A0A5K4F4R1_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,260 aa.

						>A0A5K4F4R1_SCHMA|A0A5K4F4R1
MFIPLNFFKIFTSIYYLYHSILSSSYIIYIILYLFNKFIIHYYYVDAVDGCSIIYQLDFKWKKAICDSELNKLKQIPINLPPNLIELRIIHQSIKIIKNNSLNYLIHLETLTIESSELKQIELNTLNQLISLKSINLRNNSLTFGSISFPIDLLNYLPNLISLNLAENPIDLIPDLFFYNLHSNNMKLQYLWLNSVKSNGIIFESNHLISLPYLYLLDLSYTELTSLHESNELALNGMKHLKELYLGGNPWICDCKLNWLKLWFIKKSFNHIKFQKNKTNSNGHIELIEPLCYKPDHLKGKRILSSSLSSSSSNDQHNVVQFTELHCTTQIFTLNQNYTFYNNKTMLLRCEYHSNKMDHLLWYKDDQLVQNTTNHMIIYGQLGSNYYSNLIVTMTTGKDTGLWSCVLNNQYRTLFEVNIINSDGKILYPNDDDQSFINGAFILFGMNGQTKNWIYAGIALVTLFVILALIGIGIFCCCDPHTRSSDTSTDLQVLHGENMKSCSTMNKSGSICRRRFKCIYNNPHHHKKTKVNKDDSGSSLLVTTHDEQKMIDKNDLQLISTMKDDTNTMVTSATMMTTNTIPNSDVHMNNIENDVTSLRRNIDENRLLNIFCCPTNATREVQFVTIPITSSASSSLSTNVTHLGGSLIQGTVVTGENRVLVSCDSPEPKLLIATNGITPSTNICSLDFSTCLQQQQQQSLNVIPQQSCTGWDGNGSYSVPQFPGIYTSSQITIETSKPCPVHGIMNLKQMEMNCDMPVNTTIDSNHANTKQLPNYKKVDSIYWDHSNSSTILTDPHLSYNLSNCIFLDSQNHDHITNGTHRSNDHQKNEIEVIQNYSKPLSSYHDMKDYSLLQKANLNEVNLQWSTDSRSQGTCPVHGNQTLSRRNDPLKHIDKEDIVLGSRKHLKRNHLNKSIIHEPSSYHIDHCHHEMIDHQEVSICSSNDTNNHEETDNQSNSVHYDHYSLPMNSIKPKQIIYTSNDETESHGESSLSEKSLHSDDCTSHSCTSSISSSTNSSSSSSINQHFKYIYPSNQTGFNSICSSLSNQINLAAAAAAAASVNTISDPLQQQSPPSLEFCPSSELLSNRPNSNYDTFNNLKCPVHSLTRNHRFIPRKLFYDTYNHRENMRQHHHHDKNNNRSSLRVTTLPTRFRKVSYNNNNNNNKGNTTTTNSSSMIPNMASIRKFASQHTVRSNYYSSSSLYLSNTQSLDKFMNKHLEKSILRPGSKHKLDTESDSDDDDTTTTNNNNNNNHNNTSEENNF
					

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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	40.3	Very low	57.5	Low	233 Å²	233	144.3 Å²	144.3	100%	1.148	70%	0.696	S	S	*	*				0	112.7	0	-169.6	170.9	-178	0	0	107.2	I3	M1-I3 PolarHBondContact O-N 3.21Å
2	F	43.6	Very low	58.5	Low	216 Å²	216	137.4 Å²	137.4	95%	0.947	67%	0.67	S	S	*	*			trans	-84.5	94.7	-165.4	-76.2	-85.6	0	0	0	112.4
3	I	50.4	Low	59.3	Low	132 Å²	132	132.2 Å²	132.2	68%	0.677	66%	0.655	S	S	*	*			trans	-79.6	125.2	161.3	-59.5	175.5	0	0	0	107.1	M1 F7	M1-I3 PolarHBondContact O-N 3.21Å; I3-F7 HydrophobicContact CG2-CB 3.95Å; I3-F7 HydrophobicContact CG2-CG 4.43Å
4	P	58.1	Low	60.3	Low	81 Å²	81	129.9 Å²	129.9	53%	0.526	65%	0.645	S	S	.	*			trans	-69.6	139.6	-175.9	27.3	-34.1	0	0	0	111.6	N6 F7	P4-N6 PolarHBondContact O-N 3.42Å; P4-F7 HydrophobicContact CG-CD2 4.31Å; P4-F7 PolarHBondContact O-N 3.35Å
5	L	56.9	Low	61.3	Low	151 Å²	151	130.8 Å²	130.8	79%	0.791	64%	0.64	S	S	*	*	H	α-helix	trans	-52.3	-23	-177	-81.1	147.1	0	0	0	114.9	F7 F8 K9	L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 2.91Å; L5-F8 PolarHBondContact O-N 2.92Å; L5-K9 PolarHBondContact O-N 3.27Å
6	N	58	Low	61.9	Low	113 Å²	113	133.7 Å²	133.7	60%	0.604	64%	0.643	S	S	*	*	H	α-helix	trans	-61.3	-33.6	173.8	-71.7	-8.8	0	0	0	113	P4 F8 K9 I10	P4-N6 PolarHBondContact O-N 3.42Å; N6-F8 VanDerWaalsContact C-N 3.31Å; N6-F8 PolarHBondContact O-N 3.32Å; N6-K9 PolarHBondContact O-N 3.34Å; N6-I10 WeakPolarHBondContact O-CG1 3.3Å; N6-I10 PolarHBondContact O-N 3Å
7	F	57.8	Low	62.3	Low	122 Å²	122	132.5 Å²	132.5	54%	0.535	64%	0.64	S	S	.	*	H	α-helix	trans	-63.1	-38.4	176.8	-108	-85.7	0	0	0	112	I3 P4 L5 I10 F11	I3-F7 HydrophobicContact CG2-CB 3.95Å; I3-F7 HydrophobicContact CG2-CG 4.43Å; P4-F7 HydrophobicContact CG-CD2 4.31Å; P4-F7 PolarHBondContact O-N 3.35Å; L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 2.91Å; F7-I10 PolarHBondContact O-N 2.92Å; F7-F11 PolarHBondContact O-N 3.4Å
8	F	61.2	Low	62.8	Low	158 Å²	158	133.1 Å²	133.1	69%	0.693	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-36.2	178.1	-129.8	-82.5	0	0	0	112	L5 N6 T12	L5-F8 PolarHBondContact O-N 2.92Å; N6-F8 VanDerWaalsContact C-N 3.31Å; N6-F8 PolarHBondContact O-N 3.32Å; F8-T12 HydrophobicContact CD1-CG2 4.37Å; F8-T12 WeakPolarHBondContact O-CB 3.31Å; F8-T12 WeakPolarHBondContact O-CG2 3.48Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 2.87Å
9	K	64.7	Low	62.9	Low	145 Å²	145	130.9 Å²	130.9	63%	0.63	63%	0.625	S	S	*	*	H	α-helix	trans	-65	-44	171.6	-73.8	-172.8	174.3	-177.6	0	111.9	L5 N6 T12 S13	L5-K9 PolarHBondContact O-N 3.27Å; N6-K9 PolarHBondContact O-N 3.34Å; K9-T12 WeakPolarHBondContact CA-OG1 3.34Å; K9-T12 PolarHBondContact O-N 2.72Å; K9-T12 PolarHBondContact O-OG1 3.48Å; K9-T12 VanDerWaalsContact O-OG1 3.05Å; K9-S13 WeakPolarHBondContact O-CB 3.48Å; K9-S13 PolarHBondContact O-N 3.46Å; K9-S13 PolarHBondContact O-OG 3.31Å; K9-S13 VanDerWaalsContact O-OG 3.13Å
10	I	72	Confident	62.9	Low	93 Å²	93	128 Å²	128	48%	0.477	62%	0.618	S	S	.	*	H	α-helix	trans	-63.1	-46.5	177.2	-67.9	164.5	0	0	0	110.8	N6 F7 T12 S13 I14	N6-I10 WeakPolarHBondContact O-CG1 3.3Å; N6-I10 PolarHBondContact O-N 3Å; F7-I10 PolarHBondContact O-N 2.92Å; I10-T12 PolarHBondContact O-N 2.88Å; I10-S13 PolarHBondContact O-N 2.95Å; I10-I14 HydrophobicContact CG2-CD1 3.68Å; I10-I14 HydrophobicContact CG2-CG1 4.39Å; I10-I14 WeakPolarHBondContact O-CB 3.33Å; I10-I14 VanDerWaalsContact O-CG1 3.31Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.05Å
11	F	69.6	Low	63	Low	143 Å²	143	126.6 Å²	126.6	63%	0.627	61%	0.613	S	S	*	*	H	α-helix	trans	-63.7	-41.2	178.7	-116	-87.5	0	0	0	113.1	F7 I14 Y15	F7-F11 PolarHBondContact O-N 3.4Å; F11-I14 PolarHBondContact O-N 3.44Å; F11-Y15 VanDerWaalsContact O-CB 3.3Å; F11-Y15 WeakPolarHBondContact O-CB 3.44Å; F11-Y15 PolarHBondContact O-N 2.9Å
12	T	69.2	Low	64.1	Low	62 Å²	62	119.4 Å²	119.4	38%	0.38	58%	0.579	S	S	.	*	H	α-helix	trans	-67.8	-41	175.3	46.4	0	0	0	0	112	F8 K9 I10 Y15 Y16	F8-T12 HydrophobicContact CD1-CG2 4.37Å; F8-T12 WeakPolarHBondContact O-CB 3.31Å; F8-T12 WeakPolarHBondContact O-CG2 3.48Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 2.87Å; K9-T12 WeakPolarHBondContact CA-OG1 3.34Å; K9-T12 PolarHBondContact O-N 2.72Å; K9-T12 PolarHBondContact O-OG1 3.48Å; K9-T12 VanDerWaalsContact O-OG1 3.05Å; I10-T12 PolarHBondContact O-N 2.88Å; T12-Y15 PolarHBondContact O-N 2.89Å; T12-Y16 VanDerWaalsContact O-CD2 3.31Å; T12-Y16 WeakPolarHBondContact O-CD2 3.47Å; T12-Y16 PolarHBondContact O-N 3.19Å
13	S	68.8	Low	65.1	Low	69 Å²	69	111.9 Å²	111.9	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-61.1	-42.5	172.3	-67.7	0	0	0	0	112.9	K9 I10 Y16 L17	K9-S13 WeakPolarHBondContact O-CB 3.48Å; K9-S13 PolarHBondContact O-N 3.46Å; K9-S13 PolarHBondContact O-OG 3.31Å; K9-S13 VanDerWaalsContact O-OG 3.13Å; I10-S13 PolarHBondContact O-N 2.95Å; S13-Y16 PolarHBondContact O-N 2.82Å; S13-L17 VanDerWaalsContact O-CD1 3.28Å; S13-L17 WeakPolarHBondContact O-CD1 3.4Å; S13-L17 PolarHBondContact O-N 3.35Å
14	I	73.9	Confident	65.9	Low	100 Å²	100	108 Å²	108	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-41.7	175.9	-69.4	169.9	0	0	0	110.8	I10 F11 L17 Y18	I10-I14 HydrophobicContact CG2-CD1 3.68Å; I10-I14 HydrophobicContact CG2-CG1 4.39Å; I10-I14 WeakPolarHBondContact O-CB 3.33Å; I10-I14 VanDerWaalsContact O-CG1 3.31Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.05Å; F11-I14 PolarHBondContact O-N 3.44Å; I14-L17 PolarHBondContact O-N 3.46Å; I14-Y18 WeakPolarHBondContact O-CB 3.38Å; I14-Y18 PolarHBondContact O-N 3.33Å
15	Y	74.7	Confident	66.6	Low	144 Å²	144	107.5 Å²	107.5	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-62.6	-43.4	176.5	-172.8	-92.1	0	0	0	112	F11 T12 Y18 H19	F11-Y15 VanDerWaalsContact O-CB 3.3Å; F11-Y15 WeakPolarHBondContact O-CB 3.44Å; F11-Y15 PolarHBondContact O-N 2.9Å; T12-Y15 PolarHBondContact O-N 2.89Å; Y15-Y18 PolarHBondContact O-N 2.9Å; Y15-H19 AromaticContact CD1-CD2 3.91Å; Y15-H19 AromaticContact CE1-CD2 3.38Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.49Å; Y15-H19 AromaticContact CE1-NE2 3.77Å; Y15-H19 AromaticContact CZ-CD2 3.45Å; Y15-H19 VanDerWaalsContact CZ-CD2 3.45Å; Y15-H19 AromaticContact CZ-NE2 3.42Å; Y15-H19 PolarHBondContact O-N 3.13Å; Y15-H19 PolarHBondContact OH-NE2 2.89Å
16	Y	71.3	Confident	67.6	Low	177 Å²	177	107.7 Å²	107.7	69%	0.694	53%	0.528	S	S	*	.	H	α-helix	trans	-66.2	-39.2	174.1	-88.3	-71.4	0	0	0	112.6	T12 S13 S20	T12-Y16 VanDerWaalsContact O-CD2 3.31Å; T12-Y16 WeakPolarHBondContact O-CD2 3.47Å; T12-Y16 PolarHBondContact O-N 3.19Å; S13-Y16 PolarHBondContact O-N 2.82Å; Y16-S20 VanDerWaalsContact O-CB 3.23Å; Y16-S20 WeakPolarHBondContact O-CB 3.24Å; Y16-S20 PolarHBondContact O-N 3.36Å
17	L	69	Low	68.4	Low	113 Å²	113	106.8 Å²	106.8	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-46.8	171.2	-101.6	86.4	0	0	0	111.1	S13 I14 H19 S20 I21	S13-L17 VanDerWaalsContact O-CD1 3.28Å; S13-L17 WeakPolarHBondContact O-CD1 3.4Å; S13-L17 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 3.46Å; L17-H19 PolarHBondContact O-N 2.91Å; L17-S20 CarbonylContact O-C 3.56Å; L17-S20 WeakPolarHBondContact O-CB 3.44Å; L17-S20 PolarHBondContact O-N 2.81Å; L17-S20 VanDerWaalsContact O-N 3.13Å; L17-I21 WeakPolarHBondContact O-CB 3.44Å; L17-I21 WeakPolarHBondContact O-CD1 3.46Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.13Å
18	Y	71.5	Confident	69.4	Low	144 Å²	144	105.4 Å²	105.4	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-42.3	-178.5	-169.6	-110.2	0	0	0	112	I14 Y15 I21 L22	I14-Y18 WeakPolarHBondContact O-CB 3.38Å; I14-Y18 PolarHBondContact O-N 3.33Å; Y15-Y18 PolarHBondContact O-N 2.9Å; Y18-I21 PolarHBondContact O-N 2.88Å; Y18-L22 HydrophobicContact CD1-CD1 3.78Å; Y18-L22 HydrophobicContact CE1-CD1 3.48Å; Y18-L22 VanDerWaalsContact CE1-CD1 3.48Å; Y18-L22 HydrophobicContact CE1-CG 4.38Å; Y18-L22 WeakPolarHBondContact O-CB 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.3Å; Y18-L22 PolarHBondContact O-N 3.48Å
19	H	65.3	Low	70.4	Confident	92 Å²	92	105.3 Å²	105.3	43%	0.426	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-31.7	172.1	-97.2	-78.4	0	0	0	113.7	Y15 L17 S23	Y15-H19 AromaticContact CD1-CD2 3.91Å; Y15-H19 AromaticContact CE1-CD2 3.38Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.49Å; Y15-H19 AromaticContact CE1-NE2 3.77Å; Y15-H19 AromaticContact CZ-CD2 3.45Å; Y15-H19 VanDerWaalsContact CZ-CD2 3.45Å; Y15-H19 AromaticContact CZ-NE2 3.42Å; Y15-H19 PolarHBondContact O-N 3.13Å; Y15-H19 PolarHBondContact OH-NE2 2.89Å; L17-H19 PolarHBondContact O-N 2.91Å; H19-S23 VanDerWaalsContact O-CB 3.3Å; H19-S23 WeakPolarHBondContact O-CB 3.31Å; H19-S23 PolarHBondContact O-N 3.05Å; H19-S23 PolarHBondContact O-OG 3.31Å
20	S	62.9	Low	71.1	Confident	71 Å²	71	101.7 Å²	101.7	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-35.6	173.6	-168	0	0	0	0	112.2	Y16 L17 S23 S24	Y16-S20 VanDerWaalsContact O-CB 3.23Å; Y16-S20 WeakPolarHBondContact O-CB 3.24Å; Y16-S20 PolarHBondContact O-N 3.36Å; L17-S20 CarbonylContact O-C 3.56Å; L17-S20 WeakPolarHBondContact O-CB 3.44Å; L17-S20 PolarHBondContact O-N 2.81Å; L17-S20 VanDerWaalsContact O-N 3.13Å; S20-S23 PolarHBondContact O-OG 2.93Å; S20-S24 VanDerWaalsContact O-CB 3.28Å; S20-S24 WeakPolarHBondContact O-CB 3.46Å; S20-S24 PolarHBondContact O-N 2.86Å; S20-S24 PolarHBondContact O-OG 2.79Å
21	I	64.8	Low	71.4	Confident	100 Å²	100	101.8 Å²	101.8	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-69.9	-42	173.7	-68.7	161.9	0	0	0	110.5	L17 Y18 S24 S25	L17-I21 WeakPolarHBondContact O-CB 3.44Å; L17-I21 WeakPolarHBondContact O-CD1 3.46Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.13Å; Y18-I21 PolarHBondContact O-N 2.88Å; I21-S24 WeakPolarHBondContact CA-OG 3.21Å; I21-S24 PolarHBondContact O-OG 3.4Å; I21-S24 VanDerWaalsContact O-OG 3.05Å; I21-S25 VanDerWaalsContact O-CB 3.26Å; I21-S25 WeakPolarHBondContact O-CB 3.26Å; I21-S25 PolarHBondContact O-N 2.93Å
22	L	61.8	Low	72	Confident	81 Å²	81	99.5 Å²	99.5	42%	0.424	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-41.8	174	-77.4	169.8	0	0	0	112.7	Y18 S25 Y26	Y18-L22 HydrophobicContact CD1-CD1 3.78Å; Y18-L22 HydrophobicContact CE1-CD1 3.48Å; Y18-L22 VanDerWaalsContact CE1-CD1 3.48Å; Y18-L22 HydrophobicContact CE1-CG 4.38Å; Y18-L22 WeakPolarHBondContact O-CB 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.3Å; Y18-L22 PolarHBondContact O-N 3.48Å; L22-S25 PolarHBondContact O-N 2.91Å; L22-Y26 PolarHBondContact O-N 2.83Å
23	S	64.7	Low	72.6	Confident	59 Å²	59	103 Å²	103	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-69.2	-40.5	178	70.8	0	0	0	0	111.7	H19 S20 Y26 I27	H19-S23 VanDerWaalsContact O-CB 3.3Å; H19-S23 WeakPolarHBondContact O-CB 3.31Å; H19-S23 PolarHBondContact O-N 3.05Å; H19-S23 PolarHBondContact O-OG 3.31Å; S20-S23 PolarHBondContact O-OG 2.93Å; S23-Y26 PolarHBondContact O-N 2.87Å; S23-I27 WeakPolarHBondContact O-CB 3.41Å; S23-I27 WeakPolarHBondContact O-CD1 3.28Å; S23-I27 WeakPolarHBondContact O-CG1 3.39Å; S23-I27 PolarHBondContact O-N 2.72Å
24	S	67.5	Low	73	Confident	50 Å²	50	104.3 Å²	104.3	35%	0.35	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-37.3	172.5	55.8	0	0	0	0	112.2	S20 I21 I27 I28	S20-S24 VanDerWaalsContact O-CB 3.28Å; S20-S24 WeakPolarHBondContact O-CB 3.46Å; S20-S24 PolarHBondContact O-N 2.86Å; S20-S24 PolarHBondContact O-OG 2.79Å; I21-S24 WeakPolarHBondContact CA-OG 3.21Å; I21-S24 PolarHBondContact O-OG 3.4Å; I21-S24 VanDerWaalsContact O-OG 3.05Å; S24-I27 PolarHBondContact O-N 3.32Å; S24-I28 WeakPolarHBondContact O-CB 3.26Å; S24-I28 WeakPolarHBondContact O-CD1 3.32Å; S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.37Å
25	S	74.3	Confident	73.1	Confident	71 Å²	71	105.9 Å²	105.9	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-43.4	172	-174.5	0	0	0	0	112.4	I21 L22 I28 Y29	I21-S25 VanDerWaalsContact O-CB 3.26Å; I21-S25 WeakPolarHBondContact O-CB 3.26Å; I21-S25 PolarHBondContact O-N 2.93Å; L22-S25 PolarHBondContact O-N 2.91Å; S25-I28 PolarHBondContact O-N 3.19Å; S25-Y29 PolarHBondContact O-N 3.17Å
26	Y	76.6	Confident	73	Confident	155 Å²	155	103.1 Å²	103.1	61%	0.608	50%	0.503	S	S	*	.	H	α-helix	trans	-69.4	-36.3	176.6	-166.6	-109	0	0	0	112.7	L22 S23 Y29 I30	L22-Y26 PolarHBondContact O-N 2.83Å; S23-Y26 PolarHBondContact O-N 2.87Å; Y26-Y29 PolarHBondContact O-N 3.41Å; Y26-I30 HydrophobicContact CD1-CD1 3.84Å; Y26-I30 HydrophobicContact CE1-CD1 3.49Å; Y26-I30 VanDerWaalsContact CE1-CD1 3.49Å; Y26-I30 HydrophobicContact CE1-CG1 4.3Å; Y26-I30 WeakPolarHBondContact O-CG1 3.36Å; Y26-I30 PolarHBondContact O-N 2.88Å
27	I	76.1	Confident	73	Confident	94 Å²	94	100.5 Å²	100.5	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-41.6	171.5	-71.5	164.1	0	0	0	110.4	S23 S24 Y29 I30 I31	S23-I27 WeakPolarHBondContact O-CB 3.41Å; S23-I27 WeakPolarHBondContact O-CD1 3.28Å; S23-I27 WeakPolarHBondContact O-CG1 3.39Å; S23-I27 PolarHBondContact O-N 2.72Å; S24-I27 PolarHBondContact O-N 3.32Å; I27-Y29 VanDerWaalsContact C-N 3.33Å; I27-Y29 PolarHBondContact O-N 3.32Å; I27-I30 PolarHBondContact O-N 3.5Å; I27-I31 HydrophobicContact CG2-CD1 3.71Å; I27-I31 HydrophobicContact CG2-CG1 4.35Å; I27-I31 WeakPolarHBondContact O-CB 3.27Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.49Å; I27-I31 PolarHBondContact O-N 2.78Å
28	I	78.6	Confident	72.6	Confident	93 Å²	93	101.8 Å²	101.8	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-40.1	173.5	-73.3	162.6	0	0	0	110.5	S24 S25 I31 L32	S24-I28 WeakPolarHBondContact O-CB 3.26Å; S24-I28 WeakPolarHBondContact O-CD1 3.32Å; S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.37Å; S25-I28 PolarHBondContact O-N 3.19Å; I28-I31 PolarHBondContact O-N 3.37Å; I28-L32 HydrophobicContact CG2-CD1 3.79Å; I28-L32 HydrophobicContact CG2-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 VanDerWaalsContact O-CG 3.26Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 2.78Å
29	Y	80.4	Confident	72.1	Confident	155 Å²	155	98.7 Å²	98.7	61%	0.608	49%	0.489	S	S	*	.	H	α-helix	trans	-65	-43.7	174.5	-176	-96.3	0	0	0	112.2	S25 Y26 I27 L32 Y33	S25-Y29 PolarHBondContact O-N 3.17Å; Y26-Y29 PolarHBondContact O-N 3.41Å; I27-Y29 VanDerWaalsContact C-N 3.33Å; I27-Y29 PolarHBondContact O-N 3.32Å; Y29-L32 PolarHBondContact O-N 3.41Å; Y29-Y33 VanDerWaalsContact O-CB 3.27Å; Y29-Y33 WeakPolarHBondContact O-CB 3.17Å; Y29-Y33 PolarHBondContact O-N 2.83Å
30	I	79.3	Confident	71.6	Confident	70 Å²	70	99.9 Å²	99.9	36%	0.359	50%	0.497	S	S	.	.	H	α-helix	trans	-64	-42	174.5	-73.9	175.5	0	0	0	111.1	Y26 I27 Y33 L34	Y26-I30 HydrophobicContact CD1-CD1 3.84Å; Y26-I30 HydrophobicContact CE1-CD1 3.49Å; Y26-I30 VanDerWaalsContact CE1-CD1 3.49Å; Y26-I30 HydrophobicContact CE1-CG1 4.3Å; Y26-I30 WeakPolarHBondContact O-CG1 3.36Å; Y26-I30 PolarHBondContact O-N 2.88Å; I27-I30 PolarHBondContact O-N 3.5Å; I30-Y33 PolarHBondContact O-N 2.83Å; I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.26Å; I30-L34 VanDerWaalsContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CB 3.48Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.72Å
31	I	79.3	Confident	71.1	Confident	94 Å²	94	104.2 Å²	104.2	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-49.4	174.7	-71.5	168.5	0	0	0	109.5	I27 I28 Y33 L34 F35	I27-I31 HydrophobicContact CG2-CD1 3.71Å; I27-I31 HydrophobicContact CG2-CG1 4.35Å; I27-I31 WeakPolarHBondContact O-CB 3.27Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.49Å; I27-I31 PolarHBondContact O-N 2.78Å; I28-I31 PolarHBondContact O-N 3.37Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 2.84Å; I31-L34 PolarHBondContact O-N 3.31Å; I31-F35 WeakPolarHBondContact O-CA 3.37Å; I31-F35 WeakPolarHBondContact O-CB 3.27Å; I31-F35 PolarHBondContact O-N 3.39Å
32	L	81.9	Confident	70.4	Confident	95 Å²	95	107.6 Å²	107.6	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-34.9	177.9	-74.4	170.5	0	0	0	112.6	I28 Y29 N36	I28-L32 HydrophobicContact CG2-CD1 3.79Å; I28-L32 HydrophobicContact CG2-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 VanDerWaalsContact O-CG 3.26Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 2.78Å; Y29-L32 PolarHBondContact O-N 3.41Å; L32-N36 VanDerWaalsContact O-CB 3.23Å; L32-N36 WeakPolarHBondContact O-CB 3.29Å; L32-N36 PolarHBondContact O-N 2.8Å; L32-N36 PolarHBondContact O-ND2 3.3Å
33	Y	81.6	Confident	69.4	Low	135 Å²	135	112 Å²	112	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-70.6	-45.3	174.8	177	-106	0	0	0	111.7	Y29 I30 I31 K37	Y29-Y33 VanDerWaalsContact O-CB 3.27Å; Y29-Y33 WeakPolarHBondContact O-CB 3.17Å; Y29-Y33 PolarHBondContact O-N 2.83Å; I30-Y33 PolarHBondContact O-N 2.83Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 2.84Å; Y33-K37 VanDerWaalsContact O-CB 3.28Å; Y33-K37 WeakPolarHBondContact O-CB 3.08Å; Y33-K37 PolarHBondContact O-N 2.82Å
34	L	78.5	Confident	68.5	Low	98 Å²	98	117.9 Å²	117.9	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-66	-36.8	174.8	-72.2	175.1	0	0	0	111.9	I30 I31 K37 F38	I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.26Å; I30-L34 VanDerWaalsContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CB 3.48Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.72Å; I31-L34 PolarHBondContact O-N 3.31Å; L34-K37 CarbonylContact O-C 3.49Å; L34-K37 PolarHBondContact O-N 3.49Å; L34-F38 WeakPolarHBondContact O-CB 3.42Å; L34-F38 PolarHBondContact O-N 2.76Å
35	F	75.4	Confident	67.7	Low	133 Å²	133	119.7 Å²	119.7	58%	0.583	55%	0.552	S	S	*	*	H	α-helix	trans	-76.3	-37.3	-180	-154.3	-101.5	0	0	0	111.3	I31 F38 I39	I31-F35 WeakPolarHBondContact O-CA 3.37Å; I31-F35 WeakPolarHBondContact O-CB 3.27Å; I31-F35 PolarHBondContact O-N 3.39Å; F35-F38 PolarHBondContact O-N 3.19Å; F35-I39 HydrophobicContact CD1-CD1 3.56Å; F35-I39 HydrophobicContact CD1-CG1 4.3Å; F35-I39 HydrophobicContact CE1-CD1 3.74Å; F35-I39 HydrophobicContact CE1-CG1 4.45Å; F35-I39 WeakPolarHBondContact O-CB 3.43Å; F35-I39 VanDerWaalsContact O-CG1 3.24Å; F35-I39 WeakPolarHBondContact O-CG1 3.24Å; F35-I39 PolarHBondContact O-N 3.23Å
36	N	72.6	Confident	66.7	Low	86 Å²	86	121 Å²	121	46%	0.46	55%	0.554	S	S	.	*	H	α-helix	trans	-62.5	-46.4	165.4	-86.7	-72.9	0	0	0	110.8	L32 F38 I39 I40	L32-N36 VanDerWaalsContact O-CB 3.23Å; L32-N36 WeakPolarHBondContact O-CB 3.29Å; L32-N36 PolarHBondContact O-N 2.8Å; L32-N36 PolarHBondContact O-ND2 3.3Å; N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.38Å; N36-I39 PolarHBondContact O-N 3.22Å; N36-I40 HydrophobicContact CB-CD1 4.35Å; N36-I40 VanDerWaalsContact O-CB 3.29Å; N36-I40 WeakPolarHBondContact O-CB 3.18Å; N36-I40 WeakPolarHBondContact O-CD1 3.12Å; N36-I40 WeakPolarHBondContact O-CG1 3.29Å; N36-I40 PolarHBondContact O-N 3.23Å
37	K	70	Confident	66	Low	122 Å²	122	118 Å²	118	53%	0.53	56%	0.561	S	S	.	*	H	α-helix	trans	-64.7	-31	177.7	-160.9	176.6	-175.8	-175.7	0	112	Y33 L34 H41	Y33-K37 VanDerWaalsContact O-CB 3.28Å; Y33-K37 WeakPolarHBondContact O-CB 3.08Å; Y33-K37 PolarHBondContact O-N 2.82Å; L34-K37 CarbonylContact O-C 3.49Å; L34-K37 PolarHBondContact O-N 3.49Å; K37-H41 WeakPolarHBondContact O-CB 3.28Å; K37-H41 PolarHBondContact O-N 3.34Å
38	F	61.7	Low	65.9	Low	139 Å²	139	114 Å²	114	61%	0.61	54%	0.541	S	S	*	.	H	α-helix	trans	-67.4	-55.1	169.7	-125.2	-95.8	0	0	0	110.5	L34 F35 N36 I40 H41 Y42	L34-F38 WeakPolarHBondContact O-CB 3.42Å; L34-F38 PolarHBondContact O-N 2.76Å; F35-F38 PolarHBondContact O-N 3.19Å; N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.38Å; F38-I40 PolarHBondContact O-N 2.81Å; F38-H41 CarbonylContact O-C 3.53Å; F38-H41 PolarHBondContact O-N 3.39Å; F38-Y42 HydrophobicContact CD1-CD2 4.2Å; F38-Y42 HydrophobicContact CE1-CD2 4.02Å; F38-Y42 HydrophobicContact CE1-CE2 4.29Å; F38-Y42 WeakPolarHBondContact O-CB 3.37Å; F38-Y42 PolarHBondContact O-N 2.75Å
39	I	60	Low	65.6	Low	79 Å²	79	116.2 Å²	116.2	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-55.4	-49.5	179.8	-72.1	166.2	0	0	0	111.2	F35 N36 H41 Y42 Y43	F35-I39 HydrophobicContact CD1-CD1 3.56Å; F35-I39 HydrophobicContact CD1-CG1 4.3Å; F35-I39 HydrophobicContact CE1-CD1 3.74Å; F35-I39 HydrophobicContact CE1-CG1 4.45Å; F35-I39 WeakPolarHBondContact O-CB 3.43Å; F35-I39 VanDerWaalsContact O-CG1 3.24Å; F35-I39 WeakPolarHBondContact O-CG1 3.24Å; F35-I39 PolarHBondContact O-N 3.23Å; N36-I39 PolarHBondContact O-N 3.22Å; I39-H41 PolarHBondContact O-N 3.01Å; I39-Y42 PolarHBondContact O-N 2.8Å; I39-Y43 WeakPolarHBondContact O-CA 3.38Å; I39-Y43 PolarHBondContact O-N 3.38Å
40	I	55.8	Low	65.4	Low	118 Å²	118	110.1 Å²	110.1	61%	0.605	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-30.8	178.5	-66.8	164.1	0	0	0	111.6	N36 F38	N36-I40 HydrophobicContact CB-CD1 4.35Å; N36-I40 VanDerWaalsContact O-CB 3.29Å; N36-I40 WeakPolarHBondContact O-CB 3.18Å; N36-I40 WeakPolarHBondContact O-CD1 3.12Å; N36-I40 WeakPolarHBondContact O-CG1 3.29Å; N36-I40 PolarHBondContact O-N 3.23Å; F38-I40 PolarHBondContact O-N 2.81Å
41	H	53.1	Low	65.7	Low	161 Å²	161	107.5 Å²	107.5	75%	0.745	53%	0.526	S	S	*	.	H	α-helix	trans	-98.2	-0.9	-178.4	-149.5	-49.4	0	0	0	114	K37 F38 I39	K37-H41 WeakPolarHBondContact O-CB 3.28Å; K37-H41 PolarHBondContact O-N 3.34Å; F38-H41 CarbonylContact O-C 3.53Å; F38-H41 PolarHBondContact O-N 3.39Å; I39-H41 PolarHBondContact O-N 3.01Å
42	Y	50	Low	66.1	Low	171 Å²	171	106.4 Å²	106.4	67%	0.671	53%	0.526	S	S	*	.	H	α-helix	trans	-128.4	-18.3	-175.3	-147.7	-84.9	0	0	0	113.2	F38 I39	F38-Y42 HydrophobicContact CD1-CD2 4.2Å; F38-Y42 HydrophobicContact CE1-CD2 4.02Å; F38-Y42 HydrophobicContact CE1-CE2 4.29Å; F38-Y42 WeakPolarHBondContact O-CB 3.37Å; F38-Y42 PolarHBondContact O-N 2.75Å; I39-Y42 PolarHBondContact O-N 2.8Å
43	Y	41.1	Very low	66.2	Low	174 Å²	174	103.1 Å²	103.1	68%	0.682	51%	0.509	S	S	*	.	S	Bend	trans	-142.8	65.5	-177.7	-89.7	-79.9	0	0	0	112.6	I39	I39-Y43 WeakPolarHBondContact O-CA 3.38Å; I39-Y43 PolarHBondContact O-N 3.38Å
44	Y	44.9	Very low	66.1	Low	182 Å²	182	100.3 Å²	100.3	71%	0.714	50%	0.502	S	S	*	.			trans	-131.2	101.5	139	-103.4	-89.9	0	0	0	108.6	D46	Y44-D46 VanDerWaalsContact C-N 3.33Å; Y44-D46 WeakPolarHBondContact CD1-OD1 3.09Å; Y44-D46 PolarHBondContact O-N 3.18Å
45	V	51.5	Low	65.8	Low	88 Å²	88	101.1 Å²	101.1	53%	0.533	50%	0.499	S	S	.	.			trans	-81.5	94.9	150.7	179.4	0	0	0	0	104	A47 Y55	V45-A47 PolarHBondContact O-N 3.11Å; V45-A47 VanDerWaalsContact O-N 3.11Å; V45-Y55 HydrophobicContact CG1-CE2 4.25Å; V45-Y55 HydrophobicContact CG2-CE2 4.04Å
46	D	53	Low	65.2	Low	99 Å²	99	99.8 Å²	99.8	53%	0.529	50%	0.495	S	S	.	.			trans	-55.7	120.2	168.1	-71.3	-38.7	0	0	0	107.5	Y44 V48	Y44-D46 VanDerWaalsContact C-N 3.33Å; Y44-D46 WeakPolarHBondContact CD1-OD1 3.09Å; Y44-D46 PolarHBondContact O-N 3.18Å; D46-V48 VanDerWaalsContact C-N 3.35Å; D46-V48 PolarHBondContact O-N 3.41Å
47	A	60.6	Low	64.6	Low	92 Å²	92	103.4 Å²	103.4	76%	0.76	51%	0.514	S	S	*	.			trans	-68.8	96.5	178.2	0	0	0	0	0	107.8	V45 D49	V45-A47 PolarHBondContact O-N 3.11Å; V45-A47 VanDerWaalsContact O-N 3.11Å; A47-D49 PolarHBondContact O-N 3.11Å; A47-D49 VanDerWaalsContact O-N 3.11Å
48	V	74	Confident	64.2	Low	11 Å²	11	101.6 Å²	101.6	7%	0.067	51%	0.509	C	S	.	.			trans	-68.4	110.1	177.6	-176.6	0	0	0	0	107.8	D46 G50 C51 I53 P77 N79 L80	D46-V48 VanDerWaalsContact C-N 3.35Å; D46-V48 PolarHBondContact O-N 3.41Å; V48-G50 PolarHBondContact O-N 2.85Å; V48-G50 VanDerWaalsContact O-N 3.1Å; V48-C51 HydrophobicContact CB-CB 4.08Å; V48-C51 HydrophobicContact CG1-CB 3.87Å; V48-C51 PolarHBondContact O-N 3.44Å; V48-I53 HydrophobicContact CB-CD1 4.36Å; V48-I53 HydrophobicContact CB-CG1 4.47Å; V48-I53 HydrophobicContact CG2-CD1 4.01Å; V48-I53 HydrophobicContact CG2-CG1 3.97Å; V48-P77 HydrophobicContact CG1-CB 3.53Å; V48-P77 HydrophobicContact CG1-CG 4.08Å; V48-N79 WeakPolarHBondContact CG2-O 3.37Å; V48-L80 HydrophobicContact CG1-CD2 4.06Å; V48-L80 HydrophobicContact CG1-CG 4.5Å
49	D	72.4	Confident	63.9	Low	139 Å²	139	102.9 Å²	102.9	74%	0.743	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	119.3	-176.8	-79.7	-46.3	0	0	0	111.5	A47	A47-D49 PolarHBondContact O-N 3.11Å; A47-D49 VanDerWaalsContact O-N 3.11Å
50	G	77.6	Confident	63.6	Low	27 Å²	27	107.3 Å²	107.3	28%	0.278	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	1.7	-179.1	0	0	0	0	0	116.5	V48 C66	V48-G50 PolarHBondContact O-N 2.85Å; V48-G50 VanDerWaalsContact O-N 3.1Å; G50-C66 WeakPolarHBondContact O-CA 3.43Å
51	C	85.6	Confident	63.7	Low	15 Å²	15	107.9 Å²	107.9	10%	0.101	53%	0.526	C	S	.	.			trans	-129.6	128.4	-177.3	-58.7	0	0	0	0	114.1	V48 I53 I65 C66	V48-C51 HydrophobicContact CB-CB 4.08Å; V48-C51 HydrophobicContact CG1-CB 3.87Å; V48-C51 PolarHBondContact O-N 3.44Å; C51-I53 HydrophobicContact CB-CD1 4.49Å; C51-I65 CarbonylContact C-O 3.57Å; C51-I65 WeakPolarHBondContact CA-O 3.42Å; C51-C66 HydrophobicContact CB-CB 4.07Å; C51-C66 WeakPolarHBondContact CB-SG 3.31Å; C51-C66 WeakPolarHBondContact SG-CB 3.46Å; C51-C66 CovalentContact SG-SG 2.03Å; C51-C66 PolarHBondContact SG-SG 2.76Å
52	S	86.2	Confident	64.9	Low	71 Å²	71	103 Å²	103	50%	0.497	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.1	168.4	-63.9	0	0	0	0	110.9	A64 I65	S52-A64 WeakPolarHBondContact O-CA 3.49Å; S52-I65 PolarHBondContact N-O 2.92Å; S52-I65 PolarHBondContact O-N 3.1Å
53	I	83.9	Confident	66.6	Low	26 Å²	26	97.7 Å²	97.7	13%	0.133	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.2	174.8	-49.3	-57.4	0	0	0	110	V48 C51 Y55 A64 L80 P81	V48-I53 HydrophobicContact CB-CD1 4.36Å; V48-I53 HydrophobicContact CB-CG1 4.47Å; V48-I53 HydrophobicContact CG2-CD1 4.01Å; V48-I53 HydrophobicContact CG2-CG1 3.97Å; C51-I53 HydrophobicContact CB-CD1 4.49Å; I53-Y55 HydrophobicContact CB-CE2 3.98Å; I53-Y55 HydrophobicContact CG2-CD2 4.13Å; I53-Y55 HydrophobicContact CG2-CE2 3.47Å; I53-Y55 VanDerWaalsContact CG2-CE2 3.47Å; I53-A64 HydrophobicContact CD1-CB 3.62Å; I53-L80 HydrophobicContact CD1-CD2 4.17Å; I53-P81 HydrophobicContact CD1-CG 4.44Å; I53-P81 HydrophobicContact CG2-CG 4.1Å
54	I	80.1	Confident	69	Low	76 Å²	76	89.4 Å²	89.4	39%	0.39	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.7	-178.2	-58.2	174.4	0	0	0	109.4	K62 K63 I65	I54-K62 WeakPolarHBondContact O-CA 3.39Å; I54-K63 HydrophobicContact CB-CB 4.31Å; I54-K63 HydrophobicContact CD1-CD 4.48Å; I54-K63 PolarHBondContact N-O 2.9Å; I54-K63 PolarHBondContact O-N 3.26Å; I54-I65 HydrophobicContact CD1-CD1 3.67Å; I54-I65 HydrophobicContact CD1-CG1 4.2Å
55	Y	71.7	Confident	71.1	Confident	115 Å²	115	82.4 Å²	82.4	45%	0.451	43%	0.425	S	S	.	.			trans	-111.4	134.8	177.7	-58.5	-111.6	0	0	0	108.5	V45 I53 K62	V45-Y55 HydrophobicContact CG1-CE2 4.25Å; V45-Y55 HydrophobicContact CG2-CE2 4.04Å; I53-Y55 HydrophobicContact CB-CE2 3.98Å; I53-Y55 HydrophobicContact CG2-CD2 4.13Å; I53-Y55 HydrophobicContact CG2-CE2 3.47Å; I53-Y55 VanDerWaalsContact CG2-CE2 3.47Å; Y55-K62 HydrophobicContact CD1-CD 4.49Å; Y55-K62 HydrophobicContact CD1-CG 4.17Å; Y55-K62 HydrophobicContact CE1-CD 4.09Å; Y55-K62 HydrophobicContact CE1-CG 4.26Å
56	Q	64.5	Low	73	Confident	104 Å²	104	78.2 Å²	78.2	49%	0.486	40%	0.4	S	S	.	.			trans	-116.9	143.3	179.6	-171.2	170.4	-28.8	0	0	110.7	D58 F59	Q56-D58 PolarHBondContact NE2-OD2 3.45Å; Q56-D58 PolarHBondContact O-N 3.49Å; Q56-D58 VanDerWaalsContact O-N 3.14Å; Q56-F59 PolarHBondContact O-N 3.34Å
57	L	58.8	Low	74.7	Confident	163 Å²	163	77.6 Å²	77.6	85%	0.853	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	-169.9	-75	132.9	0	0	0	114.7	F59	L57-F59 WeakPolarHBondContact O-CD2 3.45Å; L57-F59 PolarHBondContact O-N 3.27Å; L57-F59 VanDerWaalsContact O-N 3.09Å
58	D	62	Low	75.8	Confident	83 Å²	83	74.8 Å²	74.8	44%	0.444	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	9.1	-175.2	-49.3	-61.7	0	0	0	114.2	Q56 K60 Q853	Q56-D58 PolarHBondContact NE2-OD2 3.45Å; Q56-D58 PolarHBondContact O-N 3.49Å; Q56-D58 VanDerWaalsContact O-N 3.14Å; D58-K60 PolarHBondContact O-N 2.62Å; D58-Q853 PolarHBondContact OD2-NE2 3.27Å
59	F	54.4	Low	76.1	Confident	166 Å²	166	83 Å²	83	73%	0.728	41%	0.409	S	S	*	.			trans	55.1	4.3	-174.6	-69.7	-90.1	0	0	0	116.4	Q56 L57 W61	Q56-F59 PolarHBondContact O-N 3.34Å; L57-F59 WeakPolarHBondContact O-CD2 3.45Å; L57-F59 PolarHBondContact O-N 3.27Å; L57-F59 VanDerWaalsContact O-N 3.09Å; F59-W61 VanDerWaalsContact O-CD2 3.32Å; F59-W61 VanDerWaalsContact O-CE2 3.29Å; F59-W61 PolarHBondContact O-N 3.26Å; F59-W61 PolarHBondContact O-NE1 2.91Å
60	K	54.6	Low	76.3	Confident	172 Å²	172	84 Å²	84	75%	0.748	41%	0.413	S	S	*	.			trans	-78	56	173.9	-70.1	-176.3	177.5	178.1	0	112.6	D58	D58-K60 PolarHBondContact O-N 2.62Å
61	W	58.4	Low	76.2	Confident	131 Å²	131	88.8 Å²	88.8	50%	0.496	43%	0.432	S	S	.	.			trans	44.4	93.2	151.1	-42.6	100.6	0	0	0	119	F59 N83 I85	F59-W61 VanDerWaalsContact O-CD2 3.32Å; F59-W61 VanDerWaalsContact O-CE2 3.29Å; F59-W61 PolarHBondContact O-N 3.26Å; F59-W61 PolarHBondContact O-NE1 2.91Å; W61-N83 WeakPolarHBondContact CB-O 3.24Å; W61-N83 HydrophobicContact CD2-CB 4.3Å; W61-N83 HydrophobicContact CE3-CB 3.67Å; W61-N83 HydrophobicContact CZ3-CB 4.31Å; W61-N83 WeakPolarHBondContact CZ3-ND2 3.45Å; W61-I85 HydrophobicContact CB-CD1 3.76Å; W61-I85 HydrophobicContact CB-CG1 4Å; W61-I85 HydrophobicContact CG-CD1 4.42Å; W61-I85 VanDerWaalsContact O-CB 3.28Å; W61-I85 WeakPolarHBondContact O-CB 3.34Å; W61-I85 WeakPolarHBondContact O-CG1 3.32Å; W61-I85 PolarHBondContact O-N 3.21Å
62	K	76.6	Confident	76.3	Confident	59 Å²	59	93 Å²	93	26%	0.257	45%	0.449	S	S	.	.			trans	41.1	121.2	146.2	-47.7	-177.4	-176.1	-175.9	0	118.3	I54 Y55 P81 N83 L84 I85	I54-K62 WeakPolarHBondContact O-CA 3.39Å; Y55-K62 HydrophobicContact CD1-CD 4.49Å; Y55-K62 HydrophobicContact CD1-CG 4.17Å; Y55-K62 HydrophobicContact CE1-CD 4.09Å; Y55-K62 HydrophobicContact CE1-CG 4.26Å; K62-P81 HydrophobicContact CD-CB 3.54Å; K62-P81 HydrophobicContact CD-CG 4.04Å; K62-N83 WeakPolarHBondContact CB-O 3.08Å; K62-L84 HydrophobicContact CB-CD1 3.97Å; K62-L84 WeakPolarHBondContact O-CA 3.05Å; K62-L84 VanDerWaalsContact O-CD1 3.3Å; K62-L84 WeakPolarHBondContact O-CD1 3.3Å; K62-I85 PolarHBondContact O-N 3.18Å
63	K	87.4	Confident	76.4	Confident	59 Å²	59	90.9 Å²	90.9	26%	0.257	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.5	168.2	170.2	174.5	-171	148	0	110.1	I54 I65 E86	I54-K63 HydrophobicContact CB-CB 4.31Å; I54-K63 HydrophobicContact CD1-CD 4.48Å; I54-K63 PolarHBondContact N-O 2.9Å; I54-K63 PolarHBondContact O-N 3.26Å; K63-I65 HydrophobicContact CG-CG1 4.31Å; K63-E86 CarbonylContact C-O 3.5Å; K63-E86 WeakPolarHBondContact CA-O 3.22Å; K63-E86 HydrophobicContact CB-CB 4.32Å; K63-E86 HydrophobicContact CD-CG 4.47Å; K63-E86 VanDerWaalsContact CD-OE2 3.27Å; K63-E86 WeakPolarHBondContact CD-OE2 3.45Å; K63-E86 VanDerWaalsContact CE-OE1 3.26Å; K63-E86 WeakPolarHBondContact CE-OE1 3.32Å; K63-E86 WeakPolarHBondContact CE-OE2 3.46Å; K63-E86 HydrophobicContact CG-CB 4.08Å; K63-E86 HydrophobicContact CG-CG 4.29Å; K63-E86 IonicContact NZ-OE1 3.17Å; K63-E86 PolarHBondContact NZ-OE1 3.35Å; K63-E86 IonicContact NZ-OE2 2.71Å; K63-E86 PolarHBondContact NZ-OE2 3.43Å
64	A	89.8	Confident	76.6	Confident	0 Å²	0	98 Å²	98	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.4	171.7	0	0	0	0	0	110.3	S52 I53 L80 L84 E86 L87 R88	S52-A64 WeakPolarHBondContact O-CA 3.49Å; I53-A64 HydrophobicContact CD1-CB 3.62Å; A64-L80 HydrophobicContact CB-CD2 3.94Å; A64-L84 HydrophobicContact CB-CD1 3.82Å; A64-L84 HydrophobicContact CB-CD2 3.91Å; A64-L84 HydrophobicContact CB-CG 4.46Å; A64-E86 PolarHBondContact N-O 3.42Å; A64-L87 HydrophobicContact CB-CD1 3.88Å; A64-R88 PolarHBondContact O-N 3.31Å
65	I	90.5	Very high	77.1	Confident	35 Å²	35	100.1 Å²	100.1	18%	0.179	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.9	173.9	-49.9	-177.9	0	0	0	108.5	C51 S52 I54 K63 D67 R88	C51-I65 CarbonylContact C-O 3.57Å; C51-I65 WeakPolarHBondContact CA-O 3.42Å; S52-I65 PolarHBondContact N-O 2.92Å; S52-I65 PolarHBondContact O-N 3.1Å; I54-I65 HydrophobicContact CD1-CD1 3.67Å; I54-I65 HydrophobicContact CD1-CG1 4.2Å; K63-I65 HydrophobicContact CG-CG1 4.31Å; I65-D67 HydrophobicContact CG2-CB 4.17Å; I65-D67 WeakPolarHBondContact CG2-OD2 3.34Å; I65-R88 CarbonylContact C-O 3.52Å; I65-R88 WeakPolarHBondContact CA-O 3.15Å; I65-R88 HydrophobicContact CG1-CB 4.49Å; I65-R88 HydrophobicContact CG2-CB 4.33Å
66	C	91.3	Very high	78	Confident	0 Å²	0	94.9 Å²	94.9	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	84.7	-176.9	-49.9	0	0	0	0	109.3	G50 C51 L73 R88 I89 I90 Q92	G50-C66 WeakPolarHBondContact O-CA 3.43Å; C51-C66 HydrophobicContact CB-CB 4.07Å; C51-C66 WeakPolarHBondContact CB-SG 3.31Å; C51-C66 WeakPolarHBondContact SG-CB 3.46Å; C51-C66 CovalentContact SG-SG 2.03Å; C51-C66 PolarHBondContact SG-SG 2.76Å; C66-L73 HydrophobicContact CB-CD1 3.83Å; C66-R88 PolarHBondContact N-O 3.17Å; C66-I89 HydrophobicContact CB-CB 4.47Å; C66-I89 HydrophobicContact CB-CG1 4.15Å; C66-I89 HydrophobicContact CB-CG2 4.43Å; C66-I89 WeakPolarHBondContact O-CA 3.19Å; C66-I90 PolarHBondContact O-N 3.2Å; C66-Q92 WeakPolarHBondContact O-CG 3.49Å
67	D	88.5	Confident	79.1	Confident	85 Å²	85	90.7 Å²	90.7	46%	0.455	43%	0.432	S	S	.	.			trans	-127	12.6	-170.1	57.3	-6.6	0	0	0	113.2	I65 E69	I65-D67 HydrophobicContact CG2-CB 4.17Å; I65-D67 WeakPolarHBondContact CG2-OD2 3.34Å; D67-E69 PolarHBondContact O-N 2.03Å
68	S	83.5	Confident	80.3	Confident	33 Å²	33	88.8 Å²	88.8	23%	0.231	42%	0.421	C	S	.	.			trans	-57.6	121.6	-177.5	-173.3	0	0	0	0	113.1	Q92	S68-Q92 PolarHBondContact O-NE2 2.89Å
69	E	79.5	Confident	81.3	Confident	183 Å²	183	90.5 Å²	90.5	86%	0.855	43%	0.43	S	S	*	.	S	Bend	trans	-78.5	-33.2	174.9	-61.9	-173.4	155.9	0	0	112.7	D67 N71	D67-E69 PolarHBondContact O-N 2.03Å; E69-N71 PolarHBondContact O-N 2.92Å
70	L	76.4	Confident	82.9	Confident	160 Å²	160	82.9 Å²	82.9	84%	0.838	40%	0.397	S	S	*	.	S	Bend	trans	-66.4	-37.2	-171.9	-68.7	173	0	0	0	112.8
71	N	76.8	Confident	84.4	Confident	128 Å²	128	75.4 Å²	75.4	68%	0.684	37%	0.367	S	S	*	.	S	Bend	trans	-138.8	87.1	-177.9	-79.5	-41.1	0	0	0	109	E69 L73	E69-N71 PolarHBondContact O-N 2.92Å; N71-L73 PolarHBondContact O-N 3.39Å; N71-L73 VanDerWaalsContact O-N 3.17Å
72	K	86.5	Confident	85.7	Confident	105 Å²	105	72.5 Å²	72.5	46%	0.457	36%	0.364	S	S	.	.			trans	-57.3	120.1	176.2	-72.9	-159	175.3	-146	0	111.4	K74 H91 S93	K72-K74 PolarHBondContact O-N 3.4Å; K72-H91 WeakPolarHBondContact CE-O 3.42Å; K72-H91 PolarHBondContact NZ-O 2.78Å; K72-S93 WeakPolarHBondContact CD-OG 3.46Å
73	L	88	Confident	86.1	Confident	25 Å²	25	72 Å²	72	13%	0.131	36%	0.364	C	S	.	.			trans	-63.5	128.1	176.8	-65.7	172.7	0	0	0	110.6	C66 N71 P77 Q92 S93 I94	C66-L73 HydrophobicContact CB-CD1 3.83Å; N71-L73 PolarHBondContact O-N 3.39Å; N71-L73 VanDerWaalsContact O-N 3.17Å; L73-P77 HydrophobicContact CD1-CG 4.01Å; L73-P77 HydrophobicContact CD2-CG 4.17Å; L73-Q92 HydrophobicContact CB-CB 4.23Å; L73-Q92 HydrophobicContact CB-CG 4.21Å; L73-Q92 HydrophobicContact CD1-CG 4.46Å; L73-S93 CarbonylContact O-C 3.58Å; L73-S93 VanDerWaalsContact O-C 3.25Å; L73-S93 WeakPolarHBondContact O-CA 3.24Å; L73-S93 PolarHBondContact O-N 3.21Å; L73-I94 HydrophobicContact CB-CD1 4.4Å; L73-I94 HydrophobicContact CB-CG1 4.41Å; L73-I94 WeakPolarHBondContact O-CG1 3.49Å; L73-I94 PolarHBondContact O-N 2.85Å
74	K	89.9	Confident	86.2	Confident	176 Å²	176	69.1 Å²	69.1	77%	0.765	35%	0.352	S	S	*	.	S	Bend	trans	-94.1	-14.2	175.3	-63.3	179.2	-177.5	174.7	0	113.2	K72	K72-K74 PolarHBondContact O-N 3.4Å
75	Q	90	Very high	86.2	Confident	120 Å²	120	71.1 Å²	71.1	56%	0.561	36%	0.362	S	S	*	.	S	Bend	trans	-148.6	159.9	-180	67.7	-175.9	30	0	0	108.8
76	I	90.1	Very high	86.3	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	36%	0.362	C	S	.	.			trans	-69.9	133	173.8	-54.4	-174	0	0	0	108.4	I78 L80 L87 I89 I94 I97 L102 I113	I76-I78 PolarHBondContact O-N 2.92Å; I76-L80 HydrophobicContact CG2-CD1 3.68Å; I76-L87 HydrophobicContact CG2-CD2 4.42Å; I76-I89 HydrophobicContact CB-CD1 4.46Å; I76-I89 HydrophobicContact CD1-CD1 4.04Å; I76-I89 HydrophobicContact CG1-CD1 3.79Å; I76-I89 HydrophobicContact CG2-CD1 4.2Å; I76-I94 HydrophobicContact CG1-CD1 3.84Å; I76-I94 HydrophobicContact CG1-CG2 4.42Å; I76-I97 HydrophobicContact CD1-CG1 4.34Å; I76-I97 HydrophobicContact CD1-CG2 3.9Å; I76-L102 HydrophobicContact CD1-CD1 4.09Å; I76-L102 HydrophobicContact CD1-CD2 3.74Å; I76-L102 HydrophobicContact CD1-CG 3.9Å; I76-L102 HydrophobicContact CG2-CD2 4.29Å; I76-I113 HydrophobicContact CD1-CD1 4.11Å
77	P	88.4	Confident	86.4	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.104	36%	0.362	C	S	.	.			trans	-62.1	135.3	177.8	-27.7	38.6	0	0	0	112.3	V48 L73 N79 Y104	V48-P77 HydrophobicContact CG1-CB 3.53Å; V48-P77 HydrophobicContact CG1-CG 4.08Å; L73-P77 HydrophobicContact CD1-CG 4.01Å; L73-P77 HydrophobicContact CD2-CG 4.17Å; P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 3.47Å; P77-Y104 PolarHBondContact O-OH 2.63Å
78	I	83.8	Confident	86.7	Confident	123 Å²	123	71.4 Å²	71.4	63%	0.631	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.7	-175.9	-58.5	170.1	0	0	0	111.4	I76 L80 Y104	I76-I78 PolarHBondContact O-N 2.92Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.17Å; I78-Y104 PolarHBondContact O-OH 3.21Å
79	N	83.5	Confident	87.2	Confident	118 Å²	118	69.8 Å²	69.8	63%	0.631	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	23.8	-172.9	-57.8	-1.6	0	0	0	113	V48 P77	V48-N79 WeakPolarHBondContact CG2-O 3.37Å; P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 3.47Å
80	L	87.8	Confident	87.8	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	31%	0.311	C	S	.	.			trans	-67.1	143.9	175.8	-71.6	166.1	0	0	0	110.2	V48 I53 A64 I76 I78 L87 Y104 L105	V48-L80 HydrophobicContact CG1-CD2 4.06Å; V48-L80 HydrophobicContact CG1-CG 4.5Å; I53-L80 HydrophobicContact CD1-CD2 4.17Å; A64-L80 HydrophobicContact CB-CD2 3.94Å; I76-L80 HydrophobicContact CG2-CD1 3.68Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.17Å; L80-L87 HydrophobicContact CD1-CD1 3.94Å; L80-L87 HydrophobicContact CD1-CD2 3.96Å; L80-L87 HydrophobicContact CD2-CD1 4.31Å; L80-Y104 HydrophobicContact CB-CE2 4.23Å; L80-Y104 WeakPolarHBondContact O-CE2 3.37Å; L80-L105 HydrophobicContact CB-CD2 4.16Å; L80-L105 HydrophobicContact CD1-CD1 4.21Å
81	P	85.8	Confident	88.6	Confident	16 Å²	16	59.8 Å²	59.8	10%	0.104	30%	0.295	C	S	.	.			trans	-61.4	133	178.1	-23.2	33	0	0	0	111.9	I53 K62 N83 L84 L105	I53-P81 HydrophobicContact CD1-CG 4.44Å; I53-P81 HydrophobicContact CG2-CG 4.1Å; K62-P81 HydrophobicContact CD-CB 3.54Å; K62-P81 HydrophobicContact CD-CG 4.04Å; P81-N83 VanDerWaalsContact C-N 3.26Å; P81-N83 PolarHBondContact O-N 3.35Å; P81-L84 WeakPolarHBondContact O-CB 3.49Å; P81-L84 PolarHBondContact O-N 3.23Å; P81-L105 VanDerWaalsContact O-CD2 3.24Å; P81-L105 WeakPolarHBondContact O-CD2 3.42Å
82	P	85.7	Confident	89.4	Confident	69 Å²	69	53.8 Å²	53.8	45%	0.448	26%	0.262	S	S	.	.	S	Bend	trans	-63.2	-30.3	-178.3	22.7	-33.2	0	0	0	113.5	L84	P82-L84 PolarHBondContact O-N 3.14Å; P82-L84 VanDerWaalsContact O-N 3.14Å
83	N	85	Confident	89.7	Confident	48 Å²	48	49.7 Å²	49.7	26%	0.257	25%	0.247	S	C	.	.	S	Bend	trans	-87.6	52.3	176	-54	34.3	0	0	0	111	W61 K62 P81	W61-N83 WeakPolarHBondContact CB-O 3.24Å; W61-N83 HydrophobicContact CD2-CB 4.3Å; W61-N83 HydrophobicContact CE3-CB 3.67Å; W61-N83 HydrophobicContact CZ3-CB 4.31Å; W61-N83 WeakPolarHBondContact CZ3-ND2 3.45Å; K62-N83 WeakPolarHBondContact CB-O 3.08Å; P81-N83 VanDerWaalsContact C-N 3.26Å; P81-N83 PolarHBondContact O-N 3.35Å
84	L	88.8	Confident	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.			trans	-95.4	133.5	175.9	-157.9	75.7	0	0	0	110	K62 A64 P81 P82 L87 L105 H107 L108	K62-L84 HydrophobicContact CB-CD1 3.97Å; K62-L84 WeakPolarHBondContact O-CA 3.05Å; K62-L84 VanDerWaalsContact O-CD1 3.3Å; K62-L84 WeakPolarHBondContact O-CD1 3.3Å; A64-L84 HydrophobicContact CB-CD1 3.82Å; A64-L84 HydrophobicContact CB-CD2 3.91Å; A64-L84 HydrophobicContact CB-CG 4.46Å; P81-L84 WeakPolarHBondContact O-CB 3.49Å; P81-L84 PolarHBondContact O-N 3.23Å; P82-L84 PolarHBondContact O-N 3.14Å; P82-L84 VanDerWaalsContact O-N 3.14Å; L84-L87 HydrophobicContact CD2-CB 3.77Å; L84-L87 HydrophobicContact CD2-CD1 4.12Å; L84-L87 HydrophobicContact CD2-CG 4.38Å; L84-L105 HydrophobicContact CB-CD2 4.07Å; L84-L105 HydrophobicContact CD2-CD1 4.34Å; L84-H107 CarbonylContact O-C 3.5Å; L84-L108 HydrophobicContact CB-CD1 4.3Å; L84-L108 HydrophobicContact CD2-CD1 4.01Å; L84-L108 HydrophobicContact CG-CD1 4.23Å; L84-L108 VanDerWaalsContact O-CA 3.24Å; L84-L108 WeakPolarHBondContact O-CA 3.4Å; L84-L108 PolarHBondContact O-N 2.98Å; L84-L108 VanDerWaalsContact O-N 3.14Å
85	I	90.9	Very high	90	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.215	23%	0.225	C	C	.	.	S	Bend	trans	-100.7	-35.3	174.5	-73.8	179.5	0	0	0	112	W61 K62 E109 T110	W61-I85 HydrophobicContact CB-CD1 3.76Å; W61-I85 HydrophobicContact CB-CG1 4Å; W61-I85 HydrophobicContact CG-CD1 4.42Å; W61-I85 VanDerWaalsContact O-CB 3.28Å; W61-I85 WeakPolarHBondContact O-CB 3.34Å; W61-I85 WeakPolarHBondContact O-CG1 3.32Å; W61-I85 PolarHBondContact O-N 3.21Å; K62-I85 PolarHBondContact O-N 3.18Å; I85-E109 HydrophobicContact CG2-CB 3.98Å; I85-E109 HydrophobicContact CG2-CG 3.98Å; I85-E109 PolarHBondContact O-N 2.99Å; I85-T110 PolarHBondContact O-N 3.4Å
86	E	92.2	Very high	90.1	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.8	179.6	-175.5	-177.8	170.2	0	0	111.1	K63 A64 R88 T110	K63-E86 CarbonylContact C-O 3.5Å; K63-E86 WeakPolarHBondContact CA-O 3.22Å; K63-E86 HydrophobicContact CB-CB 4.32Å; K63-E86 HydrophobicContact CD-CG 4.47Å; K63-E86 VanDerWaalsContact CD-OE2 3.27Å; K63-E86 WeakPolarHBondContact CD-OE2 3.45Å; K63-E86 VanDerWaalsContact CE-OE1 3.26Å; K63-E86 WeakPolarHBondContact CE-OE1 3.32Å; K63-E86 WeakPolarHBondContact CE-OE2 3.46Å; K63-E86 HydrophobicContact CG-CB 4.08Å; K63-E86 HydrophobicContact CG-CG 4.29Å; K63-E86 IonicContact NZ-OE1 3.17Å; K63-E86 PolarHBondContact NZ-OE1 3.35Å; K63-E86 IonicContact NZ-OE2 2.71Å; K63-E86 PolarHBondContact NZ-OE2 3.43Å; A64-E86 PolarHBondContact N-O 3.42Å; E86-R88 HydrophobicContact CG-CG 4.36Å; E86-R88 WeakPolarHBondContact OE1-CD 3.44Å; E86-R88 IonicContact OE1-CZ 2.64Å; E86-R88 IonicContact OE1-NE 3.61Å; E86-R88 PolarHBondContact OE1-NE 3.06Å; E86-R88 IonicContact OE1-NH2 2.72Å; E86-T110 WeakPolarHBondContact CA-O 3.34Å; E86-T110 HydrophobicContact CG-CG2 4.03Å
87	L	94	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.9	172	179.2	55.6	0	0	0	109.1	A64 I76 L80 L84 I89 L102 L105 L108 T110 L111 T112	A64-L87 HydrophobicContact CB-CD1 3.88Å; I76-L87 HydrophobicContact CG2-CD2 4.42Å; L80-L87 HydrophobicContact CD1-CD1 3.94Å; L80-L87 HydrophobicContact CD1-CD2 3.96Å; L80-L87 HydrophobicContact CD2-CD1 4.31Å; L84-L87 HydrophobicContact CD2-CB 3.77Å; L84-L87 HydrophobicContact CD2-CD1 4.12Å; L84-L87 HydrophobicContact CD2-CG 4.38Å; L87-I89 HydrophobicContact CD1-CD1 4.46Å; L87-I89 HydrophobicContact CD1-CG1 4.09Å; L87-I89 HydrophobicContact CD2-CD1 4.33Å; L87-I89 HydrophobicContact CG-CD1 4.39Å; L87-I89 HydrophobicContact CG-CG1 4.14Å; L87-L102 HydrophobicContact CD2-CD2 3.7Å; L87-L105 HydrophobicContact CD2-CD1 4.12Å; L87-L108 HydrophobicContact CB-CD1 3.79Å; L87-L108 HydrophobicContact CB-CD2 4.35Å; L87-T110 PolarHBondContact N-O 3.11Å; L87-L111 HydrophobicContact CB-CD1 4.12Å; L87-L111 HydrophobicContact CD2-CD1 3.84Å; L87-L111 HydrophobicContact CG-CD1 4.1Å; L87-T112 PolarHBondContact O-N 2.92Å
