Å; G543-R545 PolarHBondContact O-NH1 2.8Å; G543-R545 VanDerWaalsContact O-NH1 3.17Å; G543-D590 VanDerWaalsContact CA-OD2 3.22Å; G543-D590 WeakPolarHBondContact CA-OD2 3.43Å
544	D	83.9	Confident	74.1	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	30%	0.303	C	S	.	.	S	Bend	trans	-75.3	122.4	177.5	-61.8	-25.4	0	0	0	112.2	Y502 L529 C563 I588 T589 D590	Y502-D544 HydrophobicContact CE2-CB 4.4Å; Y502-D544 WeakPolarHBondContact CE2-OD2 3.43Å; Y502-D544 WeakPolarHBondContact OH-CB 3.29Å; Y502-D544 PolarHBondContact OH-OD2 2.82Å; L529-D544 HydrophobicContact CB-CB 4.2Å; D544-C563 WeakPolarHBondContact O-CB 3.34Å; D544-I588 WeakPolarHBondContact CA-O 3.29Å; D544-T589 WeakPolarHBondContact OD1-CA 3.49Å; D544-T589 VanDerWaalsContact OD1-CB 3.26Å; D544-T589 WeakPolarHBondContact OD1-CB 3.39Å; D544-D590 PolarHBondContact OD1-N 3.04Å
545	R	88.1	Confident	74.1	Confident	24 Å²	24	60.1 Å²	60.1	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	160.8	-176.9	64.8	-174	-172.6	-76.7	-0.1	114.3	Q540 V542 G543 E547 I561 L562 C563 F587 I588	Q540-R545 PolarHBondContact O-NE 2.77Å; Q540-R545 PolarHBondContact O-NH2 2.98Å; V542-R545 WeakPolarHBondContact O-CD 3.18Å; V542-R545 PolarHBondContact O-NH1 2.87Å; G543-R545 PolarHBondContact O-N 2.89Å; G543-R545 PolarHBondContact O-NH1 2.8Å; G543-R545 VanDerWaalsContact O-NH1 3.17Å; R545-E547 IonicContact CZ-OE1 3.18Å; R545-E547 IonicContact NE-OE1 2.73Å; R545-E547 PolarHBondContact NE-OE1 2.84Å; R545-E547 IonicContact NH2-OE1 2.91Å; R545-E547 PolarHBondContact NH2-OE1 3.32Å; R545-E547 VanDerWaalsContact NH2-OE1 3.15Å; R545-I561 HydrophobicContact CB-CG2 4.3Å; R545-L562 CarbonylContact C-O 3.48Å; R545-L562 WeakPolarHBondContact CA-O 3.29Å; R545-L562 WeakPolarHBondContact CB-O 3.49Å; R545-C563 HydrophobicContact CB-CB 4.29Å; R545-F587 WeakPolarHBondContact O-CD2 3.3Å; R545-I588 HydrophobicContact CG-CB 4.33Å; R545-I588 PolarHBondContact N-O 2.89Å; R545-I588 VanDerWaalsContact NH2-CD1 3.28Å; R545-I588 PolarHBondContact O-N 2.81Å
546	I	91	Very high	74.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.5	170.1	-55.7	167.7	0	0	0	108.5	F524 L529 I548 I561 L562 I585 Y586 F587 F600	F524-I546 HydrophobicContact CE1-CD1 3.67Å; F524-I546 HydrophobicContact CZ-CD1 4.37Å; F524-I546 HydrophobicContact CZ-CG2 4.47Å; L529-I546 HydrophobicContact CD1-CD1 3.72Å; L529-I546 HydrophobicContact CD1-CG1 3.6Å; I546-I548 HydrophobicContact CG2-CG1 4.31Å; I546-I561 CarbonylContact O-C 3.53Å; I546-I561 VanDerWaalsContact O-CA 3.29Å; I546-I561 WeakPolarHBondContact O-CA 2.95Å; I546-L562 HydrophobicContact CB-CB 4.3Å; I546-L562 PolarHBondContact N-O 3.42Å; I546-L562 PolarHBondContact O-N 3.21Å; I546-I585 HydrophobicContact CG2-CG2 3.53Å; I546-Y586 CarbonylContact C-O 3.54Å; I546-Y586 WeakPolarHBondContact CA-O 3.4Å; I546-F587 HydrophobicContact CG1-CD2 3.77Å; I546-F587 HydrophobicContact CG1-CE2 4.44Å; I546-F600 HydrophobicContact CD1-CB 3.85Å; I546-F600 HydrophobicContact CD1-CD1 3.45Å; I546-F600 VanDerWaalsContact CD1-CD1 3.45Å; I546-F600 HydrophobicContact CD1-CD2 3.78Å; I546-F600 HydrophobicContact CD1-CE1 3.87Å; I546-F600 HydrophobicContact CD1-CE2 4.16Å; I546-F600 HydrophobicContact CD1-CG 3.4Å; I546-F600 VanDerWaalsContact CD1-CG 3.4Å; I546-F600 HydrophobicContact CD1-CZ 4.2Å; I546-F600 HydrophobicContact CG1-CD1 4.02Å; I546-F600 HydrophobicContact CG1-CE1 4.08Å; I546-F600 HydrophobicContact CG1-CG 4.44Å
547	E	89.1	Confident	75.1	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.3	175.2	-62.7	175	175	0	0	109.3	R545 Y549 P558 L560 I561 I585 Y586 I588	R545-E547 IonicContact CZ-OE1 3.18Å; R545-E547 IonicContact NE-OE1 2.73Å; R545-E547 PolarHBondContact NE-OE1 2.84Å; R545-E547 IonicContact NH2-OE1 2.91Å; R545-E547 PolarHBondContact NH2-OE1 3.32Å; R545-E547 VanDerWaalsContact NH2-OE1 3.15Å; E547-Y549 HydrophobicContact CB-CD2 4.36Å; E547-Y549 HydrophobicContact CB-CE2 3.59Å; E547-Y549 PolarHBondContact OE2-OH 3.12Å; E547-P558 HydrophobicContact CB-CB 4.06Å; E547-L560 WeakPolarHBondContact CA-O 3.48Å; E547-I561 HydrophobicContact CG-CG1 4.49Å; E547-I585 CarbonylContact O-C 3.56Å; E547-I585 WeakPolarHBondContact O-CA 3.27Å; E547-Y586 PolarHBondContact N-O 2.94Å; E547-Y586 PolarHBondContact O-N 2.73Å; E547-Y586 WeakPolarHBondContact OE2-CD1 3.39Å; E547-I588 HydrophobicContact CG-CD1 4.39Å
548	I	88.8	Confident	75.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.2	178.1	-57.5	176.3	0	0	0	109.3	L522 F524 I546 P558 K559 L560 I572 V583 Y584 I585	L522-I548 HydrophobicContact CD1-CD1 4.29Å; L522-I548 HydrophobicContact CD1-CG2 4.43Å; F524-I548 HydrophobicContact CE2-CD1 3.83Å; F524-I548 HydrophobicContact CZ-CD1 3.93Å; I546-I548 HydrophobicContact CG2-CG1 4.31Å; I548-P558 CarbonylContact O-C 3.47Å; I548-P558 WeakPolarHBondContact O-CA 3.42Å; I548-K559 WeakPolarHBondContact O-CB 3.03Å; I548-K559 PolarHBondContact O-N 3.18Å; I548-L560 HydrophobicContact CB-CB 4.39Å; I548-L560 HydrophobicContact CD1-CD2 4.29Å; I548-L560 PolarHBondContact N-O 3.43Å; I548-L560 PolarHBondContact O-N 2.84Å; I548-I572 HydrophobicContact CD1-CD1 3.47Å; I548-I572 VanDerWaalsContact CD1-CD1 3.47Å; I548-V583 HydrophobicContact CG2-CG1 4.07Å; I548-Y584 CarbonylContact C-O 3.51Å; I548-Y584 WeakPolarHBondContact CA-O 3.39Å; I548-I585 HydrophobicContact CG1-CG1 4.39Å
549	Y	83.2	Confident	75.8	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.9	179.7	-59.8	-93.2	0	0	0	111.4	K474 E547 Q551 N556 P558 V583 Y584 Y586	K474-Y549 PolarHBondContact NZ-OH 3.49Å; K474-Y549 VanDerWaalsContact NZ-OH 3.09Å; E547-Y549 HydrophobicContact CB-CD2 4.36Å; E547-Y549 HydrophobicContact CB-CE2 3.59Å; E547-Y549 PolarHBondContact OE2-OH 3.12Å; Y549-Q551 VanDerWaalsContact C-N 3.29Å; Y549-Q551 WeakPolarHBondContact CB-O 3.23Å; Y549-N556 VanDerWaalsContact CE1-O 3.25Å; Y549-N556 WeakPolarHBondContact CE1-O 3.31Å; Y549-P558 HydrophobicContact CD1-CB 4.09Å; Y549-P558 VanDerWaalsContact CE1-CA 3.49Å; Y549-P558 HydrophobicContact CE1-CB 3.71Å; Y549-P558 HydrophobicContact CE1-CG 4.23Å; Y549-P558 VanDerWaalsContact CE1-N 3.26Å; Y549-P558 HydrophobicContact CE2-CB 4.28Å; Y549-V583 WeakPolarHBondContact O-CA 3.5Å; Y549-Y584 PolarHBondContact N-O 2.81Å; Y549-Y584 PolarHBondContact O-N 3.3Å; Y549-Y586 HydrophobicContact CE2-CD1 4.46Å
550	E	78.6	Confident	76.2	Confident	65 Å²	65	57.5 Å²	57.5	30%	0.304	30%	0.3	S	S	.	.	S	Bend	trans	-81.7	-8.9	167.7	-78.8	-176.7	164	0	0	112.7	K559 L574 H581	E550-K559 VanDerWaalsContact CD-CD 3.49Å; E550-K559 HydrophobicContact CG-CD 3.71Å; E550-K559 VanDerWaalsContact OE1-CD 3.27Å; E550-K559 WeakPolarHBondContact OE1-CD 3.31Å; E550-K559 WeakPolarHBondContact OE1-CE 3.25Å; E550-K559 IonicContact OE1-NZ 3.13Å; E550-K559 PolarHBondContact OE1-NZ 2.83Å; E550-L574 HydrophobicContact CG-CD2 3.44Å; E550-L574 VanDerWaalsContact CG-CD2 3.44Å; E550-L574 VanDerWaalsContact OE1-CD2 3.31Å; E550-L574 WeakPolarHBondContact OE1-CD2 3.3Å; E550-H581 PolarHBondContact O-CE1 2.82Å; E550-H581 PolarHBondContact O-NE2 2.72Å
551	Q	68.8	Low	77.2	Confident	114 Å²	114	54.4 Å²	54.4	53%	0.533	29%	0.287	S	S	.	.	S	Bend	trans	-140.4	-175.1	-176.1	-60.4	-175.2	22.9	0	0	109.4	Y549 Y553 N556 Y584	Y549-Q551 VanDerWaalsContact C-N 3.29Å; Y549-Q551 WeakPolarHBondContact CB-O 3.23Å; Q551-Y553 PolarHBondContact O-N 2.89Å; Q551-Y553 VanDerWaalsContact O-N 3.12Å; Q551-N556 HydrophobicContact CB-CB 4.43Å; Q551-N556 WeakPolarHBondContact CB-ND2 3.27Å; Q551-Y584 WeakPolarHBondContact O-CD2 3.43Å; Q551-Y584 VanDerWaalsContact O-CE2 3.29Å; Q551-Y584 WeakPolarHBondContact O-CE2 3.39Å
552	N	68.7	Low	78.2	Confident	74 Å²	74	46.7 Å²	46.7	40%	0.396	25%	0.246	S	C	.	.			trans	-51.2	120.7	177	-175.1	-11.7	0	0	0	111.4	L554 N556	N552-L554 VanDerWaalsContact C-N 3.27Å; N552-L554 PolarHBondContact O-N 2.83Å; N552-L554 PolarHBondContact OD1-N 2.91Å; N552-L554 VanDerWaalsContact OD1-N 3.12Å; N552-N556 PolarHBondContact N-ND2 2.92Å; N552-N556 VanDerWaalsContact O-CB 3.31Å; N552-N556 WeakPolarHBondContact O-CB 3.42Å; N552-N556 PolarHBondContact O-N 3.38Å; N552-N556 PolarHBondContact O-ND2 2.85Å
553	Y	69.6	Low	79	Confident	34 Å²	34	45.4 Å²	45.4	13%	0.133	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.2	-174.7	69.8	-85.4	0	0	0	114.6	K474 I476 L509 Q551 Y584	K474-Y553 HydrophobicContact CD-CD2 4.49Å; K474-Y553 PolarHBondContact NZ-O 2.8Å; I476-Y553 HydrophobicContact CD1-CE1 4.4Å; I476-Y553 HydrophobicContact CD1-CE2 3.54Å; I476-Y553 VanDerWaalsContact CD1-CZ 3.47Å; I476-Y553 WeakPolarHBondContact CD1-OH 3.35Å; L509-Y553 HydrophobicContact CD1-CD1 4.16Å; L509-Y553 HydrophobicContact CD1-CG 4.24Å; L509-Y553 HydrophobicContact CD2-CD1 3.86Å; L509-Y553 HydrophobicContact CD2-CE1 3.44Å; L509-Y553 VanDerWaalsContact CD2-CE1 3.44Å; Q551-Y553 PolarHBondContact O-N 2.89Å; Q551-Y553 VanDerWaalsContact O-N 3.12Å; Y553-Y584 AromaticContact CD1-CD1 3.93Å; Y553-Y584 HydrophobicContact CD1-CD1 3.93Å; Y553-Y584 HydrophobicContact CD1-CE1 4.28Å; Y553-Y584 HydrophobicContact CD1-CG 4.2Å
554	L	58	Low	79.2	Confident	91 Å²	91	44.3 Å²	44.3	48%	0.476	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-37.1	-177.3	-70.7	170.6	0	0	0	112.4	N552	N552-L554 VanDerWaalsContact C-N 3.27Å; N552-L554 PolarHBondContact O-N 2.83Å; N552-L554 PolarHBondContact OD1-N 2.91Å; N552-L554 VanDerWaalsContact OD1-N 3.12Å
555	N	61.9	Low	78.8	Confident	143 Å²	143	47.3 Å²	47.3	77%	0.765	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	2.1	-169.6	-66.2	-5.1	0	0	0	114.1
556	N	71.3	Confident	78	Confident	61 Å²	61	47.8 Å²	47.8	33%	0.326	25%	0.253	S	S	.	.	S	Bend	trans	-114.9	161.9	-177.8	-65.9	-54.1	0	0	0	111.6	Y549 Q551 N552	Y549-N556 VanDerWaalsContact CE1-O 3.25Å; Y549-N556 WeakPolarHBondContact CE1-O 3.31Å; Q551-N556 HydrophobicContact CB-CB 4.43Å; Q551-N556 WeakPolarHBondContact CB-ND2 3.27Å; N552-N556 PolarHBondContact N-ND2 2.92Å; N552-N556 VanDerWaalsContact O-CB 3.31Å; N552-N556 WeakPolarHBondContact O-CB 3.42Å; N552-N556 PolarHBondContact O-N 3.38Å; N552-N556 PolarHBondContact O-ND2 2.85Å
557	T	74.2	Confident	77.1	Confident	116 Å²	116	49.5 Å²	49.5	71%	0.712	26%	0.263	S	S	*	.			trans	-80.4	143.6	170.4	51.5	0	0	0	0	110.4
558	P	81.7	Confident	76.3	Confident	18 Å²	18	51 Å²	51	12%	0.117	27%	0.273	C	S	.	.			trans	-67.2	137.7	174.8	28.5	-31.2	0	0	0	109.6	Q540 E547 I548 Y549 L560 I561	Q540-P558 HydrophobicContact CG-CG 4.24Å; E547-P558 HydrophobicContact CB-CB 4.06Å; I548-P558 CarbonylContact O-C 3.47Å; I548-P558 WeakPolarHBondContact O-CA 3.42Å; Y549-P558 HydrophobicContact CD1-CB 4.09Å; Y549-P558 VanDerWaalsContact CE1-CA 3.49Å; Y549-P558 HydrophobicContact CE1-CB 3.71Å; Y549-P558 HydrophobicContact CE1-CG 4.23Å; Y549-P558 VanDerWaalsContact CE1-N 3.26Å; Y549-P558 HydrophobicContact CE2-CB 4.28Å; P558-L560 VanDerWaalsContact C-N 3.27Å; P558-I561 HydrophobicContact CB-CG1 4.09Å; P558-I561 HydrophobicContact CG-CD1 3.7Å; P558-I561 HydrophobicContact CG-CG1 3.59Å
559	K	82.5	Confident	74.9	Confident	94 Å²	94	59.8 Å²	59.8	41%	0.409	31%	0.314	S	S	.	.	S	Bend	trans	-64.3	-35	171.5	175.3	171.2	178.8	178.1	0	111.4	I548 E550 M573 L574	I548-K559 WeakPolarHBondContact O-CB 3.03Å; I548-K559 PolarHBondContact O-N 3.18Å; E550-K559 VanDerWaalsContact CD-CD 3.49Å; E550-K559 HydrophobicContact CG-CD 3.71Å; E550-K559 VanDerWaalsContact OE1-CD 3.27Å; E550-K559 WeakPolarHBondContact OE1-CD 3.31Å; E550-K559 WeakPolarHBondContact OE1-CE 3.25Å; E550-K559 IonicContact OE1-NZ 3.13Å; E550-K559 PolarHBondContact OE1-NZ 2.83Å; K559-M573 PolarHBondContact NZ-O 2.78Å; K559-L574 HydrophobicContact CD-CD2 3.72Å; K559-L574 VanDerWaalsContact NZ-CD2 3.29Å
560	L	84.7	Confident	74	Confident	54 Å²	54	67.7 Å²	67.7	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.4	179.4	-172.9	65.2	0	0	0	110.7	E547 I548 P558 L562 I572	E547-L560 WeakPolarHBondContact CA-O 3.48Å; I548-L560 HydrophobicContact CB-CB 4.39Å; I548-L560 HydrophobicContact CD1-CD2 4.29Å; I548-L560 PolarHBondContact N-O 3.43Å; I548-L560 PolarHBondContact O-N 2.84Å; P558-L560 VanDerWaalsContact C-N 3.27Å; L560-L562 HydrophobicContact CD1-CD2 4.28Å; L560-L562 HydrophobicContact CD2-CD1 4.02Å; L560-L562 HydrophobicContact CD2-CD2 3.86Å; L560-L562 HydrophobicContact CD2-CG 3.97Å; L560-L562 HydrophobicContact CG-CD2 3.97Å; L560-L562 HydrophobicContact CG-CG 4.06Å; L560-I572 HydrophobicContact CD2-CD1 3.27Å; L560-I572 HydrophobicContact CD2-CG1 4.03Å
561	I	85.4	Confident	73.3	Confident	29 Å²	29	68.1 Å²	68.1	15%	0.149	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.1	172.4	-52.4	176.8	0	0	0	107.6	C538 Q540 R545 I546 E547 P558	C538-I561 HydrophobicContact CB-CB 4.45Å; C538-I561 HydrophobicContact CB-CG2 4.07Å; Q540-I561 HydrophobicContact CB-CD1 4.37Å; Q540-I561 HydrophobicContact CG-CD1 3.42Å; Q540-I561 VanDerWaalsContact CG-CD1 3.42Å; R545-I561 HydrophobicContact CB-CG2 4.3Å; I546-I561 CarbonylContact O-C 3.53Å; I546-I561 VanDerWaalsContact O-CA 3.29Å; I546-I561 WeakPolarHBondContact O-CA 2.95Å; E547-I561 HydrophobicContact CG-CG1 4.49Å; P558-I561 HydrophobicContact CB-CG1 4.09Å; P558-I561 HydrophobicContact CG-CD1 3.7Å; P558-I561 HydrophobicContact CG-CG1 3.59Å
562	L	87.4	Confident	73.4	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.8	178.7	-58.4	173.2	0	0	0	110.1	F524 I527 R545 I546 L560 P568	F524-L562 HydrophobicContact CD1-CD1 4.11Å; F524-L562 HydrophobicContact CD2-CD1 3.75Å; F524-L562 HydrophobicContact CE1-CD1 3.77Å; F524-L562 HydrophobicContact CE2-CD1 3.4Å; F524-L562 VanDerWaalsContact CE2-CD1 3.4Å; F524-L562 HydrophobicContact CG-CD1 4.1Å; F524-L562 HydrophobicContact CZ-CD1 3.41Å; F524-L562 VanDerWaalsContact CZ-CD1 3.41Å; I527-L562 HydrophobicContact CD1-CB 4.23Å; I527-L562 HydrophobicContact CD1-CD1 3.8Å; I527-L562 HydrophobicContact CD1-CG 4.43Å; R545-L562 CarbonylContact C-O 3.48Å; R545-L562 WeakPolarHBondContact CA-O 3.29Å; R545-L562 WeakPolarHBondContact CB-O 3.49Å; I546-L562 HydrophobicContact CB-CB 4.3Å; I546-L562 PolarHBondContact N-O 3.42Å; I546-L562 PolarHBondContact O-N 3.21Å; L560-L562 HydrophobicContact CD1-CD2 4.28Å; L560-L562 HydrophobicContact CD2-CD1 4.02Å; L560-L562 HydrophobicContact CD2-CD2 3.86Å; L560-L562 HydrophobicContact CD2-CG 3.97Å; L560-L562 HydrophobicContact CG-CD2 3.97Å; L560-L562 HydrophobicContact CG-CG 4.06Å; L562-P568 HydrophobicContact CD1-CG 3.97Å; L562-P568 HydrophobicContact CD2-CG 3.5Å; L562-P568 VanDerWaalsContact CD2-CG 3.5Å; L562-P568 HydrophobicContact CG-CG 4.4Å
563	C	84.7	Confident	73.3	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	33%	0.325	C	S	.	.			trans	-156	168.5	177.7	75.5	0	0	0	0	108.2	C538 V542 D544 R545	C538-C563 WeakPolarHBondContact CA-SG 3.38Å; C538-C563 HydrophobicContact CB-CB 3.92Å; C538-C563 WeakPolarHBondContact CB-SG 3.29Å; C538-C563 WeakPolarHBondContact SG-CA 3.3Å; C538-C563 WeakPolarHBondContact SG-CB 3.34Å; C538-C563 PolarHBondContact SG-N 2.76Å; C538-C563 PolarHBondContact SG-O 2.81Å; C538-C563 CovalentContact SG-SG 2.03Å; C538-C563 PolarHBondContact SG-SG 2.93Å; V542-C563 HydrophobicContact CG1-CB 3.99Å; D544-C563 WeakPolarHBondContact O-CB 3.34Å; R545-C563 HydrophobicContact CB-CB 4.29Å
564	G	82.5	Confident	73.5	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.01	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	73.3	-148.4	-179.2	0	0	0	0	0	113.3	I527 L529 S531	I527-G564 WeakPolarHBondContact CG2-O 3.29Å; L529-G564 PolarHBondContact N-O 2.62Å; L529-G564 WeakPolarHBondContact O-CA 3.29Å; L529-G564 PolarHBondContact O-N 2.66Å; S531-G564 WeakPolarHBondContact O-CA 3.45Å
565	T	75.3	Confident	73.8	Confident	66 Å²	66	60.8 Å²	60.8	41%	0.405	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-1.3	-175.7	48.7	0	0	0	0	114.2	I527 Q528 N532 V567	I527-T565 CarbonylContact O-C 3.48Å; I527-T565 WeakPolarHBondContact O-CA 3.03Å; Q528-T565 HydrophobicContact CG-CG2 4.34Å; N532-T565 VanDerWaalsContact OD1-CG2 3.26Å; N532-T565 WeakPolarHBondContact OD1-CG2 3.36Å; N532-T565 PolarHBondContact OD1-OG1 3.43Å; T565-V567 PolarHBondContact O-N 3.49Å
566	S	69.6	Low	73.5	Confident	35 Å²	35	55 Å²	55	25%	0.245	29%	0.288	C	S	.	.			trans	-86.6	111.6	-174.4	59.5	0	0	0	0	112.1	S535	S535-S566 WeakPolarHBondContact CA-OG 3.37Å; S535-S566 VanDerWaalsContact CB-OG 3.26Å; S535-S566 WeakPolarHBondContact CB-OG 3.29Å; S535-S566 PolarHBondContact N-OG 3.08Å
567	V	73.8	Confident	72.7	Confident	35 Å²	35	61.2 Å²	61.2	21%	0.212	31%	0.312	C	S	.	.			trans	-72.6	131.1	169.5	-177.7	0	0	0	0	110.2	F524 I527 T565 Q569	F524-V567 HydrophobicContact CB-CG1 3.82Å; F524-V567 WeakPolarHBondContact O-CG1 3.24Å; I527-V567 HydrophobicContact CB-CG2 4.45Å; I527-V567 HydrophobicContact CG1-CG2 4.25Å; T565-V567 PolarHBondContact O-N 3.49Å; V567-Q569 PolarHBondContact O-N 2.85Å
568	P	71.1	Confident	71.3	Confident	34 Å²	34	62.2 Å²	62.2	22%	0.221	31%	0.307	C	S	.	.			trans	-53.2	133.7	172.7	-26.4	34.7	0	0	0	111.9	F524 L562 E570	F524-P568 HydrophobicContact CD2-CG 4.46Å; L562-P568 HydrophobicContact CD1-CG 3.97Å; L562-P568 HydrophobicContact CD2-CG 3.5Å; L562-P568 VanDerWaalsContact CD2-CG 3.5Å; L562-P568 HydrophobicContact CG-CG 4.4Å; P568-E570 VanDerWaalsContact C-N 3.31Å
569	Q	60.6	Low	69.6	Low	186 Å²	186	68.4 Å²	68.4	87%	0.869	33%	0.334	S	S	*	.	S	Bend	trans	-70.5	-31.4	176.3	-68	-176.9	-10.1	0	0	111.9	V567	V567-Q569 PolarHBondContact O-N 2.85Å
570	E	62.6	Low	68	Low	167 Å²	167	69.1 Å²	69.1	78%	0.78	34%	0.34	S	S	*	.	S	Bend	trans	-98.5	144.6	-179.1	-62.9	-176.9	178.9	0	0	111.8	P568	P568-E570 VanDerWaalsContact C-N 3.31Å
571	Q	65	Low	67.1	Low	73 Å²	73	67.5 Å²	67.5	34%	0.341	33%	0.331	S	S	.	.			trans	-82.4	142.8	173.4	-66.5	164.2	-39.9	0	0	110.2	R521 K523 M573	R521-Q571 HydrophobicContact CG-CB 4.25Å; R521-Q571 VanDerWaalsContact NE-NE2 3.19Å; R521-Q571 VanDerWaalsContact NH2-CD 3.34Å; K523-Q571 HydrophobicContact CB-CG 4.08Å; K523-Q571 HydrophobicContact CG-CG 4.06Å; Q571-M573 PolarHBondContact O-N 2.88Å
572	I	71.2	Confident	66.6	Low	18 Å²	18	69.9 Å²	69.9	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	-175.8	-49.9	166.1	0	0	0	108.2	R521 L522 F524 I548 L560 L574	R521-I572 WeakPolarHBondContact CA-O 3.39Å; L522-I572 HydrophobicContact CB-CB 4.28Å; L522-I572 PolarHBondContact N-O 3.14Å; L522-I572 PolarHBondContact O-N 3.02Å; F524-I572 HydrophobicContact CE2-CD1 4.07Å; I548-I572 HydrophobicContact CD1-CD1 3.47Å; I548-I572 VanDerWaalsContact CD1-CD1 3.47Å; L560-I572 HydrophobicContact CD2-CD1 3.27Å; L560-I572 HydrophobicContact CD2-CG1 4.03Å; I572-L574 HydrophobicContact CG2-CD1 4.31Å; I572-L574 HydrophobicContact CG2-CD2 3.99Å; I572-L574 HydrophobicContact CG2-CG 4.03Å
573	M	66.6	Low	66.5	Low	51 Å²	51	69.7 Å²	69.7	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.3	171.3	-63.5	-53.1	-48.4	0	0	110.5	F519 R521 K559 Q571 Y612	F519-M573 HydrophobicContact CB-CE 4.1Å; R521-M573 HydrophobicContact CB-CE 3.97Å; R521-M573 HydrophobicContact CB-SD 3.57Å; R521-M573 VanDerWaalsContact CB-SD 3.57Å; R521-M573 HydrophobicContact CG-SD 3.55Å; R521-M573 VanDerWaalsContact CG-SD 3.55Å; K559-M573 PolarHBondContact NZ-O 2.78Å; Q571-M573 PolarHBondContact O-N 2.88Å; M573-Y612 HydrophobicContact CE-CE2 4.21Å; M573-Y612 WeakPolarHBondContact CE-OH 3.39Å; M573-Y612 PolarHBondContact SD-OH 2.77Å
574	L	72.6	Confident	66.4	Low	0 Å²	0	71 Å²	71	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.5	-177.5	-59.3	159.1	0	0	0	108.3	I514 L520 L522 E550 K559 I572 V583	I514-L574 HydrophobicContact CD1-CB 4.37Å; L520-L574 HydrophobicContact CB-CB 4.35Å; L520-L574 HydrophobicContact CD2-CD1 4.11Å; L520-L574 PolarHBondContact N-O 3.34Å; L520-L574 VanDerWaalsContact N-O 3.15Å; L520-L574 PolarHBondContact O-N 3.33Å; L522-L574 HydrophobicContact CD1-CD1 3.7Å; L522-L574 HydrophobicContact CG-CD1 4.11Å; E550-L574 HydrophobicContact CG-CD2 3.44Å; E550-L574 VanDerWaalsContact CG-CD2 3.44Å; E550-L574 VanDerWaalsContact OE1-CD2 3.31Å; E550-L574 WeakPolarHBondContact OE1-CD2 3.3Å; K559-L574 HydrophobicContact CD-CD2 3.72Å; K559-L574 VanDerWaalsContact NZ-CD2 3.29Å; I572-L574 HydrophobicContact CG2-CD1 4.31Å; I572-L574 HydrophobicContact CG2-CD2 3.99Å; I572-L574 HydrophobicContact CG2-CG 4.03Å; L574-V583 HydrophobicContact CB-CG2 4.05Å; L574-V583 HydrophobicContact CD1-CB 4.21Å; L574-V583 HydrophobicContact CD1-CG1 3.63Å; L574-V583 HydrophobicContact CD1-CG2 3.63Å; L574-V583 HydrophobicContact CD2-CG2 4.45Å; L574-V583 HydrophobicContact CG-CG2 4.24Å
575	N	64.3	Low	66.8	Low	90 Å²	90	71 Å²	71	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.7	-170.6	-67.9	4.8	0	0	0	111.2	F519	F519-N575 HydrophobicContact CD1-CB 4.11Å; F519-N575 WeakPolarHBondContact CD1-OD1 3.46Å; F519-N575 HydrophobicContact CE1-CB 3.93Å; F519-N575 VanDerWaalsContact CE1-CG 3.5Å; F519-N575 WeakPolarHBondContact CE1-OD1 3.37Å
576	N	57.1	Low	67.4	Low	22 Å²	22	68 Å²	68	12%	0.118	32%	0.323	C	S	.	.			trans	-88.7	111.9	174.1	-172.9	4.8	0	0	0	112.2	I514 P515 K516 R518 F578 H581	I514-N576 HydrophobicContact CG2-CB 3.98Å; I514-N576 PolarHBondContact O-ND2 3.45Å; I514-N576 VanDerWaalsContact O-ND2 3.15Å; P515-N576 VanDerWaalsContact C-ND2 3.26Å; P515-N576 PolarHBondContact O-ND2 2.8Å; K516-N576 WeakPolarHBondContact CA-ND2 3.34Å; R518-N576 WeakPolarHBondContact O-CB 3.31Å; N576-F578 PolarHBondContact ND2-O 2.74Å; N576-F578 PolarHBondContact OD1-N 2.86Å; N576-F578 PolarHBondContact OD1-O 2.83Å; N576-H581 HydrophobicContact CB-CB 4.1Å; N576-H581 WeakPolarHBondContact OD1-CB 3.28Å
577	K	53.2	Low	68.4	Low	191 Å²	191	66.3 Å²	66.3	83%	0.83	31%	0.312	S	S	*	.			trans	-94.7	-10.1	170.1	-68.8	-174.7	-179.5	178.7	0	114.2
578	F	44.5	Very low	68.7	Low	138 Å²	138	65.1 Å²	65.1	61%	0.605	30%	0.304	S	S	*	.	S	Bend	trans	-114.1	172.7	-170.3	-61.6	-79.4	0	0	0	112.1	N576 M580	N576-F578 PolarHBondContact ND2-O 2.74Å; N576-F578 PolarHBondContact OD1-N 2.86Å; N576-F578 PolarHBondContact OD1-O 2.83Å; F578-M580 VanDerWaalsContact C-N 3.29Å; F578-M580 PolarHBondContact O-N 2.84Å
579	E	47.6	Very low	69.1	Low	148 Å²	148	63.8 Å²	63.8	69%	0.692	30%	0.295	S	S	*	.	S	Bend	trans	-63.1	-35.7	178.3	-66.9	-168.9	143.9	0	0	112.5	K516	K516-E579 WeakPolarHBondContact CB-O 3.36Å
580	M	47.4	Very low	69.6	Low	108 Å²	108	57.1 Å²	57.1	53%	0.532	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133	163.8	-61.1	-152.9	93.2	0	0	109.4	W483 F578	W483-M580 HydrophobicContact CZ3-CE 4.02Å; W483-M580 HydrophobicContact CZ3-SD 4.37Å; F578-M580 VanDerWaalsContact C-N 3.29Å; F578-M580 PolarHBondContact O-N 2.84Å
581	H	67.2	Low	69.8	Low	21 Å²	21	54.1 Å²	54.1	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.4	177.5	-174.4	73.1	0	0	0	110.1	I514 E550 N576	I514-H581 PolarHBondContact N-O 2.79Å; I514-H581 PolarHBondContact O-N 2.96Å; I514-H581 VanDerWaalsContact O-N 3.16Å; E550-H581 PolarHBondContact O-CE1 2.82Å; E550-H581 PolarHBondContact O-NE2 2.72Å; N576-H581 HydrophobicContact CB-CB 4.1Å; N576-H581 WeakPolarHBondContact OD1-CB 3.28Å
582	R	75.2	Confident	69.7	Low	78 Å²	78	55.4 Å²	55.4	29%	0.294	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.3	-178.6	-74.1	179.2	177.1	177.5	-3.1	109.9	T511 I512 N513 Y584	T511-R582 HydrophobicContact CG2-CB 4.36Å; T511-R582 HydrophobicContact CG2-CG 4.21Å; I512-R582 WeakPolarHBondContact O-CA 3.41Å; N513-R582 VanDerWaalsContact OD1-CG 3.28Å; N513-R582 WeakPolarHBondContact OD1-CG 3.47Å; N513-R582 PolarHBondContact OD1-NE 2.93Å; R582-Y584 HydrophobicContact CB-CE2 3.78Å; R582-Y584 WeakPolarHBondContact CD-OH 3.47Å
583	V	83.9	Confident	69.3	Low	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.5	170.7	171.6	0	0	0	0	107.7	I512 I514 L520 I548 Y549 L574	I512-V583 HydrophobicContact CB-CB 4.44Å; I512-V583 PolarHBondContact N-O 2.81Å; I512-V583 PolarHBondContact O-N 2.94Å; I514-V583 HydrophobicContact CD1-CG2 3.58Å; L520-V583 HydrophobicContact CD2-CB 4.17Å; L520-V583 HydrophobicContact CD2-CG1 4.44Å; L520-V583 HydrophobicContact CD2-CG2 4.12Å; I548-V583 HydrophobicContact CG2-CG1 4.07Å; Y549-V583 WeakPolarHBondContact O-CA 3.5Å; L574-V583 HydrophobicContact CB-CG2 4.05Å; L574-V583 HydrophobicContact CD1-CB 4.21Å; L574-V583 HydrophobicContact CD1-CG1 3.63Å; L574-V583 HydrophobicContact CD1-CG2 3.63Å; L574-V583 HydrophobicContact CD2-CG2 4.45Å; L574-V583 HydrophobicContact CG-CG2 4.24Å
584	Y	83.1	Confident	69	Low	30 Å²	30	55.4 Å²	55.4	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126	178.2	-53.4	-94.8	0	0	0	109.5	L509 Y510 T511 I548 Y549 Q551 Y553 R582	L509-Y584 HydrophobicContact CD1-CD1 4.31Å; L509-Y584 HydrophobicContact CD2-CD1 4.22Å; L509-Y584 HydrophobicContact CG-CD1 4.45Å; Y510-Y584 CarbonylContact O-C 3.59Å; Y510-Y584 VanDerWaalsContact O-CA 3.3Å; Y510-Y584 WeakPolarHBondContact O-CA 3.42Å; T511-Y584 HydrophobicContact CG2-CD1 4.04Å; T511-Y584 HydrophobicContact CG2-CE1 3.67Å; T511-Y584 WeakPolarHBondContact OG1-CD1 3.47Å; I548-Y584 CarbonylContact C-O 3.51Å; I548-Y584 WeakPolarHBondContact CA-O 3.39Å; Y549-Y584 PolarHBondContact N-O 2.81Å; Y549-Y584 PolarHBondContact O-N 3.3Å; Q551-Y584 WeakPolarHBondContact O-CD2 3.43Å; Q551-Y584 VanDerWaalsContact O-CE2 3.29Å; Q551-Y584 WeakPolarHBondContact O-CE2 3.39Å; Y553-Y584 AromaticContact CD1-CD1 3.93Å; Y553-Y584 HydrophobicContact CD1-CD1 3.93Å; Y553-Y584 HydrophobicContact CD1-CE1 4.28Å; Y553-Y584 HydrophobicContact CD1-CG 4.2Å; R582-Y584 HydrophobicContact CB-CE2 3.78Å; R582-Y584 WeakPolarHBondContact CD-OH 3.47Å
585	I	91	Very high	68.4	Low	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.6	171.7	-55.1	172.6	0	0	0	106.4	I493 Y510 I512 L522 I546 E547 I548 L602	I493-I585 HydrophobicContact CD1-CD1 3.78Å; Y510-I585 HydrophobicContact CD2-CB 4.4Å; Y510-I585 HydrophobicContact CD2-CG2 4.46Å; Y510-I585 PolarHBondContact N-O 2.76Å; Y510-I585 PolarHBondContact O-N 3.15Å; I512-I585 HydrophobicContact CD1-CD1 3.74Å; I512-I585 HydrophobicContact CD1-CG1 4.5Å; L522-I585 HydrophobicContact CD1-CD1 4.04Å; I546-I585 HydrophobicContact CG2-CG2 3.53Å; E547-I585 CarbonylContact O-C 3.56Å; E547-I585 WeakPolarHBondContact O-CA 3.27Å; I548-I585 HydrophobicContact CG1-CG1 4.39Å; I585-L602 HydrophobicContact CD1-CD2 4.06Å
586	Y	87.7	Confident	68.5	Low	2 Å²	2	62.3 Å²	62.3	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.8	-175.9	-172.8	-147.5	0	0	0	109.5	K474 I476 R507 L508 L509 I546 E547 Y549 I588	K474-Y586 HydrophobicContact CD-CE1 4.07Å; K474-Y586 HydrophobicContact CG-CE1 4.4Å; I476-Y586 HydrophobicContact CD1-CE2 4.49Å; I476-Y586 HydrophobicContact CG1-CE2 3.84Å; R507-Y586 HydrophobicContact CB-CE2 4Å; R507-Y586 WeakPolarHBondContact CD-OH 3.36Å; R507-Y586 HydrophobicContact CG-CE2 4.43Å; L508-Y586 CarbonylContact O-C 3.56Å; L508-Y586 WeakPolarHBondContact O-CA 3.35Å; L508-Y586 WeakPolarHBondContact O-CD2 3.48Å; L509-Y586 HydrophobicContact CB-CD2 4.27Å; L509-Y586 HydrophobicContact CD1-CD2 4.05Å; L509-Y586 HydrophobicContact CD1-CG 4.13Å; I546-Y586 CarbonylContact C-O 3.54Å; I546-Y586 WeakPolarHBondContact CA-O 3.4Å; E547-Y586 PolarHBondContact N-O 2.94Å; E547-Y586 PolarHBondContact O-N 2.73Å; E547-Y586 WeakPolarHBondContact OE2-CD1 3.39Å; Y549-Y586 HydrophobicContact CE2-CD1 4.46Å; Y586-I588 HydrophobicContact CD1-CD1 3.57Å; Y586-I588 HydrophobicContact CD1-CG1 3.85Å; Y586-I588 HydrophobicContact CD2-CG1 4.24Å; Y586-I588 HydrophobicContact CE1-CD1 3.37Å; Y586-I588 HydrophobicContact CE1-CG1 3.66Å; Y586-I588 HydrophobicContact CE2-CG1 4.05Å; Y586-I588 HydrophobicContact CG-CD1 4.31Å; Y586-I588 HydrophobicContact CG-CG1 4.13Å
587	F	90.1	Very high	69.3	Low	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.4	177.1	177.2	-129.3	0	0	0	109.7	Y502 R507 L508 L529 R545 I546 T589 F600	Y502-F587 HydrophobicContact CD1-CZ 4.16Å; Y502-F587 HydrophobicContact CD2-CE1 4.44Å; Y502-F587 AromaticContact CD2-CZ 3.93Å; Y502-F587 HydrophobicContact CD2-CZ 3.93Å; Y502-F587 HydrophobicContact CE1-CZ 4.43Å; Y502-F587 HydrophobicContact CE2-CZ 4.21Å; Y502-F587 HydrophobicContact CG-CE1 4.29Å; Y502-F587 AromaticContact CG-CZ 3.88Å; Y502-F587 HydrophobicContact CG-CZ 3.88Å; R507-F587 WeakPolarHBondContact CA-O 3.13Å; L508-F587 HydrophobicContact CB-CB 4.37Å; L508-F587 HydrophobicContact CD1-CD1 3.94Å; L508-F587 PolarHBondContact N-O 2.81Å; L508-F587 PolarHBondContact O-N 3.05Å; L529-F587 HydrophobicContact CD1-CE2 4.01Å; L529-F587 HydrophobicContact CD2-CE2 3.54Å; L529-F587 HydrophobicContact CD2-CZ 3.87Å; L529-F587 HydrophobicContact CG-CE2 4.42Å; R545-F587 WeakPolarHBondContact O-CD2 3.3Å; I546-F587 HydrophobicContact CG1-CD2 3.77Å; I546-F587 HydrophobicContact CG1-CE2 4.44Å; F587-T589 HydrophobicContact CD1-CG2 4.23Å; F587-T589 HydrophobicContact CD2-CG2 4.47Å; F587-T589 HydrophobicContact CE1-CG2 3.47Å; F587-T589 VanDerWaalsContact CE1-CG2 3.47Å; F587-T589 HydrophobicContact CE2-CG2 3.74Å; F587-T589 HydrophobicContact CZ-CG2 3.19Å; F587-F600 HydrophobicContact CB-CE1 3.95Å; F587-F600 HydrophobicContact CB-CZ 4.25Å; F587-F600 AromaticContact CD1-CE1 3.78Å; F587-F600 HydrophobicContact CD1-CE1 3.78Å; F587-F600 HydrophobicContact CD2-CD1 4.1Å; F587-F600 AromaticContact CD2-CE1 3.61Å; F587-F600 HydrophobicContact CD2-CE1 3.61Å; F587-F600 HydrophobicContact CE1-CE1 4.12Å; F587-F600 HydrophobicContact CE2-CD1 4.1Å; F587-F600 AromaticContact CE2-CE1 3.98Å; F587-F600 HydrophobicContact CE2-CE1 3.98Å; F587-F600 HydrophobicContact CG-CD1 4.4Å; F587-F600 AromaticContact CG-CE1 3.5Å; F587-F600 HydrophobicContact CG-CE1 3.5Å; F587-F600 HydrophobicContact CG-CZ 4.28Å; F587-F600 HydrophobicContact CZ-CD1 4.36Å; F587-F600 HydrophobicContact CZ-CE1 4.21Å
588	I	81.8	Confident	70.4	Confident	11 Å²	11	55.4 Å²	55.4	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131	-173.9	-53.2	167.7	0	0	0	107.4	C506 R507 D544 R545 E547 Y586	C506-I588 CarbonylContact O-C 3.54Å; C506-I588 WeakPolarHBondContact O-CA 3.32Å; R507-I588 HydrophobicContact CG-CG2 4.32Å; D544-I588 WeakPolarHBondContact CA-O 3.29Å; R545-I588 HydrophobicContact CG-CB 4.33Å; R545-I588 PolarHBondContact N-O 2.89Å; R545-I588 VanDerWaalsContact NH2-CD1 3.28Å; R545-I588 PolarHBondContact O-N 2.81Å; E547-I588 HydrophobicContact CG-CD1 4.39Å; Y586-I588 HydrophobicContact CD1-CD1 3.57Å; Y586-I588 HydrophobicContact CD1-CG1 3.85Å; Y586-I588 HydrophobicContact CD2-CG1 4.24Å; Y586-I588 HydrophobicContact CE1-CD1 3.37Å; Y586-I588 HydrophobicContact CE1-CG1 3.66Å; Y586-I588 HydrophobicContact CE2-CG1 4.05Å; Y586-I588 HydrophobicContact CG-CD1 4.31Å; Y586-I588 HydrophobicContact CG-CG1 4.13Å
589	T	79.1	Confident	72.3	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.031	25%	0.249	C	C	.	.			trans	-122.9	148.9	175	72.5	0	0	0	0	111.1	Y502 P503 N505 C506 D544 F587	Y502-T589 HydrophobicContact CD2-CG2 3.38Å; Y502-T589 HydrophobicContact CE2-CG2 3.49Å; Y502-T589 VanDerWaalsContact CE2-CG2 3.49Å; Y502-T589 HydrophobicContact CG-CG2 4.34Å; P503-T589 PolarHBondContact O-OG1 3.04Å; N505-T589 WeakPolarHBondContact CA-O 3.36Å; N505-T589 PolarHBondContact N-OG1 2.87Å; C506-T589 WeakPolarHBondContact CA-OG1 3.17Å; C506-T589 HydrophobicContact CB-CG2 4.43Å; C506-T589 WeakPolarHBondContact CB-OG1 3.12Å; C506-T589 PolarHBondContact N-OG1 2.71Å; C506-T589 PolarHBondContact O-N 2.78Å; D544-T589 WeakPolarHBondContact OD1-CA 3.49Å; D544-T589 VanDerWaalsContact OD1-CB 3.26Å; D544-T589 WeakPolarHBondContact OD1-CB 3.39Å; F587-T589 HydrophobicContact CD1-CG2 4.23Å; F587-T589 HydrophobicContact CD2-CG2 4.47Å; F587-T589 HydrophobicContact CE1-CG2 3.47Å; F587-T589 VanDerWaalsContact CE1-CG2 3.47Å; F587-T589 HydrophobicContact CE2-CG2 3.74Å; F587-T589 HydrophobicContact CZ-CG2 3.19Å
590	D	71	Confident	74.1	Confident	47 Å²	47	41.8 Å²	41.8	25%	0.251	22%	0.216	S	C	.	.			trans	-93.6	-168	178.7	73.3	27.8	0	0	0	112	Q504 N505 G543 D544 I592	Q504-D590 CarbonylContact C-O 3.57Å; Q504-D590 WeakPolarHBondContact CA-O 3.06Å; N505-D590 PolarHBondContact N-O 2.72Å; G543-D590 VanDerWaalsContact CA-OD2 3.22Å; G543-D590 WeakPolarHBondContact CA-OD2 3.43Å; D544-D590 PolarHBondContact OD1-N 3.04Å; D590-I592 PolarHBondContact O-N 3.06Å; D590-I592 WeakPolarHBondContact OD1-CA 3.42Å; D590-I592 PolarHBondContact OD1-N 2.8Å
591	H	67.1	Low	75.7	Confident	104 Å²	104	37.7 Å²	37.7	48%	0.481	20%	0.196	S	C	.	.	S	Bend	trans	-82	3.4	-176.8	64.4	-75.3	0	0	0	113.7	Q504 N505	Q504-H591 PolarHBondContact OE1-O 2.9Å; N505-H591 WeakPolarHBondContact OD1-CA 3.49Å; N505-H591 PolarHBondContact OD1-N 3.43Å
592	I	61.6	Low	76.6	Confident	100 Å²	100	36.7 Å²	36.7	51%	0.513	19%	0.191	S	C	.	.			trans	-125.9	115.9	-175.9	-53.8	178.5	0	0	0	107.5	D590	D590-I592 PolarHBondContact O-N 3.06Å; D590-I592 WeakPolarHBondContact OD1-CA 3.42Å; D590-I592 PolarHBondContact OD1-N 2.8Å
593	T	62.9	Low	76.8	Confident	24 Å²	24	35.1 Å²	35.1	15%	0.147	19%	0.192	C	C	.	.			trans	-132.6	120	169.4	-36.5	0	0	0	0	109.6	Y502 Q504 E597	Y502-T593 HydrophobicContact CD1-CG2 4.47Å; Y502-T593 HydrophobicContact CD2-CG2 3.58Å; Y502-T593 HydrophobicContact CE1-CG2 4.24Å; Y502-T593 HydrophobicContact CE2-CG2 3.3Å; Y502-T593 HydrophobicContact CG-CG2 4.2Å; Y502-T593 WeakPolarHBondContact O-CG2 3.27Å; Q504-T593 WeakPolarHBondContact CG-OG1 3.49Å; T593-E597 WeakPolarHBondContact CA-OE2 3.36Å; T593-E597 HydrophobicContact CG2-CB 3.89Å; T593-E597 WeakPolarHBondContact CG2-OE2 3.04Å
594	S	60.3	Low	76.8	Confident	44 Å²	44	35.3 Å²	35.3	31%	0.308	19%	0.193	S	C	.	.			trans	-84.9	163	179.3	74.5	0	0	0	0	111.7	N596 E597	S594-N596 PolarHBondContact O-N 3.44Å; S594-E597 PolarHBondContact N-OE2 3.36Å; S594-E597 PolarHBondContact O-N 3.1Å; S594-E597 WeakPolarHBondContact OG-CG 3.35Å; S594-E597 PolarHBondContact OG-OE1 2.9Å; S594-E597 PolarHBondContact OG-OE2 3.07Å
595	T	60.2	Low	76.8	Confident	119 Å²	119	37.4 Å²	37.4	73%	0.73	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.8	176.8	49.7	0	0	0	0	113.9	L598	T595-L598 WeakPolarHBondContact O-CD2 3.47Å
596	N	66.1	Low	76.3	Confident	116 Å²	116	37.6 Å²	37.6	62%	0.62	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.3	-173.8	-52.1	-2.1	0	0	0	111.9	S594 L598	S594-N596 PolarHBondContact O-N 3.44Å; N596-L598 PolarHBondContact O-N 3.21Å