88	R	94.1	Very high	90.2	Very high	86 Å²	86	47.4 Å²	47.4	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.8	169.7	-70.9	-176.1	168.4	-117.8	-12.2	110.1	A64 I65 C66 E86 I90 T112	A64-R88 PolarHBondContact O-N 3.31Å; I65-R88 CarbonylContact C-O 3.52Å; I65-R88 WeakPolarHBondContact CA-O 3.15Å; I65-R88 HydrophobicContact CG1-CB 4.49Å; I65-R88 HydrophobicContact CG2-CB 4.33Å; C66-R88 PolarHBondContact N-O 3.17Å; E86-R88 HydrophobicContact CG-CG 4.36Å; E86-R88 WeakPolarHBondContact OE1-CD 3.44Å; E86-R88 IonicContact OE1-CZ 2.64Å; E86-R88 IonicContact OE1-NE 3.61Å; E86-R88 PolarHBondContact OE1-NE 3.06Å; E86-R88 IonicContact OE1-NH2 2.72Å; R88-I90 HydrophobicContact CB-CD1 4.4Å; R88-I90 HydrophobicContact CB-CG1 4.4Å; R88-T112 CarbonylContact C-O 3.57Å; R88-T112 WeakPolarHBondContact CA-O 3.25Å
89	I	93.7	Very high	90.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121	169.7	-52.6	-174.1	0	0	0	106.2	C66 I76 L87 Q92 I94 T112 I113 E114	C66-I89 HydrophobicContact CB-CB 4.47Å; C66-I89 HydrophobicContact CB-CG1 4.15Å; C66-I89 HydrophobicContact CB-CG2 4.43Å; C66-I89 WeakPolarHBondContact O-CA 3.19Å; I76-I89 HydrophobicContact CB-CD1 4.46Å; I76-I89 HydrophobicContact CD1-CD1 4.04Å; I76-I89 HydrophobicContact CG1-CD1 3.79Å; I76-I89 HydrophobicContact CG2-CD1 4.2Å; L87-I89 HydrophobicContact CD1-CD1 4.46Å; L87-I89 HydrophobicContact CD1-CG1 4.09Å; L87-I89 HydrophobicContact CD2-CD1 4.33Å; L87-I89 HydrophobicContact CG-CD1 4.39Å; L87-I89 HydrophobicContact CG-CG1 4.14Å; I89-Q92 HydrophobicContact CG2-CB 3.88Å; I89-Q92 HydrophobicContact CG2-CG 3.49Å; I89-Q92 VanDerWaalsContact CG2-CG 3.49Å; I89-I94 HydrophobicContact CD1-CD1 3.85Å; I89-I94 HydrophobicContact CG2-CD1 3.75Å; I89-T112 PolarHBondContact N-O 3.21Å; I89-I113 HydrophobicContact CB-CG1 4.18Å; I89-I113 HydrophobicContact CB-CG2 4.45Å; I89-I113 HydrophobicContact CD1-CD1 4.37Å; I89-I113 HydrophobicContact CD1-CG1 4.19Å; I89-I113 HydrophobicContact CG1-CG1 4.34Å; I89-I113 CarbonylContact O-C 3.55Å; I89-I113 WeakPolarHBondContact O-CA 3.41Å; I89-E114 PolarHBondContact O-N 3.14Å
90	I	93.2	Very high	89.9	Confident	25 Å²	25	44.2 Å²	44.2	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.2	-171.1	-42.4	-177.4	0	0	0	109.7	C66 R88 Q92 E114	C66-I90 PolarHBondContact O-N 3.2Å; R88-I90 HydrophobicContact CB-CD1 4.4Å; R88-I90 HydrophobicContact CB-CG1 4.4Å; I90-Q92 WeakPolarHBondContact O-CG 3.45Å; I90-Q92 PolarHBondContact O-N 3.41Å; I90-Q92 VanDerWaalsContact O-N 3.14Å; I90-Q92 PolarHBondContact O-NE2 2.83Å; I90-E114 WeakPolarHBondContact CA-O 3.41Å; I90-E114 HydrophobicContact CG2-CB 4.33Å
91	H	92.1	Very high	89.8	Confident	108 Å²	108	44.8 Å²	44.8	50%	0.5	22%	0.224	S	C	.	.	S	Bend	trans	58.4	21.3	178.5	-59	121	0	0	0	115.5	K72 E114 S115	K72-H91 WeakPolarHBondContact CE-O 3.42Å; K72-H91 PolarHBondContact NZ-O 2.78Å; H91-E114 PolarHBondContact N-O 3.37Å; H91-E114 VanDerWaalsContact N-O 3.11Å; H91-S115 WeakPolarHBondContact CA-O 2.94Å; H91-S115 WeakPolarHBondContact CD2-CB 3.47Å
92	Q	93.3	Very high	90	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.219	C	C	.	.			trans	-82.7	-161.6	178.4	-58	-53.2	-61.8	0	0	111.1	C66 S68 L73 I89 I90 I94 S116	C66-Q92 WeakPolarHBondContact O-CG 3.49Å; S68-Q92 PolarHBondContact O-NE2 2.89Å; L73-Q92 HydrophobicContact CB-CB 4.23Å; L73-Q92 HydrophobicContact CB-CG 4.21Å; L73-Q92 HydrophobicContact CD1-CG 4.46Å; I89-Q92 HydrophobicContact CG2-CB 3.88Å; I89-Q92 HydrophobicContact CG2-CG 3.49Å; I89-Q92 VanDerWaalsContact CG2-CG 3.49Å; I90-Q92 WeakPolarHBondContact O-CG 3.45Å; I90-Q92 PolarHBondContact O-N 3.41Å; I90-Q92 VanDerWaalsContact O-N 3.14Å; I90-Q92 PolarHBondContact O-NE2 2.83Å; Q92-I94 HydrophobicContact CB-CG1 4.23Å; Q92-S116 PolarHBondContact N-OG 3.01Å; Q92-S116 WeakPolarHBondContact O-CA 3.42Å
93	S	92.6	Very high	90	Very high	19 Å²	19	42.6 Å²	42.6	13%	0.133	21%	0.207	C	C	.	.			trans	-135.5	42.7	179.3	-68.5	0	0	0	0	111.4	K72 L73 K95 S116 E117	K72-S93 WeakPolarHBondContact CD-OG 3.46Å; L73-S93 CarbonylContact O-C 3.58Å; L73-S93 VanDerWaalsContact O-C 3.25Å; L73-S93 WeakPolarHBondContact O-CA 3.24Å; L73-S93 PolarHBondContact O-N 3.21Å; S93-K95 PolarHBondContact O-N 2.59Å; S93-S116 CarbonylContact C-O 3.41Å; S93-S116 WeakPolarHBondContact CA-O 3.37Å; S93-E117 WeakPolarHBondContact CB-OE1 3.44Å; S93-E117 PolarHBondContact OG-OE1 2.9Å
94	I	92.6	Very high	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.			trans	-84.7	93.2	-178	-53.8	-171.8	0	0	0	109.6	L73 I76 I89 Q92 I97 S116 L118	L73-I94 HydrophobicContact CB-CD1 4.4Å; L73-I94 HydrophobicContact CB-CG1 4.41Å; L73-I94 WeakPolarHBondContact O-CG1 3.49Å; L73-I94 PolarHBondContact O-N 2.85Å; I76-I94 HydrophobicContact CG1-CD1 3.84Å; I76-I94 HydrophobicContact CG1-CG2 4.42Å; I89-I94 HydrophobicContact CD1-CD1 3.85Å; I89-I94 HydrophobicContact CG2-CD1 3.75Å; Q92-I94 HydrophobicContact CB-CG1 4.23Å; I94-I97 HydrophobicContact CG2-CG1 4.45Å; I94-S116 CarbonylContact C-O 3.25Å; I94-S116 PolarHBondContact N-O 3.34Å; I94-L118 VanDerWaalsContact O-CA 3.26Å; I94-L118 WeakPolarHBondContact O-CA 3.49Å
95	K	92.4	Very high	90.2	Very high	98 Å²	98	43.1 Å²	43.1	43%	0.426	21%	0.206	S	C	.	.			trans	-79	-26.5	-173.4	-56.8	-169.3	179.8	-160.9	0	114.1	S93 E117 K119 Q120	S93-K95 PolarHBondContact O-N 2.59Å; K95-E117 WeakPolarHBondContact CE-OE2 3.46Å; K95-E117 HydrophobicContact CG-CB 4.17Å; K95-E117 IonicContact NZ-OE2 2.62Å; K95-E117 PolarHBondContact NZ-OE2 2.73Å; K95-K119 PolarHBondContact O-N 2.73Å; K95-Q120 PolarHBondContact O-N 2.64Å
96	I	92.5	Very high	90.1	Very high	70 Å²	70	45 Å²	45	36%	0.359	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.1	-178.7	-52.4	-179.1	0	0	0	108.1	Q120 E122	I96-Q120 WeakPolarHBondContact CA-O 3.29Å; I96-Q120 HydrophobicContact CG1-CB 4.32Å; I96-Q120 HydrophobicContact CG2-CB 4.28Å; I96-Q120 HydrophobicContact CG2-CG 4.13Å; I96-E122 HydrophobicContact CG2-CG 4.3Å
97	I	92.3	Very high	89.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.8	165.2	-53.2	169.1	0	0	0	107.8	I76 I94 S101 L102 I113 L118 Q120 I121 E122 T125	I76-I97 HydrophobicContact CD1-CG1 4.34Å; I76-I97 HydrophobicContact CD1-CG2 3.9Å; I94-I97 HydrophobicContact CG2-CG1 4.45Å; I97-S101 VanDerWaalsContact CG2-OG 3.22Å; I97-S101 WeakPolarHBondContact CG2-OG 3.26Å; I97-L102 HydrophobicContact CG2-CD1 4.02Å; I97-L102 HydrophobicContact CG2-CG 4.42Å; I97-I113 HydrophobicContact CD1-CD1 3.35Å; I97-I113 HydrophobicContact CG1-CD1 4.23Å; I97-L118 HydrophobicContact CD1-CD1 4.1Å; I97-L118 HydrophobicContact CD1-CD2 3.79Å; I97-L118 HydrophobicContact CG1-CD1 3.73Å; I97-L118 HydrophobicContact CG1-CD2 4.36Å; I97-Q120 PolarHBondContact N-O 3.45Å; I97-I121 HydrophobicContact CB-CG2 4.41Å; I97-I121 HydrophobicContact CD1-CD1 4.24Å; I97-I121 HydrophobicContact CD1-CG1 4.12Å; I97-E122 PolarHBondContact O-N 3.18Å; I97-T125 HydrophobicContact CB-CG2 4.4Å; I97-T125 HydrophobicContact CG2-CG2 3.51Å
98	K	88.4	Confident	89.9	Confident	125 Å²	125	47.1 Å²	47.1	54%	0.543	23%	0.225	S	C	.	.			trans	-95.1	150.4	-177.2	-57.3	-166	173.1	-176.3	0	112.4	N100 S101 E122	K98-N100 VanDerWaalsContact C-N 3.31Å; K98-N100 PolarHBondContact O-N 2.97Å; K98-S101 PolarHBondContact N-OG 2.88Å; K98-S101 VanDerWaalsContact O-CB 3.31Å; K98-S101 WeakPolarHBondContact O-CB 3.33Å; K98-S101 PolarHBondContact O-N 3.05Å; K98-S101 PolarHBondContact O-OG 2.88Å; K98-E122 WeakPolarHBondContact CA-OE2 3.49Å; K98-E122 WeakPolarHBondContact CB-OE2 3.37Å; K98-E122 WeakPolarHBondContact CG-OE1 3.49Å
99	N	81.5	Confident	89.8	Confident	53 Å²	53	46 Å²	46	28%	0.283	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-47.4	-50.8	-177.4	-174.4	4.8	0	0	0	112.7	S101 E122 N124 T125	N99-S101 VanDerWaalsContact C-N 3.27Å; N99-S101 PolarHBondContact O-N 2.77Å; N99-E122 PolarHBondContact N-OE2 3.44Å; N99-N124 PolarHBondContact OD1-O 3.41Å; N99-T125 WeakPolarHBondContact CA-OG1 3.14Å; N99-T125 PolarHBondContact N-OG1 3.27Å
100	N	79.5	Confident	89.9	Confident	120 Å²	120	47.8 Å²	47.8	64%	0.642	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-80.5	8.4	-177.6	-64.1	-10.6	0	0	0	115.3	K98 N103	K98-N100 VanDerWaalsContact C-N 3.31Å; K98-N100 PolarHBondContact O-N 2.97Å; N100-N103 PolarHBondContact O-OD1 3.14Å
101	S	85.8	Confident	90	Very high	19 Å²	19	46.8 Å²	46.8	13%	0.133	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-91.1	-18.5	-172.7	67.2	0	0	0	0	115.2	I97 K98 N99 Y104	I97-S101 VanDerWaalsContact CG2-OG 3.22Å; I97-S101 WeakPolarHBondContact CG2-OG 3.26Å; K98-S101 PolarHBondContact N-OG 2.88Å; K98-S101 VanDerWaalsContact O-CB 3.31Å; K98-S101 WeakPolarHBondContact O-CB 3.33Å; K98-S101 PolarHBondContact O-N 3.05Å; K98-S101 PolarHBondContact O-OG 2.88Å; N99-S101 VanDerWaalsContact C-N 3.27Å; N99-S101 PolarHBondContact O-N 2.77Å; S101-Y104 WeakPolarHBondContact O-CE1 3.5Å
102	L	90.1	Very high	90.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-16.2	179.8	-68.3	174.3	0	0	0	114	I76 L87 I97 Y104 L105 L111 T125 L126 L129	I76-L102 HydrophobicContact CD1-CD1 4.09Å; I76-L102 HydrophobicContact CD1-CD2 3.74Å; I76-L102 HydrophobicContact CD1-CG 3.9Å; I76-L102 HydrophobicContact CG2-CD2 4.29Å; L87-L102 HydrophobicContact CD2-CD2 3.7Å; I97-L102 HydrophobicContact CG2-CD1 4.02Å; I97-L102 HydrophobicContact CG2-CG 4.42Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.31Å; L102-Y104 VanDerWaalsContact O-N 3.08Å; L102-L105 HydrophobicContact CD2-CD1 3.77Å; L102-L105 WeakPolarHBondContact O-CB 3.22Å; L102-L105 PolarHBondContact O-N 2.78Å; L102-L111 HydrophobicContact CD1-CD1 4.46Å; L102-L111 HydrophobicContact CD1-CD2 3.89Å; L102-T125 HydrophobicContact CD1-CG2 4.2Å; L102-L126 HydrophobicContact CD1-CD2 4.03Å; L102-L129 HydrophobicContact CB-CD1 4.25Å; L102-L129 WeakPolarHBondContact O-CD2 3.37Å
103	N	85.1	Confident	90.3	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.203	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.1	-169.4	63.5	-3.4	0	0	0	115	N100 L105 Q128	N100-N103 PolarHBondContact O-OD1 3.14Å; N103-L105 VanDerWaalsContact C-N 3.28Å; N103-L105 PolarHBondContact O-N 2.88Å; N103-Q128 WeakPolarHBondContact O-CB 3.3Å; N103-Q128 PolarHBondContact O-OE1 2.85Å
104	Y	87	Confident	90.3	Very high	59 Å²	59	41.5 Å²	41.5	23%	0.231	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.5	178.5	64	-87.3	0	0	0	114.9	P77 I78 L80 S101 L102 I106	P77-Y104 PolarHBondContact O-OH 2.63Å; I78-Y104 PolarHBondContact O-OH 3.21Å; L80-Y104 HydrophobicContact CB-CE2 4.23Å; L80-Y104 WeakPolarHBondContact O-CE2 3.37Å; S101-Y104 WeakPolarHBondContact O-CE1 3.5Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.31Å; L102-Y104 VanDerWaalsContact O-N 3.08Å; Y104-I106 PolarHBondContact O-N 3.28Å; Y104-I106 VanDerWaalsContact O-N 3.11Å
105	L	90	Very high	90.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.			trans	-86	47.8	179.8	-59.2	178.5	0	0	0	112	L80 P81 L84 L87 L102 N103 H107 L108 L129	L80-L105 HydrophobicContact CB-CD2 4.16Å; L80-L105 HydrophobicContact CD1-CD1 4.21Å; P81-L105 VanDerWaalsContact O-CD2 3.24Å; P81-L105 WeakPolarHBondContact O-CD2 3.42Å; L84-L105 HydrophobicContact CB-CD2 4.07Å; L84-L105 HydrophobicContact CD2-CD1 4.34Å; L87-L105 HydrophobicContact CD2-CD1 4.12Å; L102-L105 HydrophobicContact CD2-CD1 3.77Å; L102-L105 WeakPolarHBondContact O-CB 3.22Å; L102-L105 PolarHBondContact O-N 2.78Å; N103-L105 VanDerWaalsContact C-N 3.28Å; N103-L105 PolarHBondContact O-N 2.88Å; L105-H107 PolarHBondContact O-N 3.01Å; L105-L108 HydrophobicContact CB-CB 4.26Å; L105-L108 VanDerWaalsContact O-CB 3.23Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-L129 HydrophobicContact CB-CD2 4.18Å; L105-L129 VanDerWaalsContact O-CD2 3.25Å; L105-L129 WeakPolarHBondContact O-CD2 3.14Å
106	I	89	Confident	90.5	Very high	83 Å²	83	37.9 Å²	37.9	43%	0.426	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-16.8	-172.4	63	171.7	0	0	0	115.2	Y104 Q128	Y104-I106 PolarHBondContact O-N 3.28Å; Y104-I106 VanDerWaalsContact O-N 3.11Å; I106-Q128 HydrophobicContact CG2-CB 4.5Å
107	H	89.6	Confident	90.4	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.38	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.2	179	-66.5	-55.2	0	0	0	114.3	L84 L105 E109	L84-H107 CarbonylContact O-C 3.5Å; L105-H107 PolarHBondContact O-N 3.01Å; H107-E109 PolarHBondContact O-N 3.4Å
108	L	92.9	Very high	90.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.			trans	-67.6	119.9	-174.8	-162.5	74.5	0	0	0	111.1	L84 L87 L105 L111 L129 S131 L132	L84-L108 HydrophobicContact CB-CD1 4.3Å; L84-L108 HydrophobicContact CD2-CD1 4.01Å; L84-L108 HydrophobicContact CG-CD1 4.23Å; L84-L108 VanDerWaalsContact O-CA 3.24Å; L84-L108 WeakPolarHBondContact O-CA 3.4Å; L84-L108 PolarHBondContact O-N 2.98Å; L84-L108 VanDerWaalsContact O-N 3.14Å; L87-L108 HydrophobicContact CB-CD1 3.79Å; L87-L108 HydrophobicContact CB-CD2 4.35Å; L105-L108 HydrophobicContact CB-CB 4.26Å; L105-L108 VanDerWaalsContact O-CB 3.23Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 2.97Å; L108-L111 HydrophobicContact CD2-CB 4.02Å; L108-L111 HydrophobicContact CD2-CD1 4.13Å; L108-L129 HydrophobicContact CB-CD2 4.35Å; L108-L129 HydrophobicContact CD2-CD1 4.45Å; L108-S131 CarbonylContact O-C 3.57Å; L108-S131 VanDerWaalsContact O-C 3.26Å; L108-L132 HydrophobicContact CB-CD1 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.12Å; L108-L132 HydrophobicContact CG-CD1 4.15Å; L108-L132 VanDerWaalsContact O-CA 3.23Å; L108-L132 WeakPolarHBondContact O-CA 3.28Å; L108-L132 PolarHBondContact O-N 2.97Å
109	E	93.3	Very high	90.7	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	19%	0.19	S	C	.	.			trans	-100.8	-24.1	175.4	-56.9	-163.2	154.5	0	0	112.6	I85 H107 S131 K133 S134	I85-E109 HydrophobicContact CG2-CB 3.98Å; I85-E109 HydrophobicContact CG2-CG 3.98Å; I85-E109 PolarHBondContact O-N 2.99Å; H107-E109 PolarHBondContact O-N 3.4Å; E109-S131 WeakPolarHBondContact CA-O 3.47Å; E109-K133 HydrophobicContact CB-CD 4.33Å; E109-K133 VanDerWaalsContact CD-CE 3.47Å; E109-K133 PolarHBondContact O-N 2.68Å; E109-K133 WeakPolarHBondContact OE1-CE 3.37Å; E109-K133 IonicContact OE1-NZ 3.82Å; E109-K133 PolarHBondContact OE1-NZ 3.14Å; E109-K133 WeakPolarHBondContact OE2-CE 3.23Å; E109-K133 IonicContact OE2-NZ 2.78Å; E109-K133 PolarHBondContact OE2-NZ 3.09Å; E109-S134 PolarHBondContact O-N 2.98Å; E109-S134 VanDerWaalsContact O-N 3.11Å
110	T	94.3	Very high	91.2	Very high	38 Å²	38	38.5 Å²	38.5	23%	0.233	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.6	179.1	-65.2	0	0	0	0	111.8	I85 E86 L87 S134	I85-T110 PolarHBondContact O-N 3.4Å; E86-T110 WeakPolarHBondContact CA-O 3.34Å; E86-T110 HydrophobicContact CG-CG2 4.03Å; L87-T110 PolarHBondContact N-O 3.11Å; T110-S134 WeakPolarHBondContact CA-O 3.24Å
111	L	95.4	Very high	91.8	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	172.2	-179.6	61.8	0	0	0	109.4	L87 L102 L108 I113 L126 L132 S134 I135 N136	L87-L111 HydrophobicContact CB-CD1 4.12Å; L87-L111 HydrophobicContact CD2-CD1 3.84Å; L87-L111 HydrophobicContact CG-CD1 4.1Å; L102-L111 HydrophobicContact CD1-CD1 4.46Å; L102-L111 HydrophobicContact CD1-CD2 3.89Å; L108-L111 HydrophobicContact CD2-CB 4.02Å; L108-L111 HydrophobicContact CD2-CD1 4.13Å; L111-I113 HydrophobicContact CD1-CD1 4Å; L111-I113 HydrophobicContact CD1-CG1 4.01Å; L111-I113 HydrophobicContact CD2-CD1 4.42Å; L111-I113 HydrophobicContact CG-CD1 4.33Å; L111-I113 HydrophobicContact CG-CG1 4.33Å; L111-L126 HydrophobicContact CD2-CD2 4.18Å; L111-L132 HydrophobicContact CB-CD1 3.96Å; L111-S134 PolarHBondContact N-O 2.62Å; L111-I135 CarbonylContact O-C 3.54Å; L111-I135 WeakPolarHBondContact O-CA 3.28Å; L111-N136 PolarHBondContact O-N 3.08Å
112	T	96.1	Very high	91.9	Very high	6 Å²	6	35 Å²	35	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120	172	-65.4	0	0	0	0	109.1	L87 R88 I89 E114 N136	L87-T112 PolarHBondContact O-N 2.92Å; R88-T112 CarbonylContact C-O 3.57Å; R88-T112 WeakPolarHBondContact CA-O 3.25Å; I89-T112 PolarHBondContact N-O 3.21Å; T112-E114 HydrophobicContact CG2-CB 4.06Å; T112-N136 CarbonylContact C-O 3.59Å; T112-N136 WeakPolarHBondContact CA-O 3.31Å; T112-N136 HydrophobicContact CG2-CB 4.16Å; T112-N136 WeakPolarHBondContact CG2-ND2 3.41Å
113	I	95.1	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	91	172.4	-57.5	176.3	0	0	0	106.7	I76 I89 I97 L111 L118 N136 L137 N140	I76-I113 HydrophobicContact CD1-CD1 4.11Å; I89-I113 HydrophobicContact CB-CG1 4.18Å; I89-I113 HydrophobicContact CB-CG2 4.45Å; I89-I113 HydrophobicContact CD1-CD1 4.37Å; I89-I113 HydrophobicContact CD1-CG1 4.19Å; I89-I113 HydrophobicContact CG1-CG1 4.34Å; I89-I113 CarbonylContact O-C 3.55Å; I89-I113 WeakPolarHBondContact O-CA 3.41Å; I97-I113 HydrophobicContact CD1-CD1 3.35Å; I97-I113 HydrophobicContact CG1-CD1 4.23Å; L111-I113 HydrophobicContact CD1-CD1 4Å; L111-I113 HydrophobicContact CD1-CG1 4.01Å; L111-I113 HydrophobicContact CD2-CD1 4.42Å; L111-I113 HydrophobicContact CG-CD1 4.33Å; L111-I113 HydrophobicContact CG-CG1 4.33Å; I113-L118 HydrophobicContact CG2-CD2 4.35Å; I113-N136 PolarHBondContact N-O 2.93Å; I113-L137 HydrophobicContact CB-CD2 3.98Å; I113-L137 WeakPolarHBondContact O-CA 3.43Å; I113-N140 PolarHBondContact O-ND2 3.17Å
114	E	94.5	Very high	91.3	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.8	-167.4	-176.8	176.9	123.4	0	0	111.1	I89 I90 H91 T112 S116 N136 R138 Y782	I89-E114 PolarHBondContact O-N 3.14Å; I90-E114 WeakPolarHBondContact CA-O 3.41Å; I90-E114 HydrophobicContact CG2-CB 4.33Å; H91-E114 PolarHBondContact N-O 3.37Å; H91-E114 VanDerWaalsContact N-O 3.11Å; T112-E114 HydrophobicContact CG2-CB 4.06Å; E114-S116 PolarHBondContact O-N 3.16Å; E114-S116 VanDerWaalsContact O-N 3.1Å; E114-S116 PolarHBondContact O-OG 2.98Å; E114-N136 PolarHBondContact OE2-ND2 2.89Å; E114-R138 WeakPolarHBondContact CA-O 3.34Å; E114-R138 HydrophobicContact CG-CB 4.28Å; E114-Y782 WeakPolarHBondContact OE1-CE2 3.49Å; E114-Y782 PolarHBondContact OE1-OH 2.82Å; E114-Y782 PolarHBondContact OE2-OH 3.27Å
115	S	93.6	Very high	91.3	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.154	19%	0.185	C	C	.	.	S	Bend	trans	52	35.4	175	-56.7	0	0	0	0	114.1	H91 R138 N139	H91-S115 WeakPolarHBondContact CA-O 2.94Å; H91-S115 WeakPolarHBondContact CD2-CB 3.47Å; S115-R138 PolarHBondContact N-O 2.82Å; S115-N139 PolarHBondContact OG-ND2 2.87Å
116	S	94	Very high	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-116.8	20.8	-162.9	-69.8	0	0	0	0	115	Q92 S93 I94 E114 L118 N140	Q92-S116 PolarHBondContact N-OG 3.01Å; Q92-S116 WeakPolarHBondContact O-CA 3.42Å; S93-S116 CarbonylContact C-O 3.41Å; S93-S116 WeakPolarHBondContact CA-O 3.37Å; I94-S116 CarbonylContact C-O 3.25Å; I94-S116 PolarHBondContact N-O 3.34Å; E114-S116 PolarHBondContact O-N 3.16Å; E114-S116 VanDerWaalsContact O-N 3.1Å; E114-S116 PolarHBondContact O-OG 2.98Å; S116-L118 PolarHBondContact O-N 3.07Å; S116-N140 PolarHBondContact N-OD1 3.46Å
117	E	91.7	Very high	90.9	Very high	75 Å²	75	35.5 Å²	35.5	35%	0.35	18%	0.175	S	C	.	.			trans	61.6	19.3	-179.5	-57.4	179	-110.5	0	0	115.5	S93 K95 K119	S93-E117 WeakPolarHBondContact CB-OE1 3.44Å; S93-E117 PolarHBondContact OG-OE1 2.9Å; K95-E117 WeakPolarHBondContact CE-OE2 3.46Å; K95-E117 HydrophobicContact CG-CB 4.17Å; K95-E117 IonicContact NZ-OE2 2.62Å; K95-E117 PolarHBondContact NZ-OE2 2.73Å; E117-K119 PolarHBondContact O-N 3.06Å
118	L	93.9	Very high	90.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.			trans	-66.6	126.9	-175.2	180	63	0	0	0	112.4	I94 I97 I113 S116 Q120 I121 L137 N140 S141 L142	I94-L118 VanDerWaalsContact O-CA 3.26Å; I94-L118 WeakPolarHBondContact O-CA 3.49Å; I97-L118 HydrophobicContact CD1-CD1 4.1Å; I97-L118 HydrophobicContact CD1-CD2 3.79Å; I97-L118 HydrophobicContact CG1-CD1 3.73Å; I97-L118 HydrophobicContact CG1-CD2 4.36Å; I113-L118 HydrophobicContact CG2-CD2 4.35Å; S116-L118 PolarHBondContact O-N 3.07Å; L118-Q120 VanDerWaalsContact CD1-O 3.32Å; L118-Q120 WeakPolarHBondContact CD1-O 3.32Å; L118-I121 HydrophobicContact CD2-CD1 4.24Å; L118-I121 HydrophobicContact CD2-CG1 4.18Å; L118-L137 HydrophobicContact CD2-CD2 4.03Å; L118-N140 HydrophobicContact CB-CB 3.93Å; L118-N140 WeakPolarHBondContact CB-OD1 3.42Å; L118-N140 PolarHBondContact N-OD1 2.9Å; L118-S141 CarbonylContact O-C 3.4Å; L118-S141 VanDerWaalsContact O-C 3.31Å; L118-S141 VanDerWaalsContact O-CA 3.32Å; L118-S141 WeakPolarHBondContact O-CA 3.32Å; L118-S141 WeakPolarHBondContact O-CB 3.19Å; L118-S141 PolarHBondContact O-N 2.98Å; L118-L142 HydrophobicContact CD2-CD1 4.23Å; L118-L142 HydrophobicContact CD2-CD2 4.48Å; L118-L142 HydrophobicContact CG-CD2 4.15Å; L118-L142 HydrophobicContact CG-CG 4.45Å
119	K	92	Very high	90.5	Very high	127 Å²	127	36.6 Å²	36.6	55%	0.552	18%	0.18	S	C	*	.			trans	-119.4	-20.9	-178.7	-69.4	-172	174.4	-155.8	0	114.6	K95 E117 S148	K95-K119 PolarHBondContact O-N 2.73Å; E117-K119 PolarHBondContact O-N 3.06Å; K119-S148 WeakPolarHBondContact O-CB 3.47Å; K119-S148 PolarHBondContact O-OG 3.44Å
120	Q	92.4	Very high	90.2	Very high	61 Å²	61	38.3 Å²	38.3	29%	0.285	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	136.2	-174.1	172.5	169.7	25	0	0	111.2	K95 I96 I97 L118 I147 S148	K95-Q120 PolarHBondContact O-N 2.64Å; I96-Q120 WeakPolarHBondContact CA-O 3.29Å; I96-Q120 HydrophobicContact CG1-CB 4.32Å; I96-Q120 HydrophobicContact CG2-CB 4.28Å; I96-Q120 HydrophobicContact CG2-CG 4.13Å; I97-Q120 PolarHBondContact N-O 3.45Å; L118-Q120 VanDerWaalsContact CD1-O 3.32Å; L118-Q120 WeakPolarHBondContact CD1-O 3.32Å; Q120-I147 VanDerWaalsContact CD-O 3.25Å; Q120-I147 WeakPolarHBondContact CG-O 3.5Å; Q120-I147 PolarHBondContact NE2-O 3.2Å; Q120-S148 WeakPolarHBondContact CA-O 3.1Å
121	I	92.1	Very high	90	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.6	164.7	-51.3	-175.1	0	0	0	106.6	I97 L118 T125 L137 L142 S148 F149 L153	I97-I121 HydrophobicContact CB-CG2 4.41Å; I97-I121 HydrophobicContact CD1-CD1 4.24Å; I97-I121 HydrophobicContact CD1-CG1 4.12Å; L118-I121 HydrophobicContact CD2-CD1 4.24Å; L118-I121 HydrophobicContact CD2-CG1 4.18Å; I121-T125 HydrophobicContact CG2-CG2 4.08Å; I121-L137 HydrophobicContact CD1-CD1 3.89Å; I121-L142 HydrophobicContact CG1-CD2 4.36Å; I121-S148 PolarHBondContact N-O 3.43Å; I121-F149 HydrophobicContact CD1-CD2 3.96Å; I121-F149 HydrophobicContact CD1-CE2 3.95Å; I121-L153 HydrophobicContact CB-CD1 3.74Å; I121-L153 HydrophobicContact CG2-CD1 3.62Å; I121-L153 HydrophobicContact CG2-CD2 4.24Å
122	E	88.8	Confident	89.9	Confident	62 Å²	62	38.2 Å²	38.2	29%	0.29	19%	0.192	S	C	.	.			trans	-61.3	146.4	177.5	-74.3	176.2	-170.2	0	0	110.8	I96 I97 K98 N99 T125	I96-E122 HydrophobicContact CG2-CG 4.3Å; I97-E122 PolarHBondContact O-N 3.18Å; K98-E122 WeakPolarHBondContact CA-OE2 3.49Å; K98-E122 WeakPolarHBondContact CB-OE2 3.37Å; K98-E122 WeakPolarHBondContact CG-OE1 3.49Å; N99-E122 PolarHBondContact N-OE2 3.44Å; E122-T125 VanDerWaalsContact O-CB 3.28Å; E122-T125 WeakPolarHBondContact O-CB 3.32Å; E122-T125 PolarHBondContact O-N 3.48Å; E122-T125 PolarHBondContact O-OG1 2.89Å
123	L	81.6	Confident	89.8	Confident	85 Å²	85	41.6 Å²	41.6	45%	0.445	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	148.2	174	-167.5	69.9	0	0	0	110.7	T125 P150 D152	L123-T125 PolarHBondContact O-N 2.87Å; L123-T125 VanDerWaalsContact O-N 3.16Å; L123-P150 HydrophobicContact CD1-CB 4.17Å; L123-P150 HydrophobicContact CD1-CG 4.34Å; L123-D152 HydrophobicContact CD1-CB 4.07Å
124	N	80.9	Confident	89.7	Confident	65 Å²	65	43 Å²	43	35%	0.348	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-9.3	-179.9	-52.9	-47.7	0	0	0	117.6	N99 L126 N127	N99-N124 PolarHBondContact OD1-O 3.41Å; N124-L126 PolarHBondContact O-N 3.01Å; N124-N127 VanDerWaalsContact CA-OD1 3.31Å; N124-N127 WeakPolarHBondContact CA-OD1 3.5Å; N124-N127 PolarHBondContact O-N 3.1Å; N124-N127 VanDerWaalsContact O-N 3.07Å; N124-N127 PolarHBondContact O-OD1 3.05Å; N124-N127 PolarHBondContact OD1-ND2 3.11Å
125	T	86.4	Confident	89.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-34.7	-178.9	-63.3	0	0	0	0	115.1	I97 N99 L102 I121 E122 L123	I97-T125 HydrophobicContact CB-CG2 4.4Å; I97-T125 HydrophobicContact CG2-CG2 3.51Å; N99-T125 WeakPolarHBondContact CA-OG1 3.14Å; N99-T125 PolarHBondContact N-OG1 3.27Å; L102-T125 HydrophobicContact CD1-CG2 4.2Å; I121-T125 HydrophobicContact CG2-CG2 4.08Å; E122-T125 VanDerWaalsContact O-CB 3.28Å; E122-T125 WeakPolarHBondContact O-CB 3.32Å; E122-T125 PolarHBondContact O-N 3.48Å; E122-T125 PolarHBondContact O-OG1 2.89Å; L123-T125 PolarHBondContact O-N 2.87Å; L123-T125 VanDerWaalsContact O-N 3.16Å
126	L	86	Confident	89.9	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.5	-173.8	-53.5	178.8	0	0	0	113.4	L102 L111 N124 Q128 L129 I135 L153 L157	L102-L126 HydrophobicContact CD1-CD2 4.03Å; L111-L126 HydrophobicContact CD2-CD2 4.18Å; N124-L126 PolarHBondContact O-N 3.01Å; L126-Q128 PolarHBondContact O-N 2.85Å; L126-L129 HydrophobicContact CB-CD1 4.35Å; L126-L129 HydrophobicContact CD2-CD1 3.67Å; L126-L129 WeakPolarHBondContact O-CB 3.26Å; L126-L129 PolarHBondContact O-N 2.77Å; L126-I135 HydrophobicContact CD1-CD1 4.23Å; L126-L153 HydrophobicContact CD1-CB 4.39Å; L126-L153 HydrophobicContact CD1-CD2 4.49Å; L126-L153 HydrophobicContact CG-CD2 4.29Å; L126-L157 HydrophobicContact CB-CD1 4.33Å; L126-L157 HydrophobicContact CB-CD2 4.16Å; L126-L157 HydrophobicContact CD1-CD1 4.1Å
127	N	85.1	Confident	89.9	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.193	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.8	-164.8	-63.7	16.3	0	0	0	115.1	N124 Y156	N124-N127 VanDerWaalsContact CA-OD1 3.31Å; N124-N127 WeakPolarHBondContact CA-OD1 3.5Å; N124-N127 PolarHBondContact O-N 3.1Å; N124-N127 VanDerWaalsContact O-N 3.07Å; N124-N127 PolarHBondContact O-OD1 3.05Å; N124-N127 PolarHBondContact OD1-ND2 3.11Å; N127-Y156 HydrophobicContact CB-CD2 4.28Å; N127-Y156 HydrophobicContact CB-CG 4.04Å; N127-Y156 WeakPolarHBondContact ND2-CD2 3.35Å; N127-Y156 WeakPolarHBondContact ND2-CE2 3.09Å; N127-Y156 WeakPolarHBondContact OD1-CD2 3.47Å
128	Q	84.1	Confident	90.1	Very high	104 Å²	104	40.6 Å²	40.6	49%	0.486	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6	177.1	-64	-172.6	-6.8	0	0	112.9	N103 I106 L126 I130	N103-Q128 WeakPolarHBondContact O-CB 3.3Å; N103-Q128 PolarHBondContact O-OE1 2.85Å; I106-Q128 HydrophobicContact CG2-CB 4.5Å; L126-Q128 PolarHBondContact O-N 2.85Å; Q128-I130 PolarHBondContact O-N 3.27Å
129	L	90.1	Very high	90.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.			trans	-84.6	51.3	-178	-54.4	-179.4	0	0	0	111.6	L102 L105 L108 L126 S131 L132 L157	L102-L129 HydrophobicContact CB-CD1 4.25Å; L102-L129 WeakPolarHBondContact O-CD2 3.37Å; L105-L129 HydrophobicContact CB-CD2 4.18Å; L105-L129 VanDerWaalsContact O-CD2 3.25Å; L105-L129 WeakPolarHBondContact O-CD2 3.14Å; L108-L129 HydrophobicContact CB-CD2 4.35Å; L108-L129 HydrophobicContact CD2-CD1 4.45Å; L126-L129 HydrophobicContact CB-CD1 4.35Å; L126-L129 HydrophobicContact CD2-CD1 3.67Å; L126-L129 WeakPolarHBondContact O-CB 3.26Å; L126-L129 PolarHBondContact O-N 2.77Å; L129-S131 PolarHBondContact O-N 2.91Å; L129-S131 VanDerWaalsContact O-N 3.11Å; L129-L132 HydrophobicContact CB-CB 4.07Å; L129-L132 HydrophobicContact CB-CD2 4.15Å; L129-L132 HydrophobicContact CD1-CD2 4.04Å; L129-L132 WeakPolarHBondContact O-CB 3.27Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-L157 HydrophobicContact CB-CD2 4.29Å
130	I	87.3	Confident	90.2	Very high	99 Å²	99	36.7 Å²	36.7	51%	0.508	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.7	-174.2	-58.1	170.7	0	0	0	111.7	Q128 L132 P158 N159	Q128-I130 PolarHBondContact O-N 3.27Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 2.71Å; I130-P158 HydrophobicContact CG2-CG 4.12Å; I130-N159 PolarHBondContact O-ND2 2.85Å
131	S	89.9	Confident	90.2	Very high	40 Å²	40	36.1 Å²	36.1	28%	0.28	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.4	175.9	-80.1	0	0	0	0	115.3	L108 E109 L129 K133	L108-S131 CarbonylContact O-C 3.57Å; L108-S131 VanDerWaalsContact O-C 3.26Å; E109-S131 WeakPolarHBondContact CA-O 3.47Å; L129-S131 PolarHBondContact O-N 2.91Å; L129-S131 VanDerWaalsContact O-N 3.11Å; S131-K133 PolarHBondContact O-N 2.71Å
132	L	93	Very high	90.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.			trans	-72.3	123.7	-168.9	-163.8	64.4	0	0	0	112.4	L108 L111 L129 I130 I135 L157 N159 L160	L108-L132 HydrophobicContact CB-CD1 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.12Å; L108-L132 HydrophobicContact CG-CD1 4.15Å; L108-L132 VanDerWaalsContact O-CA 3.23Å; L108-L132 WeakPolarHBondContact O-CA 3.28Å; L108-L132 PolarHBondContact O-N 2.97Å; L111-L132 HydrophobicContact CB-CD1 3.96Å; L129-L132 HydrophobicContact CB-CB 4.07Å; L129-L132 HydrophobicContact CB-CD2 4.15Å; L129-L132 HydrophobicContact CD1-CD2 4.04Å; L129-L132 WeakPolarHBondContact O-CB 3.27Å; L129-L132 PolarHBondContact O-N 2.85Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 2.71Å; L132-I135 HydrophobicContact CD2-CD1 3.77Å; L132-I135 HydrophobicContact CD2-CG1 3.72Å; L132-I135 HydrophobicContact CG-CG1 4.17Å; L132-L157 HydrophobicContact CB-CD2 4.29Å; L132-L157 HydrophobicContact CD2-CD1 4.28Å; L132-L157 HydrophobicContact CD2-CD2 4.17Å; L132-N159 CarbonylContact O-C 3.55Å; L132-N159 VanDerWaalsContact O-C 3.27Å; L132-L160 PolarHBondContact O-N 2.83Å
133	K	92.8	Very high	90	Very high	76 Å²	76	35.6 Å²	35.6	33%	0.33	19%	0.191	S	C	.	.			trans	-112.1	-31	-176.3	-61.2	171.4	-165.3	166.6	0	113.2	E109 S131 N159 I161 S162	E109-K133 HydrophobicContact CB-CD 4.33Å; E109-K133 VanDerWaalsContact CD-CE 3.47Å; E109-K133 PolarHBondContact O-N 2.68Å; E109-K133 WeakPolarHBondContact OE1-CE 3.37Å; E109-K133 IonicContact OE1-NZ 3.82Å; E109-K133 PolarHBondContact OE1-NZ 3.14Å; E109-K133 WeakPolarHBondContact OE2-CE 3.23Å; E109-K133 IonicContact OE2-NZ 2.78Å; E109-K133 PolarHBondContact OE2-NZ 3.09Å; S131-K133 PolarHBondContact O-N 2.71Å; K133-N159 WeakPolarHBondContact CA-O 3.46Å; K133-I161 HydrophobicContact CB-CD1 4.5Å; K133-I161 PolarHBondContact O-N 3.47Å; K133-S162 PolarHBondContact O-N 3.46Å
134	S	94.5	Very high	90	Very high	30 Å²	30	32.6 Å²	32.6	21%	0.21	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.7	-177.1	-167.2	0	0	0	0	111.9	E109 T110 L111 S162	E109-S134 PolarHBondContact O-N 2.98Å; E109-S134 VanDerWaalsContact O-N 3.11Å; T110-S134 WeakPolarHBondContact CA-O 3.24Å; L111-S134 PolarHBondContact N-O 2.62Å; S134-S162 WeakPolarHBondContact CA-O 3.5Å; S134-S162 PolarHBondContact OG-OG 3.3Å
135	I	94.9	Very high	89.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.7	172	-69.5	175	0	0	0	108.4	L111 L126 L132 L137 L157 L160 S162 L163 N164	L111-I135 CarbonylContact O-C 3.54Å; L111-I135 WeakPolarHBondContact O-CA 3.28Å; L126-I135 HydrophobicContact CD1-CD1 4.23Å; L132-I135 HydrophobicContact CD2-CD1 3.77Å; L132-I135 HydrophobicContact CD2-CG1 3.72Å; L132-I135 HydrophobicContact CG-CG1 4.17Å; I135-L137 HydrophobicContact CG2-CD1 3.72Å; I135-L137 HydrophobicContact CG2-CD2 4.38Å; I135-L137 HydrophobicContact CG2-CG 3.64Å; I135-L157 HydrophobicContact CD1-CD1 3.67Å; I135-L160 HydrophobicContact CB-CD1 4.33Å; I135-L160 HydrophobicContact CD1-CD1 3.87Å; I135-L160 HydrophobicContact CD1-CD2 4.35Å; I135-L160 HydrophobicContact CG1-CD1 3.84Å; I135-S162 PolarHBondContact N-O 2.95Å; I135-L163 HydrophobicContact CB-CD1 3.94Å; I135-L163 HydrophobicContact CG2-CD1 3.74Å; I135-L163 WeakPolarHBondContact O-CA 3.42Å; I135-N164 PolarHBondContact O-N 2.87Å
136	N	96	Very high	89.1	Confident	22 Å²	22	34.4 Å²	34.4	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.3	168.6	175.7	17.7	0	0	0	110.1	L111 T112 I113 E114 R138 N164	L111-N136 PolarHBondContact O-N 3.08Å; T112-N136 CarbonylContact C-O 3.59Å; T112-N136 WeakPolarHBondContact CA-O 3.31Å; T112-N136 HydrophobicContact CG2-CB 4.16Å; T112-N136 WeakPolarHBondContact CG2-ND2 3.41Å; I113-N136 PolarHBondContact N-O 2.93Å; E114-N136 PolarHBondContact OE2-ND2 2.89Å; N136-R138 WeakPolarHBondContact OD1-CB 3.45Å; N136-R138 PolarHBondContact OD1-N 2.94Å; N136-N164 HydrophobicContact CB-CB 4.33Å
137	L	95.4	Very high	88.7	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	23%	0.229	C	C	.	.			trans	-123.2	28.8	178.2	-59.4	172.4	0	0	0	111.1	I113 L118 I121 I135 N140 L142 F149 N164 L165 N168	I113-L137 HydrophobicContact CB-CD2 3.98Å; I113-L137 WeakPolarHBondContact O-CA 3.43Å; L118-L137 HydrophobicContact CD2-CD2 4.03Å; I121-L137 HydrophobicContact CD1-CD1 3.89Å; I135-L137 HydrophobicContact CG2-CD1 3.72Å; I135-L137 HydrophobicContact CG2-CD2 4.38Å; I135-L137 HydrophobicContact CG2-CG 3.64Å; L137-N140 VanDerWaalsContact C-ND2 3.28Å; L137-N140 PolarHBondContact O-ND2 3.29Å; L137-L142 HydrophobicContact CB-CD1 4.04Å; L137-L142 HydrophobicContact CD1-CD1 3.93Å; L137-F149 HydrophobicContact CD1-CD2 4.36Å; L137-F149 HydrophobicContact CD1-CE2 3.71Å; L137-N164 PolarHBondContact N-O 2.84Å; L137-L165 HydrophobicContact CB-CD2 4.18Å; L137-L165 HydrophobicContact CD1-CD2 4.16Å; L137-N168 PolarHBondContact O-ND2 2.89Å
138	R	94.3	Very high	88.7	Confident	31 Å²	31	39.6 Å²	39.6	12%	0.117	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	145.3	-178.8	178.9	176.8	177.5	177.2	6.7	112.7	E114 S115 N136 N140 A166 E167 D784	E114-R138 WeakPolarHBondContact CA-O 3.34Å; E114-R138 HydrophobicContact CG-CB 4.28Å; S115-R138 PolarHBondContact N-O 2.82Å; N136-R138 WeakPolarHBondContact OD1-CB 3.45Å; N136-R138 PolarHBondContact OD1-N 2.94Å; R138-N140 PolarHBondContact O-N 2.95Å; R138-N140 PolarHBondContact O-ND2 2.91Å; R138-A166 CarbonylContact C-O 3.53Å; R138-A166 VanDerWaalsContact CA-O 3.26Å; R138-A166 WeakPolarHBondContact CA-O 3.43Å; R138-A166 HydrophobicContact CG-CB 4.3Å; R138-E167 HydrophobicContact CG-CB 4.46Å; R138-E167 IonicContact CZ-OE1 3.93Å; R138-E167 IonicContact CZ-OE2 3.12Å; R138-E167 IonicContact NE-OE1 2.7Å; R138-E167 IonicContact NE-OE2 2.77Å; R138-E167 PolarHBondContact NE-OE2 3.41Å; R138-E167 VanDerWaalsContact NH2-CD 3.31Å; R138-E167 IonicContact NH2-OE1 3.43Å; R138-E167 PolarHBondContact NH2-OE1 3.45Å; R138-E167 IonicContact NH2-OE2 2.66Å; R138-E167 PolarHBondContact NH2-OE2 3.42Å; R138-D784 IonicContact CZ-OD1 2.69Å; R138-D784 IonicContact NH1-OD1 2.69Å; R138-D784 PolarHBondContact NH1-OD1 3.33Å; R138-D784 IonicContact NH2-OD1 2.66Å; R138-D784 PolarHBondContact NH2-OD1 2.93Å
139	N	94	Very high	88.8	Confident	46 Å²	46	34.7 Å²	34.7	25%	0.246	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	34.3	171.5	-164.2	22.1	0	0	0	115.3	S115 A166 E167 K197	S115-N139 PolarHBondContact OG-ND2 2.87Å; N139-A166 PolarHBondContact N-O 2.8Å; N139-E167 VanDerWaalsContact CA-O 3.29Å; N139-E167 WeakPolarHBondContact CA-O 3.33Å; N139-E167 HydrophobicContact CB-CB 4.02Å; N139-K197 PolarHBondContact O-NZ 2.05Å; N139-K197 WeakPolarHBondContact OD1-CE 3.12Å; N139-K197 PolarHBondContact OD1-NZ 3.16Å
140	N	94.4	Very high	88.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-101.2	-146.6	177	-72.1	-63.3	0	0	0	111.9	I113 S116 L118 L137 R138 N168 K197	I113-N140 PolarHBondContact O-ND2 3.17Å; S116-N140 PolarHBondContact N-OD1 3.46Å; L118-N140 HydrophobicContact CB-CB 3.93Å; L118-N140 WeakPolarHBondContact CB-OD1 3.42Å; L118-N140 PolarHBondContact N-OD1 2.9Å; L137-N140 VanDerWaalsContact C-ND2 3.28Å; L137-N140 PolarHBondContact O-ND2 3.29Å; R138-N140 PolarHBondContact O-N 2.95Å; R138-N140 PolarHBondContact O-ND2 2.91Å; N140-N168 WeakPolarHBondContact CA-OD1 3.23Å; N140-N168 VanDerWaalsContact CB-OD1 3.29Å; N140-N168 WeakPolarHBondContact CB-OD1 3.49Å; N140-N168 PolarHBondContact N-OD1 2.98Å; N140-K197 PolarHBondContact O-NZ 3.1Å
141	S	92.6	Very high	87.8	Confident	48 Å²	48	32.1 Å²	32.1	34%	0.336	19%	0.187	S	C	.	.			trans	-139.1	33.9	-177.3	-64.2	0	0	0	0	111.2	L118 N168	L118-S141 CarbonylContact O-C 3.4Å; L118-S141 VanDerWaalsContact O-C 3.31Å; L118-S141 VanDerWaalsContact O-CA 3.32Å; L118-S141 WeakPolarHBondContact O-CA 3.32Å; L118-S141 WeakPolarHBondContact O-CB 3.19Å; L118-S141 PolarHBondContact O-N 2.98Å; S141-N168 PolarHBondContact N-OD1 2.9Å
142	L	90.5	Very high	87.3	Confident	2 Å²	2	33 Å²	33	1%	0.01	19%	0.189	C	C	.	.			trans	-82.3	132.6	178.9	-65.7	166.5	0	0	0	111.4	L118 I121 L137 F149 L165 N168 P169	L118-L142 HydrophobicContact CD2-CD1 4.23Å; L118-L142 HydrophobicContact CD2-CD2 4.48Å; L118-L142 HydrophobicContact CG-CD2 4.15Å; L118-L142 HydrophobicContact CG-CG 4.45Å; I121-L142 HydrophobicContact CG1-CD2 4.36Å; L137-L142 HydrophobicContact CB-CD1 4.04Å; L137-L142 HydrophobicContact CD1-CD1 3.93Å; L142-F149 HydrophobicContact CD1-CD2 4.21Å; L142-L165 HydrophobicContact CD1-CD2 4.33Å; L142-N168 PolarHBondContact N-OD1 3.04Å; L142-P169 WeakPolarHBondContact O-CD 3.32Å
143	T	87	Confident	86.8	Confident	54 Å²	54	33 Å²	33	33%	0.331	19%	0.189	S	C	.	.			trans	-104.8	163.8	158.2	64.4	0	0	0	0	109.7	S148 F149 P169	T143-S148 PolarHBondContact N-OG 2.84Å; T143-S148 VanDerWaalsContact O-CB 3.25Å; T143-S148 WeakPolarHBondContact O-CB 3.38Å; T143-S148 PolarHBondContact O-OG 3.11Å; T143-F149 WeakPolarHBondContact O-CB 3.34Å; T143-F149 PolarHBondContact O-N 2.69Å; T143-P169 HydrophobicContact CG2-CG 4.27Å
144	F	81.9	Confident	86.2	Confident	21 Å²	21	29.4 Å²	29.4	9%	0.092	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-75.9	151.5	168.3	-67.5	-52.3	0	0	0	111.3	F149 L165 I170 I173 P174 F177 L193	F144-F149 HydrophobicContact CD1-CB 4.38Å; F144-F149 HydrophobicContact CD1-CD1 4.06Å; F144-F149 HydrophobicContact CD1-CG 4.5Å; F144-F149 HydrophobicContact CE1-CD1 4.19Å; F144-L165 HydrophobicContact CE1-CD1 3.79Å; F144-L165 HydrophobicContact CZ-CD1 3.83Å; F144-I170 HydrophobicContact CD2-CG2 3.76Å; F144-I170 HydrophobicContact CE2-CD1 3.95Å; F144-I170 HydrophobicContact CE2-CG1 4.27Å; F144-I170 HydrophobicContact CE2-CG2 3.58Å; F144-I170 HydrophobicContact CZ-CD1 3.92Å; F144-I173 HydrophobicContact CD2-CG1 4.29Å; F144-I173 HydrophobicContact CE2-CD1 4.47Å; F144-I173 HydrophobicContact CE2-CG1 4.01Å; F144-I173 HydrophobicContact CE2-CG2 4.39Å; F144-P174 HydrophobicContact CB-CG 4.02Å; F144-F177 HydrophobicContact CB-CD2 4.48Å; F144-F177 HydrophobicContact CB-CE2 4.38Å; F144-F177 HydrophobicContact CD1-CD2 4.01Å; F144-F177 HydrophobicContact CD1-CE1 4.28Å; F144-F177 AromaticContact CD1-CE2 3.29Å; F144-F177 HydrophobicContact CD1-CE2 3.29Å; F144-F177 AromaticContact CD1-CZ 3.46Å; F144-F177 HydrophobicContact CD1-CZ 3.46Å; F144-F177 VanDerWaalsContact CD1-CZ 3.46Å; F144-F177 HydrophobicContact CE1-CD2 4.47Å; F144-F177 AromaticContact CE1-CE1 3.8Å; F144-F177 HydrophobicContact CE1-CE1 3.8Å; F144-F177 AromaticContact CE1-CE2 3.67Å; F144-F177 HydrophobicContact CE1-CE2 3.67Å; F144-F177 AromaticContact CE1-CZ 3.28Å; F144-F177 HydrophobicContact CE1-CZ 3.28Å; F144-F177 HydrophobicContact CG-CD2 4.24Å; F144-F177 AromaticContact CG-CE2 3.95Å; F144-F177 HydrophobicContact CG-CE2 3.95Å; F144-F177 HydrophobicContact CG-CZ 4.4Å; F144-F177 HydrophobicContact CZ-CE1 4.16Å; F144-F177 HydrophobicContact CZ-CZ 4.09Å; F144-L193 HydrophobicContact CZ-CD2 4.28Å
145	G	76	Confident	85.4	Confident	26 Å²	26	29.4 Å²	29.4	27%	0.268	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	117.8	160.2	178	0	0	0	0	0	113.6	I147 S148 F149	G145-I147 PolarHBondContact O-N 2.94Å; G145-S148 PolarHBondContact O-N 2.95Å; G145-F149 PolarHBondContact N-O 3.2Å; G145-F149 VanDerWaalsContact N-O 3.15Å; G145-F149 CarbonylContact O-C 3.55Å; G145-F149 VanDerWaalsContact O-C 3.23Å; G145-F149 PolarHBondContact O-N 2.05Å
146	S	70.5	Confident	84.7	Confident	79 Å²	79	34.7 Å²	34.7	55%	0.552	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.6	-160.9	-41.2	0	0	0	0	116.4
147	I	77.8	Confident	84.2	Confident	139 Å²	139	33.7 Å²	33.7	71%	0.713	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-23.1	-178.9	-58	173.8	0	0	0	112.1	Q120 G145	Q120-I147 VanDerWaalsContact CD-O 3.25Å; Q120-I147 WeakPolarHBondContact CG-O 3.5Å; Q120-I147 PolarHBondContact NE2-O 3.2Å; G145-I147 PolarHBondContact O-N 2.94Å
148	S	85.4	Confident	83.7	Confident	9 Å²	9	36.7 Å²	36.7	6%	0.063	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-65	-173.6	160.1	0	0	0	0	111.8	K119 Q120 I121 T143 G145	K119-S148 WeakPolarHBondContact O-CB 3.47Å; K119-S148 PolarHBondContact O-OG 3.44Å; Q120-S148 WeakPolarHBondContact CA-O 3.1Å; I121-S148 PolarHBondContact N-O 3.43Å; T143-S148 PolarHBondContact N-OG 2.84Å; T143-S148 VanDerWaalsContact O-CB 3.25Å; T143-S148 WeakPolarHBondContact O-CB 3.38Å; T143-S148 PolarHBondContact O-OG 3.11Å; G145-S148 PolarHBondContact O-N 2.95Å
149	F	86.9	Confident	83.4	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-131.1	85	175.5	-163.5	-83.3	0	0	0	108.9	I121 L137 L142 T143 F144 G145 L154 L165 F177	I121-F149 HydrophobicContact CD1-CD2 3.96Å; I121-F149 HydrophobicContact CD1-CE2 3.95Å; L137-F149 HydrophobicContact CD1-CD2 4.36Å; L137-F149 HydrophobicContact CD1-CE2 3.71Å; L142-F149 HydrophobicContact CD1-CD2 4.21Å; T143-F149 WeakPolarHBondContact O-CB 3.34Å; T143-F149 PolarHBondContact O-N 2.69Å; F144-F149 HydrophobicContact CD1-CB 4.38Å; F144-F149 HydrophobicContact CD1-CD1 4.06Å; F144-F149 HydrophobicContact CD1-CG 4.5Å; F144-F149 HydrophobicContact CE1-CD1 4.19Å; G145-F149 PolarHBondContact N-O 3.2Å; G145-F149 VanDerWaalsContact N-O 3.15Å; G145-F149 CarbonylContact O-C 3.55Å; G145-F149 VanDerWaalsContact O-C 3.23Å; G145-F149 PolarHBondContact O-N 2.05Å; F149-L154 HydrophobicContact CE1-CD1 4.18Å; F149-L154 HydrophobicContact CE1-CD2 4.29Å; F149-L154 HydrophobicContact CE1-CG 4.09Å; F149-L154 HydrophobicContact CZ-CD2 4.06Å; F149-L154 HydrophobicContact CZ-CG 4.35Å; F149-L165 HydrophobicContact CE2-CD2 4.42Å; F149-F177 HydrophobicContact CD1-CE2 4.15Å; F149-F177 AromaticContact CD1-CZ 3.92Å; F149-F177 HydrophobicContact CD1-CZ 3.92Å; F149-F177 AromaticContact CE1-CZ 3.91Å; F149-F177 HydrophobicContact CE1-CZ 3.91Å
150	P	81.4	Confident	83.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.013	21%	0.211	C	C	.	.			trans	-59.8	141.3	175.3	3.3	-9.8	0	0	0	112.6	L123 D152 L153	L123-P150 HydrophobicContact CD1-CB 4.17Å; L123-P150 HydrophobicContact CD1-CG 4.34Å; P150-D152 PolarHBondContact O-N 3.42Å; P150-L153 HydrophobicContact CB-CG 4.46Å; P150-L153 HydrophobicContact CG-CD1 3.75Å; P150-L153 HydrophobicContact CG-CG 3.98Å; P150-L153 PolarHBondContact O-N 2.98Å
151	I	75.3	Confident	83.1	Confident	43 Å²	43	40 Å²	40	22%	0.221	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-42.7	176.3	-73.2	164.7	0	0	0	110.7	L153 L154 F177	I151-L153 PolarHBondContact O-N 3.18Å; I151-L153 VanDerWaalsContact O-N 3.12Å; I151-L154 PolarHBondContact O-N 2.98Å; I151-L154 VanDerWaalsContact O-N 3.15Å; I151-F177 HydrophobicContact CD1-CD2 4.2Å; I151-F177 HydrophobicContact CG1-CB 4.5Å; I151-F177 HydrophobicContact CG1-CD2 3.42Å; I151-F177 VanDerWaalsContact CG1-CD2 3.42Å; I151-F177 HydrophobicContact CG1-CE2 3.86Å; I151-F177 HydrophobicContact CG1-CG 4.24Å
152	D	78.7	Confident	83.2	Confident	59 Å²	59	38.4 Å²	38.4	32%	0.316	21%	0.214	S	C	.	.	H	α-helix	trans	-68.4	-16.3	-170	-48.1	-68.8	0	0	0	114.3	L123 P150 L154 N155 Y156	L123-D152 HydrophobicContact CD1-CB 4.07Å; P150-D152 PolarHBondContact O-N 3.42Å; D152-L154 PolarHBondContact O-N 3.07Å; D152-N155 WeakPolarHBondContact O-CB 3.42Å; D152-N155 PolarHBondContact O-N 3.44Å; D152-N155 PolarHBondContact OD1-ND2 3.13Å; D152-Y156 WeakPolarHBondContact O-CD2 3.35Å; D152-Y156 WeakPolarHBondContact O-CE2 3.14Å
153	L	81.7	Confident	83.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-28.8	173.8	-74.1	172.4	0	0	0	112.8	I121 L126 P150 I151	I121-L153 HydrophobicContact CB-CD1 3.74Å; I121-L153 HydrophobicContact CG2-CD1 3.62Å; I121-L153 HydrophobicContact CG2-CD2 4.24Å; L126-L153 HydrophobicContact CD1-CB 4.39Å; L126-L153 HydrophobicContact CD1-CD2 4.49Å; L126-L153 HydrophobicContact CG-CD2 4.29Å; P150-L153 HydrophobicContact CB-CG 4.46Å; P150-L153 HydrophobicContact CG-CD1 3.75Å; P150-L153 HydrophobicContact CG-CG 3.98Å; P150-L153 PolarHBondContact O-N 2.98Å; I151-L153 PolarHBondContact O-N 3.18Å; I151-L153 VanDerWaalsContact O-N 3.12Å
154	L	81.3	Confident	83.7	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-82.9	-30.9	178	-60.8	-179.2	0	0	0	112	F149 I151 D152 Y156 L157 L160 L163 F177 L181 M186	F149-L154 HydrophobicContact CE1-CD1 4.18Å; F149-L154 HydrophobicContact CE1-CD2 4.29Å; F149-L154 HydrophobicContact CE1-CG 4.09Å; F149-L154 HydrophobicContact CZ-CD2 4.06Å; F149-L154 HydrophobicContact CZ-CG 4.35Å; I151-L154 PolarHBondContact O-N 2.98Å; I151-L154 VanDerWaalsContact O-N 3.15Å; D152-L154 PolarHBondContact O-N 3.07Å; L154-Y156 PolarHBondContact O-N 2.6Å; L154-L157 HydrophobicContact CD2-CD1 4.44Å; L154-L157 PolarHBondContact O-N 2.92Å; L154-L160 HydrophobicContact CD2-CD2 3.85Å; L154-L163 HydrophobicContact CD1-CD2 4.19Å; L154-L163 HydrophobicContact CD2-CD2 4.38Å; L154-F177 HydrophobicContact CD1-CE1 4.03Å; L154-F177 HydrophobicContact CD1-CZ 4.06Å; L154-L181 HydrophobicContact CB-CD2 3.57Å; L154-L181 HydrophobicContact CD1-CD1 4.42Å; L154-L181 HydrophobicContact CD1-CD2 3.98Å; L154-L181 HydrophobicContact CG-CD2 4.41Å; L154-M186 WeakPolarHBondContact O-CE 3.1Å
155	N	78.7	Confident	84.3	Confident	29 Å²	29	36.1 Å²	36.1	16%	0.155	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-28.7	-175.7	-66.7	-10.8	0	0	0	113.6	D152 N180 M186	D152-N155 WeakPolarHBondContact O-CB 3.42Å; D152-N155 PolarHBondContact O-N 3.44Å; D152-N155 PolarHBondContact OD1-ND2 3.13Å; N155-N180 VanDerWaalsContact OD1-CB 3.22Å; N155-N180 WeakPolarHBondContact OD1-CB 3.25Å; N155-M186 WeakPolarHBondContact O-CE 3.15Å
156	Y	78.6	Confident	85.1	Confident	114 Å²	114	34.9 Å²	34.9	45%	0.447	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.3	-177.2	-56.9	-75.3	0	0	0	114.5	N127 D152 L154 P158	N127-Y156 HydrophobicContact CB-CD2 4.28Å; N127-Y156 HydrophobicContact CB-CG 4.04Å; N127-Y156 WeakPolarHBondContact ND2-CD2 3.35Å; N127-Y156 WeakPolarHBondContact ND2-CE2 3.09Å; N127-Y156 WeakPolarHBondContact OD1-CD2 3.47Å; D152-Y156 WeakPolarHBondContact O-CD2 3.35Å; D152-Y156 WeakPolarHBondContact O-CE2 3.14Å; L154-Y156 PolarHBondContact O-N 2.6Å; Y156-P158 VanDerWaalsContact C-CD 3.42Å; Y156-P158 WeakPolarHBondContact O-CD 3.14Å
157	L	86.4	Confident	86.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.			trans	-114.6	67	-174.9	-59.7	179.1	0	0	0	113.3	L126 L129 L132 I135 L154 N159 L160	L126-L157 HydrophobicContact CB-CD1 4.33Å; L126-L157 HydrophobicContact CB-CD2 4.16Å; L126-L157 HydrophobicContact CD1-CD1 4.1Å; L129-L157 HydrophobicContact CB-CD2 4.29Å; L132-L157 HydrophobicContact CB-CD2 4.29Å; L132-L157 HydrophobicContact CD2-CD1 4.28Å; L132-L157 HydrophobicContact CD2-CD2 4.17Å; I135-L157 HydrophobicContact CD1-CD1 3.67Å; L154-L157 HydrophobicContact CD2-CD1 4.44Å; L154-L157 PolarHBondContact O-N 2.92Å; L157-N159 PolarHBondContact O-N 3.29Å; L157-L160 HydrophobicContact CB-CB 4.09Å; L157-L160 HydrophobicContact CD1-CD2 4.38Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.23Å; L157-L160 VanDerWaalsContact O-N 3.08Å
158	P	83.8	Confident	86.7	Confident	67 Å²	67	25.1 Å²	25.1	44%	0.435	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17	-170.3	28	-37.4	0	0	0	114.9	I130 Y156	I130-P158 HydrophobicContact CG2-CG 4.12Å; Y156-P158 VanDerWaalsContact C-CD 3.42Å; Y156-P158 WeakPolarHBondContact O-CD 3.14Å
159	N	88.4	Confident	86.9	Confident	81 Å²	81	26.3 Å²	26.3	43%	0.433	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6.1	178.6	-68.8	-67.5	0	0	0	113.7	I130 L132 K133 L157 I161	I130-N159 PolarHBondContact O-ND2 2.85Å; L132-N159 CarbonylContact O-C 3.55Å; L132-N159 VanDerWaalsContact O-C 3.27Å; K133-N159 WeakPolarHBondContact CA-O 3.46Å; L157-N159 PolarHBondContact O-N 3.29Å; N159-I161 WeakPolarHBondContact O-CG1 3.44Å; N159-I161 PolarHBondContact O-N 3.43Å
160	L	90.4	Very high	86.8	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.031	14%	0.139	C	C	.	.			trans	-68.7	123	-177.4	-168.5	69	0	0	0	111.6	L132 I135 L154 L157 L188	L132-L160 PolarHBondContact O-N 2.83Å; I135-L160 HydrophobicContact CB-CD1 4.33Å; I135-L160 HydrophobicContact CD1-CD1 3.87Å; I135-L160 HydrophobicContact CD1-CD2 4.35Å; I135-L160 HydrophobicContact CG1-CD1 3.84Å; L154-L160 HydrophobicContact CD2-CD2 3.85Å; L157-L160 HydrophobicContact CB-CB 4.09Å; L157-L160 HydrophobicContact CD1-CD2 4.38Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.23Å; L157-L160 VanDerWaalsContact O-N 3.08Å; L160-L188 HydrophobicContact CD2-CD1 4.47Å; L160-L188 HydrophobicContact CG-CD1 4.33Å
161	I	92.2	Very high	86.6	Confident	58 Å²	58	30.3 Å²	30.3	30%	0.297	16%	0.16	S	C	.	.			trans	-116.6	-27.7	-176.4	-69.9	160.8	0	0	0	111.1	K133 N159 Q189 Y190	K133-I161 HydrophobicContact CB-CD1 4.5Å; K133-I161 PolarHBondContact O-N 3.47Å; N159-I161 WeakPolarHBondContact O-CG1 3.44Å; N159-I161 PolarHBondContact O-N 3.43Å; I161-Q189 HydrophobicContact CG2-CB 4.15Å; I161-Q189 PolarHBondContact O-N 3.1Å; I161-Y190 HydrophobicContact CG2-CD2 4.09Å; I161-Y190 HydrophobicContact CG2-CE2 4.16Å; I161-Y190 PolarHBondContact O-N 3.15Å; I161-Y190 VanDerWaalsContact O-N 3.1Å
162	S	94.2	Very high	86.5	Confident	16 Å²	16	32 Å²	32	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.3	-169.6	162	0	0	0	0	111.3	K133 S134 I135	K133-S162 PolarHBondContact O-N 3.46Å; S134-S162 WeakPolarHBondContact CA-O 3.5Å; S134-S162 PolarHBondContact OG-OG 3.3Å; I135-S162 PolarHBondContact N-O 2.95Å
163	L	93.7	Very high	86.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.2	178.2	179	60	0	0	0	110.7	I135 L154 L165 L188 Y190 L191 W192	I135-L163 HydrophobicContact CB-CD1 3.94Å; I135-L163 HydrophobicContact CG2-CD1 3.74Å; I135-L163 WeakPolarHBondContact O-CA 3.42Å; L154-L163 HydrophobicContact CD1-CD2 4.19Å; L154-L163 HydrophobicContact CD2-CD2 4.38Å; L163-L165 HydrophobicContact CD1-CD1 4.27Å; L163-L165 HydrophobicContact CD1-CG 4.11Å; L163-L165 HydrophobicContact CD2-CD1 3.96Å; L163-L165 HydrophobicContact CG-CD1 4.05Å; L163-L165 HydrophobicContact CG-CG 4.18Å; L163-L188 HydrophobicContact CB-CD1 3.85Å; L163-Y190 PolarHBondContact N-O 2.74Å; L163-L191 HydrophobicContact CB-CD1 4.41Å; L163-L191 HydrophobicContact CD2-CD1 4.34Å; L163-L191 HydrophobicContact CG-CD1 4.38Å; L163-L191 WeakPolarHBondContact O-CA 3.39Å; L163-W192 PolarHBondContact O-N 2.9Å
164	N	95.1	Very high	86	Confident	24 Å²	24	31 Å²	31	13%	0.128	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.7	174.3	-171	-18.4	0	0	0	110.7	I135 N136 L137 A166 W192	I135-N164 PolarHBondContact O-N 2.87Å; N136-N164 HydrophobicContact CB-CB 4.33Å; L137-N164 PolarHBondContact N-O 2.84Å; N164-A166 VanDerWaalsContact OD1-CB 3.26Å; N164-A166 WeakPolarHBondContact OD1-CB 3.05Å; N164-A166 PolarHBondContact OD1-N 2.73Å; N164-W192 HydrophobicContact CB-CB 4.37Å; N164-W192 HydrophobicContact CB-CD2 4.3Å; N164-W192 HydrophobicContact CB-CE3 3.64Å; N164-W192 HydrophobicContact CB-CZ3 4.26Å
165	L	93.3	Very high	85.2	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.188	C	C	.	.			trans	-121	12.2	177.7	-74.7	166.8	0	0	0	112	L137 L142 F144 F149 L163 N168 I170 W192 L193	L137-L165 HydrophobicContact CB-CD2 4.18Å; L137-L165 HydrophobicContact CD1-CD2 4.16Å; L142-L165 HydrophobicContact CD1-CD2 4.33Å; F144-L165 HydrophobicContact CE1-CD1 3.79Å; F144-L165 HydrophobicContact CZ-CD1 3.83Å; F149-L165 HydrophobicContact CE2-CD2 4.42Å; L163-L165 HydrophobicContact CD1-CD1 4.27Å; L163-L165 HydrophobicContact CD1-CG 4.11Å; L163-L165 HydrophobicContact CD2-CD1 3.96Å; L163-L165 HydrophobicContact CG-CD1 4.05Å; L163-L165 HydrophobicContact CG-CG 4.18Å; L165-N168 WeakPolarHBondContact O-CB 3.29Å; L165-N168 PolarHBondContact O-ND2 2.95Å; L165-I170 HydrophobicContact CB-CD1 4.13Å; L165-W192 PolarHBondContact N-O 3.08Å; L165-L193 HydrophobicContact CB-CD2 4.06Å; L165-L193 HydrophobicContact CD1-CD2 4.3Å
166	A	92.8	Very high	84.6	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	154	-178.5	0	0	0	0	0	113.1	R138 N139 N164 N168 W192 N194	R138-A166 CarbonylContact C-O 3.53Å; R138-A166 VanDerWaalsContact CA-O 3.26Å; R138-A166 WeakPolarHBondContact CA-O 3.43Å; R138-A166 HydrophobicContact CG-CB 4.3Å; N139-A166 PolarHBondContact N-O 2.8Å; N164-A166 VanDerWaalsContact OD1-CB 3.26Å; N164-A166 WeakPolarHBondContact OD1-CB 3.05Å; N164-A166 PolarHBondContact OD1-N 2.73Å; A166-N168 PolarHBondContact O-N 2.94Å; A166-N168 PolarHBondContact O-ND2 2.79Å; A166-W192 HydrophobicContact CB-CB 4.41Å; A166-W192 PolarHBondContact N-O 3.06Å; A166-N194 CarbonylContact C-O 3.49Å; A166-N194 VanDerWaalsContact CA-O 3.28Å; A166-N194 WeakPolarHBondContact CA-O 3.15Å; A166-N194 WeakPolarHBondContact CB-O 3.47Å; A166-N194 WeakPolarHBondContact CB-OD1 3.46Å
167	E	91.5	Very high	84.3	Confident	11 Å²	11	33 Å²	33	5%	0.051	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.2	178.8	-61	168	171.8	0	0	113.5	R138 N139 N194 S195 K197	R138-E167 HydrophobicContact CG-CB 4.46Å; R138-E167 IonicContact CZ-OE1 3.93Å; R138-E167 IonicContact CZ-OE2 3.12Å; R138-E167 IonicContact NE-OE1 2.7Å; R138-E167 IonicContact NE-OE2 2.77Å; R138-E167 PolarHBondContact NE-OE2 3.41Å; R138-E167 VanDerWaalsContact NH2-CD 3.31Å; R138-E167 IonicContact NH2-OE1 3.43Å; R138-E167 PolarHBondContact NH2-OE1 3.45Å; R138-E167 IonicContact NH2-OE2 2.66Å; R138-E167 PolarHBondContact NH2-OE2 3.42Å; N139-E167 VanDerWaalsContact CA-O 3.29Å; N139-E167 WeakPolarHBondContact CA-O 3.33Å; N139-E167 HydrophobicContact CB-CB 4.02Å; E167-N194 PolarHBondContact N-O 2.92Å; E167-S195 VanDerWaalsContact CA-O 3.24Å; E167-S195 WeakPolarHBondContact CA-O 3.34Å; E167-K197 WeakPolarHBondContact O-CD 3.5Å; E167-K197 WeakPolarHBondContact O-CE 3.32Å; E167-K197 PolarHBondContact O-NZ 3.21Å
168	N	92	Very high	83.7	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-106.9	157.5	166.8	-78.4	-78.3	0	0	0	110.8	L137 N140 S141 L142 L165 A166 I170 V196 K197	L137-N168 PolarHBondContact O-ND2 2.89Å; N140-N168 WeakPolarHBondContact CA-OD1 3.23Å; N140-N168 VanDerWaalsContact CB-OD1 3.29Å; N140-N168 WeakPolarHBondContact CB-OD1 3.49Å; N140-N168 PolarHBondContact N-OD1 2.98Å; S141-N168 PolarHBondContact N-OD1 2.9Å; L142-N168 PolarHBondContact N-OD1 3.04Å; L165-N168 WeakPolarHBondContact O-CB 3.29Å; L165-N168 PolarHBondContact O-ND2 2.95Å; A166-N168 PolarHBondContact O-N 2.94Å; A166-N168 PolarHBondContact O-ND2 2.79Å; N168-I170 HydrophobicContact CB-CD1 4.1Å; N168-I170 HydrophobicContact CB-CG1 4.05Å; N168-I170 PolarHBondContact O-N 3.27Å; N168-V196 WeakPolarHBondContact O-CA 3.35Å; N168-K197 PolarHBondContact O-N 2.78Å
169	P	88.8	Confident	83	Confident	35 Å²	35	35.9 Å²	35.9	23%	0.227	19%	0.186	C	C	.	.			trans	-77.5	48.5	178.1	35	-38.8	0	0	0	112.6	L142 T143 D171 K197	L142-P169 WeakPolarHBondContact O-CD 3.32Å; T143-P169 HydrophobicContact CG2-CG 4.27Å; P169-D171 PolarHBondContact O-N 3.18Å; P169-K197 HydrophobicContact CB-CB 4.06Å
170	I	84.4	Confident	81.8	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.015	18%	0.178	C	C	.	.			trans	-76.6	116.7	179.1	-64.4	167.7	0	0	0	108.8	F144 L165 N168 I173 L193 V196 S198	F144-I170 HydrophobicContact CD2-CG2 3.76Å; F144-I170 HydrophobicContact CE2-CD1 3.95Å; F144-I170 HydrophobicContact CE2-CG1 4.27Å; F144-I170 HydrophobicContact CE2-CG2 3.58Å; F144-I170 HydrophobicContact CZ-CD1 3.92Å; L165-I170 HydrophobicContact CB-CD1 4.13Å; N168-I170 HydrophobicContact CB-CD1 4.1Å; N168-I170 HydrophobicContact CB-CG1 4.05Å; N168-I170 PolarHBondContact O-N 3.27Å; I170-I173 HydrophobicContact CG2-CG1 4.41Å; I170-L193 HydrophobicContact CD1-CD2 4.17Å; I170-V196 HydrophobicContact CB-CG1 4.32Å; I170-S198 WeakPolarHBondContact O-CB 3.24Å; I170-S198 PolarHBondContact O-OG 3.16Å
171	D	77.6	Confident	80.8	Confident	84 Å²	84	34.4 Å²	34.4	45%	0.449	18%	0.178	S	C	.	.			trans	-109.6	-46.9	-179.2	52.7	-8	0	0	0	112.1	P169 I201 I202	P169-D171 PolarHBondContact O-N 3.18Å; D171-I201 WeakPolarHBondContact O-CA 3.47Å; D171-I202 PolarHBondContact O-N 2.95Å
172	L	73.9	Confident	79.5	Confident	77 Å²	77	36.4 Å²	36.4	40%	0.403	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-117.8	132.8	176.8	-176.6	65.1	0	0	0	110.7	I202	L172-I202 HydrophobicContact CD1-CB 4.31Å; L172-I202 HydrophobicContact CD1-CG2 4.5Å
173	I	78.1	Confident	77.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-96.1	116.7	164.2	-51.9	-169.8	0	0	0	107.4	F144 I170 F177 F178 L193 I201 F203 H207	F144-I173 HydrophobicContact CD2-CG1 4.29Å; F144-I173 HydrophobicContact CE2-CD1 4.47Å; F144-I173 HydrophobicContact CE2-CG1 4.01Å; F144-I173 HydrophobicContact CE2-CG2 4.39Å; I170-I173 HydrophobicContact CG2-CG1 4.41Å; I173-F177 HydrophobicContact CG2-CB 4.28Å; I173-F178 HydrophobicContact CD1-CE2 4.45Å; I173-F178 HydrophobicContact CG2-CD2 4.49Å; I173-F178 HydrophobicContact CG2-CE2 3.92Å; I173-L193 HydrophobicContact CD1-CD1 4.14Å; I173-I201 HydrophobicContact CD1-CG2 3.96Å; I173-I201 HydrophobicContact CG1-CG2 3.82Å; I173-F203 HydrophobicContact CD1-CD1 4.15Å; I173-F203 HydrophobicContact CD1-CE1 3.57Å; I173-F203 HydrophobicContact CD1-CZ 3.85Å; I173-H207 PolarHBondContact O-CE1 3.31Å
174	P	71.8	Confident	76.2	Confident	37 Å²	37	43 Å²	43	24%	0.24	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-63.8	145.6	180	-23.6	34.1	0	0	0	112.7	F144 F177	F144-P174 HydrophobicContact CB-CG 4.02Å; P174-F177 HydrophobicContact CB-CB 4.48Å; P174-F177 WeakPolarHBondContact O-CB 3.36Å; P174-F177 PolarHBondContact O-N 2.87Å; P174-F177 VanDerWaalsContact O-N 3.16Å
175	D	64.6	Low	74.6	Confident	90 Å²	90	47.6 Å²	47.6	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	142.3	164.5	-93.4	1.8	0	0	0	111.3	F177 H207	D175-F177 PolarHBondContact O-N 3.01Å; D175-H207 IonicContact OD1-CD2 3.59Å; D175-H207 PolarHBondContact OD1-CD2 3.39Å; D175-H207 IonicContact OD1-CE1 2.61Å; D175-H207 IonicContact OD1-NE2 2.64Å; D175-H207 PolarHBondContact OD1-NE2 3.3Å
176	L	66.1	Low	73.5	Confident	93 Å²	93	48 Å²	48	49%	0.487	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	2.6	-178.4	-51.9	172.6	0	0	0	116	F178 Y179	L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 2.86Å; L176-Y179 HydrophobicContact CD2-CD1 4.24Å; L176-Y179 HydrophobicContact CD2-CD2 4.01Å; L176-Y179 HydrophobicContact CD2-CG 3.77Å; L176-Y179 VanDerWaalsContact O-CB 3.26Å; L176-Y179 WeakPolarHBondContact O-CB 3.26Å; L176-Y179 PolarHBondContact O-N 2.64Å
177	F	70.6	Confident	72.9	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.013	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-44.2	179.2	-177.6	-83.1	0	0	0	112.8	F144 F149 I151 L154 I173 P174 D175	F144-F177 HydrophobicContact CB-CD2 4.48Å; F144-F177 HydrophobicContact CB-CE2 4.38Å; F144-F177 HydrophobicContact CD1-CD2 4.01Å; F144-F177 HydrophobicContact CD1-CE1 4.28Å; F144-F177 AromaticContact CD1-CE2 3.29Å; F144-F177 HydrophobicContact CD1-CE2 3.29Å; F144-F177 AromaticContact CD1-CZ 3.46Å; F144-F177 HydrophobicContact CD1-CZ 3.46Å; F144-F177 VanDerWaalsContact CD1-CZ 3.46Å; F144-F177 HydrophobicContact CE1-CD2 4.47Å; F144-F177 AromaticContact CE1-CE1 3.8Å; F144-F177 HydrophobicContact CE1-CE1 3.8Å; F144-F177 AromaticContact CE1-CE2 3.67Å; F144-F177 HydrophobicContact CE1-CE2 3.67Å; F144-F177 AromaticContact CE1-CZ 3.28Å; F144-F177 HydrophobicContact CE1-CZ 3.28Å; F144-F177 HydrophobicContact CG-CD2 4.24Å; F144-F177 AromaticContact CG-CE2 3.95Å; F144-F177 HydrophobicContact CG-CE2 3.95Å; F144-F177 HydrophobicContact CG-CZ 4.4Å; F144-F177 HydrophobicContact CZ-CE1 4.16Å; F144-F177 HydrophobicContact CZ-CZ 4.09Å; F149-F177 HydrophobicContact CD1-CE2 4.15Å; F149-F177 AromaticContact CD1-CZ 3.92Å; F149-F177 HydrophobicContact CD1-CZ 3.92Å; F149-F177 AromaticContact CE1-CZ 3.91Å; F149-F177 HydrophobicContact CE1-CZ 3.91Å; I151-F177 HydrophobicContact CD1-CD2 4.2Å; I151-F177 HydrophobicContact CG1-CB 4.5Å; I151-F177 HydrophobicContact CG1-CD2 3.42Å; I151-F177 VanDerWaalsContact CG1-CD2 3.42Å; I151-F177 HydrophobicContact CG1-CE2 3.86Å; I151-F177 HydrophobicContact CG1-CG 4.24Å; L154-F177 HydrophobicContact CD1-CE1 4.03Å; L154-F177 HydrophobicContact CD1-CZ 4.06Å; I173-F177 HydrophobicContact CG2-CB 4.28Å; P174-F177 HydrophobicContact CB-CB 4.48Å; P174-F177 WeakPolarHBondContact O-CB 3.36Å; P174-F177 PolarHBondContact O-N 2.87Å; P174-F177 VanDerWaalsContact O-N 3.16Å; D175-F177 PolarHBondContact O-N 3.01Å
178	F	74.2	Confident	72.7	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.022	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.1	176.1	-62.1	-61.1	0	0	0	114.1	I173 L176 N180 L181 L191 L193 S210 L211	I173-F178 HydrophobicContact CD1-CE2 4.45Å; I173-F178 HydrophobicContact CG2-CD2 4.49Å; I173-F178 HydrophobicContact CG2-CE2 3.92Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 2.86Å; F178-N180 PolarHBondContact O-N 3.3Å; F178-L181 HydrophobicContact CD1-CD1 3.88Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.03Å; F178-L191 HydrophobicContact CE1-CD2 3.99Å; F178-L191 HydrophobicContact CZ-CD2 3.93Å; F178-L193 HydrophobicContact CZ-CD1 4.43Å; F178-S210 VanDerWaalsContact C-CB 3.46Å; F178-S210 WeakPolarHBondContact O-CB 3.18Å; F178-L211 HydrophobicContact CB-CD1 4.26Å; F178-L211 HydrophobicContact CB-CD2 3.9Å; F178-L211 HydrophobicContact CB-CG 3.97Å; F178-L211 HydrophobicContact CD1-CD1 3.91Å; F178-L211 HydrophobicContact CD1-CD2 3.87Å; F178-L211 HydrophobicContact CD1-CG 4.29Å; F178-L211 HydrophobicContact CD2-CD1 4.05Å; F178-L211 HydrophobicContact CE1-CD1 4.23Å; F178-L211 HydrophobicContact CE2-CD1 4.36Å; F178-L211 HydrophobicContact CG-CD1 3.81Å; F178-L211 HydrophobicContact CG-CD2 4.05Å; F178-L211 HydrophobicContact CG-CG 4.07Å; F178-L211 HydrophobicContact CZ-CD1 4.46Å
179	Y	69.9	Low	72.7	Confident	123 Å²	123	56.2 Å²	56.2	48%	0.482	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-41.7	-175.8	-176.7	-93.9	0	0	0	112.4	L176 L181 H182 S183 S210	L176-Y179 HydrophobicContact CD2-CD1 4.24Å; L176-Y179 HydrophobicContact CD2-CD2 4.01Å; L176-Y179 HydrophobicContact CD2-CG 3.77Å; L176-Y179 VanDerWaalsContact O-CB 3.26Å; L176-Y179 WeakPolarHBondContact O-CB 3.26Å; L176-Y179 PolarHBondContact O-N 2.64Å; Y179-L181 PolarHBondContact O-N 2.98Å; Y179-H182 WeakPolarHBondContact O-CB 3.44Å; Y179-H182 PolarHBondContact O-N 2.88Å; Y179-S183 PolarHBondContact O-N 2.92Å; Y179-S210 WeakPolarHBondContact CA-OG 3.43Å
180	N	63.3	Low	73	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-66.4	-21.8	179.7	-63.7	-10.2	0	0	0	112.6	N155 F178 H182 N184	N155-N180 VanDerWaalsContact OD1-CB 3.22Å; N155-N180 WeakPolarHBondContact OD1-CB 3.25Å; F178-N180 PolarHBondContact O-N 3.3Å; N180-H182 VanDerWaalsContact C-N 3.35Å; N180-N184 WeakPolarHBondContact O-CB 3.45Å; N180-N184 PolarHBondContact O-N 3.37Å; N180-N184 VanDerWaalsContact O-N 3.11Å; N180-N184 PolarHBondContact O-ND2 2.84Å
181	L	68.2	Low	73.4	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-68.6	-35.5	173	-49.9	-173.9	0	0	0	111.7	L154 F178 Y179 M186 L188 L211	L154-L181 HydrophobicContact CB-CD2 3.57Å; L154-L181 HydrophobicContact CD1-CD1 4.42Å; L154-L181 HydrophobicContact CD1-CD2 3.98Å; L154-L181 HydrophobicContact CG-CD2 4.41Å; F178-L181 HydrophobicContact CD1-CD1 3.88Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.03Å; Y179-L181 PolarHBondContact O-N 2.98Å; L181-M186 HydrophobicContact CB-CB 4.34Å; L181-M186 HydrophobicContact CD2-SD 3.83Å; L181-M186 WeakPolarHBondContact O-CB 3.42Å; L181-M186 PolarHBondContact O-N 3.34Å; L181-L188 HydrophobicContact CD1-CD2 4.37Å; L181-L211 HydrophobicContact CD1-CD2 3.97Å
182	H	65.2	Low	74.2	Confident	101 Å²	101	55.3 Å²	55.3	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-47	175.7	-169.9	58.5	0	0	0	111.2	Y179 N180 N184 N185	Y179-H182 WeakPolarHBondContact O-CB 3.44Å; Y179-H182 PolarHBondContact O-N 2.88Å; N180-H182 VanDerWaalsContact C-N 3.35Å; H182-N184 VanDerWaalsContact C-N 3.31Å; H182-N184 PolarHBondContact O-N 3.29Å; H182-N185 PolarHBondContact O-N 3.15Å
183	S	59	Low	75	Confident	87 Å²	87	51.7 Å²	51.7	61%	0.608	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-41.2	177.6	-173	0	0	0	0	112.4	Y179 N185	Y179-S183 PolarHBondContact O-N 2.92Å; S183-N185 PolarHBondContact O-N 3.43Å
184	N	60.2	Low	75.5	Confident	67 Å²	67	52.2 Å²	52.2	36%	0.358	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	16.8	180	-69.8	-60.9	0	0	0	114.7	N180 H182 M186	N180-N184 WeakPolarHBondContact O-CB 3.45Å; N180-N184 PolarHBondContact O-N 3.37Å; N180-N184 VanDerWaalsContact O-N 3.11Å; N180-N184 PolarHBondContact O-ND2 2.84Å; H182-N184 VanDerWaalsContact C-N 3.31Å; H182-N184 PolarHBondContact O-N 3.29Å; N184-M186 HydrophobicContact CB-CE 3.54Å; N184-M186 HydrophobicContact CB-CG 3.98Å; N184-M186 HydrophobicContact CB-SD 4.32Å; N184-M186 PolarHBondContact O-N 3.11Å; N184-M186 VanDerWaalsContact O-N 3.14Å
185	N	61.3	Low	76	Confident	120 Å²	120	51.2 Å²	51.2	64%	0.642	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	24.9	179.4	-86.9	-55.3	0	0	0	115	H182 S183	H182-N185 PolarHBondContact O-N 3.15Å; S183-N185 PolarHBondContact O-N 3.43Å
186	M	70.6	Confident	76.6	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.069	24%	0.237	C	C	.	.			trans	-75.5	138.9	-172.4	-61.8	-170.8	178.1	0	0	112.4	L154 N155 L181 N184 Y213	L154-M186 WeakPolarHBondContact O-CE 3.1Å; N155-M186 WeakPolarHBondContact O-CE 3.15Å; L181-M186 HydrophobicContact CB-CB 4.34Å; L181-M186 HydrophobicContact CD2-SD 3.83Å; L181-M186 WeakPolarHBondContact O-CB 3.42Å; L181-M186 PolarHBondContact O-N 3.34Å; N184-M186 HydrophobicContact CB-CE 3.54Å; N184-M186 HydrophobicContact CB-CG 3.98Å; N184-M186 HydrophobicContact CB-SD 4.32Å; N184-M186 PolarHBondContact O-N 3.11Å; N184-M186 VanDerWaalsContact O-N 3.14Å; M186-Y213 WeakPolarHBondContact O-CD2 3.44Å
187	K	78.9	Confident	77.1	Confident	115 Å²	115	48.3 Å²	48.3	50%	0.5	24%	0.235	S	C	.	.			trans	-110.1	48.9	-171.2	-62	179.4	-175.5	174.8	0	111.6	Q189 Y213	K187-Q189 PolarHBondContact O-N 3.12Å; K187-Q189 PolarHBondContact O-NE2 3.26Å; K187-Y213 HydrophobicContact CB-CD2 4.48Å; K187-Y213 HydrophobicContact CG-CD2 4.05Å; K187-Y213 HydrophobicContact CG-CE2 4.21Å; K187-Y213 HydrophobicContact CG-CG 4.33Å
188	L	88.4	Confident	77.5	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.037	24%	0.242	C	C	.	.			trans	-60.3	118.7	174.8	-169.3	75.6	0	0	0	109.4	L160 L163 L181 L191 L211 Y213 L214	L160-L188 HydrophobicContact CD2-CD1 4.47Å; L160-L188 HydrophobicContact CG-CD1 4.33Å; L163-L188 HydrophobicContact CB-CD1 3.85Å; L181-L188 HydrophobicContact CD1-CD2 4.37Å; L188-L191 HydrophobicContact CD2-CB 4.38Å; L188-L211 HydrophobicContact CD2-CD2 4.25Å; L188-Y213 CarbonylContact O-C 3.16Å; L188-L214 PolarHBondContact O-N 2.68Å
189	Q	92.2	Very high	77.4	Confident	63 Å²	63	57.4 Å²	57.4	29%	0.294	29%	0.286	S	S	.	.			trans	-109.4	-30.6	-177.7	-76.7	152	66.4	0	0	111.9	I161 K187 Y213 Y215 L216	I161-Q189 HydrophobicContact CG2-CB 4.15Å; I161-Q189 PolarHBondContact O-N 3.1Å; K187-Q189 PolarHBondContact O-N 3.12Å; K187-Q189 PolarHBondContact O-NE2 3.26Å; Q189-Y213 WeakPolarHBondContact CG-O 3.45Å; Q189-Y215 WeakPolarHBondContact O-CA 3.47Å; Q189-Y215 WeakPolarHBondContact O-CB 3.49Å; Q189-Y215 PolarHBondContact O-N 3.21Å; Q189-L216 PolarHBondContact O-N 3.27Å
190	Y	94.1	Very high	77.6	Confident	44 Å²	44	52.2 Å²	52.2	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120	-175.4	-52.6	-97.4	0	0	0	110.5	I161 L163 W192 Y215 L216 D848	I161-Y190 HydrophobicContact CG2-CD2 4.09Å; I161-Y190 HydrophobicContact CG2-CE2 4.16Å; I161-Y190 PolarHBondContact O-N 3.15Å; I161-Y190 VanDerWaalsContact O-N 3.1Å; L163-Y190 PolarHBondContact N-O 2.74Å; Y190-W192 VanDerWaalsContact CB-CH2 3.48Å; Y190-W192 HydrophobicContact CD1-CH2 4.22Å; Y190-W192 HydrophobicContact CD1-CZ2 4.41Å; Y190-W192 HydrophobicContact CG-CH2 4.11Å; Y190-Y215 AromaticContact CE1-CD1 3.85Å; Y190-Y215 HydrophobicContact CE1-CD1 3.85Å; Y190-Y215 HydrophobicContact CE1-CE1 4.32Å; Y190-L216 HydrophobicContact CD1-CB 3.74Å; Y190-L216 HydrophobicContact CD1-CD1 4.24Å; Y190-L216 HydrophobicContact CE1-CB 4.37Å; Y190-D848 PolarHBondContact OH-OD1 3.04Å
191	L	93.2	Very high	78.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.5	178.2	178.8	58.4	0	0	0	110.6	L163 F178 L188 L193 L211 L214 L216 L217 D218	L163-L191 HydrophobicContact CB-CD1 4.41Å; L163-L191 HydrophobicContact CD2-CD1 4.34Å; L163-L191 HydrophobicContact CG-CD1 4.38Å; L163-L191 WeakPolarHBondContact O-CA 3.39Å; F178-L191 HydrophobicContact CE1-CD2 3.99Å; F178-L191 HydrophobicContact CZ-CD2 3.93Å; L188-L191 HydrophobicContact CD2-CB 4.38Å; L191-L193 HydrophobicContact CD1-CD1 4.47Å; L191-L193 HydrophobicContact CD1-CD2 4.33Å; L191-L193 HydrophobicContact CD1-CG 4.12Å; L191-L193 HydrophobicContact CD2-CD1 4.14Å; L191-L193 HydrophobicContact CG-CD1 4.25Å; L191-L193 HydrophobicContact CG-CG 4.18Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å; L191-L214 HydrophobicContact CB-CD2 3.87Å; L191-L216 PolarHBondContact N-O 3.05Å; L191-L217 HydrophobicContact CB-CD1 4.3Å; L191-L217 HydrophobicContact CD2-CD1 4.03Å; L191-L217 HydrophobicContact CG-CD1 4.19Å; L191-D218 PolarHBondContact O-N 2.77Å
192	W	93.8	Very high	78.3	Confident	59 Å²	59	55.2 Å²	55.2	22%	0.223	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.3	173.8	-59.1	-94.1	0	0	0	110.6	L163 N164 L165 A166 Y190 L216 D218	L163-W192 PolarHBondContact O-N 2.9Å; N164-W192 HydrophobicContact CB-CB 4.37Å; N164-W192 HydrophobicContact CB-CD2 4.3Å; N164-W192 HydrophobicContact CB-CE3 3.64Å; N164-W192 HydrophobicContact CB-CZ3 4.26Å; L165-W192 PolarHBondContact N-O 3.08Å; A166-W192 HydrophobicContact CB-CB 4.41Å; A166-W192 PolarHBondContact N-O 3.06Å; Y190-W192 VanDerWaalsContact CB-CH2 3.48Å; Y190-W192 HydrophobicContact CD1-CH2 4.22Å; Y190-W192 HydrophobicContact CD1-CZ2 4.41Å; Y190-W192 HydrophobicContact CG-CH2 4.11Å; W192-L216 HydrophobicContact CD2-CD2 4.25Å; W192-L216 HydrophobicContact CG-CD2 4.36Å; W192-L216 HydrophobicContact CZ2-CD1 4.22Å; W192-L216 HydrophobicContact CZ2-CD2 4.23Å; W192-D218 HydrophobicContact CB-CB 4.46Å; W192-D218 HydrophobicContact CG-CB 4.27Å
193	L	91.1	Very high	78.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.268	C	S	.	.			trans	-121.9	15.5	175	-64.5	168.8	0	0	0	111.4	F144 L165 I170 I173 F178 L191 I201 D218 L219 T222	F144-L193 HydrophobicContact CZ-CD2 4.28Å; L165-L193 HydrophobicContact CB-CD2 4.06Å; L165-L193 HydrophobicContact CD1-CD2 4.3Å; I170-L193 HydrophobicContact CD1-CD2 4.17Å; I173-L193 HydrophobicContact CD1-CD1 4.14Å; F178-L193 HydrophobicContact CZ-CD1 4.43Å; L191-L193 HydrophobicContact CD1-CD1 4.47Å; L191-L193 HydrophobicContact CD1-CD2 4.33Å; L191-L193 HydrophobicContact CD1-CG 4.12Å; L191-L193 HydrophobicContact CD2-CD1 4.14Å; L191-L193 HydrophobicContact CG-CD1 4.25Å; L191-L193 HydrophobicContact CG-CG 4.18Å; L193-I201 HydrophobicContact CB-CD1 4.45Å; L193-D218 PolarHBondContact N-O 2.97Å; L193-L219 HydrophobicContact CB-CD2 3.96Å; L193-L219 HydrophobicContact CD1-CD2 4.01Å; L193-T222 VanDerWaalsContact O-CG2 3.3Å; L193-T222 WeakPolarHBondContact O-CG2 3.18Å
194	N	89.4	Confident	78.3	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.059	26%	0.257	C	S	.	.			trans	-71.2	159.7	-170.4	73.6	-98.9	0	0	0	114.1	A166 E167 D218 S220	A166-N194 CarbonylContact C-O 3.49Å; A166-N194 VanDerWaalsContact CA-O 3.28Å; A166-N194 WeakPolarHBondContact CA-O 3.15Å; A166-N194 WeakPolarHBondContact CB-O 3.47Å; A166-N194 WeakPolarHBondContact CB-OD1 3.46Å; E167-N194 PolarHBondContact N-O 2.92Å; N194-D218 WeakPolarHBondContact CB-OD1 3.04Å; N194-D218 PolarHBondContact N-O 3.39Å; N194-S220 CarbonylContact C-O 3.59Å; N194-S220 WeakPolarHBondContact CA-O 3.35Å; N194-S220 WeakPolarHBondContact CB-O 3.35Å; N194-S220 WeakPolarHBondContact CB-OG 3.14Å
195	S	81.1	Confident	78.3	Confident	16 Å²	16	50.5 Å²	50.5	11%	0.112	26%	0.256	C	S	.	.	S	Bend	trans	56.5	52.4	172.2	-50.6	0	0	0	0	113.9	E167 S220 Y221	E167-S195 VanDerWaalsContact CA-O 3.24Å; E167-S195 WeakPolarHBondContact CA-O 3.34Å; S195-S220 PolarHBondContact N-O 3.33Å; S195-Y221 WeakPolarHBondContact CA-O 3.33Å; S195-Y221 PolarHBondContact N-O 3.17Å; S195-Y221 VanDerWaalsContact N-O 3.12Å
196	V	78.3	Confident	78.3	Confident	21 Å²	21	48 Å²	48	13%	0.127	24%	0.242	C	C	.	.			trans	-63.8	152.5	-177.8	-66.1	0	0	0	0	113.1	N168 I170 S198 I201 Y221 T222	N168-V196 WeakPolarHBondContact O-CA 3.35Å; I170-V196 HydrophobicContact CB-CG1 4.32Å; V196-S198 WeakPolarHBondContact CB-OG 3.42Å; V196-S198 WeakPolarHBondContact CG2-OG 3.43Å; V196-I201 HydrophobicContact CG1-CD1 3.68Å; V196-I201 HydrophobicContact CG1-CG1 3.7Å; V196-I201 HydrophobicContact CG2-CG1 4.24Å; V196-Y221 PolarHBondContact N-O 2.95Å; V196-T222 HydrophobicContact CG1-CG2 4.34Å
197	K	76.8	Confident	78.1	Confident	102 Å²	102	48 Å²	48	44%	0.443	24%	0.242	S	C	.	.	S	Bend	trans	-94.7	9.6	174.6	-65.4	170.5	174.3	153.3	0	113.1	N139 N140 E167 N168 P169	N139-K197 PolarHBondContact O-NZ 2.05Å; N139-K197 WeakPolarHBondContact OD1-CE 3.12Å; N139-K197 PolarHBondContact OD1-NZ 3.16Å; N140-K197 PolarHBondContact O-NZ 3.1Å; E167-K197 WeakPolarHBondContact O-CD 3.5Å; E167-K197 WeakPolarHBondContact O-CE 3.32Å; E167-K197 PolarHBondContact O-NZ 3.21Å; N168-K197 PolarHBondContact O-N 2.78Å; P169-K197 HydrophobicContact CB-CB 4.06Å
198	S	77.8	Confident	77.9	Confident	24 Å²	24	42.6 Å²	42.6	17%	0.168	22%	0.219	C	C	.	.	S	Bend	trans	-93.8	-179.7	175.9	60.1	0	0	0	0	110.7	I170 V196 G200	I170-S198 WeakPolarHBondContact O-CB 3.24Å; I170-S198 PolarHBondContact O-OG 3.16Å; V196-S198 WeakPolarHBondContact CB-OG 3.42Å; V196-S198 WeakPolarHBondContact CG2-OG 3.43Å; S198-G200 PolarHBondContact O-N 3.15Å; S198-G200 PolarHBondContact OG-N 3.33Å; S198-G200 PolarHBondContact OG-O 3.06Å
199	N	73.1	Confident	77.2	Confident	175 Å²	175	45.3 Å²	45.3	94%	0.936	23%	0.233	S	C	*	.	S	Bend	trans	-79.9	21.5	170.9	-64.2	-10.8	0	0	0	112.7
200	G	72.8	Confident	76.3	Confident	14 Å²	14	43.1 Å²	43.1	14%	0.144	22%	0.224	C	C	.	.			trans	115.7	160.5	-176	0	0	0	0	0	113.8	S198 T222	S198-G200 PolarHBondContact O-N 3.15Å; S198-G200 PolarHBondContact OG-N 3.33Å; S198-G200 PolarHBondContact OG-O 3.06Å; G200-T222 WeakPolarHBondContact CA-O 3.26Å
201	I	76.3	Confident	75.7	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.051	22%	0.218	C	C	.	.			trans	-92.9	127.9	175.3	-53.2	179.9	0	0	0	110.2	D171 I173 L193 V196 F203 T222 L224	D171-I201 WeakPolarHBondContact O-CA 3.47Å; I173-I201 HydrophobicContact CD1-CG2 3.96Å; I173-I201 HydrophobicContact CG1-CG2 3.82Å; L193-I201 HydrophobicContact CB-CD1 4.45Å; V196-I201 HydrophobicContact CG1-CD1 3.68Å; V196-I201 HydrophobicContact CG1-CG1 3.7Å; V196-I201 HydrophobicContact CG2-CG1 4.24Å; I201-F203 HydrophobicContact CB-CD2 4.1Å; I201-F203 HydrophobicContact CB-CE2 3.74Å; I201-F203 HydrophobicContact CD1-CE2 4.06Å; I201-F203 HydrophobicContact CD1-CZ 4.27Å; I201-F203 HydrophobicContact CG2-CD2 3.68Å; I201-F203 HydrophobicContact CG2-CE2 3.45Å; I201-F203 VanDerWaalsContact CG2-CE2 3.45Å; I201-F203 HydrophobicContact CG2-CG 4.39Å; I201-F203 HydrophobicContact CG2-CZ 3.99Å; I201-F203 PolarHBondContact O-N 3.25Å; I201-T222 HydrophobicContact CD1-CG2 3.59Å; I201-T222 HydrophobicContact CG1-CG2 4.29Å; I201-T222 PolarHBondContact N-O 3.04Å; I201-T222 VanDerWaalsContact N-O 3.09Å; I201-L224 WeakPolarHBondContact O-CD2 3.4Å
202	I	70.1	Confident	75.2	Confident	108 Å²	108	42.9 Å²	42.9	55%	0.554	23%	0.228	S	C	*	.	B	Isolated β-bridge	trans	-84.1	110.4	163.5	-57.9	178.1	0	0	0	108.5	D171 L172 E204	D171-I202 PolarHBondContact O-N 2.95Å; L172-I202 HydrophobicContact CD1-CB 4.31Å; L172-I202 HydrophobicContact CD1-CG2 4.5Å; I202-E204 HydrophobicContact CG2-CG 4.19Å
203	F	67.6	Low	74.8	Confident	28 Å²	28	44.2 Å²	44.2	12%	0.123	23%	0.234	C	C	.	.			trans	-94.1	118.4	164.1	-73.1	-93.2	0	0	0	108.8	I173 I201 L219 L224	I173-F203 HydrophobicContact CD1-CD1 4.15Å; I173-F203 HydrophobicContact CD1-CE1 3.57Å; I173-F203 HydrophobicContact CD1-CZ 3.85Å; I201-F203 HydrophobicContact CB-CD2 4.1Å; I201-F203 HydrophobicContact CB-CE2 3.74Å; I201-F203 HydrophobicContact CD1-CE2 4.06Å; I201-F203 HydrophobicContact CD1-CZ 4.27Å; I201-F203 HydrophobicContact CG2-CD2 3.68Å; I201-F203 HydrophobicContact CG2-CE2 3.45Å; I201-F203 VanDerWaalsContact CG2-CE2 3.45Å; I201-F203 HydrophobicContact CG2-CG 4.39Å; I201-F203 HydrophobicContact CG2-CZ 3.99Å; I201-F203 PolarHBondContact O-N 3.25Å; F203-L219 HydrophobicContact CE1-CD1 4.43Å; F203-L219 HydrophobicContact CE2-CD1 4.29Å; F203-L219 HydrophobicContact CZ-CD1 3.87Å; F203-L219 HydrophobicContact CZ-CD2 3.74Å; F203-L219 HydrophobicContact CZ-CG 4.43Å; F203-L224 HydrophobicContact CD2-CD1 4.31Å; F203-L224 HydrophobicContact CD2-CD2 3.65Å; F203-L224 HydrophobicContact CE2-CD1 4.03Å; F203-L224 HydrophobicContact CE2-CD2 3.93Å
204	E	56.9	Low	74.8	Confident	80 Å²	80	44.2 Å²	44.2	37%	0.374	23%	0.233	S	C	.	.			trans	-85.5	-176.1	170.3	-51.3	-169	-155.3	0	0	110.3	I202 N206 H207	I202-E204 HydrophobicContact CG2-CG 4.19Å; E204-N206 PolarHBondContact O-N 2.82Å; E204-H207 PolarHBondContact N-CE1 3.38Å; E204-H207 VanDerWaalsContact N-CE1 3.31Å; E204-H207 PolarHBondContact N-ND1 3.19Å
205	S	61.4	Low	74.9	Confident	49 Å²	49	44.6 Å²	44.6	34%	0.343	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	137.4	-176.7	-72.2	0	0	0	0	111.7	H207 H228	S205-H207 VanDerWaalsContact C-N 3.28Å; S205-H207 PolarHBondContact O-N 3.34Å; S205-H228 PolarHBondContact OG-CE1 3.14Å; S205-H228 PolarHBondContact OG-ND1 2.85Å
206	N	61.2	Low	75.5	Confident	66 Å²	66	44.4 Å²	44.4	35%	0.353	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	2.8	166.4	-58.2	-8.7	0	0	0	117.5	E204 L208 I209 S230	E204-N206 PolarHBondContact O-N 2.82Å; N206-L208 PolarHBondContact O-N 3.17Å; N206-I209 HydrophobicContact CB-CD1 3.62Å; N206-I209 HydrophobicContact CB-CG1 4.03Å; N206-I209 WeakPolarHBondContact O-CB 3.4Å; N206-I209 WeakPolarHBondContact O-CG1 3.4Å; N206-I209 PolarHBondContact O-N 2.64Å; N206-S230 PolarHBondContact N-OG 3.14Å; N206-S230 WeakPolarHBondContact OD1-CB 3.3Å; N206-S230 PolarHBondContact OD1-OG 2.74Å
207	H	66.7	Low	76.2	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.065	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-33	-179.8	-72.5	175.7	0	0	0	114.7	I173 D175 E204 S205	I173-H207 PolarHBondContact O-CE1 3.31Å; D175-H207 IonicContact OD1-CD2 3.59Å; D175-H207 PolarHBondContact OD1-CD2 3.39Å; D175-H207 IonicContact OD1-CE1 2.61Å; D175-H207 IonicContact OD1-NE2 2.64Å; D175-H207 PolarHBondContact OD1-NE2 3.3Å; E204-H207 PolarHBondContact N-CE1 3.38Å; E204-H207 VanDerWaalsContact N-CE1 3.31Å; E204-H207 PolarHBondContact N-ND1 3.19Å; S205-H207 VanDerWaalsContact C-N 3.28Å; S205-H207 PolarHBondContact O-N 3.34Å
208	L	74.7	Confident	77	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.6	-178.4	-64.1	177.5	0	0	0	115	N206 S210 L211 L217 A234 M238	N206-L208 PolarHBondContact O-N 3.17Å; L208-S210 PolarHBondContact O-N 2.61Å; L208-L211 HydrophobicContact CD2-CD1 4.24Å; L208-L211 PolarHBondContact O-N 2.86Å; L208-L217 HydrophobicContact CD1-CD2 4.05Å; L208-L217 HydrophobicContact CD2-CD2 4.25Å; L208-A234 VanDerWaalsContact C-CB 3.5Å; L208-A234 HydrophobicContact CB-CB 3.69Å; L208-M238 HydrophobicContact CB-CE 3.93Å; L208-M238 VanDerWaalsContact O-CE 3.3Å; L208-M238 WeakPolarHBondContact O-CE 3.35Å
209	I	73.3	Confident	77.6	Confident	64 Å²	64	37.5 Å²	37.5	33%	0.328	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.7	-175.1	-70	-172.4	0	0	0	111.7	N206 L211 L233 A234	N206-I209 HydrophobicContact CB-CD1 3.62Å; N206-I209 HydrophobicContact CB-CG1 4.03Å; N206-I209 WeakPolarHBondContact O-CB 3.4Å; N206-I209 WeakPolarHBondContact O-CG1 3.4Å; N206-I209 PolarHBondContact O-N 2.64Å; I209-L211 PolarHBondContact O-N 3.29Å; I209-L211 VanDerWaalsContact O-N 3.11Å; I209-L233 HydrophobicContact CD1-CB 4.36Å; I209-L233 HydrophobicContact CD1-CD2 3.84Å; I209-L233 HydrophobicContact CD1-CG 4.1Å; I209-A234 HydrophobicContact CB-CB 4.4Å; I209-A234 HydrophobicContact CG1-CB 3.76Å
210	S	71.8	Confident	78.5	Confident	17 Å²	17	29.2 Å²	29.2	12%	0.119	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	5.2	-174.4	-49.9	0	0	0	0	115.2	F178 Y179 L208 P212	F178-S210 VanDerWaalsContact C-CB 3.46Å; F178-S210 WeakPolarHBondContact O-CB 3.18Å; Y179-S210 WeakPolarHBondContact CA-OG 3.43Å; L208-S210 PolarHBondContact O-N 2.61Å; S210-P212 WeakPolarHBondContact O-CD 3.5Å
211	L	82.6	Confident	79.4	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.037	16%	0.159	C	C	.	.			trans	-115.9	50.6	-174.3	-60.7	177.9	0	0	0	113.7	F178 L181 L188 L191 L208 I209 Y213 L214 M238	F178-L211 HydrophobicContact CB-CD1 4.26Å; F178-L211 HydrophobicContact CB-CD2 3.9Å; F178-L211 HydrophobicContact CB-CG 3.97Å; F178-L211 HydrophobicContact CD1-CD1 3.91Å; F178-L211 HydrophobicContact CD1-CD2 3.87Å; F178-L211 HydrophobicContact CD1-CG 4.29Å; F178-L211 HydrophobicContact CD2-CD1 4.05Å; F178-L211 HydrophobicContact CE1-CD1 4.23Å; F178-L211 HydrophobicContact CE2-CD1 4.36Å; F178-L211 HydrophobicContact CG-CD1 3.81Å; F178-L211 HydrophobicContact CG-CD2 4.05Å; F178-L211 HydrophobicContact CG-CG 4.07Å; F178-L211 HydrophobicContact CZ-CD1 4.46Å; L181-L211 HydrophobicContact CD1-CD2 3.97Å; L188-L211 HydrophobicContact CD2-CD2 4.25Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å; L208-L211 HydrophobicContact CD2-CD1 4.24Å; L208-L211 PolarHBondContact O-N 2.86Å; I209-L211 PolarHBondContact O-N 3.29Å; I209-L211 VanDerWaalsContact O-N 3.11Å; L211-Y213 PolarHBondContact O-N 2.81Å; L211-Y213 VanDerWaalsContact O-N 3.1Å; L211-L214 HydrophobicContact CB-CD1 3.62Å; L211-L214 HydrophobicContact CB-CG 3.92Å; L211-L214 HydrophobicContact CD1-CD1 3.8Å; L211-L214 HydrophobicContact CG-CD1 4.33Å; L211-L214 PolarHBondContact O-N 3.01Å; L211-M238 HydrophobicContact CB-CE 4.21Å
212	P	82.6	Confident	80	Confident	32 Å²	32	31.3 Å²	31.3	21%	0.208	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.3	-169.3	30.2	-38.2	0	0	0	115.1	S210	S210-P212 WeakPolarHBondContact O-CD 3.5Å
213	Y	86.2	Confident	81	Confident	88 Å²	88	31.2 Å²	31.2	35%	0.345	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.4	-179.3	-62.6	-63.6	0	0	0	114.2	M186 K187 L188 Q189 L211	M186-Y213 WeakPolarHBondContact O-CD2 3.44Å; K187-Y213 HydrophobicContact CB-CD2 4.48Å; K187-Y213 HydrophobicContact CG-CD2 4.05Å; K187-Y213 HydrophobicContact CG-CE2 4.21Å; K187-Y213 HydrophobicContact CG-CG 4.33Å; L188-Y213 CarbonylContact O-C 3.16Å; Q189-Y213 WeakPolarHBondContact CG-O 3.45Å; L211-Y213 PolarHBondContact O-N 2.81Å; L211-Y213 VanDerWaalsContact O-N 3.1Å
214	L	89.8	Confident	82	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.			trans	-58.9	142.8	179.6	-84.7	176.1	0	0	0	112.9	L188 L191 L211 L217 M238 H240 L241	L188-L214 PolarHBondContact O-N 2.68Å; L191-L214 HydrophobicContact CB-CD2 3.87Å; L211-L214 HydrophobicContact CB-CD1 3.62Å; L211-L214 HydrophobicContact CB-CG 3.92Å; L211-L214 HydrophobicContact CD1-CD1 3.8Å; L211-L214 HydrophobicContact CG-CD1 4.33Å; L211-L214 PolarHBondContact O-N 3.01Å; L214-L217 HydrophobicContact CD1-CB 4.42Å; L214-L217 HydrophobicContact CD1-CD1 4.45Å; L214-M238 HydrophobicContact CB-CG 4.36Å; L214-M238 HydrophobicContact CB-SD 3.98Å; L214-M238 HydrophobicContact CD1-CE 3.82Å; L214-M238 HydrophobicContact CD1-SD 3.94Å; L214-H240 CarbonylContact O-C 3.58Å; L214-H240 VanDerWaalsContact O-C 3.26Å; L214-L241 HydrophobicContact CB-CD1 4.48Å; L214-L241 WeakPolarHBondContact O-CA 3.22Å; L214-L241 PolarHBondContact O-N 2.74Å; L214-L241 VanDerWaalsContact O-N 3.09Å
215	Y	92.1	Very high	83.5	Confident	19 Å²	19	30 Å²	30	8%	0.075	15%	0.154	C	C	.	.	S	Bend	trans	-119.9	-44	178	-177.9	-83.8	0	0	0	110.8	Q189 Y190 H240 K242 E243 K847 D848	Q189-Y215 WeakPolarHBondContact O-CA 3.47Å; Q189-Y215 WeakPolarHBondContact O-CB 3.49Å; Q189-Y215 PolarHBondContact O-N 3.21Å; Y190-Y215 AromaticContact CE1-CD1 3.85Å; Y190-Y215 HydrophobicContact CE1-CD1 3.85Å; Y190-Y215 HydrophobicContact CE1-CE1 4.32Å; Y215-H240 WeakPolarHBondContact CD2-O 3.45Å; Y215-K242 HydrophobicContact CD2-CG 4.34Å; Y215-K242 HydrophobicContact CE1-CB 4.33Å; Y215-K242 HydrophobicContact CE2-CB 4.32Å; Y215-K242 HydrophobicContact CE2-CD 3.67Å; Y215-K242 HydrophobicContact CE2-CG 3.87Å; Y215-K242 VanDerWaalsContact CE2-NZ 3.31Å; Y215-K242 PolarHBondContact O-N 2.72Å; Y215-K242 PolarHBondContact OH-NZ 2.98Å; Y215-E243 PolarHBondContact O-N 3.2Å; Y215-K847 PolarHBondContact OH-O 2.93Å; Y215-D848 WeakPolarHBondContact CE1-OD2 3.47Å; Y215-D848 VanDerWaalsContact OH-CG 3.28Å; Y215-D848 PolarHBondContact OH-OD1 3.4Å; Y215-D848 PolarHBondContact OH-OD2 3.28Å
216	L	93.5	Very high	84.7	Confident	12 Å²	12	29.5 Å²	29.5	6%	0.063	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125	175.4	-176.8	158.7	0	0	0	110	Q189 Y190 L191 W192 D218 E243 Y245	Q189-L216 PolarHBondContact O-N 3.27Å; Y190-L216 HydrophobicContact CD1-CB 3.74Å; Y190-L216 HydrophobicContact CD1-CD1 4.24Å; Y190-L216 HydrophobicContact CE1-CB 4.37Å; L191-L216 PolarHBondContact N-O 3.05Å; W192-L216 HydrophobicContact CD2-CD2 4.25Å; W192-L216 HydrophobicContact CG-CD2 4.36Å; W192-L216 HydrophobicContact CZ2-CD1 4.22Å; W192-L216 HydrophobicContact CZ2-CD2 4.23Å; L216-D218 HydrophobicContact CD2-CB 4.08Å; L216-E243 CarbonylContact C-O 3.58Å; L216-E243 VanDerWaalsContact CA-O 3.3Å; L216-E243 WeakPolarHBondContact CA-O 3.5Å; L216-E243 HydrophobicContact CB-CB 4.18Å; L216-E243 HydrophobicContact CD1-CB 4.26Å; L216-E243 HydrophobicContact CG-CB 3.98Å; L216-Y245 HydrophobicContact CD1-CE2 4.2Å; L216-Y245 HydrophobicContact CG-CE2 4.36Å
217	L	92.6	Very high	85.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119	169.1	178.4	59	0	0	0	109.7	L191 L208 L214 L219 L241 E243 L244 Y245	L191-L217 HydrophobicContact CB-CD1 4.3Å; L191-L217 HydrophobicContact CD2-CD1 4.03Å; L191-L217 HydrophobicContact CG-CD1 4.19Å; L208-L217 HydrophobicContact CD1-CD2 4.05Å; L208-L217 HydrophobicContact CD2-CD2 4.25Å; L214-L217 HydrophobicContact CD1-CB 4.42Å; L214-L217 HydrophobicContact CD1-CD1 4.45Å; L217-L219 HydrophobicContact CD1-CD2 3.98Å; L217-L219 HydrophobicContact CD1-CG 4.25Å; L217-L219 HydrophobicContact CD2-CD1 4.4Å; L217-L219 HydrophobicContact CG-CD2 4.43Å; L217-L219 HydrophobicContact CG-CG 4.14Å; L217-L241 HydrophobicContact CB-CD1 4.32Å; L217-E243 PolarHBondContact N-O 3.37Å; L217-L244 HydrophobicContact CB-CD1 4.01Å; L217-L244 HydrophobicContact CD2-CD1 3.93Å; L217-L244 HydrophobicContact CG-CD1 4.1Å; L217-L244 WeakPolarHBondContact O-CA 2.98Å; L217-Y245 PolarHBondContact O-N 3.29Å
218	D	93.1	Very high	86.6	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.2	179.5	-164.2	-19.9	0	0	0	111.8	L191 W192 L193 N194 L216 S220 Y245 K276	L191-D218 PolarHBondContact O-N 2.77Å; W192-D218 HydrophobicContact CB-CB 4.46Å; W192-D218 HydrophobicContact CG-CB 4.27Å; L193-D218 PolarHBondContact N-O 2.97Å; N194-D218 WeakPolarHBondContact CB-OD1 3.04Å; N194-D218 PolarHBondContact N-O 3.39Å; L216-D218 HydrophobicContact CD2-CB 4.08Å; D218-S220 WeakPolarHBondContact OD1-CB 3.44Å; D218-S220 PolarHBondContact OD1-N 3.33Å; D218-S220 PolarHBondContact OD1-OG 3Å; D218-Y245 HydrophobicContact CB-CD2 4.16Å; D218-Y245 WeakPolarHBondContact OD1-CB 3.41Å; D218-K276 IonicContact OD1-NZ 2.69Å; D218-K276 IonicContact OD2-NZ 2.68Å; D218-K276 PolarHBondContact OD2-NZ 2.91Å
219	L	91.9	Very high	86.7	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.159	C	C	.	.			trans	-115.2	23.2	175.1	-52.9	-177.1	0	0	0	111	L193 F203 L217 T222 L224 Y245 L246 N249	L193-L219 HydrophobicContact CB-CD2 3.96Å; L193-L219 HydrophobicContact CD1-CD2 4.01Å; F203-L219 HydrophobicContact CE1-CD1 4.43Å; F203-L219 HydrophobicContact CE2-CD1 4.29Å; F203-L219 HydrophobicContact CZ-CD1 3.87Å; F203-L219 HydrophobicContact CZ-CD2 3.74Å; F203-L219 HydrophobicContact CZ-CG 4.43Å; L217-L219 HydrophobicContact CD1-CD2 3.98Å; L217-L219 HydrophobicContact CD1-CG 4.25Å; L217-L219 HydrophobicContact CD2-CD1 4.4Å; L217-L219 HydrophobicContact CG-CD2 4.43Å; L217-L219 HydrophobicContact CG-CG 4.14Å; L219-T222 HydrophobicContact CB-CG2 4.42Å; L219-T222 WeakPolarHBondContact O-CG2 3.48Å; L219-T222 PolarHBondContact O-OG1 2.87Å; L219-L224 HydrophobicContact CB-CD1 4.4Å; L219-L224 HydrophobicContact CD1-CD1 4.39Å; L219-Y245 CarbonylContact C-O 3.31Å; L219-Y245 PolarHBondContact N-O 3.22Å; L219-L246 HydrophobicContact CB-CD2 4.22Å; L219-L246 HydrophobicContact CD1-CD2 4.29Å; L219-N249 PolarHBondContact O-ND2 2.8Å
220	S	92.3	Very high	86.7	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	141.1	178.2	54.8	0	0	0	0	111.8	N194 S195 D218 T222 Y245 G247 K276	N194-S220 CarbonylContact C-O 3.59Å; N194-S220 WeakPolarHBondContact CA-O 3.35Å; N194-S220 WeakPolarHBondContact CB-O 3.35Å; N194-S220 WeakPolarHBondContact CB-OG 3.14Å; S195-S220 PolarHBondContact N-O 3.33Å; D218-S220 WeakPolarHBondContact OD1-CB 3.44Å; D218-S220 PolarHBondContact OD1-N 3.33Å; D218-S220 PolarHBondContact OD1-OG 3Å; S220-T222 PolarHBondContact O-N 2.76Å; S220-Y245 PolarHBondContact N-O 2.94Å; S220-G247 WeakPolarHBondContact CA-O 3.43Å; S220-G247 WeakPolarHBondContact CB-O 3.48Å; S220-K276 PolarHBondContact OG-NZ 2.99Å
221	Y	90.8	Very high	87.1	Confident	68 Å²	68	29.4 Å²	29.4	27%	0.267	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	54.4	-177.6	-50.4	-80.5	0	0	0	114	S195 V196 G247 G248 K278 I288	S195-Y221 WeakPolarHBondContact CA-O 3.33Å; S195-Y221 PolarHBondContact N-O 3.17Å; S195-Y221 VanDerWaalsContact N-O 3.12Å; V196-Y221 PolarHBondContact N-O 2.95Å; Y221-G247 PolarHBondContact N-O 3.08Å; Y221-G248 WeakPolarHBondContact CA-O 3.25Å; Y221-G248 VanDerWaalsContact CD1-O 3.25Å; Y221-G248 WeakPolarHBondContact CD1-O 3.43Å; Y221-K278 HydrophobicContact CE2-CD 4.34Å; Y221-I288 HydrophobicContact CE2-CD1 3.61Å; Y221-I288 HydrophobicContact CE2-CG2 4.42Å; Y221-I288 WeakPolarHBondContact OH-CD1 3.19Å
222	T	89.6	Confident	87.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-111.7	13.6	176	51.6	0	0	0	0	113.1	L193 V196 G200 I201 L219 S220 L224 N249	L193-T222 VanDerWaalsContact O-CG2 3.3Å; L193-T222 WeakPolarHBondContact O-CG2 3.18Å; V196-T222 HydrophobicContact CG1-CG2 4.34Å; G200-T222 WeakPolarHBondContact CA-O 3.26Å; I201-T222 HydrophobicContact CD1-CG2 3.59Å; I201-T222 HydrophobicContact CG1-CG2 4.29Å; I201-T222 PolarHBondContact N-O 3.04Å; I201-T222 VanDerWaalsContact N-O 3.09Å; L219-T222 HydrophobicContact CB-CG2 4.42Å; L219-T222 WeakPolarHBondContact O-CG2 3.48Å; L219-T222 PolarHBondContact O-OG1 2.87Å; S220-T222 PolarHBondContact O-N 2.76Å; T222-L224 PolarHBondContact O-N 2.81Å; T222-L224 VanDerWaalsContact OG1-CD1 3.26Å; T222-L224 WeakPolarHBondContact OG1-CD1 3.17Å; T222-L224 VanDerWaalsContact OG1-CG 3.28Å; T222-L224 WeakPolarHBondContact OG1-CG 3.49Å; T222-N249 WeakPolarHBondContact CA-OD1 3.41Å; T222-N249 PolarHBondContact N-OD1 3.24Å; T222-N249 PolarHBondContact OG1-OD1 3.06Å