597	E	73.6	Confident	75.7	Confident	21 Å²	21	38 Å²	38	10%	0.098	21%	0.207	C	C	.	.			trans	-94.3	74.2	-176.6	-76.9	162.5	-171	0	0	109.5	A501 Y502 Q528 G530 T593 S594 G599	A501-E597 VanDerWaalsContact CA-O 3.31Å; A501-E597 WeakPolarHBondContact CA-O 3.29Å; Y502-E597 WeakPolarHBondContact CD1-O 3.2Å; Y502-E597 HydrophobicContact CE1-CB 3.72Å; Y502-E597 WeakPolarHBondContact CE1-O 3.39Å; Q528-E597 CarbonylContact O-C 3.53Å; Q528-E597 WeakPolarHBondContact O-CA 3.36Å; G530-E597 VanDerWaalsContact CA-CD 3.43Å; G530-E597 WeakPolarHBondContact CA-OE1 3.46Å; T593-E597 WeakPolarHBondContact CA-OE2 3.36Å; T593-E597 HydrophobicContact CG2-CB 3.89Å; T593-E597 WeakPolarHBondContact CG2-OE2 3.04Å; S594-E597 PolarHBondContact N-OE2 3.36Å; S594-E597 PolarHBondContact O-N 3.1Å; S594-E597 WeakPolarHBondContact OG-CG 3.35Å; S594-E597 PolarHBondContact OG-OE1 2.9Å; S594-E597 PolarHBondContact OG-OE2 3.07Å; E597-G599 PolarHBondContact O-N 2.98Å
598	L	76.3	Confident	74.9	Confident	47 Å²	47	40 Å²	40	25%	0.246	22%	0.22	C	C	.	.			trans	-74.5	-11.3	-174.4	-48.2	-173.3	0	0	0	112.8	Y498 P499 Q528 T595 N596	Y498-L598 VanDerWaalsContact CD2-O 3.24Å; Y498-L598 WeakPolarHBondContact CD2-O 2.99Å; P499-L598 WeakPolarHBondContact O-CB 3.31Å; P499-L598 WeakPolarHBondContact O-CD1 3.47Å; P499-L598 VanDerWaalsContact O-CD2 3.31Å; P499-L598 WeakPolarHBondContact O-CD2 3.37Å; Q528-L598 VanDerWaalsContact OE1-CB 3.31Å; Q528-L598 VanDerWaalsContact OE1-CD1 3.29Å; Q528-L598 VanDerWaalsContact OE1-CG 3.31Å; T595-L598 WeakPolarHBondContact O-CD2 3.47Å; N596-L598 PolarHBondContact O-N 3.21Å
599	G	84.4	Confident	73.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.3	-136.3	175.2	0	0	0	0	0	113.9	S495 I527 Q528 E597	S495-G599 VanDerWaalsContact OG-CA 3.26Å; S495-G599 WeakPolarHBondContact OG-CA 3.4Å; I527-G599 CarbonylContact C-O 3.59Å; Q528-G599 PolarHBondContact N-O 2.86Å; Q528-G599 PolarHBondContact O-N 2.62Å; E597-G599 PolarHBondContact O-N 2.98Å
600	F	85.4	Confident	72.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.7	-177.1	69	-88.2	0	0	0	112.9	I493 K494 S495 Y510 F524 D526 I527 L529 I546 F587 L602	I493-F600 HydrophobicContact CG2-CE2 3.98Å; I493-F600 HydrophobicContact CG2-CZ 4.45Å; K494-F600 CarbonylContact C-O 3.46Å; K494-F600 VanDerWaalsContact CA-O 3.26Å; K494-F600 WeakPolarHBondContact CA-O 3.19Å; S495-F600 PolarHBondContact N-O 3.08Å; S495-F600 PolarHBondContact OG-N 3.09Å; Y510-F600 HydrophobicContact CE2-CZ 4.31Å; F524-F600 HydrophobicContact CE1-CD2 4.26Å; D526-F600 VanDerWaalsContact O-CA 3.27Å; D526-F600 WeakPolarHBondContact O-CA 3.31Å; D526-F600 WeakPolarHBondContact O-CB 3.12Å; I527-F600 HydrophobicContact CG1-CB 4.49Å; L529-F600 HydrophobicContact CD2-CD1 4.44Å; I546-F600 HydrophobicContact CD1-CB 3.85Å; I546-F600 HydrophobicContact CD1-CD1 3.45Å; I546-F600 VanDerWaalsContact CD1-CD1 3.45Å; I546-F600 HydrophobicContact CD1-CD2 3.78Å; I546-F600 HydrophobicContact CD1-CE1 3.87Å; I546-F600 HydrophobicContact CD1-CE2 4.16Å; I546-F600 HydrophobicContact CD1-CG 3.4Å; I546-F600 VanDerWaalsContact CD1-CG 3.4Å; I546-F600 HydrophobicContact CD1-CZ 4.2Å; I546-F600 HydrophobicContact CG1-CD1 4.02Å; I546-F600 HydrophobicContact CG1-CE1 4.08Å; I546-F600 HydrophobicContact CG1-CG 4.44Å; F587-F600 HydrophobicContact CB-CE1 3.95Å; F587-F600 HydrophobicContact CB-CZ 4.25Å; F587-F600 AromaticContact CD1-CE1 3.78Å; F587-F600 HydrophobicContact CD1-CE1 3.78Å; F587-F600 HydrophobicContact CD2-CD1 4.1Å; F587-F600 AromaticContact CD2-CE1 3.61Å; F587-F600 HydrophobicContact CD2-CE1 3.61Å; F587-F600 HydrophobicContact CE1-CE1 4.12Å; F587-F600 HydrophobicContact CE2-CD1 4.1Å; F587-F600 AromaticContact CE2-CE1 3.98Å; F587-F600 HydrophobicContact CE2-CE1 3.98Å; F587-F600 HydrophobicContact CG-CD1 4.4Å; F587-F600 AromaticContact CG-CE1 3.5Å; F587-F600 HydrophobicContact CG-CE1 3.5Å; F587-F600 HydrophobicContact CG-CZ 4.28Å; F587-F600 HydrophobicContact CZ-CD1 4.36Å; F587-F600 HydrophobicContact CZ-CE1 4.21Å; F600-L602 HydrophobicContact CD2-CD2 4.17Å; F600-L602 HydrophobicContact CE2-CD2 3.97Å
601	M	80.9	Confident	71.4	Confident	23 Å²	23	57.2 Å²	57.2	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.9	167.4	-177.3	171.2	74.7	0	0	109.3	I493 K494 Y498 S525 D526	I493-M601 CarbonylContact O-C 3.51Å; I493-M601 WeakPolarHBondContact O-CA 3.37Å; K494-M601 HydrophobicContact CD-SD 4.39Å; K494-M601 VanDerWaalsContact CE-SD 3.6Å; K494-M601 HydrophobicContact CG-CB 4.38Å; K494-M601 HydrophobicContact CG-CG 4.02Å; K494-M601 HydrophobicContact CG-SD 4.42Å; Y498-M601 HydrophobicContact CE1-CB 4.19Å; Y498-M601 HydrophobicContact CE1-SD 4.2Å; Y498-M601 HydrophobicContact CE2-CB 4.42Å; S525-M601 PolarHBondContact N-O 2.67Å; S525-M601 WeakPolarHBondContact OG-CB 3.26Å; S525-M601 WeakPolarHBondContact OG-CE 3.27Å; S525-M601 WeakPolarHBondContact OG-CG 3.46Å; S525-M601 PolarHBondContact OG-O 3.2Å; D526-M601 HydrophobicContact CB-CB 4.34Å; D526-M601 PolarHBondContact N-O 2.93Å; D526-M601 PolarHBondContact O-N 2.94Å
602	L	86.2	Confident	70.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.8	173.1	71.2	87.8	0	0	0	110.3	T492 I493 L522 K523 F524 I585 F600	T492-L602 CarbonylContact C-O 3.2Å; T492-L602 WeakPolarHBondContact CA-O 3.24Å; I493-L602 HydrophobicContact CB-CD1 3.86Å; I493-L602 HydrophobicContact CB-CD2 4.22Å; I493-L602 HydrophobicContact CB-CG 3.82Å; I493-L602 HydrophobicContact CD1-CD1 4.01Å; I493-L602 HydrophobicContact CG1-CD1 3.82Å; I493-L602 HydrophobicContact CG1-CG 4.36Å; I493-L602 PolarHBondContact N-O 3.34Å; I493-L602 PolarHBondContact O-N 3.47Å; L522-L602 HydrophobicContact CD2-CD1 4.15Å; K523-L602 CarbonylContact O-C 3.59Å; K523-L602 WeakPolarHBondContact O-CA 3.47Å; K523-L602 WeakPolarHBondContact O-CB 3.26Å; F524-L602 HydrophobicContact CD1-CB 3.74Å; F524-L602 HydrophobicContact CD1-CD2 4.19Å; F524-L602 HydrophobicContact CD2-CB 4.39Å; F524-L602 HydrophobicContact CE1-CB 3.91Å; F524-L602 HydrophobicContact CE1-CD2 3.45Å; F524-L602 VanDerWaalsContact CE1-CD2 3.45Å; F524-L602 HydrophobicContact CE1-CG 4.3Å; F524-L602 HydrophobicContact CE2-CD2 4.24Å; F524-L602 HydrophobicContact CG-CB 3.99Å; F524-L602 HydrophobicContact CZ-CB 4.3Å; F524-L602 HydrophobicContact CZ-CD2 3.47Å; F524-L602 VanDerWaalsContact CZ-CD2 3.47Å; F524-L602 HydrophobicContact CZ-CG 4.49Å; I585-L602 HydrophobicContact CD1-CD2 4.06Å; F600-L602 HydrophobicContact CD2-CD2 4.17Å; F600-L602 HydrophobicContact CE2-CD2 3.97Å
603	S	80.6	Confident	69.1	Low	44 Å²	44	58.1 Å²	58.1	31%	0.308	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.6	168	64.8	0	0	0	0	110.4	G491 L522 K523	G491-S603 CarbonylContact O-C 3.47Å; G491-S603 WeakPolarHBondContact O-CA 3.45Å; L522-S603 WeakPolarHBondContact CA-O 3.31Å; K523-S603 PolarHBondContact N-O 2.71Å; K523-S603 PolarHBondContact O-N 3.36Å
604	Y	83.8	Confident	67.7	Low	5 Å²	5	64.6 Å²	64.6	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.8	169.3	65.2	-92	0	0	0	110.1	I482 Q490 G491 I493 L520 R521 Y606	I482-Y604 HydrophobicContact CD1-CE1 4.37Å; I482-Y604 HydrophobicContact CG2-CE1 4.33Å; I482-Y604 HydrophobicContact CG2-CE2 4.09Å; Q490-Y604 CarbonylContact C-O 3.52Å; Q490-Y604 WeakPolarHBondContact CA-O 3.18Å; G491-Y604 PolarHBondContact N-O 2.87Å; G491-Y604 WeakPolarHBondContact O-CD1 3.46Å; G491-Y604 PolarHBondContact O-N 3.36Å; I493-Y604 HydrophobicContact CD1-CD1 4.31Å; I493-Y604 HydrophobicContact CG1-CD1 3.93Å; I493-Y604 HydrophobicContact CG1-CE1 4.15Å; L520-Y604 HydrophobicContact CD1-CD2 4.38Å; R521-Y604 CarbonylContact O-C 3.54Å; R521-Y604 VanDerWaalsContact O-CA 3.22Å; R521-Y604 WeakPolarHBondContact O-CA 3.26Å; Y604-Y606 HydrophobicContact CD2-CD2 4.31Å; Y604-Y606 AromaticContact CD2-CE2 3.91Å; Y604-Y606 HydrophobicContact CD2-CE2 3.91Å; Y604-Y606 HydrophobicContact CE2-CD2 4.46Å; Y604-Y606 AromaticContact CE2-CE2 3.87Å; Y604-Y606 HydrophobicContact CE2-CE2 3.87Å
605	E	82.1	Confident	66.4	Low	73 Å²	73	68.7 Å²	68.7	34%	0.341	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.8	180	-178.5	-172.1	-169.2	0	0	109.3	L489 Q490 R521	L489-E605 CarbonylContact O-C 3.43Å; L489-E605 WeakPolarHBondContact O-CA 3.49Å; Q490-E605 HydrophobicContact CB-CB 4.45Å; R521-E605 HydrophobicContact CB-CB 4.29Å; R521-E605 WeakPolarHBondContact CD-OE2 3.47Å; R521-E605 IonicContact CZ-OE2 3.77Å; R521-E605 PolarHBondContact N-O 3.44Å; R521-E605 IonicContact NH1-OE2 2.8Å; R521-E605 PolarHBondContact NH1-OE2 2.89Å; R521-E605 PolarHBondContact O-N 3.3Å
606	Y	81.1	Confident	65	Low	5 Å²	5	70.4 Å²	70.4	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.4	176.6	-68.5	-84.8	0	0	0	110.1	M484 L489 I512 N513 I514 F519 L520 Y604	M484-Y606 HydrophobicContact CB-CD1 4.2Å; M484-Y606 HydrophobicContact CB-CD2 4.11Å; M484-Y606 HydrophobicContact CB-CE1 3.87Å; M484-Y606 HydrophobicContact CB-CE2 3.79Å; M484-Y606 HydrophobicContact CB-CG 4.3Å; M484-Y606 HydrophobicContact CG-CD1 3.99Å; M484-Y606 HydrophobicContact CG-CD2 3.62Å; M484-Y606 HydrophobicContact CG-CE1 4.17Å; M484-Y606 HydrophobicContact CG-CE2 3.84Å; M484-Y606 HydrophobicContact CG-CG 3.69Å; M484-Y606 PolarHBondContact N-OH 3.1Å; M484-Y606 HydrophobicContact SD-CD1 3.97Å; M484-Y606 HydrophobicContact SD-CD2 4.44Å; M484-Y606 HydrophobicContact SD-CG 3.9Å; L489-Y606 WeakPolarHBondContact O-CD2 3.18Å; L489-Y606 PolarHBondContact O-N 3.25Å; I512-Y606 VanDerWaalsContact CG2-OH 3.25Å; I512-Y606 WeakPolarHBondContact CG2-OH 3.31Å; N513-Y606 WeakPolarHBondContact O-CE1 3.13Å; N513-Y606 PolarHBondContact O-OH 2.81Å; I514-Y606 HydrophobicContact CG1-CE1 4.36Å; F519-Y606 CarbonylContact O-C 3.55Å; F519-Y606 VanDerWaalsContact O-CA 3.24Å; F519-Y606 WeakPolarHBondContact O-CA 3.12Å; L520-Y606 HydrophobicContact CD1-CD1 4Å; L520-Y606 HydrophobicContact CD1-CE1 3.83Å; L520-Y606 HydrophobicContact CD1-CE2 4.35Å; L520-Y606 HydrophobicContact CD1-CG 4.35Å; Y604-Y606 HydrophobicContact CD2-CD2 4.31Å; Y604-Y606 AromaticContact CD2-CE2 3.91Å; Y604-Y606 HydrophobicContact CD2-CE2 3.91Å; Y604-Y606 HydrophobicContact CE2-CD2 4.46Å; Y604-Y606 AromaticContact CE2-CE2 3.87Å; Y604-Y606 HydrophobicContact CE2-CE2 3.87Å
607	S	75.4	Confident	63.5	Low	10 Å²	10	72.3 Å²	72.3	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	166.5	179.9	58.6	0	0	0	0	113	R518 F519 Y612	R518-S607 WeakPolarHBondContact CA-O 3.39Å; F519-S607 PolarHBondContact N-O 2.86Å; F519-S607 PolarHBondContact O-N 2.86Å; S607-Y612 WeakPolarHBondContact OG-CE2 3.38Å
608	T	73.6	Confident	61.2	Low	42 Å²	42	79 Å²	79	26%	0.258	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	163.7	176.3	67.5	0	0	0	0	112	N610 D611	T608-N610 PolarHBondContact O-N 2.75Å; T608-D611 PolarHBondContact N-OD2 2.93Å; T608-D611 PolarHBondContact O-N 3.2Å; T608-D611 PolarHBondContact OG1-OD2 3.02Å
609	R	58.3	Low	58.8	Low	196 Å²	196	83.8 Å²	83.8	74%	0.74	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.4	-179.7	-163.3	174.6	-175.8	177.6	0.2	113.4	F519	F519-R609 HydrophobicContact CE2-CB 3.88Å; F519-R609 HydrophobicContact CE2-CG 4.32Å
610	N	49.5	Very low	56.1	Low	126 Å²	126	92.3 Å²	92.3	67%	0.674	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-76.2	-23.2	-178.1	-73.3	6.6	0	0	0	112.9	T608 Y612 T613	T608-N610 PolarHBondContact O-N 2.75Å; N610-Y612 PolarHBondContact O-N 3.3Å; N610-T613 PolarHBondContact O-N 3.03Å; N610-T613 PolarHBondContact O-OG1 2.99Å
611	D	49.3	Very low	53.1	Low	102 Å²	102	99.2 Å²	99.2	55%	0.545	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-70	-12	178.2	-60.8	-47.9	0	0	0	113	T608	T608-D611 PolarHBondContact N-OD2 2.93Å; T608-D611 PolarHBondContact O-N 3.2Å; T608-D611 PolarHBondContact OG1-OD2 3.02Å
612	Y	44.3	Very low	50.5	Low	108 Å²	108	105.1 Å²	105.1	42%	0.424	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-102	-12.2	-179.3	-74.2	-77.4	0	0	0	114.7	M573 S607 N610	M573-Y612 HydrophobicContact CE-CE2 4.21Å; M573-Y612 WeakPolarHBondContact CE-OH 3.39Å; M573-Y612 PolarHBondContact SD-OH 2.77Å; S607-Y612 WeakPolarHBondContact OG-CE2 3.38Å; N610-Y612 PolarHBondContact O-N 3.3Å
613	T	37.5	Very low	47.6	Very low	115 Å²	115	116 Å²	116	71%	0.706	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-13	177.7	45.4	0	0	0	0	113.8	N610	N610-T613 PolarHBondContact O-N 3.03Å; N610-T613 PolarHBondContact O-OG1 2.99Å
614	E	33.6	Very low	45	Very low	161 Å²	161	120.6 Å²	120.6	75%	0.752	58%	0.579	S	S	*	*	S	Bend	trans	-128.3	79.5	174.5	-74.9	-175.5	165.8	0	0	110.8
615	N	31.6	Very low	42.2	Very low	129 Å²	129	127.6 Å²	127.6	69%	0.69	62%	0.616	S	S	*	*			trans	162.8	64.1	142	-85.8	-37.5	0	0	0	111.4	N617	N615-N617 PolarHBondContact O-N 2.81Å
616	N	30.7	Very low	39.6	Very low	155 Å²	155	133.3 Å²	133.3	83%	0.829	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	6.7	164.8	-92.7	-11.4	0	0	0	113.9
617	N	34.4	Very low	37	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	16.6	-175.9	-81.7	-9.9	0	0	0	116.9	N615	N615-N617 PolarHBondContact O-N 2.81Å
618	K	26.3	Very low	34.7	Very low	161 Å²	161	144.7 Å²	144.7	70%	0.7	72%	0.716	S	S	*	*			trans	-128.7	68.4	163.1	-83	-175.5	178.4	176.5	0	110.4	F620	K618-F620 VanDerWaalsContact C-N 3.32Å; K618-F620 PolarHBondContact O-N 2.8Å
619	L	24.7	Very low	32.3	Very low	147 Å²	147	151.4 Å²	151.4	77%	0.77	74%	0.742	S	S	*	*			trans	-62.9	94.7	165.2	-158.2	84.5	0	0	0	107.6	L621	L619-L621 HydrophobicContact CD2-CD1 4.23Å; L619-L621 HydrophobicContact CD2-CD2 4.37Å; L619-L621 HydrophobicContact CD2-CG 3.96Å; L619-L621 PolarHBondContact O-N 2.93Å
620	F	27.7	Very low	30.8	Very low	179 Å²	179	149.6 Å²	149.6	79%	0.785	75%	0.745	S	S	*	*			trans	-64.4	88.2	163.3	-78.6	-90.4	0	0	0	107.5	K618 I622	K618-F620 VanDerWaalsContact C-N 3.32Å; K618-F620 PolarHBondContact O-N 2.8Å; F620-I622 PolarHBondContact O-N 2.86Å
621	L	23.2	Very low	29.7	Very low	146 Å²	146	150 Å²	150	76%	0.764	75%	0.747	S	S	*	*			trans	-64	80.6	161.1	-82.1	153.3	0	0	0	107.6	L619 R623	L619-L621 HydrophobicContact CD2-CD1 4.23Å; L619-L621 HydrophobicContact CD2-CD2 4.37Å; L619-L621 HydrophobicContact CD2-CG 3.96Å; L619-L621 PolarHBondContact O-N 2.93Å; L621-R623 PolarHBondContact O-N 2.86Å
622	I	27.2	Very low	28.6	Very low	146 Å²	146	151.7 Å²	151.7	75%	0.749	76%	0.756	S	S	*	*			trans	-71.3	88.6	158.1	-57.5	177.1	0	0	0	104.9	F620 K624	F620-I622 PolarHBondContact O-N 2.86Å; I622-K624 PolarHBondContact O-N 2.81Å
623	R	24.8	Very low	27.9	Very low	228 Å²	228	152.7 Å²	152.7	86%	0.86	77%	0.773	S	S	*	*			trans	-54.9	123.5	169.1	-140.6	176.7	-164.5	174.1	2.7	107	L621 D625	L621-R623 PolarHBondContact O-N 2.86Å; R623-D625 PolarHBondContact O-N 3.4Å
624	K	24.8	Very low	27.4	Very low	142 Å²	142	154.3 Å²	154.3	62%	0.617	78%	0.778	S	S	*	*	S	Bend	trans	-48	118.9	160.1	-92.9	175.5	168.1	174.9	0	107.5	I622	I622-K624 PolarHBondContact O-N 2.81Å
625	D	26.1	Very low	27.1	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	78%	0.777	S	S	*	*			trans	-178.6	101.6	130.2	-81.4	-24.3	0	0	0	107.4	R623 S627	R623-D625 PolarHBondContact O-N 3.4Å; D625-S627 PolarHBondContact O-N 3.02Å
626	L	26.4	Very low	27	Very low	192 Å²	192	152.2 Å²	152.2	100%	1.005	79%	0.785	S	S	*	*			trans	-77.7	94.7	164.7	-80.3	123.3	0	0	0	107.1
627	S	26.5	Very low	27	Very low	95 Å²	95	148 Å²	148	66%	0.664	78%	0.777	S	S	*	*			trans	-144.3	120.4	157.6	63.8	0	0	0	0	110.9	D625 K629	D625-S627 PolarHBondContact O-N 3.02Å; S627-K629 PolarHBondContact O-N 3.34Å
628	D	29.1	Very low	27	Very low	160 Å²	160	147.4 Å²	147.4	86%	0.856	77%	0.774	S	S	*	*	S	Bend	trans	28.9	80.8	151.1	-55.9	-27.3	0	0	0	118.3
629	K	22.2	Very low	27.9	Very low	182 Å²	182	146.7 Å²	146.7	79%	0.791	78%	0.778	S	S	*	*			trans	169.2	110.1	137.7	-94.2	166.6	-175.9	-173.2	0	108.6	S627 D631	S627-K629 PolarHBondContact O-N 3.34Å; K629-D631 VanDerWaalsContact C-N 3.34Å; K629-D631 PolarHBondContact O-N 2.65Å; K629-D631 VanDerWaalsContact O-N 3.14Å
630	I	27.7	Very low	29.1	Very low	159 Å²	159	144.7 Å²	144.7	82%	0.815	77%	0.772	S	S	*	*			trans	-80.2	91.6	168.2	-61.8	173.9	0	0	0	105.8
631	D	25.5	Very low	30.9	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	74%	0.744	S	S	*	*			trans	-76.9	126.5	168.2	-73	-30.1	0	0	0	109.3	K629	K629-D631 VanDerWaalsContact C-N 3.34Å; K629-D631 PolarHBondContact O-N 2.65Å; K629-D631 VanDerWaalsContact O-N 3.14Å
632	D	25.9	Very low	33	Very low	139 Å²	139	135.5 Å²	135.5	74%	0.743	73%	0.731	S	S	*	*			trans	15.1	104.5	165.3	-66.4	-28.5	0	0	0	118.5	N634	D632-N634 VanDerWaalsContact C-N 3.31Å; D632-N634 PolarHBondContact O-N 3.13Å
633	V	31	Very low	35.2	Very low	128 Å²	128	133.2 Å²	133.2	78%	0.776	72%	0.715	S	S	*	*			trans	-68.6	85.9	166.4	-177.9	0	0	0	0	109.7
634	N	26.4	Very low	37.5	Very low	150 Å²	150	126 Å²	126	80%	0.802	70%	0.697	S	S	*	*			trans	-94	86.2	164.8	-79.7	-39.2	0	0	0	109.8	D632	D632-N634 VanDerWaalsContact C-N 3.31Å; D632-N634 PolarHBondContact O-N 3.13Å
635	S	27.8	Very low	39.9	Very low	105 Å²	105	121.1 Å²	121.1	73%	0.734	68%	0.677	S	S	*	*			trans	-177.4	108.3	141.9	-170.2	0	0	0	0	109.5	G637	S635-G637 PolarHBondContact O-N 3.27Å
636	V	29.1	Very low	42	Very low	141 Å²	141	115.8 Å²	115.8	86%	0.855	65%	0.65	S	S	*	*			trans	-71.9	108.1	173.8	178.2	0	0	0	0	108.4
637	G	29.4	Very low	44.1	Very low	65 Å²	65	106.8 Å²	106.8	67%	0.67	60%	0.603	S	S	*	*			trans	-113.1	125.4	164.5	0	0	0	0	0	108.5	S635	S635-G637 PolarHBondContact O-N 3.27Å
638	D	35.9	Very low	45.6	Very low	145 Å²	145	109.2 Å²	109.2	78%	0.775	60%	0.599	S	S	*	*	S	Bend	trans	61.2	130.2	177.8	-64.3	-21.3	0	0	0	117.8	T640	D638-T640 PolarHBondContact O-N 2.89Å
639	D	45.1	Very low	46.7	Very low	147 Å²	147	102.1 Å²	102.1	79%	0.786	56%	0.564	S	S	*	*	S	Bend	trans	-61.6	27	-167.9	-79.3	-38.3	0	0	0	117.2
640	T	50.1	Low	48.1	Very low	104 Å²	104	97.9 Å²	97.9	64%	0.638	55%	0.545	S	S	*	.			trans	-113.9	108.7	175.2	60.8	0	0	0	0	110.1	D638 Q642	D638-T640 PolarHBondContact O-N 2.89Å; T640-Q642 PolarHBondContact O-N 2.87Å
641	C	65.1	Low	49.5	Very low	29 Å²	29	95.8 Å²	95.8	20%	0.196	53%	0.532	C	S	.	.			trans	-72.2	57.9	171.4	-163.7	0	0	0	0	111.2	C674 K675	C641-C674 HydrophobicContact CB-CB 3.9Å; C641-C674 WeakPolarHBondContact CB-SG 3.37Å; C641-C674 CarbonylContact O-C 3.52Å; C641-C674 VanDerWaalsContact O-CA 3.23Å; C641-C674 WeakPolarHBondContact O-CA 3.49Å; C641-C674 WeakPolarHBondContact SG-CB 3.39Å; C641-C674 CovalentContact SG-SG 2.03Å; C641-C674 PolarHBondContact SG-SG 2.9Å; C641-K675 PolarHBondContact O-N 2.91Å
642	Q	66.2	Low	51.6	Low	104 Å²	104	91.5 Å²	91.5	49%	0.486	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.3	-178.9	-175.4	173.3	-9.2	0	0	110.2	T640 K675	T640-Q642 PolarHBondContact O-N 2.87Å; Q642-K675 CarbonylContact C-O 3.56Å; Q642-K675 VanDerWaalsContact CA-O 3.28Å; Q642-K675 WeakPolarHBondContact CA-O 3.16Å; Q642-K675 HydrophobicContact CG-CB 4.4Å
643	F	73.6	Confident	54.1	Low	98 Å²	98	90.1 Å²	90.1	43%	0.43	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.2	-178.2	-57	-82.9	0	0	0	109.6	K675 W676 K677	F643-K675 PolarHBondContact N-O 2.89Å; F643-W676 HydrophobicContact CB-CG 4.4Å; F643-W676 AromaticContact CD2-CD1 3.81Å; F643-W676 AromaticContact CD2-CE2 3.95Å; F643-W676 HydrophobicContact CD2-CG 4.47Å; F643-W676 AromaticContact CD2-NE1 3.42Å; F643-W676 AromaticContact CG-NE1 3.93Å; F643-W676 CarbonylContact O-C 3.55Å; F643-W676 WeakPolarHBondContact O-CA 3.43Å; F643-K677 PolarHBondContact O-N 3.49Å
644	T	74.1	Confident	56.3	Low	77 Å²	77	84.5 Å²	84.5	47%	0.472	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.6	176.2	-56.3	0	0	0	0	109.6	T646 K677	T644-T646 HydrophobicContact CG2-CG2 3.85Å; T644-K677 CarbonylContact C-O 3.59Å; T644-K677 VanDerWaalsContact CA-O 3.32Å; T644-K677 WeakPolarHBondContact CA-O 3.47Å; T644-K677 HydrophobicContact CG2-CB 4.35Å; T644-K677 HydrophobicContact CG2-CD 4.17Å; T644-K677 HydrophobicContact CG2-CG 4.39Å
645	I	75.1	Confident	58.6	Low	38 Å²	38	81.7 Å²	81.7	20%	0.195	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.4	177.8	-59.5	175.4	0	0	0	107.5	L656 K677 L678 E679 Y904 F906	I645-L656 HydrophobicContact CD1-CD2 3.23Å; I645-K677 PolarHBondContact N-O 2.67Å; I645-L678 CarbonylContact O-C 3.5Å; I645-L678 WeakPolarHBondContact O-CA 3.32Å; I645-E679 PolarHBondContact O-N 3.43Å; I645-Y904 HydrophobicContact CD1-CE1 4.32Å; I645-Y904 HydrophobicContact CG2-CE2 4.14Å; I645-F906 HydrophobicContact CG2-CE2 4.13Å; I645-F906 HydrophobicContact CG2-CZ 4.13Å
646	T	70.1	Confident	61	Low	40 Å²	40	77.4 Å²	77.4	25%	0.245	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.8	178.3	61.8	0	0	0	0	109.9	T644 Y648 E679	T644-T646 HydrophobicContact CG2-CG2 3.85Å; T646-Y648 VanDerWaalsContact O-CD2 3.25Å; T646-Y648 WeakPolarHBondContact O-CD2 3.39Å; T646-Y648 WeakPolarHBondContact O-CE2 3.38Å; T646-Y648 PolarHBondContact O-N 3.42Å; T646-Y648 WeakPolarHBondContact OG1-CE1 3.43Å; T646-Y648 WeakPolarHBondContact OG1-CE2 3.4Å; T646-Y648 PolarHBondContact OG1-OH 2.02Å; T646-E679 CarbonylContact C-O 3.53Å; T646-E679 VanDerWaalsContact CA-O 3.29Å; T646-E679 WeakPolarHBondContact CA-O 3.25Å; T646-E679 HydrophobicContact CG2-CB 4.13Å
647	S	70.8	Confident	62.8	Low	4 Å²	4	76.3 Å²	76.3	3%	0.028	41%	0.409	C	S	.	.			trans	-66.7	-20.2	177.8	75	0	0	0	0	113.4	G649 K650 E679 G681 Q684 F906	S647-G649 PolarHBondContact O-N 2.59Å; S647-G649 PolarHBondContact OG-N 2.79Å; S647-K650 PolarHBondContact O-N 2.76Å; S647-E679 PolarHBondContact N-O 3.04Å; S647-G681 PolarHBondContact OG-N 3.01Å; S647-Q684 PolarHBondContact OG-OE1 2.76Å; S647-F906 VanDerWaalsContact CB-CD1 3.5Å; S647-F906 VanDerWaalsContact CB-CG 3.4Å
648	Y	57.6	Low	64.6	Low	145 Å²	145	73.8 Å²	73.8	57%	0.569	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	17.1	-166	-56.5	-74.1	0	0	0	114.1	K494 T646	K494-Y648 PolarHBondContact NZ-O 3.37Å; T646-Y648 VanDerWaalsContact O-CD2 3.25Å; T646-Y648 WeakPolarHBondContact O-CD2 3.39Å; T646-Y648 WeakPolarHBondContact O-CE2 3.38Å; T646-Y648 PolarHBondContact O-N 3.42Å; T646-Y648 WeakPolarHBondContact OG1-CE1 3.43Å; T646-Y648 WeakPolarHBondContact OG1-CE2 3.4Å; T646-Y648 PolarHBondContact OG1-OH 2.02Å
649	G	52.4	Low	65.4	Low	12 Å²	12	70.1 Å²	70.1	12%	0.124	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-10.8	-175	0	0	0	0	0	114.5	P499 S647 Q684	P499-G649 WeakPolarHBondContact CD-O 3.5Å; P499-G649 WeakPolarHBondContact CG-O 3.43Å; S647-G649 PolarHBondContact O-N 2.59Å; S647-G649 PolarHBondContact OG-N 2.79Å; G649-Q684 PolarHBondContact O-NE2 2.88Å
650	K	52	Low	65.6	Low	93 Å²	93	66.5 Å²	66.5	40%	0.404	34%	0.344	S	S	.	.			trans	-77	144.5	-179.8	-62.9	-169.5	176.8	-167.7	0	111	Y498 P499 D526 S647 S652 Q684	Y498-K650 WeakPolarHBondContact OH-CE 3.36Å; P499-K650 HydrophobicContact CB-CG 4.5Å; D526-K650 IonicContact OD2-NZ 3.5Å; D526-K650 PolarHBondContact OD2-NZ 2.8Å; S647-K650 PolarHBondContact O-N 2.76Å; K650-S652 VanDerWaalsContact C-N 3.27Å; K650-S652 PolarHBondContact O-N 2.91Å; K650-Q684 VanDerWaalsContact C-NE2 3.31Å; K650-Q684 PolarHBondContact O-NE2 2.82Å
651	E	56.8	Low	65.3	Low	114 Å²	114	67 Å²	67	53%	0.533	34%	0.343	S	S	.	.			trans	-76.9	83	167.5	-68.8	177.9	-177.9	0	0	108.1	F906 T908 K921	E651-F906 VanDerWaalsContact CA-O 3.25Å; E651-F906 WeakPolarHBondContact CA-O 3.49Å; E651-T908 HydrophobicContact CG-CG2 4.33Å; E651-T908 WeakPolarHBondContact OE1-CB 3.38Å; E651-T908 WeakPolarHBondContact OE1-CG2 3.46Å; E651-T908 PolarHBondContact OE1-OG1 3.26Å; E651-K921 IonicContact OE1-NZ 3.17Å; E651-K921 PolarHBondContact OE1-NZ 2.74Å
652	S	68.7	Low	64.5	Low	44 Å²	44	67.6 Å²	67.6	31%	0.308	34%	0.344	S	S	.	.			trans	-105.4	153	178.9	59.2	0	0	0	0	111.2	K650 K905 F906	K650-S652 VanDerWaalsContact C-N 3.27Å; K650-S652 PolarHBondContact O-N 2.91Å; S652-K905 WeakPolarHBondContact O-CA 3.44Å; S652-F906 PolarHBondContact O-N 3.15Å; S652-F906 VanDerWaalsContact OG-CD2 3.28Å; S652-F906 WeakPolarHBondContact OG-CD2 3.23Å
653	N	78.6	Confident	63.4	Low	109 Å²	109	66.7 Å²	66.7	58%	0.583	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.8	170.6	66.5	44.8	0	0	0	109.7	Y904 K905	N653-Y904 CarbonylContact C-O 3.52Å; N653-Y904 VanDerWaalsContact CA-O 3.22Å; N653-Y904 WeakPolarHBondContact CA-O 3.36Å; N653-Y904 WeakPolarHBondContact CB-O 3.46Å; N653-K905 HydrophobicContact CB-CB 4.39Å; N653-K905 HydrophobicContact CB-CG 3.78Å
654	G	76.5	Confident	61.6	Low	11 Å²	11	72.1 Å²	72.1	11%	0.113	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	179.8	175.3	0	0	0	0	0	111.8	Q903 Y904	G654-Q903 WeakPolarHBondContact O-CA 3.44Å; G654-Q903 WeakPolarHBondContact O-CG 3.25Å; G654-Y904 PolarHBondContact N-O 2.75Å; G654-Y904 WeakPolarHBondContact O-CD1 3.14Å; G654-Y904 PolarHBondContact O-N 2.84Å
655	F	76.6	Confident	59.9	Low	91 Å²	91	72.2 Å²	72.2	40%	0.399	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.1	177.3	-68.7	-93.3	0	0	0	109.4	V691 D901 V902 Q903	F655-V691 HydrophobicContact CE1-CG2 4.24Å; F655-D901 HydrophobicContact CD1-CB 4.44Å; F655-V902 CarbonylContact C-O 3.55Å; F655-V902 WeakPolarHBondContact CA-O 3.48Å; F655-Q903 HydrophobicContact CD1-CB 3.87Å; F655-Q903 HydrophobicContact CD1-CG 4.09Å; F655-Q903 HydrophobicContact CE1-CB 3.68Å; F655-Q903 HydrophobicContact CE1-CG 3.74Å; F655-Q903 HydrophobicContact CE2-CG 4.32Å; F655-Q903 HydrophobicContact CZ-CB 4.32Å; F655-Q903 HydrophobicContact CZ-CG 3.86Å
656	L	77.4	Confident	58	Low	15 Å²	15	82.4 Å²	82.4	8%	0.079	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.8	165.7	-51.6	172	0	0	0	107.2	I645 I658 W676 I859 V902 Y904	I645-L656 HydrophobicContact CD1-CD2 3.23Å; L656-I658 PolarHBondContact O-N 2.59Å; L656-W676 HydrophobicContact CD1-CB 4.3Å; L656-W676 HydrophobicContact CD1-CG 4.26Å; L656-I859 HydrophobicContact CD1-CD1 3.89Å; L656-V902 HydrophobicContact CB-CB 4.09Å; L656-V902 HydrophobicContact CD1-CB 4.26Å; L656-V902 HydrophobicContact CD1-CG1 4.45Å; L656-V902 HydrophobicContact CG-CB 4.45Å; L656-V902 PolarHBondContact N-O 2.77Å; L656-V902 PolarHBondContact O-N 2.76Å; L656-Y904 HydrophobicContact CD1-CD1 4.42Å; L656-Y904 HydrophobicContact CD2-CD1 4.05Å; L656-Y904 HydrophobicContact CD2-CE1 3.84Å; L656-Y904 HydrophobicContact CG-CD1 3.86Å; L656-Y904 HydrophobicContact CG-CE1 4.14Å
657	H	67.7	Low	56.2	Low	118 Å²	118	88.4 Å²	88.4	55%	0.546	42%	0.418	S	S	.	.			trans	-80.5	106.6	169.4	-62.3	-64	0	0	0	108.2	P659 D901	H657-P659 VanDerWaalsContact O-CD 3.24Å; H657-P659 WeakPolarHBondContact O-CD 3.42Å; H657-D901 IonicContact CE1-OD2 3.71Å; H657-D901 IonicContact CG-OD1 3.98Å; H657-D901 IonicContact ND1-OD1 3.78Å; H657-D901 PolarHBondContact ND1-OD1 3.17Å; H657-D901 VanDerWaalsContact ND1-OD1 3.08Å; H657-D901 IonicContact ND1-OD2 3.36Å; H657-D901 PolarHBondContact ND1-OD2 2.74Å
658	I	65.9	Low	54.7	Low	12 Å²	12	92.4 Å²	92.4	6%	0.062	44%	0.444	C	S	.	.			trans	-72.1	116.7	175	-65.4	164.7	0	0	0	107.3	L656 N660 W676 R693 L766 L861 L898 V902	L656-I658 PolarHBondContact O-N 2.59Å; I658-N660 PolarHBondContact O-N 3.33Å; I658-W676 HydrophobicContact CG1-CH2 4.03Å; I658-W676 HydrophobicContact CG1-CZ2 4.44Å; I658-W676 HydrophobicContact CG1-CZ3 4.48Å; I658-W676 HydrophobicContact CG2-CH2 4.37Å; I658-R693 PolarHBondContact O-NH2 2.96Å; I658-L766 HydrophobicContact CD1-CD1 4.09Å; I658-L766 HydrophobicContact CD1-CD2 4.06Å; I658-L861 HydrophobicContact CG2-CD2 3.91Å; I658-L898 HydrophobicContact CD1-CD2 3.86Å; I658-V902 HydrophobicContact CD1-CG2 4.15Å
659	P	52.7	Low	53.9	Low	68 Å²	68	89.7 Å²	89.7	44%	0.442	45%	0.447	S	S	.	.			trans	-71	128	-171	-17.2	30	0	0	0	112.9	H657 N661 L662	H657-P659 VanDerWaalsContact O-CD 3.24Å; H657-P659 WeakPolarHBondContact O-CD 3.42Å; P659-N661 PolarHBondContact O-N 2.88Å; P659-L662 HydrophobicContact CB-CD1 4.5Å; P659-L662 HydrophobicContact CB-CG 4.43Å; P659-L662 HydrophobicContact CG-CD1 4.39Å
660	N	49.7	Very low	53.3	Low	70 Å²	70	96.9 Å²	96.9	37%	0.374	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-63.6	-20.8	175.1	-69.2	4.3	0	0	0	113.1	I658 L662 R693 D897	I658-N660 PolarHBondContact O-N 3.33Å; N660-L662 VanDerWaalsContact C-N 3.34Å; N660-L662 PolarHBondContact O-N 2.81Å; N660-R693 PolarHBondContact OD1-NH1 2.98Å; N660-R693 VanDerWaalsContact OD1-NH1 3.11Å; N660-D897 PolarHBondContact ND2-OD2 3.25Å; N660-D897 PolarHBondContact OD1-OD1 2.51Å; N660-D897 PolarHBondContact OD1-OD2 3.11Å
661	N	44.5	Very low	53	Low	115 Å²	115	95.7 Å²	95.7	62%	0.615	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-81.5	-6	-172.6	-67.6	-25.2	0	0	0	114.6	P659 I663 R664	P659-N661 PolarHBondContact O-N 2.88Å; N661-I663 PolarHBondContact O-N 3.42Å; N661-I663 VanDerWaalsContact O-N 3.11Å; N661-R664 PolarHBondContact O-N 3.24Å
662	L	46.6	Very low	52.9	Low	41 Å²	41	93.7 Å²	93.7	22%	0.215	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-64.7	-13	176.9	-71	167.4	0	0	0	113.3	P659 N660 L671 L861	P659-L662 HydrophobicContact CB-CD1 4.5Å; P659-L662 HydrophobicContact CB-CG 4.43Å; P659-L662 HydrophobicContact CG-CD1 4.39Å; N660-L662 VanDerWaalsContact C-N 3.34Å; N660-L662 PolarHBondContact O-N 2.81Å; L662-L671 HydrophobicContact CD2-CD2 3.72Å; L662-L861 HydrophobicContact CD1-CD2 4.46Å
663	I	43.9	Very low	52.9	Low	85 Å²	85	96 Å²	96	44%	0.436	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-94.8	-9.7	-178.8	-57.2	172.5	0	0	0	112.6	N661 M764 S896	N661-I663 PolarHBondContact O-N 3.42Å; N661-I663 VanDerWaalsContact O-N 3.11Å; I663-M764 HydrophobicContact CD1-CE 3.43Å; I663-M764 VanDerWaalsContact CD1-CE 3.43Å; I663-M764 HydrophobicContact CD1-SD 4.03Å; I663-S896 WeakPolarHBondContact CD1-O 3.39Å
664	R	37	Very low	52.6	Low	212 Å²	212	91 Å²	91	80%	0.8	45%	0.45	S	S	*	.			trans	-102.4	18.6	-173.5	-109.2	-168.5	-81.8	-126.9	2.6	115.5	N661	N661-R664 PolarHBondContact O-N 3.24Å
665	T	36.9	Very low	52.8	Low	79 Å²	79	93.2 Å²	93.2	49%	0.485	46%	0.457	S	S	.	.			trans	-82.2	126	174.7	55.5	0	0	0	0	110.8	K667	T665-K667 PolarHBondContact O-N 2.97Å
666	R	35.7	Very low	53.2	Low	252 Å²	252	89.8 Å²	89.8	95%	0.951	44%	0.441	S	S	*	.	S	Bend	trans	-68.6	12.7	-176.4	-73.1	-178	178.7	175.3	-0.2	115
667	K	32.9	Very low	53.6	Low	166 Å²	166	90.8 Å²	90.8	72%	0.722	45%	0.445	S	S	*	.			trans	-128.8	100.3	176.3	-79.1	-171.9	176.1	-177.5	0	109.5	T665 S669	T665-K667 PolarHBondContact O-N 2.97Å; K667-S669 PolarHBondContact O-N 2.75Å
668	P	39.5	Very low	54.5	Low	88 Å²	88	85.2 Å²	85.2	57%	0.571	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.3	-172.3	-16.3	30	0	0	0	115.9	Q865	P668-Q865 PolarHBondContact O-NE2 3.13Å
669	S	39.3	Very low	55.4	Low	89 Å²	89	87.5 Å²	87.5	62%	0.622	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-13.2	-166	44	0	0	0	0	116.4	K667	K667-S669 PolarHBondContact O-N 2.75Å
670	E	41.3	Very low	56.4	Low	162 Å²	162	85 Å²	85	76%	0.757	42%	0.416	S	S	*	.	S	Bend	trans	-137.3	14.3	-165.3	-72.5	179.4	168.1	0	0	117.7
671	L	44.6	Very low	57.2	Low	69 Å²	69	82.7 Å²	82.7	36%	0.361	41%	0.409	S	S	.	.			trans	-130.3	78	174.5	-129.6	102.1	0	0	0	112	L662	L662-L671 HydrophobicContact CD2-CD2 3.72Å
672	N	54.7	Low	58.3	Low	72 Å²	72	85.6 Å²	85.6	39%	0.385	41%	0.412	S	S	.	.			trans	-104	-18.4	-169.8	-78.3	-22.9	0	0	0	116.8
673	N	68.1	Low	59.4	Low	91 Å²	91	84.1 Å²	84.1	49%	0.487	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	139.2	175.4	-56.2	-59.6	0	0	0	111.6	V860 L861 K862	N673-V860 HydrophobicContact CB-CG1 4.4Å; N673-L861 WeakPolarHBondContact CA-O 3.45Å; N673-L861 WeakPolarHBondContact CB-O 3.29Å; N673-L861 PolarHBondContact OD1-O 3.49Å; N673-K862 VanDerWaalsContact OD1-CA 3.3Å; N673-K862 WeakPolarHBondContact OD1-CA 3.42Å
674	C	72.4	Confident	61.2	Low	5 Å²	5	80.2 Å²	80.2	3%	0.034	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.4	171.8	-68.3	0	0	0	0	110.3	C641 W676 V860 L861	C641-C674 HydrophobicContact CB-CB 3.9Å; C641-C674 WeakPolarHBondContact CB-SG 3.37Å; C641-C674 CarbonylContact O-C 3.52Å; C641-C674 VanDerWaalsContact O-CA 3.23Å; C641-C674 WeakPolarHBondContact O-CA 3.49Å; C641-C674 WeakPolarHBondContact SG-CB 3.39Å; C641-C674 CovalentContact SG-SG 2.03Å; C641-C674 PolarHBondContact SG-SG 2.9Å; C674-W676 HydrophobicContact CB-CH2 3.73Å; C674-W676 HydrophobicContact CB-CZ2 4.32Å; C674-W676 HydrophobicContact CB-CZ3 3.94Å; C674-V860 CarbonylContact O-C 3.6Å; C674-V860 WeakPolarHBondContact O-CA 3.1Å; C674-L861 HydrophobicContact CB-CB 4.35Å; C674-L861 PolarHBondContact N-O 2.82Å; C674-L861 PolarHBondContact O-N 3.4Å
675	K	81.5	Confident	63.6	Low	57 Å²	57	70.8 Å²	70.8	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.8	-175.1	179.9	173.6	-178	176	0	111.4	C641 Q642 F643 D858 I859 V860	C641-K675 PolarHBondContact O-N 2.91Å; Q642-K675 CarbonylContact C-O 3.56Å; Q642-K675 VanDerWaalsContact CA-O 3.28Å; Q642-K675 WeakPolarHBondContact CA-O 3.16Å; Q642-K675 HydrophobicContact CG-CB 4.4Å; F643-K675 PolarHBondContact N-O 2.89Å; K675-D858 VanDerWaalsContact CE-CG 3.46Å; K675-D858 WeakPolarHBondContact CE-OD2 3.45Å; K675-D858 IonicContact NZ-OD2 2.76Å; K675-D858 PolarHBondContact NZ-OD2 3.41Å; K675-I859 CarbonylContact C-O 3.49Å; K675-I859 WeakPolarHBondContact CA-O 3.42Å; K675-V860 HydrophobicContact CB-CG2 4.48Å; K675-V860 HydrophobicContact CD-CG2 4.39Å; K675-V860 HydrophobicContact CG-CG2 4.11Å
676	W	85.4	Confident	66.2	Low	19 Å²	19	67 Å²	67	7%	0.072	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.3	169.1	-61.8	-94.7	0	0	0	109.5	F643 L656 I658 C674 D858 I859 L861	F643-W676 HydrophobicContact CB-CG 4.4Å; F643-W676 AromaticContact CD2-CD1 3.81Å; F643-W676 AromaticContact CD2-CE2 3.95Å; F643-W676 HydrophobicContact CD2-CG 4.47Å; F643-W676 AromaticContact CD2-NE1 3.42Å; F643-W676 AromaticContact CG-NE1 3.93Å; F643-W676 CarbonylContact O-C 3.55Å; F643-W676 WeakPolarHBondContact O-CA 3.43Å; L656-W676 HydrophobicContact CD1-CB 4.3Å; L656-W676 HydrophobicContact CD1-CG 4.26Å; I658-W676 HydrophobicContact CG1-CH2 4.03Å; I658-W676 HydrophobicContact CG1-CZ2 4.44Å; I658-W676 HydrophobicContact CG1-CZ3 4.48Å; I658-W676 HydrophobicContact CG2-CH2 4.37Å; C674-W676 HydrophobicContact CB-CH2 3.73Å; C674-W676 HydrophobicContact CB-CZ2 4.32Å; C674-W676 HydrophobicContact CB-CZ3 3.94Å; W676-D858 CarbonylContact O-C 3.56Å; W676-D858 WeakPolarHBondContact O-CA 3.42Å; W676-I859 HydrophobicContact CB-CB 4.37Å; W676-I859 HydrophobicContact CE3-CB 4.46Å; W676-I859 HydrophobicContact CE3-CG2 4.29Å; W676-I859 PolarHBondContact N-O 2.87Å; W676-I859 PolarHBondContact O-N 3Å; W676-L861 HydrophobicContact CH2-CB 4.33Å; W676-L861 HydrophobicContact CH2-CD2 4.49Å; W676-L861 HydrophobicContact CZ3-CB 3.87Å