223	E	90	Very high	87.1	Confident	106 Å²	106	35.9 Å²	35.9	50%	0.495	18%	0.178	S	C	.	.			trans	52.2	29.1	-174.8	-60.1	-63.1	162.5	0	0	114.7	T225 N249 P250	E223-T225 PolarHBondContact O-N 3.35Å; E223-N249 PolarHBondContact N-OD1 2.89Å; E223-N249 VanDerWaalsContact N-OD1 3.11Å; E223-P250 VanDerWaalsContact C-CD 3.5Å; E223-P250 WeakPolarHBondContact OE2-CD 3.37Å; E223-P250 WeakPolarHBondContact OE2-CG 3.14Å
224	L	88.8	Confident	86.9	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	16%	0.163	C	C	.	.			trans	-69.8	124	179.1	-63.3	174.5	0	0	0	112.5	I201 F203 L219 T222 N249 P250 W251	I201-L224 WeakPolarHBondContact O-CD2 3.4Å; F203-L224 HydrophobicContact CD2-CD1 4.31Å; F203-L224 HydrophobicContact CD2-CD2 3.65Å; F203-L224 HydrophobicContact CE2-CD1 4.03Å; F203-L224 HydrophobicContact CE2-CD2 3.93Å; L219-L224 HydrophobicContact CB-CD1 4.4Å; L219-L224 HydrophobicContact CD1-CD1 4.39Å; T222-L224 PolarHBondContact O-N 2.81Å; T222-L224 VanDerWaalsContact OG1-CD1 3.26Å; T222-L224 WeakPolarHBondContact OG1-CD1 3.17Å; T222-L224 VanDerWaalsContact OG1-CG 3.28Å; T222-L224 WeakPolarHBondContact OG1-CG 3.49Å; L224-N249 HydrophobicContact CB-CB 4.24Å; L224-N249 PolarHBondContact N-OD1 3.16Å; L224-P250 CarbonylContact O-C 3.54Å; L224-P250 VanDerWaalsContact O-CD 3.32Å; L224-P250 WeakPolarHBondContact O-CD 3.28Å; L224-W251 HydrophobicContact CB-CH2 3.82Å; L224-W251 HydrophobicContact CB-CZ2 4.33Å; L224-W251 HydrophobicContact CB-CZ3 4.05Å; L224-W251 HydrophobicContact CD1-CH2 4.06Å
225	T	89.1	Confident	86.7	Confident	73 Å²	73	32 Å²	32	45%	0.448	16%	0.164	S	C	.	.	S	Bend	trans	-91.1	-30.1	174.2	51.6	0	0	0	0	112.5	E223 P250 I252	E223-T225 PolarHBondContact O-N 3.35Å; T225-P250 HydrophobicContact CG2-CG 4.1Å; T225-I252 HydrophobicContact CG2-CD1 4.28Å; T225-I252 HydrophobicContact CG2-CG1 4.48Å; T225-I252 PolarHBondContact O-N 3.47Å
226	S	87.2	Confident	86.4	Confident	39 Å²	39	33.5 Å²	33.5	27%	0.273	17%	0.173	S	C	.	.			trans	-155.6	167.9	174.5	-164.8	0	0	0	0	110.1
227	L	84.7	Confident	85.9	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.031	19%	0.188	C	C	.	.			trans	-128.5	123.8	176.4	-169.4	69.6	0	0	0	108.1	W251 W259 L260	L227-W251 HydrophobicContact CB-CH2 4.31Å; L227-W251 HydrophobicContact CB-CZ3 4.07Å; L227-W259 HydrophobicContact CB-CZ2 4.02Å; L227-W259 HydrophobicContact CD2-CH2 3.84Å; L227-W259 HydrophobicContact CD2-CZ2 3.79Å; L227-W259 HydrophobicContact CG-CH2 4.33Å; L227-W259 HydrophobicContact CG-CZ2 3.85Å; L227-W259 WeakPolarHBondContact O-CZ2 3.33Å; L227-W259 PolarHBondContact O-NE1 3.22Å; L227-L260 HydrophobicContact CD2-CD1 4.45Å
228	H	81.3	Confident	85.6	Confident	77 Å²	77	34.8 Å²	34.8	36%	0.356	19%	0.188	S	C	.	.			trans	-66.9	138.2	-172.4	-169.9	-112.7	0	0	0	112.2	S205 S230 N231 W259	S205-H228 PolarHBondContact OG-CE1 3.14Å; S205-H228 PolarHBondContact OG-ND1 2.85Å; H228-S230 WeakPolarHBondContact ND1-CB 3.2Å; H228-S230 PolarHBondContact ND1-OG 3.23Å; H228-S230 VanDerWaalsContact ND1-OG 3.11Å; H228-S230 PolarHBondContact O-N 2.82Å; H228-S230 VanDerWaalsContact O-N 3.15Å; H228-N231 VanDerWaalsContact O-CB 3.3Å; H228-N231 WeakPolarHBondContact O-CB 3.46Å; H228-N231 PolarHBondContact O-N 3.11Å; H228-N231 PolarHBondContact O-ND2 3.38Å; H228-W259 WeakPolarHBondContact O-CZ2 3.37Å
229	E	77.8	Confident	85.2	Confident	49 Å²	49	42.9 Å²	42.9	23%	0.229	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	-172.8	66.3	-161.5	97.7	0	0	115.1	N231 E232 W259 G383 S384	E229-N231 PolarHBondContact O-N 3.41Å; E229-N231 VanDerWaalsContact O-N 3.11Å; E229-E232 WeakPolarHBondContact O-CB 3.44Å; E229-E232 PolarHBondContact O-N 2.95Å; E229-W259 HydrophobicContact CB-CB 4.3Å; E229-W259 VanDerWaalsContact CB-CD1 3.43Å; E229-W259 HydrophobicContact CB-CD2 4.25Å; E229-W259 HydrophobicContact CB-CG 3.73Å; E229-G383 WeakPolarHBondContact OE2-CA 3.42Å; E229-S384 VanDerWaalsContact OE1-CB 3.27Å; E229-S384 WeakPolarHBondContact OE1-CB 3.39Å; E229-S384 PolarHBondContact OE1-N 2.87Å; E229-S384 PolarHBondContact OE1-OG 2.95Å; E229-S384 PolarHBondContact OE2-N 2.99Å
230	S	73.9	Confident	84.9	Confident	29 Å²	29	48 Å²	48	20%	0.203	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.7	173.7	82.9	0	0	0	0	112.9	N206 H228 E232 L233	N206-S230 PolarHBondContact N-OG 3.14Å; N206-S230 WeakPolarHBondContact OD1-CB 3.3Å; N206-S230 PolarHBondContact OD1-OG 2.74Å; H228-S230 WeakPolarHBondContact ND1-CB 3.2Å; H228-S230 PolarHBondContact ND1-OG 3.23Å; H228-S230 VanDerWaalsContact ND1-OG 3.11Å; H228-S230 PolarHBondContact O-N 2.82Å; H228-S230 VanDerWaalsContact O-N 3.15Å; S230-E232 VanDerWaalsContact C-N 3.25Å; S230-E232 PolarHBondContact O-N 2.96Å; S230-L233 PolarHBondContact O-N 3.21Å
231	N	80.3	Confident	84.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.9	-11.2	169.3	-65.1	-71.6	0	0	0	113.8	H228 E229 L233 A234 L235 W259	H228-N231 VanDerWaalsContact O-CB 3.3Å; H228-N231 WeakPolarHBondContact O-CB 3.46Å; H228-N231 PolarHBondContact O-N 3.11Å; H228-N231 PolarHBondContact O-ND2 3.38Å; E229-N231 PolarHBondContact O-N 3.41Å; E229-N231 VanDerWaalsContact O-N 3.11Å; N231-L233 PolarHBondContact O-N 3.03Å; N231-A234 WeakPolarHBondContact O-CB 3.26Å; N231-A234 PolarHBondContact O-N 3.31Å; N231-L235 WeakPolarHBondContact O-CG 3.17Å; N231-L235 PolarHBondContact O-N 3.17Å; N231-W259 HydrophobicContact CB-CH2 4.05Å; N231-W259 HydrophobicContact CB-CZ2 4.38Å
232	E	83.9	Confident	84.8	Confident	56 Å²	56	49.2 Å²	49.2	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-37.3	170.3	-157	-154.7	141.6	0	0	110.5	E229 S230 A234 L235 N236 W259 W263 K266	E229-E232 WeakPolarHBondContact O-CB 3.44Å; E229-E232 PolarHBondContact O-N 2.95Å; S230-E232 VanDerWaalsContact C-N 3.25Å; S230-E232 PolarHBondContact O-N 2.96Å; E232-A234 PolarHBondContact O-N 3.14Å; E232-L235 PolarHBondContact O-N 3.29Å; E232-N236 WeakPolarHBondContact CG-ND2 3.43Å; E232-N236 WeakPolarHBondContact O-CB 3.36Å; E232-N236 VanDerWaalsContact O-CG 3.25Å; E232-N236 PolarHBondContact O-N 2.66Å; E232-N236 PolarHBondContact O-ND2 2.92Å; E232-N236 VanDerWaalsContact O-ND2 3.17Å; E232-N236 PolarHBondContact OE1-ND2 2.91Å; E232-W259 HydrophobicContact CB-CD2 4.49Å; E232-W259 HydrophobicContact CB-CE3 3.62Å; E232-W259 HydrophobicContact CB-CZ3 3.83Å; E232-W259 HydrophobicContact CG-CE3 3.83Å; E232-W259 HydrophobicContact CG-CZ3 4.11Å; E232-W263 HydrophobicContact CG-CB 4.19Å; E232-W263 HydrophobicContact CG-CG 4.2Å; E232-K266 IonicContact OE1-NZ 3.2Å
233	L	80.7	Confident	84.9	Confident	119 Å²	119	49.7 Å²	49.7	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-63	-42.6	177	-176.6	57.3	0	0	0	111.4	I209 S230 N231 G237	I209-L233 HydrophobicContact CD1-CB 4.36Å; I209-L233 HydrophobicContact CD1-CD2 3.84Å; I209-L233 HydrophobicContact CD1-CG 4.1Å; S230-L233 PolarHBondContact O-N 3.21Å; N231-L233 PolarHBondContact O-N 3.03Å; L233-G237 PolarHBondContact O-N 3.12Å
234	A	81.2	Confident	85	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-55.8	174.5	0	0	0	0	0	111.8	L208 I209 N231 E232 N236 G237 M238	L208-A234 VanDerWaalsContact C-CB 3.5Å; L208-A234 HydrophobicContact CB-CB 3.69Å; I209-A234 HydrophobicContact CB-CB 4.4Å; I209-A234 HydrophobicContact CG1-CB 3.76Å; N231-A234 WeakPolarHBondContact O-CB 3.26Å; N231-A234 PolarHBondContact O-N 3.31Å; E232-A234 PolarHBondContact O-N 3.14Å; A234-N236 PolarHBondContact O-N 3.25Å; A234-G237 WeakPolarHBondContact O-CA 3.37Å; A234-G237 PolarHBondContact O-N 3.38Å; A234-M238 HydrophobicContact CB-CE 4.39Å; A234-M238 WeakPolarHBondContact O-CG 3.4Å; A234-M238 PolarHBondContact O-N 3.34Å
235	L	86.2	Confident	85.2	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-23.2	-178	-66.6	-179.8	0	0	0	113.2	N231 E232 M238 L241 L244 W259 W263 K267	N231-L235 WeakPolarHBondContact O-CG 3.17Å; N231-L235 PolarHBondContact O-N 3.17Å; E232-L235 PolarHBondContact O-N 3.29Å; L235-M238 HydrophobicContact CD2-CE 4.38Å; L235-M238 HydrophobicContact CD2-SD 3.93Å; L235-L241 HydrophobicContact CD2-CD2 3.99Å; L235-L244 HydrophobicContact CD1-CD2 4.39Å; L235-L244 HydrophobicContact CD2-CD2 4.4Å; L235-W259 HydrophobicContact CD1-CH2 3.91Å; L235-W259 HydrophobicContact CD1-CZ3 4.04Å; L235-W263 HydrophobicContact CB-CD2 4.36Å; L235-W263 HydrophobicContact CB-CH2 4.48Å; L235-W263 HydrophobicContact CB-CZ2 3.61Å; L235-W263 HydrophobicContact CD1-CD2 4.32Å; L235-W263 HydrophobicContact CD1-CE3 4.44Å; L235-W263 HydrophobicContact CD1-CH2 4.42Å; L235-W263 HydrophobicContact CD1-CZ2 4.26Å; L235-W263 HydrophobicContact CG-CZ2 4.37Å; L235-K267 PolarHBondContact O-NZ 3.25Å
236	N	85.1	Confident	85.4	Confident	49 Å²	49	41.9 Å²	41.9	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-73.2	-39.2	168.5	-80.3	-33.8	0	0	0	112.2	E232 A234 W263 K267	E232-N236 WeakPolarHBondContact CG-ND2 3.43Å; E232-N236 WeakPolarHBondContact O-CB 3.36Å; E232-N236 VanDerWaalsContact O-CG 3.25Å; E232-N236 PolarHBondContact O-N 2.66Å; E232-N236 PolarHBondContact O-ND2 2.92Å; E232-N236 VanDerWaalsContact O-ND2 3.17Å; E232-N236 PolarHBondContact OE1-ND2 2.91Å; A234-N236 PolarHBondContact O-N 3.25Å; N236-W263 PolarHBondContact OD1-NE1 2.77Å; N236-K267 PolarHBondContact O-NZ 2.98Å; N236-K267 VanDerWaalsContact OD1-CE 3.22Å; N236-K267 WeakPolarHBondContact OD1-CE 3.37Å
237	G	82.9	Confident	85.6	Confident	36 Å²	36	40.1 Å²	40.1	37%	0.371	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-28.2	176.9	0	0	0	0	0	114.9	L233 A234 K239	L233-G237 PolarHBondContact O-N 3.12Å; A234-G237 WeakPolarHBondContact O-CA 3.37Å; A234-G237 PolarHBondContact O-N 3.38Å; G237-K239 VanDerWaalsContact C-N 3.32Å; G237-K239 PolarHBondContact O-N 3.4Å
238	M	87.2	Confident	85.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.02	22%	0.215	C	C	.	.			trans	-70.7	80.5	175.4	-62.9	175.9	-167	0	0	111.9	L208 L211 L214 A234 L235 H240 L241	L208-M238 HydrophobicContact CB-CE 3.93Å; L208-M238 VanDerWaalsContact O-CE 3.3Å; L208-M238 WeakPolarHBondContact O-CE 3.35Å; L211-M238 HydrophobicContact CB-CE 4.21Å; L214-M238 HydrophobicContact CB-CG 4.36Å; L214-M238 HydrophobicContact CB-SD 3.98Å; L214-M238 HydrophobicContact CD1-CE 3.82Å; L214-M238 HydrophobicContact CD1-SD 3.94Å; A234-M238 HydrophobicContact CB-CE 4.39Å; A234-M238 WeakPolarHBondContact O-CG 3.4Å; A234-M238 PolarHBondContact O-N 3.34Å; L235-M238 HydrophobicContact CD2-CE 4.38Å; L235-M238 HydrophobicContact CD2-SD 3.93Å; M238-H240 PolarHBondContact O-N 2.89Å; M238-L241 HydrophobicContact CB-CB 3.95Å; M238-L241 PolarHBondContact O-N 2.66Å; M238-L241 HydrophobicContact SD-CD1 4.42Å; M238-L241 HydrophobicContact SD-CD2 4.29Å
239	K	84.4	Confident	86.5	Confident	171 Å²	171	38 Å²	38	74%	0.743	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.2	-175.6	-69.5	177.3	-176.8	175.9	0	114.5	G237	G237-K239 VanDerWaalsContact C-N 3.32Å; G237-K239 PolarHBondContact O-N 3.4Å
240	H	86.3	Confident	87.2	Confident	108 Å²	108	36.7 Å²	36.7	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	1	-174.9	-59.5	-63.1	0	0	0	114.1	L214 Y215 M238 K242	L214-H240 CarbonylContact O-C 3.58Å; L214-H240 VanDerWaalsContact O-C 3.26Å; Y215-H240 WeakPolarHBondContact CD2-O 3.45Å; M238-H240 PolarHBondContact O-N 2.89Å; H240-K242 PolarHBondContact O-N 2.95Å
241	L	90	Very high	88.1	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	19%	0.186	C	C	.	.			trans	-63.9	122.1	-177.1	-171.8	71.5	0	0	0	111.1	L214 L217 L235 M238 L244 W263	L214-L241 HydrophobicContact CB-CD1 4.48Å; L214-L241 WeakPolarHBondContact O-CA 3.22Å; L214-L241 PolarHBondContact O-N 2.74Å; L214-L241 VanDerWaalsContact O-N 3.09Å; L217-L241 HydrophobicContact CB-CD1 4.32Å; L235-L241 HydrophobicContact CD2-CD2 3.99Å; M238-L241 HydrophobicContact CB-CB 3.95Å; M238-L241 PolarHBondContact O-N 2.66Å; M238-L241 HydrophobicContact SD-CD1 4.42Å; M238-L241 HydrophobicContact SD-CD2 4.29Å; L241-L244 HydrophobicContact CD2-CB 4.39Å; L241-L244 HydrophobicContact CD2-CD2 4.31Å; L241-W263 HydrophobicContact CD2-CH2 4.09Å; L241-W263 HydrophobicContact CD2-CZ2 4.25Å
242	K	89.9	Confident	88.7	Confident	85 Å²	85	38.2 Å²	38.2	37%	0.37	20%	0.201	S	C	.	.			trans	-122.9	-22.4	173.8	-62.1	-164.2	-152.8	148.8	0	114	Y215 H240 I272 K273	Y215-K242 HydrophobicContact CD2-CG 4.34Å; Y215-K242 HydrophobicContact CE1-CB 4.33Å; Y215-K242 HydrophobicContact CE2-CB 4.32Å; Y215-K242 HydrophobicContact CE2-CD 3.67Å; Y215-K242 HydrophobicContact CE2-CG 3.87Å; Y215-K242 VanDerWaalsContact CE2-NZ 3.31Å; Y215-K242 PolarHBondContact O-N 2.72Å; Y215-K242 PolarHBondContact OH-NZ 2.98Å; H240-K242 PolarHBondContact O-N 2.95Å; K242-I272 CarbonylContact O-C 3.48Å; K242-I272 WeakPolarHBondContact O-CA 3.14Å; K242-K273 PolarHBondContact O-N 3.31Å
243	E	91.4	Very high	89.1	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.1	-177.7	-53.4	-159.4	172.2	0	0	109.6	Y215 L216 L217 Y245 K273	Y215-E243 PolarHBondContact O-N 3.2Å; L216-E243 CarbonylContact C-O 3.58Å; L216-E243 VanDerWaalsContact CA-O 3.3Å; L216-E243 WeakPolarHBondContact CA-O 3.5Å; L216-E243 HydrophobicContact CB-CB 4.18Å; L216-E243 HydrophobicContact CD1-CB 4.26Å; L216-E243 HydrophobicContact CG-CB 3.98Å; L217-E243 PolarHBondContact N-O 3.37Å; E243-Y245 HydrophobicContact CB-CE2 3.97Å; E243-Y245 PolarHBondContact OE2-OH 3.16Å; E243-K273 WeakPolarHBondContact CA-O 3.48Å; E243-K273 HydrophobicContact CG-CB 4.29Å; E243-K273 HydrophobicContact CG-CD 4.17Å; E243-K273 WeakPolarHBondContact OE1-CD 3.33Å; E243-K273 IonicContact OE1-NZ 3.59Å; E243-K273 PolarHBondContact OE1-NZ 2.96Å
244	L	92.5	Very high	89.4	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	93	-175.7	177.9	61.6	0	0	0	109.5	L217 L235 L241 L246 W263 I272 K273 F274	L217-L244 HydrophobicContact CB-CD1 4.01Å; L217-L244 HydrophobicContact CD2-CD1 3.93Å; L217-L244 HydrophobicContact CG-CD1 4.1Å; L217-L244 WeakPolarHBondContact O-CA 2.98Å; L235-L244 HydrophobicContact CD1-CD2 4.39Å; L235-L244 HydrophobicContact CD2-CD2 4.4Å; L241-L244 HydrophobicContact CD2-CB 4.39Å; L241-L244 HydrophobicContact CD2-CD2 4.31Å; L244-L246 HydrophobicContact CD1-CD2 4.27Å; L244-L246 HydrophobicContact CD1-CG 4.38Å; L244-L246 HydrophobicContact CD2-CD1 4.22Å; L244-L246 HydrophobicContact CG-CD1 4.19Å; L244-L246 HydrophobicContact CG-CG 4.1Å; L244-W263 HydrophobicContact CD2-CH2 3.62Å; L244-W263 HydrophobicContact CD2-CZ3 3.59Å; L244-I272 HydrophobicContact CB-CG2 4.11Å; L244-K273 PolarHBondContact N-O 3.02Å; L244-F274 WeakPolarHBondContact O-CA 3.44Å
245	Y	93.5	Very high	89.5	Confident	18 Å²	18	32 Å²	32	7%	0.071	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.2	-174	-59.2	-58.9	0	0	0	111.3	L216 L217 D218 L219 S220 E243 Q275 K276	L216-Y245 HydrophobicContact CD1-CE2 4.2Å; L216-Y245 HydrophobicContact CG-CE2 4.36Å; L217-Y245 PolarHBondContact O-N 3.29Å; D218-Y245 HydrophobicContact CB-CD2 4.16Å; D218-Y245 WeakPolarHBondContact OD1-CB 3.41Å; L219-Y245 CarbonylContact C-O 3.31Å; L219-Y245 PolarHBondContact N-O 3.22Å; S220-Y245 PolarHBondContact N-O 2.94Å; E243-Y245 HydrophobicContact CB-CE2 3.97Å; E243-Y245 PolarHBondContact OE2-OH 3.16Å; Y245-Q275 WeakPolarHBondContact CE1-O 3.49Å; Y245-K276 HydrophobicContact CD1-CB 3.69Å; Y245-K276 HydrophobicContact CD1-CD 4.49Å; Y245-K276 HydrophobicContact CD1-CG 4.45Å; Y245-K276 HydrophobicContact CD2-CD 4.35Å; Y245-K276 HydrophobicContact CE1-CB 3.9Å; Y245-K276 HydrophobicContact CG-CB 4.21Å; Y245-K276 HydrophobicContact CG-CD 4.19Å
246	L	93.3	Very high	89.4	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.182	C	C	.	.			trans	-119.7	-0.4	-176	-65	179.9	0	0	0	113.5	L219 L244 N249 W251 L260 P290	L219-L246 HydrophobicContact CB-CD2 4.22Å; L219-L246 HydrophobicContact CD1-CD2 4.29Å; L244-L246 HydrophobicContact CD1-CD2 4.27Å; L244-L246 HydrophobicContact CD1-CG 4.38Å; L244-L246 HydrophobicContact CD2-CD1 4.22Å; L244-L246 HydrophobicContact CG-CD1 4.19Å; L244-L246 HydrophobicContact CG-CG 4.1Å; L246-N249 PolarHBondContact O-ND2 2.85Å; L246-W251 HydrophobicContact CB-CZ2 3.91Å; L246-W251 HydrophobicContact CD2-CZ2 4.27Å; L246-W251 PolarHBondContact O-NE1 3.22Å; L246-L260 HydrophobicContact CD1-CD1 4.17Å; L246-L260 HydrophobicContact CD1-CD2 4.07Å; L246-P290 HydrophobicContact CB-CB 4.17Å
247	G	92.2	Very high	89.6	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.021	17%	0.17	C	C	.	.			trans	-73	162.4	-177.3	0	0	0	0	0	114.5	S220 Y221 N249 E289	S220-G247 WeakPolarHBondContact CA-O 3.43Å; S220-G247 WeakPolarHBondContact CB-O 3.48Å; Y221-G247 PolarHBondContact N-O 3.08Å; G247-N249 VanDerWaalsContact C-N 3.31Å; G247-N249 PolarHBondContact O-N 3.44Å; G247-E289 VanDerWaalsContact CA-C 3.45Å; G247-E289 VanDerWaalsContact CA-O 3.28Å; G247-E289 WeakPolarHBondContact CA-O 3.1Å
248	G	90	Very high	89.7	Confident	29 Å²	29	33.2 Å²	33.2	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	74.4	17.5	-178.2	0	0	0	0	0	114.8	Y221	Y221-G248 WeakPolarHBondContact CA-O 3.25Å; Y221-G248 VanDerWaalsContact CD1-O 3.25Å; Y221-G248 WeakPolarHBondContact CD1-O 3.43Å
249	N	93.1	Very high	89.7	Confident	10 Å²	10	34 Å²	34	5%	0.053	17%	0.169	C	C	.	.	S	Bend	trans	-108.7	147.3	176.6	-73.8	-58.2	0	0	0	110.9	L219 T222 E223 L224 L246 G247 W251	L219-N249 PolarHBondContact O-ND2 2.8Å; T222-N249 WeakPolarHBondContact CA-OD1 3.41Å; T222-N249 PolarHBondContact N-OD1 3.24Å; T222-N249 PolarHBondContact OG1-OD1 3.06Å; E223-N249 PolarHBondContact N-OD1 2.89Å; E223-N249 VanDerWaalsContact N-OD1 3.11Å; L224-N249 HydrophobicContact CB-CB 4.24Å; L224-N249 PolarHBondContact N-OD1 3.16Å; L246-N249 PolarHBondContact O-ND2 2.85Å; G247-N249 VanDerWaalsContact C-N 3.31Å; G247-N249 PolarHBondContact O-N 3.44Å; N249-W251 HydrophobicContact CB-CD2 4.3Å; N249-W251 HydrophobicContact CB-CG 4.46Å; N249-W251 HydrophobicContact CB-CZ2 3.96Å; N249-W251 PolarHBondContact O-N 3.1Å
250	P	92.9	Very high	89.9	Confident	21 Å²	21	26 Å²	26	14%	0.136	13%	0.134	C	C	.	.			trans	-78	54.5	-177.9	35.5	-39.9	0	0	0	113.3	E223 L224 T225 I252 Y293	E223-P250 VanDerWaalsContact C-CD 3.5Å; E223-P250 WeakPolarHBondContact OE2-CD 3.37Å; E223-P250 WeakPolarHBondContact OE2-CG 3.14Å; L224-P250 CarbonylContact O-C 3.54Å; L224-P250 VanDerWaalsContact O-CD 3.32Å; L224-P250 WeakPolarHBondContact O-CD 3.28Å; T225-P250 HydrophobicContact CG2-CG 4.1Å; P250-I252 PolarHBondContact O-N 3.17Å; P250-Y293 HydrophobicContact CB-CD1 3.77Å; P250-Y293 HydrophobicContact CB-CE1 4.39Å; P250-Y293 HydrophobicContact CB-CG 3.98Å
251	W	93.1	Very high	90	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	130.1	-174.1	-64.7	110.6	0	0	0	113.7	L224 L227 L246 N249 L257 Y293 K294 I303	L224-W251 HydrophobicContact CB-CH2 3.82Å; L224-W251 HydrophobicContact CB-CZ2 4.33Å; L224-W251 HydrophobicContact CB-CZ3 4.05Å; L224-W251 HydrophobicContact CD1-CH2 4.06Å; L227-W251 HydrophobicContact CB-CH2 4.31Å; L227-W251 HydrophobicContact CB-CZ3 4.07Å; L246-W251 HydrophobicContact CB-CZ2 3.91Å; L246-W251 HydrophobicContact CD2-CZ2 4.27Å; L246-W251 PolarHBondContact O-NE1 3.22Å; N249-W251 HydrophobicContact CB-CD2 4.3Å; N249-W251 HydrophobicContact CB-CG 4.46Å; N249-W251 HydrophobicContact CB-CZ2 3.96Å; N249-W251 PolarHBondContact O-N 3.1Å; W251-L257 HydrophobicContact CB-CD2 4.26Å; W251-L257 HydrophobicContact CE3-CD1 3.82Å; W251-L257 HydrophobicContact CE3-CD2 4.36Å; W251-L257 HydrophobicContact CZ3-CD1 4.08Å; W251-Y293 PolarHBondContact O-N 3.33Å; W251-K294 PolarHBondContact O-N 3.23Å; W251-I303 HydrophobicContact CB-CD1 3.52Å; W251-I303 HydrophobicContact CD2-CD1 4.43Å; W251-I303 HydrophobicContact CG-CD1 3.55Å
252	I	92.1	Very high	89.8	Confident	60 Å²	60	25 Å²	25	31%	0.308	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.5	168.2	-55.7	178.8	0	0	0	107.2	T225 P250 D254 K294	T225-I252 HydrophobicContact CG2-CD1 4.28Å; T225-I252 HydrophobicContact CG2-CG1 4.48Å; T225-I252 PolarHBondContact O-N 3.47Å; P250-I252 PolarHBondContact O-N 3.17Å; I252-D254 VanDerWaalsContact C-N 3.25Å; I252-D254 HydrophobicContact CG2-CB 4.23Å; I252-D254 PolarHBondContact O-N 3Å; I252-K294 WeakPolarHBondContact CA-O 3.43Å; I252-K294 HydrophobicContact CG1-CB 4.3Å; I252-K294 HydrophobicContact CG2-CB 4.49Å
253	C	92.1	Very high	89.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.			trans	-85.3	66.2	-179.5	-67.3	0	0	0	0	111	C292 K294 L298 I303 L325	C253-C292 HydrophobicContact CB-CB 3.88Å; C253-C292 WeakPolarHBondContact CB-SG 3.05Å; C253-C292 WeakPolarHBondContact SG-CA 3.37Å; C253-C292 WeakPolarHBondContact SG-CB 3.5Å; C253-C292 CovalentContact SG-SG 2.02Å; C253-C292 PolarHBondContact SG-SG 3.11Å; C253-K294 PolarHBondContact N-O 3.1Å; C253-L298 HydrophobicContact CB-CD1 3.85Å; C253-I303 VanDerWaalsContact SG-CG1 3.54Å; C253-L325 HydrophobicContact CB-CD2 3.78Å
254	D	88.1	Confident	89.5	Confident	28 Å²	28	20.9 Å²	20.9	15%	0.15	11%	0.114	C	C	.	.	S	Bend	trans	-104.7	-170.5	170.9	73.6	9.9	0	0	0	111	I252 K256 L257	I252-D254 VanDerWaalsContact C-N 3.25Å; I252-D254 HydrophobicContact CG2-CB 4.23Å; I252-D254 PolarHBondContact O-N 3Å; D254-K256 PolarHBondContact O-N 3.19Å; D254-K256 WeakPolarHBondContact OD1-CA 3.44Å; D254-K256 WeakPolarHBondContact OD1-CB 3.21Å; D254-K256 PolarHBondContact OD1-N 3.04Å; D254-L257 PolarHBondContact O-N 3.2Å
255	C	84.3	Confident	89	Confident	20 Å²	20	24 Å²	24	14%	0.135	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-57.8	-26.3	178.6	73	0	0	0	0	114.3	L257 N258 L325 C327 H353	C255-L257 PolarHBondContact O-N 2.72Å; C255-N258 WeakPolarHBondContact O-CB 3.46Å; C255-N258 PolarHBondContact O-N 3.29Å; C255-N258 VanDerWaalsContact O-N 3.16Å; C255-L325 VanDerWaalsContact CA-O 3.23Å; C255-L325 WeakPolarHBondContact CA-O 3.38Å; C255-L325 PolarHBondContact N-O 2.89Å; C255-C327 HydrophobicContact CB-CB 3.84Å; C255-C327 WeakPolarHBondContact CB-SG 3.32Å; C255-C327 PolarHBondContact N-SG 3.34Å; C255-C327 WeakPolarHBondContact SG-CB 3.22Å; C255-C327 CovalentContact SG-SG 2.04Å; C255-C327 PolarHBondContact SG-SG 3.18Å; C255-H353 PolarHBondContact SG-CE1 3.03Å
256	K	82.5	Confident	88.5	Confident	59 Å²	59	29.5 Å²	29.5	26%	0.257	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-72.8	-18.5	-177.1	-56.5	174.4	178.8	179.4	0	111.9	D254 W259	D254-K256 PolarHBondContact O-N 3.19Å; D254-K256 WeakPolarHBondContact OD1-CA 3.44Å; D254-K256 WeakPolarHBondContact OD1-CB 3.21Å; D254-K256 PolarHBondContact OD1-N 3.04Å; K256-W259 PolarHBondContact O-NE1 2.82Å
257	L	88.9	Confident	87.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-91.9	-3.1	174.9	-149.7	65.8	0	0	0	113.2	W251 D254 C255 W259 L260 K261 I303	W251-L257 HydrophobicContact CB-CD2 4.26Å; W251-L257 HydrophobicContact CE3-CD1 3.82Å; W251-L257 HydrophobicContact CE3-CD2 4.36Å; W251-L257 HydrophobicContact CZ3-CD1 4.08Å; D254-L257 PolarHBondContact O-N 3.2Å; C255-L257 PolarHBondContact O-N 2.72Å; L257-W259 PolarHBondContact O-N 2.78Å; L257-L260 HydrophobicContact CD1-CB 4.45Å; L257-L260 HydrophobicContact CD1-CD2 3.82Å; L257-L260 HydrophobicContact CG-CD2 4.31Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-K261 PolarHBondContact O-N 3.33Å; L257-I303 HydrophobicContact CD2-CD1 3.9Å; L257-I303 HydrophobicContact CD2-CG1 4.37Å; L257-I303 HydrophobicContact CD2-CG2 3.97Å
258	N	85.1	Confident	86.4	Confident	56 Å²	56	32.7 Å²	32.7	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-44.6	-178.1	-175.6	29.7	0	0	0	112.8	C255 L260 K261 L262 F322 L325	C255-N258 WeakPolarHBondContact O-CB 3.46Å; C255-N258 PolarHBondContact O-N 3.29Å; C255-N258 VanDerWaalsContact O-N 3.16Å; N258-L260 VanDerWaalsContact C-N 3.27Å; N258-L260 PolarHBondContact O-N 2.98Å; N258-K261 PolarHBondContact O-N 3.17Å; N258-L262 WeakPolarHBondContact O-CG 3.18Å; N258-L262 PolarHBondContact O-N 3.09Å; N258-F322 WeakPolarHBondContact OD1-CD1 3.16Å; N258-F322 WeakPolarHBondContact OD1-CE1 3.33Å; N258-L325 HydrophobicContact CB-CD1 4.32Å
259	W	87.2	Confident	84.8	Confident	20 Å²	20	39.6 Å²	39.6	8%	0.076	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-38.8	179.3	77.3	-93.5	0	0	0	112	L227 H228 E229 N231 E232 L235 K256 L257 K261 L262 W263	L227-W259 HydrophobicContact CB-CZ2 4.02Å; L227-W259 HydrophobicContact CD2-CH2 3.84Å; L227-W259 HydrophobicContact CD2-CZ2 3.79Å; L227-W259 HydrophobicContact CG-CH2 4.33Å; L227-W259 HydrophobicContact CG-CZ2 3.85Å; L227-W259 WeakPolarHBondContact O-CZ2 3.33Å; L227-W259 PolarHBondContact O-NE1 3.22Å; H228-W259 WeakPolarHBondContact O-CZ2 3.37Å; E229-W259 HydrophobicContact CB-CB 4.3Å; E229-W259 VanDerWaalsContact CB-CD1 3.43Å; E229-W259 HydrophobicContact CB-CD2 4.25Å; E229-W259 HydrophobicContact CB-CG 3.73Å; N231-W259 HydrophobicContact CB-CH2 4.05Å; N231-W259 HydrophobicContact CB-CZ2 4.38Å; E232-W259 HydrophobicContact CB-CD2 4.49Å; E232-W259 HydrophobicContact CB-CE3 3.62Å; E232-W259 HydrophobicContact CB-CZ3 3.83Å; E232-W259 HydrophobicContact CG-CE3 3.83Å; E232-W259 HydrophobicContact CG-CZ3 4.11Å; L235-W259 HydrophobicContact CD1-CH2 3.91Å; L235-W259 HydrophobicContact CD1-CZ3 4.04Å; K256-W259 PolarHBondContact O-NE1 2.82Å; L257-W259 PolarHBondContact O-N 2.78Å; W259-K261 PolarHBondContact O-N 2.78Å; W259-L262 PolarHBondContact O-N 2.83Å; W259-W263 HydrophobicContact CE3-CB 4.24Å; W259-W263 HydrophobicContact CZ3-CB 4.4Å; W259-W263 HydrophobicContact CZ3-CG 4.49Å; W259-W263 VanDerWaalsContact O-CB 3.22Å; W259-W263 WeakPolarHBondContact O-CB 3.28Å; W259-W263 PolarHBondContact O-N 3.09Å
260	L	89.7	Confident	83.4	Confident	3 Å²	3	44 Å²	44	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-40.2	-176.9	178.1	63.3	0	0	0	110.9	L227 L246 L257 N258 W263 F264	L227-L260 HydrophobicContact CD2-CD1 4.45Å; L246-L260 HydrophobicContact CD1-CD1 4.17Å; L246-L260 HydrophobicContact CD1-CD2 4.07Å; L257-L260 HydrophobicContact CD1-CB 4.45Å; L257-L260 HydrophobicContact CD1-CD2 3.82Å; L257-L260 HydrophobicContact CG-CD2 4.31Å; L257-L260 PolarHBondContact O-N 3.42Å; N258-L260 VanDerWaalsContact C-N 3.27Å; N258-L260 PolarHBondContact O-N 2.98Å; L260-W263 HydrophobicContact CD1-CE3 4.36Å; L260-F264 WeakPolarHBondContact O-CB 3.48Å; L260-F264 PolarHBondContact O-N 3.22Å
261	K	87.8	Confident	82.5	Confident	12 Å²	12	50.3 Å²	50.3	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-41.2	175	-173.9	-175.3	163.7	-160.9	0	111.7	L257 N258 W259 F264 I265 V320 F322 L325	L257-K261 PolarHBondContact O-N 3.33Å; N258-K261 PolarHBondContact O-N 3.17Å; W259-K261 PolarHBondContact O-N 2.78Å; K261-F264 PolarHBondContact O-N 2.93Å; K261-I265 HydrophobicContact CG-CD1 4.5Å; K261-I265 WeakPolarHBondContact O-CG1 2.93Å; K261-I265 PolarHBondContact O-N 3.31Å; K261-I265 VanDerWaalsContact O-N 3.1Å; K261-V320 WeakPolarHBondContact CE-O 3.34Å; K261-V320 PolarHBondContact NZ-O 2.94Å; K261-F322 HydrophobicContact CB-CE1 3.93Å; K261-F322 HydrophobicContact CB-CZ 4.29Å; K261-F322 HydrophobicContact CD-CD1 3.97Å; K261-F322 HydrophobicContact CD-CE1 3.48Å; K261-F322 VanDerWaalsContact CD-CE1 3.48Å; K261-F322 HydrophobicContact CD-CE2 4.34Å; K261-F322 HydrophobicContact CD-CZ 3.7Å; K261-F322 VanDerWaalsContact CE-CZ 3.5Å; K261-F322 HydrophobicContact CG-CE1 3.7Å; K261-F322 HydrophobicContact CG-CZ 3.69Å; K261-L325 HydrophobicContact CD-CD1 4.08Å
262	L	85.3	Confident	82.1	Confident	86 Å²	86	51 Å²	51	45%	0.45	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-48.1	173.9	-72.4	169.1	0	0	0	111.6	N258 W259 F264 I265 K266 F322	N258-L262 WeakPolarHBondContact O-CG 3.18Å; N258-L262 PolarHBondContact O-N 3.09Å; W259-L262 PolarHBondContact O-N 2.83Å; L262-F264 PolarHBondContact O-N 3.24Å; L262-I265 PolarHBondContact O-N 3.2Å; L262-K266 VanDerWaalsContact O-CB 3.29Å; L262-K266 WeakPolarHBondContact O-CB 3.26Å; L262-K266 PolarHBondContact O-N 3.37Å; L262-F322 HydrophobicContact CD2-CE1 3.73Å; L262-F322 HydrophobicContact CD2-CE2 4.33Å; L262-F322 HydrophobicContact CD2-CZ 3.6Å; L262-F322 HydrophobicContact CG-CE1 3.76Å; L262-F322 HydrophobicContact CG-CZ 4.02Å
263	W	87.6	Confident	81.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-46.5	176.2	174.1	89.8	0	0	0	111.5	E232 L235 N236 L241 L244 W259 L260 I265 K266 K267 I272	E232-W263 HydrophobicContact CG-CB 4.19Å; E232-W263 HydrophobicContact CG-CG 4.2Å; L235-W263 HydrophobicContact CB-CD2 4.36Å; L235-W263 HydrophobicContact CB-CH2 4.48Å; L235-W263 HydrophobicContact CB-CZ2 3.61Å; L235-W263 HydrophobicContact CD1-CD2 4.32Å; L235-W263 HydrophobicContact CD1-CE3 4.44Å; L235-W263 HydrophobicContact CD1-CH2 4.42Å; L235-W263 HydrophobicContact CD1-CZ2 4.26Å; L235-W263 HydrophobicContact CG-CZ2 4.37Å; N236-W263 PolarHBondContact OD1-NE1 2.77Å; L241-W263 HydrophobicContact CD2-CH2 4.09Å; L241-W263 HydrophobicContact CD2-CZ2 4.25Å; L244-W263 HydrophobicContact CD2-CH2 3.62Å; L244-W263 HydrophobicContact CD2-CZ3 3.59Å; W259-W263 HydrophobicContact CE3-CB 4.24Å; W259-W263 HydrophobicContact CZ3-CB 4.4Å; W259-W263 HydrophobicContact CZ3-CG 4.49Å; W259-W263 VanDerWaalsContact O-CB 3.22Å; W259-W263 WeakPolarHBondContact O-CB 3.28Å; W259-W263 PolarHBondContact O-N 3.09Å; L260-W263 HydrophobicContact CD1-CE3 4.36Å; W263-I265 PolarHBondContact O-N 3.46Å; W263-K266 PolarHBondContact O-N 3.11Å; W263-K267 HydrophobicContact CD2-CG 4.18Å; W263-K267 HydrophobicContact CG-CG 4.48Å; W263-K267 HydrophobicContact CZ2-CB 4.38Å; W263-K267 HydrophobicContact CZ2-CD 4.28Å; W263-K267 HydrophobicContact CZ2-CG 3.9Å; W263-K267 WeakPolarHBondContact O-CB 3.41Å; W263-K267 WeakPolarHBondContact O-CG 3.41Å; W263-K267 PolarHBondContact O-N 3.24Å; W263-I272 HydrophobicContact CH2-CD1 3.66Å; W263-I272 HydrophobicContact CZ2-CD1 4.17Å; W263-I272 HydrophobicContact CZ3-CD1 4.43Å
264	F	87.5	Confident	81.7	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-43.3	179.5	178.4	-98.8	0	0	0	112.2	L260 K261 L262 K267 S268 F274 L304	L260-F264 WeakPolarHBondContact O-CB 3.48Å; L260-F264 PolarHBondContact O-N 3.22Å; K261-F264 PolarHBondContact O-N 2.93Å; L262-F264 PolarHBondContact O-N 3.24Å; F264-K267 CarbonylContact O-C 3.6Å; F264-K267 PolarHBondContact O-N 3.5Å; F264-S268 WeakPolarHBondContact CE1-OG 3.3Å; F264-S268 WeakPolarHBondContact O-CA 3.4Å; F264-S268 WeakPolarHBondContact O-CB 3.43Å; F264-S268 PolarHBondContact O-N 3.18Å; F264-S268 PolarHBondContact O-OG 2.71Å; F264-F274 HydrophobicContact CE1-CE1 4.37Å; F264-F274 HydrophobicContact CE2-CB 4.46Å; F264-F274 AromaticContact CE2-CD1 3.58Å; F264-F274 HydrophobicContact CE2-CD1 3.58Å; F264-F274 HydrophobicContact CE2-CE1 4.14Å; F264-F274 HydrophobicContact CE2-CG 4.17Å; F264-F274 AromaticContact CZ-CD1 3.45Å; F264-F274 HydrophobicContact CZ-CD1 3.45Å; F264-F274 VanDerWaalsContact CZ-CD1 3.45Å; F264-F274 AromaticContact CZ-CE1 3.51Å; F264-F274 HydrophobicContact CZ-CE1 3.51Å; F264-F274 HydrophobicContact CZ-CG 4.29Å; F264-F274 HydrophobicContact CZ-CZ 4.35Å; F264-L304 HydrophobicContact CB-CD1 4.44Å; F264-L304 HydrophobicContact CB-CD2 3.61Å; F264-L304 HydrophobicContact CD1-CB 3.96Å; F264-L304 HydrophobicContact CD1-CD2 4.05Å; F264-L304 HydrophobicContact CD1-CG 4.43Å; F264-L304 HydrophobicContact CD2-CB 4.45Å; F264-L304 HydrophobicContact CD2-CD1 3.85Å; F264-L304 HydrophobicContact CD2-CD2 4.4Å; F264-L304 HydrophobicContact CD2-CG 4.46Å; F264-L304 HydrophobicContact CE1-CB 4.03Å; F264-L304 HydrophobicContact CE2-CD1 4.3Å; F264-L304 HydrophobicContact CG-CB 4.18Å; F264-L304 HydrophobicContact CG-CD1 4.05Å; F264-L304 HydrophobicContact CG-CD2 3.75Å; F264-L304 HydrophobicContact CG-CG 4.21Å; F264-L304 HydrophobicContact CZ-CB 4.32Å
265	I	83.2	Confident	81.7	Confident	70 Å²	70	53.9 Å²	53.9	36%	0.359	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-45.2	175.7	-67.8	176.7	0	0	0	110.4	K261 L262 W263 K267 S268 F322	K261-I265 HydrophobicContact CG-CD1 4.5Å; K261-I265 WeakPolarHBondContact O-CG1 2.93Å; K261-I265 PolarHBondContact O-N 3.31Å; K261-I265 VanDerWaalsContact O-N 3.1Å; L262-I265 PolarHBondContact O-N 3.2Å; W263-I265 PolarHBondContact O-N 3.46Å; I265-K267 VanDerWaalsContact C-N 3.25Å; I265-K267 PolarHBondContact O-N 2.58Å; I265-S268 WeakPolarHBondContact O-CB 3.35Å; I265-S268 PolarHBondContact O-N 3.5Å; I265-F322 HydrophobicContact CD1-CE2 3.69Å; I265-F322 HydrophobicContact CD1-CZ 3.75Å
266	K	82.2	Confident	81.8	Confident	134 Å²	134	55.3 Å²	55.3	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-61.3	-29	176.3	-177	179.8	175.5	-173.5	0	113.4	E232 L262 W263	E232-K266 IonicContact OE1-NZ 3.2Å; L262-K266 VanDerWaalsContact O-CB 3.29Å; L262-K266 WeakPolarHBondContact O-CB 3.26Å; L262-K266 PolarHBondContact O-N 3.37Å; W263-K266 PolarHBondContact O-N 3.11Å
267	K	79.2	Confident	81.8	Confident	35 Å²	35	57.3 Å²	57.3	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-99.2	-7	178.4	-69.6	-90.1	-172.5	159.7	0	114.2	L235 N236 W263 F264 I265 F269 N270 I272	L235-K267 PolarHBondContact O-NZ 3.25Å; N236-K267 PolarHBondContact O-NZ 2.98Å; N236-K267 VanDerWaalsContact OD1-CE 3.22Å; N236-K267 WeakPolarHBondContact OD1-CE 3.37Å; W263-K267 HydrophobicContact CD2-CG 4.18Å; W263-K267 HydrophobicContact CG-CG 4.48Å; W263-K267 HydrophobicContact CZ2-CB 4.38Å; W263-K267 HydrophobicContact CZ2-CD 4.28Å; W263-K267 HydrophobicContact CZ2-CG 3.9Å; W263-K267 WeakPolarHBondContact O-CB 3.41Å; W263-K267 WeakPolarHBondContact O-CG 3.41Å; W263-K267 PolarHBondContact O-N 3.24Å; F264-K267 CarbonylContact O-C 3.6Å; F264-K267 PolarHBondContact O-N 3.5Å; I265-K267 VanDerWaalsContact C-N 3.25Å; I265-K267 PolarHBondContact O-N 2.58Å; K267-F269 PolarHBondContact O-N 2.93Å; K267-F269 VanDerWaalsContact O-N 3.13Å; K267-N270 PolarHBondContact O-N 3Å; K267-I272 HydrophobicContact CB-CD1 3.82Å
268	S	62.1	Low	81.4	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.8	-24.8	-176.5	-75.1	0	0	0	0	113.3	F264 I265 N270 H271	F264-S268 WeakPolarHBondContact CE1-OG 3.3Å; F264-S268 WeakPolarHBondContact O-CA 3.4Å; F264-S268 WeakPolarHBondContact O-CB 3.43Å; F264-S268 PolarHBondContact O-N 3.18Å; F264-S268 PolarHBondContact O-OG 2.71Å; I265-S268 WeakPolarHBondContact O-CB 3.35Å; I265-S268 PolarHBondContact O-N 3.5Å; S268-N270 PolarHBondContact O-N 2.95Å; S268-N270 VanDerWaalsContact O-N 3.1Å; S268-H271 PolarHBondContact O-N 2.68Å; S268-H271 VanDerWaalsContact O-N 3.07Å
269	F	57.4	Low	80.9	Confident	175 Å²	175	58.7 Å²	58.7	77%	0.768	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-55	-21.9	170.5	-61.7	-78.6	0	0	0	113.9	K267	K267-F269 PolarHBondContact O-N 2.93Å; K267-F269 VanDerWaalsContact O-N 3.13Å
270	N	63.3	Low	80.4	Confident	102 Å²	102	59.9 Å²	59.9	55%	0.545	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-96.6	9.5	179.5	-68.7	13.2	0	0	0	114	K267 S268 I272	K267-N270 PolarHBondContact O-N 3Å; S268-N270 PolarHBondContact O-N 2.95Å; S268-N270 VanDerWaalsContact O-N 3.1Å; N270-I272 PolarHBondContact O-N 2.66Å
271	H	74.5	Confident	79.7	Confident	154 Å²	154	65.1 Å²	65.1	71%	0.713	33%	0.327	S	S	*	.			trans	54.6	46.3	179.5	-63.7	-81.6	0	0	0	114.9	S268 K273	S268-H271 PolarHBondContact O-N 2.68Å; S268-H271 VanDerWaalsContact O-N 3.07Å; H271-K273 PolarHBondContact O-N 3.31Å
272	I	84.4	Confident	79.2	Confident	14 Å²	14	70.4 Å²	70.4	7%	0.072	36%	0.356	C	S	.	.			trans	-66.3	123.6	175.3	-58.8	-176.7	0	0	0	110.4	K242 L244 W263 K267 N270	K242-I272 CarbonylContact O-C 3.48Å; K242-I272 WeakPolarHBondContact O-CA 3.14Å; L244-I272 HydrophobicContact CB-CG2 4.11Å; W263-I272 HydrophobicContact CH2-CD1 3.66Å; W263-I272 HydrophobicContact CZ2-CD1 4.17Å; W263-I272 HydrophobicContact CZ3-CD1 4.43Å; K267-I272 HydrophobicContact CB-CD1 3.82Å; N270-I272 PolarHBondContact O-N 2.66Å
273	K	87.9	Confident	78.8	Confident	55 Å²	55	68.2 Å²	68.2	24%	0.239	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-80.5	132.9	171	-59	178.8	-159.5	153	0	110.3	K242 E243 L244 H271 D845	K242-K273 PolarHBondContact O-N 3.31Å; E243-K273 WeakPolarHBondContact CA-O 3.48Å; E243-K273 HydrophobicContact CG-CB 4.29Å; E243-K273 HydrophobicContact CG-CD 4.17Å; E243-K273 WeakPolarHBondContact OE1-CD 3.33Å; E243-K273 IonicContact OE1-NZ 3.59Å; E243-K273 PolarHBondContact OE1-NZ 2.96Å; L244-K273 PolarHBondContact N-O 3.02Å; H271-K273 PolarHBondContact O-N 3.31Å; K273-D845 WeakPolarHBondContact CE-O 3.41Å; K273-D845 PolarHBondContact NZ-O 2.95Å
274	F	88.5	Confident	78.4	Confident	17 Å²	17	74 Å²	74	8%	0.075	38%	0.382	C	S	.	.			trans	-128.8	-6.5	178.5	63.3	-82.5	0	0	0	112.9	L244 F264 E289 P290 L304	L244-F274 WeakPolarHBondContact O-CA 3.44Å; F264-F274 HydrophobicContact CE1-CE1 4.37Å; F264-F274 HydrophobicContact CE2-CB 4.46Å; F264-F274 AromaticContact CE2-CD1 3.58Å; F264-F274 HydrophobicContact CE2-CD1 3.58Å; F264-F274 HydrophobicContact CE2-CE1 4.14Å; F264-F274 HydrophobicContact CE2-CG 4.17Å; F264-F274 AromaticContact CZ-CD1 3.45Å; F264-F274 HydrophobicContact CZ-CD1 3.45Å; F264-F274 VanDerWaalsContact CZ-CD1 3.45Å; F264-F274 AromaticContact CZ-CE1 3.51Å; F264-F274 HydrophobicContact CZ-CE1 3.51Å; F264-F274 HydrophobicContact CZ-CG 4.29Å; F264-F274 HydrophobicContact CZ-CZ 4.35Å; F274-E289 HydrophobicContact CD2-CB 4.48Å; F274-E289 HydrophobicContact CE2-CB 4.39Å; F274-P290 HydrophobicContact CD2-CG 4.24Å; F274-L304 HydrophobicContact CB-CD1 4.13Å; F274-L304 HydrophobicContact CD2-CB 3.91Å; F274-L304 HydrophobicContact CD2-CD1 4.43Å; F274-L304 HydrophobicContact CE2-CB 4.01Å; F274-L304 WeakPolarHBondContact CE2-O 3.2Å; F274-L304 HydrophobicContact CG-CB 4.3Å; F274-L304 HydrophobicContact CG-CD1 4.32Å
275	Q	87.4	Confident	77.9	Confident	77 Å²	77	79.5 Å²	79.5	36%	0.36	41%	0.41	S	S	.	.			trans	-105	128.4	-177.4	-54.3	179.4	-47.7	0	0	110.1	Y245 L287 I288 E289	Y245-Q275 WeakPolarHBondContact CE1-O 3.49Å; Q275-L287 HydrophobicContact CB-CD1 3.77Å; Q275-L287 HydrophobicContact CB-CD2 4.3Å; Q275-L287 HydrophobicContact CB-CG 4Å; Q275-L287 HydrophobicContact CG-CD2 4.49Å; Q275-I288 CarbonylContact C-O 3.26Å; Q275-I288 VanDerWaalsContact CA-O 3.29Å; Q275-I288 WeakPolarHBondContact CA-O 3Å; Q275-E289 HydrophobicContact CG-CB 3.97Å; Q275-E289 PolarHBondContact NE2-OE2 3.09Å
276	K	85.6	Confident	77.8	Confident	51 Å²	51	81.3 Å²	81.3	22%	0.222	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	-175	-176	175.5	172.2	-176.7	0	110.5	D218 S220 Y245 K278 I288	D218-K276 IonicContact OD1-NZ 2.69Å; D218-K276 IonicContact OD2-NZ 2.68Å; D218-K276 PolarHBondContact OD2-NZ 2.91Å; S220-K276 PolarHBondContact OG-NZ 2.99Å; Y245-K276 HydrophobicContact CD1-CB 3.69Å; Y245-K276 HydrophobicContact CD1-CD 4.49Å; Y245-K276 HydrophobicContact CD1-CG 4.45Å; Y245-K276 HydrophobicContact CD2-CD 4.35Å; Y245-K276 HydrophobicContact CE1-CB 3.9Å; Y245-K276 HydrophobicContact CG-CB 4.21Å; Y245-K276 HydrophobicContact CG-CD 4.19Å; K276-K278 PolarHBondContact O-N 2.89Å; K276-I288 HydrophobicContact CB-CB 4.48Å; K276-I288 HydrophobicContact CB-CD1 4.38Å; K276-I288 HydrophobicContact CD-CD1 4.5Å; K276-I288 HydrophobicContact CG-CD1 4.44Å; K276-I288 PolarHBondContact N-O 3.19Å; K276-I288 WeakPolarHBondContact O-CB 2.94Å; K276-I288 WeakPolarHBondContact O-CG1 3.32Å; K276-I288 PolarHBondContact O-N 2.9Å
277	N	83.6	Confident	77.8	Confident	100 Å²	100	79 Å²	79	54%	0.535	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.7	171.2	-72.6	-17.8	0	0	0	109.7	I285 L287	N277-I285 HydrophobicContact CB-CG2 3.69Å; N277-L287 VanDerWaalsContact OD1-CD1 3.32Å; N277-L287 WeakPolarHBondContact OD1-CD1 3.25Å
278	K	79.8	Confident	78.1	Confident	45 Å²	45	78.1 Å²	78.1	20%	0.196	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.3	161.8	168.6	169.2	175.6	168.1	0	108.4	Y221 K276 E286 I288 S786	Y221-K278 HydrophobicContact CE2-CD 4.34Å; K276-K278 PolarHBondContact O-N 2.89Å; K278-E286 PolarHBondContact N-O 2.99Å; K278-E286 PolarHBondContact O-N 3.43Å; K278-I288 HydrophobicContact CB-CD1 3.36Å; K278-I288 HydrophobicContact CB-CG1 3.77Å; K278-I288 HydrophobicContact CD-CD1 4.05Å; K278-I288 HydrophobicContact CG-CD1 4.32Å; K278-S786 PolarHBondContact NZ-OG 3.4Å
279	T	75.4	Confident	79.4	Confident	41 Å²	41	77.8 Å²	77.8	25%	0.252	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.7	175.5	53.3	0	0	0	0	110.1	H284 I285 W783	T279-H284 WeakPolarHBondContact CA-O 2.9Å; T279-I285 HydrophobicContact CG2-CG1 4.06Å; T279-W783 VanDerWaalsContact CB-CH2 3.41Å; T279-W783 HydrophobicContact CG2-CH2 3.86Å; T279-W783 HydrophobicContact CG2-CZ3 4.15Å; T279-W783 WeakPolarHBondContact OG1-CH2 3.32Å; T279-W783 WeakPolarHBondContact OG1-CZ3 3.26Å
280	N	76.7	Confident	81.1	Confident	45 Å²	45	69.6 Å²	69.6	24%	0.241	37%	0.366	C	S	.	.			trans	-86.2	174.5	-177.5	70.5	26.5	0	0	0	112.2	N282 G283 H284	N280-N282 PolarHBondContact O-N 3.32Å; N280-N282 PolarHBondContact OD1-N 2.85Å; N280-N282 VanDerWaalsContact OD1-N 3.14Å; N280-G283 PolarHBondContact O-N 3.02Å; N280-H284 PolarHBondContact N-O 2.62Å; N280-H284 PolarHBondContact OD1-N 2.76Å
281	S	74.6	Confident	82.5	Confident	113 Å²	113	67.9 Å²	67.9	79%	0.79	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.5	-177.6	55.1	0	0	0	0	114.8
282	N	77.8	Confident	83.4	Confident	122 Å²	122	60.8 Å²	60.8	65%	0.652	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3.8	-175.6	-56.9	3.4	0	0	0	111.7	N280 H284	N280-N282 PolarHBondContact O-N 3.32Å; N280-N282 PolarHBondContact OD1-N 2.85Å; N280-N282 VanDerWaalsContact OD1-N 3.14Å; N282-H284 VanDerWaalsContact C-N 3.32Å
283	G	75.9	Confident	83.9	Confident	41 Å²	41	65.8 Å²	65.8	42%	0.423	34%	0.343	S	S	.	.	S	Bend	trans	81.6	3	-178.4	0	0	0	0	0	114.9	N280	N280-G283 PolarHBondContact O-N 3.02Å
284	H	78.8	Confident	84	Confident	124 Å²	124	66.7 Å²	66.7	57%	0.574	35%	0.347	S	S	*	.			trans	-79.1	143.1	176.3	-61.9	-62.8	0	0	0	110.9	T279 N280 N282	T279-H284 WeakPolarHBondContact CA-O 2.9Å; N280-H284 PolarHBondContact N-O 2.62Å; N280-H284 PolarHBondContact OD1-N 2.76Å; N282-H284 VanDerWaalsContact C-N 3.32Å
285	I	78	Confident	84.1	Confident	120 Å²	120	67.7 Å²	67.7	62%	0.615	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.8	172	-51	175.4	0	0	0	108.1	N277 T279	N277-I285 HydrophobicContact CB-CG2 3.69Å; T279-I285 HydrophobicContact CG2-CG1 4.06Å
286	E	80	Confident	84.2	Confident	108 Å²	108	68.8 Å²	68.8	51%	0.505	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.3	177.2	-172.6	174.2	163.2	0	0	108.8	K278	K278-E286 PolarHBondContact N-O 2.99Å; K278-E286 PolarHBondContact O-N 3.43Å
287	L	82.4	Confident	84.3	Confident	85 Å²	85	73.2 Å²	73.2	45%	0.445	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.7	-175.6	-168.7	68.6	0	0	0	109.5	Q275 N277	Q275-L287 HydrophobicContact CB-CD1 3.77Å; Q275-L287 HydrophobicContact CB-CD2 4.3Å; Q275-L287 HydrophobicContact CB-CG 4Å; Q275-L287 HydrophobicContact CG-CD2 4.49Å; N277-L287 VanDerWaalsContact OD1-CD1 3.32Å; N277-L287 WeakPolarHBondContact OD1-CD1 3.25Å
288	I	86	Confident	84.6	Confident	16 Å²	16	68.5 Å²	68.5	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.5	176.3	-41.8	161.1	0	0	0	108.8	Y221 Q275 K276 K278	Y221-I288 HydrophobicContact CE2-CD1 3.61Å; Y221-I288 HydrophobicContact CE2-CG2 4.42Å; Y221-I288 WeakPolarHBondContact OH-CD1 3.19Å; Q275-I288 CarbonylContact C-O 3.26Å; Q275-I288 VanDerWaalsContact CA-O 3.29Å; Q275-I288 WeakPolarHBondContact CA-O 3Å; K276-I288 HydrophobicContact CB-CB 4.48Å; K276-I288 HydrophobicContact CB-CD1 4.38Å; K276-I288 HydrophobicContact CD-CD1 4.5Å; K276-I288 HydrophobicContact CG-CD1 4.44Å; K276-I288 PolarHBondContact N-O 3.19Å; K276-I288 WeakPolarHBondContact O-CB 2.94Å; K276-I288 WeakPolarHBondContact O-CG1 3.32Å; K276-I288 PolarHBondContact O-N 2.9Å; K278-I288 HydrophobicContact CB-CD1 3.36Å; K278-I288 HydrophobicContact CB-CG1 3.77Å; K278-I288 HydrophobicContact CD-CD1 4.05Å; K278-I288 HydrophobicContact CG-CD1 4.32Å
289	E	89.1	Confident	85.2	Confident	28 Å²	28	71.7 Å²	71.7	13%	0.131	37%	0.373	C	S	.	.			trans	-138.8	165.5	174.3	73.5	-174.3	150.5	0	0	110.5	G247 F274 Q275 L291 R302	G247-E289 VanDerWaalsContact CA-C 3.45Å; G247-E289 VanDerWaalsContact CA-O 3.28Å; G247-E289 WeakPolarHBondContact CA-O 3.1Å; F274-E289 HydrophobicContact CD2-CB 4.48Å; F274-E289 HydrophobicContact CE2-CB 4.39Å; Q275-E289 HydrophobicContact CG-CB 3.97Å; Q275-E289 PolarHBondContact NE2-OE2 3.09Å; E289-L291 HydrophobicContact CG-CD2 3.69Å; E289-L291 HydrophobicContact CG-CG 4.19Å; E289-L291 PolarHBondContact O-N 3.23Å; E289-R302 HydrophobicContact CG-CG 4.45Å; E289-R302 WeakPolarHBondContact OE1-CD 3.32Å; E289-R302 WeakPolarHBondContact OE1-CG 3.28Å
290	P	92.3	Very high	85.9	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.019	38%	0.383	C	S	.	.			trans	-75.6	106.4	179.2	29.4	-30.3	0	0	0	110.4	L246 F274 I303 L304	L246-P290 HydrophobicContact CB-CB 4.17Å; F274-P290 HydrophobicContact CD2-CG 4.24Å; P290-I303 HydrophobicContact CB-CB 4.48Å; P290-I303 HydrophobicContact CB-CD1 4.18Å; P290-I303 WeakPolarHBondContact O-CB 3.32Å; P290-I303 WeakPolarHBondContact O-CG1 3.29Å; P290-I303 PolarHBondContact O-N 3.16Å; P290-L304 HydrophobicContact CG-CB 4.03Å; P290-L304 HydrophobicContact CG-CD1 3.82Å; P290-L304 HydrophobicContact CG-CG 3.71Å
291	L	93.3	Very high	86.5	Confident	66 Å²	66	71.4 Å²	71.4	35%	0.346	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-107.7	149.3	176.6	-56.1	-178.5	0	0	0	110.7	E289 K301 R302	E289-L291 HydrophobicContact CG-CD2 3.69Å; E289-L291 HydrophobicContact CG-CG 4.19Å; E289-L291 PolarHBondContact O-N 3.23Å; L291-K301 CarbonylContact C-O 3.57Å; L291-K301 VanDerWaalsContact CA-O 3.31Å; L291-K301 WeakPolarHBondContact CA-O 3.41Å; L291-R302 HydrophobicContact CD2-CB 4.3Å; L291-R302 HydrophobicContact CD2-CG 3.6Å
292	C	94.6	Very high	87.3	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.034	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.7	171.7	-59.7	0	0	0	0	112	C253 L298 K299 G300 K301 V320	C253-C292 HydrophobicContact CB-CB 3.88Å; C253-C292 WeakPolarHBondContact CB-SG 3.05Å; C253-C292 WeakPolarHBondContact SG-CA 3.37Å; C253-C292 WeakPolarHBondContact SG-CB 3.5Å; C253-C292 CovalentContact SG-SG 2.02Å; C253-C292 PolarHBondContact SG-SG 3.11Å; C292-L298 HydrophobicContact CB-CB 4.15Å; C292-L298 VanDerWaalsContact CB-O 3.28Å; C292-L298 WeakPolarHBondContact CB-O 3.46Å; C292-K299 CarbonylContact O-C 3.45Å; C292-K299 WeakPolarHBondContact O-CA 3.35Å; C292-G300 PolarHBondContact O-N 2.78Å; C292-K301 PolarHBondContact N-O 2.95Å; C292-V320 WeakPolarHBondContact SG-CG2 3.33Å
293	Y	94.2	Very high	87.9	Confident	119 Å²	119	62.7 Å²	62.7	47%	0.467	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-37.1	169.5	178.1	-111	0	0	0	112.2	P250 W251	P250-Y293 HydrophobicContact CB-CD1 3.77Å; P250-Y293 HydrophobicContact CB-CE1 4.39Å; P250-Y293 HydrophobicContact CB-CG 3.98Å; W251-Y293 PolarHBondContact O-N 3.33Å
294	K	90.6	Very high	88.4	Confident	75 Å²	75	60.9 Å²	60.9	33%	0.326	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162	172.5	-74.5	-63.2	-167.3	-175.3	0	110.3	W251 I252 C253 D296	W251-K294 PolarHBondContact O-N 3.23Å; I252-K294 WeakPolarHBondContact CA-O 3.43Å; I252-K294 HydrophobicContact CG1-CB 4.3Å; I252-K294 HydrophobicContact CG2-CB 4.49Å; C253-K294 PolarHBondContact N-O 3.1Å; K294-D296 IonicContact NZ-OD1 2.72Å; K294-D296 PolarHBondContact NZ-OD1 3.02Å; K294-D296 IonicContact NZ-OD2 3.43Å; K294-D296 PolarHBondContact NZ-OD2 3.23Å
295	P	90.6	Very high	88.2	Confident	38 Å²	38	56.5 Å²	56.5	25%	0.247	28%	0.284	C	S	.	.	S	Bend	cis	-63	161.1	-14.8	29.9	-36.8	0	0	0	111.7	H297 L298 K299	P295-H297 WeakPolarHBondContact CG-CE1 3.3Å; P295-H297 PolarHBondContact O-N 2.89Å; P295-L298 HydrophobicContact CG-CD1 4.15Å; P295-L298 HydrophobicContact CG-CG 4.15Å; P295-L298 PolarHBondContact O-N 3.17Å; P295-K299 PolarHBondContact O-N 2.88Å
296	D	88.5	Confident	87.3	Confident	99 Å²	99	53 Å²	53	53%	0.529	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	-169.1	-60.6	-79.5	0	0	0	114.3	K294 L298 K299	K294-D296 IonicContact NZ-OD1 2.72Å; K294-D296 PolarHBondContact NZ-OD1 3.02Å; K294-D296 IonicContact NZ-OD2 3.43Å; K294-D296 PolarHBondContact NZ-OD2 3.23Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.88Å; D296-K299 WeakPolarHBondContact O-CB 3.46Å; D296-K299 PolarHBondContact O-N 3.08Å
297	H	87.4	Confident	86	Confident	144 Å²	144	51.9 Å²	51.9	67%	0.667	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.3	176.3	65.2	-99.3	0	0	0	114.3	P295	P295-H297 WeakPolarHBondContact CG-CE1 3.3Å; P295-H297 PolarHBondContact O-N 2.89Å
298	L	90.9	Very high	84.5	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.2	170.7	-57.1	-176.4	0	0	0	112.6	C253 C292 P295 D296 G300 K301 V320 E324	C253-L298 HydrophobicContact CB-CD1 3.85Å; C292-L298 HydrophobicContact CB-CB 4.15Å; C292-L298 VanDerWaalsContact CB-O 3.28Å; C292-L298 WeakPolarHBondContact CB-O 3.46Å; P295-L298 HydrophobicContact CG-CD1 4.15Å; P295-L298 HydrophobicContact CG-CG 4.15Å; P295-L298 PolarHBondContact O-N 3.17Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.88Å; L298-G300 PolarHBondContact O-N 2.74Å; L298-K301 HydrophobicContact CD2-CD 4.09Å; L298-K301 VanDerWaalsContact O-CB 3.29Å; L298-K301 WeakPolarHBondContact O-CB 3.43Å; L298-K301 WeakPolarHBondContact O-CG 3.37Å; L298-K301 PolarHBondContact O-N 3.16Å; L298-V320 HydrophobicContact CD1-CG1 4.12Å; L298-E324 HydrophobicContact CD1-CB 4.14Å; L298-E324 HydrophobicContact CD2-CB 3.86Å; L298-E324 HydrophobicContact CD2-CG 4.13Å
299	K	91.3	Very high	82.6	Confident	111 Å²	111	58.8 Å²	58.8	48%	0.483	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	126.3	-173.2	-173.9	175.5	-179	-178.5	0	111.6	C292 P295 D296	C292-K299 CarbonylContact O-C 3.45Å; C292-K299 WeakPolarHBondContact O-CA 3.35Å; P295-K299 PolarHBondContact O-N 2.88Å; D296-K299 WeakPolarHBondContact O-CB 3.46Å; D296-K299 PolarHBondContact O-N 3.08Å
300	G	89.9	Confident	80.6	Confident	45 Å²	45	59.4 Å²	59.4	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-7.3	-176.7	0	0	0	0	0	115.7	C292 L298	C292-G300 PolarHBondContact O-N 2.78Å; L298-G300 PolarHBondContact O-N 2.74Å
301	K	91	Very high	78.3	Confident	35 Å²	35	65.4 Å²	65.4	15%	0.152	37%	0.366	C	S	.	.			trans	-71.1	146.9	172.4	-68.4	-163.5	-178	-160.7	0	112	L291 C292 L298 H317 V320 E324	L291-K301 CarbonylContact C-O 3.57Å; L291-K301 VanDerWaalsContact CA-O 3.31Å; L291-K301 WeakPolarHBondContact CA-O 3.41Å; C292-K301 PolarHBondContact N-O 2.95Å; L298-K301 HydrophobicContact CD2-CD 4.09Å; L298-K301 VanDerWaalsContact O-CB 3.29Å; L298-K301 WeakPolarHBondContact O-CB 3.43Å; L298-K301 WeakPolarHBondContact O-CG 3.37Å; L298-K301 PolarHBondContact O-N 3.16Å; K301-H317 WeakPolarHBondContact CE-O 3.28Å; K301-H317 PolarHBondContact NZ-O 2.84Å; K301-V320 HydrophobicContact CB-CG2 3.58Å; K301-V320 HydrophobicContact CD-CG2 4.23Å; K301-E324 IonicContact NZ-OE1 3.45Å; K301-E324 PolarHBondContact NZ-OE1 3.5Å; K301-E324 IonicContact NZ-OE2 2.7Å; K301-E324 PolarHBondContact NZ-OE2 3Å
302	R	90.5	Very high	76.2	Confident	50 Å²	50	64.3 Å²	64.3	19%	0.189	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-75.8	125	175.8	-63.7	175.1	-72.4	-159.9	0.8	111	E289 L291 D315 N318 V320	E289-R302 HydrophobicContact CG-CG 4.45Å; E289-R302 WeakPolarHBondContact OE1-CD 3.32Å; E289-R302 WeakPolarHBondContact OE1-CG 3.28Å; L291-R302 HydrophobicContact CD2-CB 4.3Å; L291-R302 HydrophobicContact CD2-CG 3.6Å; R302-D315 IonicContact CZ-OD1 2.66Å; R302-D315 IonicContact NH1-OD1 3.2Å; R302-D315 PolarHBondContact NH1-OD1 3.34Å; R302-D315 PolarHBondContact NH2-O 2.69Å; R302-D315 IonicContact NH2-OD1 2.72Å; R302-D315 PolarHBondContact NH2-OD1 2.88Å; R302-N318 WeakPolarHBondContact CB-O 3.45Å; R302-N318 PolarHBondContact N-O 3.48Å; R302-N318 PolarHBondContact NE-O 3.33Å; R302-V320 WeakPolarHBondContact O-CG2 3.17Å; R302-V320 PolarHBondContact O-N 2.7Å
303	I	90.6	Very high	74.2	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.015	39%	0.393	C	S	.	.	S	Bend	trans	-78.7	-47.3	179.9	-61.3	160.7	0	0	0	110.2	W251 C253 L257 P290	W251-I303 HydrophobicContact CB-CD1 3.52Å; W251-I303 HydrophobicContact CD2-CD1 4.43Å; W251-I303 HydrophobicContact CG-CD1 3.55Å; C253-I303 VanDerWaalsContact SG-CG1 3.54Å; L257-I303 HydrophobicContact CD2-CD1 3.9Å; L257-I303 HydrophobicContact CD2-CG1 4.37Å; L257-I303 HydrophobicContact CD2-CG2 3.97Å; P290-I303 HydrophobicContact CB-CB 4.48Å; P290-I303 HydrophobicContact CB-CD1 4.18Å; P290-I303 WeakPolarHBondContact O-CB 3.32Å; P290-I303 WeakPolarHBondContact O-CG1 3.29Å; P290-I303 PolarHBondContact O-N 3.16Å
304	L	86.5	Confident	72.2	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	40%	0.401	C	S	.	.	S	Bend	trans	-103.3	127.2	177.8	-54.1	-172.3	0	0	0	108.7	F264 F274 P290	F264-L304 HydrophobicContact CB-CD1 4.44Å; F264-L304 HydrophobicContact CB-CD2 3.61Å; F264-L304 HydrophobicContact CD1-CB 3.96Å; F264-L304 HydrophobicContact CD1-CD2 4.05Å; F264-L304 HydrophobicContact CD1-CG 4.43Å; F264-L304 HydrophobicContact CD2-CB 4.45Å; F264-L304 HydrophobicContact CD2-CD1 3.85Å; F264-L304 HydrophobicContact CD2-CD2 4.4Å; F264-L304 HydrophobicContact CD2-CG 4.46Å; F264-L304 HydrophobicContact CE1-CB 4.03Å; F264-L304 HydrophobicContact CE2-CD1 4.3Å; F264-L304 HydrophobicContact CG-CB 4.18Å; F264-L304 HydrophobicContact CG-CD1 4.05Å; F264-L304 HydrophobicContact CG-CD2 3.75Å; F264-L304 HydrophobicContact CG-CG 4.21Å; F264-L304 HydrophobicContact CZ-CB 4.32Å; F274-L304 HydrophobicContact CB-CD1 4.13Å; F274-L304 HydrophobicContact CD2-CB 3.91Å; F274-L304 HydrophobicContact CD2-CD1 4.43Å; F274-L304 HydrophobicContact CE2-CB 4.01Å; F274-L304 WeakPolarHBondContact CE2-O 3.2Å; F274-L304 HydrophobicContact CG-CB 4.3Å; F274-L304 HydrophobicContact CG-CD1 4.32Å; P290-L304 HydrophobicContact CG-CB 4.03Å; P290-L304 HydrophobicContact CG-CD1 3.82Å; P290-L304 HydrophobicContact CG-CG 3.71Å
305	S	74.5	Confident	70.7	Confident	33 Å²	33	67.5 Å²	67.5	23%	0.231	40%	0.4	C	S	.	.			trans	-152.8	132.7	177.5	-171.1	0	0	0	0	109.8	S307	S305-S307 PolarHBondContact O-N 3.36Å
306	S	59.5	Low	69.2	Low	45 Å²	45	71.2 Å²	71.2	32%	0.315	41%	0.414	S	S	.	.			trans	-76.9	109.1	171.5	47.7	0	0	0	0	109.9	L308 S309	S306-L308 PolarHBondContact O-N 2.9Å; S306-S309 PolarHBondContact O-N 3.31Å; S306-S309 PolarHBondContact O-OG 3.18Å; S306-S309 PolarHBondContact OG-OG 3.38Å
307	S	52.2	Low	68	Low	86 Å²	86	73.6 Å²	73.6	60%	0.601	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-57.9	-18.8	176	49.2	0	0	0	0	113.9	S305 S309 S310	S305-S307 PolarHBondContact O-N 3.36Å; S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.27Å; S307-S310 PolarHBondContact O-OG 2.88Å
308	L	50.1	Low	67.6	Low	167 Å²	167	71 Å²	71	87%	0.874	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-71.9	-12.6	176	-80.2	71.7	0	0	0	114.3	S306	S306-L308 PolarHBondContact O-N 2.9Å
309	S	47.5	Very low	67.3	Low	78 Å²	78	72 Å²	72	55%	0.545	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-103	-7.5	180	56.2	0	0	0	0	114.8	S306 S307 S311	S306-S309 PolarHBondContact O-N 3.31Å; S306-S309 PolarHBondContact O-OG 3.18Å; S306-S309 PolarHBondContact OG-OG 3.38Å; S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.27Å; S309-S311 PolarHBondContact O-N 2.9Å; S309-S311 VanDerWaalsContact O-N 3.11Å
310	S	46.3	Very low	67.1	Low	41 Å²	41	66.7 Å²	66.7	29%	0.287	40%	0.396	S	S	.	.			trans	-86.9	71.8	-177.4	60.5	0	0	0	0	112.8	S307 S312	S307-S310 PolarHBondContact O-OG 2.88Å; S310-S312 VanDerWaalsContact C-N 3.3Å
311	S	44.3	Very low	66.9	Low	129 Å²	129	68.3 Å²	68.3	90%	0.902	39%	0.391	S	S	*	.			trans	-85	-3.9	167	57.5	0	0	0	0	113.5	S309	S309-S311 PolarHBondContact O-N 2.9Å; S309-S311 VanDerWaalsContact O-N 3.11Å
312	S	49.7	Very low	66.5	Low	44 Å²	44	70.3 Å²	70.3	31%	0.308	40%	0.4	S	S	.	.	S	Bend	trans	-97.4	129	172.5	138.5	0	0	0	0	109.8	S310 N314 D315	S310-S312 VanDerWaalsContact C-N 3.3Å; S312-N314 PolarHBondContact O-N 2.86Å; S312-N314 PolarHBondContact OG-N 2.96Å; S312-D315 WeakPolarHBondContact CB-OD2 3.46Å; S312-D315 PolarHBondContact O-N 2.86Å; S312-D315 PolarHBondContact OG-N 2.79Å; S312-D315 PolarHBondContact OG-OD2 2.73Å
313	S	51.7	Low	65.9	Low	90 Å²	90	73.4 Å²	73.4	63%	0.629	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.4	174.6	51.8	0	0	0	0	112.9
314	N	53.7	Low	65.7	Low	119 Å²	119	75.8 Å²	75.8	64%	0.636	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.2	-173.1	-62.4	0.2	0	0	0	112.1	S312	S312-N314 PolarHBondContact O-N 2.86Å; S312-N314 PolarHBondContact OG-N 2.96Å
315	D	58	Low	65.5	Low	56 Å²	56	76.1 Å²	76.1	30%	0.299	44%	0.437	S	S	.	.	S	Bend	trans	-74.3	-25.6	-179	-82.6	-80.7	0	0	0	113.9	R302 S312 H317 N318	R302-D315 IonicContact CZ-OD1 2.66Å; R302-D315 IonicContact NH1-OD1 3.2Å; R302-D315 PolarHBondContact NH1-OD1 3.34Å; R302-D315 PolarHBondContact NH2-O 2.69Å; R302-D315 IonicContact NH2-OD1 2.72Å; R302-D315 PolarHBondContact NH2-OD1 2.88Å; S312-D315 WeakPolarHBondContact CB-OD2 3.46Å; S312-D315 PolarHBondContact O-N 2.86Å; S312-D315 PolarHBondContact OG-N 2.79Å; S312-D315 PolarHBondContact OG-OD2 2.73Å; D315-H317 VanDerWaalsContact C-N 3.34Å; D315-H317 PolarHBondContact O-N 3.31Å; D315-N318 PolarHBondContact O-N 3.11Å; D315-N318 VanDerWaalsContact O-N 3.15Å
316	Q	58.7	Low	65.5	Low	117 Å²	117	79.6 Å²	79.6	55%	0.547	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-66.3	-31.6	-174.5	-67.7	-171.2	-13.7	0	0	113.4	N318 V319	Q316-N318 VanDerWaalsContact C-N 3.29Å; Q316-N318 PolarHBondContact O-N 2.7Å; Q316-V319 PolarHBondContact O-N 3.18Å
317	H	64.3	Low	66.4	Low	148 Å²	148	77.9 Å²	77.9	69%	0.685	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-69	-27.7	175.3	-72.2	-62.5	0	0	0	113	K301 D315 V319	K301-H317 WeakPolarHBondContact CE-O 3.28Å; K301-H317 PolarHBondContact NZ-O 2.84Å; D315-H317 VanDerWaalsContact C-N 3.34Å; D315-H317 PolarHBondContact O-N 3.31Å; H317-V319 VanDerWaalsContact C-N 3.26Å; H317-V319 PolarHBondContact O-N 3.39Å
318	N	79	Confident	67.4	Low	91 Å²	91	78.5 Å²	78.5	49%	0.487	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-88.2	13.5	-178	-66	-13.7	0	0	0	113.1	R302 D315 Q316	R302-N318 WeakPolarHBondContact CB-O 3.45Å; R302-N318 PolarHBondContact N-O 3.48Å; R302-N318 PolarHBondContact NE-O 3.33Å; D315-N318 PolarHBondContact O-N 3.11Å; D315-N318 VanDerWaalsContact O-N 3.15Å; Q316-N318 VanDerWaalsContact C-N 3.29Å; Q316-N318 PolarHBondContact O-N 2.7Å
319	V	84.4	Confident	68.7	Low	21 Å²	21	72 Å²	72	13%	0.127	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-121	135.6	175.6	179.6	0	0	0	0	108.6	Q316 H317 Q321	Q316-V319 PolarHBondContact O-N 3.18Å; H317-V319 VanDerWaalsContact C-N 3.26Å; H317-V319 PolarHBondContact O-N 3.39Å; V319-Q321 PolarHBondContact O-N 3.47Å
320	V	87.3	Confident	70.3	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	39%	0.393	C	S	.	.			trans	-68.3	128.9	177.5	-174	0	0	0	0	109.8	K261 C292 L298 K301 R302 E324 L325	K261-V320 WeakPolarHBondContact CE-O 3.34Å; K261-V320 PolarHBondContact NZ-O 2.94Å; C292-V320 WeakPolarHBondContact SG-CG2 3.33Å; L298-V320 HydrophobicContact CD1-CG1 4.12Å; K301-V320 HydrophobicContact CB-CG2 3.58Å; K301-V320 HydrophobicContact CD-CG2 4.23Å; R302-V320 WeakPolarHBondContact O-CG2 3.17Å; R302-V320 PolarHBondContact O-N 2.7Å; V320-E324 WeakPolarHBondContact CA-OE2 3.26Å; V320-E324 HydrophobicContact CG1-CB 4.09Å; V320-L325 HydrophobicContact CG1-CD2 3.65Å; V320-L325 HydrophobicContact CG1-CG 3.86Å
321	Q	85	Confident	72.1	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.369	39%	0.386	S	S	.	.			trans	-85.2	157.7	175.2	-59.2	-54.9	-30	0	0	111.9	V319 T323 E324	V319-Q321 PolarHBondContact O-N 3.47Å; Q321-T323 PolarHBondContact O-N 3.2Å; Q321-E324 HydrophobicContact CB-CG 4.05Å; Q321-E324 PolarHBondContact N-OE2 3.07Å; Q321-E324 WeakPolarHBondContact O-CB 3.31Å; Q321-E324 PolarHBondContact O-N 3.44Å; Q321-E324 VanDerWaalsContact O-N 3.09Å
322	F	82.3	Confident	73.9	Confident	77 Å²	77	67.2 Å²	67.2	34%	0.338	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-65.7	-32.2	177.5	-78.3	-63.8	0	0	0	111.8	N258 K261 L262 I265 E324 L325	N258-F322 WeakPolarHBondContact OD1-CD1 3.16Å; N258-F322 WeakPolarHBondContact OD1-CE1 3.33Å; K261-F322 HydrophobicContact CB-CE1 3.93Å; K261-F322 HydrophobicContact CB-CZ 4.29Å; K261-F322 HydrophobicContact CD-CD1 3.97Å; K261-F322 HydrophobicContact CD-CE1 3.48Å; K261-F322 VanDerWaalsContact CD-CE1 3.48Å; K261-F322 HydrophobicContact CD-CE2 4.34Å; K261-F322 HydrophobicContact CD-CZ 3.7Å; K261-F322 VanDerWaalsContact CE-CZ 3.5Å; K261-F322 HydrophobicContact CG-CE1 3.7Å; K261-F322 HydrophobicContact CG-CZ 3.69Å; L262-F322 HydrophobicContact CD2-CE1 3.73Å; L262-F322 HydrophobicContact CD2-CE2 4.33Å; L262-F322 HydrophobicContact CD2-CZ 3.6Å; L262-F322 HydrophobicContact CG-CE1 3.76Å; L262-F322 HydrophobicContact CG-CZ 4.02Å; I265-F322 HydrophobicContact CD1-CE2 3.69Å; I265-F322 HydrophobicContact CD1-CZ 3.75Å; F322-E324 PolarHBondContact O-N 2.95Å; F322-L325 HydrophobicContact CD1-CD1 4.43Å; F322-L325 PolarHBondContact O-N 2.87Å
323	T	79.2	Confident	75.6	Confident	114 Å²	114	66 Å²	66	70%	0.699	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-77.7	19	170.7	58.8	0	0	0	0	113.9	Q321 H326	Q321-T323 PolarHBondContact O-N 3.2Å; T323-H326 PolarHBondContact O-CD2 2.84Å; T323-H326 PolarHBondContact O-NE2 3.3Å
324	E	84.7	Confident	77.2	Confident	53 Å²	53	68.2 Å²	68.2	25%	0.248	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-120	-20.7	171.2	-69.8	178.7	151.8	0	0	111.9	L298 K301 V320 Q321 F322 H326	L298-E324 HydrophobicContact CD1-CB 4.14Å; L298-E324 HydrophobicContact CD2-CB 3.86Å; L298-E324 HydrophobicContact CD2-CG 4.13Å; K301-E324 IonicContact NZ-OE1 3.45Å; K301-E324 PolarHBondContact NZ-OE1 3.5Å; K301-E324 IonicContact NZ-OE2 2.7Å; K301-E324 PolarHBondContact NZ-OE2 3Å; V320-E324 WeakPolarHBondContact CA-OE2 3.26Å; V320-E324 HydrophobicContact CG1-CB 4.09Å; Q321-E324 HydrophobicContact CB-CG 4.05Å; Q321-E324 PolarHBondContact N-OE2 3.07Å; Q321-E324 WeakPolarHBondContact O-CB 3.31Å; Q321-E324 PolarHBondContact O-N 3.44Å; Q321-E324 VanDerWaalsContact O-N 3.09Å; F322-E324 PolarHBondContact O-N 2.95Å; E324-H326 PolarHBondContact O-N 2.81Å
325	L	83.8	Confident	78.9	Confident	9 Å²	9	67.4 Å²	67.4	5%	0.047	35%	0.345	C	S	.	.			trans	-79.5	67.1	178.7	-66.3	178.2	0	0	0	111.1	C253 C255 N258 K261 V320 F322	C253-L325 HydrophobicContact CB-CD2 3.78Å; C255-L325 VanDerWaalsContact CA-O 3.23Å; C255-L325 WeakPolarHBondContact CA-O 3.38Å; C255-L325 PolarHBondContact N-O 2.89Å; N258-L325 HydrophobicContact CB-CD1 4.32Å; K261-L325 HydrophobicContact CD-CD1 4.08Å; V320-L325 HydrophobicContact CG1-CD2 3.65Å; V320-L325 HydrophobicContact CG1-CG 3.86Å; F322-L325 HydrophobicContact CD1-CD1 4.43Å; F322-L325 PolarHBondContact O-N 2.87Å
326	H	74.8	Confident	80.3	Confident	106 Å²	106	67.2 Å²	67.2	49%	0.491	34%	0.343	S	S	.	.			trans	-105.4	139.1	-179.9	-69.9	-67.2	0	0	0	112	T323 E324	T323-H326 PolarHBondContact O-CD2 2.84Å; T323-H326 PolarHBondContact O-NE2 3.3Å; E324-H326 PolarHBondContact O-N 2.81Å
327	C	76.9	Confident	81.8	Confident	9 Å²	9	67.1 Å²	67.1	6%	0.061	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-96.5	152.6	167.2	-71.9	0	0	0	0	110.5	C255 H353	C255-C327 HydrophobicContact CB-CB 3.84Å; C255-C327 WeakPolarHBondContact CB-SG 3.32Å; C255-C327 PolarHBondContact N-SG 3.34Å; C255-C327 WeakPolarHBondContact SG-CB 3.22Å; C255-C327 CovalentContact SG-SG 2.04Å; C255-C327 PolarHBondContact SG-SG 3.18Å; C327-H353 WeakPolarHBondContact CB-CD2 3.44Å; C327-H353 WeakPolarHBondContact CB-NE2 3.27Å
328	T	74	Confident	83	Confident	99 Å²	99	63.4 Å²	63.4	61%	0.607	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-77.3	141.5	165.2	50	0	0	0	0	110.6	Q330	T328-Q330 PolarHBondContact O-N 2.66Å; T328-Q330 PolarHBondContact O-NE2 2.82Å; T328-Q330 PolarHBondContact OG1-NE2 3.31Å
329	T	77.2	Confident	83.5	Confident	30 Å²	30	63 Å²	63	18%	0.184	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-58	129.8	169	43.1	0	0	0	0	110.3	H353 S354 Y411	T329-H353 WeakPolarHBondContact CA-O 3.47Å; T329-S354 WeakPolarHBondContact CG2-OG 3.31Å; T329-Y411 WeakPolarHBondContact O-CE2 3.22Å; T329-Y411 PolarHBondContact O-OH 2.68Å; T329-Y411 VanDerWaalsContact O-OH 3.14Å
330	Q	81	Confident	83.8	Confident	65 Å²	65	63 Å²	63	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	156.2	179.2	66.6	-162	-71.7	0	0	111.6	T328 F332 Y352 H353	T328-Q330 PolarHBondContact O-N 2.66Å; T328-Q330 PolarHBondContact O-NE2 2.82Å; T328-Q330 PolarHBondContact OG1-NE2 3.31Å; Q330-F332 VanDerWaalsContact CD-CE1 3.48Å; Q330-F332 HydrophobicContact CG-CD1 4.05Å; Q330-F332 HydrophobicContact CG-CE1 3.52Å; Q330-F332 HydrophobicContact CG-CZ 3.9Å; Q330-Y352 CarbonylContact O-C 3.52Å; Q330-Y352 VanDerWaalsContact O-CA 3.27Å; Q330-Y352 WeakPolarHBondContact O-CA 3.12Å; Q330-Y352 WeakPolarHBondContact O-CB 3.42Å; Q330-H353 PolarHBondContact N-O 2.69Å; Q330-H353 VanDerWaalsContact N-O 3.16Å; Q330-H353 PolarHBondContact O-N 3.2Å
331	I	83.5	Confident	83.8	Confident	24 Å²	24	66.1 Å²	66.1	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.4	166.8	-59.7	174.4	0	0	0	107.8	C350 E351 L407 Y411 T413	I331-C350 VanDerWaalsContact CG2-SG 3.59Å; I331-E351 WeakPolarHBondContact CG2-O 3.24Å; I331-L407 HydrophobicContact CD1-CB 3.93Å; I331-L407 HydrophobicContact CG1-CB 3.86Å; I331-L407 HydrophobicContact CG1-CD2 4.39Å; I331-Y411 WeakPolarHBondContact CD1-O 3.05Å; I331-T413 WeakPolarHBondContact CG2-OG1 3.29Å
332	F	82.3	Confident	83.9	Confident	59 Å²	59	64.2 Å²	64.2	26%	0.259	33%	0.33	S	S	.	.			trans	-94.2	-26.7	178.2	-57.3	-62.6	0	0	0	113	Q330 L334 E351 H353 N385	Q330-F332 VanDerWaalsContact CD-CE1 3.48Å; Q330-F332 HydrophobicContact CG-CD1 4.05Å; Q330-F332 HydrophobicContact CG-CE1 3.52Å; Q330-F332 HydrophobicContact CG-CZ 3.9Å; F332-L334 PolarHBondContact O-N 2.76Å; F332-E351 PolarHBondContact N-O 3.05Å; F332-H353 HydrophobicContact CE2-CB 3.63Å; F332-H353 HydrophobicContact CZ-CB 3.59Å; F332-N385 HydrophobicContact CE2-CB 4.25Å; F332-N385 WeakPolarHBondContact CE2-OD1 3.49Å
333	T	85.7	Confident	84.2	Confident	19 Å²	19	65 Å²	65	12%	0.117	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.6	177.9	-54.7	0	0	0	0	110.7	C350 E351 T413 F415	T333-C350 WeakPolarHBondContact OG1-CA 3.17Å; T333-E351 PolarHBondContact OG1-N 3.06Å; T333-T413 HydrophobicContact CG2-CG2 4.17Å; T333-T413 WeakPolarHBondContact O-CG2 3.45Å; T333-T413 PolarHBondContact O-OG1 2.95Å; T333-F415 HydrophobicContact CG2-CE1 3.73Å; T333-F415 HydrophobicContact CG2-CZ 3.78Å
334	L	86.1	Confident	84.6	Confident	137 Å²	137	63.4 Å²	63.4	72%	0.717	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-78.4	161.7	174.2	-62.9	175.1	0	0	0	111.2	F332 Q336 T413	F332-L334 PolarHBondContact O-N 2.76Å; L334-Q336 PolarHBondContact O-N 2.78Å; L334-T413 WeakPolarHBondContact O-CG2 3.42Å
335	N	89	Confident	84.8	Confident	101 Å²	101	64.9 Å²	64.9	54%	0.54	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-63.3	134.6	173.2	-64.1	-9.8	0	0	0	110.4	L414	N335-L414 WeakPolarHBondContact CA-O 3.33Å; N335-L414 HydrophobicContact CB-CB 4.42Å; N335-L414 PolarHBondContact OD1-N 3.06Å
336	Q	88.1	Confident	85.2	Confident	52 Å²	52	64.5 Å²	64.5	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.6	-172.1	-75.7	176.4	-31.3	0	0	112.3	L334 Y338 L414 F415 E416	L334-Q336 PolarHBondContact O-N 2.78Å; Q336-Y338 HydrophobicContact CB-CD2 4.25Å; Q336-Y338 HydrophobicContact CB-CE2 3.75Å; Q336-Y338 PolarHBondContact OE1-OH 3.47Å; Q336-L414 PolarHBondContact N-O 3.12Å; Q336-L414 VanDerWaalsContact N-O 3.15Å; Q336-F415 HydrophobicContact CB-CD1 4.3Å; Q336-F415 VanDerWaalsContact O-CA 3.27Å; Q336-F415 WeakPolarHBondContact O-CA 3.41Å; Q336-E416 PolarHBondContact O-N 2.8Å
337	N	89.2	Confident	86.1	Confident	115 Å²	115	63.6 Å²	63.6	62%	0.615	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	132.4	178.9	-70.1	38.7	0	0	0	109.4	E416	N337-E416 CarbonylContact C-O 3.23Å; N337-E416 WeakPolarHBondContact CA-O 3.2Å; N337-E416 HydrophobicContact CB-CB 4.44Å; N337-E416 PolarHBondContact ND2-OE2 3Å
338	Y	90.2	Very high	86.8	Confident	70 Å²	70	63.1 Å²	63.1	28%	0.275	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.6	-173.5	-78.4	-84.9	0	0	0	112.3	Q336 F340 L348 F415 E416 N418	Q336-Y338 HydrophobicContact CB-CD2 4.25Å; Q336-Y338 HydrophobicContact CB-CE2 3.75Å; Q336-Y338 PolarHBondContact OE1-OH 3.47Å; Y338-F340 HydrophobicContact CD1-CE2 4.11Å; Y338-F340 AromaticContact CD1-CZ 3.76Å; Y338-F340 HydrophobicContact CD1-CZ 3.76Å; Y338-F340 HydrophobicContact CE1-CZ 4.46Å; Y338-F340 HydrophobicContact CG-CE2 4.04Å; Y338-F340 HydrophobicContact CG-CZ 4.14Å; Y338-L348 HydrophobicContact CD2-CD2 3.79Å; Y338-L348 HydrophobicContact CE2-CD2 3.96Å; Y338-L348 HydrophobicContact CG-CD2 4.21Å; Y338-F415 HydrophobicContact CD2-CD1 4.44Å; Y338-F415 HydrophobicContact CE2-CD1 4.03Å; Y338-E416 PolarHBondContact N-O 2.87Å; Y338-N418 PolarHBondContact O-N 3.15Å
339	T	89.3	Confident	87.7	Confident	82 Å²	82	62.8 Å²	62.8	50%	0.503	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124	172.1	52.3	0	0	0	0	109.9	N418	T339-N418 WeakPolarHBondContact CA-O 3.38Å; T339-N418 HydrophobicContact CG2-CB 4.33Å
340	F	89.7	Confident	88.4	Confident	21 Å²	21	61.3 Å²	61.3	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.5	176.4	-60.9	-82.1	0	0	0	110.3	Y338 M346 L348 V417 N418 I419 I420	Y338-F340 HydrophobicContact CD1-CE2 4.11Å; Y338-F340 AromaticContact CD1-CZ 3.76Å; Y338-F340 HydrophobicContact CD1-CZ 3.76Å; Y338-F340 HydrophobicContact CE1-CZ 4.46Å; Y338-F340 HydrophobicContact CG-CE2 4.04Å; Y338-F340 HydrophobicContact CG-CZ 4.14Å; F340-M346 HydrophobicContact CD1-CB 4.29Å; F340-M346 HydrophobicContact CD2-CB 4.08Å; F340-M346 HydrophobicContact CD2-CG 3.86Å; F340-M346 HydrophobicContact CD2-SD 3.65Å; F340-M346 HydrophobicContact CE1-CB 4.32Å; F340-M346 HydrophobicContact CE1-CG 4.25Å; F340-M346 HydrophobicContact CE2-CB 4.1Å; F340-M346 HydrophobicContact CE2-CG 3.45Å; F340-M346 VanDerWaalsContact CE2-CG 3.45Å; F340-M346 HydrophobicContact CE2-SD 3.41Å; F340-M346 WeakPolarHBondContact CE2-SD 3.46Å; F340-M346 HydrophobicContact CG-CB 4.17Å; F340-M346 HydrophobicContact CG-CG 4.42Å; F340-M346 HydrophobicContact CZ-CB 4.23Å; F340-M346 HydrophobicContact CZ-CG 3.68Å; F340-M346 HydrophobicContact CZ-SD 4.25Å; F340-L348 HydrophobicContact CE2-CD2 4.32Å; F340-L348 HydrophobicContact CZ-CD2 4.44Å; F340-V417 HydrophobicContact CD2-CG1 4.17Å; F340-N418 PolarHBondContact N-O 2.62Å; F340-I419 HydrophobicContact CB-CD1 3.91Å; F340-I419 HydrophobicContact CD2-CD1 4.36Å; F340-I419 CarbonylContact O-C 3.27Å; F340-I419 VanDerWaalsContact O-CA 3.31Å; F340-I419 WeakPolarHBondContact O-CA 3.16Å; F340-I420 WeakPolarHBondContact O-CG1 3.32Å; F340-I420 PolarHBondContact O-N 2.98Å
341	Y	87.8	Confident	88.8	Confident	67 Å²	67	61 Å²	61	26%	0.263	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.9	171.7	-69.2	-92.4	0	0	0	111.1	K344 T395 I420 V653 T654	Y341-K344 WeakPolarHBondContact O-CB 3.3Å; Y341-K344 PolarHBondContact O-N 2.84Å; Y341-T395 PolarHBondContact O-OG1 3.36Å; Y341-I420 CarbonylContact C-O 3.23Å; Y341-I420 WeakPolarHBondContact CA-O 3.47Å; Y341-I420 HydrophobicContact CD1-CD1 3.92Å; Y341-I420 HydrophobicContact CD1-CG1 3.86Å; Y341-I420 HydrophobicContact CE1-CD1 3.62Å; Y341-I420 HydrophobicContact CE1-CG1 4.1Å; Y341-I420 HydrophobicContact CE2-CD1 4.27Å; Y341-I420 HydrophobicContact CG-CD1 4.38Å; Y341-I420 HydrophobicContact CG-CG1 4.17Å; Y341-V653 WeakPolarHBondContact CD2-O 3.49Å; Y341-T654 HydrophobicContact CE2-CG2 4.06Å
342	N	87.9	Confident	89	Confident	39 Å²	39	59.9 Å²	59.9	21%	0.209	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	146.7	172.7	-165.1	33.5	0	0	0	111.3	K344 T395 I419 I420 L427	N342-K344 PolarHBondContact O-N 3.3Å; N342-T395 PolarHBondContact OD1-O 3.35Å; N342-T395 VanDerWaalsContact OD1-O 3.1Å; N342-I419 HydrophobicContact CB-CG2 4.19Å; N342-I420 PolarHBondContact N-O 2.79Å; N342-L427 HydrophobicContact CB-CD1 3.7Å; N342-L427 VanDerWaalsContact CG-CD1 3.41Å
343	N	87	Confident	88.9	Confident	94 Å²	94	57.6 Å²	57.6	50%	0.503	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-174.7	-60.3	-30.7	0	0	0	114.1	M394 T395	N343-M394 HydrophobicContact CB-CG 4.07Å; N343-M394 HydrophobicContact CB-SD 4.4Å; N343-T395 PolarHBondContact N-O 2.73Å; N343-T395 PolarHBondContact N-OG1 3.28Å
344	K	88.2	Confident	88.6	Confident	81 Å²	81	56.9 Å²	56.9	35%	0.352	29%	0.285	S	S	.	.	S	Bend	trans	-115.6	163.5	168.5	-63.6	-58.7	-177.9	-173.5	0	110.5	Y341 N342 T395 V653	Y341-K344 WeakPolarHBondContact O-CB 3.3Å; Y341-K344 PolarHBondContact O-N 2.84Å; N342-K344 PolarHBondContact O-N 3.3Å; K344-T395 PolarHBondContact N-OG1 2.84Å; K344-T395 VanDerWaalsContact N-OG1 3.09Å; K344-T395 WeakPolarHBondContact O-CG2 3.21Å; K344-T395 PolarHBondContact O-N 3Å; K344-T395 PolarHBondContact O-OG1 3.32Å; K344-V653 HydrophobicContact CD-CG1 4.35Å; K344-V653 HydrophobicContact CG-CG1 4.47Å
345	T	89.3	Confident	87.8	Confident	83 Å²	83	55.1 Å²	55.1	51%	0.509	28%	0.276	S	S	.	.			trans	-80.2	124.6	171.9	-53.7	0	0	0	0	109.6	I391 V392 T393	T345-I391 HydrophobicContact CG2-CG2 3.69Å; T345-V392 CarbonylContact C-O 3.54Å; T345-V392 VanDerWaalsContact CA-O 3.26Å; T345-V392 WeakPolarHBondContact CA-O 3.49Å; T345-V392 WeakPolarHBondContact CG2-O 3.08Å; T345-T393 WeakPolarHBondContact CA-O 3.27Å; T345-T393 PolarHBondContact OG1-O 3.25Å
346	M	91.9	Very high	86.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.7	169.8	162.3	170	74.8	0	0	109.5	F340 L348 I391 V392 T395 W403 V417	F340-M346 HydrophobicContact CD1-CB 4.29Å; F340-M346 HydrophobicContact CD2-CB 4.08Å; F340-M346 HydrophobicContact CD2-CG 3.86Å; F340-M346 HydrophobicContact CD2-SD 3.65Å; F340-M346 HydrophobicContact CE1-CB 4.32Å; F340-M346 HydrophobicContact CE1-CG 4.25Å; F340-M346 HydrophobicContact CE2-CB 4.1Å; F340-M346 HydrophobicContact CE2-CG 3.45Å; F340-M346 VanDerWaalsContact CE2-CG 3.45Å; F340-M346 HydrophobicContact CE2-SD 3.41Å; F340-M346 WeakPolarHBondContact CE2-SD 3.46Å; F340-M346 HydrophobicContact CG-CB 4.17Å; F340-M346 HydrophobicContact CG-CG 4.42Å; F340-M346 HydrophobicContact CZ-CB 4.23Å; F340-M346 HydrophobicContact CZ-CG 3.68Å; F340-M346 HydrophobicContact CZ-SD 4.25Å; M346-L348 HydrophobicContact CE-CD1 4.46Å; M346-L348 HydrophobicContact CG-CD2 4.44Å; M346-L348 HydrophobicContact CG-CG 4.14Å; M346-L348 HydrophobicContact SD-CD1 4.17Å; M346-L348 HydrophobicContact SD-CD2 4.27Å; M346-L348 HydrophobicContact SD-CG 4.04Å; M346-I391 CarbonylContact O-C 3.57Å; M346-I391 WeakPolarHBondContact O-CA 3.5Å; M346-V392 HydrophobicContact CB-CB 4.27Å; M346-V392 HydrophobicContact CE-CB 4.05Å; M346-V392 HydrophobicContact CE-CG2 3.48Å; M346-V392 VanDerWaalsContact CE-CG2 3.48Å; M346-V392 PolarHBondContact N-O 2.92Å; M346-V392 PolarHBondContact O-N 3.3Å; M346-T395 HydrophobicContact CB-CG2 3.6Å; M346-W403 HydrophobicContact CE-CD2 4.49Å; M346-W403 HydrophobicContact CE-CH2 4.35Å; M346-W403 HydrophobicContact CE-CZ2 3.73Å; M346-V417 HydrophobicContact CE-CG1 4.41Å; M346-V417 HydrophobicContact SD-CG1 3.67Å; M346-V417 HydrophobicContact SD-CG2 4.02Å
347	L	92.8	Very high	86.1	Confident	87 Å²	87	59.3 Å²	59.3	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.6	170.1	168.4	61.9	0	0	0	109	N389 L390 I391	L347-N389 HydrophobicContact CD1-CB 3.76Å; L347-L390 WeakPolarHBondContact CA-O 2.99Å; L347-I391 HydrophobicContact CD1-CG1 3.86Å
348	L	93.4	Very high	85.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.9	166.7	-59.3	179.8	0	0	0	108.7	Y338 F340 M346 W362 N389 L390 W403 F415 V417	Y338-L348 HydrophobicContact CD2-CD2 3.79Å; Y338-L348 HydrophobicContact CE2-CD2 3.96Å; Y338-L348 HydrophobicContact CG-CD2 4.21Å; F340-L348 HydrophobicContact CE2-CD2 4.32Å; F340-L348 HydrophobicContact CZ-CD2 4.44Å; M346-L348 HydrophobicContact CE-CD1 4.46Å; M346-L348 HydrophobicContact CG-CD2 4.44Å; M346-L348 HydrophobicContact CG-CG 4.14Å; M346-L348 HydrophobicContact SD-CD1 4.17Å; M346-L348 HydrophobicContact SD-CD2 4.27Å; M346-L348 HydrophobicContact SD-CG 4.04Å; L348-W362 HydrophobicContact CB-CH2 3.67Å; L348-W362 HydrophobicContact CB-CZ3 3.89Å; L348-W362 HydrophobicContact CD1-CZ3 4.16Å; L348-N389 CarbonylContact O-C 3.41Å; L348-N389 WeakPolarHBondContact O-CA 3.06Å; L348-L390 HydrophobicContact CB-CB 4.48Å; L348-L390 HydrophobicContact CD1-CD2 4.4Å; L348-L390 PolarHBondContact N-O 3.11Å; L348-L390 PolarHBondContact O-N 3.15Å; L348-W403 HydrophobicContact CD1-CB 3.85Å; L348-W403 HydrophobicContact CD1-CD2 4.46Å; L348-W403 HydrophobicContact CD1-CG 4.01Å; L348-F415 HydrophobicContact CD1-CB 4.14Å; L348-F415 HydrophobicContact CD1-CD2 4.42Å; L348-F415 HydrophobicContact CD1-CG 4.32Å; L348-F415 HydrophobicContact CD2-CB 4.5Å; L348-V417 HydrophobicContact CD1-CG2 4.1Å; L348-V417 HydrophobicContact CD2-CG2 4.39Å
349	R	92.1	Very high	84.2	Confident	91 Å²	91	58.5 Å²	58.5	34%	0.343	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126	-178.2	172.5	166.3	170.7	157.4	-4.7	110.1	E351 N389	R349-E351 HydrophobicContact CG-CG 4.14Å; R349-E351 IonicContact CZ-OE1 2.75Å; R349-E351 IonicContact NE-OE1 2.77Å; R349-E351 PolarHBondContact NE-OE1 3.23Å; R349-E351 IonicContact NH2-OE1 3.47Å; R349-E351 PolarHBondContact NH2-OE1 2.66Å; R349-N389 WeakPolarHBondContact CB-OD1 3.29Å; R349-N389 WeakPolarHBondContact CD-OD1 3.37Å; R349-N389 VanDerWaalsContact CG-OD1 3.25Å; R349-N389 WeakPolarHBondContact CG-OD1 3.01Å
350	C	91.7	Very high	84.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.6	178.1	-171.9	0	0	0	0	110.1	I331 T333 L360 W362 Y387 S388 C405 F415	I331-C350 VanDerWaalsContact CG2-SG 3.59Å; T333-C350 WeakPolarHBondContact OG1-CA 3.17Å; C350-L360 HydrophobicContact CB-CD1 4.23Å; C350-W362 HydrophobicContact CB-CH2 3.83Å; C350-W362 HydrophobicContact CB-CZ2 3.65Å; C350-Y387 CarbonylContact O-C 3.52Å; C350-Y387 WeakPolarHBondContact O-CA 3.22Å; C350-S388 PolarHBondContact N-O 3.43Å; C350-S388 PolarHBondContact O-N 3.07Å; C350-C405 HydrophobicContact CB-CB 3.54Å; C350-C405 WeakPolarHBondContact CB-SG 3.34Å; C350-C405 WeakPolarHBondContact SG-CB 3.47Å; C350-C405 CovalentContact SG-SG 2.03Å; C350-C405 PolarHBondContact SG-SG 3.34Å; C350-F415 HydrophobicContact CB-CE2 4.48Å; C350-F415 HydrophobicContact CB-CZ 4.25Å
351	E	89.4	Confident	84.3	Confident	58 Å²	58	56.4 Å²	56.4	27%	0.271	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.9	-175.7	-54.6	-165.6	149	0	0	110.5	I331 F332 T333 R349	I331-E351 WeakPolarHBondContact CG2-O 3.24Å; F332-E351 PolarHBondContact N-O 3.05Å; T333-E351 PolarHBondContact OG1-N 3.06Å; R349-E351 HydrophobicContact CG-CG 4.14Å; R349-E351 IonicContact CZ-OE1 2.75Å; R349-E351 IonicContact NE-OE1 2.77Å; R349-E351 PolarHBondContact NE-OE1 3.23Å; R349-E351 IonicContact NH2-OE1 3.47Å; R349-E351 PolarHBondContact NH2-OE1 2.66Å
352	Y	87.6	Confident	84.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165	-172.9	66.3	-78.5	0	0	0	111.8	Q330 D358 L360 Y386 L407	Q330-Y352 CarbonylContact O-C 3.52Å; Q330-Y352 VanDerWaalsContact O-CA 3.27Å; Q330-Y352 WeakPolarHBondContact O-CA 3.12Å; Q330-Y352 WeakPolarHBondContact O-CB 3.42Å; Y352-D358 PolarHBondContact OH-O 3.4Å; Y352-D358 VanDerWaalsContact OH-O 3.07Å; Y352-L360 HydrophobicContact CD1-CB 4.26Å; Y352-L360 HydrophobicContact CD1-CD1 3.42Å; Y352-L360 VanDerWaalsContact CD1-CD1 3.42Å; Y352-L360 HydrophobicContact CD1-CG 4.48Å; Y352-L360 HydrophobicContact CE1-CB 3.81Å; Y352-L360 HydrophobicContact CE1-CD1 3.81Å; Y352-L360 HydrophobicContact CE1-CG 4.44Å; Y352-L360 HydrophobicContact CE2-CB 4.48Å; Y352-L360 HydrophobicContact CG-CD1 3.93Å; Y352-Y386 WeakPolarHBondContact CD1-O 3.36Å; Y352-Y386 HydrophobicContact CE2-CD2 4.24Å; Y352-Y386 HydrophobicContact CE2-CG 4.27Å; Y352-Y386 PolarHBondContact N-O 2.77Å; Y352-Y386 PolarHBondContact O-N 3.41Å; Y352-L407 HydrophobicContact CD2-CD1 3.62Å; Y352-L407 HydrophobicContact CD2-CD2 3.92Å; Y352-L407 HydrophobicContact CD2-CG 4.38Å; Y352-L407 HydrophobicContact CE2-CD1 3.81Å; Y352-L407 HydrophobicContact CG-CD1 4.42Å; Y352-L407 HydrophobicContact CG-CD2 4.41Å
353	H	81.2	Confident	84.8	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.5	166.7	-179.9	78.2	0	0	0	110.4	C255 C327 T329 Q330 F332 S384	C255-H353 PolarHBondContact SG-CE1 3.03Å; C327-H353 WeakPolarHBondContact CB-CD2 3.44Å; C327-H353 WeakPolarHBondContact CB-NE2 3.27Å; T329-H353 WeakPolarHBondContact CA-O 3.47Å; Q330-H353 PolarHBondContact N-O 2.69Å; Q330-H353 VanDerWaalsContact N-O 3.16Å; Q330-H353 PolarHBondContact O-N 3.2Å; F332-H353 HydrophobicContact CE2-CB 3.63Å; F332-H353 HydrophobicContact CZ-CB 3.59Å; H353-S384 PolarHBondContact CE1-O 3.1Å; H353-S384 PolarHBondContact ND1-O 3.47Å
354	S	78.4	Confident	85	Confident	5 Å²	5	51 Å²	51	4%	0.035	24%	0.244	C	C	.	.			trans	-149	160	163	-179.2	0	0	0	0	110.3	T329 K356 D358	T329-S354 WeakPolarHBondContact CG2-OG 3.31Å; S354-K356 VanDerWaalsContact CB-O 3.25Å; S354-K356 WeakPolarHBondContact CB-O 3.34Å; S354-K356 PolarHBondContact O-N 2.88Å; S354-K356 PolarHBondContact OG-O 3.11Å; S354-D358 WeakPolarHBondContact CB-OD2 3.41Å; S354-D358 PolarHBondContact OG-OD2 2.81Å
355	N	69.3	Low	84.9	Confident	100 Å²	100	51.2 Å²	51.2	54%	0.535	25%	0.249	S	C	.	.	S	Bend	trans	-67.5	-11	176.3	-66.8	-61.7	0	0	0	113.2
356	K	71.4	Confident	84.7	Confident	155 Å²	155	52.5 Å²	52.5	67%	0.674	25%	0.253	S	S	*	.	S	Bend	trans	-139.3	167	171.1	-68	-170.7	177.1	-172.8	0	109	S354 D358 Y386	S354-K356 VanDerWaalsContact CB-O 3.25Å; S354-K356 WeakPolarHBondContact CB-O 3.34Å; S354-K356 PolarHBondContact O-N 2.88Å; S354-K356 PolarHBondContact OG-O 3.11Å; K356-D358 PolarHBondContact O-N 3.4Å; K356-Y386 WeakPolarHBondContact O-CE2 3.43Å
357	M	69.4	Low	84.6	Confident	85 Å²	85	59.6 Å²	59.6	42%	0.419	29%	0.286	S	S	.	.			trans	-73.7	69.4	169.6	-168.3	178.4	-176.6	0	0	110.4	H359 Y379 Y386	M357-H359 PolarHBondContact O-N 3.29Å; M357-Y379 HydrophobicContact CE-CG 4.3Å; M357-Y386 HydrophobicContact CB-CD1 4.39Å; M357-Y386 HydrophobicContact CB-CE1 3.88Å; M357-Y386 HydrophobicContact CB-CE2 4.44Å; M357-Y386 HydrophobicContact CG-CD1 4.05Å; M357-Y386 HydrophobicContact CG-CE1 3.96Å; M357-Y386 HydrophobicContact SD-CE1 4.46Å
358	D	69.1	Low	84.4	Confident	42 Å²	42	59.4 Å²	59.4	23%	0.225	29%	0.285	C	S	.	.			trans	-66.3	128.2	174.6	-63.3	-28.7	0	0	0	109.4	Y352 S354 K356 L360 L407 N408	Y352-D358 PolarHBondContact OH-O 3.4Å; Y352-D358 VanDerWaalsContact OH-O 3.07Å; S354-D358 WeakPolarHBondContact CB-OD2 3.41Å; S354-D358 PolarHBondContact OG-OD2 2.81Å; K356-D358 PolarHBondContact O-N 3.4Å; D358-L360 PolarHBondContact O-N 3.17Å; D358-L407 HydrophobicContact CB-CD1 4.06Å; D358-N408 WeakPolarHBondContact CB-OD1 3.02Å; D358-N408 PolarHBondContact OD2-ND2 3.18Å; D358-N408 PolarHBondContact OD2-OD1 3.16Å
359	H	72.1	Confident	84.3	Confident	127 Å²	127	60.4 Å²	60.4	59%	0.588	29%	0.291	S	S	*	.			trans	-68.2	95.8	-179.2	-63.7	-58.3	0	0	0	111.5	M357 L361	M357-H359 PolarHBondContact O-N 3.29Å; H359-L361 PolarHBondContact O-N 3.23Å
360	L	88.8	Confident	84	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.2	123.8	170.6	175.1	154.6	0	0	0	110.4	C350 Y352 D358 Y379 C405	C350-L360 HydrophobicContact CB-CD1 4.23Å; Y352-L360 HydrophobicContact CD1-CB 4.26Å; Y352-L360 HydrophobicContact CD1-CD1 3.42Å; Y352-L360 VanDerWaalsContact CD1-CD1 3.42Å; Y352-L360 HydrophobicContact CD1-CG 4.48Å; Y352-L360 HydrophobicContact CE1-CB 3.81Å; Y352-L360 HydrophobicContact CE1-CD1 3.81Å; Y352-L360 HydrophobicContact CE1-CG 4.44Å; Y352-L360 HydrophobicContact CE2-CB 4.48Å; Y352-L360 HydrophobicContact CG-CD1 3.93Å; D358-L360 PolarHBondContact O-N 3.17Å; L360-Y379 WeakPolarHBondContact O-CE1 3.42Å; L360-Y379 PolarHBondContact O-OH 3.48Å; L360-C405 HydrophobicContact CD1-CB 4.07Å; L360-C405 HydrophobicContact CD2-CB 3.48Å; L360-C405 VanDerWaalsContact CD2-CB 3.48Å; L360-C405 HydrophobicContact CG-CB 4.08Å
361	L	92.1	Very high	83.6	Confident	59 Å²	59	68.2 Å²	68.2	31%	0.309	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.9	-173.6	-60.5	-177.8	0	0	0	111	H359 Y363 L368 C405 V406	H359-L361 PolarHBondContact O-N 3.23Å; L361-Y363 HydrophobicContact CB-CD2 4.43Å; L361-Y363 HydrophobicContact CB-CE2 3.79Å; L361-L368 HydrophobicContact CB-CD1 3.92Å; L361-L368 HydrophobicContact CD1-CD1 4.14Å; L361-L368 HydrophobicContact CD2-CD1 4.36Å; L361-L368 HydrophobicContact CG-CD1 4.37Å; L361-C405 CarbonylContact O-C 3.58Å; L361-C405 WeakPolarHBondContact O-CA 3.14Å; L361-V406 PolarHBondContact N-O 2.83Å; L361-V406 PolarHBondContact O-N 3.2Å
362	W	93.3	Very high	83.5	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139	173.8	-74.4	89.8	0	0	0	111.1	L348 C350 V369 I377 S388 L390 S404 C405 F415	L348-W362 HydrophobicContact CB-CH2 3.67Å; L348-W362 HydrophobicContact CB-CZ3 3.89Å; L348-W362 HydrophobicContact CD1-CZ3 4.16Å; C350-W362 HydrophobicContact CB-CH2 3.83Å; C350-W362 HydrophobicContact CB-CZ2 3.65Å; W362-V369 HydrophobicContact CB-CB 4.04Å; W362-V369 HydrophobicContact CB-CG2 4.31Å; W362-V369 PolarHBondContact O-N 2.96Å; W362-I377 HydrophobicContact CB-CD1 4.18Å; W362-I377 HydrophobicContact CG-CD1 4.39Å; W362-S388 PolarHBondContact NE1-OG 3.37Å; W362-L390 HydrophobicContact CD2-CB 3.75Å; W362-L390 HydrophobicContact CD2-CD2 3.94Å; W362-L390 HydrophobicContact CD2-CG 4.44Å; W362-L390 HydrophobicContact CE3-CB 4.05Å; W362-L390 HydrophobicContact CE3-CD2 3.64Å; W362-L390 HydrophobicContact CG-CB 4.25Å; W362-L390 HydrophobicContact CG-CD2 4.35Å; W362-L390 HydrophobicContact CH2-CB 4.16Å; W362-L390 HydrophobicContact CZ2-CB 3.87Å; W362-L390 HydrophobicContact CZ3-CB 4.24Å; W362-L390 HydrophobicContact CZ3-CD2 4.12Å; W362-S404 WeakPolarHBondContact CA-O 3.09Å; W362-C405 HydrophobicContact CD2-CB 4.3Å; W362-C405 HydrophobicContact CE3-CB 4.26Å; W362-C405 HydrophobicContact CH2-CB 4.29Å; W362-C405 HydrophobicContact CZ2-CB 4.3Å; W362-C405 HydrophobicContact CZ3-CB 4.27Å; W362-F415 HydrophobicContact CH2-CD2 4.26Å; W362-F415 AromaticContact CH2-CE2 3.61Å; W362-F415 HydrophobicContact CH2-CE2 3.61Å; W362-F415 HydrophobicContact CH2-CZ 4.15Å; W362-F415 AromaticContact CZ3-CD2 3.74Å; W362-F415 HydrophobicContact CZ3-CD2 3.74Å; W362-F415 AromaticContact CZ3-CE2 3.49Å; W362-F415 HydrophobicContact CZ3-CE2 3.49Å; W362-F415 VanDerWaalsContact CZ3-CE2 3.49Å; W362-F415 HydrophobicContact CZ3-CZ 4.43Å
363	Y	93	Very high	83.2	Confident	45 Å²	45	75.3 Å²	75.3	18%	0.176	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.8	176.7	-70.7	-98.9	0	0	0	110.4	L361 Q367 L368 W403 S404 V406	L361-Y363 HydrophobicContact CB-CD2 4.43Å; L361-Y363 HydrophobicContact CB-CE2 3.79Å; Y363-Q367 CarbonylContact C-O 3.31Å; Y363-Q367 WeakPolarHBondContact CA-O 3.32Å; Y363-L368 HydrophobicContact CD1-CB 4.34Å; Y363-L368 HydrophobicContact CD2-CD1 4.47Å; Y363-L368 HydrophobicContact CE1-CB 4.02Å; Y363-L368 HydrophobicContact CE1-CD1 4.11Å; Y363-L368 HydrophobicContact CE2-CD1 3.98Å; Y363-W403 CarbonylContact O-C 3.53Å; Y363-W403 WeakPolarHBondContact O-CA 3.39Å; Y363-S404 PolarHBondContact N-O 3.18Å; Y363-S404 PolarHBondContact O-N 2.04Å; Y363-V406 HydrophobicContact CD2-CB 4.15Å; Y363-V406 HydrophobicContact CD2-CG2 3.62Å; Y363-V406 HydrophobicContact CE2-CB 3.93Å; Y363-V406 HydrophobicContact CE2-CG2 3.77Å
364	K	91.5	Very high	83.4	Confident	38 Å²	38	76.6 Å²	76.6	17%	0.165	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.1	172.5	-176.6	-171.2	-171.8	176.2	0	107.4	D366 Q367 V369 K398 D399 W403	K364-D366 PolarHBondContact O-N 2.85Å; K364-Q367 PolarHBondContact N-O 3.32Å; K364-Q367 WeakPolarHBondContact O-CB 3.34Å; K364-Q367 PolarHBondContact O-N 3.29Å; K364-V369 HydrophobicContact CB-CG2 3.81Å; K364-K398 VanDerWaalsContact CE-O 3.26Å; K364-K398 WeakPolarHBondContact CE-O 3.09Å; K364-K398 PolarHBondContact NZ-O 3.31Å; K364-D399 IonicContact NZ-OD1 2.77Å; K364-D399 PolarHBondContact NZ-OD1 2.94Å; K364-W403 HydrophobicContact CB-CD2 4.14Å; K364-W403 HydrophobicContact CB-CE3 3.76Å; K364-W403 HydrophobicContact CB-CH2 4.34Å; K364-W403 HydrophobicContact CB-CZ3 3.86Å; K364-W403 HydrophobicContact CD-CD2 4.45Å; K364-W403 HydrophobicContact CD-CE3 4.36Å; K364-W403 HydrophobicContact CD-CH2 3.52Å; K364-W403 HydrophobicContact CD-CZ2 3.57Å; K364-W403 HydrophobicContact CD-CZ3 3.91Å; K364-W403 VanDerWaalsContact CE-CZ2 3.42Å; K364-W403 HydrophobicContact CG-CD2 3.96Å; K364-W403 HydrophobicContact CG-CE3 4.02Å; K364-W403 HydrophobicContact CG-CH2 4.07Å; K364-W403 HydrophobicContact CG-CZ2 3.97Å; K364-W403 HydrophobicContact CG-CZ3 4.06Å
365	D	86.4	Confident	84	Confident	87 Å²	87	78.1 Å²	78.1	47%	0.465	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	46.8	-176.8	-51.4	-54.7	0	0	0	112.4	Q367 L402	D365-Q367 PolarHBondContact O-N 3.12Å; D365-Q367 VanDerWaalsContact O-N 3.16Å; D365-L402 PolarHBondContact N-O 3.13Å; D365-L402 PolarHBondContact OD1-N 2.91Å
366	D	84.1	Confident	84.9	Confident	109 Å²	109	76.8 Å²	76.8	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	8.7	-173.7	-77.9	-44	0	0	0	117.3	K364 R412	K364-D366 PolarHBondContact O-N 2.85Å; D366-R412 IonicContact OD1-CZ 3.53Å; D366-R412 IonicContact OD1-NH1 3.29Å; D366-R412 PolarHBondContact OD1-NH1 3.34Å; D366-R412 IonicContact OD1-NH2 3.79Å; D366-R412 PolarHBondContact OD1-NH2 3.45Å
367	Q	89.2	Confident	85.9	Confident	150 Å²	150	70.4 Å²	70.4	70%	0.701	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.8	168	-55	-170.5	18.8	0	0	111.3	Y363 K364 D365 V369	Y363-Q367 CarbonylContact C-O 3.31Å; Y363-Q367 WeakPolarHBondContact CA-O 3.32Å; K364-Q367 PolarHBondContact N-O 3.32Å; K364-Q367 WeakPolarHBondContact O-CB 3.34Å; K364-Q367 PolarHBondContact O-N 3.29Å; D365-Q367 PolarHBondContact O-N 3.12Å; D365-Q367 VanDerWaalsContact O-N 3.16Å; Q367-V369 PolarHBondContact O-N 2.7Å
368	L	90.2	Very high	86.8	Confident	84 Å²	84	70.3 Å²	70.3	44%	0.44	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123	179.8	-178.4	71.9	0	0	0	110.8	L361 Y363	L361-L368 HydrophobicContact CB-CD1 3.92Å; L361-L368 HydrophobicContact CD1-CD1 4.14Å; L361-L368 HydrophobicContact CD2-CD1 4.36Å; L361-L368 HydrophobicContact CG-CD1 4.37Å; Y363-L368 HydrophobicContact CD1-CB 4.34Å; Y363-L368 HydrophobicContact CD2-CD1 4.47Å; Y363-L368 HydrophobicContact CE1-CB 4.02Å; Y363-L368 HydrophobicContact CE1-CD1 4.11Å; Y363-L368 HydrophobicContact CE2-CD1 3.98Å