677	K	85.2	Confident	68.9	Low	37 Å²	37	56.9 Å²	56.9	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.7	175.1	-176.3	-174.8	-174.1	-154	0	108.3	F643 T644 I645 E679 R856 D858	F643-K677 PolarHBondContact O-N 3.49Å; T644-K677 CarbonylContact C-O 3.59Å; T644-K677 VanDerWaalsContact CA-O 3.32Å; T644-K677 WeakPolarHBondContact CA-O 3.47Å; T644-K677 HydrophobicContact CG2-CB 4.35Å; T644-K677 HydrophobicContact CG2-CD 4.17Å; T644-K677 HydrophobicContact CG2-CG 4.39Å; I645-K677 PolarHBondContact N-O 2.67Å; K677-E679 HydrophobicContact CD-CG 4.28Å; K677-E679 WeakPolarHBondContact CE-OE1 3.42Å; K677-E679 HydrophobicContact CG-CG 4.04Å; K677-E679 IonicContact NZ-OE1 3.37Å; K677-E679 PolarHBondContact NZ-OE1 2.86Å; K677-E679 IonicContact NZ-OE2 3.44Å; K677-R856 VanDerWaalsContact CE-CZ 3.49Å; K677-D858 WeakPolarHBondContact CG-OD1 3.03Å
678	L	87.5	Confident	71.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.2	173	-59.3	101.3	0	0	0	109.3	I645 I686 R856 L857 I859 Y904 F906	I645-L678 CarbonylContact O-C 3.5Å; I645-L678 WeakPolarHBondContact O-CA 3.32Å; L678-I686 VanDerWaalsContact C-CD1 3.45Å; L678-I686 HydrophobicContact CB-CD1 3.68Å; L678-I686 HydrophobicContact CB-CG2 3.96Å; L678-I686 HydrophobicContact CD2-CG2 4.02Å; L678-I686 HydrophobicContact CG-CG2 4.49Å; L678-I686 WeakPolarHBondContact O-CD1 3.31Å; L678-R856 WeakPolarHBondContact O-CA 3.4Å; L678-L857 WeakPolarHBondContact CD1-O 3.41Å; L678-L857 PolarHBondContact N-O 3.42Å; L678-L857 PolarHBondContact O-N 3.11Å; L678-I859 HydrophobicContact CD1-CD1 3.69Å; L678-I859 HydrophobicContact CD1-CG1 3.87Å; L678-Y904 HydrophobicContact CD2-CD1 4.31Å; L678-Y904 HydrophobicContact CD2-CD2 3.99Å; L678-Y904 HydrophobicContact CD2-CG 3.73Å; L678-F906 HydrophobicContact CB-CE1 4.47Å; L678-F906 HydrophobicContact CB-CZ 4.39Å; L678-F906 HydrophobicContact CD2-CZ 4.38Å
679	E	83.3	Confident	73.9	Confident	61 Å²	61	50.4 Å²	50.4	29%	0.285	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.2	179.4	-57.1	-172.9	119.4	0	0	110.7	I645 T646 S647 K677	I645-E679 PolarHBondContact O-N 3.43Å; T646-E679 CarbonylContact C-O 3.53Å; T646-E679 VanDerWaalsContact CA-O 3.29Å; T646-E679 WeakPolarHBondContact CA-O 3.25Å; T646-E679 HydrophobicContact CG2-CB 4.13Å; S647-E679 PolarHBondContact N-O 3.04Å; K677-E679 HydrophobicContact CD-CG 4.28Å; K677-E679 WeakPolarHBondContact CE-OE1 3.42Å; K677-E679 HydrophobicContact CG-CG 4.04Å; K677-E679 IonicContact NZ-OE1 3.37Å; K677-E679 PolarHBondContact NZ-OE1 2.86Å; K677-E679 IonicContact NZ-OE2 3.44Å
680	G	75	Confident	76	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	23%	0.226	C	C	.	.			trans	-88.8	162.8	172.6	0	0	0	0	0	112.1	P855	G680-P855 PolarHBondContact N-O 2.99Å
681	G	66	Low	77.8	Confident	21 Å²	21	41.6 Å²	41.6	22%	0.216	20%	0.203	C	C	.	.			trans	-80.3	-178.3	170.4	0	0	0	0	0	112.8	S647 Q684	S647-G681 PolarHBondContact OG-N 3.01Å; G681-Q684 WeakPolarHBondContact O-CB 3.2Å; G681-Q684 PolarHBondContact O-N 2.96Å; G681-Q684 VanDerWaalsContact O-N 3.16Å
682	Y	68.5	Low	79.2	Confident	175 Å²	175	46.4 Å²	46.4	69%	0.686	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	136.3	175.8	-177.7	-100.5	0	0	0	112	Q684 P922	Y682-Q684 PolarHBondContact O-N 2.95Å; Y682-Q684 VanDerWaalsContact O-N 3.14Å; Y682-P922 HydrophobicContact CE1-CB 4.35Å; Y682-P922 HydrophobicContact CE1-CG 4.04Å
683	G	68.9	Low	79.9	Confident	10 Å²	10	45.6 Å²	45.6	10%	0.103	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-3	-177.9	0	0	0	0	0	114.9
684	Q	81.2	Confident	79.4	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.014	22%	0.222	C	C	.	.			trans	-85.5	157.3	174.2	-62.5	-170.2	-54.1	0	0	111.1	S647 G649 K650 G681 Y682 P855 V907 T908	S647-Q684 PolarHBondContact OG-OE1 2.76Å; G649-Q684 PolarHBondContact O-NE2 2.88Å; K650-Q684 VanDerWaalsContact C-NE2 3.31Å; K650-Q684 PolarHBondContact O-NE2 2.82Å; G681-Q684 WeakPolarHBondContact O-CB 3.2Å; G681-Q684 PolarHBondContact O-N 2.96Å; G681-Q684 VanDerWaalsContact O-N 3.16Å; Y682-Q684 PolarHBondContact O-N 2.95Å; Y682-Q684 VanDerWaalsContact O-N 3.14Å; Q684-P855 WeakPolarHBondContact O-CB 3.43Å; Q684-V907 CarbonylContact C-O 3.59Å; Q684-V907 VanDerWaalsContact CA-O 3.3Å; Q684-V907 WeakPolarHBondContact CA-O 3.49Å; Q684-T908 HydrophobicContact CG-CG2 3.78Å
685	R	87.8	Confident	78.2	Confident	14 Å²	14	52.1 Å²	52.1	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149	166.6	-62	-65.1	-178.8	-102.1	7.1	108.5	M850 S851 G852 N853 V907 Y910	R685-M850 HydrophobicContact CB-CG 3.8Å; R685-M850 HydrophobicContact CB-SD 3.72Å; R685-M850 HydrophobicContact CG-SD 4.38Å; R685-S851 WeakPolarHBondContact CA-OG 3.22Å; R685-S851 WeakPolarHBondContact CD-O 3.43Å; R685-G852 WeakPolarHBondContact CD-O 3.02Å; R685-G852 PolarHBondContact NE-O 3.12Å; R685-N853 PolarHBondContact NH1-O 2.82Å; R685-N853 PolarHBondContact NH2-OD1 2.77Å; R685-V907 HydrophobicContact CB-CG2 4.19Å; R685-V907 PolarHBondContact N-O 2.97Å; R685-V907 PolarHBondContact O-N 2.83Å; R685-Y910 HydrophobicContact CG-CD1 3.69Å; R685-Y910 HydrophobicContact CG-CE1 3.82Å
686	I	92.2	Very high	76	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.3	179.2	-50.9	177.8	0	0	0	106.4	L678 I688 M850 S851 P855 L857 F906	L678-I686 VanDerWaalsContact C-CD1 3.45Å; L678-I686 HydrophobicContact CB-CD1 3.68Å; L678-I686 HydrophobicContact CB-CG2 3.96Å; L678-I686 HydrophobicContact CD2-CG2 4.02Å; L678-I686 HydrophobicContact CG-CG2 4.49Å; L678-I686 WeakPolarHBondContact O-CD1 3.31Å; I686-I688 HydrophobicContact CG2-CG2 4.29Å; I686-M850 CarbonylContact O-C 3.56Å; I686-M850 VanDerWaalsContact O-CA 3.24Å; I686-M850 WeakPolarHBondContact O-CA 3.34Å; I686-S851 PolarHBondContact N-OG 3.44Å; I686-S851 PolarHBondContact O-N 2.82Å; I686-P855 WeakPolarHBondContact CD1-O 3.24Å; I686-L857 HydrophobicContact CB-CB 4.26Å; I686-L857 HydrophobicContact CD1-CB 4.07Å; I686-L857 HydrophobicContact CG2-CB 4.25Å; I686-L857 HydrophobicContact CG2-CD2 4.09Å; I686-F906 HydrophobicContact CD1-CD1 4.45Å; I686-F906 HydrophobicContact CD1-CE1 3.92Å; I686-F906 HydrophobicContact CG1-CD1 3.85Å; I686-F906 HydrophobicContact CG1-CE1 3.79Å; I686-F906 HydrophobicContact CG2-CE1 4.38Å
687	Q	92	Very high	73.8	Confident	39 Å²	39	60.5 Å²	60.5	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.2	174.7	-177.3	-179.2	35.9	0	0	108.8	M850 Y904 K905 V907 N942	Q687-M850 HydrophobicContact CB-SD 4.4Å; Q687-Y904 CarbonylContact O-C 3.52Å; Q687-Y904 WeakPolarHBondContact O-CA 2.92Å; Q687-K905 HydrophobicContact CB-CB 4.38Å; Q687-K905 PolarHBondContact N-O 3.24Å; Q687-K905 PolarHBondContact O-N 3.09Å; Q687-V907 HydrophobicContact CB-CG2 4.23Å; Q687-N942 VanDerWaalsContact CG-OD1 3.31Å; Q687-N942 WeakPolarHBondContact CG-OD1 3.49Å; Q687-N942 PolarHBondContact NE2-OD1 2.77Å
688	I	91.8	Very high	71.1	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.8	172.5	65.7	163.8	0	0	0	110.8	I686 F690 L768 G848 F849 L857 I859 V902 Q903	I686-I688 HydrophobicContact CG2-CG2 4.29Å; I688-F690 HydrophobicContact CD1-CE2 4.36Å; I688-L768 HydrophobicContact CD1-CD1 3.9Å; I688-L768 HydrophobicContact CD1-CD2 3.5Å; I688-L768 VanDerWaalsContact CD1-CD2 3.5Å; I688-L768 HydrophobicContact CD1-CG 4.29Å; I688-G848 CarbonylContact O-C 3.55Å; I688-G848 VanDerWaalsContact O-CA 3.27Å; I688-G848 WeakPolarHBondContact O-CA 3.39Å; I688-F849 HydrophobicContact CD1-CB 4.13Å; I688-F849 HydrophobicContact CD1-CD1 4.42Å; I688-F849 HydrophobicContact CG1-CB 3.72Å; I688-F849 HydrophobicContact CG1-CD1 4.47Å; I688-F849 WeakPolarHBondContact CG1-O 3.45Å; I688-F849 PolarHBondContact N-O 3.47Å; I688-F849 PolarHBondContact O-N 3.48Å; I688-L857 HydrophobicContact CB-CD2 4.43Å; I688-L857 HydrophobicContact CD1-CD2 3.83Å; I688-L857 HydrophobicContact CG1-CD2 3.93Å; I688-L857 HydrophobicContact CG2-CD2 3.63Å; I688-I859 HydrophobicContact CD1-CD1 4.11Å; I688-I859 HydrophobicContact CD1-CG1 4.5Å; I688-I859 HydrophobicContact CG2-CD1 4.42Å; I688-V902 HydrophobicContact CB-CG1 4.02Å; I688-V902 HydrophobicContact CD1-CG1 4.43Å; I688-V902 HydrophobicContact CG2-CG1 4.32Å; I688-Q903 CarbonylContact C-O 3.58Å; I688-Q903 VanDerWaalsContact CA-O 3.24Å; I688-Q903 WeakPolarHBondContact CA-O 3.34Å
689	R	85.5	Confident	68.2	Low	117 Å²	117	75.6 Å²	75.6	44%	0.442	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.4	168.9	66.9	174.5	-172.7	149.1	4.5	110.7	V691 K847 Q903	R689-V691 HydrophobicContact CG-CG2 4.37Å; R689-K847 WeakPolarHBondContact CB-O 3.29Å; R689-Q903 HydrophobicContact CG-CB 4.01Å; R689-Q903 PolarHBondContact N-O 3.2Å; R689-Q903 PolarHBondContact O-N 3.23Å
690	F	83.9	Confident	65.5	Low	20 Å²	20	77.8 Å²	77.8	9%	0.088	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.3	179.6	-67	-90.7	0	0	0	110.2	I688 L766 L768 L834 M840 S846 Y900 V902	I688-F690 HydrophobicContact CD1-CE2 4.36Å; F690-L766 HydrophobicContact CD1-CD1 4.43Å; F690-L766 HydrophobicContact CE1-CD1 3.43Å; F690-L766 VanDerWaalsContact CE1-CD1 3.43Å; F690-L766 HydrophobicContact CZ-CD1 3.98Å; F690-L768 HydrophobicContact CE2-CD1 4.33Å; F690-L768 HydrophobicContact CZ-CD2 4.32Å; F690-L834 HydrophobicContact CD2-CD1 4.11Å; F690-L834 HydrophobicContact CE1-CD1 4.32Å; F690-L834 HydrophobicContact CE2-CD1 3.33Å; F690-L834 HydrophobicContact CZ-CD1 3.46Å; F690-L834 VanDerWaalsContact CZ-CD1 3.46Å; F690-M840 HydrophobicContact CB-CE 4.34Å; F690-M840 HydrophobicContact CD1-CE 3.24Å; F690-M840 HydrophobicContact CD2-CE 4.19Å; F690-M840 HydrophobicContact CE1-CE 3.42Å; F690-M840 VanDerWaalsContact CE1-CE 3.42Å; F690-M840 HydrophobicContact CE2-CE 4.31Å; F690-M840 HydrophobicContact CG-CE 3.64Å; F690-M840 HydrophobicContact CZ-CE 3.95Å; F690-S846 PolarHBondContact N-O 3.06Å; F690-S846 VanDerWaalsContact N-O 3.1Å; F690-Y900 HydrophobicContact CB-CD1 4.06Å; F690-Y900 HydrophobicContact CB-CG 4.4Å; F690-V902 HydrophobicContact CD1-CG2 4.05Å; F690-V902 HydrophobicContact CE1-CG2 3.58Å; F690-V902 HydrophobicContact CZ-CG2 4.32Å
691	V	78.8	Confident	63.2	Low	47 Å²	47	85.6 Å²	85.6	29%	0.285	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.9	179.4	-176.4	0	0	0	0	108	F655 R689 R693 Y900 D901 Q903	F655-V691 HydrophobicContact CE1-CG2 4.24Å; R689-V691 HydrophobicContact CG-CG2 4.37Å; V691-R693 PolarHBondContact O-N 3.16Å; V691-Y900 CarbonylContact O-C 3.53Å; V691-Y900 VanDerWaalsContact O-CA 3.25Å; V691-Y900 WeakPolarHBondContact O-CA 3.35Å; V691-D901 PolarHBondContact N-O 3.5Å; V691-D901 PolarHBondContact O-N 2.9Å; V691-Q903 HydrophobicContact CG2-CB 4.09Å
692	R	73.8	Confident	61.2	Low	170 Å²	170	92.9 Å²	92.9	64%	0.642	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.5	179	-169.4	179.4	-175.4	178.2	4.7	109.5	L694 Y900	R692-L694 PolarHBondContact O-N 3.33Å; R692-Y900 HydrophobicContact CB-CD1 4.06Å; R692-Y900 HydrophobicContact CB-CE1 3.77Å; R692-Y900 HydrophobicContact CG-CE1 4.19Å
693	R	68.3	Low	59.1	Low	54 Å²	54	94.9 Å²	94.9	20%	0.204	46%	0.459	C	S	.	.			trans	-75.8	119.8	175.1	-163.9	-179.2	-66.1	159.4	-3.8	108.5	I658 N660 V691 D695 D897 G899 D901	I658-R693 PolarHBondContact O-NH2 2.96Å; N660-R693 PolarHBondContact OD1-NH1 2.98Å; N660-R693 VanDerWaalsContact OD1-NH1 3.11Å; V691-R693 PolarHBondContact O-N 3.16Å; R693-D695 PolarHBondContact O-N 2.83Å; R693-D897 IonicContact NH1-OD1 3.83Å; R693-D897 PolarHBondContact NH1-OD1 2.03Å; R693-D897 IonicContact NH1-OD2 2.96Å; R693-D897 PolarHBondContact NH1-OD2 2.81Å; R693-G899 PolarHBondContact N-O 3.22Å; R693-D901 IonicContact CZ-OD1 2.8Å; R693-D901 IonicContact NE-OD1 3.64Å; R693-D901 PolarHBondContact NE-OD1 3.36Å; R693-D901 IonicContact NE-OD2 3.38Å; R693-D901 PolarHBondContact NE-OD2 3.31Å; R693-D901 IonicContact NH2-OD1 3.65Å; R693-D901 PolarHBondContact NH2-OD1 2.77Å
694	L	58	Low	56.8	Low	150 Å²	150	103.5 Å²	103.5	79%	0.785	50%	0.497	S	S	*	.			trans	-83.8	100.3	172	-73.3	166	0	0	0	107.9	R692 N696	R692-L694 PolarHBondContact O-N 3.33Å; L694-N696 PolarHBondContact O-N 2.79Å
695	D	47.2	Very low	54	Low	84 Å²	84	115.2 Å²	115.2	45%	0.449	54%	0.541	S	S	.	.			trans	-69.5	102.2	170.6	-72.2	-24.4	0	0	0	109.1	R693 S697	R693-D695 PolarHBondContact O-N 2.83Å; D695-S697 PolarHBondContact O-N 3.09Å
696	N	36.6	Very low	51.2	Low	168 Å²	168	119.6 Å²	119.6	90%	0.898	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	10.4	167.2	-84.3	-9.7	0	0	0	113.1	L694	L694-N696 PolarHBondContact O-N 2.79Å
697	S	37.9	Very low	48	Very low	84 Å²	84	129.1 Å²	129.1	59%	0.587	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	11	-174.2	59.1	0	0	0	0	115.4	D695	D695-S697 PolarHBondContact O-N 3.09Å
698	Q	29.4	Very low	44.9	Very low	164 Å²	164	133.9 Å²	133.9	77%	0.766	64%	0.644	S	S	*	*			trans	-112.7	24.7	170.5	-67.1	-164.1	2.2	0	0	115	T700	Q698-T700 PolarHBondContact O-N 2.76Å
699	Q	26.9	Very low	41.7	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.883	68%	0.676	S	S	*	*	S	Bend	trans	-90	60.9	146.2	-74.7	-169.1	15.3	0	0	109.8
700	T	26.5	Very low	39.1	Very low	108 Å²	108	139.4 Å²	139.4	66%	0.663	70%	0.695	S	S	*	*	S	Bend	trans	-176.5	85.5	155.6	25.2	0	0	0	0	105.7	Q698	Q698-T700 PolarHBondContact O-N 2.76Å
701	H	26.2	Very low	36.5	Very low	180 Å²	180	142.8 Å²	142.8	83%	0.833	72%	0.721	S	S	*	*	S	Bend	trans	158.1	97.4	144.6	-79.6	-62.1	0	0	0	108.5
702	Q	23.1	Very low	34.2	Very low	174 Å²	174	147 Å²	147	81%	0.813	74%	0.738	S	S	*	*	S	Bend	trans	73.8	70	158.2	-60	-177.2	-25.2	0	0	118.8
703	F	24.6	Very low	32.2	Very low	216 Å²	216	143.5 Å²	143.5	95%	0.947	74%	0.735	S	S	*	*				-133.2	93.4	124.5	-89.5	-78.9	0	0	0	108.7
704	Q	21.5	Very low	30.3	Very low	191 Å²	191	147.4 Å²	147.4	89%	0.893	76%	0.761	S	S	*	*			trans	-69.3	129.3	163.1	-76.3	177.4	-30.6	0	0	108.2
705	R	22	Very low	28.9	Very low	250 Å²	250	145.9 Å²	145.9	94%	0.943	75%	0.753	S	S	*	*			trans	94.2	82.2	152.6	-151.6	-176.7	-119.2	-174.9	-1.8	118
706	S	28.7	Very low	27.9	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	76%	0.759	S	S	*	*				-160.9	125.9	127.5	52.7	0	0	0	0	109.9	I708	S706-I708 PolarHBondContact O-N 2.54Å
707	Q	24.6	Very low	27.5	Very low	200 Å²	200	145 Å²	145	94%	0.935	75%	0.752	S	S	*	*			trans	-67.8	116.1	-178.1	-63.9	168.5	-37	0	0	110.2
708	I	27.3	Very low	26.9	Very low	139 Å²	139	144.5 Å²	144.5	71%	0.713	75%	0.749	S	S	*	*			trans	-130.4	123.7	159.7	-56.8	179.2	0	0	0	107	S706	S706-I708 PolarHBondContact O-N 2.54Å
709	T	25.7	Very low	26.6	Very low	111 Å²	111	141.6 Å²	141.6	68%	0.681	74%	0.738	S	S	*	*			trans	-71.9	144	-169.3	40.6	0	0	0	0	112.4	S711	T709-S711 PolarHBondContact O-N 2.02Å
710	S	30.7	Very low	26.6	Very low	122 Å²	122	142.2 Å²	142.2	85%	0.853	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	39.3	-168.6	55.8	0	0	0	0	116
711	S	29.3	Very low	26.4	Very low	91 Å²	91	146.2 Å²	146.2	64%	0.636	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-5	175.5	59.5	0	0	0	0	114.7	T709	T709-S711 PolarHBondContact O-N 2.02Å
712	E	30.7	Very low	26.3	Very low	135 Å²	135	141.4 Å²	141.4	63%	0.631	73%	0.734	S	S	*	*	S	Bend	trans	-100.7	3.2	179.6	-70	179.1	167	0	0	114.2
713	V	32	Very low	26.2	Very low	97 Å²	97	139.2 Å²	139.2	59%	0.588	73%	0.728	S	S	*	*	S	Bend	trans	-80.5	-21.5	-179.8	-179.7	0	0	0	0	112.7
714	N	28.2	Very low	26.1	Very low	137 Å²	137	137.7 Å²	137.7	73%	0.733	72%	0.721	S	S	*	*	S	Bend	trans	-83.1	-16.4	-177.6	-72.7	-14.2	0	0	0	114.3
715	D	27.2	Very low	26.1	Very low	118 Å²	118	135.7 Å²	135.7	63%	0.631	72%	0.715	S	S	*	*	S	Bend	trans	-85.4	-12.3	173.8	-74.4	-23	0	0	0	113
716	L	26.1	Very low	26	Very low	110 Å²	110	131.6 Å²	131.6	58%	0.576	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-19.5	178.9	-89.4	150.3	0	0	0	113.8
717	V	28.6	Very low	25.6	Very low	122 Å²	122	136 Å²	136	74%	0.739	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-23	-177.3	-177	0	0	0	0	112.2
718	S	25.2	Very low	25.4	Very low	75 Å²	75	133.4 Å²	133.4	52%	0.524	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-15	-179.7	51.2	0	0	0	0	115.3
719	N	24	Very low	25.3	Very low	103 Å²	103	135 Å²	135	55%	0.551	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-93.2	0.2	-176	-80.9	-9.2	0	0	0	115.8
720	Y	26	Very low	25.2	Very low	202 Å²	202	137.7 Å²	137.7	79%	0.792	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-92.7	-0.4	179.2	-84.4	-74.6	0	0	0	115.7
721	M	23.6	Very low	24.9	Very low	192 Å²	192	142.1 Å²	142.1	95%	0.946	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-101.1	3.9	175.2	-79.9	-159.4	130.7	0	0	115
722	S	22.5	Very low	24.4	Very low	79 Å²	79	141.6 Å²	141.6	55%	0.552	72%	0.723	S	S	*	*			trans	-158.1	59.4	-178.1	61.7	0	0	0	0	114.3
723	D	22	Very low	23.9	Very low	127 Å²	127	138.7 Å²	138.7	68%	0.679	73%	0.73	S	S	*	*			trans	-112.8	75.5	160.1	-80.8	-14.3	0	0	0	109.4	I725	D723-I725 PolarHBondContact O-N 2.8Å
724	F	22.1	Very low	23.4	Very low	185 Å²	185	139.1 Å²	139.1	81%	0.811	74%	0.738	S	S	*	*	S	Bend	trans	-54.6	117.5	130.4	-77.6	-89.7	0	0	0	104.8	Q726	F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 2.87Å
725	I	21.1	Very low	23	Very low	148 Å²	148	139.2 Å²	139.2	76%	0.759	74%	0.737	S	S	*	*			trans	-50.3	97	-178.7	-62.9	168.6	0	0	0	108.7	D723	D723-I725 PolarHBondContact O-N 2.8Å
726	Q	20.3	Very low	22.8	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	75%	0.751	S	S	*	*			trans	-76.1	126.4	154.5	-89.1	-172.3	-19.9	0	0	105.4	F724 N728	F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 2.87Å; Q726-N728 PolarHBondContact O-N 2.85Å
727	Y	20.6	Very low	22.5	Very low	199 Å²	199	148 Å²	148	78%	0.78	76%	0.759	S	S	*	*			trans	-60.3	92.1	-179.9	-165.4	-90.9	0	0	0	109.9	Q729	Y727-Q729 HydrophobicContact CD1-CG 3.86Å; Y727-Q729 HydrophobicContact CE1-CG 3.84Å; Y727-Q729 PolarHBondContact O-N 2.96Å
728	N	20.2	Very low	22.2	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	77%	0.765	S	S	*	*			trans	-73.6	112.5	167.3	-82.1	-22.8	0	0	0	108.2	Q726 E730	Q726-N728 PolarHBondContact O-N 2.85Å; N728-E730 PolarHBondContact O-N 3.17Å
729	Q	25.6	Very low	22	Very low	171 Å²	171	156.7 Å²	156.7	80%	0.799	78%	0.781	S	S	*	*	S	Bend	trans	-66.4	14.5	-178.1	-93.3	-179	-17.2	0	0	115.5	Y727	Y727-Q729 HydrophobicContact CD1-CG 3.86Å; Y727-Q729 HydrophobicContact CE1-CG 3.84Å; Y727-Q729 PolarHBondContact O-N 2.96Å
730	E	23.7	Very low	22	Very low	168 Å²	168	160.7 Å²	160.7	79%	0.785	80%	0.796	S	S	*	*			trans	-124.4	54.7	-171.6	-70.3	-169.7	159.2	0	0	113.4	N728	N728-E730 PolarHBondContact O-N 3.17Å
731	F	23.2	Very low	21.6	Very low	215 Å²	215	160.1 Å²	160.1	94%	0.943	80%	0.8	S	S	*	*			trans	-145.5	56	148.7	-85.2	-71.1	0	0	0	110.4
732	G	19.7	Very low	21.7	Very low	80 Å²	80	156.7 Å²	156.7	83%	0.825	79%	0.792	S	S	*	*			trans	-77.6	113	153.9	0	0	0	0	0	109.6
733	G	19.9	Very low	21.8	Very low	75 Å²	75	160.4 Å²	160.4	77%	0.773	81%	0.806	S	S	*	*			trans	102.6	97.9	159.2	0	0	0	0	0	116.4
734	S	22.3	Very low	21.8	Very low	106 Å²	106	161.6 Å²	161.6	74%	0.741	81%	0.811	S	S	*	*			trans	-132.3	95.3	140.2	77	0	0	0	0	110.2	Y736	S734-Y736 PolarHBondContact O-N 2.99Å
735	I	20.1	Very low	21.9	Very low	139 Å²	139	163.1 Å²	163.1	71%	0.713	81%	0.813	S	S	*	*			trans	22.1	90.9	133.6	-47.9	170.8	0	0	0	115.2	K737	I735-K737 HydrophobicContact CG2-CB 4.23Å; I735-K737 HydrophobicContact CG2-CD 4.23Å; I735-K737 HydrophobicContact CG2-CG 4.03Å
736	Y	21.8	Very low	22.1	Very low	237 Å²	237	163.3 Å²	163.3	93%	0.929	82%	0.815	S	S	*	*			trans	-106.2	92.6	139.6	-88.8	-85.2	0	0	0	108.3	S734	S734-Y736 PolarHBondContact O-N 2.99Å
737	K	19.7	Very low	22.2	Very low	174 Å²	174	164 Å²	164	76%	0.757	82%	0.822	S	S	*	*			trans	-85.4	156.2	160.9	-83.3	178.2	175.5	177.1	0	108.6	I735	I735-K737 HydrophobicContact CG2-CB 4.23Å; I735-K737 HydrophobicContact CG2-CD 4.23Å; I735-K737 HydrophobicContact CG2-CG 4.03Å
738	Q	22.3	Very low	22.4	Very low	183 Å²	183	162.4 Å²	162.4	86%	0.855	82%	0.822	S	S	*	*			trans	88.2	95.4	173.7	-60.1	177.8	-12.7	0	0	113.4
739	K	21.3	Very low	22.6	Very low	198 Å²	198	162.4 Å²	162.4	86%	0.861	82%	0.817	S	S	*	*				46.6	94.1	82	-78.2	-168.4	175	-175.3	0	112.1
740	H	23.3	Very low	22.7	Very low	187 Å²	187	161.4 Å²	161.4	87%	0.866	82%	0.816	S	S	*	*				-147.8	115.4	126.3	-91.9	-69.4	0	0	0	107.7	P742	H740-P742 WeakPolarHBondContact O-CD 3.24Å
741	Q	19.2	Very low	22.9	Very low	190 Å²	190	158.3 Å²	158.3	89%	0.888	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.5	158.6	-76.2	166	-65.4	0	0	107.3
742	P	25.3	Very low	23.2	Very low	119 Å²	119	152 Å²	152	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-93.7	136	151.8	3.3	17.4	0	0	0	108.7	H740	H740-P742 WeakPolarHBondContact O-CD 3.24Å
743	D	23.2	Very low	23.8	Very low	157 Å²	157	151.8 Å²	151.8	84%	0.84	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-60	141.6	-178.2	-70.2	-57.4	0	0	0	113.1	Y745	D743-Y745 PolarHBondContact O-N 2.9Å
744	I	22.4	Very low	24.4	Very low	152 Å²	152	155.4 Å²	155.4	78%	0.779	77%	0.765	S	S	*	*	S	Bend	trans	-71.9	102.3	169.6	-64.5	162.4	0	0	0	106.6
745	Y	24.7	Very low	25.1	Very low	217 Å²	217	156.7 Å²	156.7	85%	0.851	76%	0.762	S	S	*	*			trans	-173.6	143.4	143.5	-84.6	-64	0	0	0	107.5	D743	D743-Y745 PolarHBondContact O-N 2.9Å
746	D	24.4	Very low	25.9	Very low	152 Å²	152	158.5 Å²	158.5	81%	0.813	77%	0.765	S	S	*	*			trans	85.3	62.1	-175.7	-57.8	-19.5	0	0	0	117.2	Q748	D746-Q748 PolarHBondContact O-N 2.89Å
747	I	24	Very low	26.6	Very low	178 Å²	178	153.5 Å²	153.5	91%	0.913	75%	0.754	S	S	*	*			trans	-85.3	90.2	149.5	-58.4	172.6	0	0	0	106.5
748	Q	24.9	Very low	27.6	Very low	166 Å²	166	149.6 Å²	149.6	78%	0.776	74%	0.741	S	S	*	*			trans	-104.5	131.4	157.1	-80.7	-174.3	-14.3	0	0	108.4	D746 I750	D746-Q748 PolarHBondContact O-N 2.89Å; Q748-I750 PolarHBondContact O-N 3.06Å; Q748-I750 VanDerWaalsContact O-N 3.12Å
749	E	24.6	Very low	29.1	Very low	147 Å²	147	149.8 Å²	149.8	69%	0.687	74%	0.739	S	S	*	*			trans	-41.4	106	-177.9	-67.9	162.7	154.4	0	0	113.1	E751	E749-E751 PolarHBondContact O-N 3.27Å
750	I	27.6	Very low	31	Very low	150 Å²	150	141.6 Å²	141.6	77%	0.769	71%	0.707	S	S	*	*			trans	-95	78.6	160.6	-58.1	176.3	0	0	0	106.7	Q748 S752	Q748-I750 PolarHBondContact O-N 3.06Å; Q748-I750 VanDerWaalsContact O-N 3.12Å; I750-S752 PolarHBondContact O-N 3.42Å; I750-S752 VanDerWaalsContact O-N 3.11Å
751	E	26.7	Very low	33	Very low	103 Å²	103	137.2 Å²	137.2	48%	0.481	70%	0.695	S	S	.	*			trans	-75.9	77	162.4	-73.2	-171.3	149.9	0	0	109.6	E749 Q798	E749-E751 PolarHBondContact O-N 3.27Å; E751-Q798 VanDerWaalsContact CD-NE2 3.31Å; E751-Q798 PolarHBondContact OE1-NE2 2.87Å; E751-Q798 WeakPolarHBondContact OE2-CG 3.12Å; E751-Q798 PolarHBondContact OE2-NE2 2.76Å
752	S	30.9	Very low	35.1	Very low	81 Å²	81	128.6 Å²	128.6	57%	0.566	66%	0.655	S	S	*	*	S	Bend	trans	-164.5	130.5	156.8	57.9	0	0	0	0	108.1	I750 F754	I750-S752 PolarHBondContact O-N 3.42Å; I750-S752 VanDerWaalsContact O-N 3.11Å; S752-F754 PolarHBondContact O-N 2.89Å
753	S	30.4	Very low	36.9	Very low	76 Å²	76	125.1 Å²	125.1	53%	0.531	63%	0.633	S	S	.	*			trans	-51.1	109.8	-172.4	61	0	0	0	0	112.3	L755 K756	S753-L755 PolarHBondContact O-N 2.83Å; S753-K756 PolarHBondContact O-N 3.23Å; S753-K756 VanDerWaalsContact O-N 3.13Å
754	F	34	Very low	39.1	Very low	152 Å²	152	118 Å²	118	67%	0.667	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-47.7	-19.5	172.1	163.7	-101.2	0	0	0	113.7	S752 K756 D757 L758	S752-F754 PolarHBondContact O-N 2.89Å; F754-K756 PolarHBondContact O-N 3.18Å; F754-D757 PolarHBondContact O-N 3.19Å; F754-L758 HydrophobicContact CD1-CD1 4.09Å; F754-L758 HydrophobicContact CE1-CD1 3.55Å; F754-L758 HydrophobicContact CE1-CG 4.21Å; F754-L758 HydrophobicContact CZ-CD1 3.95Å; F754-L758 HydrophobicContact CZ-CD2 4.16Å; F754-L758 HydrophobicContact CZ-CG 4.11Å
755	L	36.8	Very low	41.7	Very low	132 Å²	132	111.2 Å²	111.2	69%	0.691	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-69.2	-21.7	179.8	-69.2	168	0	0	0	115	S753 L758	S753-L755 PolarHBondContact O-N 2.83Å; L755-L758 HydrophobicContact CD2-CD1 4.26Å
756	K	36.6	Very low	44.6	Very low	177 Å²	177	100.9 Å²	100.9	77%	0.77	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-77.8	-19	177.7	-82.2	-177.1	178	175	0	113.9	S753 F754	S753-K756 PolarHBondContact O-N 3.23Å; S753-K756 VanDerWaalsContact O-N 3.13Å; F754-K756 PolarHBondContact O-N 3.18Å
757	D	35.6	Very low	47.5	Very low	133 Å²	133	94 Å²	94	71%	0.711	48%	0.484	S	S	*	.	S	Bend	trans	-99.6	-6.3	-174.9	-67.6	-32.9	0	0	0	114.5	F754 K759	F754-D757 PolarHBondContact O-N 3.19Å; D757-K759 VanDerWaalsContact C-N 3.27Å; D757-K759 PolarHBondContact O-N 2.92Å
758	L	41	Very low	50.7	Low	91 Å²	91	85.6 Å²	85.6	48%	0.476	44%	0.441	S	S	.	.			trans	-72.8	80.6	171.3	-77.6	157.4	0	0	0	110.2	F754 L755	F754-L758 HydrophobicContact CD1-CD1 4.09Å; F754-L758 HydrophobicContact CE1-CD1 3.55Å; F754-L758 HydrophobicContact CE1-CG 4.21Å; F754-L758 HydrophobicContact CZ-CD1 3.95Å; F754-L758 HydrophobicContact CZ-CD2 4.16Å; F754-L758 HydrophobicContact CZ-CG 4.11Å; L755-L758 HydrophobicContact CD2-CD1 4.26Å
759	K	54	Low	53.6	Low	187 Å²	187	78.8 Å²	78.8	81%	0.813	41%	0.41	S	S	*	.			trans	-67	130.3	167.5	-72.5	-179	-179.9	174	0	109	D757	D757-K759 VanDerWaalsContact C-N 3.27Å; D757-K759 PolarHBondContact O-N 2.92Å
760	C	61.9	Low	56.6	Low	26 Å²	26	72.2 Å²	72.2	18%	0.176	38%	0.379	C	S	.	.			trans	-57	134.8	169.6	-79.5	0	0	0	0	109.3	T762 C835	C760-T762 PolarHBondContact O-N 3.17Å; C760-C835 WeakPolarHBondContact CA-SG 3.4Å; C760-C835 HydrophobicContact CB-CB 3.73Å; C760-C835 WeakPolarHBondContact CB-SG 3.45Å; C760-C835 WeakPolarHBondContact SG-CA 3.44Å; C760-C835 WeakPolarHBondContact SG-CB 3.48Å; C760-C835 CovalentContact SG-SG 2.04Å; C760-C835 PolarHBondContact SG-SG 3.22Å
761	P	64	Low	59.2	Low	95 Å²	95	65.8 Å²	65.8	62%	0.617	35%	0.346	S	S	*	.	S	Bend	trans	-67.5	-16.1	174.6	27.3	-33	0	0	0	112	F839	P761-F839 HydrophobicContact CB-CZ 4.43Å; P761-F839 HydrophobicContact CG-CD1 4.08Å; P761-F839 HydrophobicContact CG-CD2 4.11Å; P761-F839 HydrophobicContact CG-CE1 3.83Å; P761-F839 HydrophobicContact CG-CE2 3.84Å; P761-F839 HydrophobicContact CG-CG 4.24Å; P761-F839 HydrophobicContact CG-CZ 3.71Å
762	T	64	Low	61.3	Low	10 Å²	10	66.8 Å²	66.8	6%	0.061	35%	0.345	C	S	.	.	S	Bend	trans	-97.3	150.6	178.8	54.2	0	0	0	0	112.5	C760 M764 A836 F839 Y895	C760-T762 PolarHBondContact O-N 3.17Å; T762-M764 PolarHBondContact O-N 2.81Å; T762-M764 PolarHBondContact OG1-O 2.83Å; T762-A836 VanDerWaalsContact CG2-O 3.28Å; T762-A836 WeakPolarHBondContact CG2-O 3.33Å; T762-A836 PolarHBondContact OG1-N 3.08Å; T762-F839 HydrophobicContact CG2-CD2 4.1Å; T762-F839 HydrophobicContact CG2-CE2 4.35Å; T762-Y895 HydrophobicContact CG2-CD2 3.75Å; T762-Y895 HydrophobicContact CG2-CE2 4.05Å; T762-Y895 HydrophobicContact CG2-CG 4.42Å
763	S	62.5	Low	62.7	Low	45 Å²	45	65.1 Å²	65.1	32%	0.315	34%	0.336	S	S	.	.	S	Bend	trans	-64.7	-23.9	174.3	49.2	0	0	0	0	112.9	I863 S864	S763-I863 CarbonylContact O-C 3.56Å; S763-S864 WeakPolarHBondContact CA-OG 3.5Å; S763-S864 VanDerWaalsContact CB-O 3.31Å; S763-S864 WeakPolarHBondContact CB-O 2.96Å; S763-S864 PolarHBondContact O-N 3.46Å; S763-S864 PolarHBondContact O-OG 2.83Å
764	M	70.3	Confident	63.7	Low	9 Å²	9	63.8 Å²	63.8	4%	0.044	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.1	179.4	-68.4	-167.9	-98.1	0	0	112.2	I663 T762 A836 K862 I863 Y895	I663-M764 HydrophobicContact CD1-CE 3.43Å; I663-M764 VanDerWaalsContact CD1-CE 3.43Å; I663-M764 HydrophobicContact CD1-SD 4.03Å; T762-M764 PolarHBondContact O-N 2.81Å; T762-M764 PolarHBondContact OG1-O 2.83Å; M764-A836 HydrophobicContact CB-CB 3.8Å; M764-A836 VanDerWaalsContact O-CB 3.31Å; M764-A836 WeakPolarHBondContact O-CB 3.44Å; M764-A836 PolarHBondContact O-N 3.27Å; M764-A836 VanDerWaalsContact O-N 3.09Å; M764-K862 WeakPolarHBondContact CA-O 3.26Å; M764-I863 HydrophobicContact CG-CG1 4.15Å; M764-I863 HydrophobicContact CG-CG2 4.23Å; M764-I863 HydrophobicContact SD-CG1 4.42Å; M764-Y895 WeakPolarHBondContact CE-O 3.26Å
765	A	76.4	Confident	64	Low	9 Å²	9	62.4 Å²	62.4	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.4	172.4	0	0	0	0	0	110.4	R833 L834 K862	A765-R833 HydrophobicContact CB-CG 4.1Å; A765-L834 CarbonylContact C-O 3.56Å; A765-L834 VanDerWaalsContact CA-O 3.22Å; A765-L834 WeakPolarHBondContact CA-O 3.47Å; A765-K862 PolarHBondContact N-O 3.23Å; A765-K862 PolarHBondContact O-N 3.35Å
766	L	85.9	Confident	63.8	Low	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.8	167.9	-76.3	169.6	0	0	0	109.7	I658 F690 R833 L834 M840 I859 V860 L861 L898	I658-L766 HydrophobicContact CD1-CD1 4.09Å; I658-L766 HydrophobicContact CD1-CD2 4.06Å; F690-L766 HydrophobicContact CD1-CD1 4.43Å; F690-L766 HydrophobicContact CE1-CD1 3.43Å; F690-L766 VanDerWaalsContact CE1-CD1 3.43Å; F690-L766 HydrophobicContact CZ-CD1 3.98Å; L766-R833 CarbonylContact O-C 3.52Å; L766-R833 WeakPolarHBondContact O-CA 3.33Å; L766-L834 HydrophobicContact CB-CB 4.38Å; L766-L834 PolarHBondContact N-O 2.86Å; L766-L834 PolarHBondContact O-N 2.89Å; L766-M840 HydrophobicContact CD1-CE 4.16Å; L766-I859 HydrophobicContact CD2-CG2 3.89Å; L766-V860 CarbonylContact C-O 3.48Å; L766-V860 WeakPolarHBondContact CA-O 3.27Å; L766-L861 HydrophobicContact CD2-CB 4.08Å; L766-L861 HydrophobicContact CD2-CD1 4.04Å; L766-L861 HydrophobicContact CG-CD1 4.46Å; L766-L898 HydrophobicContact CD1-CD1 3.87Å; L766-L898 HydrophobicContact CD1-CD2 3.47Å; L766-L898 VanDerWaalsContact CD1-CD2 3.47Å; L766-L898 HydrophobicContact CD1-CG 4.3Å; L766-L898 HydrophobicContact CG-CD1 3.92Å; L766-L898 HydrophobicContact CG-CD2 4.41Å
767	E	86.5	Confident	63.4	Low	7 Å²	7	58.3 Å²	58.3	3%	0.033	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.5	171.7	-73.5	-175.8	177.7	0	0	109.7	P831 V832 R833 I859 V860 K862	E767-P831 HydrophobicContact CB-CB 3.87Å; E767-P831 HydrophobicContact CG-CB 4.08Å; E767-V832 WeakPolarHBondContact CA-O 3.22Å; E767-R833 HydrophobicContact CG-CB 4.36Å; E767-R833 HydrophobicContact CG-CG 4.3Å; E767-R833 IonicContact OE1-CZ 3.36Å; E767-R833 IonicContact OE1-NE 3.1Å; E767-R833 PolarHBondContact OE1-NE 3.32Å; E767-R833 VanDerWaalsContact OE1-NE 3.1Å; E767-R833 IonicContact OE1-NH2 3.88Å; E767-R833 PolarHBondContact OE1-NH2 2.81Å; E767-I859 WeakPolarHBondContact O-CA 3.2Å; E767-V860 HydrophobicContact CB-CB 4.28Å; E767-V860 PolarHBondContact N-O 3.5Å; E767-V860 PolarHBondContact O-N 3.27Å; E767-K862 HydrophobicContact CG-CD 4.28Å; E767-K862 VanDerWaalsContact OE1-CD 3.3Å; E767-K862 WeakPolarHBondContact OE1-CD 3.22Å; E767-K862 VanDerWaalsContact OE1-CE 3.32Å; E767-K862 WeakPolarHBondContact OE1-CE 3.36Å; E767-K862 IonicContact OE1-NZ 3.02Å; E767-K862 PolarHBondContact OE1-NZ 2.85Å; E767-K862 WeakPolarHBondContact OE2-CE 3.27Å; E767-K862 IonicContact OE2-NZ 2.74Å; E767-K862 PolarHBondContact OE2-NZ 3.49Å
768	L	89.3	Confident	63	Low	1 Å²	1	57.5 Å²	57.5	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.2	175.3	-52.5	176.6	0	0	0	108.1	I688 F690 P831 V832 L834 F849 I859	I688-L768 HydrophobicContact CD1-CD1 3.9Å; I688-L768 HydrophobicContact CD1-CD2 3.5Å; I688-L768 VanDerWaalsContact CD1-CD2 3.5Å; I688-L768 HydrophobicContact CD1-CG 4.29Å; F690-L768 HydrophobicContact CE2-CD1 4.33Å; F690-L768 HydrophobicContact CZ-CD2 4.32Å; L768-P831 WeakPolarHBondContact O-CA 3.44Å; L768-V832 HydrophobicContact CB-CB 4.3Å; L768-V832 PolarHBondContact N-O 2.77Å; L768-V832 PolarHBondContact O-N 3.29Å; L768-L834 HydrophobicContact CD1-CD1 4.01Å; L768-F849 HydrophobicContact CB-CD1 4.13Å; L768-F849 HydrophobicContact CB-CE1 3.95Å; L768-F849 HydrophobicContact CB-CZ 4.32Å; L768-F849 HydrophobicContact CD1-CB 3.93Å; L768-F849 HydrophobicContact CD1-CD1 3.95Å; L768-F849 HydrophobicContact CD1-CD2 4.2Å; L768-F849 HydrophobicContact CD1-CG 3.76Å; L768-I859 HydrophobicContact CD2-CB 4.47Å; L768-I859 HydrophobicContact CD2-CG1 3.98Å; L768-I859 HydrophobicContact CD2-CG2 4.18Å
769	I	87.1	Confident	62.6	Low	23 Å²	23	59.4 Å²	59.4	12%	0.118	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.6	-175.9	-58.8	165.3	0	0	0	108.8	Y771 P828 P831 D858 V860	I769-Y771 HydrophobicContact CG2-CE2 3.97Å; I769-P828 HydrophobicContact CG2-CB 3.72Å; I769-P831 HydrophobicContact CG1-CB 3.94Å; I769-D858 HydrophobicContact CB-CB 4.19Å; I769-D858 PolarHBondContact N-O 3.26Å; I769-D858 PolarHBondContact O-N 3.03Å; I769-D858 VanDerWaalsContact O-N 3.09Å; I769-V860 HydrophobicContact CD1-CG2 3.77Å
770	N	87.5	Confident	61.6	Low	9 Å²	9	57 Å²	57	5%	0.048	33%	0.325	C	S	.	.			trans	-87.8	163.4	166.5	-91.7	-15.5	0	0	0	110.7	L829 F849 M850 S851 L857 I949	N770-L829 HydrophobicContact CB-CD1 4.17Å; N770-L829 PolarHBondContact O-N 2.81Å; N770-F849 WeakPolarHBondContact ND2-CE1 3.42Å; N770-F849 VanDerWaalsContact ND2-CZ 3.26Å; N770-F849 WeakPolarHBondContact ND2-CZ 3.1Å; N770-M850 PolarHBondContact ND2-O 2.8Å; N770-S851 WeakPolarHBondContact OD1-CA 3.27Å; N770-L857 WeakPolarHBondContact OD1-CD1 3.35Å; N770-I949 HydrophobicContact CB-CD1 4Å
771	Y	82.4	Confident	60.2	Low	16 Å²	16	59.9 Å²	59.9	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137	-177.3	-72.5	-86.4	0	0	0	110.1	I769 S826 P828 R856 D858	I769-Y771 HydrophobicContact CG2-CE2 3.97Å; Y771-S826 WeakPolarHBondContact CD1-O 3.43Å; Y771-S826 WeakPolarHBondContact CD1-OG 3.29Å; Y771-P828 HydrophobicContact CD1-CB 4.41Å; Y771-P828 HydrophobicContact CE1-CB 3.9Å; Y771-R856 HydrophobicContact CD2-CB 4.14Å; Y771-R856 HydrophobicContact CD2-CG 3.78Å; Y771-R856 HydrophobicContact CE2-CG 3.92Å; Y771-R856 PolarHBondContact OH-NH2 3.45Å; Y771-R856 VanDerWaalsContact OH-NH2 3.14Å; Y771-D858 HydrophobicContact CE2-CB 4.18Å; Y771-D858 PolarHBondContact OH-OD2 3.22Å