369	V	89.9	Confident	87.8	Confident	20 Å²	20	71.7 Å²	71.7	12%	0.121	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-80.1	126.9	178.8	-176.9	0	0	0	0	109.6	W362 K364 Q367 H375 I377 L390 W403	W362-V369 HydrophobicContact CB-CB 4.04Å; W362-V369 HydrophobicContact CB-CG2 4.31Å; W362-V369 PolarHBondContact O-N 2.96Å; K364-V369 HydrophobicContact CB-CG2 3.81Å; Q367-V369 PolarHBondContact O-N 2.7Å; V369-H375 HydrophobicContact CG1-CB 4.16Å; V369-I377 HydrophobicContact CG1-CD1 4.31Å; V369-L390 HydrophobicContact CG1-CD1 4.29Å; V369-W403 HydrophobicContact CG1-CZ3 4.42Å; V369-W403 HydrophobicContact CG2-CE3 4.21Å; V369-W403 HydrophobicContact CG2-CZ3 3.84Å
370	Q	85.4	Confident	88.4	Confident	142 Å²	142	66.2 Å²	66.2	66%	0.664	34%	0.342	S	S	*	.			trans	-104.9	154.1	173.9	-66.6	-170.5	-14.7	0	0	111.4	T372	Q370-T372 PolarHBondContact O-N 3.05Å
371	N	85.1	Confident	87.9	Confident	113 Å²	113	71.9 Å²	71.9	60%	0.604	37%	0.368	S	S	*	.			trans	-66.6	122.1	177.5	-165.2	-1.1	0	0	0	109.9	H375 M376	N371-H375 CarbonylContact C-O 3.6Å; N371-H375 WeakPolarHBondContact CA-O 3.23Å; N371-H375 PolarHBondContact OD1-O 2.89Å; N371-M376 WeakPolarHBondContact OD1-CA 3.11Å
372	T	86.3	Confident	86.7	Confident	65 Å²	65	73.1 Å²	73.1	40%	0.399	37%	0.374	S	S	.	.			trans	-145.2	168.9	-173.8	54.6	0	0	0	0	110.3	Q370 N374 H375	Q370-T372 PolarHBondContact O-N 3.05Å; T372-N374 PolarHBondContact O-N 3.05Å; T372-N374 VanDerWaalsContact O-N 3.17Å; T372-H375 PolarHBondContact N-O 2.82Å; T372-H375 CarbonylContact O-C 3.56Å; T372-H375 VanDerWaalsContact O-C 3.31Å; T372-H375 PolarHBondContact O-N 3.5Å; T372-H375 VanDerWaalsContact O-N 3.08Å; T372-H375 VanDerWaalsContact O-O 3.11Å; T372-H375 WeakPolarHBondContact OG1-CB 3.49Å; T372-H375 PolarHBondContact OG1-N 3.36Å; T372-H375 VanDerWaalsContact OG1-N 3.13Å; T372-H375 PolarHBondContact OG1-ND1 2.93Å
373	T	81	Confident	85.3	Confident	142 Å²	142	74.5 Å²	74.5	87%	0.871	39%	0.39	S	S	*	.	S	Bend	trans	-59.8	-25.8	178.5	48.7	0	0	0	0	114.3	T393	T373-T393 PolarHBondContact O-OG1 3.37Å
374	N	85.6	Confident	83.9	Confident	38 Å²	38	73.7 Å²	73.7	20%	0.203	39%	0.39	C	S	.	.	S	Bend	trans	-91	-34.2	169.5	-157.4	27	0	0	0	113	T372 V392 T393 M394	T372-N374 PolarHBondContact O-N 3.05Å; T372-N374 VanDerWaalsContact O-N 3.17Å; N374-V392 CarbonylContact O-C 3.56Å; N374-V392 WeakPolarHBondContact O-CA 3.5Å; N374-T393 PolarHBondContact O-N 3.46Å; N374-T393 PolarHBondContact OD1-N 2.97Å; N374-T393 PolarHBondContact OD1-OG1 3.4Å; N374-M394 PolarHBondContact ND2-O 3.07Å; N374-M394 VanDerWaalsContact ND2-O 3.08Å; N374-M394 PolarHBondContact OD1-N 2.87Å; N374-M394 PolarHBondContact OD1-O 3.45Å
375	H	90.2	Very high	83	Confident	37 Å²	37	73.2 Å²	73.2	17%	0.171	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	100.3	-174.4	-48.2	85.3	0	0	0	111.8	V369 N371 T372 L390 I391 D399 W403	V369-H375 HydrophobicContact CG1-CB 4.16Å; N371-H375 CarbonylContact C-O 3.6Å; N371-H375 WeakPolarHBondContact CA-O 3.23Å; N371-H375 PolarHBondContact OD1-O 2.89Å; T372-H375 PolarHBondContact N-O 2.82Å; T372-H375 CarbonylContact O-C 3.56Å; T372-H375 VanDerWaalsContact O-C 3.31Å; T372-H375 PolarHBondContact O-N 3.5Å; T372-H375 VanDerWaalsContact O-N 3.08Å; T372-H375 VanDerWaalsContact O-O 3.11Å; T372-H375 WeakPolarHBondContact OG1-CB 3.49Å; T372-H375 PolarHBondContact OG1-N 3.36Å; T372-H375 VanDerWaalsContact OG1-N 3.13Å; T372-H375 PolarHBondContact OG1-ND1 2.93Å; H375-L390 HydrophobicContact CB-CD1 4.33Å; H375-I391 CarbonylContact C-O 3.54Å; H375-I391 WeakPolarHBondContact CA-O 3.4Å; H375-D399 IonicContact NE2-OD1 2.74Å; H375-W403 AromaticContact CD2-CH2 3.66Å; H375-W403 AromaticContact NE2-CH2 3.75Å
376	M	89.9	Confident	82.9	Confident	73 Å²	73	70.8 Å²	70.8	36%	0.36	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.9	175	-62.2	-174.3	-60.4	0	0	110.9	N371 I391 T393	N371-M376 WeakPolarHBondContact OD1-CA 3.11Å; M376-I391 HydrophobicContact CB-CB 4.39Å; M376-I391 HydrophobicContact CE-CB 4.45Å; M376-I391 HydrophobicContact CE-CG2 4.07Å; M376-I391 PolarHBondContact N-O 3.34Å; M376-I391 PolarHBondContact O-N 3.18Å; M376-T393 HydrophobicContact CE-CG2 3.68Å
377	I	90.9	Very high	83.2	Confident	21 Å²	21	68 Å²	68	11%	0.108	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.2	173.7	-59.1	170.6	0	0	0	108.3	W362 V369 Y379 S388 N389 L390	W362-I377 HydrophobicContact CB-CD1 4.18Å; W362-I377 HydrophobicContact CG-CD1 4.39Å; V369-I377 HydrophobicContact CG1-CD1 4.31Å; I377-Y379 HydrophobicContact CG2-CE1 4.13Å; I377-Y379 HydrophobicContact CG2-CE2 3.85Å; I377-S388 WeakPolarHBondContact CG2-OG 3.49Å; I377-N389 WeakPolarHBondContact CA-O 3.43Å; I377-L390 HydrophobicContact CG1-CD1 3.91Å
378	I	89.1	Confident	83.4	Confident	82 Å²	82	60.9 Å²	60.9	42%	0.421	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.2	179.1	-56.9	-179.2	0	0	0	108.7	S388 N389 I391	I378-S388 WeakPolarHBondContact O-CA 3.35Å; I378-N389 HydrophobicContact CB-CB 4.43Å; I378-N389 PolarHBondContact N-O 2.93Å; I378-N389 PolarHBondContact O-N 3.45Å; I378-I391 HydrophobicContact CD1-CD1 3.74Å; I378-I391 HydrophobicContact CG1-CD1 4.48Å
379	Y	89.2	Confident	83.5	Confident	72 Å²	72	58 Å²	58	28%	0.282	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	149	171.8	-54.7	-86.5	0	0	0	110.5	M357 L360 I377 Y387 S388	M357-Y379 HydrophobicContact CE-CG 4.3Å; L360-Y379 WeakPolarHBondContact O-CE1 3.42Å; L360-Y379 PolarHBondContact O-OH 3.48Å; I377-Y379 HydrophobicContact CG2-CE1 4.13Å; I377-Y379 HydrophobicContact CG2-CE2 3.85Å; Y379-Y387 WeakPolarHBondContact CA-O 3.39Å; Y379-S388 WeakPolarHBondContact CE1-OG 3.28Å
380	G	84.6	Confident	83.7	Confident	12 Å²	12	57 Å²	57	12%	0.124	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	180	172.8	0	0	0	0	0	112.4	Y386 Y387	G380-Y386 WeakPolarHBondContact O-CA 3.37Å; G380-Y387 VanDerWaalsContact C-CE1 3.49Å; G380-Y387 PolarHBondContact N-O 3.29Å; G380-Y387 PolarHBondContact O-N 2.89Å
381	Q	79.2	Confident	84	Confident	118 Å²	118	51.8 Å²	51.8	55%	0.551	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	131	-178.9	-174.8	171.3	-12.9	0	0	108.9	G383 Y386	Q381-G383 WeakPolarHBondContact CG-O 3.42Å; Q381-G383 PolarHBondContact NE2-O 3.48Å; Q381-Y386 HydrophobicContact CB-CD1 3.91Å; Q381-Y386 HydrophobicContact CB-CE1 4.03Å; Q381-Y386 HydrophobicContact CG-CD1 3.96Å; Q381-Y386 HydrophobicContact CG-CE1 3.84Å
382	L	66.8	Low	84.4	Confident	85 Å²	85	46.4 Å²	46.4	45%	0.445	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	84.7	174	-169.3	77.8	0	0	0	107.4	S384 N385 Y387	L382-S384 PolarHBondContact O-N 3.27Å; L382-N385 CarbonylContact C-O 3.33Å; L382-N385 PolarHBondContact N-O 2.8Å; L382-N385 PolarHBondContact O-N 3.09Å; L382-Y387 HydrophobicContact CB-CD1 4.11Å; L382-Y387 HydrophobicContact CB-CE1 4.33Å
383	G	64.9	Low	84.5	Confident	32 Å²	32	45.8 Å²	45.8	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-125.3	-174	0	0	0	0	0	112.3	E229 Q381 N385	E229-G383 WeakPolarHBondContact OE2-CA 3.42Å; Q381-G383 WeakPolarHBondContact CG-O 3.42Å; Q381-G383 PolarHBondContact NE2-O 3.48Å; G383-N385 VanDerWaalsContact C-N 3.28Å; G383-N385 PolarHBondContact O-N 3.37Å
384	S	62	Low	84.8	Confident	27 Å²	27	43.6 Å²	43.6	19%	0.189	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	176.7	53.9	0	0	0	0	114.2	E229 H353 L382	E229-S384 VanDerWaalsContact OE1-CB 3.27Å; E229-S384 WeakPolarHBondContact OE1-CB 3.39Å; E229-S384 PolarHBondContact OE1-N 2.87Å; E229-S384 PolarHBondContact OE1-OG 2.95Å; E229-S384 PolarHBondContact OE2-N 2.99Å; H353-S384 PolarHBondContact CE1-O 3.1Å; H353-S384 PolarHBondContact ND1-O 3.47Å; L382-S384 PolarHBondContact O-N 3.27Å
385	N	74	Confident	85	Confident	29 Å²	29	41.8 Å²	41.8	16%	0.155	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.4	177.1	-55.1	-46.8	0	0	0	111	F332 L382 G383	F332-N385 HydrophobicContact CE2-CB 4.25Å; F332-N385 WeakPolarHBondContact CE2-OD1 3.49Å; L382-N385 CarbonylContact C-O 3.33Å; L382-N385 PolarHBondContact N-O 2.8Å; L382-N385 PolarHBondContact O-N 3.09Å; G383-N385 VanDerWaalsContact C-N 3.28Å; G383-N385 PolarHBondContact O-N 3.37Å
386	Y	84.6	Confident	84.9	Confident	35 Å²	35	41.8 Å²	41.8	14%	0.137	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	156.9	170.8	-65.3	-70.6	0	0	0	110.5	Y352 K356 M357 G380 Q381	Y352-Y386 WeakPolarHBondContact CD1-O 3.36Å; Y352-Y386 HydrophobicContact CE2-CD2 4.24Å; Y352-Y386 HydrophobicContact CE2-CG 4.27Å; Y352-Y386 PolarHBondContact N-O 2.77Å; Y352-Y386 PolarHBondContact O-N 3.41Å; K356-Y386 WeakPolarHBondContact O-CE2 3.43Å; M357-Y386 HydrophobicContact CB-CD1 4.39Å; M357-Y386 HydrophobicContact CB-CE1 3.88Å; M357-Y386 HydrophobicContact CB-CE2 4.44Å; M357-Y386 HydrophobicContact CG-CD1 4.05Å; M357-Y386 HydrophobicContact CG-CE1 3.96Å; M357-Y386 HydrophobicContact SD-CE1 4.46Å; G380-Y386 WeakPolarHBondContact O-CA 3.37Å; Q381-Y386 HydrophobicContact CB-CD1 3.91Å; Q381-Y386 HydrophobicContact CB-CE1 4.03Å; Q381-Y386 HydrophobicContact CG-CD1 3.96Å; Q381-Y386 HydrophobicContact CG-CE1 3.84Å
387	Y	89.9	Confident	84.6	Confident	51 Å²	51	38.3 Å²	38.3	20%	0.2	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.1	170	66.5	-93.9	0	0	0	111.3	C350 Y379 G380 L382 N389	C350-Y387 CarbonylContact O-C 3.52Å; C350-Y387 WeakPolarHBondContact O-CA 3.22Å; Y379-Y387 WeakPolarHBondContact CA-O 3.39Å; G380-Y387 VanDerWaalsContact C-CE1 3.49Å; G380-Y387 PolarHBondContact N-O 3.29Å; G380-Y387 PolarHBondContact O-N 2.89Å; L382-Y387 HydrophobicContact CB-CD1 4.11Å; L382-Y387 HydrophobicContact CB-CE1 4.33Å; Y387-N389 WeakPolarHBondContact CD2-OD1 3.31Å
388	S	92.3	Very high	84.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.7	167.2	-170.9	0	0	0	0	108.4	C350 W362 I377 I378 Y379	C350-S388 PolarHBondContact N-O 3.43Å; C350-S388 PolarHBondContact O-N 3.07Å; W362-S388 PolarHBondContact NE1-OG 3.37Å; I377-S388 WeakPolarHBondContact CG2-OG 3.49Å; I378-S388 WeakPolarHBondContact O-CA 3.35Å; Y379-S388 WeakPolarHBondContact CE1-OG 3.28Å
389	N	92.7	Very high	84.3	Confident	23 Å²	23	37.9 Å²	37.9	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	175	-70.4	-12.7	0	0	0	108.1	L347 L348 R349 I377 I378 Y387	L347-N389 HydrophobicContact CD1-CB 3.76Å; L348-N389 CarbonylContact O-C 3.41Å; L348-N389 WeakPolarHBondContact O-CA 3.06Å; R349-N389 WeakPolarHBondContact CB-OD1 3.29Å; R349-N389 WeakPolarHBondContact CD-OD1 3.37Å; R349-N389 VanDerWaalsContact CG-OD1 3.25Å; R349-N389 WeakPolarHBondContact CG-OD1 3.01Å; I377-N389 WeakPolarHBondContact CA-O 3.43Å; I378-N389 HydrophobicContact CB-CB 4.43Å; I378-N389 PolarHBondContact N-O 2.93Å; I378-N389 PolarHBondContact O-N 3.45Å; Y387-N389 WeakPolarHBondContact CD2-OD1 3.31Å
390	L	93.4	Very high	84.4	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.6	166	169.8	65.3	0	0	0	108.3	L347 L348 W362 V369 H375 I377 W403	L347-L390 WeakPolarHBondContact CA-O 2.99Å; L348-L390 HydrophobicContact CB-CB 4.48Å; L348-L390 HydrophobicContact CD1-CD2 4.4Å; L348-L390 PolarHBondContact N-O 3.11Å; L348-L390 PolarHBondContact O-N 3.15Å; W362-L390 HydrophobicContact CD2-CB 3.75Å; W362-L390 HydrophobicContact CD2-CD2 3.94Å; W362-L390 HydrophobicContact CD2-CG 4.44Å; W362-L390 HydrophobicContact CE3-CB 4.05Å; W362-L390 HydrophobicContact CE3-CD2 3.64Å; W362-L390 HydrophobicContact CG-CB 4.25Å; W362-L390 HydrophobicContact CG-CD2 4.35Å; W362-L390 HydrophobicContact CH2-CB 4.16Å; W362-L390 HydrophobicContact CZ2-CB 3.87Å; W362-L390 HydrophobicContact CZ3-CB 4.24Å; W362-L390 HydrophobicContact CZ3-CD2 4.12Å; V369-L390 HydrophobicContact CG1-CD1 4.29Å; H375-L390 HydrophobicContact CB-CD1 4.33Å; I377-L390 HydrophobicContact CG1-CD1 3.91Å; L390-W403 HydrophobicContact CD2-CD2 4.33Å; L390-W403 HydrophobicContact CD2-CE3 3.42Å; L390-W403 VanDerWaalsContact CD2-CE3 3.42Å; L390-W403 HydrophobicContact CD2-CH2 4.46Å; L390-W403 HydrophobicContact CD2-CZ3 3.52Å
391	I	92.8	Very high	84.7	Confident	33 Å²	33	35.3 Å²	35.3	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.9	176.5	-61.3	171.6	0	0	0	108	T345 M346 L347 H375 M376 I378	T345-I391 HydrophobicContact CG2-CG2 3.69Å; M346-I391 CarbonylContact O-C 3.57Å; M346-I391 WeakPolarHBondContact O-CA 3.5Å; L347-I391 HydrophobicContact CD1-CG1 3.86Å; H375-I391 CarbonylContact C-O 3.54Å; H375-I391 WeakPolarHBondContact CA-O 3.4Å; M376-I391 HydrophobicContact CB-CB 4.39Å; M376-I391 HydrophobicContact CE-CB 4.45Å; M376-I391 HydrophobicContact CE-CG2 4.07Å; M376-I391 PolarHBondContact N-O 3.34Å; M376-I391 PolarHBondContact O-N 3.18Å; I378-I391 HydrophobicContact CD1-CD1 3.74Å; I378-I391 HydrophobicContact CG1-CD1 4.48Å
392	V	92.5	Very high	85.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114	166.5	-176.6	0	0	0	0	107.7	T345 M346 N374 W403	T345-V392 CarbonylContact C-O 3.54Å; T345-V392 VanDerWaalsContact CA-O 3.26Å; T345-V392 WeakPolarHBondContact CA-O 3.49Å; T345-V392 WeakPolarHBondContact CG2-O 3.08Å; M346-V392 HydrophobicContact CB-CB 4.27Å; M346-V392 HydrophobicContact CE-CB 4.05Å; M346-V392 HydrophobicContact CE-CG2 3.48Å; M346-V392 VanDerWaalsContact CE-CG2 3.48Å; M346-V392 PolarHBondContact N-O 2.92Å; M346-V392 PolarHBondContact O-N 3.3Å; N374-V392 CarbonylContact O-C 3.56Å; N374-V392 WeakPolarHBondContact O-CA 3.5Å; V392-W403 HydrophobicContact CG2-CH2 4.08Å; V392-W403 HydrophobicContact CG2-CZ2 4.49Å
393	T	88.8	Confident	86.6	Confident	51 Å²	51	29 Å²	29	31%	0.313	16%	0.16	S	C	.	.	S	Bend	trans	-67.3	-41.7	-168.5	56.4	0	0	0	0	112	T345 T373 N374 M376	T345-T393 WeakPolarHBondContact CA-O 3.27Å; T345-T393 PolarHBondContact OG1-O 3.25Å; T373-T393 PolarHBondContact O-OG1 3.37Å; N374-T393 PolarHBondContact O-N 3.46Å; N374-T393 PolarHBondContact OD1-N 2.97Å; N374-T393 PolarHBondContact OD1-OG1 3.4Å; M376-T393 HydrophobicContact CE-CG2 3.68Å
394	M	87.9	Confident	88	Confident	97 Å²	97	27.5 Å²	27.5	48%	0.478	14%	0.144	S	C	.	.	S	Bend	trans	-134	108.3	173.4	-163.6	175.4	80.4	0	0	110.5	N343 N374	N343-M394 HydrophobicContact CB-CG 4.07Å; N343-M394 HydrophobicContact CB-SD 4.4Å; N374-M394 PolarHBondContact ND2-O 3.07Å; N374-M394 VanDerWaalsContact ND2-O 3.08Å; N374-M394 PolarHBondContact OD1-N 2.87Å; N374-M394 PolarHBondContact OD1-O 3.45Å
395	T	89.5	Confident	89.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.			trans	-66.2	142.3	175.4	48.6	0	0	0	0	112.3	Y341 N342 N343 K344 M346 I419	Y341-T395 PolarHBondContact O-OG1 3.36Å; N342-T395 PolarHBondContact OD1-O 3.35Å; N342-T395 VanDerWaalsContact OD1-O 3.1Å; N343-T395 PolarHBondContact N-O 2.73Å; N343-T395 PolarHBondContact N-OG1 3.28Å; K344-T395 PolarHBondContact N-OG1 2.84Å; K344-T395 VanDerWaalsContact N-OG1 3.09Å; K344-T395 WeakPolarHBondContact O-CG2 3.21Å; K344-T395 PolarHBondContact O-N 3Å; K344-T395 PolarHBondContact O-OG1 3.32Å; M346-T395 HydrophobicContact CB-CG2 3.6Å; T395-I419 HydrophobicContact CG2-CD1 3.71Å
396	T	88.4	Confident	90.3	Very high	36 Å²	36	25.3 Å²	25.3	22%	0.221	13%	0.131	C	C	.	.			trans	-130.1	170.9	176.3	65.1	0	0	0	0	111.3	K398 D399 I419	T396-K398 PolarHBondContact O-N 2.02Å; T396-K398 VanDerWaalsContact O-N 3.08Å; T396-K398 PolarHBondContact OG1-N 2.92Å; T396-D399 PolarHBondContact N-OD2 2.93Å; T396-D399 WeakPolarHBondContact O-CB 3.47Å; T396-D399 PolarHBondContact O-N 3.3Å; T396-D399 PolarHBondContact OG1-OD2 2.81Å; T396-I419 WeakPolarHBondContact O-CG1 3.36Å
397	G	83	Confident	90.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59.3	-19.3	172.4	0	0	0	0	0	113.9	D399 Y428 P429	G397-D399 VanDerWaalsContact C-N 3.26Å; G397-D399 PolarHBondContact O-N 2.95Å; G397-Y428 CarbonylContact O-C 3.58Å; G397-Y428 VanDerWaalsContact O-C 3.23Å; G397-P429 WeakPolarHBondContact O-CD 3.34Å
398	K	85.2	Confident	90.1	Very high	91 Å²	91	24.8 Å²	24.8	40%	0.396	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-78.6	-5	175.5	-60.7	178.5	-176.3	-172	0	113.2	K364 T396 P429 D432 D433	K364-K398 VanDerWaalsContact CE-O 3.26Å; K364-K398 WeakPolarHBondContact CE-O 3.09Å; K364-K398 PolarHBondContact NZ-O 3.31Å; T396-K398 PolarHBondContact O-N 2.02Å; T396-K398 VanDerWaalsContact O-N 3.08Å; T396-K398 PolarHBondContact OG1-N 2.92Å; K398-P429 WeakPolarHBondContact CE-O 3.45Å; K398-P429 HydrophobicContact CG-CB 4.16Å; K398-D432 WeakPolarHBondContact CE-OD2 3.47Å; K398-D433 IonicContact NZ-OD1 3.85Å
399	D	89.4	Confident	89.6	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-102.7	-7.6	-179.4	-58.8	-54.9	0	0	0	114.4	K364 H375 T396 G397 G401 W403 I419	K364-D399 IonicContact NZ-OD1 2.77Å; K364-D399 PolarHBondContact NZ-OD1 2.94Å; H375-D399 IonicContact NE2-OD1 2.74Å; T396-D399 PolarHBondContact N-OD2 2.93Å; T396-D399 WeakPolarHBondContact O-CB 3.47Å; T396-D399 PolarHBondContact O-N 3.3Å; T396-D399 PolarHBondContact OG1-OD2 2.81Å; G397-D399 VanDerWaalsContact C-N 3.26Å; G397-D399 PolarHBondContact O-N 2.95Å; D399-G401 PolarHBondContact O-N 3.03Å; D399-W403 HydrophobicContact CB-CZ2 4.19Å; D399-W403 PolarHBondContact O-NE1 3.21Å; D399-I419 HydrophobicContact CB-CG1 4.1Å
400	T	90.2	Very high	89	Confident	11 Å²	11	36.7 Å²	36.7	7%	0.067	19%	0.193	C	C	.	.			trans	-63.5	123.1	161.7	-64.4	0	0	0	0	109.3	V417 I419 I426 L427 Y428	T400-V417 WeakPolarHBondContact CA-O 3.49Å; T400-I419 WeakPolarHBondContact OG1-CB 3.45Å; T400-I419 PolarHBondContact OG1-N 3.29Å; T400-I426 HydrophobicContact CG2-CG2 3.88Å; T400-L427 VanDerWaalsContact CB-O 3.27Å; T400-L427 WeakPolarHBondContact CB-O 3.3Å; T400-L427 PolarHBondContact OG1-O 2.97Å; T400-Y428 HydrophobicContact CG2-CD1 4.11Å; T400-Y428 HydrophobicContact CG2-CE1 4.09Å
401	G	90.4	Very high	88.5	Confident	19 Å²	19	40.7 Å²	40.7	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-172.9	-175.1	0	0	0	0	0	113.8	D399 V417	D399-G401 PolarHBondContact O-N 3.03Å; G401-V417 PolarHBondContact N-O 2.97Å; G401-V417 PolarHBondContact O-N 2.88Å
402	L	92	Very high	88.3	Confident	70 Å²	70	44.4 Å²	44.4	37%	0.366	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	105.8	178.5	-175.8	65.1	0	0	0	110.4	D365 L414	D365-L402 PolarHBondContact N-O 3.13Å; D365-L402 PolarHBondContact OD1-N 2.91Å; L402-L414 HydrophobicContact CD1-CB 4.19Å; L402-L414 HydrophobicContact CD1-CD2 4.48Å; L402-L414 HydrophobicContact CD2-CD2 4.46Å
403	W	94.5	Very high	88.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	151.8	172.5	-60.6	78.1	0	0	0	109.9	M346 L348 Y363 K364 V369 H375 L390 V392 D399 F415 V417	M346-W403 HydrophobicContact CE-CD2 4.49Å; M346-W403 HydrophobicContact CE-CH2 4.35Å; M346-W403 HydrophobicContact CE-CZ2 3.73Å; L348-W403 HydrophobicContact CD1-CB 3.85Å; L348-W403 HydrophobicContact CD1-CD2 4.46Å; L348-W403 HydrophobicContact CD1-CG 4.01Å; Y363-W403 CarbonylContact O-C 3.53Å; Y363-W403 WeakPolarHBondContact O-CA 3.39Å; K364-W403 HydrophobicContact CB-CD2 4.14Å; K364-W403 HydrophobicContact CB-CE3 3.76Å; K364-W403 HydrophobicContact CB-CH2 4.34Å; K364-W403 HydrophobicContact CB-CZ3 3.86Å; K364-W403 HydrophobicContact CD-CD2 4.45Å; K364-W403 HydrophobicContact CD-CE3 4.36Å; K364-W403 HydrophobicContact CD-CH2 3.52Å; K364-W403 HydrophobicContact CD-CZ2 3.57Å; K364-W403 HydrophobicContact CD-CZ3 3.91Å; K364-W403 VanDerWaalsContact CE-CZ2 3.42Å; K364-W403 HydrophobicContact CG-CD2 3.96Å; K364-W403 HydrophobicContact CG-CE3 4.02Å; K364-W403 HydrophobicContact CG-CH2 4.07Å; K364-W403 HydrophobicContact CG-CZ2 3.97Å; K364-W403 HydrophobicContact CG-CZ3 4.06Å; V369-W403 HydrophobicContact CG1-CZ3 4.42Å; V369-W403 HydrophobicContact CG2-CE3 4.21Å; V369-W403 HydrophobicContact CG2-CZ3 3.84Å; H375-W403 AromaticContact CD2-CH2 3.66Å; H375-W403 AromaticContact NE2-CH2 3.75Å; L390-W403 HydrophobicContact CD2-CD2 4.33Å; L390-W403 HydrophobicContact CD2-CE3 3.42Å; L390-W403 VanDerWaalsContact CD2-CE3 3.42Å; L390-W403 HydrophobicContact CD2-CH2 4.46Å; L390-W403 HydrophobicContact CD2-CZ3 3.52Å; V392-W403 HydrophobicContact CG2-CH2 4.08Å; V392-W403 HydrophobicContact CG2-CZ2 4.49Å; D399-W403 HydrophobicContact CB-CZ2 4.19Å; D399-W403 PolarHBondContact O-NE1 3.21Å; W403-F415 HydrophobicContact CB-CB 4.24Å; W403-F415 PolarHBondContact N-O 2.03Å; W403-F415 PolarHBondContact O-N 3.06Å; W403-V417 HydrophobicContact CG-CG2 4.19Å
404	S	93.8	Very high	88.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	146.2	174.2	54	0	0	0	0	112.7	W362 Y363 R412 T413	W362-S404 WeakPolarHBondContact CA-O 3.09Å; Y363-S404 PolarHBondContact N-O 3.18Å; Y363-S404 PolarHBondContact O-N 2.04Å; S404-R412 PolarHBondContact OG-NH1 3.46Å; S404-T413 WeakPolarHBondContact CA-O 3.42Å; S404-T413 WeakPolarHBondContact CB-O 3.22Å
405	C	93.8	Very high	88.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.8	168.7	51.3	0	0	0	0	110	C350 L360 L361 W362 R412 T413 F415	C350-C405 HydrophobicContact CB-CB 3.54Å; C350-C405 WeakPolarHBondContact CB-SG 3.34Å; C350-C405 WeakPolarHBondContact SG-CB 3.47Å; C350-C405 CovalentContact SG-SG 2.03Å; C350-C405 PolarHBondContact SG-SG 3.34Å; L360-C405 HydrophobicContact CD1-CB 4.07Å; L360-C405 HydrophobicContact CD2-CB 3.48Å; L360-C405 VanDerWaalsContact CD2-CB 3.48Å; L360-C405 HydrophobicContact CG-CB 4.08Å; L361-C405 CarbonylContact O-C 3.58Å; L361-C405 WeakPolarHBondContact O-CA 3.14Å; W362-C405 HydrophobicContact CD2-CB 4.3Å; W362-C405 HydrophobicContact CE3-CB 4.26Å; W362-C405 HydrophobicContact CH2-CB 4.29Å; W362-C405 HydrophobicContact CZ2-CB 4.3Å; W362-C405 HydrophobicContact CZ3-CB 4.27Å; C405-R412 VanDerWaalsContact O-CA 3.28Å; C405-R412 WeakPolarHBondContact O-CA 3.27Å; C405-T413 PolarHBondContact N-O 2.79Å; C405-T413 VanDerWaalsContact N-O 3.12Å; C405-T413 PolarHBondContact O-N 2.86Å; C405-F415 HydrophobicContact CB-CE2 4.42Å
406	V	91.9	Very high	88.8	Confident	10 Å²	10	45.3 Å²	45.3	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.8	-176.8	179.1	0	0	0	0	110.4	L361 Y363 Y411 R412	L361-V406 PolarHBondContact N-O 2.83Å; L361-V406 PolarHBondContact O-N 3.2Å; Y363-V406 HydrophobicContact CD2-CB 4.15Å; Y363-V406 HydrophobicContact CD2-CG2 3.62Å; Y363-V406 HydrophobicContact CE2-CB 3.93Å; Y363-V406 HydrophobicContact CE2-CG2 3.77Å; V406-Y411 CarbonylContact C-O 3.29Å; V406-Y411 VanDerWaalsContact CA-O 3.3Å; V406-Y411 WeakPolarHBondContact CA-O 3.43Å; V406-R412 HydrophobicContact CG2-CB 4.13Å; V406-R412 HydrophobicContact CG2-CG 3.84Å
407	L	88.4	Confident	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126	174.2	-177	70.3	0	0	0	110	I331 Y352 D358 N409 Q410 Y411	I331-L407 HydrophobicContact CD1-CB 3.93Å; I331-L407 HydrophobicContact CG1-CB 3.86Å; I331-L407 HydrophobicContact CG1-CD2 4.39Å; Y352-L407 HydrophobicContact CD2-CD1 3.62Å; Y352-L407 HydrophobicContact CD2-CD2 3.92Å; Y352-L407 HydrophobicContact CD2-CG 4.38Å; Y352-L407 HydrophobicContact CE2-CD1 3.81Å; Y352-L407 HydrophobicContact CG-CD1 4.42Å; Y352-L407 HydrophobicContact CG-CD2 4.41Å; D358-L407 HydrophobicContact CB-CD1 4.06Å; L407-N409 PolarHBondContact O-N 3.26Å; L407-Q410 PolarHBondContact O-N 3.43Å; L407-Y411 HydrophobicContact CB-CD2 4.47Å; L407-Y411 HydrophobicContact CD2-CD2 4.33Å; L407-Y411 PolarHBondContact N-O 3.26Å; L407-Y411 PolarHBondContact O-N 3.48Å; L407-Y411 VanDerWaalsContact O-N 3.15Å
408	N	82.4	Confident	89.4	Confident	75 Å²	75	45.1 Å²	45.1	40%	0.401	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	30.1	174.1	-61.9	-8.4	0	0	0	114.7	D358 Q410	D358-N408 WeakPolarHBondContact CB-OD1 3.02Å; D358-N408 PolarHBondContact OD2-ND2 3.18Å; D358-N408 PolarHBondContact OD2-OD1 3.16Å; N408-Q410 PolarHBondContact O-N 3.45Å; N408-Q410 VanDerWaalsContact O-N 3.08Å
409	N	80.5	Confident	89.7	Confident	129 Å²	129	40.8 Å²	40.8	69%	0.69	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	20	-175.3	-62.5	-17.9	0	0	0	115.3	L407	L407-N409 PolarHBondContact O-N 3.26Å
410	Q	79.6	Confident	89.7	Confident	145 Å²	145	41.9 Å²	41.9	68%	0.678	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-40.5	-178.1	-73.8	179.5	-10	0	0	112.7	L407 N408	L407-Q410 PolarHBondContact O-N 3.43Å; N408-Q410 PolarHBondContact O-N 3.45Å; N408-Q410 VanDerWaalsContact O-N 3.08Å
411	Y	83.6	Confident	89.5	Confident	83 Å²	83	44 Å²	44	33%	0.325	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133	-178	-50.4	-81.2	0	0	0	109.2	T329 I331 V406 L407	T329-Y411 WeakPolarHBondContact O-CE2 3.22Å; T329-Y411 PolarHBondContact O-OH 2.68Å; T329-Y411 VanDerWaalsContact O-OH 3.14Å; I331-Y411 WeakPolarHBondContact CD1-O 3.05Å; V406-Y411 CarbonylContact C-O 3.29Å; V406-Y411 VanDerWaalsContact CA-O 3.3Å; V406-Y411 WeakPolarHBondContact CA-O 3.43Å; L407-Y411 HydrophobicContact CB-CD2 4.47Å; L407-Y411 HydrophobicContact CD2-CD2 4.33Å; L407-Y411 PolarHBondContact N-O 3.26Å; L407-Y411 PolarHBondContact O-N 3.48Å; L407-Y411 VanDerWaalsContact O-N 3.15Å
412	R	89.3	Confident	89.1	Confident	111 Å²	111	47.5 Å²	47.5	42%	0.419	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.8	175.5	-177.1	-173	-73.5	-139.6	21.1	110.3	D366 S404 C405 V406 L414	D366-R412 IonicContact OD1-CZ 3.53Å; D366-R412 IonicContact OD1-NH1 3.29Å; D366-R412 PolarHBondContact OD1-NH1 3.34Å; D366-R412 IonicContact OD1-NH2 3.79Å; D366-R412 PolarHBondContact OD1-NH2 3.45Å; S404-R412 PolarHBondContact OG-NH1 3.46Å; C405-R412 VanDerWaalsContact O-CA 3.28Å; C405-R412 WeakPolarHBondContact O-CA 3.27Å; V406-R412 HydrophobicContact CG2-CB 4.13Å; V406-R412 HydrophobicContact CG2-CG 3.84Å; R412-L414 HydrophobicContact CG-CD2 4.07Å
413	T	91.5	Very high	88.5	Confident	10 Å²	10	49.3 Å²	49.3	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.9	167.2	-67.9	0	0	0	0	109.6	I331 T333 L334 S404 C405 F415	I331-T413 WeakPolarHBondContact CG2-OG1 3.29Å; T333-T413 HydrophobicContact CG2-CG2 4.17Å; T333-T413 WeakPolarHBondContact O-CG2 3.45Å; T333-T413 PolarHBondContact O-OG1 2.95Å; L334-T413 WeakPolarHBondContact O-CG2 3.42Å; S404-T413 WeakPolarHBondContact CA-O 3.42Å; S404-T413 WeakPolarHBondContact CB-O 3.22Å; C405-T413 PolarHBondContact N-O 2.79Å; C405-T413 VanDerWaalsContact N-O 3.12Å; C405-T413 PolarHBondContact O-N 2.86Å; T413-F415 HydrophobicContact CG2-CE1 4.29Å; T413-F415 HydrophobicContact CG2-CE2 4.28Å; T413-F415 HydrophobicContact CG2-CZ 3.96Å
414	L	92.5	Very high	87.8	Confident	59 Å²	59	51.5 Å²	51.5	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.2	-175.7	-57.9	-177.9	0	0	0	111.8	N335 Q336 L402 R412	N335-L414 WeakPolarHBondContact CA-O 3.33Å; N335-L414 HydrophobicContact CB-CB 4.42Å; N335-L414 PolarHBondContact OD1-N 3.06Å; Q336-L414 PolarHBondContact N-O 3.12Å; Q336-L414 VanDerWaalsContact N-O 3.15Å; L402-L414 HydrophobicContact CD1-CB 4.19Å; L402-L414 HydrophobicContact CD1-CD2 4.48Å; L402-L414 HydrophobicContact CD2-CD2 4.46Å; R412-L414 HydrophobicContact CG-CD2 4.07Å
415	F	93.5	Very high	87.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.6	173	-52.1	-83	0	0	0	109.8	T333 Q336 Y338 L348 C350 W362 W403 C405 T413	T333-F415 HydrophobicContact CG2-CE1 3.73Å; T333-F415 HydrophobicContact CG2-CZ 3.78Å; Q336-F415 HydrophobicContact CB-CD1 4.3Å; Q336-F415 VanDerWaalsContact O-CA 3.27Å; Q336-F415 WeakPolarHBondContact O-CA 3.41Å; Y338-F415 HydrophobicContact CD2-CD1 4.44Å; Y338-F415 HydrophobicContact CE2-CD1 4.03Å; L348-F415 HydrophobicContact CD1-CB 4.14Å; L348-F415 HydrophobicContact CD1-CD2 4.42Å; L348-F415 HydrophobicContact CD1-CG 4.32Å; L348-F415 HydrophobicContact CD2-CB 4.5Å; C350-F415 HydrophobicContact CB-CE2 4.48Å; C350-F415 HydrophobicContact CB-CZ 4.25Å; W362-F415 HydrophobicContact CH2-CD2 4.26Å; W362-F415 AromaticContact CH2-CE2 3.61Å; W362-F415 HydrophobicContact CH2-CE2 3.61Å; W362-F415 HydrophobicContact CH2-CZ 4.15Å; W362-F415 AromaticContact CZ3-CD2 3.74Å; W362-F415 HydrophobicContact CZ3-CD2 3.74Å; W362-F415 AromaticContact CZ3-CE2 3.49Å; W362-F415 HydrophobicContact CZ3-CE2 3.49Å; W362-F415 VanDerWaalsContact CZ3-CE2 3.49Å; W362-F415 HydrophobicContact CZ3-CZ 4.43Å; W403-F415 HydrophobicContact CB-CB 4.24Å; W403-F415 PolarHBondContact N-O 2.03Å; W403-F415 PolarHBondContact O-N 3.06Å; C405-F415 HydrophobicContact CB-CE2 4.42Å; T413-F415 HydrophobicContact CG2-CE1 4.29Å; T413-F415 HydrophobicContact CG2-CE2 4.28Å; T413-F415 HydrophobicContact CG2-CZ 3.96Å
416	E	91.6	Very high	86.6	Confident	98 Å²	98	61 Å²	61	46%	0.458	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.3	176	-170.8	179.6	167.2	0	0	109	Q336 N337 Y338	Q336-E416 PolarHBondContact O-N 2.8Å; N337-E416 CarbonylContact C-O 3.23Å; N337-E416 WeakPolarHBondContact CA-O 3.2Å; N337-E416 HydrophobicContact CB-CB 4.44Å; N337-E416 PolarHBondContact ND2-OE2 3Å; Y338-E416 PolarHBondContact N-O 2.87Å
417	V	92.6	Very high	86.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.6	-172.1	175	0	0	0	0	110.7	F340 M346 L348 T400 G401 W403 I419	F340-V417 HydrophobicContact CD2-CG1 4.17Å; M346-V417 HydrophobicContact CE-CG1 4.41Å; M346-V417 HydrophobicContact SD-CG1 3.67Å; M346-V417 HydrophobicContact SD-CG2 4.02Å; L348-V417 HydrophobicContact CD1-CG2 4.1Å; L348-V417 HydrophobicContact CD2-CG2 4.39Å; T400-V417 WeakPolarHBondContact CA-O 3.49Å; G401-V417 PolarHBondContact N-O 2.97Å; G401-V417 PolarHBondContact O-N 2.88Å; W403-V417 HydrophobicContact CG-CG2 4.19Å; V417-I419 HydrophobicContact CG1-CD1 3.79Å; V417-I419 HydrophobicContact CG1-CG1 4.46Å
418	N	91.3	Very high	85.6	Confident	32 Å²	32	67.4 Å²	67.4	17%	0.171	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.3	173.2	-68.6	-70.6	0	0	0	110.5	Y338 T339 F340 I426	Y338-N418 PolarHBondContact O-N 3.15Å; T339-N418 WeakPolarHBondContact CA-O 3.38Å; T339-N418 HydrophobicContact CG2-CB 4.33Å; F340-N418 PolarHBondContact N-O 2.62Å; N418-I426 HydrophobicContact CB-CD1 4.26Å; N418-I426 HydrophobicContact CB-CG1 4.31Å; N418-I426 HydrophobicContact CB-CG2 4.35Å
419	I	90.7	Very high	85.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.1	173.8	-51.6	-54.3	0	0	0	109.1	F340 N342 T395 T396 D399 T400 V417 I426 L427	F340-I419 HydrophobicContact CB-CD1 3.91Å; F340-I419 HydrophobicContact CD2-CD1 4.36Å; F340-I419 CarbonylContact O-C 3.27Å; F340-I419 VanDerWaalsContact O-CA 3.31Å; F340-I419 WeakPolarHBondContact O-CA 3.16Å; N342-I419 HydrophobicContact CB-CG2 4.19Å; T395-I419 HydrophobicContact CG2-CD1 3.71Å; T396-I419 WeakPolarHBondContact O-CG1 3.36Å; D399-I419 HydrophobicContact CB-CG1 4.1Å; T400-I419 WeakPolarHBondContact OG1-CB 3.45Å; T400-I419 PolarHBondContact OG1-N 3.29Å; V417-I419 HydrophobicContact CG1-CD1 3.79Å; V417-I419 HydrophobicContact CG1-CG1 4.46Å; I419-I426 CarbonylContact O-C 3.56Å; I419-I426 WeakPolarHBondContact O-CA 3.49Å; I419-L427 PolarHBondContact O-N 3.45Å
420	I	90	Very high	84.3	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.128	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.5	-178.8	58.1	170.2	0	0	0	112.6	F340 Y341 N342 K425 I426	F340-I420 WeakPolarHBondContact O-CG1 3.32Å; F340-I420 PolarHBondContact O-N 2.98Å; Y341-I420 CarbonylContact C-O 3.23Å; Y341-I420 WeakPolarHBondContact CA-O 3.47Å; Y341-I420 HydrophobicContact CD1-CD1 3.92Å; Y341-I420 HydrophobicContact CD1-CG1 3.86Å; Y341-I420 HydrophobicContact CE1-CD1 3.62Å; Y341-I420 HydrophobicContact CE1-CG1 4.1Å; Y341-I420 HydrophobicContact CE2-CD1 4.27Å; Y341-I420 HydrophobicContact CG-CD1 4.38Å; Y341-I420 HydrophobicContact CG-CG1 4.17Å; N342-I420 PolarHBondContact N-O 2.79Å; I420-K425 CarbonylContact C-O 3.58Å; I420-K425 VanDerWaalsContact CA-O 3.28Å; I420-K425 WeakPolarHBondContact CA-O 3.28Å; I420-I426 HydrophobicContact CG2-CG1 3.94Å
421	N	86	Confident	83.3	Confident	56 Å²	56	62.5 Å²	62.5	30%	0.299	32%	0.323	S	S	.	.			trans	-76.5	175.9	169.8	-160.5	19.9	0	0	0	111.6	D423 G424 K425 L427	N421-D423 PolarHBondContact O-N 2.94Å; N421-D423 VanDerWaalsContact O-N 3.08Å; N421-G424 PolarHBondContact O-N 3.46Å; N421-K425 PolarHBondContact N-O 3.1Å; N421-L427 HydrophobicContact CB-CD1 4.16Å; N421-L427 HydrophobicContact CB-CD2 4.14Å; N421-L427 HydrophobicContact CB-CG 4.14Å
422	S	81.9	Confident	81.8	Confident	93 Å²	93	61 Å²	61	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-40.8	169.6	46.4	0	0	0	0	113.6	G424	S422-G424 PolarHBondContact O-N 3.31Å
423	D	79.9	Confident	80	Confident	107 Å²	107	59.9 Å²	59.9	57%	0.572	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	6.1	-173.3	-49.6	4.9	0	0	0	113.2	N421 K425	N421-D423 PolarHBondContact O-N 2.94Å; N421-D423 VanDerWaalsContact O-N 3.08Å; D423-K425 HydrophobicContact CB-CG 4.48Å; D423-K425 PolarHBondContact O-N 3.33Å
424	G	78.8	Confident	78	Confident	46 Å²	46	65.1 Å²	65.1	47%	0.474	35%	0.346	S	S	.	.	S	Bend	trans	73	-1.9	-176.3	0	0	0	0	0	115.4	N421 S422	N421-G424 PolarHBondContact O-N 3.46Å; S422-G424 PolarHBondContact O-N 3.31Å
425	K	81.6	Confident	76	Confident	140 Å²	140	66.1 Å²	66.1	61%	0.609	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-72.2	133	174.5	-66.2	174.3	-174.9	159.7	0	110.6	I420 N421 D423	I420-K425 CarbonylContact C-O 3.58Å; I420-K425 VanDerWaalsContact CA-O 3.28Å; I420-K425 WeakPolarHBondContact CA-O 3.28Å; N421-K425 PolarHBondContact N-O 3.1Å; D423-K425 HydrophobicContact CB-CG 4.48Å; D423-K425 PolarHBondContact O-N 3.33Å
426	I	80.6	Confident	73.8	Confident	61 Å²	61	74.2 Å²	74.2	31%	0.313	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-65.4	132	169	-57.4	169.2	0	0	0	108.5	T400 N418 I419 I420 Y428	T400-I426 HydrophobicContact CG2-CG2 3.88Å; N418-I426 HydrophobicContact CB-CD1 4.26Å; N418-I426 HydrophobicContact CB-CG1 4.31Å; N418-I426 HydrophobicContact CB-CG2 4.35Å; I419-I426 CarbonylContact O-C 3.56Å; I419-I426 WeakPolarHBondContact O-CA 3.49Å; I420-I426 HydrophobicContact CG2-CG1 3.94Å; I426-Y428 HydrophobicContact CB-CE2 4.07Å; I426-Y428 HydrophobicContact CG2-CD2 4.44Å; I426-Y428 HydrophobicContact CG2-CE1 4.13Å; I426-Y428 HydrophobicContact CG2-CE2 3.91Å
427	L	82.3	Confident	71.9	Confident	23 Å²	23	74.3 Å²	74.3	12%	0.12	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-92.3	130.8	172.8	-65.1	171.1	0	0	0	108.9	N342 T400 I419 N421	N342-L427 HydrophobicContact CB-CD1 3.7Å; N342-L427 VanDerWaalsContact CG-CD1 3.41Å; T400-L427 VanDerWaalsContact CB-O 3.27Å; T400-L427 WeakPolarHBondContact CB-O 3.3Å; T400-L427 PolarHBondContact OG1-O 2.97Å; I419-L427 PolarHBondContact O-N 3.45Å; N421-L427 HydrophobicContact CB-CD1 4.16Å; N421-L427 HydrophobicContact CB-CD2 4.14Å; N421-L427 HydrophobicContact CB-CG 4.14Å
428	Y	78.3	Confident	69.9	Low	121 Å²	121	78.6 Å²	78.6	48%	0.475	42%	0.419	S	S	.	.			trans	-107.4	160.7	176	-67.6	-80.1	0	0	0	111.3	G397 T400 I426 N430 D431	G397-Y428 CarbonylContact O-C 3.58Å; G397-Y428 VanDerWaalsContact O-C 3.23Å; T400-Y428 HydrophobicContact CG2-CD1 4.11Å; T400-Y428 HydrophobicContact CG2-CE1 4.09Å; I426-Y428 HydrophobicContact CB-CE2 4.07Å; I426-Y428 HydrophobicContact CG2-CD2 4.44Å; I426-Y428 HydrophobicContact CG2-CE1 4.13Å; I426-Y428 HydrophobicContact CG2-CE2 3.91Å; Y428-N430 PolarHBondContact O-N 2.86Å; Y428-D431 PolarHBondContact N-OD2 3.28Å; Y428-D431 PolarHBondContact O-N 3.29Å
429	P	70.4	Confident	68.3	Low	54 Å²	54	78.5 Å²	78.5	35%	0.351	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.3	-174.8	-28	34.4	0	0	0	116.1	G397 K398	G397-P429 WeakPolarHBondContact O-CD 3.34Å; K398-P429 WeakPolarHBondContact CE-O 3.45Å; K398-P429 HydrophobicContact CG-CB 4.16Å
430	N	64	Low	66.6	Low	127 Å²	127	80.3 Å²	80.3	68%	0.679	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-10.7	-177.9	-60.5	-14.7	0	0	0	113.8	Y428 D433	Y428-N430 PolarHBondContact O-N 2.86Å; N430-D433 PolarHBondContact O-N 2.82Å
431	D	58.1	Low	64.8	Low	66 Å²	66	83.6 Å²	83.6	35%	0.353	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.6	-178.9	-68.8	-47.1	0	0	0	111.3	Y428 D433 Q434	Y428-D431 PolarHBondContact N-OD2 3.28Å; Y428-D431 PolarHBondContact O-N 3.29Å; D431-D433 PolarHBondContact O-N 3.29Å; D431-Q434 WeakPolarHBondContact O-CB 3.37Å; D431-Q434 PolarHBondContact O-N 3.49Å
432	D	53.1	Low	63.4	Low	52 Å²	52	87.5 Å²	87.5	28%	0.278	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.4	176.2	-69.6	-30.3	0	0	0	112.4	K398 Q434 S435	K398-D432 WeakPolarHBondContact CE-OD2 3.47Å; D432-Q434 PolarHBondContact O-N 2.95Å; D432-S435 WeakPolarHBondContact O-CB 2.97Å; D432-S435 PolarHBondContact O-N 2.86Å; D432-S435 PolarHBondContact O-OG 2.87Å
433	D	51.2	Low	62.1	Low	86 Å²	86	90.3 Å²	90.3	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-71.4	-18.1	-177.1	-72.7	-1	0	0	0	112.4	K398 N430 D431 S435 F436 I437	K398-D433 IonicContact NZ-OD1 3.85Å; N430-D433 PolarHBondContact O-N 2.82Å; D431-D433 PolarHBondContact O-N 3.29Å; D433-S435 PolarHBondContact O-N 3.29Å; D433-F436 PolarHBondContact O-N 3.1Å; D433-F436 VanDerWaalsContact O-N 3.16Å; D433-I437 PolarHBondContact O-N 3.3Å; D433-I437 VanDerWaalsContact O-N 3.17Å
434	Q	49.7	Very low	60.7	Low	121 Å²	121	93.3 Å²	93.3	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-64.9	-26	167.4	-63.1	-165.8	26.3	0	0	112.1	D431 D432 F436 N438	D431-Q434 WeakPolarHBondContact O-CB 3.37Å; D431-Q434 PolarHBondContact O-N 3.49Å; D432-Q434 PolarHBondContact O-N 2.95Å; Q434-F436 VanDerWaalsContact C-N 3.33Å; Q434-N438 WeakPolarHBondContact O-CB 3.47Å; Q434-N438 PolarHBondContact O-N 3.13Å; Q434-N438 PolarHBondContact O-ND2 3.24Å
435	S	50.2	Low	59	Low	80 Å²	80	93.9 Å²	93.9	56%	0.559	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-35	173	77.7	0	0	0	0	111.8	D432 D433 N438 G439	D432-S435 WeakPolarHBondContact O-CB 2.97Å; D432-S435 PolarHBondContact O-N 2.86Å; D432-S435 PolarHBondContact O-OG 2.87Å; D433-S435 PolarHBondContact O-N 3.29Å; S435-N438 PolarHBondContact O-N 2.88Å; S435-G439 PolarHBondContact O-N 3.45Å
436	F	48	Very low	57.6	Low	170 Å²	170	91 Å²	91	75%	0.746	48%	0.484	S	S	*	.	H	α-helix	trans	-74	-37.1	178.1	-138.3	-82.4	0	0	0	111.8	D433 Q434 G439 A440	D433-F436 PolarHBondContact O-N 3.1Å; D433-F436 VanDerWaalsContact O-N 3.16Å; Q434-F436 VanDerWaalsContact C-N 3.33Å; F436-G439 PolarHBondContact O-N 3.45Å; F436-A440 WeakPolarHBondContact O-CB 3.29Å; F436-A440 PolarHBondContact O-N 2.92Å
437	I	51.5	Low	56	Low	99 Å²	99	94.5 Å²	94.5	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-43.8	171.4	-67.3	174.4	0	0	0	110.7	D433 A440 F441	D433-I437 PolarHBondContact O-N 3.3Å; D433-I437 VanDerWaalsContact O-N 3.17Å; I437-A440 PolarHBondContact O-N 2.88Å; I437-F441 HydrophobicContact CG2-CD2 3.79Å; I437-F441 HydrophobicContact CG2-CE2 3.6Å; I437-F441 VanDerWaalsContact O-CD2 3.24Å; I437-F441 WeakPolarHBondContact O-CD2 3.43Å; I437-F441 PolarHBondContact O-N 2.8Å
438	N	51.5	Low	54.7	Low	92 Å²	92	96.4 Å²	96.4	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-39	174.6	-75.6	-26.1	0	0	0	112.4	Q434 S435 A440 F441 I442	Q434-N438 WeakPolarHBondContact O-CB 3.47Å; Q434-N438 PolarHBondContact O-N 3.13Å; Q434-N438 PolarHBondContact O-ND2 3.24Å; S435-N438 PolarHBondContact O-N 2.88Å; N438-A440 VanDerWaalsContact C-N 3.33Å; N438-A440 PolarHBondContact O-N 3.48Å; N438-F441 PolarHBondContact O-N 3.33Å; N438-I442 VanDerWaalsContact O-CG1 3.31Å; N438-I442 WeakPolarHBondContact O-CG1 3.5Å; N438-I442 PolarHBondContact O-N 3.01Å
439	G	56.7	Low	53.6	Low	29 Å²	29	98.3 Å²	98.3	30%	0.299	54%	0.542	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.2	0	0	0	0	0	112.5	S435 F436 I442 L443	S435-G439 PolarHBondContact O-N 3.45Å; F436-G439 PolarHBondContact O-N 3.45Å; G439-I442 PolarHBondContact O-N 3.27Å; G439-L443 PolarHBondContact O-N 3.49Å
440	A	55	Low	53	Low	39 Å²	39	97.5 Å²	97.5	32%	0.322	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-44	171.4	0	0	0	0	0	112.2	F436 I437 N438 I442 L443 F444	F436-A440 WeakPolarHBondContact O-CB 3.29Å; F436-A440 PolarHBondContact O-N 2.92Å; I437-A440 PolarHBondContact O-N 2.88Å; N438-A440 VanDerWaalsContact C-N 3.33Å; N438-A440 PolarHBondContact O-N 3.48Å; A440-I442 VanDerWaalsContact C-N 3.27Å; A440-I442 PolarHBondContact O-N 2.88Å; A440-L443 PolarHBondContact O-N 2.87Å; A440-F444 WeakPolarHBondContact O-CD2 3.42Å; A440-F444 PolarHBondContact O-N 2.87Å
441	F	51.9	Low	52.8	Low	94 Å²	94	98.2 Å²	98.2	41%	0.412	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-33	175.5	-83.5	-62.1	0	0	0	113.5	I437 N438 G445 M446	I437-F441 HydrophobicContact CG2-CD2 3.79Å; I437-F441 HydrophobicContact CG2-CE2 3.6Å; I437-F441 VanDerWaalsContact O-CD2 3.24Å; I437-F441 WeakPolarHBondContact O-CD2 3.43Å; I437-F441 PolarHBondContact O-N 2.8Å; N438-F441 PolarHBondContact O-N 3.33Å; F441-G445 PolarHBondContact O-N 2.97Å; F441-M446 HydrophobicContact CD1-CB 4.06Å; F441-M446 HydrophobicContact CD1-CG 4.31Å; F441-M446 HydrophobicContact CD1-SD 3.84Å; F441-M446 HydrophobicContact CE1-SD 3.84Å; F441-M446 PolarHBondContact O-N 2.76Å
442	I	57.2	Low	53.4	Low	137 Å²	137	100.9 Å²	100.9	70%	0.703	55%	0.548	S	S	*	.	H	α-helix	trans	-70.4	-46	173.4	-68.9	164.2	0	0	0	110.5	N438 G439 A440 F444 G445	N438-I442 VanDerWaalsContact O-CG1 3.31Å; N438-I442 WeakPolarHBondContact O-CG1 3.5Å; N438-I442 PolarHBondContact O-N 3.01Å; G439-I442 PolarHBondContact O-N 3.27Å; A440-I442 VanDerWaalsContact C-N 3.27Å; A440-I442 PolarHBondContact O-N 2.88Å; I442-F444 VanDerWaalsContact C-N 3.28Å; I442-F444 PolarHBondContact O-N 3.45Å; I442-G445 PolarHBondContact O-N 2.79Å; I442-G445 VanDerWaalsContact O-N 3.08Å
443	L	53.6	Low	54.5	Low	153 Å²	153	107.8 Å²	107.8	80%	0.801	57%	0.57	S	S	*	*	H	α-helix	trans	-63.1	-30.5	175.6	-89.8	162.3	0	0	0	113.5	G439 A440	G439-L443 PolarHBondContact O-N 3.49Å; A440-L443 PolarHBondContact O-N 2.87Å
444	F	50.3	Low	55.7	Low	169 Å²	169	107.5 Å²	107.5	74%	0.741	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	10.3	174.1	-70.5	-64.1	0	0	0	114.1	A440 I442 M446	A440-F444 WeakPolarHBondContact O-CD2 3.42Å; A440-F444 PolarHBondContact O-N 2.87Å; I442-F444 VanDerWaalsContact C-N 3.28Å; I442-F444 PolarHBondContact O-N 3.45Å; F444-M446 VanDerWaalsContact C-N 3.25Å; F444-M446 HydrophobicContact CB-CG 4.35Å; F444-M446 WeakPolarHBondContact O-CG 3.41Å; F444-M446 PolarHBondContact O-N 2.87Å; F444-M446 VanDerWaalsContact O-N 3.15Å
445	G	43.6	Very low	57.2	Low	58 Å²	58	109.1 Å²	109.1	60%	0.598	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	22.3	167.6	0	0	0	0	0	115.7	F441 I442 N447	F441-G445 PolarHBondContact O-N 2.97Å; I442-G445 PolarHBondContact O-N 2.79Å; I442-G445 VanDerWaalsContact O-N 3.08Å; G445-N447 VanDerWaalsContact C-N 3.3Å; G445-N447 PolarHBondContact O-N 3.47Å
446	M	52.7	Low	58.8	Low	79 Å²	79	107.6 Å²	107.6	39%	0.389	56%	0.562	S	S	.	*			trans	-81.7	70.2	-169.9	-65	-163.6	71.7	0	0	112.8	F441 F444 T450	F441-M446 HydrophobicContact CD1-CB 4.06Å; F441-M446 HydrophobicContact CD1-CG 4.31Å; F441-M446 HydrophobicContact CD1-SD 3.84Å; F441-M446 HydrophobicContact CE1-SD 3.84Å; F441-M446 PolarHBondContact O-N 2.76Å; F444-M446 VanDerWaalsContact C-N 3.25Å; F444-M446 HydrophobicContact CB-CG 4.35Å; F444-M446 WeakPolarHBondContact O-CG 3.41Å; F444-M446 PolarHBondContact O-N 2.87Å; F444-M446 VanDerWaalsContact O-N 3.15Å; M446-T450 HydrophobicContact CB-CG2 4.13Å; M446-T450 HydrophobicContact CE-CG2 3.77Å; M446-T450 PolarHBondContact O-OG1 2.92Å
447	N	45.8	Very low	60.7	Low	135 Å²	135	101.1 Å²	101.1	72%	0.722	54%	0.543	S	S	*	.			trans	-52.6	151.5	174.9	-89.2	-29.4	0	0	0	113	G445 Q449 T450	G445-N447 VanDerWaalsContact C-N 3.3Å; G445-N447 PolarHBondContact O-N 3.47Å; N447-Q449 PolarHBondContact O-N 3.33Å; N447-T450 WeakPolarHBondContact O-CG2 3.44Å; N447-T450 PolarHBondContact O-N 2.88Å; N447-T450 PolarHBondContact O-OG1 3.46Å
448	G	56.9	Low	62.5	Low	64 Å²	64	101 Å²	101	66%	0.66	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14	-161.4	0	0	0	0	0	118.1	T450 K451	G448-T450 PolarHBondContact O-N 3.35Å; G448-K451 PolarHBondContact O-N 3.44Å
449	Q	54.3	Low	64.2	Low	160 Å²	160	99.2 Å²	99.2	75%	0.748	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	169	-72.5	178.8	-38	0	0	112.6	N447 K451 N452	N447-Q449 PolarHBondContact O-N 3.33Å; Q449-K451 VanDerWaalsContact C-N 3.29Å; Q449-K451 PolarHBondContact O-N 2.88Å; Q449-N452 PolarHBondContact O-N 3.43Å
450	T	57.5	Low	65.9	Low	38 Å²	38	103 Å²	103	23%	0.233	55%	0.554	C	S	.	*	H	α-helix	trans	-62.7	-27.1	-178.8	52.7	0	0	0	0	114.3	M446 N447 G448 N452 W453 I454	M446-T450 HydrophobicContact CB-CG2 4.13Å; M446-T450 HydrophobicContact CE-CG2 3.77Å; M446-T450 PolarHBondContact O-OG1 2.92Å; N447-T450 WeakPolarHBondContact O-CG2 3.44Å; N447-T450 PolarHBondContact O-N 2.88Å; N447-T450 PolarHBondContact O-OG1 3.46Å; G448-T450 PolarHBondContact O-N 3.35Å; T450-N452 VanDerWaalsContact C-N 3.28Å; T450-N452 PolarHBondContact O-N 2.96Å; T450-W453 PolarHBondContact O-N 2.89Å; T450-W453 VanDerWaalsContact O-N 3.11Å; T450-I454 WeakPolarHBondContact O-CG1 3.46Å; T450-I454 PolarHBondContact O-N 2.83Å
451	K	59	Low	67.7	Low	141 Å²	141	105.7 Å²	105.7	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-58.2	-40.7	173.4	-93.6	-175.4	174.9	177.6	0	112	G448 Q449 W453 I454 Y455	G448-K451 PolarHBondContact O-N 3.44Å; Q449-K451 VanDerWaalsContact C-N 3.29Å; Q449-K451 PolarHBondContact O-N 2.88Å; K451-W453 VanDerWaalsContact C-N 3.33Å; K451-W453 PolarHBondContact O-N 3.2Å; K451-I454 PolarHBondContact O-N 2.9Å; K451-Y455 WeakPolarHBondContact O-CD2 3.44Å; K451-Y455 PolarHBondContact O-N 2.95Å
452	N	71.2	Confident	69.6	Low	123 Å²	123	104.6 Å²	104.6	66%	0.658	57%	0.567	S	S	*	*	H	α-helix	trans	-67	-35.8	177.8	-67.8	-0.2	0	0	0	111.5	Q449 T450 A456	Q449-N452 PolarHBondContact O-N 3.43Å; T450-N452 VanDerWaalsContact C-N 3.28Å; T450-N452 PolarHBondContact O-N 2.96Å; N452-A456 VanDerWaalsContact O-CB 3.23Å; N452-A456 WeakPolarHBondContact O-CB 3.4Å; N452-A456 PolarHBondContact O-N 2.87Å
453	W	77.2	Confident	71.3	Confident	197 Å²	197	102.7 Å²	102.7	75%	0.746	56%	0.557	S	S	*	*	H	α-helix	trans	-69.1	-34.8	173.9	-71.9	100.4	0	0	0	113	T450 K451 G457	T450-W453 PolarHBondContact O-N 2.89Å; T450-W453 VanDerWaalsContact O-N 3.11Å; K451-W453 VanDerWaalsContact C-N 3.33Å; K451-W453 PolarHBondContact O-N 3.2Å; W453-G457 PolarHBondContact O-N 2.94Å
454	I	76.7	Confident	73.2	Confident	79 Å²	79	102.5 Å²	102.5	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-66.2	-47.8	173.4	-67.6	165.2	0	0	0	110.4	T450 K451 A456 G457 I458	T450-I454 WeakPolarHBondContact O-CG1 3.46Å; T450-I454 PolarHBondContact O-N 2.83Å; K451-I454 PolarHBondContact O-N 2.9Å; I454-A456 PolarHBondContact O-N 3.32Å; I454-G457 PolarHBondContact O-N 2.88Å; I454-I458 HydrophobicContact CG2-CD1 3.92Å; I454-I458 WeakPolarHBondContact O-CG1 3.43Å; I454-I458 PolarHBondContact O-N 3.45Å
455	Y	80.9	Confident	75.3	Confident	155 Å²	155	98.3 Å²	98.3	61%	0.608	54%	0.538	S	S	*	.	H	α-helix	trans	-64.3	-38.5	175.9	-70.9	-60	0	0	0	112.5	K451 I458 A459	K451-Y455 WeakPolarHBondContact O-CD2 3.44Å; K451-Y455 PolarHBondContact O-N 2.95Å; Y455-I458 PolarHBondContact O-N 3.28Å; Y455-A459 WeakPolarHBondContact O-CB 3.49Å; Y455-A459 PolarHBondContact O-N 2.91Å
456	A	83	Confident	77.7	Confident	49 Å²	49	99.8 Å²	99.8	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-41.5	172.9	0	0	0	0	0	112	N452 I454 A459 L460	N452-A456 VanDerWaalsContact O-CB 3.23Å; N452-A456 WeakPolarHBondContact O-CB 3.4Å; N452-A456 PolarHBondContact O-N 2.87Å; I454-A456 PolarHBondContact O-N 3.32Å; A456-A459 PolarHBondContact O-N 3.44Å; A456-L460 WeakPolarHBondContact O-CB 3.35Å; A456-L460 PolarHBondContact O-N 3.2Å
457	G	87.7	Confident	79.6	Confident	34 Å²	34	100.6 Å²	100.6	35%	0.351	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-45	175.2	0	0	0	0	0	112.8	W453 I454 A459 L460 V461	W453-G457 PolarHBondContact O-N 2.94Å; I454-G457 PolarHBondContact O-N 2.88Å; G457-A459 PolarHBondContact O-N 3.27Å; G457-L460 PolarHBondContact O-N 3.01Å; G457-V461 WeakPolarHBondContact O-CG2 3.25Å; G457-V461 PolarHBondContact O-N 3.37Å
458	I	88.9	Confident	81.8	Confident	96 Å²	96	96.7 Å²	96.7	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174.3	-67.2	166.1	0	0	0	110.3	I454 Y455 L460 V461 T462	I454-I458 HydrophobicContact CG2-CD1 3.92Å; I454-I458 WeakPolarHBondContact O-CG1 3.43Å; I454-I458 PolarHBondContact O-N 3.45Å; Y455-I458 PolarHBondContact O-N 3.28Å; I458-L460 PolarHBondContact O-N 2.96Å; I458-V461 PolarHBondContact O-N 3.08Å; I458-T462 HydrophobicContact CG2-CG2 4.44Å; I458-T462 WeakPolarHBondContact O-CG2 3.4Å; I458-T462 PolarHBondContact O-N 2.87Å; I458-T462 PolarHBondContact O-OG1 2.88Å; I458-T462 VanDerWaalsContact O-OG1 3.12Å
459	A	88	Confident	83.5	Confident	54 Å²	54	98.9 Å²	98.9	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-60	-43.6	175.9	0	0	0	0	0	112	Y455 A456 G457 T462 L463	Y455-A459 WeakPolarHBondContact O-CB 3.49Å; Y455-A459 PolarHBondContact O-N 2.91Å; A456-A459 PolarHBondContact O-N 3.44Å; G457-A459 PolarHBondContact O-N 3.27Å; A459-T462 WeakPolarHBondContact CA-OG1 3.48Å; A459-T462 PolarHBondContact O-N 3.49Å; A459-T462 PolarHBondContact O-OG1 3.24Å; A459-L463 WeakPolarHBondContact O-CB 3.39Å; A459-L463 PolarHBondContact O-N 2.85Å
460	L	91.8	Very high	85.2	Confident	109 Å²	109	95.6 Å²	95.6	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-63	-43.3	176.9	-123.7	167.9	0	0	0	112.2	A456 G457 I458 L463 F464	A456-L460 WeakPolarHBondContact O-CB 3.35Å; A456-L460 PolarHBondContact O-N 3.2Å; G457-L460 PolarHBondContact O-N 3.01Å; I458-L460 PolarHBondContact O-N 2.96Å; L460-L463 PolarHBondContact O-N 2.91Å; L460-F464 PolarHBondContact O-N 2.92Å
461	V	92.5	Very high	86.6	Confident	95 Å²	95	95.6 Å²	95.6	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-66.4	-44.3	176.4	172.1	0	0	0	0	111.2	G457 I458 L463 F464 V465	G457-V461 WeakPolarHBondContact O-CG2 3.25Å; G457-V461 PolarHBondContact O-N 3.37Å; I458-V461 PolarHBondContact O-N 3.08Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.34Å; V461-F464 PolarHBondContact O-N 2.74Å; V461-V465 WeakPolarHBondContact O-CG2 3.48Å; V461-V465 PolarHBondContact O-N 2.6Å
462	T	92.1	Very high	87.9	Confident	72 Å²	72	93.8 Å²	93.8	44%	0.442	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.3	55.4	0	0	0	0	112.3	I458 A459 V465 I466	I458-T462 HydrophobicContact CG2-CG2 4.44Å; I458-T462 WeakPolarHBondContact O-CG2 3.4Å; I458-T462 PolarHBondContact O-N 2.87Å; I458-T462 PolarHBondContact O-OG1 2.88Å; I458-T462 VanDerWaalsContact O-OG1 3.12Å; A459-T462 WeakPolarHBondContact CA-OG1 3.48Å; A459-T462 PolarHBondContact O-N 3.49Å; A459-T462 PolarHBondContact O-OG1 3.24Å; T462-V465 PolarHBondContact O-N 2.94Å; T462-I466 WeakPolarHBondContact O-CB 3.36Å; T462-I466 WeakPolarHBondContact O-CD1 3.26Å; T462-I466 VanDerWaalsContact O-CG1 3.24Å; T462-I466 WeakPolarHBondContact O-CG1 3.45Å; T462-I466 PolarHBondContact O-N 3.28Å
463	L	93.3	Very high	88.4	Confident	96 Å²	96	89.5 Å²	89.5	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-43.7	172.6	-178.1	66.2	0	0	0	111.1	A459 L460 V461 I466 L467	A459-L463 WeakPolarHBondContact O-CB 3.39Å; A459-L463 PolarHBondContact O-N 2.85Å; L460-L463 PolarHBondContact O-N 2.91Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.34Å; L463-I466 PolarHBondContact O-N 3.15Å; L463-L467 HydrophobicContact CD1-CD1 4.39Å; L463-L467 HydrophobicContact CD1-CG 4.47Å; L463-L467 HydrophobicContact CG-CD1 4.07Å; L463-L467 WeakPolarHBondContact O-CB 3.2Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.32Å; L463-L467 PolarHBondContact O-N 2.97Å
464	F	94	Very high	88.6	Confident	150 Å²	150	85 Å²	85	66%	0.658	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-39.9	177	-126.2	-81.4	0	0	0	112.6	L460 V461 L467 A468	L460-F464 PolarHBondContact O-N 2.92Å; V461-F464 PolarHBondContact O-N 2.74Å; F464-L467 PolarHBondContact O-N 2.87Å; F464-A468 WeakPolarHBondContact O-CB 3.44Å; F464-A468 PolarHBondContact O-N 2.86Å
465	V	94	Very high	88.4	Confident	80 Å²	80	89.2 Å²	89.2	49%	0.485	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-42.2	174.7	171.3	0	0	0	0	111.2	V461 T462 A468 L469	V461-V465 WeakPolarHBondContact O-CG2 3.48Å; V461-V465 PolarHBondContact O-N 2.6Å; T462-V465 PolarHBondContact O-N 2.94Å; V465-A468 PolarHBondContact O-N 3.36Å; V465-L469 HydrophobicContact CG1-CD1 3.98Å; V465-L469 HydrophobicContact CG1-CG 4.45Å; V465-L469 WeakPolarHBondContact O-CB 3.41Å; V465-L469 VanDerWaalsContact O-CG 3.3Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 3.48Å
466	I	93.7	Very high	88	Confident	90 Å²	90	86.5 Å²	86.5	46%	0.462	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.7	-70.9	164	0	0	0	110.7	T462 L463 A468 L469 I470	T462-I466 WeakPolarHBondContact O-CB 3.36Å; T462-I466 WeakPolarHBondContact O-CD1 3.26Å; T462-I466 VanDerWaalsContact O-CG1 3.24Å; T462-I466 WeakPolarHBondContact O-CG1 3.45Å; T462-I466 PolarHBondContact O-N 3.28Å; L463-I466 PolarHBondContact O-N 3.15Å; I466-A468 PolarHBondContact O-N 3.08Å; I466-L469 PolarHBondContact O-N 3.38Å; I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.49Å; I466-I470 WeakPolarHBondContact O-CB 3.22Å; I466-I470 VanDerWaalsContact O-CG1 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.24Å; I466-I470 PolarHBondContact O-N 2.9Å
467	L	93.7	Very high	87.3	Confident	96 Å²	96	89.4 Å²	89.4	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-38.1	176	-71.8	171	0	0	0	112.3	L463 F464 I470 G471	L463-L467 HydrophobicContact CD1-CD1 4.39Å; L463-L467 HydrophobicContact CD1-CG 4.47Å; L463-L467 HydrophobicContact CG-CD1 4.07Å; L463-L467 WeakPolarHBondContact O-CB 3.2Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.32Å; L463-L467 PolarHBondContact O-N 2.97Å; F464-L467 PolarHBondContact O-N 2.87Å; L467-I470 PolarHBondContact O-N 3.46Å; L467-G471 PolarHBondContact O-N 3.19Å
468	A	92.1	Very high	86	Confident	52 Å²	52	92.2 Å²	92.2	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-41.8	173.9	0	0	0	0	0	112.1	F464 V465 I466 G471 I472	F464-A468 WeakPolarHBondContact O-CB 3.44Å; F464-A468 PolarHBondContact O-N 2.86Å; V465-A468 PolarHBondContact O-N 3.36Å; I466-A468 PolarHBondContact O-N 3.08Å; A468-G471 PolarHBondContact O-N 2.92Å; A468-I472 VanDerWaalsContact O-CG1 3.29Å; A468-I472 WeakPolarHBondContact O-CG1 3.31Å; A468-I472 PolarHBondContact O-N 3.45Å
469	L	91.8	Very high	83.9	Confident	110 Å²	110	94.8 Å²	94.8	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-66.2	-37	175.2	-72.3	170.4	0	0	0	112.3	V465 I466 G473	V465-L469 HydrophobicContact CG1-CD1 3.98Å; V465-L469 HydrophobicContact CG1-CG 4.45Å; V465-L469 WeakPolarHBondContact O-CB 3.41Å; V465-L469 VanDerWaalsContact O-CG 3.3Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 3.48Å; I466-L469 PolarHBondContact O-N 3.38Å; L469-G473 PolarHBondContact O-N 2.8Å
470	I	91.1	Very high	81.6	Confident	91 Å²	91	96.9 Å²	96.9	47%	0.467	56%	0.556	S	S	.	*	H	α-helix	trans	-66.3	-42.8	172	-69.5	165.8	0	0	0	110.4	I466 L467 G473 I474	I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.49Å; I466-I470 WeakPolarHBondContact O-CB 3.22Å; I466-I470 VanDerWaalsContact O-CG1 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.24Å; I466-I470 PolarHBondContact O-N 2.9Å; L467-I470 PolarHBondContact O-N 3.46Å; I470-G473 PolarHBondContact O-N 2.89Å; I470-I474 HydrophobicContact CG2-CD1 3.84Å; I470-I474 HydrophobicContact CG2-CG1 4.46Å; I470-I474 VanDerWaalsContact O-CG1 3.32Å; I470-I474 WeakPolarHBondContact O-CG1 3.16Å; I470-I474 PolarHBondContact O-N 3.15Å
471	G	86.7	Confident	79.4	Confident	39 Å²	39	99.8 Å²	99.8	40%	0.402	57%	0.566	S	S	.	*	H	α-helix	trans	-60.8	-44.8	175.7	0	0	0	0	0	112.9	L467 A468 I474 F475	L467-G471 PolarHBondContact O-N 3.19Å; A468-G471 PolarHBondContact O-N 2.92Å; G471-I474 PolarHBondContact O-N 3.18Å; G471-F475 WeakPolarHBondContact O-CB 3.36Å; G471-F475 PolarHBondContact O-N 2.77Å
472	I	86.5	Confident	77	Confident	102 Å²	102	101.1 Å²	101.1	52%	0.523	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-42.5	173.3	-68	164.2	0	0	0	110.5	A468 I474 F475 C476	A468-I472 VanDerWaalsContact O-CG1 3.29Å; A468-I472 WeakPolarHBondContact O-CG1 3.31Å; A468-I472 PolarHBondContact O-N 3.45Å; I472-I474 PolarHBondContact O-N 2.73Å; I472-F475 PolarHBondContact O-N 2.79Å; I472-C476 WeakPolarHBondContact O-CB 3.22Å; I472-C476 PolarHBondContact O-N 2.97Å; I472-C476 PolarHBondContact O-SG 3.48Å; I472-C476 VanDerWaalsContact O-SG 3.36Å
473	G	81.7	Confident	74.2	Confident	33 Å²	33	108.4 Å²	108.4	34%	0.34	59%	0.594	S	S	.	*	H	α-helix	trans	-59.5	-43.8	176.3	0	0	0	0	0	113	L469 I470 C477	L469-G473 PolarHBondContact O-N 2.8Å; I470-G473 PolarHBondContact O-N 2.89Å; G473-C477 WeakPolarHBondContact O-CB 3.45Å; G473-C477 PolarHBondContact O-N 3.46Å; G473-C477 VanDerWaalsContact O-N 3.1Å; G473-C477 PolarHBondContact O-SG 2.75Å
474	I	80	Confident	71.5	Confident	103 Å²	103	108.2 Å²	108.2	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-65.1	-44.8	174.4	-67.9	165.8	0	0	0	110.4	I470 G471 I472 C476 C477 C478	I470-I474 HydrophobicContact CG2-CD1 3.84Å; I470-I474 HydrophobicContact CG2-CG1 4.46Å; I470-I474 VanDerWaalsContact O-CG1 3.32Å; I470-I474 WeakPolarHBondContact O-CG1 3.16Å; I470-I474 PolarHBondContact O-N 3.15Å; G471-I474 PolarHBondContact O-N 3.18Å; I472-I474 PolarHBondContact O-N 2.73Å; I474-C476 PolarHBondContact O-N 3.39Å; I474-C477 PolarHBondContact O-N 3.15Å; I474-C477 VanDerWaalsContact O-N 3.15Å; I474-C478 VanDerWaalsContact O-CB 3.29Å; I474-C478 WeakPolarHBondContact O-CB 3.44Å; I474-C478 PolarHBondContact O-N 3.47Å; I474-C478 PolarHBondContact O-SG 3.44Å; I474-C478 VanDerWaalsContact O-SG 3.34Å
475	F	73.5	Confident	68.9	Low	167 Å²	167	105.5 Å²	105.5	73%	0.732	60%	0.6	S	S	*	*	H	α-helix	trans	-61.5	-44	178.3	-165.4	-97.1	0	0	0	112	G471 I472 C477 C478	G471-F475 WeakPolarHBondContact O-CB 3.36Å; G471-F475 PolarHBondContact O-N 2.77Å; I472-F475 PolarHBondContact O-N 2.79Å; F475-C477 VanDerWaalsContact C-N 3.26Å; F475-C477 PolarHBondContact O-N 2.64Å; F475-C478 PolarHBondContact O-N 3.35Å
476	C	71.2	Confident	66.2	Low	99 Å²	99	108.7 Å²	108.7	67%	0.669	62%	0.615	S	S	*	*	H	α-helix	trans	-70	-16.2	176	-69.1	0	0	0	0	114.3	I472 I474	I472-C476 WeakPolarHBondContact O-CB 3.22Å; I472-C476 PolarHBondContact O-N 2.97Å; I472-C476 PolarHBondContact O-SG 3.48Å; I472-C476 VanDerWaalsContact O-SG 3.36Å; I474-C476 PolarHBondContact O-N 3.39Å
477	C	69.5	Low	63.5	Low	110 Å²	110	110.8 Å²	110.8	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-6.4	172.7	-68.3	0	0	0	0	113.5	G473 I474 F475	G473-C477 WeakPolarHBondContact O-CB 3.45Å; G473-C477 PolarHBondContact O-N 3.46Å; G473-C477 VanDerWaalsContact O-N 3.1Å; G473-C477 PolarHBondContact O-SG 2.75Å; I474-C477 PolarHBondContact O-N 3.15Å; I474-C477 VanDerWaalsContact O-N 3.15Å; F475-C477 VanDerWaalsContact C-N 3.26Å; F475-C477 PolarHBondContact O-N 2.64Å
478	C	59.4	Low	60.8	Low	92 Å²	92	111.6 Å²	111.6	62%	0.622	65%	0.645	S	S	*	*	S	Bend	trans	-130.3	35.3	-163.1	-70.5	0	0	0	0	115.1	I474 F475	I474-C478 VanDerWaalsContact O-CB 3.29Å; I474-C478 WeakPolarHBondContact O-CB 3.44Å; I474-C478 PolarHBondContact O-N 3.47Å; I474-C478 PolarHBondContact O-SG 3.44Å; I474-C478 VanDerWaalsContact O-SG 3.34Å; F475-C478 PolarHBondContact O-N 3.35Å
479	D	44.8	Very low	58.3	Low	151 Å²	151	115 Å²	115	81%	0.807	66%	0.661	S	S	*	*			trans	-154.2	132.1	151.6	-132.5	-14	0	0	0	112.4
480	P	39.7	Very low	55.7	Low	98 Å²	98	116.6 Å²	116.6	64%	0.636	67%	0.67	S	S	*	*			trans	-106.6	162.5	-176.6	39.5	-33.5	0	0	0	114.8
481	H	47.2	Very low	53.1	Low	169 Å²	169	119.6 Å²	119.6	78%	0.782	69%	0.686	S	S	*	*			trans	74.8	130.8	160.6	-76.1	-70.9	0	0	0	121.2
482	T	40.3	Very low	50.9	Low	124 Å²	124	126.2 Å²	126.2	76%	0.761	71%	0.707	S	S	*	*			trans	72.6	144.6	148.2	53.8	0	0	0	0	119.9
483	R	34.4	Very low	48.7	Very low	225 Å²	225	126.7 Å²	126.7	85%	0.849	71%	0.714	S	S	*	*			cis	-163.2	163.4	-17.9	-175.7	164	-176.3	170.2	0.4	109.8
484	S	35.7	Very low	46.7	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	73%	0.733	S	S	*	*			trans	-47.4	165.1	171.1	61.6	0	0	0	0	115
485	S	40.2	Very low	44.7	Very low	93 Å²	93	136 Å²	136	65%	0.65	75%	0.75	S	S	*	*			cis	-167.2	143.9	36.1	50.3	0	0	0	0	116
486	D	37.1	Very low	42.9	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	75%	0.753	S	S	*	*			trans	35.1	129.9	133.8	-41.9	-43.5	0	0	0	123.3
487	T	37.8	Very low	41.3	Very low	135 Å²	135	135.3 Å²	135.3	83%	0.828	76%	0.76	S	S	*	*				-165.6	139.3	120.3	13.7	0	0	0	0	111.6
488	S	36.6	Very low	39.7	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	76%	0.758	S	S	*	*			trans	43.9	120.2	165.4	60	0	0	0	0	118.9
489	T	38.2	Very low	38.5	Very low	125 Å²	125	139 Å²	139	77%	0.767	76%	0.763	S	S	*	*			cis	-151.5	142.9	39.1	46.7	0	0	0	0	114.1
490	D	38.4	Very low	38	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	76%	0.762	S	S	*	*			trans	54.4	115	152.9	-60.6	-14.2	0	0	0	122.8
491	L	36.6	Very low	37.9	Very low	153 Å²	153	140.7 Å²	140.7	80%	0.801	77%	0.767	S	S	*	*			trans	54.2	106.1	151.8	-74.6	79	0	0	0	117.7
492	Q	40.3	Very low	37.1	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	75%	0.75	S	S	*	*			cis	59	135.2	42.6	-58.3	-158.8	-9.2	0	0	114
493	V	39.6	Very low	37.1	Very low	113 Å²	113	134 Å²	134	69%	0.685	74%	0.743	S	S	*	*			cis	-160.6	157.9	8.1	106.1	0	0	0	0	114.3
494	L	39.3	Very low	37.5	Very low	140 Å²	140	126.3 Å²	126.3	73%	0.733	72%	0.721	S	S	*	*			trans	48.3	128.5	162.4	-90.9	62.5	0	0	0	124
495	H	37.9	Very low	37.7	Very low	191 Å²	191	129 Å²	129	88%	0.884	73%	0.726	S	S	*	*				10.8	139.7	123.5	-68.9	-72.3	0	0	0	121.2
496	G	35.6	Very low	37.7	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	73%	0.726	S	S	*	*			trans	-178.5	130.2	154.6	0	0	0	0	0	111.8
497	E	39.1	Very low	37.7	Very low	175 Å²	175	132.1 Å²	132.1	82%	0.818	73%	0.726	S	S	*	*			trans	-81	164.7	-174.9	-51.4	-179.8	134.7	0	0	114.2
498	N	36	Very low	37.8	Very low	129 Å²	129	131.3 Å²	131.3	69%	0.69	73%	0.726	S	S	*	*			trans	73.2	121.9	149.9	-69.1	-49.4	0	0	0	121.7
499	M	33.3	Very low	37.8	Very low	151 Å²	151	129.6 Å²	129.6	74%	0.744	73%	0.726	S	S	*	*			trans	60.5	112.2	144.6	-65.4	-145.6	-174	0	0	122.8
500	K	34.5	Very low	38	Very low	180 Å²	180	128.7 Å²	128.7	78%	0.783	73%	0.725	S	S	*	*			trans	80.2	145.7	136.1	-64.1	172.6	179.8	173	0	120.2
501	S	36.9	Very low	37.9	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	73%	0.725	S	S	*	*			trans	58.8	101.8	159.6	52.1	0	0	0	0	121.1
502	C	31.1	Very low	37.8	Very low	65 Å²	65	127 Å²	127	44%	0.439	72%	0.722	S	S	.	*				56.7	120.9	117.8	-57.6	0	0	0	0	120.8	P523 H524	C502-P523 CarbonylContact C-O 3.26Å; C502-P523 WeakPolarHBondContact CA-O 3.46Å; C502-H524 HydrophobicContact CB-CB 3.85Å
503	S	40.9	Very low	37.5	Very low	88 Å²	88	128.8 Å²	128.8	62%	0.615	72%	0.721	S	S	*	*			trans	173.2	113.4	178.5	78.5	0	0	0	0	112.2	P523 H524	S503-P523 CarbonylContact C-O 3.58Å; S503-P523 PolarHBondContact N-O 3.29Å; S503-H524 CarbonylContact C-O 3.51Å; S503-H524 WeakPolarHBondContact CB-O 3.38Å
504	T	42.1	Very low	37.3	Very low	63 Å²	63	134 Å²	134	39%	0.387	73%	0.729	S	S	.	*			trans	-153.3	177.2	179.5	55.8	0	0	0	0	114.8	N522 P523 H524 H525	T504-N522 WeakPolarHBondContact CG2-O 3.28Å; T504-P523 VanDerWaalsContact CG2-CA 3.41Å; T504-P523 VanDerWaalsContact OG1-C 3.3Å; T504-H524 PolarHBondContact N-O 2.77Å; T504-H524 PolarHBondContact OG1-N 2.84Å; T504-H524 PolarHBondContact OG1-O 3.47Å; T504-H525 VanDerWaalsContact O-O 3.13Å
505	M	39.4	Very low	37	Very low	148 Å²	148	139 Å²	139	73%	0.729	74%	0.738	S	S	*	*				137.1	99.6	127	-151.6	-175.4	169.8	0	0	115.2
506	N	40.7	Very low	36.7	Very low	123 Å²	123	139.1 Å²	139.1	66%	0.658	74%	0.736	S	S	*	*			trans	75.4	139.2	142.5	-95.4	-40.7	0	0	0	125.4
507	K	38.3	Very low	36.5	Very low	182 Å²	182	144.1 Å²	144.1	79%	0.791	74%	0.736	S	S	*	*			trans	71.4	133.7	145.9	-70.5	176.4	-179.8	-173.2	0	118.5
508	S	39.5	Very low	36	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	73%	0.729	S	S	*	*			cis	177	158.6	17.2	41.7	0	0	0	0	111.7
509	G	36.8	Very low	35.9	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	73%	0.729	S	S	*	*			trans	90.1	149	164.9	0	0	0	0	0	116.1
510	S	41.5	Very low	35.9	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	73%	0.73	S	S	*	*			cis	-162.3	171.4	-13.3	69.3	0	0	0	0	111.9
511	I	37.6	Very low	35.9	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	73%	0.727	S	S	*	*			trans	79.8	117.8	159.5	-64.5	165.5	0	0	0	119.9
512	C	32.9	Very low	35.8	Very low	109 Å²	109	142.3 Å²	142.3	74%	0.736	73%	0.727	S	S	*	*			trans	64.1	103	151.1	-77	0	0	0	0	125
513	R	35.1	Very low	36.2	Very low	215 Å²	215	141.7 Å²	141.7	81%	0.811	72%	0.722	S	S	*	*			trans	86.7	94.2	132.3	-69.4	-170.6	171.1	-169.1	-1.7	121
514	R	35.1	Very low	36	Very low	222 Å²	222	143 Å²	143	84%	0.838	72%	0.719	S	S	*	*			trans	69.4	114.1	137.4	-60.2	178.8	174.5	-180	-3.7	118.3
515	R	31.9	Very low	35.9	Very low	247 Å²	247	143.7 Å²	143.7	93%	0.932	72%	0.718	S	S	*	*			cis	-164.1	98	-41.7	-116.8	-174.4	178.7	177.3	-0.3	104.7
516	F	33.3	Very low	36	Very low	193 Å²	193	143.4 Å²	143.4	85%	0.846	71%	0.714	S	S	*	*			trans	-70	152.6	-179.3	-79.8	-114.3	0	0	0	110.5
517	K	30.3	Very low	35.9	Very low	181 Å²	181	146 Å²	146	79%	0.787	72%	0.719	S	S	*	*			cis	74.8	112.3	44	-122.9	-158	179.4	-175.2	0	114.9
518	C	28.6	Very low	35.7	Very low	98 Å²	98	146 Å²	146	66%	0.662	72%	0.719	S	S	*	*			trans	81.5	113.4	145.2	-68.2	0	0	0	0	124.2
519	I	33.7	Very low	35.6	Very low	134 Å²	134	146 Å²	146	69%	0.687	71%	0.714	S	S	*	*				45.6	136.9	125.7	-19.5	176.3	0	0	0	122.9
520	Y	34.1	Very low	35.6	Very low	196 Å²	196	151.3 Å²	151.3	77%	0.769	72%	0.716	S	S	*	*			trans	124.3	106.2	138.7	-82.1	-65.7	0	0	0	121.2
521	N	34.8	Very low	35.4	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	71%	0.714	S	S	*	*			trans	35.4	141.7	137.8	-60.4	-0.2	0	0	0	126.6
522	N	34.4	Very low	35.4	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	71%	0.71	S	S	*	*			trans	93.8	154.9	140.7	-94.3	-9.7	0	0	0	121.3	T504	T504-N522 WeakPolarHBondContact CG2-O 3.28Å
523	P	39.2	Very low	35.4	Very low	52 Å²	52	153.1 Å²	153.1	34%	0.338	71%	0.708	S	S	.	*				-140.3	174.6	-116.3	43.6	-25.7	0	0	0	120.2	C502 S503 T504	C502-P523 CarbonylContact C-O 3.26Å; C502-P523 WeakPolarHBondContact CA-O 3.46Å; S503-P523 CarbonylContact C-O 3.58Å; S503-P523 PolarHBondContact N-O 3.29Å; T504-P523 VanDerWaalsContact CG2-CA 3.41Å; T504-P523 VanDerWaalsContact OG1-C 3.3Å
524	H	38	Very low	35.3	Very low	116 Å²	116	148.4 Å²	148.4	54%	0.537	70%	0.699	S	S	.	*			trans	83	162.3	156.7	-132.9	-122	0	0	0	121.6	C502 S503 T504	C502-H524 HydrophobicContact CB-CB 3.85Å; S503-H524 CarbonylContact C-O 3.51Å; S503-H524 WeakPolarHBondContact CB-O 3.38Å; T504-H524 PolarHBondContact N-O 2.77Å; T504-H524 PolarHBondContact OG1-N 2.84Å; T504-H524 PolarHBondContact OG1-O 3.47Å
525	H	39.5	Very low	35.3	Very low	78 Å²	78	145 Å²	145	36%	0.361	70%	0.697	S	S	.	*			trans	58.2	170.3	175.1	-58.1	-86.6	0	0	0	118	T504	T504-H525 VanDerWaalsContact O-O 3.13Å
526	H	41.1	Very low	35.2	Very low	142 Å²	142	139.2 Å²	139.2	66%	0.657	69%	0.694	S	S	*	*			cis	-143.5	123.5	-27.3	-125.8	-29.9	0	0	0	114.2
527	K	37.9	Very low	35.2	Very low	177 Å²	177	133.6 Å²	133.6	77%	0.77	69%	0.691	S	S	*	*			trans	49.3	118.1	149.5	-80.3	177.4	176.9	169.8	0	124.1
528	K	35.4	Very low	35	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	70%	0.697	S	S	*	*				116.9	124.6	118.1	-92.2	-172.1	174	-174.9	0	122.7
529	T	37.6	Very low	34.8	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	70%	0.702	S	S	*	*			trans	81.2	107	140.6	43.8	0	0	0	0	125.3
530	K	35.4	Very low	34.5	Very low	190 Å²	190	133 Å²	133	83%	0.826	71%	0.709	S	S	*	*				87.3	114.8	125	-79.7	-165.7	171.8	-175.2	0	123.4
531	V	38.4	Very low	34.1	Very low	114 Å²	114	130.5 Å²	130.5	69%	0.691	71%	0.708	S	S	*	*				103.8	111.5	121.6	168.4	0	0	0	0	120.9
532	N	36	Very low	33.7	Very low	131 Å²	131	129.5 Å²	129.5	70%	0.701	71%	0.707	S	S	*	*			trans	77.8	119.2	145.3	-73.9	7.3	0	0	0	124.3
533	K	34.2	Very low	33.4	Very low	159 Å²	159	129.7 Å²	129.7	69%	0.691	71%	0.714	S	S	*	*			trans	72.9	139	131.2	-65	-170.8	143.9	-67	0	119
534	D	32.6	Very low	33	Very low	116 Å²	116	132.5 Å²	132.5	62%	0.62	73%	0.73	S	S	*	*			cis	-150.6	-171	-7.6	-92.7	-34.5	0	0	0	109.2
535	D	34.5	Very low	32.7	Very low	149 Å²	149	133.8 Å²	133.8	80%	0.797	74%	0.736	S	S	*	*			trans	79.5	100.8	162.3	-62.7	-20.3	0	0	0	122.8
536	S	30.3	Very low	32.3	Very low	126 Å²	126	137.5 Å²	137.5	88%	0.881	76%	0.758	S	S	*	*			trans	60	126.4	135	72.1	0	0	0	0	122.4
537	G	33	Very low	31.8	Very low	76 Å²	76	137 Å²	137	78%	0.784	76%	0.756	S	S	*	*			trans	153.5	82.1	167.4	0	0	0	0	0	113.5	S539	G537-S539 PolarHBondContact O-N 3.5Å
538	S	26	Very low	31.4	Very low	129 Å²	129	136.2 Å²	136.2	90%	0.902	76%	0.755	S	S	*	*			trans	-82.1	108.6	-166.3	52.8	0	0	0	0	115.3
539	S	25.8	Very low	31	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	75%	0.748	S	S	*	*			trans	-166.8	166.8	158.1	60.7	0	0	0	0	112.9	G537	G537-S539 PolarHBondContact O-N 3.5Å
540	L	26.3	Very low	30.6	Very low	162 Å²	162	136.9 Å²	136.9	85%	0.848	75%	0.753	S	S	*	*			trans	89.4	154.5	153.1	-134.8	71.7	0	0	0	121.8
541	L	25.2	Very low	30.2	Very low	143 Å²	143	134.6 Å²	134.6	75%	0.749	75%	0.748	S	S	*	*			trans	-57.4	148.8	-162.9	-84.5	68.6	0	0	0	121.8
542	V	26.3	Very low	29.8	Very low	116 Å²	116	135.9 Å²	135.9	70%	0.703	75%	0.751	S	S	*	*				40.3	125	121.5	-170.4	0	0	0	0	120.9
543	T	28.1	Very low	29.4	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	75%	0.752	S	S	*	*				-174.8	169.8	122.2	20.1	0	0	0	0	114.4
544	T	31.5	Very low	29.3	Very low	111 Å²	111	135.6 Å²	135.6	68%	0.681	75%	0.75	S	S	*	*			trans	-120.6	166.4	-161.2	46.4	0	0	0	0	114.8
545	H	31.2	Very low	29.2	Very low	142 Å²	142	135.9 Å²	135.9	66%	0.657	75%	0.751	S	S	*	*			trans	128.2	141.4	145.6	-78.5	90.6	0	0	0	118.1
546	D	31.4	Very low	28.8	Very low	156 Å²	156	135.3 Å²	135.3	83%	0.834	75%	0.747	S	S	*	*				166.5	131.3	127.2	-89.6	-7.6	0	0	0	107.5
547	E	31.5	Very low	28.6	Very low	131 Å²	131	136.2 Å²	136.2	61%	0.612	74%	0.738	S	S	*	*			cis	-143.2	-152.5	-7.9	-146.1	-116.4	81.6	0	0	108.6	K549	E547-K549 IonicContact OE1-NZ 3.63Å; E547-K549 PolarHBondContact OE1-NZ 2.66Å; E547-K549 IonicContact OE2-NZ 2.74Å; E547-K549 PolarHBondContact OE2-NZ 3.4Å
548	Q	28.1	Very low	28.4	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.752	74%	0.74	S	S	*	*			trans	-137.3	171.5	-178.2	-61.5	162.7	-62.3	0	0	111.4
549	K	28.6	Very low	28.4	Very low	147 Å²	147	139.8 Å²	139.8	64%	0.639	73%	0.726	S	S	*	*			trans	139.7	150.3	159.2	-79.7	158.8	-166.1	101.1	0	111.3	E547	E547-K549 IonicContact OE1-NZ 3.63Å; E547-K549 PolarHBondContact OE1-NZ 2.66Å; E547-K549 IonicContact OE2-NZ 2.74Å; E547-K549 PolarHBondContact OE2-NZ 3.4Å
550	M	27.6	Very low	28.3	Very low	165 Å²	165	139 Å²	139	81%	0.813	72%	0.721	S	S	*	*			cis	-124	150.4	-0.5	-63.2	-173.6	-169.2	0	0	108.1
551	I	27.6	Very low	28.3	Very low	143 Å²	143	137 Å²	137	73%	0.733	72%	0.716	S	S	*	*				53.6	120.3	66.5	-49.1	169.5	0	0	0	110
552	D	29.7	Very low	28.5	Very low	140 Å²	140	138.3 Å²	138.3	75%	0.749	72%	0.72	S	S	*	*			cis	-120.5	-177.6	28.9	-88.9	-45.9	0	0	0	114
553	K	27.4	Very low	28.6	Very low	166 Å²	166	140.9 Å²	140.9	72%	0.722	72%	0.722	S	S	*	*			cis	156.6	166	-29.5	-164.9	-176.7	169.1	-172.7	0	108.1
554	N	31.8	Very low	28.6	Very low	119 Å²	119	139.4 Å²	139.4	64%	0.636	71%	0.709	S	S	*	*			trans	71.6	143.8	176.7	-58.7	23.3	0	0	0	115.4
555	D	32.2	Very low	28.4	Very low	122 Å²	122	140.8 Å²	140.8	65%	0.652	71%	0.712	S	S	*	*			cis	-150.9	132.4	-25.2	-89.7	-39.7	0	0	0	105.8
556	L	26.1	Very low	28.4	Very low	136 Å²	136	139.6 Å²	139.6	71%	0.712	72%	0.715	S	S	*	*				67.6	119.4	72.6	-81.2	168	0	0	0	115.6
557	Q	26.1	Very low	28.2	Very low	146 Å²	146	138.6 Å²	138.6	68%	0.682	71%	0.709	S	S	*	*			trans	67.1	109.7	149.1	-59.2	175.4	0.7	0	0	120.5	I559	Q557-I559 HydrophobicContact CB-CD1 4.11Å; Q557-I559 HydrophobicContact CG-CD1 4.08Å
558	L	27.3	Very low	28.2	Very low	161 Å²	161	138 Å²	138	84%	0.843	72%	0.715	S	S	*	*				-164.8	124.1	104.5	-121.2	60	0	0	0	107
559	I	26.2	Very low	28	Very low	118 Å²	118	139 Å²	139	61%	0.605	72%	0.721	S	S	*	*			cis	85.4	90.4	40.9	-57.1	173.3	0	0	0	113.5	Q557	Q557-I559 HydrophobicContact CB-CD1 4.11Å; Q557-I559 HydrophobicContact CG-CD1 4.08Å
560	S	24	Very low	28.1	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	73%	0.729	S	S	*	*			trans	74.6	162.8	143.4	76	0	0	0	0	121.8
561	T	26.7	Very low	28.1	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	73%	0.726	S	S	*	*			trans	72.2	141.2	170.9	76	0	0	0	0	115.2
562	M	28.5	Very low	28.2	Very low	170 Å²	170	135 Å²	135	84%	0.837	73%	0.73	S	S	*	*			cis	-135	147.7	-10.3	-54.6	178.3	-175	0	0	105.8
563	K	28.2	Very low	28.4	Very low	169 Å²	169	132.3 Å²	132.3	74%	0.735	73%	0.728	S	S	*	*			cis	72.1	121.2	36.8	-141.8	-161.2	178.2	-73.7	0	115.6
564	D	28.9	Very low	28.7	Very low	111 Å²	111	130.2 Å²	130.2	59%	0.594	73%	0.729	S	S	*	*			trans	86.1	132.3	159.9	-61.2	-29.6	0	0	0	122.5
565	D	28.2	Very low	28.5	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	74%	0.735	S	S	*	*			trans	93.6	137.3	134.8	-76.9	-5.3	0	0	0	125.5
566	T	30	Very low	28.2	Very low	118 Å²	118	133 Å²	133	72%	0.724	74%	0.738	S	S	*	*			trans	72.7	147.4	159.3	60.3	0	0	0	0	119.8
567	N	27.8	Very low	28.4	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	74%	0.737	S	S	*	*			cis	-159.9	167.7	-3.9	-123.9	-23	0	0	0	114.5
568	T	30.3	Very low	28.4	Very low	119 Å²	119	130.5 Å²	130.5	73%	0.73	74%	0.739	S	S	*	*			trans	55.4	126.9	154.1	50.6	0	0	0	0	120.3
569	M	24	Very low	28.5	Very low	181 Å²	181	130.6 Å²	130.6	89%	0.892	74%	0.74	S	S	*	*				70.8	127.8	59.9	-88.4	-167.2	158.7	0	0	117
570	V	30.8	Very low	28.5	Very low	130 Å²	130	131 Å²	131	79%	0.788	75%	0.749	S	S	*	*			trans	144.2	94.5	157.8	159.8	0	0	0	0	107.6
571	T	27.6	Very low	28.8	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	76%	0.758	S	S	*	*				52.2	131.1	80.7	66.5	0	0	0	0	114.6
572	S	30.5	Very low	29	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	76%	0.755	S	S	*	*			cis	-166.6	-176.9	-5.5	58.4	0	0	0	0	107.1
573	A	33.1	Very low	28.9	Very low	85 Å²	85	133.1 Å²	133.1	70%	0.702	76%	0.755	S	S	*	*			cis	-148.1	-150.6	11.1	0	0	0	0	0	107.8
574	T	33.4	Very low	29	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	76%	0.758	S	S	*	*			cis	-146.6	145.3	9	45.7	0	0	0	0	112.6
575	M	28.1	Very low	28.8	Very low	154 Å²	154	132.6 Å²	132.6	76%	0.759	77%	0.769	S	S	*	*			trans	25.5	141	130.1	-55.1	-173.8	178.7	0	0	121.2
576	M	27.2	Very low	28.9	Very low	144 Å²	144	132.8 Å²	132.8	71%	0.709	78%	0.775	S	S	*	*			cis	-166.4	161.5	0.4	-117.1	170.1	-173.7	0	0	112.6
577	T	30.3	Very low	28.6	Very low	113 Å²	113	135 Å²	135	69%	0.693	78%	0.777	S	S	*	*			trans	45.4	114.3	153.8	56.5	0	0	0	0	120.1
578	T	25.5	Very low	28.6	Very low	118 Å²	118	136.3 Å²	136.3	72%	0.724	78%	0.781	S	S	*	*				63.2	112.1	62.5	71.1	0	0	0	0	116.8
579	N	29.5	Very low	28.4	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	77%	0.774	S	S	*	*				-172.2	158.7	115.7	-94.2	-10.1	0	0	0	113.6
580	T	26.4	Very low	28.5	Very low	127 Å²	127	134 Å²	134	78%	0.779	77%	0.767	S	S	*	*			trans	-99.9	156.5	-177	51.8	0	0	0	0	113.2
581	I	29.1	Very low	28.4	Very low	166 Å²	166	136 Å²	136	85%	0.851	77%	0.772	S	S	*	*			trans	-168.8	146.2	138.8	-100.2	148.5	0	0	0	110
582	P	31.5	Very low	28.2	Very low	103 Å²	103	137.9 Å²	137.9	67%	0.669	77%	0.772	S	S	*	*			trans	-112.9	172.2	-173.4	42.3	-35	0	0	0	115.8
583	N	26.9	Very low	28.1	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	77%	0.765	S	S	*	*			trans	58	122.4	159.1	-63	3.8	0	0	0	120.4
584	S	30.5	Very low	27.8	Very low	115 Å²	115	141 Å²	141	80%	0.804	77%	0.768	S	S	*	*				-174.4	152	112.7	60.8	0	0	0	0	112.9
585	D	25	Very low	27.4	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	77%	0.765	S	S	*	*			trans	-68.6	153.9	176.8	-39.3	-100	0	0	0	114.1
586	V	28.3	Very low	27.2	Very low	143 Å²	143	139.3 Å²	139.3	87%	0.867	77%	0.766	S	S	*	*			trans	-152.4	133.2	136.7	166.8	0	0	0	0	109.7
587	H	24.2	Very low	27.3	Very low	164 Å²	164	138 Å²	138	76%	0.759	77%	0.771	S	S	*	*			trans	-96.2	132.9	169.4	-121.7	-84.4	0	0	0	110.6
588	M	28.4	Very low	27	Very low	163 Å²	163	139.4 Å²	139.4	80%	0.803	77%	0.773	S	S	*	*			trans	-168.4	122.4	145.1	-84.1	-46.8	177.5	0	0	106.4
589	N	25.2	Very low	26.9	Very low	108 Å²	108	142.5 Å²	142.5	58%	0.578	77%	0.772	S	S	*	*				79.7	130.9	55.2	-70.4	4.4	0	0	0	114.7
590	N	26.2	Very low	26.7	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	77%	0.766	S	S	*	*			trans	66	107.5	152.9	-54.8	0.4	0	0	0	118.6
591	I	28.7	Very low	26.6	Very low	173 Å²	173	145.4 Å²	145.4	89%	0.887	77%	0.767	S	S	*	*				-169	148.5	90.8	-94.3	157.3	0	0	0	110.3
592	E	24.6	Very low	26.5	Very low	163 Å²	163	145.4 Å²	145.4	76%	0.762	77%	0.767	S	S	*	*			trans	-101.7	170.8	-176.7	-138.8	169	-165.7	0	0	110.9
593	N	27.8	Very low	26.2	Very low	124 Å²	124	147.1 Å²	147.1	66%	0.663	77%	0.771	S	S	*	*			trans	80.9	119	160.2	-56.2	-17.2	0	0	0	120.7
594	D	26.8	Very low	26.3	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	76%	0.764	S	S	*	*				101.8	119.3	122.2	-75.5	-16.5	0	0	0	124.1
595	V	25.4	Very low	26	Very low	114 Å²	114	148.8 Å²	148.8	69%	0.691	77%	0.766	S	S	*	*			trans	73.1	89.5	133.1	-178.2	0	0	0	0	117.9
596	T	24.7	Very low	26.2	Very low	128 Å²	128	151.2 Å²	151.2	79%	0.785	76%	0.764	S	S	*	*			trans	35.8	117.2	136.3	65.4	0	0	0	0	119.5
597	S	27.6	Very low	26.1	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	76%	0.761	S	S	*	*				-162.6	150.8	125.4	41.4	0	0	0	0	113.7
598	L	24.4	Very low	26.3	Very low	143 Å²	143	150.7 Å²	150.7	75%	0.749	76%	0.76	S	S	*	*			trans	-13.6	141.2	155.8	-80	64.6	0	0	0	114.8
599	R	23.3	Very low	26.4	Very low	184 Å²	184	148.7 Å²	148.7	69%	0.694	75%	0.753	S	S	*	*			cis	177.9	163.6	43.5	-136	170.6	177.1	170.8	-0.3	111.8
600	R	25.5	Very low	26.8	Very low	201 Å²	201	147.8 Å²	147.8	76%	0.758	75%	0.747	S	S	*	*			trans	76.7	121.7	154.7	-65.4	161.8	180	146	-4.5	118.9
601	N	24.1	Very low	27.3	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	74%	0.739	S	S	*	*			trans	-5.5	138.2	141.1	-41.7	18.3	0	0	0	117.3
602	I	27.6	Very low	27.7	Very low	166 Å²	166	141 Å²	141	85%	0.851	71%	0.709	S	S	*	*				-156	150.1	115.5	-98.8	150.8	0	0	0	108.3
603	D	24.9	Very low	28.4	Very low	139 Å²	139	135 Å²	135	74%	0.743	68%	0.684	S	S	*	*			trans	-75.8	139.9	-175.1	-43.3	-103.4	0	0	0	113.1
604	E	29.5	Very low	29.3	Very low	152 Å²	152	133.2 Å²	133.2	71%	0.71	68%	0.68	S	S	*	*			trans	-131.3	109.1	150	-90.7	-148.7	177.5	0	0	110.9	R606	E604-R606 PolarHBondContact O-N 3.11Å; E604-R606 IonicContact OE2-CZ 2.83Å; E604-R606 IonicContact OE2-NE 2.68Å; E604-R606 PolarHBondContact OE2-NE 3.14Å; E604-R606 VanDerWaalsContact OE2-NE 3.14Å; E604-R606 IonicContact OE2-NH2 3.62Å; E604-R606 PolarHBondContact OE2-NH2 3.41Å
605	N	24.8	Very low	30.3	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	68%	0.681	S	S	*	*			trans	-68	120.3	169.9	-75.6	-69.5	0	0	0	110.4
606	R	28.6	Very low	31	Very low	206 Å²	206	134.3 Å²	134.3	78%	0.777	69%	0.686	S	S	*	*			trans	-121	72	169.4	-67.9	-166.6	177.5	-151.2	-2.9	112.3	E604 L608	E604-R606 PolarHBondContact O-N 3.11Å; E604-R606 IonicContact OE2-CZ 2.83Å; E604-R606 IonicContact OE2-NE 2.68Å; E604-R606 PolarHBondContact OE2-NE 3.14Å; E604-R606 VanDerWaalsContact OE2-NE 3.14Å; E604-R606 IonicContact OE2-NH2 3.62Å; E604-R606 PolarHBondContact OE2-NH2 3.41Å; R606-L608 PolarHBondContact O-N 2.91Å
607	L	26.6	Very low	31.8	Very low	153 Å²	153	131.2 Å²	131.2	80%	0.801	67%	0.673	S	S	*	*			trans	22.3	81.7	154.5	-67.9	167.9	0	0	0	116.3	N609	L607-N609 PolarHBondContact O-N 3.41Å
608	L	27.6	Very low	32.3	Very low	143 Å²	143	131.4 Å²	131.4	75%	0.749	67%	0.67	S	S	*	*			trans	-76.2	106.5	155.2	-152.8	80.6	0	0	0	107.4	R606 I610	R606-L608 PolarHBondContact O-N 2.91Å; L608-I610 PolarHBondContact O-N 3.41Å
609	N	30.7	Very low	32.9	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	68%	0.676	S	S	*	*			trans	-67	107	179.6	-78.9	-16	0	0	0	110.2	L607 F611	L607-N609 PolarHBondContact O-N 3.41Å; N609-F611 HydrophobicContact CB-CD2 4.42Å; N609-F611 HydrophobicContact CB-CE2 4.17Å; N609-F611 WeakPolarHBondContact O-CD2 3.3Å; N609-F611 PolarHBondContact O-N 3.09Å; N609-F611 VanDerWaalsContact O-N 3.16Å
610	I	34.5	Very low	33.6	Very low	89 Å²	89	132.2 Å²	132.2	46%	0.456	67%	0.668	S	S	.	*			trans	-73.3	104.5	177	-57.3	177	0	0	0	108.9	L608 C612	L608-I610 PolarHBondContact O-N 3.41Å; I610-C612 PolarHBondContact O-N 2.7Å
611	F	35.6	Very low	34.2	Very low	134 Å²	134	127.3 Å²	127.3	59%	0.588	66%	0.66	S	S	*	*			trans	-84.7	99.8	171	-82.1	-95.3	0	0	0	110.3	N609 V624	N609-F611 HydrophobicContact CB-CD2 4.42Å; N609-F611 HydrophobicContact CB-CE2 4.17Å; N609-F611 WeakPolarHBondContact O-CD2 3.3Å; N609-F611 PolarHBondContact O-N 3.09Å; N609-F611 VanDerWaalsContact O-N 3.16Å; F611-V624 HydrophobicContact CE2-CG1 4.48Å; F611-V624 HydrophobicContact CZ-CG2 4.44Å
612	C	36.9	Very low	34.8	Very low	38 Å²	38	126.4 Å²	126.4	26%	0.257	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-81.8	126.4	166.4	-47	0	0	0	0	109.3	I610 C691	I610-C612 PolarHBondContact O-N 2.7Å; C612-C691 HydrophobicContact CB-CB 4.08Å; C612-C691 WeakPolarHBondContact CB-SG 3.49Å; C612-C691 VanDerWaalsContact SG-CA 3.59Å; C612-C691 WeakPolarHBondContact SG-CB 3.33Å; C612-C691 CovalentContact SG-SG 2.05Å; C612-C691 PolarHBondContact SG-SG 3.22Å
613	C	40.1	Very low	35.1	Very low	36 Å²	36	125.6 Å²	125.6	24%	0.243	64%	0.642	C	S	.	*	P	Polyproline II helix	trans	-58.1	132.4	177.2	-56.8	0	0	0	0	110.9	C663	C613-C663 HydrophobicContact CB-CB 3.93Å; C613-C663 WeakPolarHBondContact CB-SG 3.33Å; C613-C663 WeakPolarHBondContact SG-CB 3.38Å; C613-C663 CovalentContact SG-SG 2.05Å; C613-C663 PolarHBondContact SG-SG 3.33Å
614	P	47.2	Very low	35.5	Very low	88 Å²	88	121.6 Å²	121.6	57%	0.571	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-71.9	142	175.7	28.5	-32.4	0	0	0	110.9	N616 A617	P614-N616 PolarHBondContact O-N 3.02Å; P614-A617 HydrophobicContact CG-CB 4.3Å; P614-A617 PolarHBondContact O-N 3.39Å
615	T	46.1	Very low	35.5	Very low	130 Å²	130	117.4 Å²	117.4	80%	0.798	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	10	-167.2	50.5	0	0	0	0	116.5
616	N	41.9	Very low	35.9	Very low	150 Å²	150	113.9 Å²	113.9	80%	0.802	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	11.6	-177.3	-107.3	-12.5	0	0	0	113.4	P614 T618	P614-N616 PolarHBondContact O-N 3.02Å; N616-T618 PolarHBondContact O-N 3.37Å; N616-T618 VanDerWaalsContact O-N 3.16Å
617	A	39.8	Very low	35.9	Very low	62 Å²	62	109.9 Å²	109.9	51%	0.512	59%	0.588	S	S	.	*			trans	-70.7	106.4	-177.9	0	0	0	0	0	112.5	P614	P614-A617 HydrophobicContact CG-CB 4.3Å; P614-A617 PolarHBondContact O-N 3.39Å
618	T	39.5	Very low	36.1	Very low	120 Å²	120	108.5 Å²	108.5	74%	0.736	58%	0.58	S	S	*	*			trans	-98.9	109.4	177	55.2	0	0	0	0	112.4	N616 E620	N616-T618 PolarHBondContact O-N 3.37Å; N616-T618 VanDerWaalsContact O-N 3.16Å; T618-E620 PolarHBondContact O-N 3.05Å
619	R	37.2	Very low	36.2	Very low	231 Å²	231	108.1 Å²	108.1	87%	0.872	58%	0.584	S	S	*	*	S	Bend	trans	55.2	42.3	161.9	-64.1	-175.9	168.2	-173.2	-4.4	116.9
620	E	37.7	Very low	36	Very low	113 Å²	113	108.2 Å²	108.2	53%	0.528	59%	0.594	S	S	.	*			trans	-126.9	130.1	167.4	-70.6	-170.8	157.5	0	0	111.2	T618	T618-E620 PolarHBondContact O-N 3.05Å
621	V	37.3	Very low	35.9	Very low	97 Å²	97	109.5 Å²	109.5	59%	0.588	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-87.8	121.5	172.7	178.7	0	0	0	0	108.4	L660	V621-L660 HydrophobicContact CG1-CD2 4.32Å
622	Q	36.2	Very low	35.7	Very low	130 Å²	130	107.7 Å²	107.7	61%	0.607	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-98.3	134.1	-179.9	-64.3	-171.8	-8.9	0	0	111.3
623	F	33.5	Very low	35.3	Very low	149 Å²	149	111.4 Å²	111.4	65%	0.654	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-95.7	131.5	174.6	-67	-84.9	0	0	0	110.6
624	V	33.6	Very low	35	Very low	55 Å²	55	115.7 Å²	115.7	33%	0.333	68%	0.678	S	S	.	*			trans	-125.7	121.3	172	-176.2	0	0	0	0	109.1	F611	F611-V624 HydrophobicContact CE2-CG1 4.48Å; F611-V624 HydrophobicContact CZ-CG2 4.44Å
625	T	31.1	Very low	34	Very low	65 Å²	65	116.7 Å²	116.7	40%	0.399	69%	0.687	S	S	.	*	B	Isolated β-bridge	trans	-95.8	129.6	174.4	-68	0	0	0	0	109.9	E656 R658	T625-E656 HydrophobicContact CG2-CB 4.34Å; T625-E656 HydrophobicContact CG2-CG 4.34Å; T625-E656 WeakPolarHBondContact CG2-OE2 3.27Å; T625-E656 PolarHBondContact OG1-OE2 3.18Å; T625-R658 PolarHBondContact OG1-NE 3.3Å
626	I	32.6	Very low	33.2	Very low	82 Å²	82	118.6 Å²	118.6	42%	0.421	69%	0.691	S	S	.	*			trans	-105.8	121.8	174.1	-55.8	176.2	0	0	0	108.8	I628 V659	I626-I628 HydrophobicContact CG2-CG1 4.28Å; I626-V659 HydrophobicContact CD1-CG2 4.25Å
627	P	27.6	Very low	32.4	Very low	121 Å²	121	116.9 Å²	116.9	79%	0.786	69%	0.691	S	S	*	*			trans	-79.1	128	177.8	31.2	-33	0	0	0	111.3
628	I	30.9	Very low	31.8	Very low	124 Å²	124	119.9 Å²	119.9	64%	0.636	70%	0.703	S	S	*	*			trans	-136.7	137.9	172.9	-49.6	-178.9	0	0	0	109.1	I626	I626-I628 HydrophobicContact CG2-CG1 4.28Å
629	T	29.3	Very low	31.1	Very low	136 Å²	136	122.1 Å²	122.1	83%	0.834	71%	0.71	S	S	*	*			trans	-77.1	152.7	-177.3	45.8	0	0	0	0	113.4
630	S	26.9	Very low	30.6	Very low	122 Å²	122	116.7 Å²	116.7	85%	0.853	70%	0.703	S	S	*	*			trans	-86.7	135.7	-168.8	55.2	0	0	0	0	115.6
631	S	32.1	Very low	29.9	Very low	117 Å²	117	118 Å²	118	82%	0.818	72%	0.719	S	S	*	*			trans	-156.6	123.6	159.1	58.1	0	0	0	0	114.1
632	A	33.2	Very low	29.6	Very low	96 Å²	96	121.6 Å²	121.6	79%	0.793	73%	0.729	S	S	*	*			trans	44.8	106.5	151	0	0	0	0	0	121.8
633	S	28	Very low	29.2	Very low	116 Å²	116	122.6 Å²	122.6	81%	0.811	74%	0.737	S	S	*	*			trans	-14.1	143.6	139.7	54.8	0	0	0	0	120.8
634	S	32.4	Very low	28.9	Very low	126 Å²	126	119.2 Å²	119.2	88%	0.881	74%	0.744	S	S	*	*				-162.5	166.6	116.5	60.9	0	0	0	0	112.1
635	S	27.3	Very low	28.7	Very low	109 Å²	109	120 Å²	120	76%	0.762	76%	0.763	S	S	*	*			trans	-89.7	145.1	-171.6	52.3	0	0	0	0	114.4
636	L	29.8	Very low	28.4	Very low	170 Å²	170	121 Å²	121	89%	0.89	77%	0.773	S	S	*	*			trans	-150.3	151.3	146.7	-142.3	74.9	0	0	0	111.1
637	S	24.2	Very low	28.2	Very low	113 Å²	113	124 Å²	124	79%	0.79	79%	0.789	S	S	*	*			trans	-127.8	118.2	-173.9	56.7	0	0	0	0	111.9
638	T	27.3	Very low	28.4	Very low	125 Å²	125	123.6 Å²	123.6	77%	0.767	78%	0.779	S	S	*	*			trans	-142.8	149.5	174.6	42.3	0	0	0	0	111.9
639	N	23.9	Very low	28.2	Very low	167 Å²	167	125.8 Å²	125.8	89%	0.893	79%	0.787	S	S	*	*			trans	-76.9	144.9	-177.3	-63.7	-46.9	0	0	0	111.9
640	V	27.1	Very low	28	Very low	117 Å²	117	122.3 Å²	122.3	71%	0.709	78%	0.778	S	S	*	*			trans	-124.4	112.8	175	-179.5	0	0	0	0	111
641	T	23.5	Very low	28.2	Very low	141 Å²	141	122 Å²	122	87%	0.865	77%	0.771	S	S	*	*			trans	-83.7	103.5	165.3	35.2	0	0	0	0	109.4
642	H	30.2	Very low	28.1	Very low	173 Å²	173	121 Å²	121	80%	0.801	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-87.9	127	-172.7	-145.1	-73	0	0	0	112.8
643	L	29.5	Very low	28	Very low	151 Å²	151	119.6 Å²	119.6	79%	0.791	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69.9	148.9	167.6	-81.4	76.8	0	0	0	110.2
644	G	26.6	Very low	28.3	Very low	77 Å²	77	115.6 Å²	115.6	79%	0.794	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-82.1	142.8	-178.2	0	0	0	0	0	114
645	G	28.6	Very low	28.3	Very low	71 Å²	71	112.7 Å²	112.7	73%	0.732	70%	0.702	S	S	*	*			trans	-171.2	142.9	171.7	0	0	0	0	0	109.9
646	S	25.5	Very low	28.6	Very low	87 Å²	87	111.5 Å²	111.5	61%	0.608	68%	0.684	S	S	*	*			trans	-68.1	135.9	174.7	-175.6	0	0	0	0	110.2
647	L	27.8	Very low	28.8	Very low	144 Å²	144	108 Å²	108	75%	0.754	67%	0.666	S	S	*	*			trans	-175.7	124.4	153.6	-98.9	150.4	0	0	0	111.2
648	I	32.6	Very low	29.3	Very low	113 Å²	113	106.4 Å²	106.4	58%	0.579	64%	0.643	S	S	*	*			trans	58.1	108.4	153.9	-55.2	167.9	0	0	0	118	L671	I648-L671 HydrophobicContact CD1-CD1 4.26Å
649	Q	25.8	Very low	29.6	Very low	171 Å²	171	102.5 Å²	102.5	80%	0.799	62%	0.619	S	S	*	*	S	Bend	trans	-70.7	136.5	152.4	-74.4	179.6	-33.7	0	0	110.3
650	G	26.3	Very low	30.2	Very low	62 Å²	62	98.4 Å²	98.4	64%	0.639	60%	0.596	S	S	*	*			trans	104	46.7	159.3	0	0	0	0	0	118	V652	G650-V652 PolarHBondContact O-N 3.33Å; G650-V652 VanDerWaalsContact O-N 3.16Å
651	T	30.1	Very low	30.7	Very low	117 Å²	117	95.3 Å²	95.3	72%	0.718	58%	0.578	S	S	*	*			trans	-74.1	97.1	165	36.1	0	0	0	0	111.6	V653	T651-V653 PolarHBondContact O-N 3.1Å
652	V	31	Very low	31.5	Very low	95 Å²	95	90.7 Å²	90.7	58%	0.576	55%	0.551	S	S	*	*			trans	-71.1	115.1	171.8	-177.2	0	0	0	0	109.5	G650 T654	G650-V652 PolarHBondContact O-N 3.33Å; G650-V652 VanDerWaalsContact O-N 3.16Å; V652-T654 VanDerWaalsContact C-N 3.27Å; V652-T654 HydrophobicContact CG1-CG2 4.18Å; V652-T654 PolarHBondContact O-N 3.15Å
653	V	30.8	Very low	32	Very low	66 Å²	66	85.5 Å²	85.5	40%	0.4	53%	0.534	S	S	.	.			trans	-79.1	67.2	-173.7	-170.4	0	0	0	0	111.7	Y341 K344 T651	Y341-V653 WeakPolarHBondContact CD2-O 3.49Å; K344-V653 HydrophobicContact CD-CG1 4.35Å; K344-V653 HydrophobicContact CG-CG1 4.47Å; T651-V653 PolarHBondContact O-N 3.1Å
654	T	33.2	Very low	32.7	Very low	32 Å²	32	84.8 Å²	84.8	20%	0.196	53%	0.53	C	S	.	.			trans	-69.6	133.2	170.8	54.5	0	0	0	0	110.6	Y341 V652 E656	Y341-T654 HydrophobicContact CE2-CG2 4.06Å; V652-T654 VanDerWaalsContact C-N 3.27Å; V652-T654 HydrophobicContact CG1-CG2 4.18Å; V652-T654 PolarHBondContact O-N 3.15Å; T654-E656 PolarHBondContact O-N 3.36Å
655	G	33	Very low	33.5	Very low	65 Å²	65	83.1 Å²	83.1	67%	0.67	51%	0.507	S	S	*	.	S	Bend	trans	-72.3	26.5	-178.1	0	0	0	0	0	116.4
656	E	33.6	Very low	34.3	Very low	85 Å²	85	84.9 Å²	84.9	40%	0.397	51%	0.505	S	S	.	.	S	Bend	trans	-126.2	146.2	-179.3	-66.6	175.9	174.1	0	0	109.1	T625 T654 R658	T625-E656 HydrophobicContact CG2-CB 4.34Å; T625-E656 HydrophobicContact CG2-CG 4.34Å; T625-E656 WeakPolarHBondContact CG2-OE2 3.27Å; T625-E656 PolarHBondContact OG1-OE2 3.18Å; T654-E656 PolarHBondContact O-N 3.36Å; E656-R658 HydrophobicContact CB-CG 4.07Å; E656-R658 PolarHBondContact O-N 3.15Å; E656-R658 IonicContact OE1-NH2 3.14Å; E656-R658 IonicContact OE2-CZ 3.45Å; E656-R658 IonicContact OE2-NE 3.65Å; E656-R658 PolarHBondContact OE2-NE 2.91Å; E656-R658 IonicContact OE2-NH2 2.85Å; E656-R658 PolarHBondContact OE2-NH2 2.88Å
657	N	35.3	Very low	35.3	Very low	96 Å²	96	87.6 Å²	87.6	51%	0.513	51%	0.509	S	S	.	.			trans	-72.9	79	174.3	-73.5	-8.7	0	0	0	110.4
658	R	32.8	Very low	35.8	Very low	80 Å²	80	83 Å²	83	30%	0.302	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-93	124.5	175.1	-62.8	-177.3	-176.6	-172.2	-1.4	109.7	T625 E656	T625-R658 PolarHBondContact OG1-NE 3.3Å; E656-R658 HydrophobicContact CB-CG 4.07Å; E656-R658 PolarHBondContact O-N 3.15Å; E656-R658 IonicContact OE1-NH2 3.14Å; E656-R658 IonicContact OE2-CZ 3.45Å; E656-R658 IonicContact OE2-NE 3.65Å; E656-R658 PolarHBondContact OE2-NE 2.91Å; E656-R658 IonicContact OE2-NH2 2.85Å; E656-R658 PolarHBondContact OE2-NH2 2.88Å