772	R	69.8	Low	58.5	Low	123 Å²	123	62.1 Å²	62.1	46%	0.464	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.7	166.4	67.7	172.6	-174.7	-159.9	2.2	110.1	D774 S826 T827 L829 I854	R772-D774 IonicContact NE-OD1 3.36Å; R772-S826 CarbonylContact O-C 3.52Å; R772-S826 WeakPolarHBondContact O-CA 3.33Å; R772-T827 WeakPolarHBondContact CD-OG1 3.14Å; R772-T827 WeakPolarHBondContact CG-OG1 3.49Å; R772-T827 PolarHBondContact N-O 3.08Å; R772-T827 PolarHBondContact NE-OG1 2.69Å; R772-T827 PolarHBondContact O-N 3.22Å; R772-L829 HydrophobicContact CB-CD1 4.27Å; R772-L829 HydrophobicContact CB-CD2 4.26Å; R772-L829 HydrophobicContact CB-CG 4.33Å; R772-L829 HydrophobicContact CG-CD2 3.96Å; R772-L829 HydrophobicContact CG-CG 4.3Å; R772-I854 VanDerWaalsContact O-CD1 3.31Å; R772-I854 WeakPolarHBondContact O-CD1 3.44Å
773	A	61.1	Low	56.8	Low	46 Å²	46	65.5 Å²	65.5	38%	0.38	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.4	170.1	0	0	0	0	0	108.6	V775 V824 I854	A773-V775 PolarHBondContact O-N 3.11Å; A773-V775 VanDerWaalsContact O-N 3.14Å; A773-V824 HydrophobicContact CB-CG1 4.2Å; A773-I854 HydrophobicContact CB-CD1 4.28Å
774	D	51.3	Low	55.3	Low	49 Å²	49	70 Å²	70	26%	0.262	37%	0.373	S	S	.	.			trans	-70.6	108.3	169	-79.4	-3.1	0	0	0	109.3	R772 L776 E825 T827	R772-D774 IonicContact NE-OD1 3.36Å; D774-L776 PolarHBondContact O-N 3.4Å; D774-E825 WeakPolarHBondContact CB-O 3.34Å; D774-E825 PolarHBondContact N-O 2.88Å; D774-E825 WeakPolarHBondContact OD2-CB 3.35Å; D774-E825 VanDerWaalsContact OD2-O 3.05Å; D774-T827 WeakPolarHBondContact OD1-CB 3.28Å; D774-T827 WeakPolarHBondContact OD1-CG2 3.48Å; D774-T827 PolarHBondContact OD1-OG1 3.1Å; D774-T827 VanDerWaalsContact OD2-CG2 3.23Å; D774-T827 WeakPolarHBondContact OD2-CG2 3.29Å
775	V	40.6	Very low	53.4	Low	123 Å²	123	75.1 Å²	75.1	75%	0.745	40%	0.399	S	S	*	.			trans	-76.3	100.8	172.1	-177.4	0	0	0	0	107.3	A773 T777	A773-V775 PolarHBondContact O-N 3.11Å; A773-V775 VanDerWaalsContact O-N 3.14Å; V775-T777 PolarHBondContact O-N 2.79Å; V775-T777 VanDerWaalsContact O-N 3.16Å
776	L	31.5	Very low	51.1	Low	107 Å²	107	80.5 Å²	80.5	56%	0.56	43%	0.426	S	S	*	.			trans	-59	118	165.9	-77	162.8	0	0	0	108.3	D774 T778 F819	D774-L776 PolarHBondContact O-N 3.4Å; L776-T778 PolarHBondContact O-N 2.75Å; L776-F819 HydrophobicContact CD2-CE1 4.39Å
777	T	28.4	Very low	48.4	Very low	116 Å²	116	86.2 Å²	86.2	71%	0.712	46%	0.457	S	S	*	.			trans	-57.3	104.8	-172.3	50.5	0	0	0	0	112.3	V775	V775-T777 PolarHBondContact O-N 2.79Å; V775-T777 VanDerWaalsContact O-N 3.16Å
778	T	27.1	Very low	45.7	Very low	116 Å²	116	92.4 Å²	92.4	71%	0.712	49%	0.49	S	S	*	.			trans	-97.4	104.6	164.6	47.3	0	0	0	0	109.2	L776 N780	L776-T778 PolarHBondContact O-N 2.75Å; T778-N780 VanDerWaalsContact C-N 3.28Å; T778-N780 PolarHBondContact O-N 3.36Å
779	N	33	Very low	42.9	Very low	131 Å²	131	103.1 Å²	103.1	70%	0.701	53%	0.53	S	S	*	.	S	Bend	trans	40.3	1.9	156.3	-74.2	-16.1	0	0	0	123.7
780	N	32.1	Very low	40.1	Very low	137 Å²	137	108.8 Å²	108.8	73%	0.733	56%	0.56	S	S	*	*	S	Bend	trans	-93.7	-7	-177.1	-78.1	-13	0	0	0	115.7	T778	T778-N780 VanDerWaalsContact C-N 3.28Å; T778-N780 PolarHBondContact O-N 3.36Å
781	D	32.4	Very low	37.1	Very low	86 Å²	86	115.3 Å²	115.3	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-94	-3.2	171.8	-83.4	-21.2	0	0	0	114.3	S783 R784 L785	D781-S783 VanDerWaalsContact C-N 3.34Å; D781-R784 PolarHBondContact O-N 2.78Å; D781-R784 VanDerWaalsContact OD1-CD 3.28Å; D781-R784 WeakPolarHBondContact OD1-CD 3.36Å; D781-R784 IonicContact OD1-CZ 2.7Å; D781-R784 IonicContact OD1-NE 3.23Å; D781-R784 IonicContact OD1-NH1 3.08Å; D781-R784 PolarHBondContact OD1-NH1 3.41Å; D781-L785 WeakPolarHBondContact O-CG 3.19Å; D781-L785 PolarHBondContact O-N 2.72Å
782	F	28.7	Very low	34.8	Very low	142 Å²	142	120.4 Å²	120.4	62%	0.623	63%	0.63	S	S	*	*	H	α-helix	trans	-67.4	-35.2	170.2	-91.8	-80.1	0	0	0	112	R784 L785 L786	F782-R784 VanDerWaalsContact C-N 3.35Å; F782-L785 PolarHBondContact O-N 3.38Å; F782-L786 WeakPolarHBondContact O-CD1 3.36Å; F782-L786 PolarHBondContact O-N 2.81Å
783	S	29.3	Very low	32.7	Very low	80 Å²	80	123.4 Å²	123.4	56%	0.559	65%	0.647	S	S	*	*	H	α-helix	trans	-67	-35.6	172.6	-66.5	0	0	0	0	112	D781 L786 D787	D781-S783 VanDerWaalsContact C-N 3.34Å; S783-L786 PolarHBondContact O-N 2.9Å; S783-D787 PolarHBondContact O-N 2.87Å
784	R	31.5	Very low	31	Very low	141 Å²	141	131.3 Å²	131.3	53%	0.532	67%	0.673	S	S	.	*	H	α-helix	trans	-70.7	-31.1	177.2	-68.1	-161.9	-175.9	134.4	-12	113.6	D781 F782 L786	D781-R784 PolarHBondContact O-N 2.78Å; D781-R784 VanDerWaalsContact OD1-CD 3.28Å; D781-R784 WeakPolarHBondContact OD1-CD 3.36Å; D781-R784 IonicContact OD1-CZ 2.7Å; D781-R784 IonicContact OD1-NE 3.23Å; D781-R784 IonicContact OD1-NH1 3.08Å; D781-R784 PolarHBondContact OD1-NH1 3.41Å; F782-R784 VanDerWaalsContact C-N 3.35Å; R784-L786 VanDerWaalsContact C-N 3.31Å
785	L	28.7	Very low	29.7	Very low	115 Å²	115	136 Å²	136	60%	0.602	70%	0.703	S	S	*	*	H	α-helix	trans	-74.2	-22.3	174.3	-73.9	171.2	0	0	0	113.1	D781 F782	D781-L785 WeakPolarHBondContact O-CG 3.19Å; D781-L785 PolarHBondContact O-N 2.72Å; F782-L785 PolarHBondContact O-N 3.38Å
786	L	28.8	Very low	28.9	Very low	123 Å²	123	134.7 Å²	134.7	64%	0.644	70%	0.699	S	S	*	*	H	α-helix	trans	-79.3	-40	175.8	-84.3	151.2	0	0	0	112	F782 S783 R784 N788 R789	F782-L786 WeakPolarHBondContact O-CD1 3.36Å; F782-L786 PolarHBondContact O-N 2.81Å; S783-L786 PolarHBondContact O-N 2.9Å; R784-L786 VanDerWaalsContact C-N 3.31Å; L786-N788 PolarHBondContact O-N 2.76Å; L786-R789 PolarHBondContact O-N 3.26Å
787	D	29.2	Very low	28.5	Very low	119 Å²	119	137.1 Å²	137.1	64%	0.636	71%	0.708	S	S	*	*	H	α-helix	trans	-70	-31.1	-179.2	-75.2	-24.6	0	0	0	113.2	S783 R789 L790	S783-D787 PolarHBondContact O-N 2.87Å; D787-R789 VanDerWaalsContact C-N 3.25Å; D787-R789 PolarHBondContact O-N 2.86Å; D787-L790 PolarHBondContact O-N 2.79Å
788	N	29.4	Very low	28.4	Very low	137 Å²	137	139.1 Å²	139.1	73%	0.733	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-76.6	-5.9	178.4	-77.3	-20.7	0	0	0	114.4	L786 L790	L786-N788 PolarHBondContact O-N 2.76Å; N788-L790 VanDerWaalsContact C-N 3.35Å
789	R	31.2	Very low	28.1	Very low	226 Å²	226	138 Å²	138	85%	0.853	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-83.7	-6.8	172.7	-71.9	-139.3	-164.3	-168.2	6.8	114.2	L786 D787	L786-R789 PolarHBondContact O-N 3.26Å; D787-R789 VanDerWaalsContact C-N 3.25Å; D787-R789 PolarHBondContact O-N 2.86Å
790	L	29.1	Very low	27.8	Very low	143 Å²	143	141.2 Å²	141.2	75%	0.749	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-102.1	10	-175.6	-77.2	166	0	0	0	115.3	D787 N788	D787-L790 PolarHBondContact O-N 2.79Å; N788-L790 VanDerWaalsContact C-N 3.35Å
791	N	24.5	Very low	27.4	Very low	146 Å²	146	143.2 Å²	143.2	78%	0.781	71%	0.712	S	S	*	*			trans	-129.8	98.2	172	-107.1	-26.9	0	0	0	112.9	K793	N791-K793 PolarHBondContact O-N 2.93Å; N791-K793 VanDerWaalsContact O-N 3.08Å
792	P	33	Very low	26.9	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	73%	0.729	S	S	*	*			trans	-88.3	69.6	-176.6	35.9	-32.8	0	0	0	110.7
793	K	25.4	Very low	26.7	Very low	186 Å²	186	146.3 Å²	146.3	81%	0.809	74%	0.743	S	S	*	*			trans	-152.7	46.8	168.4	-76.8	-160.2	179.7	176.4	0	114.2	N791	N791-K793 PolarHBondContact O-N 2.93Å; N791-K793 VanDerWaalsContact O-N 3.08Å
794	F	27.1	Very low	26.4	Very low	212 Å²	212	150 Å²	150	93%	0.93	76%	0.757	S	S	*	*			trans	-150.3	79.6	157.7	-86.6	-75.6	0	0	0	109.6
795	V	23.1	Very low	26.1	Very low	148 Å²	148	149.7 Å²	149.7	90%	0.897	77%	0.765	S	S	*	*			trans	-125.1	94.2	163.8	177.7	0	0	0	0	106.3
796	S	23.5	Very low	25.8	Very low	95 Å²	95	151.6 Å²	151.6	66%	0.664	78%	0.776	S	S	*	*			trans	-168	131.7	154.2	56.3	0	0	0	0	110.2
797	Q	23.4	Very low	25.7	Very low	157 Å²	157	150.3 Å²	150.3	73%	0.734	78%	0.783	S	S	*	*			trans	79	90.5	161.4	-61.3	167.3	-30.3	0	0	116.3
798	Q	26.4	Very low	25.4	Very low	159 Å²	159	153.6 Å²	153.6	74%	0.743	79%	0.792	S	S	*	*				-150	116.6	120.6	-101.2	177.4	7.6	0	0	108.7	E751	E751-Q798 VanDerWaalsContact CD-NE2 3.31Å; E751-Q798 PolarHBondContact OE1-NE2 2.87Å; E751-Q798 WeakPolarHBondContact OE2-CG 3.12Å; E751-Q798 PolarHBondContact OE2-NE2 2.76Å
799	S	20.9	Very low	25.1	Very low	92 Å²	92	152 Å²	152	64%	0.643	79%	0.792	S	S	*	*			trans	-101	122.7	-179.6	52	0	0	0	0	109.6
800	Y	26	Very low	24.8	Very low	198 Å²	198	147.8 Å²	147.8	78%	0.776	79%	0.791	S	S	*	*			trans	-155.7	121.5	142.7	-88.1	-64.5	0	0	0	112.9
801	K	24.1	Very low	24.6	Very low	179 Å²	179	149.3 Å²	149.3	78%	0.778	80%	0.798	S	S	*	*			trans	65.5	108.1	142.6	-78.1	171.8	178.1	174.5	0	120.4	L803	K801-L803 PolarHBondContact O-N 3.12Å
802	S	21.2	Very low	24.5	Very low	119 Å²	119	151 Å²	151	83%	0.832	80%	0.802	S	S	*	*			trans	-37.5	118.7	152.5	51.8	0	0	0	0	114.1
803	L	24.6	Very low	24	Very low	174 Å²	174	149.1 Å²	149.1	91%	0.911	79%	0.791	S	S	*	*			trans	-119.5	137.1	157.6	-97.1	150.8	0	0	0	108.8	K801	K801-L803 PolarHBondContact O-N 3.12Å
804	N	23.4	Very low	23.8	Very low	158 Å²	158	144.6 Å²	144.6	85%	0.845	78%	0.783	S	S	*	*			trans	-74.8	127.6	-152.4	-152.2	-9.7	0	0	0	112.7	N806	N804-N806 PolarHBondContact O-N 3.41Å
805	L	25	Very low	23.7	Very low	134 Å²	134	140.1 Å²	140.1	70%	0.702	78%	0.778	S	S	*	*			trans	-72.1	104.1	166.3	-78	141.9	0	0	0	108.1
806	N	21.9	Very low	23.6	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	77%	0.768	S	S	*	*			trans	166.8	73.1	150	-81.3	-18.6	0	0	0	111.2	N804	N804-N806 PolarHBondContact O-N 3.41Å
807	A	26.6	Very low	23.8	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	77%	0.769	S	S	*	*			trans	-151.5	50.5	157.2	0	0	0	0	0	108.9
808	F	24.2	Very low	23.9	Very low	187 Å²	187	138.4 Å²	138.4	82%	0.82	77%	0.774	S	S	*	*			trans	-101.4	79.3	174.1	-80	-81.9	0	0	0	109.1
809	S	23.7	Very low	23.7	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	77%	0.769	S	S	*	*	S	Bend	trans	-158	61.9	166.3	64.7	0	0	0	0	111.3
810	T	23.2	Very low	23.8	Very low	137 Å²	137	137.9 Å²	137.9	84%	0.84	77%	0.766	S	S	*	*	S	Bend	trans	161.8	91.5	149.3	29.4	0	0	0	0	107.5
811	I	24.8	Very low	23.9	Very low	175 Å²	175	131.5 Å²	131.5	90%	0.897	75%	0.748	S	S	*	*			trans	176	103.3	146.4	-84.9	148.7	0	0	0	103.7
812	Q	22.7	Very low	24	Very low	181 Å²	181	127.9 Å²	127.9	85%	0.846	74%	0.737	S	S	*	*			trans	-73.9	136.4	171.2	-73.4	176.3	-31.9	0	0	108.8
813	S	22.4	Very low	24.4	Very low	84 Å²	84	127.7 Å²	127.7	59%	0.587	73%	0.733	S	S	*	*			trans	34.3	135	148.7	57.3	0	0	0	0	121.5
814	S	21.9	Very low	25	Very low	90 Å²	90	122.7 Å²	122.7	63%	0.629	71%	0.71	S	S	*	*			trans	98.1	87.8	149	73.1	0	0	0	0	118.5	S816	S814-S816 PolarHBondContact O-N 3.32Å
815	S	24.5	Very low	25.7	Very low	118 Å²	118	121.6 Å²	121.6	83%	0.825	70%	0.699	S	S	*	*				28.4	92.3	119	61.4	0	0	0	0	117.6
816	S	22.4	Very low	27	Very low	97 Å²	97	116.7 Å²	116.7	68%	0.678	68%	0.676	S	S	*	*				-159	127.2	130	37.4	0	0	0	0	108	S814 L818	S814-S816 PolarHBondContact O-N 3.32Å; S816-L818 PolarHBondContact O-N 2.82Å
817	P	27.7	Very low	29.1	Very low	106 Å²	106	110.7 Å²	110.7	69%	0.688	65%	0.645	S	S	*	*			trans	-62.9	127.6	173.7	-12.8	26.7	0	0	0	108.5	F819	P817-F819 HydrophobicContact CB-CE2 4.4Å; P817-F819 WeakPolarHBondContact O-CD2 3.01Å; P817-F819 PolarHBondContact O-N 3.44Å
818	L	23.7	Very low	31.3	Very low	161 Å²	161	110.1 Å²	110.1	84%	0.843	63%	0.633	S	S	*	*			trans	-54.2	105.7	168.9	-94	73.4	0	0	0	108.9	S816	S816-L818 PolarHBondContact O-N 2.82Å
819	F	24	Very low	33.7	Very low	144 Å²	144	102.6 Å²	102.6	63%	0.632	60%	0.602	S	S	*	*			trans	-93.7	90.3	163	-82	-83.5	0	0	0	108.2	L776 P817	L776-F819 HydrophobicContact CD2-CE1 4.39Å; P817-F819 HydrophobicContact CB-CE2 4.4Å; P817-F819 WeakPolarHBondContact O-CD2 3.01Å; P817-F819 PolarHBondContact O-N 3.44Å
820	T	22.3	Very low	36.1	Very low	96 Å²	96	105 Å²	105	59%	0.589	61%	0.606	S	S	*	*			trans	-83	112	157.4	54.5	0	0	0	0	106.5	D822	T820-D822 PolarHBondContact O-N 2.86Å; T820-D822 VanDerWaalsContact O-N 3.13Å; T820-D822 PolarHBondContact OG1-OD2 2.88Å
821	T	27.3	Very low	38.8	Very low	65 Å²	65	101 Å²	101	40%	0.399	58%	0.583	S	S	.	*			trans	-84.7	82.1	166.2	71	0	0	0	0	107.1	K432	K432-T821 WeakPolarHBondContact CD-OG1 3.17Å; K432-T821 WeakPolarHBondContact CE-OG1 3.31Å; K432-T821 PolarHBondContact NZ-OG1 2.92Å
822	D	26.6	Very low	41.4	Very low	102 Å²	102	94.7 Å²	94.7	55%	0.545	55%	0.552	S	S	.	*			trans	-71.7	157.3	157.5	-74.8	-48.5	0	0	0	108.8	T820 V824	T820-D822 PolarHBondContact O-N 2.86Å; T820-D822 VanDerWaalsContact O-N 3.13Å; T820-D822 PolarHBondContact OG1-OD2 2.88Å; D822-V824 PolarHBondContact O-N 2.85Å
823	P	29.9	Very low	44.2	Very low	116 Å²	116	91.4 Å²	91.4	75%	0.753	53%	0.532	S	S	*	.	S	Bend	trans	-60.1	130.2	-173	25.5	-33.2	0	0	0	109.2	E825	P823-E825 VanDerWaalsContact C-N 3.26Å; P823-E825 VanDerWaalsContact O-CA 3.28Å; P823-E825 WeakPolarHBondContact O-CA 3.46Å; P823-E825 PolarHBondContact O-N 3.44Å
824	V	37	Very low	46.9	Very low	69 Å²	69	87.5 Å²	87.5	42%	0.418	51%	0.505	S	S	.	.			trans	-15.4	91.1	-178.3	179.5	0	0	0	0	108.3	A773 D822 S826	A773-V824 HydrophobicContact CB-CG1 4.2Å; D822-V824 PolarHBondContact O-N 2.85Å; V824-S826 PolarHBondContact O-N 3.49Å
825	E	38.1	Very low	49.6	Very low	134 Å²	134	84.5 Å²	84.5	63%	0.626	48%	0.483	S	S	*	.			trans	-63.5	103.3	-172.6	-143.7	176.6	170.8	0	0	102.5	D774 P823 T827	D774-E825 WeakPolarHBondContact CB-O 3.34Å; D774-E825 PolarHBondContact N-O 2.88Å; D774-E825 WeakPolarHBondContact OD2-CB 3.35Å; D774-E825 VanDerWaalsContact OD2-O 3.05Å; P823-E825 VanDerWaalsContact C-N 3.26Å; P823-E825 VanDerWaalsContact O-CA 3.28Å; P823-E825 WeakPolarHBondContact O-CA 3.46Å; P823-E825 PolarHBondContact O-N 3.44Å; E825-T827 PolarHBondContact O-N 3.28Å
826	S	53.1	Low	51.9	Low	32 Å²	32	78.9 Å²	78.9	22%	0.224	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	98.2	179.1	61.8	0	0	0	0	102.4	Y771 R772 V824 P828	Y771-S826 WeakPolarHBondContact CD1-O 3.43Å; Y771-S826 WeakPolarHBondContact CD1-OG 3.29Å; R772-S826 CarbonylContact O-C 3.52Å; R772-S826 WeakPolarHBondContact O-CA 3.33Å; V824-S826 PolarHBondContact O-N 3.49Å; S826-P828 WeakPolarHBondContact O-CD 3.43Å
827	T	64.7	Low	54	Low	29 Å²	29	74.5 Å²	74.5	18%	0.178	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.6	-177.1	35.7	0	0	0	0	108	R772 D774 E825 L829	R772-T827 WeakPolarHBondContact CD-OG1 3.14Å; R772-T827 WeakPolarHBondContact CG-OG1 3.49Å; R772-T827 PolarHBondContact N-O 3.08Å; R772-T827 PolarHBondContact NE-OG1 2.69Å; R772-T827 PolarHBondContact O-N 3.22Å; D774-T827 WeakPolarHBondContact OD1-CB 3.28Å; D774-T827 WeakPolarHBondContact OD1-CG2 3.48Å; D774-T827 PolarHBondContact OD1-OG1 3.1Å; D774-T827 VanDerWaalsContact OD2-CG2 3.23Å; D774-T827 WeakPolarHBondContact OD2-CG2 3.29Å; E825-T827 PolarHBondContact O-N 3.28Å; T827-L829 PolarHBondContact O-N 3.01Å
828	P	73.3	Confident	55.9	Low	84 Å²	84	73.5 Å²	73.5	55%	0.545	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.4	170.9	27.5	-32.1	0	0	0	107.5	I769 Y771 S826	I769-P828 HydrophobicContact CG2-CB 3.72Å; Y771-P828 HydrophobicContact CD1-CB 4.41Å; Y771-P828 HydrophobicContact CE1-CB 3.9Å; S826-P828 WeakPolarHBondContact O-CD 3.43Å
829	L	75.5	Confident	57.9	Low	30 Å²	30	69.5 Å²	69.5	16%	0.157	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-78.7	167.3	173.2	-68.4	167.7	0	0	0	110.3	N770 R772 T827 I949	N770-L829 HydrophobicContact CB-CD1 4.17Å; N770-L829 PolarHBondContact O-N 2.81Å; R772-L829 HydrophobicContact CB-CD1 4.27Å; R772-L829 HydrophobicContact CB-CD2 4.26Å; R772-L829 HydrophobicContact CB-CG 4.33Å; R772-L829 HydrophobicContact CG-CD2 3.96Å; R772-L829 HydrophobicContact CG-CG 4.3Å; T827-L829 PolarHBondContact O-N 3.01Å; L829-I949 HydrophobicContact CD1-CD1 2.93Å; L829-I949 HydrophobicContact CD1-CG1 4.43Å; L829-I949 HydrophobicContact CG-CD1 4.43Å
830	D	73.8	Confident	60.1	Low	156 Å²	156	62.7 Å²	62.7	83%	0.834	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-54.6	126	175.3	-79.5	-20.6	0	0	0	110.1
831	P	78.2	Confident	62.3	Low	53 Å²	53	61.6 Å²	61.6	34%	0.344	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.8	136.8	-175.4	23.1	-30.9	0	0	0	111.5	E767 L768 I769 R833	E767-P831 HydrophobicContact CB-CB 3.87Å; E767-P831 HydrophobicContact CG-CB 4.08Å; L768-P831 WeakPolarHBondContact O-CA 3.44Å; I769-P831 HydrophobicContact CG1-CB 3.94Å; P831-R833 PolarHBondContact O-N 2.96Å
832	V	81.2	Confident	64.4	Low	42 Å²	42	66.7 Å²	66.7	26%	0.255	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	112.7	165.5	179.6	0	0	0	0	108.2	E767 L768 A845 F849	E767-V832 WeakPolarHBondContact CA-O 3.22Å; L768-V832 HydrophobicContact CB-CB 4.3Å; L768-V832 PolarHBondContact N-O 2.77Å; L768-V832 PolarHBondContact O-N 3.29Å; V832-A845 HydrophobicContact CG1-CB 3.81Å; V832-F849 HydrophobicContact CB-CE2 4.33Å; V832-F849 HydrophobicContact CG2-CE2 3.71Å; V832-F849 HydrophobicContact CG2-CZ 4.11Å
833	R	79.9	Confident	66.7	Low	112 Å²	112	63.2 Å²	63.2	42%	0.423	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.5	-179	-172.9	178	-74.2	164	-0.2	111.4	A765 L766 E767 P831	A765-R833 HydrophobicContact CB-CG 4.1Å; L766-R833 CarbonylContact O-C 3.52Å; L766-R833 WeakPolarHBondContact O-CA 3.33Å; E767-R833 HydrophobicContact CG-CB 4.36Å; E767-R833 HydrophobicContact CG-CG 4.3Å; E767-R833 IonicContact OE1-CZ 3.36Å; E767-R833 IonicContact OE1-NE 3.1Å; E767-R833 PolarHBondContact OE1-NE 3.32Å; E767-R833 VanDerWaalsContact OE1-NE 3.1Å; E767-R833 IonicContact OE1-NH2 3.88Å; E767-R833 PolarHBondContact OE1-NH2 2.81Å; P831-R833 PolarHBondContact O-N 2.96Å
834	L	80.6	Confident	68.9	Low	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.8	174.5	-60.2	174	0	0	0	109.7	F690 A765 L766 L768 M840 S843 A845	F690-L834 HydrophobicContact CD2-CD1 4.11Å; F690-L834 HydrophobicContact CE1-CD1 4.32Å; F690-L834 HydrophobicContact CE2-CD1 3.33Å; F690-L834 HydrophobicContact CZ-CD1 3.46Å; F690-L834 VanDerWaalsContact CZ-CD1 3.46Å; A765-L834 CarbonylContact C-O 3.56Å; A765-L834 VanDerWaalsContact CA-O 3.22Å; A765-L834 WeakPolarHBondContact CA-O 3.47Å; L766-L834 HydrophobicContact CB-CB 4.38Å; L766-L834 PolarHBondContact N-O 2.86Å; L766-L834 PolarHBondContact O-N 2.89Å; L768-L834 HydrophobicContact CD1-CD1 4.01Å; L834-M840 HydrophobicContact CB-CE 4.1Å; L834-M840 HydrophobicContact CB-SD 3.54Å; L834-M840 VanDerWaalsContact CB-SD 3.54Å; L834-M840 HydrophobicContact CD1-CE 3.84Å; L834-M840 HydrophobicContact CD1-SD 4.4Å; L834-S843 WeakPolarHBondContact CD2-OG 3.39Å; L834-A845 HydrophobicContact CD2-CB 4.26Å
835	C	77.9	Confident	71.1	Confident	26 Å²	26	57 Å²	57	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.5	177.1	-53.1	0	0	0	0	110.2	C760 F839 M840	C760-C835 WeakPolarHBondContact CA-SG 3.4Å; C760-C835 HydrophobicContact CB-CB 3.73Å; C760-C835 WeakPolarHBondContact CB-SG 3.45Å; C760-C835 WeakPolarHBondContact SG-CA 3.44Å; C760-C835 WeakPolarHBondContact SG-CB 3.48Å; C760-C835 CovalentContact SG-SG 2.04Å; C760-C835 PolarHBondContact SG-SG 3.22Å; C835-F839 HydrophobicContact CB-CB 3.94Å; C835-F839 CarbonylContact O-C 3.58Å; C835-M840 VanDerWaalsContact O-CG 3.26Å; C835-M840 WeakPolarHBondContact O-CG 3.33Å; C835-M840 PolarHBondContact O-N 2.88Å; C835-M840 VanDerWaalsContact O-N 3.12Å
836	A	72.5	Confident	73.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-60.6	164	-177.2	0	0	0	0	0	113.7	T762 M764 L898	T762-A836 VanDerWaalsContact CG2-O 3.28Å; T762-A836 WeakPolarHBondContact CG2-O 3.33Å; T762-A836 PolarHBondContact OG1-N 3.08Å; M764-A836 HydrophobicContact CB-CB 3.8Å; M764-A836 VanDerWaalsContact O-CB 3.31Å; M764-A836 WeakPolarHBondContact O-CB 3.44Å; M764-A836 PolarHBondContact O-N 3.27Å; M764-A836 VanDerWaalsContact O-N 3.09Å; A836-L898 HydrophobicContact CB-CD1 3.99Å; A836-L898 HydrophobicContact CB-CG 4.45Å
837	G	67.8	Low	74.5	Confident	6 Å²	6	56.3 Å²	56.3	6%	0.062	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	78.1	-152	-179	0	0	0	0	0	112.9	F839 M840	G837-F839 PolarHBondContact O-N 2.84Å; G837-F839 VanDerWaalsContact O-N 3.13Å; G837-M840 WeakPolarHBondContact O-CB 3.23Å; G837-M840 WeakPolarHBondContact O-CG 3.21Å; G837-M840 PolarHBondContact O-N 3.32Å; G837-M840 VanDerWaalsContact O-N 3.12Å
838	D	66.4	Low	75.6	Confident	85 Å²	85	55 Å²	55	46%	0.455	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.3	-176.3	-58.9	-46.3	0	0	0	112.8	M840 T841	D838-M840 PolarHBondContact O-N 2.8Å; D838-T841 PolarHBondContact O-N 3.25Å; D838-T841 PolarHBondContact O-OG1 2.93Å
839	F	66.5	Low	76.4	Confident	77 Å²	77	51.3 Å²	51.3	34%	0.338	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63	-21.6	176.8	-61.2	-84.4	0	0	0	113.7	P761 T762 C835 G837 T841 Y842	P761-F839 HydrophobicContact CB-CZ 4.43Å; P761-F839 HydrophobicContact CG-CD1 4.08Å; P761-F839 HydrophobicContact CG-CD2 4.11Å; P761-F839 HydrophobicContact CG-CE1 3.83Å; P761-F839 HydrophobicContact CG-CE2 3.84Å; P761-F839 HydrophobicContact CG-CG 4.24Å; P761-F839 HydrophobicContact CG-CZ 3.71Å; T762-F839 HydrophobicContact CG2-CD2 4.1Å; T762-F839 HydrophobicContact CG2-CE2 4.35Å; C835-F839 HydrophobicContact CB-CB 3.94Å; C835-F839 CarbonylContact O-C 3.58Å; G837-F839 PolarHBondContact O-N 2.84Å; G837-F839 VanDerWaalsContact O-N 3.13Å; F839-T841 PolarHBondContact O-N 3.13Å; F839-Y842 HydrophobicContact CB-CD2 4.16Å; F839-Y842 HydrophobicContact CB-CE2 4.42Å; F839-Y842 AromaticContact CD1-CD2 3.73Å; F839-Y842 HydrophobicContact CD1-CD2 3.73Å; F839-Y842 AromaticContact CD1-CE2 3.44Å; F839-Y842 HydrophobicContact CD1-CE2 3.44Å; F839-Y842 VanDerWaalsContact CD1-CE2 3.44Å; F839-Y842 AromaticContact CE1-CE2 3.96Å; F839-Y842 HydrophobicContact CE1-CE2 3.96Å; F839-Y842 HydrophobicContact CG-CD2 4.34Å; F839-Y842 HydrophobicContact CG-CE2 4.18Å; F839-Y842 PolarHBondContact O-N 2.88Å
840	M	69.6	Low	77.2	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-54.2	-41.1	174.4	-72.7	-71.5	-67.7	0	0	110.7	F690 L766 L834 C835 G837 D838 Y842 S843 S846 L898 Y900	F690-M840 HydrophobicContact CB-CE 4.34Å; F690-M840 HydrophobicContact CD1-CE 3.24Å; F690-M840 HydrophobicContact CD2-CE 4.19Å; F690-M840 HydrophobicContact CE1-CE 3.42Å; F690-M840 VanDerWaalsContact CE1-CE 3.42Å; F690-M840 HydrophobicContact CE2-CE 4.31Å; F690-M840 HydrophobicContact CG-CE 3.64Å; F690-M840 HydrophobicContact CZ-CE 3.95Å; L766-M840 HydrophobicContact CD1-CE 4.16Å; L834-M840 HydrophobicContact CB-CE 4.1Å; L834-M840 HydrophobicContact CB-SD 3.54Å; L834-M840 VanDerWaalsContact CB-SD 3.54Å; L834-M840 HydrophobicContact CD1-CE 3.84Å; L834-M840 HydrophobicContact CD1-SD 4.4Å; C835-M840 VanDerWaalsContact O-CG 3.26Å; C835-M840 WeakPolarHBondContact O-CG 3.33Å; C835-M840 PolarHBondContact O-N 2.88Å; C835-M840 VanDerWaalsContact O-N 3.12Å; G837-M840 WeakPolarHBondContact O-CB 3.23Å; G837-M840 WeakPolarHBondContact O-CG 3.21Å; G837-M840 PolarHBondContact O-N 3.32Å; G837-M840 VanDerWaalsContact O-N 3.12Å; D838-M840 PolarHBondContact O-N 2.8Å; M840-Y842 PolarHBondContact O-N 2.88Å; M840-S843 PolarHBondContact O-N 3.33Å; M840-S846 WeakPolarHBondContact O-CB 3.32Å; M840-S846 PolarHBondContact O-OG 2.89Å; M840-L898 HydrophobicContact CE-CD2 4.29Å; M840-Y900 HydrophobicContact CB-CD2 4.11Å; M840-Y900 HydrophobicContact CB-CE2 3.84Å; M840-Y900 HydrophobicContact CG-CD2 3.9Å; M840-Y900 HydrophobicContact CG-CE2 4.02Å
841	T	67.8	Low	78.1	Confident	73 Å²	73	42.5 Å²	42.5	45%	0.448	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.1	-14.1	-175.2	64.5	0	0	0	0	114.6	D838 F839 S843 Y900	D838-T841 PolarHBondContact O-N 3.25Å; D838-T841 PolarHBondContact O-OG1 2.93Å; F839-T841 PolarHBondContact O-N 3.13Å; T841-S843 VanDerWaalsContact C-N 3.32Å; T841-Y900 WeakPolarHBondContact CG2-OH 3.32Å
842	Y	71.4	Confident	78.5	Confident	172 Å²	172	40 Å²	40	68%	0.675	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-75.6	-21.8	179.3	-62.7	-32.7	0	0	0	113.2	F839 M840	F839-Y842 HydrophobicContact CB-CD2 4.16Å; F839-Y842 HydrophobicContact CB-CE2 4.42Å; F839-Y842 AromaticContact CD1-CD2 3.73Å; F839-Y842 HydrophobicContact CD1-CD2 3.73Å; F839-Y842 AromaticContact CD1-CE2 3.44Å; F839-Y842 HydrophobicContact CD1-CE2 3.44Å; F839-Y842 VanDerWaalsContact CD1-CE2 3.44Å; F839-Y842 AromaticContact CE1-CE2 3.96Å; F839-Y842 HydrophobicContact CE1-CE2 3.96Å; F839-Y842 HydrophobicContact CG-CD2 4.34Å; F839-Y842 HydrophobicContact CG-CE2 4.18Å; F839-Y842 PolarHBondContact O-N 2.88Å; M840-Y842 PolarHBondContact O-N 2.88Å
843	S	75.2	Confident	78.5	Confident	29 Å²	29	40.5 Å²	40.5	20%	0.203	20%	0.199	C	C	.	.	S	Bend	trans	-92.5	128.5	176.4	-178.9	0	0	0	0	110.5	L834 M840 T841 A845 S846	L834-S843 WeakPolarHBondContact CD2-OG 3.39Å; M840-S843 PolarHBondContact O-N 3.33Å; T841-S843 VanDerWaalsContact C-N 3.32Å; S843-A845 PolarHBondContact O-N 3.32Å; S843-A845 VanDerWaalsContact O-N 3.1Å; S843-A845 WeakPolarHBondContact OG-CB 3.26Å; S843-A845 PolarHBondContact OG-N 3.47Å; S843-S846 WeakPolarHBondContact O-CB 3.35Å; S843-S846 PolarHBondContact O-N 2.99Å; S843-S846 PolarHBondContact O-OG 2.84Å
844	P	75.6	Confident	78.6	Confident	54 Å²	54	37 Å²	37	35%	0.351	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58	-23.4	171.7	23.1	-32.7	0	0	0	113	S846 K847 L946 T1040	P844-S846 PolarHBondContact O-N 2.83Å; P844-K847 WeakPolarHBondContact O-CB 3.38Å; P844-K847 PolarHBondContact O-N 2.8Å; P844-K847 VanDerWaalsContact O-N 3.08Å; P844-L946 HydrophobicContact CB-CD2 3.99Å; P844-L946 HydrophobicContact CB-CG 4.41Å; P844-L946 HydrophobicContact CG-CD2 3.83Å; P844-L946 HydrophobicContact CG-CG 4.44Å; P844-T1040 HydrophobicContact CB-CG2 3.77Å
845	A	83.6	Confident	78.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.4	173.9	0	0	0	0	0	113.1	V832 L834 S843 K847 G848 F849 L946	V832-A845 HydrophobicContact CG1-CB 3.81Å; L834-A845 HydrophobicContact CD2-CB 4.26Å; S843-A845 PolarHBondContact O-N 3.32Å; S843-A845 VanDerWaalsContact O-N 3.1Å; S843-A845 WeakPolarHBondContact OG-CB 3.26Å; S843-A845 PolarHBondContact OG-N 3.47Å; A845-K847 VanDerWaalsContact C-N 3.33Å; A845-G848 CarbonylContact O-C 3.55Å; A845-G848 PolarHBondContact O-N 3.27Å; A845-F849 HydrophobicContact CB-CD2 4.2Å; A845-L946 HydrophobicContact CB-CD1 3.62Å; A845-L946 HydrophobicContact CB-CG 4.39Å
846	S	80.2	Confident	79.3	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.8	-30.8	176	81	0	0	0	0	112.5	F690 M840 S843 P844	F690-S846 PolarHBondContact N-O 3.06Å; F690-S846 VanDerWaalsContact N-O 3.1Å; M840-S846 WeakPolarHBondContact O-CB 3.32Å; M840-S846 PolarHBondContact O-OG 2.89Å; S843-S846 WeakPolarHBondContact O-CB 3.35Å; S843-S846 PolarHBondContact O-N 2.99Å; S843-S846 PolarHBondContact O-OG 2.84Å; P844-S846 PolarHBondContact O-N 2.83Å
847	K	82	Confident	80.3	Confident	138 Å²	138	39.7 Å²	39.7	60%	0.6	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.1	176.3	-65.1	-176.6	178.4	-179.5	0	111.5	R689 P844 A845	R689-K847 WeakPolarHBondContact CB-O 3.29Å; P844-K847 WeakPolarHBondContact O-CB 3.38Å; P844-K847 PolarHBondContact O-N 2.8Å; P844-K847 VanDerWaalsContact O-N 3.08Å; A845-K847 VanDerWaalsContact C-N 3.33Å
848	G	87.8	Confident	81.3	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	20%	0.196	C	C	.	.			trans	-177.9	143	173.3	0	0	0	0	0	111.7	I688 A845 N942 G945 L946	I688-G848 CarbonylContact O-C 3.55Å; I688-G848 VanDerWaalsContact O-CA 3.27Å; I688-G848 WeakPolarHBondContact O-CA 3.39Å; A845-G848 CarbonylContact O-C 3.55Å; A845-G848 PolarHBondContact O-N 3.27Å; G848-N942 VanDerWaalsContact C-ND2 3.27Å; G848-N942 PolarHBondContact O-ND2 3.22Å; G848-G945 WeakPolarHBondContact O-CA 3.32Å; G848-L946 PolarHBondContact O-N 2.95Å
849	F	91.6	Very high	82.4	Confident	7 Å²	7	35.4 Å²	35.4	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.7	172.4	-169.9	-100	0	0	0	109	I688 L768 N770 V832 A845 L857 N942 L946	I688-F849 HydrophobicContact CD1-CB 4.13Å; I688-F849 HydrophobicContact CD1-CD1 4.42Å; I688-F849 HydrophobicContact CG1-CB 3.72Å; I688-F849 HydrophobicContact CG1-CD1 4.47Å; I688-F849 WeakPolarHBondContact CG1-O 3.45Å; I688-F849 PolarHBondContact N-O 3.47Å; I688-F849 PolarHBondContact O-N 3.48Å; L768-F849 HydrophobicContact CB-CD1 4.13Å; L768-F849 HydrophobicContact CB-CE1 3.95Å; L768-F849 HydrophobicContact CB-CZ 4.32Å; L768-F849 HydrophobicContact CD1-CB 3.93Å; L768-F849 HydrophobicContact CD1-CD1 3.95Å; L768-F849 HydrophobicContact CD1-CD2 4.2Å; L768-F849 HydrophobicContact CD1-CG 3.76Å; N770-F849 WeakPolarHBondContact ND2-CE1 3.42Å; N770-F849 VanDerWaalsContact ND2-CZ 3.26Å; N770-F849 WeakPolarHBondContact ND2-CZ 3.1Å; V832-F849 HydrophobicContact CB-CE2 4.33Å; V832-F849 HydrophobicContact CG2-CE2 3.71Å; V832-F849 HydrophobicContact CG2-CZ 4.11Å; A845-F849 HydrophobicContact CB-CD2 4.2Å; F849-L857 HydrophobicContact CD1-CD1 3.75Å; F849-L857 HydrophobicContact CD1-CD2 4.29Å; F849-L857 HydrophobicContact CE1-CD1 3.46Å; F849-L857 VanDerWaalsContact CE1-CD1 3.46Å; F849-N942 WeakPolarHBondContact CA-ND2 3.26Å; F849-N942 PolarHBondContact N-ND2 3.35Å; F849-L946 HydrophobicContact CD2-CD1 4.17Å; F849-L946 HydrophobicContact CE2-CD1 4.45Å
850	M	92.8	Very high	83.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.1	-176.9	-170.1	159.3	71.4	0	0	111.8	R685 I686 Q687 N770 V907 Y910 P941 N942 P948	R685-M850 HydrophobicContact CB-CG 3.8Å; R685-M850 HydrophobicContact CB-SD 3.72Å; R685-M850 HydrophobicContact CG-SD 4.38Å; I686-M850 CarbonylContact O-C 3.56Å; I686-M850 VanDerWaalsContact O-CA 3.24Å; I686-M850 WeakPolarHBondContact O-CA 3.34Å; Q687-M850 HydrophobicContact CB-SD 4.4Å; N770-M850 PolarHBondContact ND2-O 2.8Å; M850-V907 HydrophobicContact SD-CG2 4.29Å; M850-Y910 VanDerWaalsContact CE-O 3.23Å; M850-Y910 WeakPolarHBondContact CE-O 3.38Å; M850-P941 HydrophobicContact CE-CB 3.62Å; M850-N942 HydrophobicContact CB-CB 3.91Å; M850-N942 HydrophobicContact CE-CB 3.81Å; M850-N942 HydrophobicContact SD-CB 4.09Å; M850-P948 HydrophobicContact CB-CB 4.28Å; M850-P948 HydrophobicContact CE-CB 4.04Å; M850-P948 HydrophobicContact CE-CG 3.44Å; M850-P948 VanDerWaalsContact CE-CG 3.44Å; M850-P948 HydrophobicContact CG-CB 4.45Å
851	S	92.4	Very high	83.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.			trans	-60.6	146.6	173.2	70.8	0	0	0	0	111	R685 I686 N770 P948	R685-S851 WeakPolarHBondContact CA-OG 3.22Å; R685-S851 WeakPolarHBondContact CD-O 3.43Å; I686-S851 PolarHBondContact N-OG 3.44Å; I686-S851 PolarHBondContact O-N 2.82Å; N770-S851 WeakPolarHBondContact OD1-CA 3.27Å; S851-P948 VanDerWaalsContact O-CB 3.32Å; S851-P948 WeakPolarHBondContact O-CB 3.45Å
852	G	86.4	Confident	84.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.			trans	-72.4	-150.4	172.8	0	0	0	0	0	113.3	R685 I854 I949	R685-G852 WeakPolarHBondContact CD-O 3.02Å; R685-G852 PolarHBondContact NE-O 3.12Å; G852-I854 PolarHBondContact O-N 2.91Å; G852-I949 WeakPolarHBondContact CA-O 3.48Å
853	N	81.2	Confident	84.1	Confident	52 Å²	52	26.3 Å²	26.3	28%	0.278	14%	0.135	S	C	.	.	S	Bend	trans	-58.2	-34.8	177.3	-163	12.5	0	0	0	113.7	R685 D950	R685-N853 PolarHBondContact NH1-O 2.82Å; R685-N853 PolarHBondContact NH2-OD1 2.77Å; N853-D950 HydrophobicContact CB-CB 4.44Å; N853-D950 VanDerWaalsContact CB-OD2 3.31Å; N853-D950 WeakPolarHBondContact CB-OD2 3.36Å; N853-D950 PolarHBondContact ND2-OD2 3.26Å
854	I	82.2	Confident	83.4	Confident	38 Å²	38	28.3 Å²	28.3	20%	0.195	15%	0.149	C	C	.	.	S	Bend	trans	-78.1	122.9	171.5	-59.6	-173	0	0	0	108.6	R772 A773 G852 R856	R772-I854 VanDerWaalsContact O-CD1 3.31Å; R772-I854 WeakPolarHBondContact O-CD1 3.44Å; A773-I854 HydrophobicContact CB-CD1 4.28Å; G852-I854 PolarHBondContact O-N 2.91Å; I854-R856 HydrophobicContact CG2-CB 3.79Å; I854-R856 PolarHBondContact O-N 3.02Å
855	P	83.8	Confident	82.2	Confident	34 Å²	34	31.2 Å²	31.2	22%	0.221	16%	0.158	C	C	.	.	S	Bend	trans	-77.6	54	178.1	35.5	-37.4	0	0	0	110.9	G680 Q684 I686	G680-P855 PolarHBondContact N-O 2.99Å; Q684-P855 WeakPolarHBondContact O-CB 3.43Å; I686-P855 WeakPolarHBondContact CD1-O 3.24Å
856	R	89.4	Confident	80.3	Confident	52 Å²	52	35.5 Å²	35.5	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.4	178	-178.4	179.4	169.9	-177.6	-6.5	109.9	K677 L678 Y771 I854 D858	K677-R856 VanDerWaalsContact CE-CZ 3.49Å; L678-R856 WeakPolarHBondContact O-CA 3.4Å; Y771-R856 HydrophobicContact CD2-CB 4.14Å; Y771-R856 HydrophobicContact CD2-CG 3.78Å; Y771-R856 HydrophobicContact CE2-CG 3.92Å; Y771-R856 PolarHBondContact OH-NH2 3.45Å; Y771-R856 VanDerWaalsContact OH-NH2 3.14Å; I854-R856 HydrophobicContact CG2-CB 3.79Å; I854-R856 PolarHBondContact O-N 3.02Å; R856-D858 IonicContact CZ-OD1 3.75Å; R856-D858 IonicContact CZ-OD2 3.21Å; R856-D858 IonicContact NE-OD1 3.04Å; R856-D858 PolarHBondContact NE-OD1 2.99Å; R856-D858 IonicContact NE-OD2 3.08Å; R856-D858 IonicContact NH2-OD1 2.71Å; R856-D858 IonicContact NH2-OD2 3.76Å; R856-D858 PolarHBondContact NH2-OD2 3.25Å
857	L	91.8	Very high	78.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.6	176.2	-179.4	67.9	0	0	0	108.8	L678 I686 I688 N770 F849	L678-L857 WeakPolarHBondContact CD1-O 3.41Å; L678-L857 PolarHBondContact N-O 3.42Å; L678-L857 PolarHBondContact O-N 3.11Å; I686-L857 HydrophobicContact CB-CB 4.26Å; I686-L857 HydrophobicContact CD1-CB 4.07Å; I686-L857 HydrophobicContact CG2-CB 4.25Å; I686-L857 HydrophobicContact CG2-CD2 4.09Å; I688-L857 HydrophobicContact CB-CD2 4.43Å; I688-L857 HydrophobicContact CD1-CD2 3.83Å; I688-L857 HydrophobicContact CG1-CD2 3.93Å; I688-L857 HydrophobicContact CG2-CD2 3.63Å; N770-L857 WeakPolarHBondContact OD1-CD1 3.35Å; F849-L857 HydrophobicContact CD1-CD1 3.75Å; F849-L857 HydrophobicContact CD1-CD2 4.29Å; F849-L857 HydrophobicContact CE1-CD1 3.46Å; F849-L857 VanDerWaalsContact CE1-CD1 3.46Å
858	D	90.2	Very high	75.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	175.8	-67.4	11	0	0	0	109.1	K675 W676 K677 I769 Y771 R856	K675-D858 VanDerWaalsContact CE-CG 3.46Å; K675-D858 WeakPolarHBondContact CE-OD2 3.45Å; K675-D858 IonicContact NZ-OD2 2.76Å; K675-D858 PolarHBondContact NZ-OD2 3.41Å; W676-D858 CarbonylContact O-C 3.56Å; W676-D858 WeakPolarHBondContact O-CA 3.42Å; K677-D858 WeakPolarHBondContact CG-OD1 3.03Å; I769-D858 HydrophobicContact CB-CB 4.19Å; I769-D858 PolarHBondContact N-O 3.26Å; I769-D858 PolarHBondContact O-N 3.03Å; I769-D858 VanDerWaalsContact O-N 3.09Å; Y771-D858 HydrophobicContact CE2-CB 4.18Å; Y771-D858 PolarHBondContact OH-OD2 3.22Å; R856-D858 IonicContact CZ-OD1 3.75Å; R856-D858 IonicContact CZ-OD2 3.21Å; R856-D858 IonicContact NE-OD1 3.04Å; R856-D858 PolarHBondContact NE-OD1 2.99Å; R856-D858 IonicContact NE-OD2 3.08Å; R856-D858 IonicContact NH2-OD1 2.71Å; R856-D858 IonicContact NH2-OD2 3.76Å; R856-D858 PolarHBondContact NH2-OD2 3.25Å
859	I	89.7	Confident	72.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.9	174.8	-54.8	178.1	0	0	0	107.6	L656 K675 W676 L678 I688 L766 E767 L768 V902	L656-I859 HydrophobicContact CD1-CD1 3.89Å; K675-I859 CarbonylContact C-O 3.49Å; K675-I859 WeakPolarHBondContact CA-O 3.42Å; W676-I859 HydrophobicContact CB-CB 4.37Å; W676-I859 HydrophobicContact CE3-CB 4.46Å; W676-I859 HydrophobicContact CE3-CG2 4.29Å; W676-I859 PolarHBondContact N-O 2.87Å; W676-I859 PolarHBondContact O-N 3Å; L678-I859 HydrophobicContact CD1-CD1 3.69Å; L678-I859 HydrophobicContact CD1-CG1 3.87Å; I688-I859 HydrophobicContact CD1-CD1 4.11Å; I688-I859 HydrophobicContact CD1-CG1 4.5Å; I688-I859 HydrophobicContact CG2-CD1 4.42Å; L766-I859 HydrophobicContact CD2-CG2 3.89Å; E767-I859 WeakPolarHBondContact O-CA 3.2Å; L768-I859 HydrophobicContact CD2-CB 4.47Å; L768-I859 HydrophobicContact CD2-CG1 3.98Å; L768-I859 HydrophobicContact CD2-CG2 4.18Å; I859-V902 HydrophobicContact CD1-CG1 3.91Å
860	V	84.2	Confident	70	Confident	17 Å²	17	53 Å²	53	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.6	-178	-176.9	0	0	0	0	109.8	N673 C674 K675 L766 E767 I769 K862	N673-V860 HydrophobicContact CB-CG1 4.4Å; C674-V860 CarbonylContact O-C 3.6Å; C674-V860 WeakPolarHBondContact O-CA 3.1Å; K675-V860 HydrophobicContact CB-CG2 4.48Å; K675-V860 HydrophobicContact CD-CG2 4.39Å; K675-V860 HydrophobicContact CG-CG2 4.11Å; L766-V860 CarbonylContact C-O 3.48Å; L766-V860 WeakPolarHBondContact CA-O 3.27Å; E767-V860 HydrophobicContact CB-CB 4.28Å; E767-V860 PolarHBondContact N-O 3.5Å; E767-V860 PolarHBondContact O-N 3.27Å; I769-V860 HydrophobicContact CD1-CG2 3.77Å; V860-K862 HydrophobicContact CG1-CG 4.24Å
861	L	82.5	Confident	66.9	Low	4 Å²	4	59.7 Å²	59.7	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.6	169.2	177	67	0	0	0	109.3	I658 L662 N673 C674 W676 L766 I863 L898	I658-L861 HydrophobicContact CG2-CD2 3.91Å; L662-L861 HydrophobicContact CD1-CD2 4.46Å; N673-L861 WeakPolarHBondContact CA-O 3.45Å; N673-L861 WeakPolarHBondContact CB-O 3.29Å; N673-L861 PolarHBondContact OD1-O 3.49Å; C674-L861 HydrophobicContact CB-CB 4.35Å; C674-L861 PolarHBondContact N-O 2.82Å; C674-L861 PolarHBondContact O-N 3.4Å; W676-L861 HydrophobicContact CH2-CB 4.33Å; W676-L861 HydrophobicContact CH2-CD2 4.49Å; W676-L861 HydrophobicContact CZ3-CB 3.87Å; L766-L861 HydrophobicContact CD2-CB 4.08Å; L766-L861 HydrophobicContact CD2-CD1 4.04Å; L766-L861 HydrophobicContact CG-CD1 4.46Å; L861-I863 HydrophobicContact CD2-CD1 4.19Å; L861-I863 HydrophobicContact CD2-CG1 4.39Å; L861-I863 HydrophobicContact CG-CD1 4.47Å; L861-I863 HydrophobicContact CG-CG1 4.13Å; L861-L898 HydrophobicContact CD1-CD1 4.29Å
862	K	75.1	Confident	63.9	Low	72 Å²	72	66.5 Å²	66.5	31%	0.313	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.9	173	-69	-163.9	170	168	0	111.6	N673 M764 A765 E767 V860	N673-K862 VanDerWaalsContact OD1-CA 3.3Å; N673-K862 WeakPolarHBondContact OD1-CA 3.42Å; M764-K862 WeakPolarHBondContact CA-O 3.26Å; A765-K862 PolarHBondContact N-O 3.23Å; A765-K862 PolarHBondContact O-N 3.35Å; E767-K862 HydrophobicContact CG-CD 4.28Å; E767-K862 VanDerWaalsContact OE1-CD 3.3Å; E767-K862 WeakPolarHBondContact OE1-CD 3.22Å; E767-K862 VanDerWaalsContact OE1-CE 3.32Å; E767-K862 WeakPolarHBondContact OE1-CE 3.36Å; E767-K862 IonicContact OE1-NZ 3.02Å; E767-K862 PolarHBondContact OE1-NZ 2.85Å; E767-K862 WeakPolarHBondContact OE2-CE 3.27Å; E767-K862 IonicContact OE2-NZ 2.74Å; E767-K862 PolarHBondContact OE2-NZ 3.49Å; V860-K862 HydrophobicContact CG1-CG 4.24Å
863	I	69	Low	61.2	Low	38 Å²	38	72.5 Å²	72.5	20%	0.195	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.4	176.6	-49.8	179.4	0	0	0	108.4	S763 M764 L861	S763-I863 CarbonylContact O-C 3.56Å; M764-I863 HydrophobicContact CG-CG1 4.15Å; M764-I863 HydrophobicContact CG-CG2 4.23Å; M764-I863 HydrophobicContact SD-CG1 4.42Å; L861-I863 HydrophobicContact CD2-CD1 4.19Å; L861-I863 HydrophobicContact CD2-CG1 4.39Å; L861-I863 HydrophobicContact CG-CD1 4.47Å; L861-I863 HydrophobicContact CG-CG1 4.13Å
864	S	61.2	Low	58.8	Low	71 Å²	71	77 Å²	77	50%	0.497	42%	0.417	S	S	.	.			trans	-85	115.2	169.1	65	0	0	0	0	109.9	S763 S866	S763-S864 WeakPolarHBondContact CA-OG 3.5Å; S763-S864 VanDerWaalsContact CB-O 3.31Å; S763-S864 WeakPolarHBondContact CB-O 2.96Å; S763-S864 PolarHBondContact O-N 3.46Å; S763-S864 PolarHBondContact O-OG 2.83Å; S864-S866 PolarHBondContact O-N 2.88Å
865	Q	49.8	Very low	56.4	Low	115 Å²	115	82.2 Å²	82.2	54%	0.537	45%	0.445	S	S	.	.			trans	-73.9	115.5	166.6	-66.8	-177.7	5.8	0	0	107.7	P668 R867	P668-Q865 PolarHBondContact O-NE2 3.13Å; Q865-R867 PolarHBondContact O-N 2.77Å
866	S	42.5	Very low	53.8	Low	90 Å²	90	87.4 Å²	87.4	63%	0.629	47%	0.469	S	S	*	.			trans	-55.2	116.6	160.1	174	0	0	0	0	106.7	S864 N868	S864-S866 PolarHBondContact O-N 2.88Å; S866-N868 PolarHBondContact O-N 2.9Å
867	R	34.5	Very low	50.9	Low	219 Å²	219	91.6 Å²	91.6	83%	0.826	49%	0.494	S	S	*	.			trans	-62	90.3	166.2	-81.2	-174.7	-179.7	-177.1	0.3	106.6	Q865 G869	Q865-R867 PolarHBondContact O-N 2.77Å; R867-G869 PolarHBondContact O-N 2.74Å
868	N	31.5	Very low	47.8	Very low	148 Å²	148	99 Å²	99	79%	0.791	53%	0.534	S	S	*	.			trans	-48.1	127.7	152.2	-88.2	-14	0	0	0	105.9	S866 T870	S866-N868 PolarHBondContact O-N 2.9Å; N868-T870 PolarHBondContact O-N 2.69Å
869	G	30	Very low	45	Very low	60 Å²	60	104 Å²	104	62%	0.619	57%	0.569	S	S	*	*			trans	-35	131.9	-166.3	0	0	0	0	0	112.7	R867 N871	R867-G869 PolarHBondContact O-N 2.74Å; G869-N871 PolarHBondContact O-N 3.45Å
870	T	29.5	Very low	42.2	Very low	101 Å²	101	110.5 Å²	110.5	62%	0.62	60%	0.603	S	S	*	*			trans	-42.7	98.5	156.9	41.2	0	0	0	0	108	N868 N872	N868-T870 PolarHBondContact O-N 2.69Å; T870-N872 PolarHBondContact O-N 3Å
871	N	29.1	Very low	39.7	Very low	141 Å²	141	116.5 Å²	116.5	75%	0.754	64%	0.635	S	S	*	*			trans	-65.3	85.1	153.4	-88.2	-11.9	0	0	0	104.4	G869 N873	G869-N871 PolarHBondContact O-N 3.45Å; N871-N873 PolarHBondContact O-N 2.91Å
872	N	29.3	Very low	37.5	Very low	143 Å²	143	124.1 Å²	124.1	77%	0.765	68%	0.676	S	S	*	*			trans	-61.9	67.4	154.5	-89.6	-6	0	0	0	107.3	T870 N874	T870-N872 PolarHBondContact O-N 3Å; N872-N874 VanDerWaalsContact C-N 3.26Å; N872-N874 PolarHBondContact O-N 3.16Å
873	N	29.8	Very low	35.3	Very low	126 Å²	126	128.2 Å²	128.2	67%	0.674	70%	0.701	S	S	*	*			trans	-88.1	84.7	160.2	-77.6	1	0	0	0	105.1	N871	N871-N873 PolarHBondContact O-N 2.91Å
874	N	29.3	Very low	33.7	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	73%	0.732	S	S	*	*	S	Bend	trans	171.3	78.2	141.9	-80.2	-13.5	0	0	0	107.3	N872	N872-N874 VanDerWaalsContact C-N 3.26Å; N872-N874 PolarHBondContact O-N 3.16Å
875	N	31.4	Very low	32.1	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	74%	0.738	S	S	*	*	S	Bend	trans	-173.8	110	131.5	-87	-18.9	0	0	0	111.2
876	I	30	Very low	31	Very low	144 Å²	144	139.7 Å²	139.7	74%	0.738	76%	0.756	S	S	*	*			trans	80.3	95.1	140	-50.7	167.1	0	0	0	117.7
877	I	27.8	Very low	30.3	Very low	140 Å²	140	143.1 Å²	143.1	72%	0.718	76%	0.759	S	S	*	*				43.4	115.7	119.5	-55.7	170.9	0	0	0	118
878	N	26.7	Very low	30.1	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	76%	0.758	S	S	*	*			trans	59.2	112.1	149	-59.9	-12.6	0	0	0	119.9
879	S	32.4	Very low	29.8	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	75%	0.751	S	S	*	*				177.8	125.7	105.2	-170.3	0	0	0	0	110.5
880	D	31.5	Very low	29.7	Very low	137 Å²	137	146.1 Å²	146.1	73%	0.733	76%	0.763	S	S	*	*			trans	29.8	122.7	147.4	-54.7	-55.7	0	0	0	121.9
881	N	31.5	Very low	29.6	Very low	143 Å²	143	151.6 Å²	151.6	77%	0.765	77%	0.772	S	S	*	*			trans	37.7	106.1	137.5	-69.8	-28.5	0	0	0	118.3
882	N	34.6	Very low	29.9	Very low	165 Å²	165	149.4 Å²	149.4	88%	0.882	77%	0.768	S	S	*	*				-165.5	113.6	123.5	-92	-31.6	0	0	0	112.6	I884	N882-I884 PolarHBondContact O-N 3.27Å
883	N	30.8	Very low	30	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	76%	0.76	S	S	*	*			trans	-53.8	123.4	155.8	-90.2	-38.3	0	0	0	110.4
884	I	33.7	Very low	30.5	Very low	165 Å²	165	150.2 Å²	150.2	85%	0.846	77%	0.766	S	S	*	*			trans	-141.7	125.6	138.2	-59	-174.1	0	0	0	110	N882	N882-I884 PolarHBondContact O-N 3.27Å
885	N	27.7	Very low	31.1	Very low	118 Å²	118	146.4 Å²	146.4	63%	0.631	74%	0.741	S	S	*	*			trans	-53.8	122.4	179.5	-63.9	-55.6	0	0	0	114.7
886	M	28.1	Very low	32	Very low	183 Å²	183	142.8 Å²	142.8	90%	0.901	73%	0.727	S	S	*	*			trans	-121.7	54.8	141	-84.8	-82.4	-111.1	0	0	108.3	Q888	M886-Q888 PolarHBondContact O-N 3.46Å; M886-Q888 VanDerWaalsContact O-N 3.13Å
887	K	27.8	Very low	33.3	Very low	162 Å²	162	137.2 Å²	137.2	70%	0.704	70%	0.699	S	S	*	*			trans	-78.9	65.5	160.8	-78.1	-177.9	177.5	174.5	0	109
888	Q	30.2	Very low	35	Very low	170 Å²	170	130.8 Å²	130.8	79%	0.794	67%	0.666	S	S	*	*			trans	-101.3	81.4	145.8	-80.4	-168.2	-5.4	0	0	106.1	M886 F890	M886-Q888 PolarHBondContact O-N 3.46Å; M886-Q888 VanDerWaalsContact O-N 3.13Å; Q888-F890 VanDerWaalsContact C-N 3.32Å; Q888-F890 PolarHBondContact O-N 3.33Å
889	N	25.5	Very low	36.9	Very low	123 Å²	123	124.6 Å²	124.6	66%	0.658	64%	0.639	S	S	*	*			trans	-55.5	96.8	168.4	-68.3	-33.7	0	0	0	107.9	R891	N889-R891 PolarHBondContact O-N 3.35Å
890	F	27.4	Very low	38.9	Very low	197 Å²	197	120.7 Å²	120.7	86%	0.864	61%	0.608	S	S	*	*			trans	-58.5	95.1	141.1	-83	-86.2	0	0	0	104.1	Q888 S892	Q888-F890 VanDerWaalsContact C-N 3.32Å; Q888-F890 PolarHBondContact O-N 3.33Å; F890-S892 PolarHBondContact O-N 3.01Å
891	R	27.5	Very low	41.2	Very low	215 Å²	215	115 Å²	115	81%	0.811	58%	0.578	S	S	*	*			trans	-58.1	92.7	160.6	-77.6	-177.4	176.7	176.3	-0.5	103.8	N889 I893	N889-R891 PolarHBondContact O-N 3.35Å; R891-I893 HydrophobicContact CB-CG1 4.31Å; R891-I893 PolarHBondContact O-N 3.41Å
892	S	34.6	Very low	43.7	Very low	95 Å²	95	108.2 Å²	108.2	66%	0.664	54%	0.541	S	S	*	.			trans	-58.7	82.2	155.5	56.8	0	0	0	0	104.5	F890 Q894	F890-S892 PolarHBondContact O-N 3.01Å; S892-Q894 VanDerWaalsContact C-N 3.3Å; S892-Q894 PolarHBondContact O-N 3.24Å
893	I	32.7	Very low	46.1	Very low	117 Å²	117	101.2 Å²	101.2	60%	0.6	50%	0.503	S	S	*	.			trans	-54.8	109.2	166.2	-68	165.8	0	0	0	102.5	R891 Y895	R891-I893 HydrophobicContact CB-CG1 4.31Å; R891-I893 PolarHBondContact O-N 3.41Å; I893-Y895 HydrophobicContact CB-CE2 4.47Å; I893-Y895 HydrophobicContact CG2-CD2 4.45Å; I893-Y895 HydrophobicContact CG2-CE2 4.29Å; I893-Y895 WeakPolarHBondContact O-CD2 3.06Å; I893-Y895 PolarHBondContact O-N 3.09Å
894	Q	40.2	Very low	48.9	Very low	170 Å²	170	95.2 Å²	95.2	79%	0.794	47%	0.469	S	S	*	.			trans	-60.1	88	175.5	-73.1	173.1	-47.4	0	0	106.2	S892 S896	S892-Q894 VanDerWaalsContact C-N 3.3Å; S892-Q894 PolarHBondContact O-N 3.24Å; Q894-S896 PolarHBondContact O-N 2.74Å
895	Y	41.3	Very low	51.4	Low	66 Å²	66	90.8 Å²	90.8	26%	0.259	44%	0.444	S	S	.	.			trans	-63.9	97	159.7	-74.8	-85.1	0	0	0	104.2	T762 M764 I893 D897	T762-Y895 HydrophobicContact CG2-CD2 3.75Å; T762-Y895 HydrophobicContact CG2-CE2 4.05Å; T762-Y895 HydrophobicContact CG2-CG 4.42Å; M764-Y895 WeakPolarHBondContact CE-O 3.26Å; I893-Y895 HydrophobicContact CB-CE2 4.47Å; I893-Y895 HydrophobicContact CG2-CD2 4.45Å; I893-Y895 HydrophobicContact CG2-CE2 4.29Å; I893-Y895 WeakPolarHBondContact O-CD2 3.06Å; I893-Y895 PolarHBondContact O-N 3.09Å; Y895-D897 VanDerWaalsContact C-N 3.28Å
896	S	49.8	Very low	54.2	Low	72 Å²	72	85.3 Å²	85.3	50%	0.503	41%	0.414	S	S	.	.			trans	-89.5	0.1	171.7	56.3	0	0	0	0	111.8	I663 Q894	I663-S896 WeakPolarHBondContact CD1-O 3.39Å; Q894-S896 PolarHBondContact O-N 2.74Å
897	D	57.8	Low	56.9	Low	27 Å²	27	77.2 Å²	77.2	14%	0.144	38%	0.375	C	S	.	.	S	Bend	trans	-136.2	142.7	179	-164	-26.7	0	0	0	108.3	N660 R693 Y895 G899	N660-D897 PolarHBondContact ND2-OD2 3.25Å; N660-D897 PolarHBondContact OD1-OD1 2.51Å; N660-D897 PolarHBondContact OD1-OD2 3.11Å; R693-D897 IonicContact NH1-OD1 3.83Å; R693-D897 PolarHBondContact NH1-OD1 2.03Å; R693-D897 IonicContact NH1-OD2 2.96Å; R693-D897 PolarHBondContact NH1-OD2 2.81Å; Y895-D897 VanDerWaalsContact C-N 3.28Å; D897-G899 VanDerWaalsContact C-N 3.27Å; D897-G899 PolarHBondContact OD1-N 3.22Å
898	L	62.7	Low	59.5	Low	5 Å²	5	70.4 Å²	70.4	3%	0.026	35%	0.347	C	S	.	.			trans	-69.9	-29.3	172.2	-158	99.2	0	0	0	111	I658 L766 A836 M840 L861 Y900	I658-L898 HydrophobicContact CD1-CD2 3.86Å; L766-L898 HydrophobicContact CD1-CD1 3.87Å; L766-L898 HydrophobicContact CD1-CD2 3.47Å; L766-L898 VanDerWaalsContact CD1-CD2 3.47Å; L766-L898 HydrophobicContact CD1-CG 4.3Å; L766-L898 HydrophobicContact CG-CD1 3.92Å; L766-L898 HydrophobicContact CG-CD2 4.41Å; A836-L898 HydrophobicContact CB-CD1 3.99Å; A836-L898 HydrophobicContact CB-CG 4.45Å; M840-L898 HydrophobicContact CE-CD2 4.29Å; L861-L898 HydrophobicContact CD1-CD1 4.29Å; L898-Y900 WeakPolarHBondContact O-CD2 3.41Å; L898-Y900 PolarHBondContact O-N 2.8Å
899	G	67.2	Low	62.1	Low	25 Å²	25	65.6 Å²	65.6	26%	0.258	33%	0.327	S	S	.	.			trans	78	-1.2	-177.1	0	0	0	0	0	114.7	R693 D897	R693-G899 PolarHBondContact N-O 3.22Å; D897-G899 VanDerWaalsContact C-N 3.27Å; D897-G899 PolarHBondContact OD1-N 3.22Å
900	Y	75.4	Confident	65.2	Low	23 Å²	23	60.2 Å²	60.2	9%	0.09	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.3	-177.4	-64.2	-96.8	0	0	0	111.1	F690 V691 R692 M840 T841 L898	F690-Y900 HydrophobicContact CB-CD1 4.06Å; F690-Y900 HydrophobicContact CB-CG 4.4Å; V691-Y900 CarbonylContact O-C 3.53Å; V691-Y900 VanDerWaalsContact O-CA 3.25Å; V691-Y900 WeakPolarHBondContact O-CA 3.35Å; R692-Y900 HydrophobicContact CB-CD1 4.06Å; R692-Y900 HydrophobicContact CB-CE1 3.77Å; R692-Y900 HydrophobicContact CG-CE1 4.19Å; M840-Y900 HydrophobicContact CB-CD2 4.11Å; M840-Y900 HydrophobicContact CB-CE2 3.84Å; M840-Y900 HydrophobicContact CG-CD2 3.9Å; M840-Y900 HydrophobicContact CG-CE2 4.02Å; T841-Y900 WeakPolarHBondContact CG2-OH 3.32Å; L898-Y900 WeakPolarHBondContact O-CD2 3.41Å; L898-Y900 PolarHBondContact O-N 2.8Å
901	D	78.5	Confident	68.1	Low	17 Å²	17	51.4 Å²	51.4	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148.6	165.1	-69.6	-43.1	0	0	0	109.9	F655 H657 V691 R693	F655-D901 HydrophobicContact CD1-CB 4.44Å; H657-D901 IonicContact CE1-OD2 3.71Å; H657-D901 IonicContact CG-OD1 3.98Å; H657-D901 IonicContact ND1-OD1 3.78Å; H657-D901 PolarHBondContact ND1-OD1 3.17Å; H657-D901 VanDerWaalsContact ND1-OD1 3.08Å; H657-D901 IonicContact ND1-OD2 3.36Å; H657-D901 PolarHBondContact ND1-OD2 2.74Å; V691-D901 PolarHBondContact N-O 3.5Å; V691-D901 PolarHBondContact O-N 2.9Å; R693-D901 IonicContact CZ-OD1 2.8Å; R693-D901 IonicContact NE-OD1 3.64Å; R693-D901 PolarHBondContact NE-OD1 3.36Å; R693-D901 IonicContact NE-OD2 3.38Å; R693-D901 PolarHBondContact NE-OD2 3.31Å; R693-D901 IonicContact NH2-OD1 3.65Å; R693-D901 PolarHBondContact NH2-OD1 2.77Å
902	V	84.7	Confident	71.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.7	175	-169.6	0	0	0	0	108.7	F655 L656 I658 I688 F690 I859	F655-V902 CarbonylContact C-O 3.55Å; F655-V902 WeakPolarHBondContact CA-O 3.48Å; L656-V902 HydrophobicContact CB-CB 4.09Å; L656-V902 HydrophobicContact CD1-CB 4.26Å; L656-V902 HydrophobicContact CD1-CG1 4.45Å; L656-V902 HydrophobicContact CG-CB 4.45Å; L656-V902 PolarHBondContact N-O 2.77Å; L656-V902 PolarHBondContact O-N 2.76Å; I658-V902 HydrophobicContact CD1-CG2 4.15Å; I688-V902 HydrophobicContact CB-CG1 4.02Å; I688-V902 HydrophobicContact CD1-CG1 4.43Å; I688-V902 HydrophobicContact CG2-CG1 4.32Å; F690-V902 HydrophobicContact CD1-CG2 4.05Å; F690-V902 HydrophobicContact CE1-CG2 3.58Å; F690-V902 HydrophobicContact CZ-CG2 4.32Å; I859-V902 HydrophobicContact CD1-CG1 3.91Å
903	Q	84.8	Confident	73.8	Confident	18 Å²	18	39.8 Å²	39.8	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.2	167.7	-169	178	23	0	0	109.1	G654 F655 I688 R689 V691	G654-Q903 WeakPolarHBondContact O-CA 3.44Å; G654-Q903 WeakPolarHBondContact O-CG 3.25Å; F655-Q903 HydrophobicContact CD1-CB 3.87Å; F655-Q903 HydrophobicContact CD1-CG 4.09Å; F655-Q903 HydrophobicContact CE1-CB 3.68Å; F655-Q903 HydrophobicContact CE1-CG 3.74Å; F655-Q903 HydrophobicContact CE2-CG 4.32Å; F655-Q903 HydrophobicContact CZ-CB 4.32Å; F655-Q903 HydrophobicContact CZ-CG 3.86Å; I688-Q903 CarbonylContact C-O 3.58Å; I688-Q903 VanDerWaalsContact CA-O 3.24Å; I688-Q903 WeakPolarHBondContact CA-O 3.34Å; R689-Q903 HydrophobicContact CG-CB 4.01Å; R689-Q903 PolarHBondContact N-O 3.2Å; R689-Q903 PolarHBondContact O-N 3.23Å; V691-Q903 HydrophobicContact CG2-CB 4.09Å
904	Y	89.6	Confident	76.4	Confident	30 Å²	30	35.2 Å²	35.2	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.8	173.1	68.6	-89.3	0	0	0	111.1	I645 N653 G654 L656 L678 Q687 F906	I645-Y904 HydrophobicContact CD1-CE1 4.32Å; I645-Y904 HydrophobicContact CG2-CE2 4.14Å; N653-Y904 CarbonylContact C-O 3.52Å; N653-Y904 VanDerWaalsContact CA-O 3.22Å; N653-Y904 WeakPolarHBondContact CA-O 3.36Å; N653-Y904 WeakPolarHBondContact CB-O 3.46Å; G654-Y904 PolarHBondContact N-O 2.75Å; G654-Y904 WeakPolarHBondContact O-CD1 3.14Å; G654-Y904 PolarHBondContact O-N 2.84Å; L656-Y904 HydrophobicContact CD1-CD1 4.42Å; L656-Y904 HydrophobicContact CD2-CD1 4.05Å; L656-Y904 HydrophobicContact CD2-CE1 3.84Å; L656-Y904 HydrophobicContact CG-CD1 3.86Å; L656-Y904 HydrophobicContact CG-CE1 4.14Å; L678-Y904 HydrophobicContact CD2-CD1 4.31Å; L678-Y904 HydrophobicContact CD2-CD2 3.99Å; L678-Y904 HydrophobicContact CD2-CG 3.73Å; Q687-Y904 CarbonylContact O-C 3.52Å; Q687-Y904 WeakPolarHBondContact O-CA 2.92Å; Y904-F906 HydrophobicContact CD2-CD2 4.19Å; Y904-F906 AromaticContact CD2-CE2 3.79Å; Y904-F906 HydrophobicContact CD2-CE2 3.79Å; Y904-F906 HydrophobicContact CD2-CZ 4.48Å; Y904-F906 HydrophobicContact CE2-CD2 4.25Å; Y904-F906 AromaticContact CE2-CE2 3.72Å; Y904-F906 HydrophobicContact CE2-CE2 3.72Å
905	K	86.3	Confident	78.2	Confident	73 Å²	73	31.2 Å²	31.2	32%	0.317	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131	173.2	-58.1	-173.2	175.7	179.7	0	109.2	S652 N653 Q687 V907	S652-K905 WeakPolarHBondContact O-CA 3.44Å; N653-K905 HydrophobicContact CB-CB 4.39Å; N653-K905 HydrophobicContact CB-CG 3.78Å; Q687-K905 HydrophobicContact CB-CB 4.38Å; Q687-K905 PolarHBondContact N-O 3.24Å; Q687-K905 PolarHBondContact O-N 3.09Å; K905-V907 HydrophobicContact CB-CG1 3.74Å
906	F	85.3	Confident	80.1	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.2	164.1	-61.7	-80.3	0	0	0	107.7	I645 S647 E651 S652 L678 I686 Y904	I645-F906 HydrophobicContact CG2-CE2 4.13Å; I645-F906 HydrophobicContact CG2-CZ 4.13Å; S647-F906 VanDerWaalsContact CB-CD1 3.5Å; S647-F906 VanDerWaalsContact CB-CG 3.4Å; E651-F906 VanDerWaalsContact CA-O 3.25Å; E651-F906 WeakPolarHBondContact CA-O 3.49Å; S652-F906 PolarHBondContact O-N 3.15Å; S652-F906 VanDerWaalsContact OG-CD2 3.28Å; S652-F906 WeakPolarHBondContact OG-CD2 3.23Å; L678-F906 HydrophobicContact CB-CE1 4.47Å; L678-F906 HydrophobicContact CB-CZ 4.39Å; L678-F906 HydrophobicContact CD2-CZ 4.38Å; I686-F906 HydrophobicContact CD1-CD1 4.45Å; I686-F906 HydrophobicContact CD1-CE1 3.92Å; I686-F906 HydrophobicContact CG1-CD1 3.85Å; I686-F906 HydrophobicContact CG1-CE1 3.79Å; I686-F906 HydrophobicContact CG2-CE1 4.38Å; Y904-F906 HydrophobicContact CD2-CD2 4.19Å; Y904-F906 AromaticContact CD2-CE2 3.79Å; Y904-F906 HydrophobicContact CD2-CE2 3.79Å; Y904-F906 HydrophobicContact CD2-CZ 4.48Å; Y904-F906 HydrophobicContact CE2-CD2 4.25Å; Y904-F906 AromaticContact CE2-CE2 3.72Å; Y904-F906 HydrophobicContact CE2-CE2 3.72Å
907	V	85.7	Confident	81.6	Confident	13 Å²	13	27 Å²	27	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.3	-172.8	-60.2	0	0	0	0	110.6	Q684 R685 Q687 M850 K905 D909	Q684-V907 CarbonylContact C-O 3.59Å; Q684-V907 VanDerWaalsContact CA-O 3.3Å; Q684-V907 WeakPolarHBondContact CA-O 3.49Å; R685-V907 HydrophobicContact CB-CG2 4.19Å; R685-V907 PolarHBondContact N-O 2.97Å; R685-V907 PolarHBondContact O-N 2.83Å; Q687-V907 HydrophobicContact CB-CG2 4.23Å; M850-V907 HydrophobicContact SD-CG2 4.29Å; K905-V907 HydrophobicContact CB-CG1 3.74Å; V907-D909 WeakPolarHBondContact CB-OD1 3.46Å
908	T	83	Confident	82.9	Confident	19 Å²	19	29.4 Å²	29.4	12%	0.117	18%	0.175	C	C	.	.	S	Bend	trans	-109.8	-9.1	167.9	63.6	0	0	0	0	112.6	E651 Q684 Y910 Q919 K921	E651-T908 HydrophobicContact CG-CG2 4.33Å; E651-T908 WeakPolarHBondContact OE1-CB 3.38Å; E651-T908 WeakPolarHBondContact OE1-CG2 3.46Å; E651-T908 PolarHBondContact OE1-OG1 3.26Å; Q684-T908 HydrophobicContact CG-CG2 3.78Å; T908-Y910 WeakPolarHBondContact O-CD2 3.04Å; T908-Y910 VanDerWaalsContact O-CE2 3.25Å; T908-Y910 WeakPolarHBondContact O-CE2 2.76Å; T908-Y910 PolarHBondContact O-N 2.89Å; T908-Q919 PolarHBondContact O-NE2 3.07Å; T908-Q919 PolarHBondContact O-OE1 3.12Å; T908-K921 WeakPolarHBondContact OG1-CD 3.27Å; T908-K921 WeakPolarHBondContact OG1-CE 3.44Å; T908-K921 PolarHBondContact OG1-NZ 2.8Å
909	D	84.7	Confident	83.8	Confident	68 Å²	68	31.2 Å²	31.2	36%	0.364	18%	0.183	S	C	.	.	S	Bend	trans	-83.9	4.6	176.9	68.2	0.2	0	0	0	113.7	V907 G911 V912 Q919 F926	V907-D909 WeakPolarHBondContact CB-OD1 3.46Å; D909-G911 PolarHBondContact O-N 2.88Å; D909-G911 PolarHBondContact OD1-N 3.43Å; D909-V912 PolarHBondContact O-N 2.84Å; D909-V912 VanDerWaalsContact O-N 3.11Å; D909-Q919 VanDerWaalsContact CA-OE1 3.24Å; D909-F926 WeakPolarHBondContact O-CZ 3.36Å
910	Y	90.3	Very high	84.2	Confident	11 Å²	11	34.4 Å²	34.4	4%	0.043	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	17.9	-179	-59.1	-97.1	0	0	0	113.5	R685 M850 T908 V912 P922 C924 P941 N942 I951	R685-Y910 HydrophobicContact CG-CD1 3.69Å; R685-Y910 HydrophobicContact CG-CE1 3.82Å; M850-Y910 VanDerWaalsContact CE-O 3.23Å; M850-Y910 WeakPolarHBondContact CE-O 3.38Å; T908-Y910 WeakPolarHBondContact O-CD2 3.04Å; T908-Y910 VanDerWaalsContact O-CE2 3.25Å; T908-Y910 WeakPolarHBondContact O-CE2 2.76Å; T908-Y910 PolarHBondContact O-N 2.89Å; Y910-V912 PolarHBondContact O-N 2.79Å; Y910-P922 PolarHBondContact OH-O 2.9Å; Y910-C924 HydrophobicContact CD1-CB 3.98Å; Y910-C924 HydrophobicContact CD2-CB 3.8Å; Y910-C924 HydrophobicContact CE1-CB 3.85Å; Y910-C924 HydrophobicContact CE2-CB 3.73Å; Y910-C924 HydrophobicContact CG-CB 3.95Å; Y910-C924 VanDerWaalsContact CG-SG 3.53Å; Y910-C924 PolarHBondContact OH-N 2.75Å; Y910-P941 CarbonylContact O-C 3.57Å; Y910-P941 VanDerWaalsContact O-CA 3.26Å; Y910-P941 WeakPolarHBondContact O-CA 3.24Å; Y910-P941 WeakPolarHBondContact O-CB 3.18Å; Y910-N942 PolarHBondContact O-N 2.88Å; Y910-I951 HydrophobicContact CD1-CD1 3.35Å; Y910-I951 HydrophobicContact CE1-CD1 3.57Å; Y910-I951 HydrophobicContact CG-CD1 4.42Å
911	G	88.6	Confident	83.7	Confident	12 Å²	12	38.6 Å²	38.6	12%	0.124	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.5	-174.5	0	0	0	0	0	113.5	D909 N942	D909-G911 PolarHBondContact O-N 2.88Å; D909-G911 PolarHBondContact OD1-N 3.43Å; G911-N942 PolarHBondContact O-N 2.79Å
912	V	92.6	Very high	82.9	Confident	13 Å²	13	40.6 Å²	40.6	8%	0.079	22%	0.22	C	C	.	.			trans	-78.9	126.2	177	169.4	0	0	0	0	109.1	D909 Y910 A914 F926 P941 Y955	D909-V912 PolarHBondContact O-N 2.84Å; D909-V912 VanDerWaalsContact O-N 3.11Å; Y910-V912 PolarHBondContact O-N 2.79Å; V912-A914 HydrophobicContact CG1-CB 4.11Å; V912-A914 PolarHBondContact O-N 2.99Å; V912-F926 HydrophobicContact CB-CE1 4.03Å; V912-F926 HydrophobicContact CB-CE2 3.84Å; V912-F926 HydrophobicContact CB-CZ 3.52Å; V912-F926 HydrophobicContact CG1-CD1 4.29Å; V912-F926 HydrophobicContact CG1-CD2 4.23Å; V912-F926 HydrophobicContact CG1-CE1 3.99Å; V912-F926 HydrophobicContact CG1-CE2 3.95Å; V912-F926 HydrophobicContact CG1-CG 4.41Å; V912-F926 HydrophobicContact CG1-CZ 3.83Å; V912-F926 HydrophobicContact CG2-CE2 3.69Å; V912-F926 HydrophobicContact CG2-CZ 3.83Å; V912-P941 HydrophobicContact CG2-CB 4.22Å; V912-P941 HydrophobicContact CG2-CG 4.05Å; V912-Y955 HydrophobicContact CG1-CE1 3.91Å
913	I	89	Confident	82.6	Confident	52 Å²	52	44 Å²	44	27%	0.267	24%	0.243	S	C	.	.			trans	-70.6	113.1	167.7	-57.6	174.7	0	0	0	106.4	F938 S939 Y943 F1043	I913-F938 CarbonylContact O-C 3.55Å; I913-F938 WeakPolarHBondContact O-CA 3.44Å; I913-S939 PolarHBondContact N-OG 3.3Å; I913-S939 PolarHBondContact O-N 3.2Å; I913-S939 VanDerWaalsContact O-N 3.14Å; I913-Y943 HydrophobicContact CD1-CD1 3.86Å; I913-Y943 HydrophobicContact CD1-CE1 4.47Å; I913-F1043 HydrophobicContact CD1-CD2 4.31Å; I913-F1043 HydrophobicContact CD1-CE2 4.18Å; I913-F1043 HydrophobicContact CG2-CE2 4.34Å
914	A	86.4	Confident	82.7	Confident	22 Å²	22	43.5 Å²	43.5	18%	0.182	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-142.4	69.2	177.6	0	0	0	0	0	110.1	V912 S916 G917 F926 F928	V912-A914 HydrophobicContact CG1-CB 4.11Å; V912-A914 PolarHBondContact O-N 2.99Å; A914-S916 PolarHBondContact O-N 2.57Å; A914-G917 PolarHBondContact O-N 2.01Å; A914-G917 VanDerWaalsContact O-N 3.09Å; A914-F926 HydrophobicContact CB-CD1 3.78Å; A914-F926 HydrophobicContact CB-CE1 4.1Å; A914-F928 HydrophobicContact CB-CE1 4Å; A914-F928 HydrophobicContact CB-CZ 3.86Å
915	S	78.2	Confident	82.8	Confident	86 Å²	86	43.4 Å²	43.4	60%	0.601	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.3	-170.7	57.8	0	0	0	0	114.6
916	S	82.2	Confident	83.1	Confident	35 Å²	35	40.2 Å²	40.2	25%	0.245	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	10.7	-179.4	-50.5	0	0	0	0	112.6	A914 S933 Y1046	A914-S916 PolarHBondContact O-N 2.57Å; S916-S933 WeakPolarHBondContact OG-CB 3.1Å; S916-Y1046 WeakPolarHBondContact CB-OH 3.36Å
917	G	81.1	Confident	83.5	Confident	15 Å²	15	40.9 Å²	40.9	16%	0.155	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.5	-179.1	0	0	0	0	0	111.4	A914 E927 F928	A914-G917 PolarHBondContact O-N 2.01Å; A914-G917 VanDerWaalsContact O-N 3.09Å; G917-E927 CarbonylContact C-O 3.53Å; G917-E927 WeakPolarHBondContact CA-O 3.42Å; G917-F928 VanDerWaalsContact CA-CD1 3.45Å; G917-F928 VanDerWaalsContact CA-CE1 3.43Å
918	N	84.6	Confident	83.9	Confident	77 Å²	77	40.2 Å²	40.2	41%	0.412	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.9	172.4	-62.5	-70.9	0	0	0	110	E927 Q932	N918-E927 PolarHBondContact N-O 2.75Å; N918-E927 PolarHBondContact O-N 2.78Å; N918-Q932 PolarHBondContact ND2-NE2 3.14Å; N918-Q932 PolarHBondContact ND2-OE1 2.78Å
919	Q	82	Confident	84.4	Confident	42 Å²	42	41 Å²	41	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.6	174.2	-167	-165.4	2.6	0	0	111.3	T908 D909 S923 F925 F926	T908-Q919 PolarHBondContact O-NE2 3.07Å; T908-Q919 PolarHBondContact O-OE1 3.12Å; D909-Q919 VanDerWaalsContact CA-OE1 3.24Å; Q919-S923 PolarHBondContact NE2-O 3.18Å; Q919-F925 CarbonylContact C-O 3.49Å; Q919-F925 WeakPolarHBondContact CA-O 2.89Å; Q919-F926 HydrophobicContact CB-CD1 3.92Å; Q919-F926 HydrophobicContact CB-CE1 3.65Å; Q919-F926 HydrophobicContact CB-CZ 4.21Å; Q919-F926 HydrophobicContact CG-CD1 4.17Å; Q919-F926 HydrophobicContact CG-CE1 3.72Å; Q919-F926 HydrophobicContact CG-CE2 4.27Å; Q919-F926 HydrophobicContact CG-CZ 3.75Å
920	R	74.4	Confident	84.6	Confident	92 Å²	92	39.2 Å²	39.2	35%	0.347	22%	0.22	S	C	.	.			trans	-95.3	99.2	164	-65.1	-167.6	175.5	152.7	1.7	110.9	K460 S923 F925 E927	K460-R920 VanDerWaalsContact NZ-CZ 3.28Å; R920-S923 PolarHBondContact O-N 3.5Å; R920-F925 HydrophobicContact CB-CD1 3.84Å; R920-F925 HydrophobicContact CG-CD1 3.85Å; R920-F925 HydrophobicContact CG-CE1 4.2Å; R920-F925 PolarHBondContact N-O 2.83Å; R920-E927 IonicContact CZ-OE1 2.81Å; R920-E927 IonicContact CZ-OE2 3.35Å; R920-E927 IonicContact NE-OE1 3.67Å; R920-E927 IonicContact NE-OE2 3.41Å; R920-E927 PolarHBondContact NE-OE2 3.24Å; R920-E927 IonicContact NH1-OE1 3.29Å; R920-E927 PolarHBondContact NH1-OE1 2.78Å; R920-E927 IonicContact NH1-OE2 3.71Å; R920-E927 IonicContact NH2-OE1 3.01Å; R920-E927 PolarHBondContact NH2-OE1 2.9Å; R920-E927 IonicContact NH2-OE2 3.01Å; R920-E927 PolarHBondContact NH2-OE2 2.88Å
921	K	65.1	Low	84.5	Confident	112 Å²	112	44 Å²	44	49%	0.487	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	149.7	175.5	-62.8	-172.6	-176.9	-169.4	0	111.4	E651 T908	E651-K921 IonicContact OE1-NZ 3.17Å; E651-K921 PolarHBondContact OE1-NZ 2.74Å; T908-K921 WeakPolarHBondContact OG1-CD 3.27Å; T908-K921 WeakPolarHBondContact OG1-CE 3.44Å; T908-K921 PolarHBondContact OG1-NZ 2.8Å
922	P	63.4	Low	84.4	Confident	59 Å²	59	48.1 Å²	48.1	38%	0.383	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.5	-2.8	3.4	35.7	-34.9	0	0	0	114.9	Y682 Y910	Y682-P922 HydrophobicContact CE1-CB 4.35Å; Y682-P922 HydrophobicContact CE1-CG 4.04Å; Y910-P922 PolarHBondContact OH-O 2.9Å
923	S	77.6	Confident	84.2	Confident	71 Å²	71	49 Å²	49	50%	0.497	28%	0.278	S	S	.	.	S	Bend	trans	-78.1	160.5	-176.1	-57.7	0	0	0	0	112.9	Q919 R920 F925	Q919-S923 PolarHBondContact NE2-O 3.18Å; R920-S923 PolarHBondContact O-N 3.5Å; S923-F925 PolarHBondContact O-N 2.81Å
924	C	87.9	Confident	84.3	Confident	8 Å²	8	50 Å²	50	5%	0.054	28%	0.283	C	S	.	.	S	Bend	trans	-77.4	74.7	170.5	-158.8	0	0	0	0	108.8	Y910 I951 C953 E954	Y910-C924 HydrophobicContact CD1-CB 3.98Å; Y910-C924 HydrophobicContact CD2-CB 3.8Å; Y910-C924 HydrophobicContact CE1-CB 3.85Å; Y910-C924 HydrophobicContact CE2-CB 3.73Å; Y910-C924 HydrophobicContact CG-CB 3.95Å; Y910-C924 VanDerWaalsContact CG-SG 3.53Å; Y910-C924 PolarHBondContact OH-N 2.75Å; C924-I951 HydrophobicContact CB-CD1 4.34Å; C924-C953 HydrophobicContact CB-CB 3.75Å; C924-C953 WeakPolarHBondContact CB-SG 3.16Å; C924-C953 CarbonylContact O-C 3.55Å; C924-C953 WeakPolarHBondContact O-CA 3.46Å; C924-C953 PolarHBondContact O-SG 2.88Å; C924-C953 VanDerWaalsContact O-SG 3.36Å; C924-C953 WeakPolarHBondContact SG-CB 3.41Å; C924-C953 CovalentContact SG-SG 2.04Å; C924-C953 PolarHBondContact SG-SG 3.45Å; C924-E954 PolarHBondContact O-N 2.79Å
925	F	91.5	Very high	84.6	Confident	29 Å²	29	52.7 Å²	52.7	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.1	-178.1	-177.9	-88.6	0	0	0	110.4	Q919 R920 S923 E927 E954 R956	Q919-F925 CarbonylContact C-O 3.49Å; Q919-F925 WeakPolarHBondContact CA-O 2.89Å; R920-F925 HydrophobicContact CB-CD1 3.84Å; R920-F925 HydrophobicContact CG-CD1 3.85Å; R920-F925 HydrophobicContact CG-CE1 4.2Å; R920-F925 PolarHBondContact N-O 2.83Å; S923-F925 PolarHBondContact O-N 2.81Å; F925-E927 HydrophobicContact CD1-CG 4.06Å; F925-E927 HydrophobicContact CE1-CG 3.29Å; F925-E927 HydrophobicContact CZ-CG 3.96Å; F925-E954 CarbonylContact C-O 3.56Å; F925-E954 VanDerWaalsContact CA-O 3.27Å; F925-E954 WeakPolarHBondContact CA-O 3.33Å; F925-E954 HydrophobicContact CD2-CB 3.73Å; F925-E954 HydrophobicContact CD2-CG 3.61Å; F925-E954 HydrophobicContact CE2-CB 4.28Å; F925-E954 VanDerWaalsContact CE2-CD 3.44Å; F925-E954 HydrophobicContact CE2-CG 3.63Å; F925-R956 HydrophobicContact CZ-CB 4.2Å
926	F	92.7	Very high	85.3	Confident	6 Å²	6	49 Å²	49	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.1	-176.1	-66.3	-94.3	0	0	0	111.3	D909 V912 A914 Q919 F928 E954 Y955 R956	D909-F926 WeakPolarHBondContact O-CZ 3.36Å; V912-F926 HydrophobicContact CB-CE1 4.03Å; V912-F926 HydrophobicContact CB-CE2 3.84Å; V912-F926 HydrophobicContact CB-CZ 3.52Å; V912-F926 HydrophobicContact CG1-CD1 4.29Å; V912-F926 HydrophobicContact CG1-CD2 4.23Å; V912-F926 HydrophobicContact CG1-CE1 3.99Å; V912-F926 HydrophobicContact CG1-CE2 3.95Å; V912-F926 HydrophobicContact CG1-CG 4.41Å; V912-F926 HydrophobicContact CG1-CZ 3.83Å; V912-F926 HydrophobicContact CG2-CE2 3.69Å; V912-F926 HydrophobicContact CG2-CZ 3.83Å; A914-F926 HydrophobicContact CB-CD1 3.78Å; A914-F926 HydrophobicContact CB-CE1 4.1Å; Q919-F926 HydrophobicContact CB-CD1 3.92Å; Q919-F926 HydrophobicContact CB-CE1 3.65Å; Q919-F926 HydrophobicContact CB-CZ 4.21Å; Q919-F926 HydrophobicContact CG-CD1 4.17Å; Q919-F926 HydrophobicContact CG-CE1 3.72Å; Q919-F926 HydrophobicContact CG-CE2 4.27Å; Q919-F926 HydrophobicContact CG-CZ 3.75Å; F926-F928 HydrophobicContact CB-CE2 3.81Å; F926-F928 HydrophobicContact CB-CZ 4.22Å; F926-E954 PolarHBondContact N-O 3.43Å; F926-Y955 HydrophobicContact CB-CD1 4.05Å; F926-Y955 HydrophobicContact CD2-CD1 4.27Å; F926-Y955 HydrophobicContact CD2-CE1 4.07Å; F926-Y955 HydrophobicContact CG-CD1 4.42Å; F926-Y955 CarbonylContact O-C 3.48Å; F926-Y955 WeakPolarHBondContact O-CA 3.36Å; F926-R956 PolarHBondContact O-N 2.88Å
927	E	92.9	Very high	85.8	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.8	177.3	-63.3	-178.5	117.5	0	0	111.4	G917 N918 R920 F925 R956	G917-E927 CarbonylContact C-O 3.53Å; G917-E927 WeakPolarHBondContact CA-O 3.42Å; N918-E927 PolarHBondContact N-O 2.75Å; N918-E927 PolarHBondContact O-N 2.78Å; R920-E927 IonicContact CZ-OE1 2.81Å; R920-E927 IonicContact CZ-OE2 3.35Å; R920-E927 IonicContact NE-OE1 3.67Å; R920-E927 IonicContact NE-OE2 3.41Å; R920-E927 PolarHBondContact NE-OE2 3.24Å; R920-E927 IonicContact NH1-OE1 3.29Å; R920-E927 PolarHBondContact NH1-OE1 2.78Å; R920-E927 IonicContact NH1-OE2 3.71Å; R920-E927 IonicContact NH2-OE1 3.01Å; R920-E927 PolarHBondContact NH2-OE1 2.9Å; R920-E927 IonicContact NH2-OE2 3.01Å; R920-E927 PolarHBondContact NH2-OE2 2.88Å; F925-E927 HydrophobicContact CD1-CG 4.06Å; F925-E927 HydrophobicContact CE1-CG 3.29Å; F925-E927 HydrophobicContact CZ-CG 3.96Å; E927-R956 CarbonylContact C-O 3.53Å; E927-R956 WeakPolarHBondContact CA-O 3.39Å; E927-R956 HydrophobicContact CG-CB 4.39Å; E927-R956 IonicContact OE1-CZ 3.61Å; E927-R956 IonicContact OE1-NE 3.84Å; E927-R956 PolarHBondContact OE1-NE 3.15Å; E927-R956 IonicContact OE1-NH2 3.4Å; E927-R956 PolarHBondContact OE1-NH2 2.74Å
928	F	94.6	Very high	86.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.1	175.1	-57.2	-91.9	0	0	0	108.1	A914 G917 F926 F938 Y955 R956 F957 S958 Y1046	A914-F928 HydrophobicContact CB-CE1 4Å; A914-F928 HydrophobicContact CB-CZ 3.86Å; G917-F928 VanDerWaalsContact CA-CD1 3.45Å; G917-F928 VanDerWaalsContact CA-CE1 3.43Å; F926-F928 HydrophobicContact CB-CE2 3.81Å; F926-F928 HydrophobicContact CB-CZ 4.22Å; F928-F938 HydrophobicContact CE1-CB 4.2Å; F928-F938 HydrophobicContact CE2-CB 4.32Å; F928-F938 HydrophobicContact CZ-CB 3.68Å; F928-Y955 HydrophobicContact CE2-CD1 4.04Å; F928-R956 PolarHBondContact N-O 3.3Å; F928-F957 HydrophobicContact CB-CD1 3.62Å; F928-F957 HydrophobicContact CB-CE1 4.04Å; F928-F957 HydrophobicContact CB-CG 4.39Å; F928-F957 HydrophobicContact CD1-CE1 4.39Å; F928-F957 AromaticContact CD2-CD1 3.77Å; F928-F957 HydrophobicContact CD2-CD1 3.77Å; F928-F957 AromaticContact CD2-CE1 3.45Å; F928-F957 HydrophobicContact CD2-CE1 3.45Å; F928-F957 VanDerWaalsContact CD2-CE1 3.45Å; F928-F957 HydrophobicContact CD2-CG 4.42Å; F928-F957 AromaticContact CD2-CZ 3.87Å; F928-F957 HydrophobicContact CD2-CZ 3.87Å; F928-F957 AromaticContact CE2-CE1 3.97Å; F928-F957 HydrophobicContact CE2-CE1 3.97Å; F928-F957 HydrophobicContact CE2-CZ 4.06Å; F928-F957 AromaticContact CG-CD1 3.82Å; F928-F957 HydrophobicContact CG-CD1 3.82Å; F928-F957 AromaticContact CG-CE1 3.7Å; F928-F957 HydrophobicContact CG-CE1 3.7Å; F928-F957 WeakPolarHBondContact O-CA 3.22Å; F928-S958 PolarHBondContact O-N 3.39Å; F928-Y1046 HydrophobicContact CB-CE1 4.25Å; F928-Y1046 HydrophobicContact CB-CE2 4.48Å; F928-Y1046 HydrophobicContact CD1-CD1 4.23Å; F928-Y1046 AromaticContact CD1-CE1 3.34Å; F928-Y1046 HydrophobicContact CD1-CE1 3.34Å; F928-Y1046 AromaticContact CD1-CZ 3.72Å; F928-Y1046 AromaticContact CE1-CE1 3.88Å; F928-Y1046 HydrophobicContact CE1-CE1 3.88Å; F928-Y1046 AromaticContact CG-CE1 3.95Å; F928-Y1046 HydrophobicContact CG-CE1 3.95Å
929	N	92	Very high	87.1	Confident	35 Å²	35	46 Å²	46	19%	0.187	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.7	-179.7	-58.6	-61.5	0	0	0	110.9	S931 Q932 S933 S958	N929-S931 PolarHBondContact O-N 3.25Å; N929-S931 VanDerWaalsContact O-N 3.17Å; N929-Q932 HydrophobicContact CB-CG 4.23Å; N929-Q932 PolarHBondContact ND2-OE1 2.04Å; N929-Q932 VanDerWaalsContact ND2-OE1 3.08Å; N929-Q932 WeakPolarHBondContact O-CB 3.31Å; N929-Q932 PolarHBondContact O-N 3.43Å; N929-S933 PolarHBondContact O-N 3.31Å; N929-S958 CarbonylContact C-O 3.32Å; N929-S958 VanDerWaalsContact CA-O 3.25Å; N929-S958 WeakPolarHBondContact CA-O 3.42Å; N929-S958 PolarHBondContact OD1-OG 3.13Å
930	H	90.5	Very high	87.8	Confident	31 Å²	31	44 Å²	44	14%	0.144	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.2	173.3	176.1	-122.2	0	0	0	112.9	Q932 S958 V962 F1048 D1050	H930-Q932 PolarHBondContact O-N 3.25Å; H930-S958 PolarHBondContact N-O 3.31Å; H930-V962 HydrophobicContact CB-CG2 3.77Å; H930-F1048 HydrophobicContact CB-CB 4.49Å; H930-F1048 HydrophobicContact CB-CD1 4.24Å; H930-F1048 HydrophobicContact CB-CD2 4.04Å; H930-F1048 HydrophobicContact CB-CE1 4.49Å; H930-F1048 HydrophobicContact CB-CE2 4.28Å; H930-F1048 HydrophobicContact CB-CG 4.02Å; H930-F1048 VanDerWaalsContact CD2-CB 3.46Å; H930-F1048 WeakPolarHBondContact CD2-CB 3.41Å; H930-F1048 AromaticContact CD2-CG 3.87Å; H930-D1050 IonicContact CE1-OD1 2.7Å; H930-D1050 PolarHBondContact CE1-OD1 3.01Å; H930-D1050 IonicContact CE1-OD2 3.22Å; H930-D1050 PolarHBondContact CE1-OD2 3Å; H930-D1050 IonicContact ND1-OD1 2.74Å; H930-D1050 IonicContact NE2-OD1 3.26Å; H930-D1050 PolarHBondContact NE2-OD1 2.95Å; H930-D1050 IonicContact NE2-OD2 3.9Å
931	S	87.9	Confident	88.7	Confident	111 Å²	111	39.6 Å²	39.6	78%	0.776	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-20	177.6	55.8	0	0	0	0	114.2	N929	N929-S931 PolarHBondContact O-N 3.25Å; N929-S931 VanDerWaalsContact O-N 3.17Å
932	Q	86.1	Confident	90.1	Very high	98 Å²	98	34.3 Å²	34.3	46%	0.458	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-43.3	-177.7	-68.4	172.2	-33.5	0	0	111.5	N918 N929 H930	N918-Q932 PolarHBondContact ND2-NE2 3.14Å; N918-Q932 PolarHBondContact ND2-OE1 2.78Å; N929-Q932 HydrophobicContact CB-CG 4.23Å; N929-Q932 PolarHBondContact ND2-OE1 2.04Å; N929-Q932 VanDerWaalsContact ND2-OE1 3.08Å; N929-Q932 WeakPolarHBondContact O-CB 3.31Å; N929-Q932 PolarHBondContact O-N 3.43Å; H930-Q932 PolarHBondContact O-N 3.25Å
933	S	88.7	Confident	91.6	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	19%	0.189	C	C	.	.			trans	-157.6	138.5	170.3	-167.4	0	0	0	0	111.2	S916 N929 T935 F1048	S916-S933 WeakPolarHBondContact OG-CB 3.1Å; N929-S933 PolarHBondContact O-N 3.31Å; S933-T935 PolarHBondContact OG-O 2.72Å; S933-F1048 VanDerWaalsContact O-CD2 3.31Å; S933-F1048 WeakPolarHBondContact O-CD2 3.31Å; S933-F1048 WeakPolarHBondContact O-CE2 3.33Å
934	I	90.9	Very high	92	Very high	75 Å²	75	32 Å²	32	39%	0.385	18%	0.182	S	C	.	.	S	Bend	trans	-72.7	-37.7	175.7	-55.9	178.1	0	0	0	110.5	E1047 F1048	I934-E1047 CarbonylContact O-C 3.47Å; I934-E1047 WeakPolarHBondContact O-CA 3.21Å; I934-F1048 HydrophobicContact CG2-CB 4.2Å; I934-F1048 VanDerWaalsContact CG2-O 3.24Å; I934-F1048 WeakPolarHBondContact CG2-O 3.42Å; I934-F1048 VanDerWaalsContact O-CD2 3.31Å; I934-F1048 WeakPolarHBondContact O-CD2 3.36Å; I934-F1048 PolarHBondContact O-N 3.46Å
935	T	92	Very high	92.1	Very high	77 Å²	77	31.7 Å²	31.7	47%	0.472	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.3	178.7	56.5	0	0	0	0	110.6	S933 Y1046 E1047	S933-T935 PolarHBondContact OG-O 2.72Å; T935-Y1046 WeakPolarHBondContact CA-O 3.45Å; T935-E1047 HydrophobicContact CG2-CB 4Å; T935-E1047 HydrophobicContact CG2-CG 3.74Å
936	G	92.8	Very high	92	Very high	8 Å²	8	30.9 Å²	30.9	8%	0.082	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	175.8	174.4	0	0	0	0	0	113.1	V1045 Y1046	G936-V1045 CarbonylContact O-C 3.59Å; G936-V1045 VanDerWaalsContact O-CA 3.32Å; G936-V1045 WeakPolarHBondContact O-CA 3.35Å; G936-Y1046 VanDerWaalsContact C-CD1 3.49Å; G936-Y1046 VanDerWaalsContact C-CE1 3.41Å; G936-Y1046 PolarHBondContact N-O 3.12Å; G936-Y1046 VanDerWaalsContact N-O 3.1Å; G936-Y1046 WeakPolarHBondContact O-CD1 3.31Å; G936-Y1046 PolarHBondContact O-N 3.44Å
937	N	93.4	Very high	92.1	Very high	65 Å²	65	30.7 Å²	30.7	35%	0.348	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.4	-177.6	-58.1	-9.8	0	0	0	109.5	F1043 G1044 V1045	N937-F1043 HydrophobicContact CB-CE2 3.88Å; N937-F1043 HydrophobicContact CB-CZ 3.95Å; N937-G1044 WeakPolarHBondContact CA-O 3.37Å; N937-V1045 WeakPolarHBondContact OD1-CG1 3.46Å
938	F	96.1	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.7	171.2	75	-74.3	0	0	0	110.9	I913 F928 Y955 F957 I967 F969 L1029 F1042 G1044 Y1046	I913-F938 CarbonylContact O-C 3.55Å; I913-F938 WeakPolarHBondContact O-CA 3.44Å; F928-F938 HydrophobicContact CE1-CB 4.2Å; F928-F938 HydrophobicContact CE2-CB 4.32Å; F928-F938 HydrophobicContact CZ-CB 3.68Å; F938-Y955 HydrophobicContact CD2-CD1 4.19Å; F938-Y955 HydrophobicContact CD2-CE1 4.42Å; F938-F957 HydrophobicContact CD1-CE1 4.22Å; F938-F957 AromaticContact CD1-CZ 3.96Å; F938-F957 HydrophobicContact CD1-CZ 3.96Å; F938-F957 HydrophobicContact CD2-CZ 4.14Å; F938-F957 HydrophobicContact CE1-CZ 4.08Å; F938-F957 HydrophobicContact CE2-CZ 4.25Å; F938-F957 HydrophobicContact CG-CE1 4.48Å; F938-F957 AromaticContact CG-CZ 4Å; F938-F957 HydrophobicContact CG-CZ 4Å; F938-F957 HydrophobicContact CZ-CZ 4.23Å; F938-I967 HydrophobicContact CE1-CD1 4.17Å; F938-I967 HydrophobicContact CE1-CG2 3.85Å; F938-I967 HydrophobicContact CZ-CG2 3.64Å; F938-F969 HydrophobicContact CE2-CE1 4.13Å; F938-F969 AromaticContact CZ-CE1 3.92Å; F938-F969 HydrophobicContact CZ-CE1 3.92Å; F938-F969 HydrophobicContact CZ-CZ 4.36Å; F938-L1029 HydrophobicContact CE2-CD1 3.8Å; F938-L1029 HydrophobicContact CZ-CD1 3.99Å; F938-F1042 HydrophobicContact CD2-CE2 4.01Å; F938-F1042 HydrophobicContact CE2-CD2 4.2Å; F938-F1042 AromaticContact CE2-CE2 3.74Å; F938-F1042 HydrophobicContact CE2-CE2 3.74Å; F938-G1044 WeakPolarHBondContact CD1-O 3.39Å; F938-G1044 PolarHBondContact N-O 3.35Å; F938-G1044 PolarHBondContact O-N 3.38Å; F938-G1044 VanDerWaalsContact O-O 3.07Å; F938-Y1046 HydrophobicContact CD1-CD1 4.27Å
939	S	96.4	Very high	91.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	166.7	176.6	75.6	0	0	0	0	112.5	I913 Y955 F1042	I913-S939 PolarHBondContact N-OG 3.3Å; I913-S939 PolarHBondContact O-N 3.2Å; I913-S939 VanDerWaalsContact O-N 3.14Å; S939-Y955 WeakPolarHBondContact O-CE1 3.47Å; S939-Y955 PolarHBondContact O-OH 3.24Å; S939-F1042 CarbonylContact C-O 3.58Å; S939-F1042 VanDerWaalsContact CA-O 3.27Å; S939-F1042 WeakPolarHBondContact CA-O 3.45Å; S939-F1042 WeakPolarHBondContact CB-O 3.44Å
940	S	96.3	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.			trans	-64.4	161.7	160.3	59.8	0	0	0	0	110.4	Y943 G1041 F1042	S940-Y943 PolarHBondContact O-N 2.95Å; S940-G1041 WeakPolarHBondContact OG-CA 3.44Å; S940-F1042 VanDerWaalsContact N-CE2 3.32Å; S940-F1042 PolarHBondContact N-O 3.23Å; S940-F1042 PolarHBondContact OG-N 3.43Å; S940-F1042 PolarHBondContact OG-O 3.39Å
941	P	95.1	Very high	91	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	141.5	173.8	-26.1	37.4	0	0	0	111.9	M850 Y910 V912 Y943 Y947 P948 I951 C953	M850-P941 HydrophobicContact CE-CB 3.62Å; Y910-P941 CarbonylContact O-C 3.57Å; Y910-P941 VanDerWaalsContact O-CA 3.26Å; Y910-P941 WeakPolarHBondContact O-CA 3.24Å; Y910-P941 WeakPolarHBondContact O-CB 3.18Å; V912-P941 HydrophobicContact CG2-CB 4.22Å; V912-P941 HydrophobicContact CG2-CG 4.05Å; P941-Y943 PolarHBondContact O-N 3.22Å; P941-Y943 VanDerWaalsContact O-N 3.16Å; P941-Y947 WeakPolarHBondContact O-CA 3.5Å; P941-P948 HydrophobicContact CB-CG 4.11Å; P941-I951 HydrophobicContact CG-CD1 4.38Å; P941-C953 HydrophobicContact CG-CB 4.11Å
942	N	94.5	Very high	91.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	13.9	178.3	-166.4	43.8	0	0	0	117	Q687 G848 F849 M850 Y910 G911 G945 L946	Q687-N942 VanDerWaalsContact CG-OD1 3.31Å; Q687-N942 WeakPolarHBondContact CG-OD1 3.49Å; Q687-N942 PolarHBondContact NE2-OD1 2.77Å; G848-N942 VanDerWaalsContact C-ND2 3.27Å; G848-N942 PolarHBondContact O-ND2 3.22Å; F849-N942 WeakPolarHBondContact CA-ND2 3.26Å; F849-N942 PolarHBondContact N-ND2 3.35Å; M850-N942 HydrophobicContact CB-CB 3.91Å; M850-N942 HydrophobicContact CE-CB 3.81Å; M850-N942 HydrophobicContact SD-CB 4.09Å; Y910-N942 PolarHBondContact O-N 2.88Å; G911-N942 PolarHBondContact O-N 2.79Å; N942-G945 CarbonylContact O-C 3.46Å; N942-G945 VanDerWaalsContact O-CA 3.23Å; N942-G945 WeakPolarHBondContact O-CA 3.21Å; N942-G945 PolarHBondContact O-N 3.06Å; N942-L946 WeakPolarHBondContact CB-O 3.4Å; N942-L946 PolarHBondContact ND2-O 3Å
943	Y	93.6	Very high	91.5	Very high	27 Å²	27	25 Å²	25	11%	0.106	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	138.8	175.1	-180	-88.5	0	0	0	111.7	I913 S940 P941 E971 F1043	I913-Y943 HydrophobicContact CD1-CD1 3.86Å; I913-Y943 HydrophobicContact CD1-CE1 4.47Å; S940-Y943 PolarHBondContact O-N 2.95Å; P941-Y943 PolarHBondContact O-N 3.22Å; P941-Y943 VanDerWaalsContact O-N 3.16Å; Y943-E971 HydrophobicContact CE2-CB 4.34Å; Y943-E971 PolarHBondContact OH-OE1 3.4Å; Y943-E971 VanDerWaalsContact OH-OE1 3.11Å; Y943-E971 PolarHBondContact OH-OE2 2.75Å; Y943-E971 VanDerWaalsContact OH-OE2 3.11Å; Y943-F1043 HydrophobicContact CD1-CB 4.15Å; Y943-F1043 HydrophobicContact CD1-CD2 4.32Å; Y943-F1043 HydrophobicContact CD1-CG 4.48Å; Y943-F1043 HydrophobicContact CD2-CB 4.27Å; Y943-F1043 HydrophobicContact CE1-CB 3.62Å; Y943-F1043 HydrophobicContact CE1-CD2 4.09Å; Y943-F1043 AromaticContact CE1-CG 3.89Å; Y943-F1043 HydrophobicContact CE1-CG 3.89Å; Y943-F1043 HydrophobicContact CE2-CB 3.76Å; Y943-F1043 HydrophobicContact CG-CB 4.45Å
944	P	86.8	Confident	91.8	Very high	55 Å²	55	25.6 Å²	25.6	36%	0.357	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.7	14.3	6.4	37.6	-38.2	0	0	0	114.9
945	G	89	Confident	92.1	Very high	1 Å²	1	22 Å²	22	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-76	-170.4	170.4	0	0	0	0	0	112.5	G848 N942 T1040	G848-G945 WeakPolarHBondContact O-CA 3.32Å; N942-G945 CarbonylContact O-C 3.46Å; N942-G945 VanDerWaalsContact O-CA 3.23Å; N942-G945 WeakPolarHBondContact O-CA 3.21Å; N942-G945 PolarHBondContact O-N 3.06Å; G945-T1040 WeakPolarHBondContact O-CA 3.16Å
946	L	90.4	Very high	92.2	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.058	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-74.1	131.3	175.4	-65.4	177.7	0	0	0	110.8	P844 A845 G848 F849 N942 V1038 R1039	P844-L946 HydrophobicContact CB-CD2 3.99Å; P844-L946 HydrophobicContact CB-CG 4.41Å; P844-L946 HydrophobicContact CG-CD2 3.83Å; P844-L946 HydrophobicContact CG-CG 4.44Å; A845-L946 HydrophobicContact CB-CD1 3.62Å; A845-L946 HydrophobicContact CB-CG 4.39Å; G848-L946 PolarHBondContact O-N 2.95Å; F849-L946 HydrophobicContact CD2-CD1 4.17Å; F849-L946 HydrophobicContact CE2-CD1 4.45Å; N942-L946 WeakPolarHBondContact CB-O 3.4Å; N942-L946 PolarHBondContact ND2-O 3Å; L946-V1038 HydrophobicContact CB-CG2 4.17Å; L946-V1038 HydrophobicContact CD1-CG2 3.96Å; L946-V1038 HydrophobicContact CD2-CG2 4.49Å; L946-V1038 HydrophobicContact CG-CG2 4.45Å; L946-R1039 CarbonylContact C-O 3.4Å; L946-R1039 VanDerWaalsContact CA-O 3.26Å; L946-R1039 WeakPolarHBondContact CA-O 3.09Å; L946-R1039 VanDerWaalsContact CD2-C 3.42Å; L946-R1039 WeakPolarHBondContact CD2-O 3.48Å
947	Y	93.9	Very high	92.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.008	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-63	151.6	169.5	58.6	-105.2	0	0	0	110.3	P941 E975 D988 F1031 S1033 V1038 R1039 G1041	P941-Y947 WeakPolarHBondContact O-CA 3.5Å; Y947-E975 PolarHBondContact OH-N 2.57Å; Y947-D988 WeakPolarHBondContact CE2-OD2 3.35Å; Y947-D988 PolarHBondContact OH-OD2 2.89Å; Y947-F1031 AromaticContact CD1-CZ 3.95Å; Y947-F1031 HydrophobicContact CD1-CZ 3.95Å; Y947-F1031 HydrophobicContact CD2-CE1 4.1Å; Y947-F1031 AromaticContact CD2-CZ 3.64Å; Y947-F1031 HydrophobicContact CD2-CZ 3.64Å; Y947-F1031 HydrophobicContact CE1-CZ 4.17Å; Y947-F1031 AromaticContact CE2-CZ 3.88Å; Y947-F1031 HydrophobicContact CE2-CZ 3.88Å; Y947-F1031 HydrophobicContact CG-CE1 4.03Å; Y947-F1031 AromaticContact CG-CZ 3.68Å; Y947-F1031 HydrophobicContact CG-CZ 3.68Å; Y947-S1033 WeakPolarHBondContact CE2-OG 3.48Å; Y947-V1038 HydrophobicContact CD2-CB 4.06Å; Y947-V1038 HydrophobicContact CD2-CG1 3.91Å; Y947-V1038 HydrophobicContact CE2-CB 3.84Å; Y947-V1038 HydrophobicContact CE2-CG1 3.8Å; Y947-V1038 WeakPolarHBondContact O-CB 3.29Å; Y947-V1038 VanDerWaalsContact O-CG1 3.26Å; Y947-V1038 WeakPolarHBondContact O-CG1 3.25Å; Y947-R1039 WeakPolarHBondContact CD1-O 2.99Å; Y947-R1039 VanDerWaalsContact CE1-C 3.49Å; Y947-R1039 HydrophobicContact CE1-CB 3.7Å; Y947-R1039 VanDerWaalsContact CE1-O 3.27Å; Y947-R1039 WeakPolarHBondContact CE1-O 3.23Å; Y947-R1039 PolarHBondContact N-O 2.99Å; Y947-R1039 PolarHBondContact OH-N 2.63Å; Y947-G1041 VanDerWaalsContact CD1-CA 3.43Å
948	P	91.4	Very high	92.4	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.013	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-76.3	151.4	-179.7	35.4	-36.2	0	0	0	110.2	M850 S851 P941 I951 S1033	M850-P948 HydrophobicContact CB-CB 4.28Å; M850-P948 HydrophobicContact CE-CB 4.04Å; M850-P948 HydrophobicContact CE-CG 3.44Å; M850-P948 VanDerWaalsContact CE-CG 3.44Å; M850-P948 HydrophobicContact CG-CB 4.45Å; S851-P948 VanDerWaalsContact O-CB 3.32Å; S851-P948 WeakPolarHBondContact O-CB 3.45Å; P941-P948 HydrophobicContact CB-CG 4.11Å; P948-I951 HydrophobicContact CG-CB 4.18Å; P948-I951 HydrophobicContact CG-CD1 3.8Å; P948-I951 HydrophobicContact CG-CG2 3.82Å; P948-I951 WeakPolarHBondContact O-CG2 3.27Å; P948-S1033 PolarHBondContact O-OG 2.9Å
949	I	86.6	Confident	92	Very high	11 Å²	11	20 Å²	20	6%	0.056	11%	0.109	C	C	.	.	S	Bend	trans	-68.9	161.1	169.5	56.1	173.4	0	0	0	112.4	N770 L829 G852 I951 N1034 V1038	N770-I949 HydrophobicContact CB-CD1 4Å; L829-I949 HydrophobicContact CD1-CD1 2.93Å; L829-I949 HydrophobicContact CD1-CG1 4.43Å; L829-I949 HydrophobicContact CG-CD1 4.43Å; G852-I949 WeakPolarHBondContact CA-O 3.48Å; I949-I951 VanDerWaalsContact C-N 3.3Å; I949-I951 PolarHBondContact O-N 3.41Å; I949-N1034 CarbonylContact C-O 3.57Å; I949-N1034 WeakPolarHBondContact CA-O 3.23Å; I949-N1034 WeakPolarHBondContact CB-O 3.47Å; I949-V1038 HydrophobicContact CB-CG1 4.33Å; I949-V1038 HydrophobicContact CG2-CG1 3.29Å
950	D	83.6	Confident	91.4	Very high	74 Å²	74	27.3 Å²	27.3	40%	0.396	15%	0.148	S	C	.	.	S	Bend	trans	49.2	51.4	170.8	-172.7	41.6	0	0	0	111.5	N853 S1033 N1034	N853-D950 HydrophobicContact CB-CB 4.44Å; N853-D950 VanDerWaalsContact CB-OD2 3.31Å; N853-D950 WeakPolarHBondContact CB-OD2 3.36Å; N853-D950 PolarHBondContact ND2-OD2 3.26Å; D950-S1033 VanDerWaalsContact CA-O 3.32Å; D950-S1033 WeakPolarHBondContact CA-O 3.33Å; D950-S1033 PolarHBondContact N-O 2.82Å; D950-N1034 PolarHBondContact N-O 3.38Å
951	I	86.2	Confident	90.8	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.7	179.7	-160.8	164.5	0	0	0	111	Y910 C924 P941 P948 I949 F1031 S1033	Y910-I951 HydrophobicContact CD1-CD1 3.35Å; Y910-I951 HydrophobicContact CE1-CD1 3.57Å; Y910-I951 HydrophobicContact CG-CD1 4.42Å; C924-I951 HydrophobicContact CB-CD1 4.34Å; P941-I951 HydrophobicContact CG-CD1 4.38Å; P948-I951 HydrophobicContact CG-CB 4.18Å; P948-I951 HydrophobicContact CG-CD1 3.8Å; P948-I951 HydrophobicContact CG-CG2 3.82Å; P948-I951 WeakPolarHBondContact O-CG2 3.27Å; I949-I951 VanDerWaalsContact C-N 3.3Å; I949-I951 PolarHBondContact O-N 3.41Å; I951-F1031 HydrophobicContact CG2-CD1 4.48Å; I951-F1031 HydrophobicContact CG2-CE1 4.19Å; I951-S1033 PolarHBondContact N-O 2.77Å; I951-S1033 PolarHBondContact O-N 2.98Å
952	V	90.7	Very high	90.5	Very high	80 Å²	80	33.3 Å²	33.3	49%	0.485	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.9	164.3	-175.3	0	0	0	0	107.6	F1031 F1032	V952-F1031 CarbonylContact C-O 3.54Å; V952-F1031 VanDerWaalsContact CA-O 3.32Å; V952-F1031 WeakPolarHBondContact CA-O 3.32Å; V952-F1032 HydrophobicContact CB-CD1 4.42Å; V952-F1032 HydrophobicContact CG1-CD1 3.94Å; V952-F1032 HydrophobicContact CG1-CE1 3.71Å; V952-F1032 HydrophobicContact CG1-CZ 4.32Å; V952-F1032 HydrophobicContact CG2-CD1 3.71Å; V952-F1032 HydrophobicContact CG2-CE1 4.02Å
953	C	93.8	Very high	90.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128	176.2	-156.7	0	0	0	0	111.4	C924 P941 Y955 K1030 F1031	C924-C953 HydrophobicContact CB-CB 3.75Å; C924-C953 WeakPolarHBondContact CB-SG 3.16Å; C924-C953 CarbonylContact O-C 3.55Å; C924-C953 WeakPolarHBondContact O-CA 3.46Å; C924-C953 PolarHBondContact O-SG 2.88Å; C924-C953 VanDerWaalsContact O-SG 3.36Å; C924-C953 WeakPolarHBondContact SG-CB 3.41Å; C924-C953 CovalentContact SG-SG 2.04Å; C924-C953 PolarHBondContact SG-SG 3.45Å; P941-C953 HydrophobicContact CG-CB 4.11Å; C953-Y955 HydrophobicContact CB-CE2 3.96Å; C953-Y955 PolarHBondContact SG-OH 3.02Å; C953-Y955 VanDerWaalsContact SG-OH 3.38Å; C953-K1030 CarbonylContact O-C 3.51Å; C953-K1030 WeakPolarHBondContact O-CA 3.3Å; C953-F1031 HydrophobicContact CB-CB 4.46Å; C953-F1031 PolarHBondContact N-O 2.84Å; C953-F1031 PolarHBondContact O-N 3.14Å
954	E	94.8	Very high	90.1	Very high	42 Å²	42	40.7 Å²	40.7	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.9	-174.7	178.3	171	-170	0	0	111.4	C924 F925 F926 L1029 K1030	C924-E954 PolarHBondContact O-N 2.79Å; F925-E954 CarbonylContact C-O 3.56Å; F925-E954 VanDerWaalsContact CA-O 3.27Å; F925-E954 WeakPolarHBondContact CA-O 3.33Å; F925-E954 HydrophobicContact CD2-CB 3.73Å; F925-E954 HydrophobicContact CD2-CG 3.61Å; F925-E954 HydrophobicContact CE2-CB 4.28Å; F925-E954 VanDerWaalsContact CE2-CD 3.44Å; F925-E954 HydrophobicContact CE2-CG 3.63Å; F926-E954 PolarHBondContact N-O 3.43Å; E954-L1029 CarbonylContact C-O 3.54Å; E954-L1029 WeakPolarHBondContact CA-O 3.48Å; E954-K1030 HydrophobicContact CB-CG 4.08Å; E954-K1030 HydrophobicContact CG-CG 3.9Å; E954-K1030 WeakPolarHBondContact OE1-CE 3.08Å; E954-K1030 IonicContact OE1-NZ 2.71Å; E954-K1030 WeakPolarHBondContact OE2-CE 3.45Å; E954-K1030 IonicContact OE2-NZ 2.76Å
955	Y	96.6	Very high	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120	-177.9	-49.9	-101.7	0	0	0	107.9	V912 F926 F928 F938 S939 C953 L1029 F1031 F1042	V912-Y955 HydrophobicContact CG1-CE1 3.91Å; F926-Y955 HydrophobicContact CB-CD1 4.05Å; F926-Y955 HydrophobicContact CD2-CD1 4.27Å; F926-Y955 HydrophobicContact CD2-CE1 4.07Å; F926-Y955 HydrophobicContact CG-CD1 4.42Å; F926-Y955 CarbonylContact O-C 3.48Å; F926-Y955 WeakPolarHBondContact O-CA 3.36Å; F928-Y955 HydrophobicContact CE2-CD1 4.04Å; F938-Y955 HydrophobicContact CD2-CD1 4.19Å; F938-Y955 HydrophobicContact CD2-CE1 4.42Å; S939-Y955 WeakPolarHBondContact O-CE1 3.47Å; S939-Y955 PolarHBondContact O-OH 3.24Å; C953-Y955 HydrophobicContact CB-CE2 3.96Å; C953-Y955 PolarHBondContact SG-OH 3.02Å; C953-Y955 VanDerWaalsContact SG-OH 3.38Å; Y955-L1029 HydrophobicContact CD2-CD2 3.45Å; Y955-L1029 VanDerWaalsContact CD2-CD2 3.45Å; Y955-L1029 WeakPolarHBondContact CD2-O 2.96Å; Y955-L1029 HydrophobicContact CE2-CD2 4Å; Y955-L1029 HydrophobicContact CG-CD2 4.24Å; Y955-L1029 PolarHBondContact N-O 3.01Å; Y955-L1029 PolarHBondContact O-N 2.77Å; Y955-F1031 HydrophobicContact CE2-CB 4.34Å; Y955-F1042 HydrophobicContact CE2-CZ 4.12Å
956	R	95.2	Very high	90.6	Very high	72 Å²	72	39 Å²	39	27%	0.272	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.4	-179.3	-177.2	169	84.3	136.6	14.5	110.3	F925 F926 E927 F928 L1027 N1028	F925-R956 HydrophobicContact CZ-CB 4.2Å; F926-R956 PolarHBondContact O-N 2.88Å; E927-R956 CarbonylContact C-O 3.53Å; E927-R956 WeakPolarHBondContact CA-O 3.39Å; E927-R956 HydrophobicContact CG-CB 4.39Å; E927-R956 IonicContact OE1-CZ 3.61Å; E927-R956 IonicContact OE1-NE 3.84Å; E927-R956 PolarHBondContact OE1-NE 3.15Å; E927-R956 IonicContact OE1-NH2 3.4Å; E927-R956 PolarHBondContact OE1-NH2 2.74Å; F928-R956 PolarHBondContact N-O 3.3Å; R956-L1027 WeakPolarHBondContact CA-O 3.38Å; R956-N1028 VanDerWaalsContact CG-OD1 3.25Å; R956-N1028 WeakPolarHBondContact CG-OD1 3.41Å
957	F	96.2	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.3	175.5	-54	-95	0	0	0	108	F928 F938 I965 I967 C1026 L1027 L1029 Y1046 F1048	F928-F957 HydrophobicContact CB-CD1 3.62Å; F928-F957 HydrophobicContact CB-CE1 4.04Å; F928-F957 HydrophobicContact CB-CG 4.39Å; F928-F957 HydrophobicContact CD1-CE1 4.39Å; F928-F957 AromaticContact CD2-CD1 3.77Å; F928-F957 HydrophobicContact CD2-CD1 3.77Å; F928-F957 AromaticContact CD2-CE1 3.45Å; F928-F957 HydrophobicContact CD2-CE1 3.45Å; F928-F957 VanDerWaalsContact CD2-CE1 3.45Å; F928-F957 HydrophobicContact CD2-CG 4.42Å; F928-F957 AromaticContact CD2-CZ 3.87Å; F928-F957 HydrophobicContact CD2-CZ 3.87Å; F928-F957 AromaticContact CE2-CE1 3.97Å; F928-F957 HydrophobicContact CE2-CE1 3.97Å; F928-F957 HydrophobicContact CE2-CZ 4.06Å; F928-F957 AromaticContact CG-CD1 3.82Å; F928-F957 HydrophobicContact CG-CD1 3.82Å; F928-F957 AromaticContact CG-CE1 3.7Å; F928-F957 HydrophobicContact CG-CE1 3.7Å; F928-F957 WeakPolarHBondContact O-CA 3.22Å; F938-F957 HydrophobicContact CD1-CE1 4.22Å; F938-F957 AromaticContact CD1-CZ 3.96Å; F938-F957 HydrophobicContact CD1-CZ 3.96Å; F938-F957 HydrophobicContact CD2-CZ 4.14Å; F938-F957 HydrophobicContact CE1-CZ 4.08Å; F938-F957 HydrophobicContact CE2-CZ 4.25Å; F938-F957 HydrophobicContact CG-CE1 4.48Å; F938-F957 AromaticContact CG-CZ 4Å; F938-F957 HydrophobicContact CG-CZ 4Å; F938-F957 HydrophobicContact CZ-CZ 4.23Å; F957-I965 HydrophobicContact CB-CD1 4.15Å; F957-I965 HydrophobicContact CB-CG2 4.16Å; F957-I967 HydrophobicContact CD1-CD1 4.25Å; F957-I967 HydrophobicContact CD2-CD1 4.35Å; F957-I967 HydrophobicContact CE1-CD1 4.07Å; F957-I967 HydrophobicContact CE2-CD1 4.16Å; F957-I967 HydrophobicContact CG-CD1 4.4Å; F957-I967 HydrophobicContact CZ-CD1 4.02Å; F957-C1026 CarbonylContact O-C 3.47Å; F957-C1026 VanDerWaalsContact O-CA 3.31Å; F957-C1026 WeakPolarHBondContact O-CA 3.38Å; F957-L1027 HydrophobicContact CB-CB 4.32Å; F957-L1027 HydrophobicContact CD2-CD2 4.26Å; F957-L1027 HydrophobicContact CD2-CG 4.38Å; F957-L1027 PolarHBondContact N-O 3.17Å; F957-L1027 PolarHBondContact O-N 3.03Å; F957-L1029 HydrophobicContact CE2-CB 4.24Å; F957-Y1046 HydrophobicContact CD1-CD1 4.05Å; F957-Y1046 HydrophobicContact CD1-CD2 4.17Å; F957-Y1046 AromaticContact CD1-CG 3.8Å; F957-Y1046 HydrophobicContact CD1-CG 3.8Å; F957-Y1046 AromaticContact CE1-CD1 3.54Å; F957-Y1046 HydrophobicContact CE1-CD1 3.54Å; F957-Y1046 HydrophobicContact CE1-CD2 4.47Å; F957-Y1046 HydrophobicContact CE1-CE1 4.21Å; F957-Y1046 AromaticContact CE1-CG 3.68Å; F957-Y1046 HydrophobicContact CE1-CG 3.68Å; F957-F1048 HydrophobicContact CB-CE1 4.12Å; F957-F1048 HydrophobicContact CB-CZ 4.02Å
958	S	93.9	Very high	90.8	Very high	20 Å²	20	41.1 Å²	41.1	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.4	-179	73	0	0	0	0	113.7	F928 N929 H930 P1025 C1026	F928-S958 PolarHBondContact O-N 3.39Å; N929-S958 CarbonylContact C-O 3.32Å; N929-S958 VanDerWaalsContact CA-O 3.25Å; N929-S958 WeakPolarHBondContact CA-O 3.42Å; N929-S958 PolarHBondContact OD1-OG 3.13Å; H930-S958 PolarHBondContact N-O 3.31Å; S958-P1025 WeakPolarHBondContact CA-O 3.42Å; S958-C1026 VanDerWaalsContact CB-SG 3.57Å
959	G	87.3	Confident	90.9	Very high	16 Å²	16	41 Å²	41	17%	0.165	20%	0.204	C	C	.	.			trans	-167.7	146	177.7	0	0	0	0	0	114.1	P1025	G959-P1025 PolarHBondContact N-O 3.22Å; G959-P1025 VanDerWaalsContact N-O 3.11Å
960	L	83.8	Confident	91.2	Very high	153 Å²	153	44.4 Å²	44.4	80%	0.801	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	139.4	169.3	-61.3	174.9	0	0	0	109.1	V962	L960-V962 PolarHBondContact O-N 2.75Å
961	N	83.3	Confident	91.5	Very high	124 Å²	124	45.8 Å²	45.8	66%	0.663	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	11.4	-178	-52.9	-40.4	0	0	0	116.3	R963 D1050 F1051	N961-R963 PolarHBondContact O-N 3.39Å; N961-D1050 WeakPolarHBondContact O-CA 3.38Å; N961-F1051 VanDerWaalsContact O-CD2 3.27Å; N961-F1051 WeakPolarHBondContact O-CD2 3.48Å; N961-F1051 PolarHBondContact O-N 3.45Å
962	V	88.4	Confident	91.9	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.6	173.7	173.6	0	0	0	0	109.6	H930 L960 R964 I965 P1025 F1048	H930-V962 HydrophobicContact CB-CG2 3.77Å; L960-V962 PolarHBondContact O-N 2.75Å; V962-R964 WeakPolarHBondContact CG1-O 3.23Å; V962-I965 HydrophobicContact CG1-CD1 4.38Å; V962-I965 HydrophobicContact CG1-CG1 3.66Å; V962-P1025 HydrophobicContact CB-CB 4.42Å; V962-P1025 WeakPolarHBondContact O-CB 3.42Å; V962-F1048 HydrophobicContact CB-CD1 4.5Å; V962-F1048 HydrophobicContact CG1-CD1 3.9Å; V962-F1048 HydrophobicContact CG2-CB 4.23Å; V962-F1048 HydrophobicContact CG2-CD1 3.79Å; V962-F1048 HydrophobicContact CG2-CG 4.3Å
963	R	88.2	Confident	91.9	Very high	121 Å²	121	42.7 Å²	42.7	46%	0.457	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-35.7	174.3	-176.8	178.4	-179.2	-161.4	-0.7	112	N961 H1023 H1049 F1051	N961-R963 PolarHBondContact O-N 3.39Å; R963-H1023 CarbonylContact O-C 3.54Å; R963-H1049 PolarHBondContact N-O 2.86Å; R963-F1051 HydrophobicContact CB-CD1 4.05Å; R963-F1051 HydrophobicContact CB-CD2 3.89Å; R963-F1051 HydrophobicContact CB-CE1 3.91Å; R963-F1051 HydrophobicContact CB-CE2 3.72Å; R963-F1051 HydrophobicContact CB-CG 4.03Å; R963-F1051 HydrophobicContact CB-CZ 3.74Å; R963-F1051 HydrophobicContact CG-CD1 4.05Å; R963-F1051 HydrophobicContact CG-CE1 3.61Å; R963-F1051 HydrophobicContact CG-CE2 4.24Å; R963-F1051 HydrophobicContact CG-CZ 3.71Å
964	R	91	Very high	91.7	Very high	62 Å²	62	42.7 Å²	42.7	23%	0.234	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	141.5	-175.2	-173.5	-176	69.2	167.9	7.6	110.7	V962 D966 W1022 H1023 H1049	V962-R964 WeakPolarHBondContact CG1-O 3.23Å; R964-D966 WeakPolarHBondContact CD-OD1 3.47Å; R964-D966 WeakPolarHBondContact CG-OD1 2.99Å; R964-D966 IonicContact CZ-OD1 2.69Å; R964-D966 IonicContact CZ-OD2 2.79Å; R964-D966 IonicContact NE-OD1 3.1Å; R964-D966 PolarHBondContact NE-OD1 3.07Å; R964-D966 IonicContact NE-OD2 2.75Å; R964-D966 PolarHBondContact NE-OD2 3.35Å; R964-D966 IonicContact NH1-OD2 3.82Å; R964-D966 IonicContact NH2-OD1 3.6Å; R964-D966 IonicContact NH2-OD2 2.89Å; R964-D966 PolarHBondContact NH2-OD2 2.91Å; R964-W1022 CarbonylContact C-O 3.56Å; R964-W1022 WeakPolarHBondContact CA-O 3.35Å; R964-W1022 WeakPolarHBondContact CG-O 3.5Å; R964-H1023 VanDerWaalsContact CD-CE1 3.42Å; R964-H1023 WeakPolarHBondContact CD-CE1 3.47Å; R964-H1049 HydrophobicContact CB-CB 4.29Å; R964-H1049 PolarHBondContact N-O 3.42Å; R964-H1049 PolarHBondContact NE-CD2 2.91Å; R964-H1049 PolarHBondContact NH2-CD2 3.39Å; R964-H1049 VanDerWaalsContact NH2-CD2 3.34Å; R964-H1049 PolarHBondContact NH2-CE1 3.49Å; R964-H1049 PolarHBondContact NH2-NE2 3.35Å; R964-H1049 PolarHBondContact O-N 3.01Å
965	I	94.3	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.2	172.3	-53	172.7	0	0	0	106.8	F957 V962 I967 W1022 L1027 F1048	F957-I965 HydrophobicContact CB-CD1 4.15Å; F957-I965 HydrophobicContact CB-CG2 4.16Å; V962-I965 HydrophobicContact CG1-CD1 4.38Å; V962-I965 HydrophobicContact CG1-CG1 3.66Å; I965-I967 HydrophobicContact CG2-CD1 4.25Å; I965-W1022 HydrophobicContact CB-CB 4.28Å; I965-W1022 PolarHBondContact N-O 2.7Å; I965-W1022 WeakPolarHBondContact O-CB 3.24Å; I965-W1022 PolarHBondContact O-N 3.16Å; I965-L1027 HydrophobicContact CD1-CB 3.84Å; I965-L1027 HydrophobicContact CG2-CD2 4.2Å; I965-F1048 HydrophobicContact CD1-CD1 4.3Å; I965-F1048 HydrophobicContact CD1-CE1 3.9Å; I965-F1048 HydrophobicContact CG1-CD1 3.83Å; I965-F1048 HydrophobicContact CG1-CE1 3.93Å; I965-F1048 HydrophobicContact CG2-CD1 4.41Å; I965-F1048 HydrophobicContact CG2-CE1 4.31Å
966	D	93.8	Very high	90.6	Very high	22 Å²	22	43 Å²	43	12%	0.118	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.6	175.5	-74.4	-2.7	0	0	0	109	R964 I1020 H1021 Y1046 E1047 H1049	R964-D966 WeakPolarHBondContact CD-OD1 3.47Å; R964-D966 WeakPolarHBondContact CG-OD1 2.99Å; R964-D966 IonicContact CZ-OD1 2.69Å; R964-D966 IonicContact CZ-OD2 2.79Å; R964-D966 IonicContact NE-OD1 3.1Å; R964-D966 PolarHBondContact NE-OD1 3.07Å; R964-D966 IonicContact NE-OD2 2.75Å; R964-D966 PolarHBondContact NE-OD2 3.35Å; R964-D966 IonicContact NH1-OD2 3.82Å; R964-D966 IonicContact NH2-OD1 3.6Å; R964-D966 IonicContact NH2-OD2 2.89Å; R964-D966 PolarHBondContact NH2-OD2 2.91Å; D966-I1020 CarbonylContact C-O 3.5Å; D966-I1020 WeakPolarHBondContact CA-O 3.44Å; D966-H1021 IonicContact OD1-CE1 3.52Å; D966-H1021 IonicContact OD1-CG 3.53Å; D966-H1021 IonicContact OD1-ND1 2.74Å; D966-H1021 PolarHBondContact OD1-ND1 2.94Å; D966-H1021 IonicContact OD2-CE1 3.28Å; D966-H1021 PolarHBondContact OD2-CE1 3.1Å; D966-H1021 IonicContact OD2-ND1 3.08Å; D966-H1021 PolarHBondContact OD2-ND1 2.96Å; D966-H1021 VanDerWaalsContact OD2-ND1 3.1Å; D966-Y1046 CarbonylContact O-C 3.58Å; D966-Y1046 VanDerWaalsContact O-CA 3.28Å; D966-Y1046 WeakPolarHBondContact O-CA 3.29Å; D966-E1047 PolarHBondContact N-O 3.3Å; D966-E1047 PolarHBondContact O-N 3.04Å; D966-H1049 IonicContact OD2-CD2 3.05Å; D966-H1049 IonicContact OD2-NE2 3.08Å; D966-H1049 PolarHBondContact OD2-NE2 3.46Å; D966-H1049 VanDerWaalsContact OD2-NE2 3.08Å
967	I	95.5	Very high	89.5	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.3	173.5	-57.2	-65.1	0	0	0	108.2	F938 F957 I965 F969 R1019 I1020 L1027 V1045	F938-I967 HydrophobicContact CE1-CD1 4.17Å; F938-I967 HydrophobicContact CE1-CG2 3.85Å; F938-I967 HydrophobicContact CZ-CG2 3.64Å; F957-I967 HydrophobicContact CD1-CD1 4.25Å; F957-I967 HydrophobicContact CD2-CD1 4.35Å; F957-I967 HydrophobicContact CE1-CD1 4.07Å; F957-I967 HydrophobicContact CE2-CD1 4.16Å; F957-I967 HydrophobicContact CG-CD1 4.4Å; F957-I967 HydrophobicContact CZ-CD1 4.02Å; I965-I967 HydrophobicContact CG2-CD1 4.25Å; I967-F969 HydrophobicContact CG2-CD2 4.46Å; I967-F969 HydrophobicContact CG2-CE2 4.15Å; I967-F969 HydrophobicContact CG2-CZ 4.31Å; I967-R1019 WeakPolarHBondContact O-CA 3.38Å; I967-I1020 HydrophobicContact CB-CB 4.21Å; I967-I1020 HydrophobicContact CB-CD1 4.16Å; I967-I1020 HydrophobicContact CG2-CD1 4.16Å; I967-I1020 PolarHBondContact N-O 3.34Å; I967-I1020 PolarHBondContact O-N 2.8Å; I967-L1027 HydrophobicContact CD1-CD2 4.27Å; I967-L1027 HydrophobicContact CG1-CD2 3.67Å; I967-V1045 WeakPolarHBondContact CA-O 3.44Å
968	E	92.7	Very high	88.5	Confident	54 Å²	54	44.7 Å²	44.7	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.1	173	175.6	167	-152.7	0	0	109.9	L970 R1019 G1044 V1045	E968-L970 HydrophobicContact CG-CD2 4.27Å; E968-R1019 HydrophobicContact CB-CG 4.29Å; E968-R1019 HydrophobicContact CG-CG 4.04Å; E968-R1019 IonicContact OE1-CZ 3.03Å; E968-R1019 IonicContact OE1-NE 2.99Å; E968-R1019 PolarHBondContact OE1-NE 3.05Å; E968-R1019 IonicContact OE1-NH2 2.6Å; E968-R1019 PolarHBondContact OE1-NH2 2.87Å; E968-R1019 IonicContact OE2-NE 2.65Å; E968-R1019 IonicContact OE2-NH2 3.63Å; E968-G1044 CarbonylContact O-C 3.52Å; E968-G1044 WeakPolarHBondContact O-CA 3.43Å; E968-V1045 HydrophobicContact CB-CG2 3.9Å; E968-V1045 PolarHBondContact N-O 2.88Å; E968-V1045 PolarHBondContact O-N 3.18Å
969	F	94.2	Very high	87.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.3	172	-66.8	-79.2	0	0	0	109.9	F938 I967 F972 V990 L1008 Q1012 P1017 F1018 I1020 L1029 F1042	F938-F969 HydrophobicContact CE2-CE1 4.13Å; F938-F969 AromaticContact CZ-CE1 3.92Å; F938-F969 HydrophobicContact CZ-CE1 3.92Å; F938-F969 HydrophobicContact CZ-CZ 4.36Å; I967-F969 HydrophobicContact CG2-CD2 4.46Å; I967-F969 HydrophobicContact CG2-CE2 4.15Å; I967-F969 HydrophobicContact CG2-CZ 4.31Å; F969-F972 HydrophobicContact CB-CB 4.18Å; F969-F972 HydrophobicContact CB-CD2 4.28Å; F969-F972 AromaticContact CD1-CD2 3.72Å; F969-F972 HydrophobicContact CD1-CD2 3.72Å; F969-F972 HydrophobicContact CD1-CE2 4.39Å; F969-F972 HydrophobicContact CD2-CD2 4.16Å; F969-F972 AromaticContact CE1-CD2 3.96Å; F969-F972 HydrophobicContact CE1-CD2 3.96Å; F969-F972 HydrophobicContact CE1-CE2 4.18Å; F969-F972 HydrophobicContact CE2-CD2 4.35Å; F969-F972 HydrophobicContact CE2-CE2 4.36Å; F969-F972 AromaticContact CG-CD2 3.8Å; F969-F972 HydrophobicContact CG-CD2 3.8Å; F969-F972 HydrophobicContact CZ-CD2 4.25Å; F969-F972 HydrophobicContact CZ-CE2 4.14Å; F969-V990 HydrophobicContact CZ-CG1 4.3Å; F969-L1008 HydrophobicContact CD2-CD1 4.35Å; F969-L1008 HydrophobicContact CE2-CD1 3.72Å; F969-Q1012 PolarHBondContact O-NE2 3.32Å; F969-Q1012 PolarHBondContact O-OE1 2.88Å; F969-P1017 WeakPolarHBondContact O-CB 3.36Å; F969-F1018 HydrophobicContact CB-CB 4.35Å; F969-F1018 HydrophobicContact CD2-CB 3.76Å; F969-F1018 PolarHBondContact N-O 3.43Å; F969-I1020 HydrophobicContact CD2-CD1 4.28Å; F969-I1020 HydrophobicContact CE2-CD1 3.59Å; F969-L1029 HydrophobicContact CZ-CD1 3.93Å; F969-F1042 HydrophobicContact CD1-CB 3.89Å; F969-F1042 HydrophobicContact CD1-CD2 4.08Å; F969-F1042 HydrophobicContact CD1-CG 4.15Å; F969-F1042 HydrophobicContact CE1-CB 4.09Å; F969-F1042 AromaticContact CE1-CD2 3.63Å; F969-F1042 HydrophobicContact CE1-CD2 3.63Å; F969-F1042 HydrophobicContact CE1-CE2 4.21Å; F969-F1042 AromaticContact CE1-CG 3.84Å; F969-F1042 HydrophobicContact CE1-CG 3.84Å
970	L	91.6	Very high	86.8	Confident	83 Å²	83	57.2 Å²	57.2	44%	0.435	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-38.6	175.6	-60	179.7	0	0	0	110.8	E968 Q1012 F1043 V1045	E968-L970 HydrophobicContact CG-CD2 4.27Å; L970-Q1012 VanDerWaalsContact C-NE2 3.27Å; L970-Q1012 PolarHBondContact O-NE2 3.37Å; L970-F1043 HydrophobicContact CB-CD1 4.08Å; L970-F1043 HydrophobicContact CD1-CD1 3.86Å; L970-F1043 HydrophobicContact CD1-CE1 3.66Å; L970-F1043 HydrophobicContact CG-CD1 4.46Å; L970-F1043 PolarHBondContact N-O 3.21Å; L970-V1045 HydrophobicContact CD1-CG1 3.73Å; L970-V1045 HydrophobicContact CG-CG1 4.29Å
971	E	90.7	Very high	86.6	Confident	103 Å²	103	50.4 Å²	50.4	48%	0.481	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.9	170.3	-65.4	-170.2	-150.5	0	0	109.7	Y943 F1042 F1043	Y943-E971 HydrophobicContact CE2-CB 4.34Å; Y943-E971 PolarHBondContact OH-OE1 3.4Å; Y943-E971 VanDerWaalsContact OH-OE1 3.11Å; Y943-E971 PolarHBondContact OH-OE2 2.75Å; Y943-E971 VanDerWaalsContact OH-OE2 3.11Å; E971-F1042 CarbonylContact O-C 3.54Å; E971-F1042 WeakPolarHBondContact O-CA 3.36Å; E971-F1042 WeakPolarHBondContact O-CB 3.32Å; E971-F1043 HydrophobicContact CB-CB 4.41Å; E971-F1043 PolarHBondContact N-O 2.84Å; E971-F1043 VanDerWaalsContact N-O 3.14Å; E971-F1043 PolarHBondContact O-N 2.8Å
972	F	93.9	Very high	86	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	119.7	179.1	-169	-78.7	0	0	0	109.8	F969 V974 V990 L1008 H1010 K1011 Q1012 F1018 G1041 F1042	F969-F972 HydrophobicContact CB-CB 4.18Å; F969-F972 HydrophobicContact CB-CD2 4.28Å; F969-F972 AromaticContact CD1-CD2 3.72Å; F969-F972 HydrophobicContact CD1-CD2 3.72Å; F969-F972 HydrophobicContact CD1-CE2 4.39Å; F969-F972 HydrophobicContact CD2-CD2 4.16Å; F969-F972 AromaticContact CE1-CD2 3.96Å; F969-F972 HydrophobicContact CE1-CD2 3.96Å; F969-F972 HydrophobicContact CE1-CE2 4.18Å; F969-F972 HydrophobicContact CE2-CD2 4.35Å; F969-F972 HydrophobicContact CE2-CE2 4.36Å; F969-F972 AromaticContact CG-CD2 3.8Å; F969-F972 HydrophobicContact CG-CD2 3.8Å; F969-F972 HydrophobicContact CZ-CD2 4.25Å; F969-F972 HydrophobicContact CZ-CE2 4.14Å; F972-V974 HydrophobicContact CD1-CG2 4.45Å; F972-V974 HydrophobicContact CE1-CB 3.93Å; F972-V974 HydrophobicContact CE1-CG2 3.89Å; F972-V974 HydrophobicContact CE2-CG2 4.25Å; F972-V974 HydrophobicContact CZ-CB 4.12Å; F972-V974 HydrophobicContact CZ-CG2 3.76Å; F972-V990 HydrophobicContact CE2-CB 4.2Å; F972-V990 HydrophobicContact CE2-CG2 3.82Å; F972-V990 HydrophobicContact CZ-CB 4.26Å; F972-V990 HydrophobicContact CZ-CG2 3.96Å; F972-L1008 HydrophobicContact CE1-CB 4.31Å; F972-L1008 HydrophobicContact CE2-CB 4.11Å; F972-L1008 HydrophobicContact CZ-CB 3.6Å; F972-H1010 WeakPolarHBondContact CD1-O 3.3Å; F972-H1010 WeakPolarHBondContact CE1-O 3.23Å; F972-K1011 CarbonylContact O-C 3.58Å; F972-K1011 WeakPolarHBondContact O-CA 3.46Å; F972-Q1012 HydrophobicContact CB-CB 3.97Å; F972-Q1012 HydrophobicContact CB-CG 3.76Å; F972-Q1012 PolarHBondContact O-N 3.11Å; F972-F1018 HydrophobicContact CB-CD2 4.16Å; F972-F1018 AromaticContact CD1-CD2 3.89Å; F972-F1018 HydrophobicContact CD1-CD2 3.89Å; F972-F1018 AromaticContact CD1-CE2 3.61Å; F972-F1018 HydrophobicContact CD1-CE2 3.61Å; F972-F1018 HydrophobicContact CD2-CD2 4.23Å; F972-F1018 HydrophobicContact CE1-CD2 4.35Å; F972-F1018 AromaticContact CE1-CE2 3.93Å; F972-F1018 HydrophobicContact CE1-CE2 3.93Å; F972-F1018 AromaticContact CG-CD2 3.84Å; F972-F1018 HydrophobicContact CG-CD2 3.84Å; F972-F1018 HydrophobicContact CG-CE2 4.05Å; F972-G1041 CarbonylContact C-O 3.53Å; F972-G1041 WeakPolarHBondContact CA-O 3.39Å; F972-F1042 HydrophobicContact CB-CB 4.39Å; F972-F1042 HydrophobicContact CD2-CB 3.68Å; F972-F1042 HydrophobicContact CD2-CD1 4.47Å; F972-F1042 HydrophobicContact CD2-CG 4.31Å; F972-F1042 HydrophobicContact CE2-CB 4.33Å; F972-F1042 HydrophobicContact CE2-CD1 4.29Å; F972-F1042 HydrophobicContact CG-CB 4.28Å
973	D	90.1	Very high	84.8	Confident	16 Å²	16	50.7 Å²	50.7	9%	0.086	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	89.1	179.9	-167.4	16.8	0	0	0	109.1	K1011 R1039 T1040 G1041	D973-K1011 HydrophobicContact CB-CB 4.46Å; D973-K1011 HydrophobicContact CB-CG 4.19Å; D973-K1011 WeakPolarHBondContact OD1-CB 3.3Å; D973-R1039 VanDerWaalsContact CG-CD 3.45Å; D973-R1039 WeakPolarHBondContact O-CB 3.29Å; D973-R1039 WeakPolarHBondContact OD1-CD 3.42Å; D973-R1039 IonicContact OD1-CZ 2.62Å; D973-R1039 IonicContact OD1-NE 3.63Å; D973-R1039 IonicContact OD1-NH1 3.94Å; D973-R1039 PolarHBondContact OD1-NH1 3.32Å; D973-R1039 IonicContact OD2-NH1 2.73Å; D973-T1040 WeakPolarHBondContact CB-OG1 3.26Å; D973-G1041 PolarHBondContact N-O 3.08Å; D973-G1041 VanDerWaalsContact O-CA 3.31Å; D973-G1041 WeakPolarHBondContact O-CA 3Å; D973-G1041 PolarHBondContact O-N 2.72Å
974	V	91.3	Very high	83.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.			trans	-118.9	130.2	-178.5	174	0	0	0	0	108.7	F972 D988 V990 H1010 F1031 F1042	F972-V974 HydrophobicContact CD1-CG2 4.45Å; F972-V974 HydrophobicContact CE1-CB 3.93Å; F972-V974 HydrophobicContact CE1-CG2 3.89Å; F972-V974 HydrophobicContact CE2-CG2 4.25Å; F972-V974 HydrophobicContact CZ-CB 4.12Å; F972-V974 HydrophobicContact CZ-CG2 3.76Å; V974-D988 HydrophobicContact CG1-CB 3.54Å; V974-V990 HydrophobicContact CG2-CG2 4.36Å; V974-H1010 WeakPolarHBondContact O-CA 3.28Å; V974-H1010 PolarHBondContact O-N 2.72Å; V974-F1031 HydrophobicContact CG1-CE2 3.93Å; V974-F1031 HydrophobicContact CG2-CE2 4.12Å; V974-F1042 HydrophobicContact CG2-CD1 4.12Å
975	E	84.7	Confident	82	Confident	41 Å²	41	51.7 Å²	51.7	19%	0.192	28%	0.278	C	S	.	.			trans	-75.6	134.9	-175.7	-176.2	63.5	-168.6	0	0	112.9	Y947 D988 Y1037 R1039	Y947-E975 PolarHBondContact OH-N 2.57Å; E975-D988 CarbonylContact O-C 3.57Å; E975-D988 WeakPolarHBondContact O-CA 3.5Å; E975-D988 WeakPolarHBondContact O-CB 3.3Å; E975-D988 PolarHBondContact O-N 2.64Å; E975-D988 VanDerWaalsContact O-O 3.09Å; E975-Y1037 HydrophobicContact CG-CG 4.42Å; E975-R1039 HydrophobicContact CB-CG 4.14Å; E975-R1039 IonicContact OE2-CZ 2.7Å; E975-R1039 IonicContact OE2-NE 3.94Å; E975-R1039 PolarHBondContact OE2-NE 3.39Å; E975-R1039 IonicContact OE2-NH2 2.68Å; E975-R1039 PolarHBondContact OE2-NH2 3.32Å
976	S	82	Confident	80.3	Confident	8 Å²	8	56.2 Å²	56.2	6%	0.056	30%	0.301	C	S	.	.			trans	-155.6	139.3	169.4	160.6	0	0	0	0	109.3	S978 D987 C1009 H1010	S976-S978 PolarHBondContact OG-N 3.08Å; S976-S978 PolarHBondContact OG-O 2.9Å; S976-D987 WeakPolarHBondContact OG-CB 3.07Å; S976-D987 PolarHBondContact OG-OD2 3.06Å; S976-C1009 WeakPolarHBondContact CB-SG 3.04Å; S976-C1009 PolarHBondContact OG-SG 3.01Å; S976-C1009 VanDerWaalsContact OG-SG 3.4Å; S976-H1010 PolarHBondContact O-CE1 3.32Å
977	T	72.6	Confident	79.4	Confident	84 Å²	84	55.5 Å²	55.5	52%	0.515	30%	0.297	S	S	.	.	S	Bend	trans	-80.5	-29.5	173.6	66.8	0	0	0	0	111.5	D987	T977-D987 WeakPolarHBondContact CA-OD1 3.35Å; T977-D987 WeakPolarHBondContact CB-OD1 3.5Å; T977-D987 PolarHBondContact N-OD1 3.42Å; T977-D987 PolarHBondContact OG1-OD1 2.79Å
978	S	75.3	Confident	79	Confident	23 Å²	23	55.4 Å²	55.4	16%	0.161	30%	0.296	C	S	.	.	S	Bend	trans	-79.8	123.8	174.5	-174.6	0	0	0	0	112.2	S976 T980 C981 D987 H1010	S976-S978 PolarHBondContact OG-N 3.08Å; S976-S978 PolarHBondContact OG-O 2.9Å; S978-T980 PolarHBondContact O-N 2.77Å; S978-T980 PolarHBondContact OG-N 3.4Å; S978-T980 VanDerWaalsContact OG-N 3.16Å; S978-T980 PolarHBondContact OG-OG1 3.39Å; S978-C981 PolarHBondContact O-N 2.83Å; S978-C981 PolarHBondContact OG-N 2.86Å; S978-D987 WeakPolarHBondContact CA-OD2 2.95Å; S978-D987 WeakPolarHBondContact CB-OD2 3.48Å; S978-D987 PolarHBondContact N-OD1 3Å; S978-D987 PolarHBondContact N-OD2 2.79Å; S978-H1010 PolarHBondContact O-CE1 3.19Å
979	K	72	Confident	78.9	Confident	197 Å²	197	53 Å²	53	86%	0.857	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.2	168.6	-66.6	-178.3	-179.3	176.6	0	113.4
980	T	73.2	Confident	78.9	Confident	101 Å²	101	53 Å²	53	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	4.9	-178.3	49	0	0	0	0	113.8	S978 S982	S978-T980 PolarHBondContact O-N 2.77Å; S978-T980 PolarHBondContact OG-N 3.4Å; S978-T980 VanDerWaalsContact OG-N 3.16Å; S978-T980 PolarHBondContact OG-OG1 3.39Å; T980-S982 PolarHBondContact O-N 2.85Å; T980-S982 VanDerWaalsContact O-N 3.07Å; T980-S982 PolarHBondContact OG1-OG 3.13Å
981	C	80.9	Confident	78.9	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.074	27%	0.267	C	S	.	.	S	Bend	trans	54.3	24.1	-177.4	-37.7	0	0	0	0	113.8	S978 N989 R1007 C1009	S978-C981 PolarHBondContact O-N 2.83Å; S978-C981 PolarHBondContact OG-N 2.86Å; C981-N989 HydrophobicContact CB-CB 4.37Å; C981-R1007 HydrophobicContact CB-CB 3.78Å; C981-R1007 WeakPolarHBondContact O-CD 3.36Å; C981-R1007 PolarHBondContact O-NH1 3.17Å; C981-C1009 VanDerWaalsContact CA-SG 3.5Å; C981-C1009 HydrophobicContact CB-CB 3.79Å; C981-C1009 WeakPolarHBondContact CB-SG 3.06Å; C981-C1009 WeakPolarHBondContact SG-CB 3.36Å; C981-C1009 PolarHBondContact SG-N 3.49Å; C981-C1009 CovalentContact SG-SG 2.01Å; C981-C1009 PolarHBondContact SG-SG 3.2Å
982	S	69.7	Low	78.9	Confident	68 Å²	68	44.8 Å²	44.8	48%	0.476	25%	0.245	S	C	.	.			trans	-100.8	-6.8	-166.3	57.9	0	0	0	0	114.1	T980 D984 R1007	T980-S982 PolarHBondContact O-N 2.85Å; T980-S982 VanDerWaalsContact O-N 3.07Å; T980-S982 PolarHBondContact OG1-OG 3.13Å; S982-D984 PolarHBondContact O-N 2.82Å; S982-R1007 PolarHBondContact O-NH1 3.26Å
983	D	63	Low	78.6	Confident	63 Å²	63	45.7 Å²	45.7	34%	0.337	25%	0.252	S	S	.	.			trans	-84.2	109.9	-179.3	-163.9	-31.4	0	0	0	110.3	T985 D987	D983-T985 PolarHBondContact O-N 2.68Å; D983-T985 PolarHBondContact OD1-N 2.04Å; D983-T985 PolarHBondContact OD1-OG1 3.5Å; D983-D987 WeakPolarHBondContact O-CB 3.47Å
984	D	61	Low	78.3	Confident	123 Å²	123	45.5 Å²	45.5	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-14.6	-179.8	-66.4	-24.1	0	0	0	113.1	S982 R1007	S982-D984 PolarHBondContact O-N 2.82Å; D984-R1007 IonicContact OD1-CZ 3.8Å; D984-R1007 IonicContact OD1-NH1 3.69Å; D984-R1007 PolarHBondContact OD1-NH1 2.89Å; D984-R1007 IonicContact OD1-NH2 3.1Å; D984-R1007 PolarHBondContact OD1-NH2 3.49Å
985	T	59.4	Low	78	Confident	81 Å²	81	46.9 Å²	46.9	50%	0.497	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-28.8	-170.5	65.8	0	0	0	0	114.3	D983	D983-T985 PolarHBondContact O-N 2.68Å; D983-T985 PolarHBondContact OD1-N 2.04Å; D983-T985 PolarHBondContact OD1-OG1 3.5Å
986	M	59.7	Low	77.8	Confident	95 Å²	95	51.7 Å²	51.7	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-1.2	-172.3	-70.2	-159.6	172.7	0	0	115.4	N1034 M1036	M986-N1034 PolarHBondContact O-ND2 2.75Å; M986-M1036 HydrophobicContact CG-CE 4.33Å; M986-M1036 HydrophobicContact SD-CE 4.22Å
987	D	73.4	Confident	76.9	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.037	30%	0.304	C	S	.	.			trans	-118.7	136.4	-171.5	-67.6	-20.8	0	0	0	115	S976 T977 S978 D983 N989	S976-D987 WeakPolarHBondContact OG-CB 3.07Å; S976-D987 PolarHBondContact OG-OD2 3.06Å; T977-D987 WeakPolarHBondContact CA-OD1 3.35Å; T977-D987 WeakPolarHBondContact CB-OD1 3.5Å; T977-D987 PolarHBondContact N-OD1 3.42Å; T977-D987 PolarHBondContact OG1-OD1 2.79Å; S978-D987 WeakPolarHBondContact CA-OD2 2.95Å; S978-D987 WeakPolarHBondContact CB-OD2 3.48Å; S978-D987 PolarHBondContact N-OD1 3Å; S978-D987 PolarHBondContact N-OD2 2.79Å; D983-D987 WeakPolarHBondContact O-CB 3.47Å; D987-N989 PolarHBondContact O-ND2 3.04Å
988	D	87.8	Confident	76.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.309	C	S	.	.			trans	-76.9	136.8	165.1	-47.8	-22.3	0	0	0	108.6	Y947 V974 E975 F1032 S1033 N1034	Y947-D988 WeakPolarHBondContact CE2-OD2 3.35Å; Y947-D988 PolarHBondContact OH-OD2 2.89Å; V974-D988 HydrophobicContact CG1-CB 3.54Å; E975-D988 CarbonylContact O-C 3.57Å; E975-D988 WeakPolarHBondContact O-CA 3.5Å; E975-D988 WeakPolarHBondContact O-CB 3.3Å; E975-D988 PolarHBondContact O-N 2.64Å; E975-D988 VanDerWaalsContact O-O 3.09Å; D988-F1032 CarbonylContact C-O 3.46Å; D988-F1032 WeakPolarHBondContact CA-O 3.49Å; D988-F1032 VanDerWaalsContact CB-O 3.32Å; D988-F1032 WeakPolarHBondContact CB-O 3.31Å; D988-S1033 VanDerWaalsContact OD1-CA 3.32Å; D988-S1033 WeakPolarHBondContact OD1-CA 3.48Å; D988-N1034 WeakPolarHBondContact OD1-CB 3.44Å; D988-N1034 PolarHBondContact OD1-N 3.49Å; D988-N1034 PolarHBondContact OD1-ND2 2.02Å; D988-N1034 PolarHBondContact OD1-OD1 3.18Å
989	N	91.4	Very high	74.9	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.027	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.3	-179.2	66.3	75.7	0	0	0	111.8	C981 D987 L1008 F1032	C981-N989 HydrophobicContact CB-CB 4.37Å; D987-N989 PolarHBondContact O-ND2 3.04Å; N989-L1008 WeakPolarHBondContact CA-O 3.46Å; N989-F1032 PolarHBondContact N-O 2.91Å; N989-F1032 PolarHBondContact O-N 3.41Å; N989-F1032 WeakPolarHBondContact OD1-CD2 3.44Å
990	V	93	Very high	73.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.7	167.8	176.2	0	0	0	0	107.8	F969 F972 V974 R1007 L1008 L1029 K1030 F1031 F1042	F969-V990 HydrophobicContact CZ-CG1 4.3Å; F972-V990 HydrophobicContact CE2-CB 4.2Å; F972-V990 HydrophobicContact CE2-CG2 3.82Å; F972-V990 HydrophobicContact CZ-CB 4.26Å; F972-V990 HydrophobicContact CZ-CG2 3.96Å; V974-V990 HydrophobicContact CG2-CG2 4.36Å; V990-R1007 CarbonylContact O-C 3.52Å; V990-R1007 WeakPolarHBondContact O-CA 3.21Å; V990-L1008 HydrophobicContact CB-CB 4.33Å; V990-L1008 PolarHBondContact N-O 3.42Å; V990-L1008 PolarHBondContact O-N 3.42Å; V990-L1029 HydrophobicContact CG1-CD1 4.14Å; V990-L1029 HydrophobicContact CG1-CD2 3.66Å; V990-L1029 HydrophobicContact CG1-CG 3.69Å; V990-K1030 CarbonylContact C-O 3.6Å; V990-K1030 WeakPolarHBondContact CA-O 3.39Å; V990-F1031 HydrophobicContact CG2-CB 4.45Å; V990-F1031 HydrophobicContact CG2-CD2 3.79Å; V990-F1042 HydrophobicContact CG2-CD1 3.84Å; V990-F1042 HydrophobicContact CG2-CE1 3.51Å; V990-F1042 HydrophobicContact CG2-CZ 4.37Å
991	E	91.3	Very high	72.5	Confident	9 Å²	9	60.1 Å²	60.1	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	177.7	-173.7	170.4	122.6	0	0	110.7	R1005 R1007 L1029 K1030 F1032	E991-R1005 HydrophobicContact CG-CB 4.14Å; E991-R1005 VanDerWaalsContact OE1-CD 3.23Å; E991-R1005 WeakPolarHBondContact OE1-CD 3.16Å; E991-R1005 IonicContact OE1-CZ 3.04Å; E991-R1005 IonicContact OE1-NE 2.59Å; E991-R1005 IonicContact OE1-NH1 3.08Å; E991-R1005 PolarHBondContact OE1-NH1 3.11Å; E991-R1005 IonicContact OE2-NH1 3.81Å; E991-R1007 HydrophobicContact CB-CG 4.34Å; E991-R1007 HydrophobicContact CG-CG 4.32Å; E991-R1007 IonicContact OE2-CZ 3.05Å; E991-R1007 IonicContact OE2-NE 3.65Å; E991-R1007 PolarHBondContact OE2-NE 3.44Å; E991-R1007 IonicContact OE2-NH2 3.42Å; E991-R1007 PolarHBondContact OE2-NH2 3.02Å; E991-L1029 CarbonylContact O-C 3.58Å; E991-L1029 WeakPolarHBondContact O-CA 3.44Å; E991-K1030 PolarHBondContact N-O 3.45Å; E991-K1030 PolarHBondContact O-N 3.04Å; E991-F1032 HydrophobicContact CB-CD2 4.42Å; E991-F1032 HydrophobicContact CB-CE2 3.96Å
992	I	90.7	Very high	70.7	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.5	-179.9	-56.3	158.1	0	0	0	108.4	R1006 L1008 I1020 W1022 L1027	I992-R1006 HydrophobicContact CB-CB 4.45Å; I992-R1006 HydrophobicContact CD1-CB 4.48Å; I992-R1006 HydrophobicContact CD1-CG 4.43Å; I992-R1006 PolarHBondContact N-O 2.64Å; I992-R1006 PolarHBondContact O-N 2.89Å; I992-L1008 HydrophobicContact CD1-CD1 3.88Å; I992-L1008 HydrophobicContact CD1-CG 4.3Å; I992-I1020 HydrophobicContact CD1-CD1 3.29Å; I992-I1020 HydrophobicContact CD1-CG1 3.86Å; I992-I1020 HydrophobicContact CG1-CD1 4.39Å; I992-W1022 HydrophobicContact CG2-CE3 4.19Å; I992-W1022 HydrophobicContact CG2-CZ3 4.16Å; I992-L1027 HydrophobicContact CG2-CD1 3.32Å; I992-L1027 HydrophobicContact CG2-CG 4.47Å
993	S	88.5	Confident	69.6	Low	24 Å²	24	65.8 Å²	65.8	17%	0.168	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.9	-174.3	60.9	0	0	0	0	112.3	N1028	S993-N1028 PolarHBondContact N-O 3.31Å; S993-N1028 PolarHBondContact O-N 2.81Å; S993-N1028 WeakPolarHBondContact OG-CB 3.11Å; S993-N1028 PolarHBondContact OG-O 3.06Å
994	S	83.8	Confident	69.1	Low	12 Å²	12	68.7 Å²	68.7	8%	0.084	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.3	169.3	-170.1	0	0	0	0	111.1	Y996 W1022 Q1024	S994-Y996 PolarHBondContact O-N 3Å; S994-Y996 PolarHBondContact OG-N 3.48Å; S994-Y996 PolarHBondContact OG-O 3.44Å; S994-W1022 VanDerWaalsContact CA-CZ2 3.46Å; S994-Q1024 VanDerWaalsContact CB-OE1 3.23Å; S994-Q1024 PolarHBondContact OG-OE1 3.25Å
995	C	84.9	Confident	69.2	Low	29 Å²	29	70.8 Å²	70.8	20%	0.196	39%	0.388	C	S	.	.	S	Bend	trans	-69.5	-17	162.9	-51.9	0	0	0	0	112.9	C1026 L1027 N1028	C995-C1026 HydrophobicContact CB-CB 3.53Å; C995-C1026 WeakPolarHBondContact CB-SG 3.23Å; C995-C1026 WeakPolarHBondContact SG-CB 3.41Å; C995-C1026 CovalentContact SG-SG 2.02Å; C995-C1026 PolarHBondContact SG-SG 2.83Å; C995-L1027 PolarHBondContact SG-N 2.91Å; C995-L1027 VanDerWaalsContact SG-N 3.43Å; C995-N1028 PolarHBondContact SG-OD1 3.08Å; C995-N1028 VanDerWaalsContact SG-OD1 3.42Å
996	Y	81	Confident	70.1	Confident	141 Å²	141	73.2 Å²	73.2	55%	0.553	39%	0.388	S	S	*	.	S	Bend	trans	-125.5	73.2	-178.3	-46.4	-71.5	0	0	0	109.3	S994 T998 P1025 C1026	S994-Y996 PolarHBondContact O-N 3Å; S994-Y996 PolarHBondContact OG-N 3.48Å; S994-Y996 PolarHBondContact OG-O 3.44Å; Y996-T998 PolarHBondContact O-N 3.36Å; Y996-P1025 HydrophobicContact CE2-CG 4.47Å; Y996-C1026 HydrophobicContact CD2-CB 4.44Å; Y996-C1026 HydrophobicContact CE2-CB 3.74Å
997	P	62.5	Low	71.4	Confident	92 Å²	92	71.5 Å²	71.5	60%	0.597	38%	0.377	S	S	*	.			trans	-56.1	128.8	172.4	25	-32	0	0	0	109.1
998	T	54.9	Low	72.2	Confident	101 Å²	101	71.6 Å²	71.6	62%	0.62	38%	0.377	S	S	*	.			trans	-107.3	110.1	173.8	-42.7	0	0	0	0	107.5	Y996 L1000 L1001	Y996-T998 PolarHBondContact O-N 3.36Å; T998-L1000 VanDerWaalsContact C-N 3.25Å; T998-L1000 PolarHBondContact O-N 3.37Å; T998-L1000 VanDerWaalsContact O-N 3.08Å; T998-L1001 PolarHBondContact O-N 3.33Å
999	D	51.9	Low	72.3	Confident	93 Å²	93	72 Å²	72	50%	0.497	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.1	-160.2	-65.4	-38.2	0	0	0	116.7	L114 L1001	L114-D999 HydrophobicContact CD1-CB 3.43Å; L114-D999 VanDerWaalsContact CD1-CB 3.43Å; L114-D999 HydrophobicContact CD2-CB 3.92Å; L114-D999 HydrophobicContact CG-CB 4.25Å; D999-L1001 VanDerWaalsContact C-N 3.31Å; D999-L1001 PolarHBondContact O-N 3.03Å
1000	L	50	Low	72.1	Confident	168 Å²	168	75.2 Å²	75.2	88%	0.88	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.5	-177.8	-79.6	161	0	0	0	114.2	T998	T998-L1000 VanDerWaalsContact C-N 3.25Å; T998-L1000 PolarHBondContact O-N 3.37Å; T998-L1000 VanDerWaalsContact O-N 3.08Å
1001	L	44	Very low	71.7	Confident	137 Å²	137	82.1 Å²	82.1	72%	0.717	42%	0.424	S	S	*	.	S	Bend	trans	-137.5	110.7	172.8	-67.5	166.4	0	0	0	105.4	T998 D999 T1003	T998-L1001 PolarHBondContact O-N 3.33Å; D999-L1001 VanDerWaalsContact C-N 3.31Å; D999-L1001 PolarHBondContact O-N 3.03Å; L1001-T1003 PolarHBondContact O-N 2.92Å
1002	S	42.9	Very low	71.3	Confident	116 Å²	116	82.5 Å²	82.5	81%	0.811	43%	0.426	S	S	*	.			trans	-56.8	88.3	165.6	49	0	0	0	0	107.9	P1004	S1002-P1004 VanDerWaalsContact O-CD 3.28Å; S1002-P1004 WeakPolarHBondContact O-CD 3.37Å
1003	T	46.8	Very low	70.8	Confident	82 Å²	82	86.8 Å²	86.8	50%	0.503	45%	0.449	S	S	.	.			trans	-59.3	117.6	173.4	53.9	0	0	0	0	104.6	L1001 R1005	L1001-T1003 PolarHBondContact O-N 2.92Å; T1003-R1005 PolarHBondContact O-N 3.4Å
1004	P	51.8	Low	70.1	Confident	124 Å²	124	91.3 Å²	91.3	81%	0.805	48%	0.478	S	S	*	.			trans	-56.7	118.4	-172.2	19.5	-30.9	0	0	0	108.4	S1002 R1006	S1002-P1004 VanDerWaalsContact O-CD 3.28Å; S1002-P1004 WeakPolarHBondContact O-CD 3.37Å; P1004-R1006 PolarHBondContact O-N 3.08Å; P1004-R1006 VanDerWaalsContact O-N 3.1Å
1005	R	64.5	Low	69.7	Low	167 Å²	167	96.9 Å²	96.9	63%	0.63	51%	0.511	S	S	*	.			trans	-58.9	115.4	171.7	-72.6	170.2	175.1	-157.5	17	106.7	E991 T1003 R1007	E991-R1005 HydrophobicContact CG-CB 4.14Å; E991-R1005 VanDerWaalsContact OE1-CD 3.23Å; E991-R1005 WeakPolarHBondContact OE1-CD 3.16Å; E991-R1005 IonicContact OE1-CZ 3.04Å; E991-R1005 IonicContact OE1-NE 2.59Å; E991-R1005 IonicContact OE1-NH1 3.08Å; E991-R1005 PolarHBondContact OE1-NH1 3.11Å; E991-R1005 IonicContact OE2-NH1 3.81Å; T1003-R1005 PolarHBondContact O-N 3.4Å; R1005-R1007 PolarHBondContact O-N 3.07Å
1006	R	78.4	Confident	69.5	Low	131 Å²	131	101.3 Å²	101.3	49%	0.494	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.9	179.2	-176.3	174	179	151.1	-3	107.7	I992 P1004 L1008	I992-R1006 HydrophobicContact CB-CB 4.45Å; I992-R1006 HydrophobicContact CD1-CB 4.48Å; I992-R1006 HydrophobicContact CD1-CG 4.43Å; I992-R1006 PolarHBondContact N-O 2.64Å; I992-R1006 PolarHBondContact O-N 2.89Å; P1004-R1006 PolarHBondContact O-N 3.08Å; P1004-R1006 VanDerWaalsContact O-N 3.1Å; R1006-L1008 HydrophobicContact CG-CD2 4.49Å
1007	R	86.9	Confident	69.6	Low	60 Å²	60	95.9 Å²	95.9	23%	0.226	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.9	172.8	-65	-174.2	178.9	174.2	-1.6	110.3	C981 S982 D984 V990 E991 R1005	C981-R1007 HydrophobicContact CB-CB 3.78Å; C981-R1007 WeakPolarHBondContact O-CD 3.36Å; C981-R1007 PolarHBondContact O-NH1 3.17Å; S982-R1007 PolarHBondContact O-NH1 3.26Å; D984-R1007 IonicContact OD1-CZ 3.8Å; D984-R1007 IonicContact OD1-NH1 3.69Å; D984-R1007 PolarHBondContact OD1-NH1 2.89Å; D984-R1007 IonicContact OD1-NH2 3.1Å; D984-R1007 PolarHBondContact OD1-NH2 3.49Å; V990-R1007 CarbonylContact O-C 3.52Å; V990-R1007 WeakPolarHBondContact O-CA 3.21Å; E991-R1007 HydrophobicContact CB-CG 4.34Å; E991-R1007 HydrophobicContact CG-CG 4.32Å; E991-R1007 IonicContact OE2-CZ 3.05Å; E991-R1007 IonicContact OE2-NE 3.65Å; E991-R1007 PolarHBondContact OE2-NE 3.44Å; E991-R1007 IonicContact OE2-NH2 3.42Å; E991-R1007 PolarHBondContact OE2-NH2 3.02Å; R1005-R1007 PolarHBondContact O-N 3.07Å
1008	L	90	Very high	70.8	Confident	9 Å²	9	94 Å²	94	5%	0.047	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.4	175.4	-59.2	175.7	0	0	0	109.1	F969 F972 N989 V990 I992 R1006 F1018 I1020	F969-L1008 HydrophobicContact CD2-CD1 4.35Å; F969-L1008 HydrophobicContact CE2-CD1 3.72Å; F972-L1008 HydrophobicContact CE1-CB 4.31Å; F972-L1008 HydrophobicContact CE2-CB 4.11Å; F972-L1008 HydrophobicContact CZ-CB 3.6Å; N989-L1008 WeakPolarHBondContact CA-O 3.46Å; V990-L1008 HydrophobicContact CB-CB 4.33Å; V990-L1008 PolarHBondContact N-O 3.42Å; V990-L1008 PolarHBondContact O-N 3.42Å; I992-L1008 HydrophobicContact CD1-CD1 3.88Å; I992-L1008 HydrophobicContact CD1-CG 4.3Å; R1006-L1008 HydrophobicContact CG-CD2 4.49Å; L1008-F1018 HydrophobicContact CD1-CB 4.36Å; L1008-F1018 HydrophobicContact CD1-CG 4.37Å; L1008-F1018 HydrophobicContact CD2-CD1 4.11Å; L1008-F1018 HydrophobicContact CD2-CE1 4.2Å; L1008-F1018 HydrophobicContact CD2-CG 4.42Å; L1008-I1020 HydrophobicContact CD1-CD1 4.06Å
1009	C	89.6	Confident	72.5	Confident	7 Å²	7	95.9 Å²	95.9	5%	0.047	49%	0.493	C	S	.	.			trans	-157.9	178.6	176.6	66	0	0	0	0	108.4	S976 C981	S976-C1009 WeakPolarHBondContact CB-SG 3.04Å; S976-C1009 PolarHBondContact OG-SG 3.01Å; S976-C1009 VanDerWaalsContact OG-SG 3.4Å; C981-C1009 VanDerWaalsContact CA-SG 3.5Å; C981-C1009 HydrophobicContact CB-CB 3.79Å; C981-C1009 WeakPolarHBondContact CB-SG 3.06Å; C981-C1009 WeakPolarHBondContact SG-CB 3.36Å; C981-C1009 PolarHBondContact SG-N 3.49Å; C981-C1009 CovalentContact SG-SG 2.01Å; C981-C1009 PolarHBondContact SG-SG 3.2Å
1010	H	86.3	Confident	74.4	Confident	74 Å²	74	92 Å²	92	34%	0.343	47%	0.472	S	S	.	.	S	Bend	trans	67.7	162	-175.1	-57.5	40.9	0	0	0	113.8	F972 V974 S976 S978 Q1012	F972-H1010 WeakPolarHBondContact CD1-O 3.3Å; F972-H1010 WeakPolarHBondContact CE1-O 3.23Å; V974-H1010 WeakPolarHBondContact O-CA 3.28Å; V974-H1010 PolarHBondContact O-N 2.72Å; S976-H1010 PolarHBondContact O-CE1 3.32Å; S978-H1010 PolarHBondContact O-CE1 3.19Å; H1010-Q1012 PolarHBondContact O-N 3Å
1011	K	84.5	Confident	76.3	Confident	145 Å²	145	88.8 Å²	88.8	63%	0.63	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-64.8	126	174.8	-166.6	166.1	-177.1	163.5	0	111.2	F972 D973	F972-K1011 CarbonylContact O-C 3.58Å; F972-K1011 WeakPolarHBondContact O-CA 3.46Å; D973-K1011 HydrophobicContact CB-CB 4.46Å; D973-K1011 HydrophobicContact CB-CG 4.19Å; D973-K1011 WeakPolarHBondContact OD1-CB 3.3Å
1012	Q	84.4	Confident	78.6	Confident	16 Å²	16	84.4 Å²	84.4	8%	0.075	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-68.6	150.8	175.1	73.5	177.6	12.3	0	0	111.7	F969 L970 F972 H1010 P1014 F1018	F969-Q1012 PolarHBondContact O-NE2 3.32Å; F969-Q1012 PolarHBondContact O-OE1 2.88Å; L970-Q1012 VanDerWaalsContact C-NE2 3.27Å; L970-Q1012 PolarHBondContact O-NE2 3.37Å; F972-Q1012 HydrophobicContact CB-CB 3.97Å; F972-Q1012 HydrophobicContact CB-CG 3.76Å; F972-Q1012 PolarHBondContact O-N 3.11Å; H1010-Q1012 PolarHBondContact O-N 3Å; Q1012-P1014 WeakPolarHBondContact O-CD 3.29Å; Q1012-F1018 HydrophobicContact CB-CD2 3.76Å; Q1012-F1018 HydrophobicContact CB-CE2 3.63Å; Q1012-F1018 HydrophobicContact CB-CZ 4.38Å
1013	N	78.9	Confident	80.8	Confident	95 Å²	95	85 Å²	85	51%	0.508	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-75.7	124.7	171.2	-175.4	-18.7	0	0	0	109.2	V1015 N1016	N1013-V1015 PolarHBondContact O-N 2.75Å; N1013-V1015 WeakPolarHBondContact OD1-CB 3.38Å; N1013-V1015 PolarHBondContact OD1-N 3.01Å; N1013-N1016 CarbonylContact O-C 3.53Å; N1013-N1016 VanDerWaalsContact O-C 3.25Å; N1013-N1016 PolarHBondContact O-N 3.15Å
1014	P	74.9	Confident	82.7	Confident	118 Å²	118	84.2 Å²	84.2	77%	0.766	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.3	177.5	-25.3	33.5	0	0	0	114.4	Q1012	Q1012-P1014 WeakPolarHBondContact O-CD 3.29Å
1015	V	75.6	Confident	84.5	Confident	129 Å²	129	80.9 Å²	80.9	78%	0.782	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-24.6	179.3	-175.4	0	0	0	0	112.4	N1013	N1013-V1015 PolarHBondContact O-N 2.75Å; N1013-V1015 WeakPolarHBondContact OD1-CB 3.38Å; N1013-V1015 PolarHBondContact OD1-N 3.01Å
1016	N	80.5	Confident	85.9	Confident	123 Å²	123	73 Å²	73	66%	0.658	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-137.4	78.8	-176.7	-171.9	26.8	0	0	0	110.3	N1013	N1013-N1016 CarbonylContact O-C 3.53Å; N1013-N1016 VanDerWaalsContact O-C 3.25Å; N1013-N1016 PolarHBondContact O-N 3.15Å
1017	P	82.3	Confident	86.6	Confident	27 Å²	27	66.9 Å²	66.9	18%	0.175	33%	0.332	C	S	.	.			trans	-66.2	150.7	-179.4	27.6	-34.3	0	0	0	111.4	F969 R1019	F969-P1017 WeakPolarHBondContact O-CB 3.36Å; P1017-R1019 PolarHBondContact O-N 3.08Å
1018	F	88.1	Confident	86.9	Confident	52 Å²	52	65.1 Å²	65.1	23%	0.228	33%	0.328	C	S	.	.			trans	-67.5	119.3	175.4	-67	-55.8	0	0	0	110.5	F969 F972 L1008 Q1012	F969-F1018 HydrophobicContact CB-CB 4.35Å; F969-F1018 HydrophobicContact CD2-CB 3.76Å; F969-F1018 PolarHBondContact N-O 3.43Å; F972-F1018 HydrophobicContact CB-CD2 4.16Å; F972-F1018 AromaticContact CD1-CD2 3.89Å; F972-F1018 HydrophobicContact CD1-CD2 3.89Å; F972-F1018 AromaticContact CD1-CE2 3.61Å; F972-F1018 HydrophobicContact CD1-CE2 3.61Å; F972-F1018 HydrophobicContact CD2-CD2 4.23Å; F972-F1018 HydrophobicContact CE1-CD2 4.35Å; F972-F1018 AromaticContact CE1-CE2 3.93Å; F972-F1018 HydrophobicContact CE1-CE2 3.93Å; F972-F1018 AromaticContact CG-CD2 3.84Å; F972-F1018 HydrophobicContact CG-CD2 3.84Å; F972-F1018 HydrophobicContact CG-CE2 4.05Å; L1008-F1018 HydrophobicContact CD1-CB 4.36Å; L1008-F1018 HydrophobicContact CD1-CG 4.37Å; L1008-F1018 HydrophobicContact CD2-CD1 4.11Å; L1008-F1018 HydrophobicContact CD2-CE1 4.2Å; L1008-F1018 HydrophobicContact CD2-CG 4.42Å; Q1012-F1018 HydrophobicContact CB-CD2 3.76Å; Q1012-F1018 HydrophobicContact CB-CE2 3.63Å; Q1012-F1018 HydrophobicContact CB-CZ 4.38Å
1019	R	89.7	Confident	87.2	Confident	141 Å²	141	64.7 Å²	64.7	53%	0.532	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.4	174.8	-67.2	179.1	179	-176.6	-2.4	110.3	I967 E968 P1017	I967-R1019 WeakPolarHBondContact O-CA 3.38Å; E968-R1019 HydrophobicContact CB-CG 4.29Å; E968-R1019 HydrophobicContact CG-CG 4.04Å; E968-R1019 IonicContact OE1-CZ 3.03Å; E968-R1019 IonicContact OE1-NE 2.99Å; E968-R1019 PolarHBondContact OE1-NE 3.05Å; E968-R1019 IonicContact OE1-NH2 2.6Å; E968-R1019 PolarHBondContact OE1-NH2 2.87Å; E968-R1019 IonicContact OE2-NE 2.65Å; E968-R1019 IonicContact OE2-NH2 3.63Å; P1017-R1019 PolarHBondContact O-N 3.08Å
1020	I	91.4	Very high	87.4	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	-178.9	-59.7	142.5	0	0	0	108	D966 I967 F969 I992 L1008	D966-I1020 CarbonylContact C-O 3.5Å; D966-I1020 WeakPolarHBondContact CA-O 3.44Å; I967-I1020 HydrophobicContact CB-CB 4.21Å; I967-I1020 HydrophobicContact CB-CD1 4.16Å; I967-I1020 HydrophobicContact CG2-CD1 4.16Å; I967-I1020 PolarHBondContact N-O 3.34Å; I967-I1020 PolarHBondContact O-N 2.8Å; F969-I1020 HydrophobicContact CD2-CD1 4.28Å; F969-I1020 HydrophobicContact CE2-CD1 3.59Å; I992-I1020 HydrophobicContact CD1-CD1 3.29Å; I992-I1020 HydrophobicContact CD1-CG1 3.86Å; I992-I1020 HydrophobicContact CG1-CD1 4.39Å; L1008-I1020 HydrophobicContact CD1-CD1 4.06Å
1021	H	91	Very high	87.8	Confident	101 Å²	101	63.8 Å²	63.8	47%	0.468	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.4	173.5	-63.2	-63.9	0	0	0	108.3	D966	D966-H1021 IonicContact OD1-CE1 3.52Å; D966-H1021 IonicContact OD1-CG 3.53Å; D966-H1021 IonicContact OD1-ND1 2.74Å; D966-H1021 PolarHBondContact OD1-ND1 2.94Å; D966-H1021 IonicContact OD2-CE1 3.28Å; D966-H1021 PolarHBondContact OD2-CE1 3.1Å; D966-H1021 IonicContact OD2-ND1 3.08Å; D966-H1021 PolarHBondContact OD2-ND1 2.96Å; D966-H1021 VanDerWaalsContact OD2-ND1 3.1Å
1022	W	92.3	Very high	88.1	Confident	46 Å²	46	59.8 Å²	59.8	17%	0.174	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.7	-175	-171.2	-99.8	0	0	0	111	R964 I965 I992 S994 Q1024 C1026 L1027	R964-W1022 CarbonylContact C-O 3.56Å; R964-W1022 WeakPolarHBondContact CA-O 3.35Å; R964-W1022 WeakPolarHBondContact CG-O 3.5Å; I965-W1022 HydrophobicContact CB-CB 4.28Å; I965-W1022 PolarHBondContact N-O 2.7Å; I965-W1022 WeakPolarHBondContact O-CB 3.24Å; I965-W1022 PolarHBondContact O-N 3.16Å; I992-W1022 HydrophobicContact CG2-CE3 4.19Å; I992-W1022 HydrophobicContact CG2-CZ3 4.16Å; S994-W1022 VanDerWaalsContact CA-CZ2 3.46Å; W1022-Q1024 VanDerWaalsContact C-N 3.34Å; W1022-Q1024 VanDerWaalsContact CZ2-OE1 3.25Å; W1022-Q1024 PolarHBondContact O-N 3.19Å; W1022-C1026 PolarHBondContact NE1-O 3.49Å; W1022-L1027 HydrophobicContact CB-CD1 4.35Å; W1022-L1027 HydrophobicContact CB-CD2 4.16Å; W1022-L1027 HydrophobicContact CD2-CD1 3.47Å; W1022-L1027 VanDerWaalsContact CD2-CD1 3.47Å; W1022-L1027 HydrophobicContact CD2-CG 4.47Å; W1022-L1027 HydrophobicContact CE3-CD1 3.79Å; W1022-L1027 HydrophobicContact CG-CB 4.08Å; W1022-L1027 HydrophobicContact CG-CD1 3.72Å; W1022-L1027 HydrophobicContact CG-CD2 4.29Å; W1022-L1027 HydrophobicContact CG-CG 4.24Å; W1022-L1027 HydrophobicContact CZ2-CD1 4.33Å; W1022-L1027 HydrophobicContact CZ3-CD1 4.32Å
1023	H	89.4	Confident	88.3	Confident	127 Å²	127	59.5 Å²	59.5	59%	0.588	30%	0.302	S	S	*	.			trans	-95	42.3	-171.6	-67.1	-80.9	0	0	0	113.7	R963 R964	R963-H1023 CarbonylContact O-C 3.54Å; R964-H1023 VanDerWaalsContact CD-CE1 3.42Å; R964-H1023 WeakPolarHBondContact CD-CE1 3.47Å
1024	Q	86.9	Confident	88.4	Confident	67 Å²	67	56 Å²	56	31%	0.313	28%	0.284	S	S	.	.	S	Bend	trans	-138.9	156.5	173.9	-61.6	-179.4	-30.6	0	0	109.6	S994 W1022 C1026	S994-Q1024 VanDerWaalsContact CB-OE1 3.23Å; S994-Q1024 PolarHBondContact OG-OE1 3.25Å; W1022-Q1024 VanDerWaalsContact C-N 3.34Å; W1022-Q1024 VanDerWaalsContact CZ2-OE1 3.25Å; W1022-Q1024 PolarHBondContact O-N 3.19Å; Q1024-C1026 PolarHBondContact O-N 3.31Å; Q1024-C1026 VanDerWaalsContact O-N 3.13Å
1025	P	89.7	Confident	88.2	Confident	54 Å²	54	51.7 Å²	51.7	35%	0.351	26%	0.261	S	S	.	.	S	Bend	trans	-71	-5.6	-176.7	28.8	-36.9	0	0	0	114.2	S958 G959 V962 Y996	S958-P1025 WeakPolarHBondContact CA-O 3.42Å; G959-P1025 PolarHBondContact N-O 3.22Å; G959-P1025 VanDerWaalsContact N-O 3.11Å; V962-P1025 HydrophobicContact CB-CB 4.42Å; V962-P1025 WeakPolarHBondContact O-CB 3.42Å; Y996-P1025 HydrophobicContact CE2-CG 4.47Å
1026	C	93	Very high	88	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.9	-179.1	-165.8	0	0	0	0	111.2	F957 S958 C995 Y996 W1022 Q1024	F957-C1026 CarbonylContact O-C 3.47Å; F957-C1026 VanDerWaalsContact O-CA 3.31Å; F957-C1026 WeakPolarHBondContact O-CA 3.38Å; S958-C1026 VanDerWaalsContact CB-SG 3.57Å; C995-C1026 HydrophobicContact CB-CB 3.53Å; C995-C1026 WeakPolarHBondContact CB-SG 3.23Å; C995-C1026 WeakPolarHBondContact SG-CB 3.41Å; C995-C1026 CovalentContact SG-SG 2.02Å; C995-C1026 PolarHBondContact SG-SG 2.83Å; Y996-C1026 HydrophobicContact CD2-CB 4.44Å; Y996-C1026 HydrophobicContact CE2-CB 3.74Å; W1022-C1026 PolarHBondContact NE1-O 3.49Å; Q1024-C1026 PolarHBondContact O-N 3.31Å; Q1024-C1026 VanDerWaalsContact O-N 3.13Å
1027	L	93.5	Very high	87.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.7	-179	173.4	61.8	0	0	0	109.7	R956 F957 I965 I967 I992 C995 W1022	R956-L1027 WeakPolarHBondContact CA-O 3.38Å; F957-L1027 HydrophobicContact CB-CB 4.32Å; F957-L1027 HydrophobicContact CD2-CD2 4.26Å; F957-L1027 HydrophobicContact CD2-CG 4.38Å; F957-L1027 PolarHBondContact N-O 3.17Å; F957-L1027 PolarHBondContact O-N 3.03Å; I965-L1027 HydrophobicContact CD1-CB 3.84Å; I965-L1027 HydrophobicContact CG2-CD2 4.2Å; I967-L1027 HydrophobicContact CD1-CD2 4.27Å; I967-L1027 HydrophobicContact CG1-CD2 3.67Å; I992-L1027 HydrophobicContact CG2-CD1 3.32Å; I992-L1027 HydrophobicContact CG2-CG 4.47Å; C995-L1027 PolarHBondContact SG-N 2.91Å; C995-L1027 VanDerWaalsContact SG-N 3.43Å; W1022-L1027 HydrophobicContact CB-CD1 4.35Å; W1022-L1027 HydrophobicContact CB-CD2 4.16Å; W1022-L1027 HydrophobicContact CD2-CD1 3.47Å; W1022-L1027 VanDerWaalsContact CD2-CD1 3.47Å; W1022-L1027 HydrophobicContact CD2-CG 4.47Å; W1022-L1027 HydrophobicContact CE3-CD1 3.79Å; W1022-L1027 HydrophobicContact CG-CB 4.08Å; W1022-L1027 HydrophobicContact CG-CD1 3.72Å; W1022-L1027 HydrophobicContact CG-CD2 4.29Å; W1022-L1027 HydrophobicContact CG-CG 4.24Å; W1022-L1027 HydrophobicContact CZ2-CD1 4.33Å; W1022-L1027 HydrophobicContact CZ3-CD1 4.32Å
1028	N	93.8	Very high	87.6	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123	170.3	-79.8	-15.6	0	0	0	109.7	R956 S993 C995	R956-N1028 VanDerWaalsContact CG-OD1 3.25Å; R956-N1028 WeakPolarHBondContact CG-OD1 3.41Å; S993-N1028 PolarHBondContact N-O 3.31Å; S993-N1028 PolarHBondContact O-N 2.81Å; S993-N1028 WeakPolarHBondContact OG-CB 3.11Å; S993-N1028 PolarHBondContact OG-O 3.06Å; C995-N1028 PolarHBondContact SG-OD1 3.08Å; C995-N1028 VanDerWaalsContact SG-OD1 3.42Å
1029	L	95.4	Very high	87.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.2	172.3	-177.6	162	0	0	0	107.9	F938 E954 Y955 F957 F969 V990 E991 F1042	F938-L1029 HydrophobicContact CE2-CD1 3.8Å; F938-L1029 HydrophobicContact CZ-CD1 3.99Å; E954-L1029 CarbonylContact C-O 3.54Å; E954-L1029 WeakPolarHBondContact CA-O 3.48Å; Y955-L1029 HydrophobicContact CD2-CD2 3.45Å; Y955-L1029 VanDerWaalsContact CD2-CD2 3.45Å; Y955-L1029 WeakPolarHBondContact CD2-O 2.96Å; Y955-L1029 HydrophobicContact CE2-CD2 4Å; Y955-L1029 HydrophobicContact CG-CD2 4.24Å; Y955-L1029 PolarHBondContact N-O 3.01Å; Y955-L1029 PolarHBondContact O-N 2.77Å; F957-L1029 HydrophobicContact CE2-CB 4.24Å; F969-L1029 HydrophobicContact CZ-CD1 3.93Å; V990-L1029 HydrophobicContact CG1-CD1 4.14Å; V990-L1029 HydrophobicContact CG1-CD2 3.66Å; V990-L1029 HydrophobicContact CG1-CG 3.69Å; E991-L1029 CarbonylContact O-C 3.58Å; E991-L1029 WeakPolarHBondContact O-CA 3.44Å; L1029-F1042 HydrophobicContact CD2-CZ 4.29Å
1030	K	93.6	Very high	87.6	Confident	61 Å²	61	47.9 Å²	47.9	27%	0.265	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.5	178.6	-72.6	-176.2	172	-177.1	0	109.9	C953 E954 V990 E991 F1032	C953-K1030 CarbonylContact O-C 3.51Å; C953-K1030 WeakPolarHBondContact O-CA 3.3Å; E954-K1030 HydrophobicContact CB-CG 4.08Å; E954-K1030 HydrophobicContact CG-CG 3.9Å; E954-K1030 WeakPolarHBondContact OE1-CE 3.08Å; E954-K1030 IonicContact OE1-NZ 2.71Å; E954-K1030 WeakPolarHBondContact OE2-CE 3.45Å; E954-K1030 IonicContact OE2-NZ 2.76Å; V990-K1030 CarbonylContact C-O 3.6Å; V990-K1030 WeakPolarHBondContact CA-O 3.39Å; E991-K1030 PolarHBondContact N-O 3.45Å; E991-K1030 PolarHBondContact O-N 3.04Å; K1030-F1032 HydrophobicContact CB-CD2 4.32Å; K1030-F1032 HydrophobicContact CB-CE2 3.58Å; K1030-F1032 HydrophobicContact CB-CZ 4Å; K1030-F1032 HydrophobicContact CD-CE2 4.45Å; K1030-F1032 HydrophobicContact CD-CZ 4.11Å
1031	F	94.9	Very high	87.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.2	172.1	173.4	-123.4	0	0	0	109.4	Y947 I951 V952 C953 Y955 V974 V990 F1042	Y947-F1031 AromaticContact CD1-CZ 3.95Å; Y947-F1031 HydrophobicContact CD1-CZ 3.95Å; Y947-F1031 HydrophobicContact CD2-CE1 4.1Å; Y947-F1031 AromaticContact CD2-CZ 3.64Å; Y947-F1031 HydrophobicContact CD2-CZ 3.64Å; Y947-F1031 HydrophobicContact CE1-CZ 4.17Å; Y947-F1031 AromaticContact CE2-CZ 3.88Å; Y947-F1031 HydrophobicContact CE2-CZ 3.88Å; Y947-F1031 HydrophobicContact CG-CE1 4.03Å; Y947-F1031 AromaticContact CG-CZ 3.68Å; Y947-F1031 HydrophobicContact CG-CZ 3.68Å; I951-F1031 HydrophobicContact CG2-CD1 4.48Å; I951-F1031 HydrophobicContact CG2-CE1 4.19Å; V952-F1031 CarbonylContact C-O 3.54Å; V952-F1031 VanDerWaalsContact CA-O 3.32Å; V952-F1031 WeakPolarHBondContact CA-O 3.32Å; C953-F1031 HydrophobicContact CB-CB 4.46Å; C953-F1031 PolarHBondContact N-O 2.84Å; C953-F1031 PolarHBondContact O-N 3.14Å; Y955-F1031 HydrophobicContact CE2-CB 4.34Å; V974-F1031 HydrophobicContact CG1-CE2 3.93Å; V974-F1031 HydrophobicContact CG2-CE2 4.12Å; V990-F1031 HydrophobicContact CG2-CB 4.45Å; V990-F1031 HydrophobicContact CG2-CD2 3.79Å; F1031-F1042 HydrophobicContact CB-CE1 4.03Å; F1031-F1042 HydrophobicContact CB-CZ 4.17Å; F1031-F1042 AromaticContact CD2-CE1 3.87Å; F1031-F1042 HydrophobicContact CD2-CE1 3.87Å; F1031-F1042 HydrophobicContact CE2-CE1 4.5Å; F1031-F1042 AromaticContact CG-CE1 3.87Å; F1031-F1042 HydrophobicContact CG-CE1 3.87Å; F1031-F1042 HydrophobicContact CG-CZ 4.4Å
1032	F	90.8	Very high	87.9	Confident	61 Å²	61	42.6 Å²	42.6	27%	0.268	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128	175.2	-63.2	-89	0	0	0	108.8	V952 D988 N989 E991 K1030	V952-F1032 HydrophobicContact CB-CD1 4.42Å; V952-F1032 HydrophobicContact CG1-CD1 3.94Å; V952-F1032 HydrophobicContact CG1-CE1 3.71Å; V952-F1032 HydrophobicContact CG1-CZ 4.32Å; V952-F1032 HydrophobicContact CG2-CD1 3.71Å; V952-F1032 HydrophobicContact CG2-CE1 4.02Å; D988-F1032 CarbonylContact C-O 3.46Å; D988-F1032 WeakPolarHBondContact CA-O 3.49Å; D988-F1032 VanDerWaalsContact CB-O 3.32Å; D988-F1032 WeakPolarHBondContact CB-O 3.31Å; N989-F1032 PolarHBondContact N-O 2.91Å; N989-F1032 PolarHBondContact O-N 3.41Å; N989-F1032 WeakPolarHBondContact OD1-CD2 3.44Å; E991-F1032 HydrophobicContact CB-CD2 4.42Å; E991-F1032 HydrophobicContact CB-CE2 3.96Å; K1030-F1032 HydrophobicContact CB-CD2 4.32Å; K1030-F1032 HydrophobicContact CB-CE2 3.58Å; K1030-F1032 HydrophobicContact CB-CZ 4Å; K1030-F1032 HydrophobicContact CD-CE2 4.45Å; K1030-F1032 HydrophobicContact CD-CZ 4.11Å
1033	S	88.5	Confident	88	Confident	11 Å²	11	42.1 Å²	42.1	8%	0.077	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135	169.1	179.2	0	0	0	0	110.5	Y947 P948 D950 I951 D988	Y947-S1033 WeakPolarHBondContact CE2-OG 3.48Å; P948-S1033 PolarHBondContact O-OG 2.9Å; D950-S1033 VanDerWaalsContact CA-O 3.32Å; D950-S1033 WeakPolarHBondContact CA-O 3.33Å; D950-S1033 PolarHBondContact N-O 2.82Å; I951-S1033 PolarHBondContact N-O 2.77Å; I951-S1033 PolarHBondContact O-N 2.98Å; D988-S1033 VanDerWaalsContact OD1-CA 3.32Å; D988-S1033 WeakPolarHBondContact OD1-CA 3.48Å
1034	N	80.1	Confident	88.2	Confident	21 Å²	21	36.1 Å²	36.1	11%	0.112	18%	0.179	C	C	.	.			trans	-79.7	-179.4	178.7	74.4	24.6	0	0	0	112	I949 D950 M986 D988 M1036 Y1037	I949-N1034 CarbonylContact C-O 3.57Å; I949-N1034 WeakPolarHBondContact CA-O 3.23Å; I949-N1034 WeakPolarHBondContact CB-O 3.47Å; D950-N1034 PolarHBondContact N-O 3.38Å; M986-N1034 PolarHBondContact O-ND2 2.75Å; D988-N1034 WeakPolarHBondContact OD1-CB 3.44Å; D988-N1034 PolarHBondContact OD1-N 3.49Å; D988-N1034 PolarHBondContact OD1-ND2 2.02Å; D988-N1034 PolarHBondContact OD1-OD1 3.18Å; N1034-M1036 PolarHBondContact OD1-N 3.46Å; N1034-Y1037 PolarHBondContact OD1-N 2.88Å; N1034-Y1037 VanDerWaalsContact OD1-N 3.09Å
1035	G	72.7	Confident	88.6	Confident	28 Å²	28	34.7 Å²	34.7	29%	0.289	18%	0.175	S	C	.	.	S	Bend	trans	-89.6	9.4	179.5	0	0	0	0	0	116.1
1036	M	69.5	Low	88.9	Confident	104 Å²	104	32.2 Å²	32.2	51%	0.512	16%	0.159	S	C	.	.	S	Bend	trans	-118.7	-55.5	-167.8	-63.7	-155.6	-66.9	0	0	114.5	M986 N1034	M986-M1036 HydrophobicContact CG-CE 4.33Å; M986-M1036 HydrophobicContact SD-CE 4.22Å; N1034-M1036 PolarHBondContact OD1-N 3.46Å
1037	Y	73.5	Confident	89	Confident	129 Å²	129	36.1 Å²	36.1	51%	0.506	18%	0.177	S	C	.	.			trans	-125.3	146.6	-170.2	-60.3	-70.4	0	0	0	111.1	E975 N1034	E975-Y1037 HydrophobicContact CG-CG 4.42Å; N1034-Y1037 PolarHBondContact OD1-N 2.88Å; N1034-Y1037 VanDerWaalsContact OD1-N 3.09Å
1038	V	82.7	Confident	89.1	Confident	39 Å²	39	36.2 Å²	36.2	24%	0.236	18%	0.177	C	C	.	.			trans	-138.4	152.5	179.1	-64.7	0	0	0	0	111.9	L946 Y947 I949	L946-V1038 HydrophobicContact CB-CG2 4.17Å; L946-V1038 HydrophobicContact CD1-CG2 3.96Å; L946-V1038 HydrophobicContact CD2-CG2 4.49Å; L946-V1038 HydrophobicContact CG-CG2 4.45Å; Y947-V1038 HydrophobicContact CD2-CB 4.06Å; Y947-V1038 HydrophobicContact CD2-CG1 3.91Å; Y947-V1038 HydrophobicContact CE2-CB 3.84Å; Y947-V1038 HydrophobicContact CE2-CG1 3.8Å; Y947-V1038 WeakPolarHBondContact O-CB 3.29Å; Y947-V1038 VanDerWaalsContact O-CG1 3.26Å; Y947-V1038 WeakPolarHBondContact O-CG1 3.25Å; I949-V1038 HydrophobicContact CB-CG1 4.33Å; I949-V1038 HydrophobicContact CG2-CG1 3.29Å
1039	R	88	Confident	89	Confident	87 Å²	87	36.8 Å²	36.8	33%	0.328	18%	0.179	S	C	.	.			trans	-136.9	-171.6	177.3	-70.4	-160.9	-178.5	-139.1	1.1	111.6	L946 Y947 D973 E975 G1041	L946-R1039 CarbonylContact C-O 3.4Å; L946-R1039 VanDerWaalsContact CA-O 3.26Å; L946-R1039 WeakPolarHBondContact CA-O 3.09Å; L946-R1039 VanDerWaalsContact CD2-C 3.42Å; L946-R1039 WeakPolarHBondContact CD2-O 3.48Å; Y947-R1039 WeakPolarHBondContact CD1-O 2.99Å; Y947-R1039 VanDerWaalsContact CE1-C 3.49Å; Y947-R1039 HydrophobicContact CE1-CB 3.7Å; Y947-R1039 VanDerWaalsContact CE1-O 3.27Å; Y947-R1039 WeakPolarHBondContact CE1-O 3.23Å; Y947-R1039 PolarHBondContact N-O 2.99Å; Y947-R1039 PolarHBondContact OH-N 2.63Å; D973-R1039 VanDerWaalsContact CG-CD 3.45Å; D973-R1039 WeakPolarHBondContact O-CB 3.29Å; D973-R1039 WeakPolarHBondContact OD1-CD 3.42Å; D973-R1039 IonicContact OD1-CZ 2.62Å; D973-R1039 IonicContact OD1-NE 3.63Å; D973-R1039 IonicContact OD1-NH1 3.94Å; D973-R1039 PolarHBondContact OD1-NH1 3.32Å; D973-R1039 IonicContact OD2-NH1 2.73Å; E975-R1039 HydrophobicContact CB-CG 4.14Å; E975-R1039 IonicContact OE2-CZ 2.7Å; E975-R1039 IonicContact OE2-NE 3.94Å; E975-R1039 PolarHBondContact OE2-NE 3.39Å; E975-R1039 IonicContact OE2-NH2 2.68Å; E975-R1039 PolarHBondContact OE2-NH2 3.32Å; R1039-G1041 PolarHBondContact O-N 3.5Å
1040	T	88.2	Confident	88.6	Confident	32 Å²	32	39 Å²	39	20%	0.196	19%	0.191	C	C	.	.			trans	-73.4	-13.7	-178	52.8	0	0	0	0	113.9	P844 G945 D973	P844-T1040 HydrophobicContact CB-CG2 3.77Å; G945-T1040 WeakPolarHBondContact O-CA 3.16Å; D973-T1040 WeakPolarHBondContact CB-OG1 3.26Å
1041	G	93.8	Very high	87.4	Confident	1 Å²	1	43 Å²	43	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-136.9	174.7	0	0	0	0	0	112.2	S940 Y947 F972 D973 R1039	S940-G1041 WeakPolarHBondContact OG-CA 3.44Å; Y947-G1041 VanDerWaalsContact CD1-CA 3.43Å; F972-G1041 CarbonylContact C-O 3.53Å; F972-G1041 WeakPolarHBondContact CA-O 3.39Å; D973-G1041 PolarHBondContact N-O 3.08Å; D973-G1041 VanDerWaalsContact O-CA 3.31Å; D973-G1041 WeakPolarHBondContact O-CA 3Å; D973-G1041 PolarHBondContact O-N 2.72Å; R1039-G1041 PolarHBondContact O-N 3.5Å
1042	F	95.2	Very high	85.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.6	-173.2	58.5	-100.4	0	0	0	113.6	F938 S939 S940 Y955 F969 E971 F972 V974 V990 L1029 F1031	F938-F1042 HydrophobicContact CD2-CE2 4.01Å; F938-F1042 HydrophobicContact CE2-CD2 4.2Å; F938-F1042 AromaticContact CE2-CE2 3.74Å; F938-F1042 HydrophobicContact CE2-CE2 3.74Å; S939-F1042 CarbonylContact C-O 3.58Å; S939-F1042 VanDerWaalsContact CA-O 3.27Å; S939-F1042 WeakPolarHBondContact CA-O 3.45Å; S939-F1042 WeakPolarHBondContact CB-O 3.44Å; S940-F1042 VanDerWaalsContact N-CE2 3.32Å; S940-F1042 PolarHBondContact N-O 3.23Å; S940-F1042 PolarHBondContact OG-N 3.43Å; S940-F1042 PolarHBondContact OG-O 3.39Å; Y955-F1042 HydrophobicContact CE2-CZ 4.12Å; F969-F1042 HydrophobicContact CD1-CB 3.89Å; F969-F1042 HydrophobicContact CD1-CD2 4.08Å; F969-F1042 HydrophobicContact CD1-CG 4.15Å; F969-F1042 HydrophobicContact CE1-CB 4.09Å; F969-F1042 AromaticContact CE1-CD2 3.63Å; F969-F1042 HydrophobicContact CE1-CD2 3.63Å; F969-F1042 HydrophobicContact CE1-CE2 4.21Å; F969-F1042 AromaticContact CE1-CG 3.84Å; F969-F1042 HydrophobicContact CE1-CG 3.84Å; E971-F1042 CarbonylContact O-C 3.54Å; E971-F1042 WeakPolarHBondContact O-CA 3.36Å; E971-F1042 WeakPolarHBondContact O-CB 3.32Å; F972-F1042 HydrophobicContact CB-CB 4.39Å; F972-F1042 HydrophobicContact CD2-CB 3.68Å; F972-F1042 HydrophobicContact CD2-CD1 4.47Å; F972-F1042 HydrophobicContact CD2-CG 4.31Å; F972-F1042 HydrophobicContact CE2-CB 4.33Å; F972-F1042 HydrophobicContact CE2-CD1 4.29Å; F972-F1042 HydrophobicContact CG-CB 4.28Å; V974-F1042 HydrophobicContact CG2-CD1 4.12Å; V990-F1042 HydrophobicContact CG2-CD1 3.84Å; V990-F1042 HydrophobicContact CG2-CE1 3.51Å; V990-F1042 HydrophobicContact CG2-CZ 4.37Å; L1029-F1042 HydrophobicContact CD2-CZ 4.29Å; F1031-F1042 HydrophobicContact CB-CE1 4.03Å; F1031-F1042 HydrophobicContact CB-CZ 4.17Å; F1031-F1042 AromaticContact CD2-CE1 3.87Å; F1031-F1042 HydrophobicContact CD2-CE1 3.87Å; F1031-F1042 HydrophobicContact CE2-CE1 4.5Å; F1031-F1042 AromaticContact CG-CE1 3.87Å; F1031-F1042 HydrophobicContact CG-CE1 3.87Å; F1031-F1042 HydrophobicContact CG-CZ 4.4Å
1043	F	94.9	Very high	83.8	Confident	36 Å²	36	50.1 Å²	50.1	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	168.3	179.7	-116.2	0	0	0	108.6	I913 N937 Y943 L970 E971	I913-F1043 HydrophobicContact CD1-CD2 4.31Å; I913-F1043 HydrophobicContact CD1-CE2 4.18Å; I913-F1043 HydrophobicContact CG2-CE2 4.34Å; N937-F1043 HydrophobicContact CB-CE2 3.88Å; N937-F1043 HydrophobicContact CB-CZ 3.95Å; Y943-F1043 HydrophobicContact CD1-CB 4.15Å; Y943-F1043 HydrophobicContact CD1-CD2 4.32Å; Y943-F1043 HydrophobicContact CD1-CG 4.48Å; Y943-F1043 HydrophobicContact CD2-CB 4.27Å; Y943-F1043 HydrophobicContact CE1-CB 3.62Å; Y943-F1043 HydrophobicContact CE1-CD2 4.09Å; Y943-F1043 AromaticContact CE1-CG 3.89Å; Y943-F1043 HydrophobicContact CE1-CG 3.89Å; Y943-F1043 HydrophobicContact CE2-CB 3.76Å; Y943-F1043 HydrophobicContact CG-CB 4.45Å; L970-F1043 HydrophobicContact CB-CD1 4.08Å; L970-F1043 HydrophobicContact CD1-CD1 3.86Å; L970-F1043 HydrophobicContact CD1-CE1 3.66Å; L970-F1043 HydrophobicContact CG-CD1 4.46Å; L970-F1043 PolarHBondContact N-O 3.21Å; E971-F1043 HydrophobicContact CB-CB 4.41Å; E971-F1043 PolarHBondContact N-O 2.84Å; E971-F1043 VanDerWaalsContact N-O 3.14Å; E971-F1043 PolarHBondContact O-N 2.8Å
1044	G	94.5	Very high	81.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.4	-174.9	0	0	0	0	0	112.6	N937 F938 E968	N937-G1044 WeakPolarHBondContact CA-O 3.37Å; F938-G1044 WeakPolarHBondContact CD1-O 3.39Å; F938-G1044 PolarHBondContact N-O 3.35Å; F938-G1044 PolarHBondContact O-N 3.38Å; F938-G1044 VanDerWaalsContact O-O 3.07Å; E968-G1044 CarbonylContact O-C 3.52Å; E968-G1044 WeakPolarHBondContact O-CA 3.43Å
1045	V	95.3	Very high	79.5	Confident	37 Å²	37	59.2 Å²	59.2	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.2	171.3	-60.6	0	0	0	0	108.9	G936 N937 I967 E968 L970	G936-V1045 CarbonylContact O-C 3.59Å; G936-V1045 VanDerWaalsContact O-CA 3.32Å; G936-V1045 WeakPolarHBondContact O-CA 3.35Å; N937-V1045 WeakPolarHBondContact OD1-CG1 3.46Å; I967-V1045 WeakPolarHBondContact CA-O 3.44Å; E968-V1045 HydrophobicContact CB-CG2 3.9Å; E968-V1045 PolarHBondContact N-O 2.88Å; E968-V1045 PolarHBondContact O-N 3.18Å; L970-V1045 HydrophobicContact CD1-CG1 3.73Å; L970-V1045 HydrophobicContact CG-CG1 4.29Å
1046	Y	95.4	Very high	77.9	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.4	175.3	72	-95.3	0	0	0	110.8	S916 F928 T935 G936 F938 F957 D966 F1048	S916-Y1046 WeakPolarHBondContact CB-OH 3.36Å; F928-Y1046 HydrophobicContact CB-CE1 4.25Å; F928-Y1046 HydrophobicContact CB-CE2 4.48Å; F928-Y1046 HydrophobicContact CD1-CD1 4.23Å; F928-Y1046 AromaticContact CD1-CE1 3.34Å; F928-Y1046 HydrophobicContact CD1-CE1 3.34Å; F928-Y1046 AromaticContact CD1-CZ 3.72Å; F928-Y1046 AromaticContact CE1-CE1 3.88Å; F928-Y1046 HydrophobicContact CE1-CE1 3.88Å; F928-Y1046 AromaticContact CG-CE1 3.95Å; F928-Y1046 HydrophobicContact CG-CE1 3.95Å; T935-Y1046 WeakPolarHBondContact CA-O 3.45Å; G936-Y1046 VanDerWaalsContact C-CD1 3.49Å; G936-Y1046 VanDerWaalsContact C-CE1 3.41Å; G936-Y1046 PolarHBondContact N-O 3.12Å; G936-Y1046 VanDerWaalsContact N-O 3.1Å; G936-Y1046 WeakPolarHBondContact O-CD1 3.31Å; G936-Y1046 PolarHBondContact O-N 3.44Å; F938-Y1046 HydrophobicContact CD1-CD1 4.27Å; F957-Y1046 HydrophobicContact CD1-CD1 4.05Å; F957-Y1046 HydrophobicContact CD1-CD2 4.17Å; F957-Y1046 AromaticContact CD1-CG 3.8Å; F957-Y1046 HydrophobicContact CD1-CG 3.8Å; F957-Y1046 AromaticContact CE1-CD1 3.54Å; F957-Y1046 HydrophobicContact CE1-CD1 3.54Å; F957-Y1046 HydrophobicContact CE1-CD2 4.47Å; F957-Y1046 HydrophobicContact CE1-CE1 4.21Å; F957-Y1046 AromaticContact CE1-CG 3.68Å; F957-Y1046 HydrophobicContact CE1-CG 3.68Å; D966-Y1046 CarbonylContact O-C 3.58Å; D966-Y1046 VanDerWaalsContact O-CA 3.28Å; D966-Y1046 WeakPolarHBondContact O-CA 3.29Å; Y1046-F1048 HydrophobicContact CD2-CD2 4.01Å; Y1046-F1048 AromaticContact CD2-CE2 3.75Å; Y1046-F1048 HydrophobicContact CD2-CE2 3.75Å; Y1046-F1048 HydrophobicContact CD2-CZ 4.38Å; Y1046-F1048 AromaticContact CE2-CD2 3.8Å; Y1046-F1048 HydrophobicContact CE2-CD2 3.8Å; Y1046-F1048 AromaticContact CE2-CE2 3.4Å; Y1046-F1048 HydrophobicContact CE2-CE2 3.4Å; Y1046-F1048 VanDerWaalsContact CE2-CE2 3.4Å; Y1046-F1048 HydrophobicContact CE2-CZ 4.3Å
1047	E	94.8	Very high	76.5	Confident	83 Å²	83	72.3 Å²	72.3	39%	0.388	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127	172.9	-177.8	174.3	-176.5	0	0	110.7	I934 T935 D966 H1049	I934-E1047 CarbonylContact O-C 3.47Å; I934-E1047 WeakPolarHBondContact O-CA 3.21Å; T935-E1047 HydrophobicContact CG2-CB 4Å; T935-E1047 HydrophobicContact CG2-CG 3.74Å; D966-E1047 PolarHBondContact N-O 3.3Å; D966-E1047 PolarHBondContact O-N 3.04Å; E1047-H1049 IonicContact OE1-CE1 2.67Å; E1047-H1049 PolarHBondContact OE1-CE1 3.46Å; E1047-H1049 IonicContact OE1-ND1 3.74Å; E1047-H1049 IonicContact OE2-CE1 3.49Å; E1047-H1049 IonicContact OE2-NE2 3.72Å
1048	F	94.8	Very high	75.1	Confident	3 Å²	3	70.8 Å²	70.8	1%	0.013	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.6	171.5	-68.1	-72	0	0	0	110.6	H930 S933 I934 F957 V962 I965 Y1046	H930-F1048 HydrophobicContact CB-CB 4.49Å; H930-F1048 HydrophobicContact CB-CD1 4.24Å; H930-F1048 HydrophobicContact CB-CD2 4.04Å; H930-F1048 HydrophobicContact CB-CE1 4.49Å; H930-F1048 HydrophobicContact CB-CE2 4.28Å; H930-F1048 HydrophobicContact CB-CG 4.02Å; H930-F1048 VanDerWaalsContact CD2-CB 3.46Å; H930-F1048 WeakPolarHBondContact CD2-CB 3.41Å; H930-F1048 AromaticContact CD2-CG 3.87Å; S933-F1048 VanDerWaalsContact O-CD2 3.31Å; S933-F1048 WeakPolarHBondContact O-CD2 3.31Å; S933-F1048 WeakPolarHBondContact O-CE2 3.33Å; I934-F1048 HydrophobicContact CG2-CB 4.2Å; I934-F1048 VanDerWaalsContact CG2-O 3.24Å; I934-F1048 WeakPolarHBondContact CG2-O 3.42Å; I934-F1048 VanDerWaalsContact O-CD2 3.31Å; I934-F1048 WeakPolarHBondContact O-CD2 3.36Å; I934-F1048 PolarHBondContact O-N 3.46Å; F957-F1048 HydrophobicContact CB-CE1 4.12Å; F957-F1048 HydrophobicContact CB-CZ 4.02Å; V962-F1048 HydrophobicContact CB-CD1 4.5Å; V962-F1048 HydrophobicContact CG1-CD1 3.9Å; V962-F1048 HydrophobicContact CG2-CB 4.23Å; V962-F1048 HydrophobicContact CG2-CD1 3.79Å; V962-F1048 HydrophobicContact CG2-CG 4.3Å; I965-F1048 HydrophobicContact CD1-CD1 4.3Å; I965-F1048 HydrophobicContact CD1-CE1 3.9Å; I965-F1048 HydrophobicContact CG1-CD1 3.83Å; I965-F1048 HydrophobicContact CG1-CE1 3.93Å; I965-F1048 HydrophobicContact CG2-CD1 4.41Å; I965-F1048 HydrophobicContact CG2-CE1 4.31Å; Y1046-F1048 HydrophobicContact CD2-CD2 4.01Å; Y1046-F1048 AromaticContact CD2-CE2 3.75Å; Y1046-F1048 HydrophobicContact CD2-CE2 3.75Å; Y1046-F1048 HydrophobicContact CD2-CZ 4.38Å; Y1046-F1048 AromaticContact CE2-CD2 3.8Å; Y1046-F1048 HydrophobicContact CE2-CD2 3.8Å; Y1046-F1048 AromaticContact CE2-CE2 3.4Å; Y1046-F1048 HydrophobicContact CE2-CE2 3.4Å; Y1046-F1048 VanDerWaalsContact CE2-CE2 3.4Å; Y1046-F1048 HydrophobicContact CE2-CZ 4.3Å
1049	H	92.2	Very high	73.3	Confident	35 Å²	35	74 Å²	74	16%	0.162	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.3	175.1	-59.9	-78.8	0	0	0	111.9	R963 R964 D966 E1047	R963-H1049 PolarHBondContact N-O 2.86Å; R964-H1049 HydrophobicContact CB-CB 4.29Å; R964-H1049 PolarHBondContact N-O 3.42Å; R964-H1049 PolarHBondContact NE-CD2 2.91Å; R964-H1049 PolarHBondContact NH2-CD2 3.39Å; R964-H1049 VanDerWaalsContact NH2-CD2 3.34Å; R964-H1049 PolarHBondContact NH2-CE1 3.49Å; R964-H1049 PolarHBondContact NH2-NE2 3.35Å; R964-H1049 PolarHBondContact O-N 3.01Å; D966-H1049 IonicContact OD2-CD2 3.05Å; D966-H1049 IonicContact OD2-NE2 3.08Å; D966-H1049 PolarHBondContact OD2-NE2 3.46Å; D966-H1049 VanDerWaalsContact OD2-NE2 3.08Å; E1047-H1049 IonicContact OE1-CE1 2.67Å; E1047-H1049 PolarHBondContact OE1-CE1 3.46Å; E1047-H1049 IonicContact OE1-ND1 3.74Å; E1047-H1049 IonicContact OE2-CE1 3.49Å; E1047-H1049 IonicContact OE2-NE2 3.72Å
1050	D	86.7	Confident	71.5	Confident	47 Å²	47	78.2 Å²	78.2	25%	0.251	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	160.3	-179.8	-71.7	-24.2	0	0	0	114.3	H930 N961 G1052	H930-D1050 IonicContact CE1-OD1 2.7Å; H930-D1050 PolarHBondContact CE1-OD1 3.01Å; H930-D1050 IonicContact CE1-OD2 3.22Å; H930-D1050 PolarHBondContact CE1-OD2 3Å; H930-D1050 IonicContact ND1-OD1 2.74Å; H930-D1050 IonicContact NE2-OD1 3.26Å; H930-D1050 PolarHBondContact NE2-OD1 2.95Å; H930-D1050 IonicContact NE2-OD2 3.9Å; N961-D1050 WeakPolarHBondContact O-CA 3.38Å; D1050-G1052 PolarHBondContact O-N 3.49Å
1051	F	69.2	Low	69.9	Low	146 Å²	146	82.2 Å²	82.2	64%	0.64	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	73.2	163.2	-71.4	-84	0	0	0	111.3	N961 R963	N961-F1051 VanDerWaalsContact O-CD2 3.27Å; N961-F1051 WeakPolarHBondContact O-CD2 3.48Å; N961-F1051 PolarHBondContact O-N 3.45Å; R963-F1051 HydrophobicContact CB-CD1 4.05Å; R963-F1051 HydrophobicContact CB-CD2 3.89Å; R963-F1051 HydrophobicContact CB-CE1 3.91Å; R963-F1051 HydrophobicContact CB-CE2 3.72Å; R963-F1051 HydrophobicContact CB-CG 4.03Å; R963-F1051 HydrophobicContact CB-CZ 3.74Å; R963-F1051 HydrophobicContact CG-CD1 4.05Å; R963-F1051 HydrophobicContact CG-CE1 3.61Å; R963-F1051 HydrophobicContact CG-CE2 4.24Å; R963-F1051 HydrophobicContact CG-CZ 3.71Å
1052	G	61.8	Low	68.3	Low	71 Å²	71	87.1 Å²	87.1	73%	0.732	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	170.8	-14.4	174.8	0	0	0	0	0	117.3	D1050	D1050-G1052 PolarHBondContact O-N 3.49Å
1053	Q	48.6	Very low	66.9	Low	140 Å²	140	90.2 Å²	90.2	65%	0.654	47%	0.47	S	S	*	.			trans	-92.9	-0.3	-174.9	-66.9	-163.4	6.5	0	0	115.7	G1055	Q1053-G1055 PolarHBondContact O-N 3.02Å
1054	Q	38.9	Very low	65.5	Low	159 Å²	159	92.7 Å²	92.7	74%	0.743	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	91.2	166.5	-79.8	-173.9	-23	0	0	110.2
1055	G	39	Very low	64.2	Low	64 Å²	64	99.4 Å²	99.4	66%	0.66	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	160	7.8	165.1	0	0	0	0	0	122.1	Q1053 K1057	Q1053-G1055 PolarHBondContact O-N 3.02Å; G1055-K1057 VanDerWaalsContact C-N 3.26Å
1056	K	39	Very low	62.9	Low	205 Å²	205	102.2 Å²	102.2	89%	0.891	53%	0.527	S	S	*	.			trans	-88.8	11.8	159.4	-85.5	-170.8	-177.9	177.8	0	113.2	V1058	K1056-V1058 PolarHBondContact O-N 3.43Å
1057	K	40.7	Very low	61.6	Low	202 Å²	202	105.5 Å²	105.5	88%	0.878	55%	0.549	S	S	*	.	S	Bend	trans	-74.4	79.6	156.5	-81.9	-176.2	178.4	175.7	0	107.2	G1055 N1059	G1055-K1057 VanDerWaalsContact C-N 3.26Å; K1057-N1059 PolarHBondContact O-N 3.4Å
1058	V	42.8	Very low	60.3	Low	97 Å²	97	108.3 Å²	108.3	59%	0.588	56%	0.56	S	S	*	*			trans	-42.9	107.3	164.3	175.7	0	0	0	0	106.7	K1056 K1060 V1063	K1056-V1058 PolarHBondContact O-N 3.43Å; V1058-K1060 PolarHBondContact O-N 2.74Å; V1058-V1063 HydrophobicContact CG1-CB 4.07Å; V1058-V1063 HydrophobicContact CG1-CG2 3.13Å
1059	N	44.9	Very low	59.1	Low	105 Å²	105	111.4 Å²	111.4	56%	0.561	58%	0.58	S	S	*	*			trans	-59.8	108.2	177.3	-164.2	-4.6	0	0	0	105	K1057 L1061 L1062 V1063	K1057-N1059 PolarHBondContact O-N 3.4Å; N1059-L1061 PolarHBondContact O-N 2.84Å; N1059-L1062 HydrophobicContact CB-CB 3.87Å; N1059-L1062 WeakPolarHBondContact O-CA 3.45Å; N1059-L1062 PolarHBondContact O-N 3.3Å; N1059-V1063 PolarHBondContact O-N 3.14Å; N1059-V1063 VanDerWaalsContact O-N 3.13Å
1060	K	51.2	Low	58	Low	176 Å²	176	113.7 Å²	113.7	77%	0.765	60%	0.596	S	S	*	*	H	α-helix	trans	-51	-31.7	-178	-89	-178.2	174.5	178.9	0	110.3	V1058 I1064	V1058-K1060 PolarHBondContact O-N 2.74Å; K1060-I1064 WeakPolarHBondContact O-CB 3.25Å; K1060-I1064 VanDerWaalsContact O-CD1 3.31Å; K1060-I1064 WeakPolarHBondContact O-CD1 3.31Å; K1060-I1064 WeakPolarHBondContact O-CG1 3.34Å; K1060-I1064 PolarHBondContact O-N 2.9Å
1061	L	54.1	Low	56.9	Low	116 Å²	116	116.3 Å²	116.3	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-66.3	-36.6	174.5	-145.5	81.5	0	0	0	113.9	N1059 I1064 F1065	N1059-L1061 PolarHBondContact O-N 2.84Å; L1061-I1064 PolarHBondContact O-N 3.41Å; L1061-F1065 WeakPolarHBondContact O-CB 3.43Å; L1061-F1065 PolarHBondContact O-N 3.47Å
1062	L	60.4	Low	56.7	Low	105 Å²	105	112.6 Å²	112.6	55%	0.55	60%	0.602	S	S	.	*	H	α-helix	trans	-76.6	-32.9	179.7	-162.9	122.3	0	0	0	112	N1059 F1065 L1066	N1059-L1062 HydrophobicContact CB-CB 3.87Å; N1059-L1062 WeakPolarHBondContact O-CA 3.45Å; N1059-L1062 PolarHBondContact O-N 3.3Å; L1062-F1065 PolarHBondContact O-N 3.49Å; L1062-L1066 HydrophobicContact CD2-CD1 3.83Å; L1062-L1066 WeakPolarHBondContact O-CB 3.38Å; L1062-L1066 VanDerWaalsContact O-CG 3.29Å; L1062-L1066 WeakPolarHBondContact O-CG 3.42Å; L1062-L1066 PolarHBondContact O-N 2.99Å
1063	V	64.7	Low	56.5	Low	65 Å²	65	114.9 Å²	114.9	39%	0.394	60%	0.597	S	S	.	*	H	α-helix	trans	-71.1	-38.7	168.9	164.9	0	0	0	0	111.7	V1058 N1059 F1065 L1066 C1067	V1058-V1063 HydrophobicContact CG1-CB 4.07Å; V1058-V1063 HydrophobicContact CG1-CG2 3.13Å; N1059-V1063 PolarHBondContact O-N 3.14Å; N1059-V1063 VanDerWaalsContact O-N 3.13Å; V1063-F1065 VanDerWaalsContact C-N 3.32Å; V1063-F1065 PolarHBondContact O-N 2.77Å; V1063-L1066 PolarHBondContact O-N 3.48Å; V1063-C1067 WeakPolarHBondContact O-CB 3.37Å; V1063-C1067 PolarHBondContact O-N 2.92Å; V1063-C1067 PolarHBondContact O-SG 2.93Å; V1063-C1067 VanDerWaalsContact O-SG 3.4Å
1064	I	67.5	Low	56.9	Low	87 Å²	87	113.2 Å²	113.2	45%	0.446	59%	0.592	S	S	.	*	H	α-helix	trans	-61.7	-43.5	171.6	-69.3	163.7	0	0	0	110	K1060 L1061 L1066 C1067 F1068	K1060-I1064 WeakPolarHBondContact O-CB 3.25Å; K1060-I1064 VanDerWaalsContact O-CD1 3.31Å; K1060-I1064 WeakPolarHBondContact O-CD1 3.31Å; K1060-I1064 WeakPolarHBondContact O-CG1 3.34Å; K1060-I1064 PolarHBondContact O-N 2.9Å; L1061-I1064 PolarHBondContact O-N 3.41Å; I1064-L1066 PolarHBondContact O-N 3.41Å; I1064-C1067 PolarHBondContact O-N 2.71Å; I1064-F1068 HydrophobicContact CG2-CD2 3.64Å; I1064-F1068 HydrophobicContact CG2-CE2 3.73Å; I1064-F1068 VanDerWaalsContact O-CD2 3.32Å; I1064-F1068 WeakPolarHBondContact O-CD2 3.44Å; I1064-F1068 PolarHBondContact O-N 2.9Å
1065	F	66.7	Low	58	Low	142 Å²	142	113.9 Å²	113.9	62%	0.623	59%	0.593	S	S	*	*	H	α-helix	trans	-61.6	-44.6	175.8	-118	-88.8	0	0	0	112.5	L1061 L1062 V1063 F1068 T1069	L1061-F1065 WeakPolarHBondContact O-CB 3.43Å; L1061-F1065 PolarHBondContact O-N 3.47Å; L1062-F1065 PolarHBondContact O-N 3.49Å; V1063-F1065 VanDerWaalsContact C-N 3.32Å; V1063-F1065 PolarHBondContact O-N 2.77Å; F1065-F1068 PolarHBondContact O-N 2.96Å; F1065-T1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-T1069 PolarHBondContact O-N 3.09Å; F1065-T1069 PolarHBondContact O-OG1 3.12Å
1066	L	68.1	Low	58.9	Low	96 Å²	96	117.7 Å²	117.7	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-66.4	-35.5	176.2	-75	165	0	0	0	112.1	L1062 V1063 I1064 T1069 V1070	L1062-L1066 HydrophobicContact CD2-CD1 3.83Å; L1062-L1066 WeakPolarHBondContact O-CB 3.38Å; L1062-L1066 VanDerWaalsContact O-CG 3.29Å; L1062-L1066 WeakPolarHBondContact O-CG 3.42Å; L1062-L1066 PolarHBondContact O-N 2.99Å; V1063-L1066 PolarHBondContact O-N 3.48Å; I1064-L1066 PolarHBondContact O-N 3.41Å; L1066-T1069 WeakPolarHBondContact CA-OG1 3.43Å; L1066-T1069 PolarHBondContact O-OG1 3.01Å; L1066-V1070 WeakPolarHBondContact O-CB 3.47Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.36Å; L1066-V1070 PolarHBondContact O-N 3.09Å
1067	C	68.4	Low	60	Low	72 Å²	72	113.8 Å²	113.8	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-67.3	-39.2	172.9	-78	0	0	0	0	112.1	V1063 I1064 N1071	V1063-C1067 WeakPolarHBondContact O-CB 3.37Å; V1063-C1067 PolarHBondContact O-N 2.92Å; V1063-C1067 PolarHBondContact O-SG 2.93Å; V1063-C1067 VanDerWaalsContact O-SG 3.4Å; I1064-C1067 PolarHBondContact O-N 2.71Å; C1067-N1071 WeakPolarHBondContact O-CB 3.3Å; C1067-N1071 PolarHBondContact O-N 3.17Å
1068	F	67.8	Low	60.4	Low	141 Å²	141	115.4 Å²	115.4	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-69.2	-41.5	176	-91.7	-74.9	0	0	0	112.2	I1064 F1065 N1071 S1072	I1064-F1068 HydrophobicContact CG2-CD2 3.64Å; I1064-F1068 HydrophobicContact CG2-CE2 3.73Å; I1064-F1068 VanDerWaalsContact O-CD2 3.32Å; I1064-F1068 WeakPolarHBondContact O-CD2 3.44Å; I1064-F1068 PolarHBondContact O-N 2.9Å; F1065-F1068 PolarHBondContact O-N 2.96Å; F1068-N1071 PolarHBondContact O-N 2.93Å; F1068-S1072 WeakPolarHBondContact O-CB 3.2Å; F1068-S1072 PolarHBondContact O-N 3.26Å; F1068-S1072 PolarHBondContact O-OG 3.2Å
1069	T	68.7	Low	61.3	Low	69 Å²	69	116.4 Å²	116.4	42%	0.423	60%	0.598	S	S	.	*	H	α-helix	trans	-68.6	-38.7	178.6	55.5	0	0	0	0	111.7	F1065 L1066 S1072 L1073	F1065-T1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-T1069 PolarHBondContact O-N 3.09Å; F1065-T1069 PolarHBondContact O-OG1 3.12Å; L1066-T1069 WeakPolarHBondContact CA-OG1 3.43Å; L1066-T1069 PolarHBondContact O-OG1 3.01Å; T1069-S1072 PolarHBondContact O-N 2.88Å; T1069-L1073 WeakPolarHBondContact O-CB 3.26Å; T1069-L1073 PolarHBondContact O-N 3.46Å
1070	V	69.4	Low	62.1	Low	82 Å²	82	116.9 Å²	116.9	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-40.6	175.3	172	0	0	0	0	111.4	L1066 L1073 L1074	L1066-V1070 WeakPolarHBondContact O-CB 3.47Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.36Å; L1066-V1070 PolarHBondContact O-N 3.09Å; V1070-L1073 PolarHBondContact O-N 3.07Å; V1070-L1074 HydrophobicContact CG1-CD1 3.83Å; V1070-L1074 WeakPolarHBondContact O-CB 3.49Å; V1070-L1074 PolarHBondContact O-N 3.29Å
1071	N	63.1	Low	62.7	Low	102 Å²	102	113.7 Å²	113.7	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-67.7	-38.9	174.9	-85.5	-22.8	0	0	0	112.9	C1067 F1068 L1074 F1075	C1067-N1071 WeakPolarHBondContact O-CB 3.3Å; C1067-N1071 PolarHBondContact O-N 3.17Å; F1068-N1071 PolarHBondContact O-N 2.93Å; N1071-L1074 PolarHBondContact O-N 3.45Å; N1071-F1075 WeakPolarHBondContact O-CB 3.48Å; N1071-F1075 PolarHBondContact O-N 2.86Å
1072	S	64.7	Low	63.3	Low	68 Å²	68	113.5 Å²	113.5	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-67.2	-36.8	174.2	-72.3	0	0	0	0	112.2	F1068 T1069 F1075 L1076	F1068-S1072 WeakPolarHBondContact O-CB 3.2Å; F1068-S1072 PolarHBondContact O-N 3.26Å; F1068-S1072 PolarHBondContact O-OG 3.2Å; T1069-S1072 PolarHBondContact O-N 2.88Å; S1072-F1075 PolarHBondContact O-N 3.35Å; S1072-L1076 PolarHBondContact O-N 3.17Å
1073	L	57.9	Low	63.4	Low	119 Å²	119	114.1 Å²	114.1	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-68.3	-39.3	175.3	-137.8	83.5	0	0	0	111.3	T1069 V1070 F1075 L1076 V1077	T1069-L1073 WeakPolarHBondContact O-CB 3.26Å; T1069-L1073 PolarHBondContact O-N 3.46Å; V1070-L1073 PolarHBondContact O-N 3.07Å; L1073-F1075 VanDerWaalsContact C-N 3.31Å; L1073-F1075 PolarHBondContact O-N 3.23Å; L1073-L1076 PolarHBondContact O-N 2.95Å; L1073-V1077 WeakPolarHBondContact O-CB 3.32Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.35Å; L1073-V1077 PolarHBondContact O-N 3.41Å; L1073-V1077 VanDerWaalsContact O-N 3.08Å
1074	L	56.5	Low	63.4	Low	106 Å²	106	117.3 Å²	117.3	56%	0.555	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-29.2	174.4	-88.1	154.6	0	0	0	112.9	V1070 N1071 K1078	V1070-L1074 HydrophobicContact CG1-CD1 3.83Å; V1070-L1074 WeakPolarHBondContact O-CB 3.49Å; V1070-L1074 PolarHBondContact O-N 3.29Å; N1071-L1074 PolarHBondContact O-N 3.45Å; L1074-K1078 PolarHBondContact O-N 3.34Å
1075	F	62.3	Low	63.1	Low	173 Å²	173	119.5 Å²	119.5	76%	0.759	62%	0.617	S	S	*	*	H	α-helix	trans	-77.8	-27.7	173.7	-117.1	-82	0	0	0	113.5	N1071 S1072 L1073	N1071-F1075 WeakPolarHBondContact O-CB 3.48Å; N1071-F1075 PolarHBondContact O-N 2.86Å; S1072-F1075 PolarHBondContact O-N 3.35Å; L1073-F1075 VanDerWaalsContact C-N 3.31Å; L1073-F1075 PolarHBondContact O-N 3.23Å
1076	L	57.9	Low	62.8	Low	144 Å²	144	117.8 Å²	117.8	75%	0.754	62%	0.616	S	S	*	*	H	α-helix	trans	-81.5	-21.7	174.9	-86.8	158.3	0	0	0	113.3	S1072 L1073	S1072-L1076 PolarHBondContact O-N 3.17Å; L1073-L1076 PolarHBondContact O-N 2.95Å
1077	V	62.7	Low	62.3	Low	123 Å²	123	119.6 Å²	119.6	75%	0.745	63%	0.626	S	S	*	*	H	α-helix	trans	-91.3	-13.2	178.4	174.3	0	0	0	0	112.1	L1073	L1073-V1077 WeakPolarHBondContact O-CB 3.32Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.35Å; L1073-V1077 PolarHBondContact O-N 3.41Å; L1073-V1077 VanDerWaalsContact O-N 3.08Å
1078	K	48.8	Very low	61.8	Low	236 Å²	236	123.9 Å²	123.9	100%	1.026	64%	0.638	S	S	*	*			trans	-87.9	0	163.3	-94.8	-173.9	174	-178.7	0	110.1	L1074	L1074-K1078 PolarHBondContact O-N 3.34Å

Retrieved 1,078 of 1,078 residues in 247.9 ms (Link to these results)

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