659	V	33.9	Very low	36	Very low	42 Å²	42	82.5 Å²	82.5	26%	0.255	48%	0.481	S	S	.	.			trans	-88.2	129.9	176.4	-179.7	0	0	0	0	109.1	I626 V661 L670	I626-V659 HydrophobicContact CD1-CG2 4.25Å; V659-V661 HydrophobicContact CG1-CG2 4.2Å; V659-L670 HydrophobicContact CG1-CD1 3.61Å; V659-L670 HydrophobicContact CG1-CG 4.47Å
660	L	37.1	Very low	36.4	Very low	81 Å²	81	78.5 Å²	78.5	42%	0.424	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.3	171.8	-82.9	164.7	0	0	0	109.4	V621 L671	V621-L660 HydrophobicContact CG1-CD2 4.32Å; L660-L671 HydrophobicContact CB-CB 4.34Å; L660-L671 WeakPolarHBondContact O-CB 3.03Å; L660-L671 PolarHBondContact O-N 3.23Å; L660-L671 VanDerWaalsContact O-N 3.09Å
661	V	37.9	Very low	36.7	Very low	53 Å²	53	79.5 Å²	79.5	32%	0.321	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114	170	-177.2	0	0	0	0	107.5	V659 L670	V659-V661 HydrophobicContact CG1-CG2 4.2Å; V661-L670 HydrophobicContact CG2-CD1 4.18Å
662	S	39.5	Very low	36.8	Very low	44 Å²	44	79.2 Å²	79.2	31%	0.308	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.2	168	168.9	0	0	0	0	109.3	D664	S662-D664 VanDerWaalsContact C-N 3.33Å; S662-D664 WeakPolarHBondContact OG-CB 3.33Å; S662-D664 PolarHBondContact OG-N 3.43Å; S662-D664 VanDerWaalsContact OG-N 3.16Å; S662-D664 PolarHBondContact OG-OD2 3.35Å
663	C	42	Very low	36.7	Very low	64 Å²	64	78.6 Å²	78.6	43%	0.432	45%	0.453	S	S	.	.			trans	-91.7	11.5	171.7	-54.3	0	0	0	0	112.1	C613 S665	C613-C663 HydrophobicContact CB-CB 3.93Å; C613-C663 WeakPolarHBondContact CB-SG 3.33Å; C613-C663 WeakPolarHBondContact SG-CB 3.38Å; C613-C663 CovalentContact SG-SG 2.05Å; C613-C663 PolarHBondContact SG-SG 3.33Å; C663-S665 PolarHBondContact O-N 3.16Å; C663-S665 VanDerWaalsContact O-N 3.1Å
664	D	44.3	Very low	36.9	Very low	135 Å²	135	79.3 Å²	79.3	72%	0.722	46%	0.457	S	S	*	.	S	Bend	trans	-79.7	19.3	-175.5	-59.2	-69.8	0	0	0	114	S662	S662-D664 VanDerWaalsContact C-N 3.33Å; S662-D664 WeakPolarHBondContact OG-CB 3.33Å; S662-D664 PolarHBondContact OG-N 3.43Å; S662-D664 VanDerWaalsContact OG-N 3.16Å; S662-D664 PolarHBondContact OG-OD2 3.35Å
665	S	43.4	Very low	36.6	Very low	43 Å²	43	84.8 Å²	84.8	30%	0.301	49%	0.485	S	S	.	.	S	Bend	trans	-144	145.4	-177.7	-154.1	0	0	0	0	109.5	C663 E667	C663-S665 PolarHBondContact O-N 3.16Å; C663-S665 VanDerWaalsContact O-N 3.1Å; S665-E667 WeakPolarHBondContact CB-O 3.33Å; S665-E667 PolarHBondContact O-N 3.48Å; S665-E667 VanDerWaalsContact O-N 3.1Å
666	P	45	Very low	36.4	Very low	107 Å²	107	85.8 Å²	85.8	70%	0.695	50%	0.495	S	S	*	.	S	Bend	trans	-62.6	-15.7	179.2	25.4	-34.8	0	0	0	113.6
667	E	46.4	Very low	36.2	Very low	145 Å²	145	87.6 Å²	87.6	68%	0.678	51%	0.507	S	S	*	.	S	Bend	trans	-110.5	119.5	165.6	-60.9	178.5	150.6	0	0	108.6	S665 K669	S665-E667 WeakPolarHBondContact CB-O 3.33Å; S665-E667 PolarHBondContact O-N 3.48Å; S665-E667 VanDerWaalsContact O-N 3.1Å; E667-K669 PolarHBondContact O-N 2.83Å
668	P	37.2	Very low	35.8	Very low	47 Å²	47	88.8 Å²	88.8	31%	0.305	52%	0.518	S	S	.	.			trans	-68.6	117	-177.6	27.1	-33.9	0	0	0	111.1	F688	P668-F688 HydrophobicContact CG-CD1 4.13Å; P668-F688 HydrophobicContact CG-CE1 3.91Å; P668-F688 HydrophobicContact CG-CZ 4.39Å
669	K	37.4	Very low	35.6	Very low	103 Å²	103	89.9 Å²	89.9	45%	0.448	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.5	-175.4	-65.7	-176.6	-176.7	178.5	0	111.2	E667 L671	E667-K669 PolarHBondContact O-N 2.83Å; K669-L671 PolarHBondContact O-N 2.94Å
670	L	34.4	Very low	35.3	Very low	86 Å²	86	92.6 Å²	92.6	45%	0.45	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.1	102.7	176.1	-173.5	73	0	0	0	110.4	V659 V661 I672	V659-L670 HydrophobicContact CG1-CD1 3.61Å; V659-L670 HydrophobicContact CG1-CG 4.47Å; V661-L670 HydrophobicContact CG2-CD1 4.18Å; L670-I672 HydrophobicContact CD2-CD1 3.9Å; L670-I672 HydrophobicContact CD2-CG1 3.93Å; L670-I672 HydrophobicContact CG-CD1 4.44Å; L670-I672 HydrophobicContact CG-CG1 3.91Å; L670-I672 PolarHBondContact O-N 2.84Å
671	L	33.3	Very low	34.7	Very low	84 Å²	84	95 Å²	95	44%	0.44	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	95	175	-72.8	169	0	0	0	110.3	I648 L660 K669 A673	I648-L671 HydrophobicContact CD1-CD1 4.26Å; L660-L671 HydrophobicContact CB-CB 4.34Å; L660-L671 WeakPolarHBondContact O-CB 3.03Å; L660-L671 PolarHBondContact O-N 3.23Å; L660-L671 VanDerWaalsContact O-N 3.09Å; K669-L671 PolarHBondContact O-N 2.94Å; L671-A673 PolarHBondContact O-N 3.23Å
672	I	31.5	Very low	34.2	Very low	110 Å²	110	99.7 Å²	99.7	56%	0.564	60%	0.598	S	S	*	*			trans	-84.3	97.3	172.9	-43.7	179.6	0	0	0	109.4	L670 T674	L670-I672 HydrophobicContact CD2-CD1 3.9Å; L670-I672 HydrophobicContact CD2-CG1 3.93Å; L670-I672 HydrophobicContact CG-CD1 4.44Å; L670-I672 HydrophobicContact CG-CG1 3.91Å; L670-I672 PolarHBondContact O-N 2.84Å; I672-T674 HydrophobicContact CG2-CG2 3.74Å; I672-T674 PolarHBondContact O-N 2.72Å; I672-T674 VanDerWaalsContact O-N 3.16Å
673	A	29.3	Very low	33.7	Very low	83 Å²	83	104.1 Å²	104.1	69%	0.686	62%	0.616	S	S	*	*			trans	-77.6	92.3	168.8	0	0	0	0	0	110	L671	L671-A673 PolarHBondContact O-N 3.23Å
674	T	33.9	Very low	32.9	Very low	80 Å²	80	105.9 Å²	105.9	49%	0.491	63%	0.628	S	S	.	*			trans	-88.5	140.8	170.5	58.8	0	0	0	0	110.9	I672 G676	I672-T674 HydrophobicContact CG2-CG2 3.74Å; I672-T674 PolarHBondContact O-N 2.72Å; I672-T674 VanDerWaalsContact O-N 3.16Å; T674-G676 PolarHBondContact O-N 3.22Å
675	N	28.1	Very low	32	Very low	147 Å²	147	105 Å²	105	79%	0.786	63%	0.632	S	S	*	*	S	Bend	trans	-79.4	108.8	170.8	-74	-50.7	0	0	0	109.6	I677	N675-I677 VanDerWaalsContact C-N 3.31Å; N675-I677 PolarHBondContact O-N 2.94Å
676	G	29.2	Very low	31.6	Very low	86 Å²	86	108.3 Å²	108.3	89%	0.887	65%	0.646	S	S	*	*	S	Bend	trans	72.6	7.5	160.6	0	0	0	0	0	117.6	T674	T674-G676 PolarHBondContact O-N 3.22Å
677	I	28.5	Very low	31	Very low	124 Å²	124	108.4 Å²	108.4	64%	0.636	64%	0.641	S	S	*	*			trans	-95.3	114.4	173.8	-58.1	178.2	0	0	0	108.7	N675	N675-I677 VanDerWaalsContact C-N 3.31Å; N675-I677 PolarHBondContact O-N 2.94Å
678	T	26.8	Very low	30.5	Very low	121 Å²	121	105.8 Å²	105.8	74%	0.742	63%	0.627	S	S	*	*			trans	-61.2	127.2	167.1	36.2	0	0	0	0	109.2	S680	T678-S680 VanDerWaalsContact C-N 3.35Å; T678-S680 PolarHBondContact O-N 2.8Å
679	P	28.3	Very low	30.7	Very low	103 Å²	103	105.5 Å²	105.5	67%	0.669	63%	0.627	S	S	*	*			trans	-69.5	96.8	173.6	28.2	-32.5	0	0	0	108.3	I683	P679-I683 HydrophobicContact CB-CD1 4.02Å
680	S	27.2	Very low	30.7	Very low	98 Å²	98	103.4 Å²	103.4	69%	0.685	62%	0.622	S	S	*	*			trans	-58.3	147.6	170.8	53.2	0	0	0	0	109.7	T678 N682	T678-S680 VanDerWaalsContact C-N 3.35Å; T678-S680 PolarHBondContact O-N 2.8Å; S680-N682 VanDerWaalsContact C-N 3.29Å; S680-N682 PolarHBondContact O-N 2.83Å
681	T	26	Very low	30.9	Very low	133 Å²	133	99.9 Å²	99.9	82%	0.816	61%	0.605	S	S	*	*	S	Bend	trans	-72.3	76.2	-169.5	48.8	0	0	0	0	112.1
682	N	27.4	Very low	31.2	Very low	151 Å²	151	101.4 Å²	101.4	81%	0.807	61%	0.613	S	S	*	*			trans	-167.5	30.1	165.1	-98	-25.8	0	0	0	114.5	S680 C684	S680-N682 VanDerWaalsContact C-N 3.29Å; S680-N682 PolarHBondContact O-N 2.83Å; N682-C684 PolarHBondContact O-N 3.43Å
683	I	27.5	Very low	31.5	Very low	136 Å²	136	101.2 Å²	101.2	70%	0.697	61%	0.61	S	S	*	*			trans	-72.5	96.5	166	-58	-179.4	0	0	0	108.1	P679	P679-I683 HydrophobicContact CB-CD1 4.02Å
684	C	25.3	Very low	31.9	Very low	101 Å²	101	101.7 Å²	101.7	68%	0.682	60%	0.597	S	S	*	*			trans	-55.2	143.6	173	-61.3	0	0	0	0	110.8	N682 L686	N682-C684 PolarHBondContact O-N 3.43Å; C684-L686 PolarHBondContact O-N 2.84Å
685	S	26.9	Very low	32.1	Very low	116 Å²	116	103 Å²	103	81%	0.811	60%	0.598	S	S	*	*			trans	-57.5	109.7	170.3	52.3	0	0	0	0	110.2	D687	S685-D687 PolarHBondContact O-N 2.87Å
686	L	33.1	Very low	32.4	Very low	114 Å²	114	103.6 Å²	103.6	60%	0.597	60%	0.596	S	S	*	*			trans	-64	117.5	170.3	-94.5	78.1	0	0	0	108.5	C684 F688	C684-L686 PolarHBondContact O-N 2.84Å; L686-F688 WeakPolarHBondContact O-CD2 3.23Å; L686-F688 PolarHBondContact O-N 2.88Å; L686-F688 VanDerWaalsContact O-N 3.15Å
687	D	33	Very low	32.5	Very low	108 Å²	108	106 Å²	106	58%	0.578	58%	0.584	S	S	*	*			trans	-79.3	100.5	-178.6	-175.3	12.7	0	0	0	111.2	S685 S689 T690	S685-D687 PolarHBondContact O-N 2.87Å; D687-S689 PolarHBondContact O-N 2.88Å; D687-S689 VanDerWaalsContact O-N 3.13Å; D687-S689 WeakPolarHBondContact OD1-CB 3.33Å; D687-S689 PolarHBondContact OD1-N 2.87Å; D687-S689 PolarHBondContact OD1-OG 2.81Å; D687-S689 WeakPolarHBondContact OD2-CB 3.17Å; D687-S689 PolarHBondContact OD2-OG 2.82Å; D687-T690 PolarHBondContact O-N 2.9Å; D687-T690 PolarHBondContact O-OG1 2.89Å
688	F	37.1	Very low	32.5	Very low	91 Å²	91	108.5 Å²	108.5	40%	0.399	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-1.8	174.3	-76.4	-83.5	0	0	0	113.9	P668 L686 T690 C691 L692	P668-F688 HydrophobicContact CG-CD1 4.13Å; P668-F688 HydrophobicContact CG-CE1 3.91Å; P668-F688 HydrophobicContact CG-CZ 4.39Å; L686-F688 WeakPolarHBondContact O-CD2 3.23Å; L686-F688 PolarHBondContact O-N 2.88Å; L686-F688 VanDerWaalsContact O-N 3.15Å; F688-T690 PolarHBondContact O-N 2.88Å; F688-C691 PolarHBondContact O-N 2.73Å; F688-L692 PolarHBondContact O-N 2.86Å
689	S	39.9	Very low	32.5	Very low	41 Å²	41	107.7 Å²	107.7	29%	0.287	59%	0.592	S	S	.	*	H	α-helix	trans	-51.4	-29.1	167.6	75.7	0	0	0	0	112.5	D687 L692 Q693	D687-S689 PolarHBondContact O-N 2.88Å; D687-S689 VanDerWaalsContact O-N 3.13Å; D687-S689 WeakPolarHBondContact OD1-CB 3.33Å; D687-S689 PolarHBondContact OD1-N 2.87Å; D687-S689 PolarHBondContact OD1-OG 2.81Å; D687-S689 WeakPolarHBondContact OD2-CB 3.17Å; D687-S689 PolarHBondContact OD2-OG 2.82Å; S689-L692 WeakPolarHBondContact O-CB 3.44Å; S689-L692 PolarHBondContact O-N 2.79Å; S689-Q693 WeakPolarHBondContact O-CG 3.29Å; S689-Q693 PolarHBondContact O-N 2.96Å
690	T	38.7	Very low	32.3	Very low	58 Å²	58	109.3 Å²	109.3	36%	0.356	60%	0.595	S	S	.	*	H	α-helix	trans	-65.3	-35.5	175.4	52.7	0	0	0	0	113.9	D687 F688 Q693 Q694	D687-T690 PolarHBondContact O-N 2.9Å; D687-T690 PolarHBondContact O-OG1 2.89Å; F688-T690 PolarHBondContact O-N 2.88Å; T690-Q693 PolarHBondContact O-N 2.8Å; T690-Q694 WeakPolarHBondContact O-CB 3.4Å; T690-Q694 WeakPolarHBondContact O-CG 3.44Å; T690-Q694 PolarHBondContact O-N 3.01Å
691	C	37	Very low	32.2	Very low	13 Å²	13	111 Å²	111	9%	0.088	60%	0.596	C	S	.	*	H	α-helix	trans	-66.6	-39.6	170	-89.5	0	0	0	0	111.1	C612 F688 Q694 Q695	C612-C691 HydrophobicContact CB-CB 4.08Å; C612-C691 WeakPolarHBondContact CB-SG 3.49Å; C612-C691 VanDerWaalsContact SG-CA 3.59Å; C612-C691 WeakPolarHBondContact SG-CB 3.33Å; C612-C691 CovalentContact SG-SG 2.05Å; C612-C691 PolarHBondContact SG-SG 3.22Å; F688-C691 PolarHBondContact O-N 2.73Å; C691-Q694 PolarHBondContact O-N 2.7Å; C691-Q695 WeakPolarHBondContact O-CB 3.29Å; C691-Q695 WeakPolarHBondContact O-CG 3.44Å; C691-Q695 PolarHBondContact O-N 2.82Å
692	L	40.4	Very low	32.2	Very low	115 Å²	115	111.6 Å²	111.6	60%	0.602	60%	0.599	S	S	*	*	H	α-helix	trans	-63.4	-41.5	174.9	-105.3	77.7	0	0	0	111.9	F688 S689 Q696	F688-L692 PolarHBondContact O-N 2.86Å; S689-L692 WeakPolarHBondContact O-CB 3.44Å; S689-L692 PolarHBondContact O-N 2.79Å; L692-Q696 WeakPolarHBondContact O-CG 3.48Å; L692-Q696 PolarHBondContact O-N 3.08Å
693	Q	38.3	Very low	32.1	Very low	107 Å²	107	110.8 Å²	110.8	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-68.5	-44	176.9	-72.9	-176.1	-2	0	0	111.8	S689 T690 Q695 Q696 Q697	S689-Q693 WeakPolarHBondContact O-CG 3.29Å; S689-Q693 PolarHBondContact O-N 2.96Å; T690-Q693 PolarHBondContact O-N 2.8Å; Q693-Q695 PolarHBondContact O-N 3.13Å; Q693-Q696 CarbonylContact O-C 3.59Å; Q693-Q696 PolarHBondContact O-N 2.82Å; Q693-Q697 VanDerWaalsContact O-CB 3.3Å; Q693-Q697 WeakPolarHBondContact O-CB 3.2Å; Q693-Q697 WeakPolarHBondContact O-CG 3.47Å; Q693-Q697 PolarHBondContact O-N 3.16Å
694	Q	38.1	Very low	31.9	Very low	92 Å²	92	110 Å²	110	43%	0.43	60%	0.597	S	S	.	*	H	α-helix	trans	-63.3	-39.4	177.2	-73.9	-178.5	-0.9	0	0	112.3	T690 C691 Q696 Q697 Q698	T690-Q694 WeakPolarHBondContact O-CB 3.4Å; T690-Q694 WeakPolarHBondContact O-CG 3.44Å; T690-Q694 PolarHBondContact O-N 3.01Å; C691-Q694 PolarHBondContact O-N 2.7Å; Q694-Q696 PolarHBondContact O-N 3.17Å; Q694-Q697 PolarHBondContact O-N 3.03Å; Q694-Q698 PolarHBondContact O-N 3.29Å
695	Q	36.7	Very low	32	Very low	109 Å²	109	114.1 Å²	114.1	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-71	-11.3	173.9	-70.9	-172.5	-5.7	0	0	114.3	C691 Q693	C691-Q695 WeakPolarHBondContact O-CB 3.29Å; C691-Q695 WeakPolarHBondContact O-CG 3.44Å; C691-Q695 PolarHBondContact O-N 2.82Å; Q693-Q695 PolarHBondContact O-N 3.13Å
696	Q	35.8	Very low	32.1	Very low	159 Å²	159	114.8 Å²	114.8	74%	0.743	60%	0.597	S	S	*	*	H	α-helix	trans	-109.1	-10.5	173.2	-68.2	-171.9	1.9	0	0	114.3	L692 Q693 Q694	L692-Q696 WeakPolarHBondContact O-CG 3.48Å; L692-Q696 PolarHBondContact O-N 3.08Å; Q693-Q696 CarbonylContact O-C 3.59Å; Q693-Q696 PolarHBondContact O-N 2.82Å; Q694-Q696 PolarHBondContact O-N 3.17Å
697	Q	31.8	Very low	31.8	Very low	135 Å²	135	113.9 Å²	113.9	63%	0.631	60%	0.6	S	S	*	*	H	α-helix	trans	-112.2	-7	-177.8	-68.6	-174.1	-23.1	0	0	114.8	Q693 Q694 S699	Q693-Q697 VanDerWaalsContact O-CB 3.3Å; Q693-Q697 WeakPolarHBondContact O-CB 3.2Å; Q693-Q697 WeakPolarHBondContact O-CG 3.47Å; Q693-Q697 PolarHBondContact O-N 3.16Å; Q694-Q697 PolarHBondContact O-N 3.03Å; Q697-S699 PolarHBondContact O-N 2.94Å
698	Q	28.4	Very low	31.4	Very low	178 Å²	178	114.1 Å²	114.1	83%	0.832	61%	0.609	S	S	*	*			trans	-77.4	68.6	166	-73.1	-166.3	-8	0	0	112.1	Q694	Q694-Q698 PolarHBondContact O-N 3.29Å
699	S	25.1	Very low	31	Very low	103 Å²	103	116.8 Å²	116.8	72%	0.72	63%	0.633	S	S	*	*			trans	-128.8	40.3	167.9	52.7	0	0	0	0	111.9	Q697	Q697-S699 PolarHBondContact O-N 2.94Å
700	L	25.4	Very low	30.5	Very low	138 Å²	138	118.2 Å²	118.2	72%	0.723	65%	0.654	S	S	*	*			trans	-118.8	136.7	176.1	-90.4	85	0	0	0	113.3
701	N	25	Very low	30	Very low	133 Å²	133	127 Å²	127	71%	0.711	68%	0.681	S	S	*	*			trans	65.6	59.4	150.9	-58.2	-5.8	0	0	0	118.6
702	V	25.4	Very low	29.6	Very low	145 Å²	145	133.7 Å²	133.7	88%	0.879	72%	0.715	S	S	*	*				-108.7	109.6	129.9	-179.5	0	0	0	0	107.4
703	I	25.1	Very low	29.3	Very low	135 Å²	135	132 Å²	132	69%	0.692	73%	0.726	S	S	*	*			trans	-76.8	124.9	-179	-62.5	170.9	0	0	0	108.6	Q705	I703-Q705 PolarHBondContact O-N 2.88Å
704	P	24.6	Very low	28.9	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	75%	0.747	S	S	*	*			trans	-78.5	100.3	174.4	31.2	-32.3	0	0	0	110	Q706	P704-Q706 PolarHBondContact O-N 3.22Å
705	Q	25.9	Very low	28.5	Very low	187 Å²	187	134.3 Å²	134.3	87%	0.874	76%	0.761	S	S	*	*			trans	-81.6	114.7	164.8	-81.8	-161.2	-42.8	0	0	110.3	I703	I703-Q705 PolarHBondContact O-N 2.88Å
706	Q	29	Very low	28.2	Very low	130 Å²	130	134.2 Å²	134.2	61%	0.607	77%	0.773	S	S	*	*			trans	-74.9	143.6	165.2	-75.3	178	-79.3	0	0	111	P704	P704-Q706 PolarHBondContact O-N 3.22Å
707	S	27.3	Very low	28	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	78%	0.778	S	S	*	*	S	Bend	trans	-8.4	130.3	154.7	53.9	0	0	0	0	119.2
708	C	25	Very low	28	Very low	114 Å²	114	135.5 Å²	135.5	77%	0.77	78%	0.782	S	S	*	*			trans	68.9	137.1	144	-59.6	0	0	0	0	119.8
709	T	28.7	Very low	28.2	Very low	147 Å²	147	133.7 Å²	133.7	90%	0.902	78%	0.783	S	S	*	*			trans	42.3	120.6	149.3	56.4	0	0	0	0	118.9
710	G	28.3	Very low	28.8	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	78%	0.78	S	S	*	*			cis	149.2	125.9	6.7	0	0	0	0	0	110.2
711	W	29.2	Very low	29.1	Very low	243 Å²	243	136.3 Å²	136.3	92%	0.92	79%	0.788	S	S	*	*			trans	67.6	112.6	174.7	-67.2	11.5	0	0	0	118.3
712	D	29.2	Very low	29.4	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	78%	0.783	S	S	*	*			trans	62.6	128.3	131.6	-49.7	-11.6	0	0	0	122.8
713	G	32.3	Very low	29.9	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	78%	0.778	S	S	*	*			trans	157.9	99.1	161.4	0	0	0	0	0	117.1
714	N	30.7	Very low	30.2	Very low	178 Å²	178	132.2 Å²	132.2	95%	0.952	78%	0.78	S	S	*	*			trans	-69.6	158.5	174.2	-62.6	-46.4	0	0	0	113.3
715	G	30.7	Very low	30.4	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	78%	0.778	S	S	*	*			trans	-159.8	-44.8	179.5	0	0	0	0	0	123.5
716	S	29.7	Very low	30.6	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	77%	0.773	S	S	*	*			trans	57.8	139.1	168.8	74.1	0	0	0	0	123.6
717	Y	30.8	Very low	30.5	Very low	220 Å²	220	133.1 Å²	133.1	86%	0.863	78%	0.778	S	S	*	*			trans	85.3	122.5	150.8	-68.9	-64.2	0	0	0	126
718	S	32.3	Very low	30.5	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	78%	0.781	S	S	*	*				94	91.8	124.1	64.5	0	0	0	0	127.4
719	V	32.4	Very low	30.6	Very low	141 Å²	141	133 Å²	133	86%	0.855	78%	0.779	S	S	*	*				57.8	174.9	123.2	-115.8	0	0	0	0	123.4
720	P	37.4	Very low	30.5	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	78%	0.776	S	S	*	*				-136.5	-171.8	-117.2	48.8	-30.1	0	0	0	118.7
721	Q	33	Very low	30.4	Very low	193 Å²	193	138.2 Å²	138.2	90%	0.902	78%	0.777	S	S	*	*			trans	-172.6	177.6	139.4	-103.2	165.1	21.5	0	0	115.3
722	F	29.6	Very low	30.2	Very low	137 Å²	137	132.3 Å²	132.3	60%	0.601	77%	0.768	S	S	*	*			trans	-130.6	-172.9	-163.1	-91.6	-112.7	0	0	0	111.9	P1087	F722-P1087 HydrophobicContact CE1-CG 3.92Å; F722-P1087 HydrophobicContact CZ-CG 3.83Å
723	P	37.5	Very low	30.2	Very low	120 Å²	120	133 Å²	133	78%	0.779	77%	0.77	S	S	*	*				-139.9	-173.9	-51.5	41.3	-23.6	0	0	0	116.2
724	G	30.6	Very low	29.9	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	77%	0.768	S	S	*	*			trans	175	98.9	162.4	0	0	0	0	0	123
725	I	29.8	Very low	29.8	Very low	141 Å²	141	135 Å²	135	72%	0.723	76%	0.762	S	S	*	*			trans	30	140.6	143.3	-2	176	0	0	0	127
726	Y	28.2	Very low	29.8	Very low	196 Å²	196	137.2 Å²	137.2	77%	0.769	77%	0.766	S	S	*	*			trans	113	129.3	137.2	-74	-54	0	0	0	125.1
727	T	28	Very low	29.6	Very low	118 Å²	118	141.5 Å²	141.5	72%	0.724	77%	0.771	S	S	*	*			trans	62.1	104.4	142.3	54.2	0	0	0	0	126.5
728	S	26.8	Very low	29.7	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	77%	0.767	S	S	*	*				56.1	131.5	118.9	71.3	0	0	0	0	126.4
729	S	26.6	Very low	29.3	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	77%	0.77	S	S	*	*				113.2	130.2	123.9	76	0	0	0	0	123.1
730	Q	26.7	Very low	29.3	Very low	180 Å²	180	136 Å²	136	84%	0.841	77%	0.765	S	S	*	*			trans	81.8	156.7	136.5	-89	-173.7	-4.5	0	0	125.1
731	I	27.2	Very low	28.8	Very low	147 Å²	147	136.3 Å²	136.3	75%	0.754	76%	0.764	S	S	*	*			trans	91.9	92.4	161	-67.5	150.8	0	0	0	120
732	T	25.2	Very low	28.6	Very low	118 Å²	118	136 Å²	136	72%	0.724	76%	0.762	S	S	*	*			trans	11	148.7	137.7	58.4	0	0	0	0	123.5
733	I	28.7	Very low	28.5	Very low	169 Å²	169	132.2 Å²	132.2	87%	0.867	76%	0.762	S	S	*	*				-158.4	163.9	113.4	-100.1	155.9	0	0	0	110.3
734	E	25.6	Very low	28.1	Very low	165 Å²	165	134.7 Å²	134.7	77%	0.771	77%	0.767	S	S	*	*			trans	-107.7	-170.2	-161.6	-53.5	-179.9	107.2	0	0	115.5
735	T	29.7	Very low	27.9	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	77%	0.769	S	S	*	*			trans	79.5	143.5	167.2	73.1	0	0	0	0	117.1
736	S	30.2	Very low	27.9	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	77%	0.765	S	S	*	*			cis	-158.5	159.9	-10.6	39.8	0	0	0	0	112.5
737	K	25.3	Very low	27.9	Very low	198 Å²	198	136 Å²	136	86%	0.861	77%	0.768	S	S	*	*			trans	-89.1	-179.6	163.5	-56.1	-179.6	180	176.3	0	109.6
738	P	33.4	Very low	27.9	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	76%	0.764	S	S	*	*			cis	-136.4	-163.8	1.5	39.9	-18.3	0	0	0	115.4
739	C	22.5	Very low	28	Very low	113 Å²	113	139.9 Å²	139.9	76%	0.764	76%	0.764	S	S	*	*			trans	-60	-176.9	166.9	-33.7	0	0	0	0	112.5
740	P	33	Very low	27.9	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	76%	0.763	S	S	*	*			cis	-155.8	-163	29.1	33.8	-4.7	0	0	0	119.1
741	V	27.4	Very low	27.9	Very low	108 Å²	108	138.7 Å²	138.7	66%	0.655	75%	0.749	S	S	*	*			trans	80.7	146.7	152.1	-125	0	0	0	0	123.8
742	H	29.1	Very low	27.9	Very low	185 Å²	185	141 Å²	141	86%	0.856	76%	0.759	S	S	*	*			trans	71.9	148.2	160.3	-59.3	-58.9	0	0	0	118.9
743	G	26.5	Very low	27.9	Very low	58 Å²	58	141.9 Å²	141.9	60%	0.598	76%	0.759	S	S	*	*			cis	157.2	170.2	-5.8	0	0	0	0	0	113
744	I	30.7	Very low	27.8	Very low	173 Å²	173	140 Å²	140	89%	0.887	76%	0.76	S	S	*	*			trans	73.2	114.3	179.5	-47.8	163.1	0	0	0	113.5
745	M	26.3	Very low	27.9	Very low	158 Å²	158	138.2 Å²	138.2	78%	0.778	76%	0.755	S	S	*	*			cis	105	127.4	-4	-145	-165.8	-174.1	0	0	118.6
746	N	27.9	Very low	27.9	Very low	117 Å²	117	140.1 Å²	140.1	63%	0.626	76%	0.757	S	S	*	*			trans	77.5	130.7	158.5	-65.4	-31.7	0	0	0	122.3
747	L	28.8	Very low	28	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	76%	0.756	S	S	*	*				-164.3	114.6	98.9	-88.3	155.9	0	0	0	107.7
748	K	27.6	Very low	28.3	Very low	147 Å²	147	137.2 Å²	137.2	64%	0.639	75%	0.753	S	S	*	*				65	148.6	89.2	-79.4	-152.6	174.4	-166.2	0	114.8	E751	K748-E751 WeakPolarHBondContact CE-OE1 3.11Å; K748-E751 IonicContact NZ-OE1 2.66Å; K748-E751 PolarHBondContact NZ-OE1 3.35Å
749	Q	28.5	Very low	28	Very low	155 Å²	155	138.4 Å²	138.4	72%	0.724	75%	0.753	S	S	*	*			cis	-128	-177.1	15.8	-56.1	167	-91.7	0	0	110.7
750	M	26.2	Very low	28.5	Very low	139 Å²	139	138.2 Å²	138.2	69%	0.685	75%	0.748	S	S	*	*			cis	-156.6	118.3	0.5	-137.4	148.1	174.2	0	0	105.8
751	E	25.1	Very low	28.2	Very low	119 Å²	119	138.1 Å²	138.1	56%	0.556	75%	0.746	S	S	*	*				75.4	110.5	82.6	-71.9	173.2	-176.1	0	0	117.3	K748	K748-E751 WeakPolarHBondContact CE-OE1 3.11Å; K748-E751 IonicContact NZ-OE1 2.66Å; K748-E751 PolarHBondContact NZ-OE1 3.35Å
752	M	27.9	Very low	28.4	Very low	196 Å²	196	140.4 Å²	140.4	97%	0.966	75%	0.753	S	S	*	*				-155.9	140.9	125.8	-115.1	-174.5	175.6	0	0	110.6
753	N	24.4	Very low	28.3	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	75%	0.748	S	S	*	*			trans	-118.8	159.5	-169.1	-95.2	15.9	0	0	0	112.7
754	C	28.3	Very low	28.4	Very low	130 Å²	130	139.5 Å²	139.5	88%	0.878	75%	0.747	S	S	*	*			trans	177.1	141.5	139	-91.4	0	0	0	0	109
755	D	27.7	Very low	28.3	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	74%	0.738	S	S	*	*			cis	178.4	158.4	-42.7	-111.9	-50.9	0	0	0	107.5
756	M	29.8	Very low	28.6	Very low	176 Å²	176	138.6 Å²	138.6	87%	0.867	74%	0.741	S	S	*	*			trans	102.2	119.8	161.5	-52.7	-130.9	78.5	0	0	121.3
757	P	31.3	Very low	28.7	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	74%	0.74	S	S	*	*			trans	-129	161.6	169.9	41.3	-29	0	0	0	116.2
758	V	32.7	Very low	28.6	Very low	132 Å²	132	136.3 Å²	136.3	80%	0.8	74%	0.74	S	S	*	*			trans	-150.4	130.3	165.5	-153	0	0	0	0	106.9
759	N	26.5	Very low	28.6	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	75%	0.745	S	S	*	*				60.3	143.8	62.2	-80.4	-2.9	0	0	0	114.1
760	T	32.1	Very low	28.5	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	75%	0.747	S	S	*	*			cis	-157.9	145	12.5	-5.4	0	0	0	0	113
761	T	27	Very low	28.5	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.693	75%	0.747	S	S	*	*			trans	11.6	145.2	143.9	59	0	0	0	0	123.5
762	I	31.1	Very low	28.5	Very low	155 Å²	155	137.9 Å²	137.9	80%	0.795	76%	0.758	S	S	*	*				176.8	148	112.3	-90.5	159.4	0	0	0	114.2
763	D	28.3	Very low	28.8	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	74%	0.74	S	S	*	*			trans	-46.3	172.4	169.1	-67	-64.9	0	0	0	118.9
764	S	27.4	Very low	28.9	Very low	83 Å²	83	132.5 Å²	132.5	58%	0.58	74%	0.738	S	S	*	*			cis	-174.2	-176.9	-17.2	55.7	0	0	0	0	111.1
765	N	30.1	Very low	28.8	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	73%	0.733	S	S	*	*			trans	84.6	135.9	155.4	-64.2	-33.7	0	0	0	122.7
766	H	32.2	Very low	28.6	Very low	181 Å²	181	138.4 Å²	138.4	84%	0.838	74%	0.739	S	S	*	*			trans	63.5	154.1	158.3	-58.6	-46.5	0	0	0	120.4
767	A	30.3	Very low	28.4	Very low	74 Å²	74	137 Å²	137	61%	0.612	73%	0.728	S	S	*	*			cis	-167.4	136.7	-32.4	0	0	0	0	0	111.4
768	N	25.9	Very low	28.1	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	72%	0.722	S	S	*	*			trans	64.3	163.1	153.3	-73.4	-25.3	0	0	0	122.4
769	T	28.4	Very low	27.8	Very low	124 Å²	124	135.5 Å²	135.5	76%	0.761	71%	0.712	S	S	*	*			trans	74.4	87.4	158.1	33.2	0	0	0	0	121.8
770	K	27	Very low	27.6	Very low	175 Å²	175	133.5 Å²	133.5	76%	0.761	71%	0.71	S	S	*	*				64.9	117.2	116.8	-73.1	-177.2	169.9	-171.6	0	122.6
771	Q	25.4	Very low	27.3	Very low	144 Å²	144	135.3 Å²	135.3	67%	0.673	71%	0.714	S	S	*	*				80.9	107	123.6	-67.7	-176.9	-82.5	0	0	122.9
772	L	25.8	Very low	27.2	Very low	151 Å²	151	136.3 Å²	136.3	79%	0.791	71%	0.706	S	S	*	*				72.2	164.4	122.3	-95.1	70.5	0	0	0	119.9
773	P	33.1	Very low	27	Very low	91 Å²	91	135.7 Å²	135.7	59%	0.591	69%	0.694	S	S	*	*				-141	-163.4	-70.4	38.2	-15.9	0	0	0	114.5
774	N	25.8	Very low	26.9	Very low	127 Å²	127	132.1 Å²	132.1	68%	0.679	67%	0.674	S	S	*	*			trans	80.4	152	170.4	-45.9	-49.8	0	0	0	115.2
775	Y	26.3	Very low	27	Very low	198 Å²	198	135.9 Å²	135.9	78%	0.776	68%	0.682	S	S	*	*			cis	-137.6	149.7	19.9	-104.8	-85.8	0	0	0	115.7
776	K	24.7	Very low	26.9	Very low	183 Å²	183	131.5 Å²	131.5	80%	0.796	66%	0.662	S	S	*	*			trans	-19.8	141.5	162	-50.4	173.4	-178.1	-176.8	0	118.7
777	K	25	Very low	26.7	Very low	146 Å²	146	128.9 Å²	128.9	64%	0.635	65%	0.654	S	S	*	*				-159.6	173.3	98.3	-129.1	-169.7	175.2	-165.8	0	113.3	L1202	K777-L1202 HydrophobicContact CD-CD1 4.32Å
778	V	25	Very low	26.7	Very low	108 Å²	108	131 Å²	131	66%	0.655	67%	0.665	S	S	*	*			trans	-127.4	149.4	-166.8	169.8	0	0	0	0	109.1
779	D	26.1	Very low	26.7	Very low	111 Å²	111	128.7 Å²	128.7	59%	0.594	66%	0.661	S	S	*	*			trans	-167.2	137.8	132	-95.2	-11.6	0	0	0	110.2
780	S	23.1	Very low	26.6	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	66%	0.66	S	S	*	*			trans	-140.5	94.5	-169.7	58	0	0	0	0	111.4
781	I	25.1	Very low	26.6	Very low	146 Å²	146	127.2 Å²	127.2	75%	0.749	66%	0.659	S	S	*	*			trans	-135.1	108.5	175.6	-63.7	-178.9	0	0	0	110.6
782	Y	25.3	Very low	26.7	Very low	133 Å²	133	128 Å²	128	52%	0.522	67%	0.668	S	S	.	*			trans	4.4	117.6	143.1	-130.3	-101.5	0	0	0	118.4	E114	E114-Y782 WeakPolarHBondContact OE1-CE2 3.49Å; E114-Y782 PolarHBondContact OE1-OH 2.82Å; E114-Y782 PolarHBondContact OE2-OH 3.27Å
783	W	27.2	Very low	26.8	Very low	143 Å²	143	126.9 Å²	126.9	54%	0.542	67%	0.667	S	S	.	*			trans	-138.4	144.8	161.3	-84.4	69.8	0	0	0	109.9	T279	T279-W783 VanDerWaalsContact CB-CH2 3.41Å; T279-W783 HydrophobicContact CG2-CH2 3.86Å; T279-W783 HydrophobicContact CG2-CZ3 4.15Å; T279-W783 WeakPolarHBondContact OG1-CH2 3.32Å; T279-W783 WeakPolarHBondContact OG1-CZ3 3.26Å
784	D	26.3	Very low	26.5	Very low	66 Å²	66	129.6 Å²	129.6	35%	0.353	68%	0.677	S	S	.	*			trans	-68.5	130	-171.6	-75.8	-46.1	0	0	0	113.7	R138	R138-D784 IonicContact CZ-OD1 2.69Å; R138-D784 IonicContact NH1-OD1 2.69Å; R138-D784 PolarHBondContact NH1-OD1 3.33Å; R138-D784 IonicContact NH2-OD1 2.66Å; R138-D784 PolarHBondContact NH2-OD1 2.93Å
785	H	29.7	Very low	26.6	Very low	162 Å²	162	128.4 Å²	128.4	75%	0.75	68%	0.676	S	S	*	*			trans	-103.4	47.6	171.6	-81.2	-42	0	0	0	113.5	N787	H785-N787 PolarHBondContact O-N 3.08Å
786	S	27.8	Very low	26.7	Very low	38 Å²	38	127.2 Å²	127.2	27%	0.266	68%	0.677	S	S	.	*			trans	-86.4	80.1	162.9	43.1	0	0	0	0	110	K278	K278-S786 PolarHBondContact NZ-OG 3.4Å
787	N	28.5	Very low	26.7	Very low	126 Å²	126	126.2 Å²	126.2	67%	0.674	68%	0.68	S	S	*	*			trans	-145.6	64.2	-172.4	-140.9	12.7	0	0	0	115.5	H785	H785-N787 PolarHBondContact O-N 3.08Å
788	S	28.5	Very low	26.8	Very low	120 Å²	120	124.9 Å²	124.9	84%	0.839	69%	0.689	S	S	*	*	S	Bend	trans	-158.6	118.9	156.5	57.4	0	0	0	0	108.7
789	S	26.4	Very low	26.8	Very low	106 Å²	106	128.5 Å²	128.5	74%	0.741	69%	0.692	S	S	*	*			cis	-143.9	108.6	3.8	54.8	0	0	0	0	112.4	I791	S789-I791 PolarHBondContact O-N 3.23Å
790	T	27.4	Very low	26.8	Very low	121 Å²	121	126 Å²	126	74%	0.742	68%	0.678	S	S	*	*			trans	-86.4	88	170.6	35.8	0	0	0	0	111.1
791	I	26.9	Very low	27.1	Very low	147 Å²	147	126.6 Å²	126.6	75%	0.754	67%	0.673	S	S	*	*			trans	-83.1	118	164.3	-65.1	179.7	0	0	0	108.2	S789	S789-I791 PolarHBondContact O-N 3.23Å
792	L	25.9	Very low	27.1	Very low	162 Å²	162	124.1 Å²	124.1	85%	0.848	67%	0.669	S	S	*	*			trans	-70.5	129.5	168.7	-70.7	111.7	0	0	0	110.4
793	T	28	Very low	27.3	Very low	127 Å²	127	124.5 Å²	124.5	78%	0.779	68%	0.679	S	S	*	*			trans	-145.9	120.9	150.6	50.3	0	0	0	0	110.4
794	D	27.6	Very low	27.2	Very low	148 Å²	148	122.7 Å²	122.7	79%	0.791	69%	0.687	S	S	*	*			trans	-61.5	144.4	164	-75.1	-70.2	0	0	0	111.5	H796	D794-H796 PolarHBondContact O-N 3.37Å
795	P	27.5	Very low	27.2	Very low	102 Å²	102	126.2 Å²	126.2	66%	0.662	71%	0.705	S	S	*	*	S	Bend	trans	-94.6	62.7	177.9	37.8	-35.5	0	0	0	113
796	H	28.1	Very low	26.9	Very low	172 Å²	172	127 Å²	127	80%	0.796	71%	0.707	S	S	*	*			trans	-150.2	140	166.8	-81.7	-49.6	0	0	0	114.7	D794	D794-H796 PolarHBondContact O-N 3.37Å
797	L	25.7	Very low	26.7	Very low	163 Å²	163	132.3 Å²	132.3	85%	0.853	73%	0.731	S	S	*	*			trans	74.5	152.4	169.4	-88	73.8	0	0	0	120.9
798	S	26.1	Very low	26.5	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	73%	0.734	S	S	*	*			trans	73.1	78.5	160.1	58.8	0	0	0	0	121
799	Y	26.5	Very low	26.4	Very low	184 Å²	184	131.4 Å²	131.4	72%	0.722	72%	0.724	S	S	*	*			trans	-41	125.6	138.7	-89.6	-150.8	0	0	0	114.7	I1175	Y799-I1175 HydrophobicContact CD1-CD1 3.63Å; Y799-I1175 HydrophobicContact CD2-CD1 3.62Å; Y799-I1175 HydrophobicContact CE1-CD1 3.31Å; Y799-I1175 HydrophobicContact CE2-CD1 3.33Å; Y799-I1175 HydrophobicContact CG-CD1 3.76Å
800	N	26.1	Very low	26.6	Very low	57 Å²	57	134.4 Å²	134.4	31%	0.305	73%	0.726	S	S	.	*				117.7	130.9	107.4	-74.3	-2.9	0	0	0	128.1	S1173 M1174 I1175	N800-S1173 PolarHBondContact O-N 3.44Å; N800-M1174 CarbonylContact C-O 3.6Å; N800-M1174 VanDerWaalsContact C-O 3.29Å; N800-M1174 WeakPolarHBondContact CA-O 3.48Å; N800-M1174 VanDerWaalsContact CB-C 3.4Å; N800-M1174 WeakPolarHBondContact CB-O 3.44Å; N800-M1174 VanDerWaalsContact ND2-C 3.35Å; N800-M1174 VanDerWaalsContact ND2-CA 3.26Å; N800-M1174 WeakPolarHBondContact ND2-CA 3.37Å; N800-M1174 PolarHBondContact OD1-O 3.22Å; N800-I1175 WeakPolarHBondContact OD1-CB 3.4Å; N800-I1175 WeakPolarHBondContact OD1-CD1 3.34Å; N800-I1175 WeakPolarHBondContact OD1-CG1 3.49Å; N800-I1175 PolarHBondContact OD1-N 2.84Å
801	L	27.7	Very low	26.6	Very low	117 Å²	117	133.7 Å²	133.7	61%	0.613	72%	0.718	S	S	*	*			trans	46.6	136.9	162	-98.7	172.4	0	0	0	123.8	M1174	L801-M1174 VanDerWaalsContact CA-O 3.25Å; L801-M1174 WeakPolarHBondContact CA-O 3.21Å; L801-M1174 WeakPolarHBondContact CB-O 3.49Å; L801-M1174 HydrophobicContact CD1-CB 3.73Å; L801-M1174 WeakPolarHBondContact CD1-O 3.45Å; L801-M1174 WeakPolarHBondContact CG-O 3.08Å; L801-M1174 PolarHBondContact N-O 3.4Å
802	S	25.4	Very low	26.8	Very low	95 Å²	95	133.9 Å²	133.9	66%	0.664	72%	0.715	S	S	*	*				-169.5	165.9	97.7	56.4	0	0	0	0	109.1
803	N	28.9	Very low	27	Very low	140 Å²	140	130.9 Å²	130.9	75%	0.749	70%	0.7	S	S	*	*			cis	-158.5	175.4	21.5	-131	-40.2	0	0	0	112.9
804	C	25.4	Very low	27.2	Very low	105 Å²	105	132.7 Å²	132.7	71%	0.709	70%	0.7	S	S	*	*			trans	97.6	127.8	167.4	-59.6	0	0	0	0	118.6
805	I	26.3	Very low	27.2	Very low	140 Å²	140	131.8 Å²	131.8	72%	0.718	69%	0.693	S	S	*	*			cis	-155.4	135.6	-6.6	-120.4	162.1	0	0	0	111.2
806	F	23.9	Very low	27.4	Very low	179 Å²	179	133.7 Å²	133.7	79%	0.785	70%	0.703	S	S	*	*			trans	71.1	140.8	155.4	-87.7	-116.2	0	0	0	124.6
807	L	24.5	Very low	27.3	Very low	149 Å²	149	133.1 Å²	133.1	78%	0.78	71%	0.706	S	S	*	*			trans	69.4	134.8	159	-61.1	164.3	0	0	0	119.4
808	D	23.7	Very low	27.6	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	70%	0.704	S	S	*	*			cis	-162.2	168.1	-23.9	-155.5	-6	0	0	0	110.8
809	S	27.3	Very low	27.7	Very low	91 Å²	91	129 Å²	129	64%	0.636	70%	0.699	S	S	*	*			trans	73	104.4	161.4	70.4	0	0	0	0	120.3
810	Q	28.9	Very low	28	Very low	169 Å²	169	129.2 Å²	129.2	79%	0.79	71%	0.705	S	S	*	*				55.6	143.8	112.1	-66.3	-176.6	27.6	0	0	120.2
811	N	28.7	Very low	28.2	Very low	105 Å²	105	137.6 Å²	137.6	56%	0.561	73%	0.733	S	S	*	*			cis	-169	162.4	3.5	-118.8	-11.1	0	0	0	112.7
812	H	31.7	Very low	28.4	Very low	152 Å²	152	136.7 Å²	136.7	70%	0.704	74%	0.736	S	S	*	*			trans	60.6	152.1	147.6	-68.2	-44.1	0	0	0	121.4
813	D	28.6	Very low	28.7	Very low	98 Å²	98	138.4 Å²	138.4	52%	0.524	74%	0.738	S	S	.	*			cis	-168.5	-176.7	-29.6	-137.8	-57	0	0	0	111
814	H	32.9	Very low	28.9	Very low	166 Å²	166	137.3 Å²	137.3	77%	0.769	73%	0.732	S	S	*	*			trans	75.7	120.7	169.3	-50.3	-51.5	0	0	0	116.9
815	I	27.8	Very low	29.3	Very low	129 Å²	129	139.3 Å²	139.3	66%	0.662	73%	0.731	S	S	*	*			cis	82.4	108.4	28.6	-49	161.2	0	0	0	114.6
816	T	31.9	Very low	29.4	Very low	141 Å²	141	140.7 Å²	140.7	87%	0.865	73%	0.734	S	S	*	*				-174.8	154.1	122.8	20.3	0	0	0	0	113.6
817	N	26.1	Very low	29.6	Very low	161 Å²	161	142 Å²	142	86%	0.861	74%	0.739	S	S	*	*			trans	-91	165	-172.7	-63.1	-49.6	0	0	0	114.3
818	G	31.1	Very low	29.6	Very low	78 Å²	78	142 Å²	142	80%	0.804	74%	0.74	S	S	*	*			trans	-155.6	121.6	158.3	0	0	0	0	0	111.8
819	T	28.1	Very low	29.8	Very low	117 Å²	117	143.9 Å²	143.9	72%	0.718	75%	0.745	S	S	*	*			trans	-139.8	135.8	-167.8	57	0	0	0	0	114.8
820	H	33.4	Very low	29.6	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.866	75%	0.751	S	S	*	*			trans	-138	124.8	155.3	-78	-101.4	0	0	0	106
821	R	29.7	Very low	29.4	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	75%	0.753	S	S	*	*				58.7	129.9	58	-72.9	-173.8	168.2	173.3	-3.2	112.1
822	S	32.9	Very low	29.2	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	76%	0.758	S	S	*	*			cis	-159.4	147.9	29	50.4	0	0	0	0	115.5
823	N	31.9	Very low	28.8	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	76%	0.756	S	S	*	*			trans	69	147	141.9	-67.4	42.4	0	0	0	120
824	D	32.8	Very low	28.8	Very low	116 Å²	116	150.4 Å²	150.4	62%	0.62	77%	0.772	S	S	*	*			cis	-155.8	152	-4.7	-100.2	-21.2	0	0	0	115.2
825	H	32.9	Very low	28.4	Very low	147 Å²	147	148.3 Å²	148.3	68%	0.681	77%	0.767	S	S	*	*			trans	27.6	112	150	-71.1	-85.5	0	0	0	122.1
826	Q	28.4	Very low	28.3	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.794	77%	0.773	S	S	*	*				79.7	113.4	84.1	-81.7	-172.6	-24.6	0	0	118
827	K	28.3	Very low	28	Very low	205 Å²	205	150 Å²	150	89%	0.891	77%	0.766	S	S	*	*				-167	157.1	116.7	-119.6	-176.5	177.7	-174.2	0	113.8
828	N	25	Very low	28.1	Very low	149 Å²	149	152.3 Å²	152.3	80%	0.797	77%	0.768	S	S	*	*			trans	-110.1	-176	177.6	-73.6	-14.4	0	0	0	111.4
829	E	27.1	Very low	27.9	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	77%	0.766	S	S	*	*			trans	83.2	122.7	167.4	-55.3	174.8	157.9	0	0	114.2
830	I	23.8	Very low	27.8	Very low	150 Å²	150	156.5 Å²	156.5	77%	0.769	77%	0.773	S	S	*	*			cis	112.6	140.9	29.8	-80.1	168.3	0	0	0	110
831	E	23.8	Very low	27.4	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	77%	0.771	S	S	*	*			trans	69.7	149.6	173.3	-81.4	-174.4	-165.7	0	0	118.1
832	V	24.1	Very low	27.3	Very low	110 Å²	110	147.8 Å²	147.8	67%	0.667	77%	0.769	S	S	*	*			cis	-163.5	151.8	-26.5	103.4	0	0	0	0	112.4
833	I	23.9	Very low	27	Very low	128 Å²	128	153.1 Å²	153.1	66%	0.656	78%	0.776	S	S	*	*			trans	17.8	122.9	157.6	-52.4	150.9	0	0	0	121
834	Q	28	Very low	26.9	Very low	186 Å²	186	155 Å²	155	87%	0.869	78%	0.78	S	S	*	*				-177	110.5	124.2	-101.1	164.8	58.6	0	0	111.5
835	N	25.7	Very low	26.6	Very low	122 Å²	122	153.7 Å²	153.7	65%	0.652	77%	0.773	S	S	*	*				63.3	99.6	85.1	-95.7	1.1	0	0	0	117.3
836	Y	26.3	Very low	26.3	Very low	205 Å²	205	153.3 Å²	153.3	80%	0.804	77%	0.773	S	S	*	*				172.6	134.2	99.4	-103.1	-71.4	0	0	0	116.5
837	S	24.7	Very low	26.3	Very low	102 Å²	102	152.2 Å²	152.2	71%	0.713	77%	0.766	S	S	*	*			trans	55	117.4	146.9	63.9	0	0	0	0	123.1
838	K	27.5	Very low	26.4	Very low	208 Å²	208	146.3 Å²	146.3	90%	0.904	74%	0.744	S	S	*	*				-158.1	164.1	127	-105.8	165.2	-176.8	178.6	0	109.7
839	P	28.5	Very low	26.5	Very low	116 Å²	116	150 Å²	150	75%	0.753	75%	0.749	S	S	*	*			trans	-101.1	172.1	-138.8	38.6	-40.3	0	0	0	118.1
840	L	24.7	Very low	26.7	Very low	168 Å²	168	146.8 Å²	146.8	88%	0.88	75%	0.745	S	S	*	*			trans	-54.7	139.5	171.2	-82.7	58.4	0	0	0	114
841	S	26	Very low	27	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	75%	0.749	S	S	*	*			trans	-166.5	74.4	154.2	61.2	0	0	0	0	114.4
842	S	27.9	Very low	27.1	Very low	122 Å²	122	146 Å²	146	85%	0.853	75%	0.747	S	S	*	*			trans	-173.5	55.2	163	49.2	0	0	0	0	113.7
843	Y	25.7	Very low	27.4	Very low	210 Å²	210	146.3 Å²	146.3	82%	0.824	74%	0.741	S	S	*	*			trans	-112.1	116.4	170.8	-123.1	-91	0	0	0	109.4
844	H	29.2	Very low	27.6	Very low	171 Å²	171	146.7 Å²	146.7	79%	0.792	74%	0.738	S	S	*	*			trans	-139.5	144.3	172.1	-99.1	-91.3	0	0	0	111.3
845	D	27.1	Very low	27.6	Very low	88 Å²	88	142.9 Å²	142.9	47%	0.471	74%	0.738	S	S	.	*			trans	57.9	54.5	166	-60.7	-38.6	0	0	0	119.6	K273	K273-D845 WeakPolarHBondContact CE-O 3.41Å; K273-D845 PolarHBondContact NZ-O 2.95Å
846	M	26.7	Very low	27.7	Very low	139 Å²	139	143.8 Å²	143.8	69%	0.685	74%	0.743	S	S	*	*			trans	-93.5	97.2	132.5	-99.5	-172.3	162.9	0	0	110.2
847	K	27.4	Very low	27.7	Very low	147 Å²	147	140.7 Å²	140.7	64%	0.639	74%	0.739	S	S	*	*			trans	-111.8	93	165.3	-78.9	180	-178.9	163.6	0	109.4	Y215	Y215-K847 PolarHBondContact OH-O 2.93Å
848	D	30.3	Very low	28	Very low	82 Å²	82	142.1 Å²	142.1	44%	0.439	74%	0.739	S	S	.	*			trans	-136.4	133.4	143	-79.4	-63	0	0	0	109.1	Y190 Y215	Y190-D848 PolarHBondContact OH-OD1 3.04Å; Y215-D848 WeakPolarHBondContact CE1-OD2 3.47Å; Y215-D848 VanDerWaalsContact OH-CG 3.28Å; Y215-D848 PolarHBondContact OH-OD1 3.4Å; Y215-D848 PolarHBondContact OH-OD2 3.28Å
849	Y	28.8	Very low	27.9	Very low	227 Å²	227	141.4 Å²	141.4	89%	0.89	74%	0.739	S	S	*	*			trans	-149.5	114.4	-173.1	-120.1	-80.9	0	0	0	108.7
850	S	30.4	Very low	28	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	74%	0.743	S	S	*	*			trans	-150.7	122.5	146.2	49.2	0	0	0	0	112.3
851	L	29.6	Very low	28	Very low	162 Å²	162	141.4 Å²	141.4	85%	0.848	74%	0.738	S	S	*	*			trans	65.5	87.4	148.9	-57.8	169.7	0	0	0	119.1
852	L	27.5	Very low	28.2	Very low	149 Å²	149	144.5 Å²	144.5	78%	0.78	75%	0.745	S	S	*	*				-172.5	138.2	121.5	-91.8	174.1	0	0	0	107.5
853	Q	30	Very low	28	Very low	116 Å²	116	145.8 Å²	145.8	54%	0.542	74%	0.737	S	S	.	*			cis	-157.8	156.3	-30.5	-158.1	175.1	-11.1	0	0	107.9	D58	D58-Q853 PolarHBondContact OD2-NE2 3.27Å
854	K	27.7	Very low	28	Very low	137 Å²	137	146.7 Å²	146.7	60%	0.596	74%	0.74	S	S	*	*			trans	-117	111.9	172.7	-102.2	177.6	176.3	157.2	0	111	N1213	K854-N1213 PolarHBondContact NZ-OD1 3.47Å
855	A	29.1	Very low	27.9	Very low	105 Å²	105	144.1 Å²	144.1	87%	0.868	74%	0.741	S	S	*	*				-172	133	128.6	0	0	0	0	0	110.9
856	N	26.3	Very low	27.9	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	75%	0.754	S	S	*	*			trans	-95.3	149.6	164.6	170.2	29.5	0	0	0	107.9
857	L	27.7	Very low	28	Very low	140 Å²	140	146.3 Å²	146.3	73%	0.733	76%	0.76	S	S	*	*			trans	-179.2	133.4	132.8	-95.8	158	0	0	0	113.5
858	N	29.5	Very low	28.1	Very low	132 Å²	132	144.6 Å²	144.6	71%	0.706	77%	0.766	S	S	*	*			trans	65.7	103.4	152.5	-60.3	-13.5	0	0	0	120.6
859	E	25.7	Very low	27.9	Very low	194 Å²	194	151.7 Å²	151.7	91%	0.907	79%	0.787	S	S	*	*			trans	-65.8	150.7	147.5	-60.2	175.4	124.4	0	0	111
860	V	31.9	Very low	28	Very low	136 Å²	136	146.8 Å²	146.8	82%	0.824	79%	0.786	S	S	*	*			trans	-131.2	127.8	160.4	176.4	0	0	0	0	108.3
861	N	24.4	Very low	27.9	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	79%	0.788	S	S	*	*			trans	-66.2	145.6	178.2	-68.3	-73.2	0	0	0	112.1
862	L	29.3	Very low	27.9	Very low	181 Å²	181	145.8 Å²	145.8	95%	0.948	79%	0.786	S	S	*	*			trans	-151.3	155.5	142.4	-107.7	163.3	0	0	0	109.2
863	Q	24.6	Very low	28.1	Very low	148 Å²	148	144.6 Å²	144.6	69%	0.692	79%	0.785	S	S	*	*			trans	-140.9	160.7	-147.7	-135.4	-175.5	-22.1	0	0	113.7
864	W	24.8	Very low	28	Very low	230 Å²	230	145.1 Å²	145.1	87%	0.871	80%	0.8	S	S	*	*			trans	77.2	156.5	168	-53.9	-12.3	0	0	0	115.6
865	S	27.7	Very low	28.3	Very low	117 Å²	117	144 Å²	144	82%	0.818	81%	0.807	S	S	*	*			cis	-132.6	168.4	12.1	56.8	0	0	0	0	114.6
866	T	26.5	Very low	28.6	Very low	123 Å²	123	145 Å²	145	76%	0.755	80%	0.802	S	S	*	*			trans	-97.9	158.8	175.7	48.9	0	0	0	0	111.1
867	D	28.4	Very low	28.9	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	81%	0.805	S	S	*	*				-171.1	168	113.9	-125.4	-41.3	0	0	0	117.5
868	S	30.3	Very low	29	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	81%	0.806	S	S	*	*			trans	82.3	123.4	154.7	73.1	0	0	0	0	120.1
869	R	26.4	Very low	29	Very low	231 Å²	231	144.2 Å²	144.2	87%	0.872	81%	0.81	S	S	*	*			trans	-92.6	165	175.5	-60	161.2	164.5	154.8	-9.7	111.1
870	S	31	Very low	29.4	Very low	124 Å²	124	143 Å²	143	87%	0.867	80%	0.804	S	S	*	*				-142.3	159.7	128	59.7	0	0	0	0	110.5
871	Q	27.5	Very low	29.3	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	80%	0.795	S	S	*	*			trans	-129.4	151.7	-178.1	-65.6	-179.2	-76.9	0	0	110.2
872	G	29.6	Very low	29.6	Very low	78 Å²	78	142 Å²	142	80%	0.804	80%	0.797	S	S	*	*			trans	-147.5	121.8	168.1	0	0	0	0	0	110.4
873	T	31	Very low	29.6	Very low	124 Å²	124	138 Å²	138	76%	0.761	79%	0.785	S	S	*	*			trans	-134.6	143.9	-173.7	49.7	0	0	0	0	111.2
874	C	28.2	Very low	29.8	Very low	128 Å²	128	141.2 Å²	141.2	87%	0.865	79%	0.79	S	S	*	*			trans	-172	158.2	134.3	-98.4	0	0	0	0	112.9
875	P	34.9	Very low	30.1	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	79%	0.788	S	S	*	*			trans	-116.5	-166.5	-176.9	43.4	-32.1	0	0	0	113
876	V	34.2	Very low	30.2	Very low	126 Å²	126	140.8 Å²	140.8	76%	0.764	78%	0.779	S	S	*	*			trans	175.2	125.6	134.1	148.4	0	0	0	0	114.7
877	H	32.6	Very low	30.4	Very low	178 Å²	178	141.5 Å²	141.5	82%	0.824	78%	0.779	S	S	*	*			trans	45.9	148.6	148.4	-72.4	-107.6	0	0	0	127.1
878	G	31.3	Very low	30.7	Very low	74 Å²	74	139.3 Å²	139.3	76%	0.763	77%	0.773	S	S	*	*			trans	126.4	70.2	154.1	0	0	0	0	0	116.1
879	N	29.7	Very low	30.6	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	77%	0.773	S	S	*	*				93	148.6	53.1	-155.3	15.7	0	0	0	114.3
880	Q	34	Very low	30.6	Very low	168 Å²	168	137.2 Å²	137.2	79%	0.785	76%	0.762	S	S	*	*			trans	73.1	144.2	177	-68.4	-169	8.1	0	0	119.7
881	T	29.8	Very low	30.7	Very low	105 Å²	105	139.8 Å²	139.8	64%	0.644	76%	0.76	S	S	*	*			cis	-164.4	168	-39.9	-0.1	0	0	0	0	112.4
882	L	29.7	Very low	30.8	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	76%	0.756	S	S	*	*			trans	69.9	157.3	156.3	-68.8	153	0	0	0	117.6
883	S	29.5	Very low	30.9	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	75%	0.748	S	S	*	*			cis	167	153.5	-20.4	167.5	0	0	0	0	108.5
884	R	28.7	Very low	30.9	Very low	214 Å²	214	141.2 Å²	141.2	81%	0.808	74%	0.742	S	S	*	*			cis	177.4	174.3	-17.6	-176.3	177	179.8	-178.7	2.7	106.7
885	R	31.2	Very low	31.1	Very low	219 Å²	219	144.3 Å²	144.3	83%	0.826	74%	0.744	S	S	*	*			trans	96.8	123.8	168.4	-65.9	-175.7	167	148.5	-3.1	115.2
886	N	30.3	Very low	30.8	Very low	119 Å²	119	145.2 Å²	145.2	64%	0.636	74%	0.742	S	S	*	*			cis	84.8	136.2	48.1	-74.4	61	0	0	0	110.8
887	D	31.1	Very low	30.7	Very low	138 Å²	138	146.9 Å²	146.9	74%	0.738	75%	0.745	S	S	*	*			cis	-152.3	168.8	2.4	-96.2	-33.4	0	0	0	112.1
888	P	34.7	Very low	30.6	Very low	104 Å²	104	144.2 Å²	144.2	68%	0.675	74%	0.741	S	S	*	*			trans	-103.1	171.9	-179.4	39	-33.4	0	0	0	114.8
889	L	27.3	Very low	30.4	Very low	149 Å²	149	148.1 Å²	148.1	78%	0.78	74%	0.744	S	S	*	*				163.4	133.4	129.2	-86.9	160.6	0	0	0	116.8
890	K	26.6	Very low	30.5	Very low	149 Å²	149	145.5 Å²	145.5	65%	0.648	75%	0.751	S	S	*	*			trans	79.6	143	134.5	-88.3	176.6	167.2	-168.3	0	125.8
891	H	32.5	Very low	30.2	Very low	177 Å²	177	141.3 Å²	141.3	82%	0.819	74%	0.74	S	S	*	*			trans	71	152.6	147.6	-67.6	-30.6	0	0	0	117.5
892	I	30.9	Very low	30.2	Very low	142 Å²	142	146.5 Å²	146.5	73%	0.728	75%	0.748	S	S	*	*			cis	-165	156.1	-5.2	-111.5	165.4	0	0	0	106.3
893	D	31.7	Very low	30.2	Very low	117 Å²	117	148.2 Å²	148.2	63%	0.626	75%	0.749	S	S	*	*			cis	-158.6	-168.3	-20.3	-165.4	18.5	0	0	0	108.1
894	K	29.3	Very low	30.2	Very low	145 Å²	145	151.3 Å²	151.3	63%	0.63	75%	0.752	S	S	*	*			trans	-29	150.3	171.5	-60.5	163.1	-163.5	114.5	0	122.1
895	E	33.9	Very low	30.1	Very low	194 Å²	194	147 Å²	147	91%	0.907	75%	0.745	S	S	*	*				-160.2	123.6	108.9	-99.5	171.7	-168.9	0	0	106.3
896	D	26.9	Very low	30	Very low	131 Å²	131	145 Å²	145	70%	0.701	74%	0.742	S	S	*	*			cis	68.3	101.5	47.7	-89.7	-32.1	0	0	0	116.1
897	I	32.2	Very low	29.8	Very low	161 Å²	161	150.2 Å²	150.2	83%	0.826	75%	0.752	S	S	*	*			trans	-148.3	114.6	150.2	-101.5	155.3	0	0	0	110.8
898	V	31.7	Very low	29.6	Very low	122 Å²	122	150.3 Å²	150.3	74%	0.739	75%	0.753	S	S	*	*			trans	35.8	105.8	146.1	-170.7	0	0	0	0	118.7
899	L	26.6	Very low	29.3	Very low	157 Å²	157	153.2 Å²	153.2	82%	0.822	76%	0.757	S	S	*	*				62.4	104.5	67.4	-79.3	161.2	0	0	0	117.6
900	G	31.7	Very low	29.3	Very low	89 Å²	89	152.5 Å²	152.5	92%	0.918	75%	0.753	S	S	*	*			trans	-135.5	44.5	174.1	0	0	0	0	0	114.3
901	S	28.3	Very low	29.2	Very low	80 Å²	80	151.2 Å²	151.2	56%	0.559	75%	0.753	S	S	*	*			trans	-82.6	144.1	-172.8	64.3	0	0	0	0	115.2
902	R	30.1	Very low	28.9	Very low	213 Å²	213	151.9 Å²	151.9	80%	0.804	75%	0.754	S	S	*	*				170.3	133	119.5	-89.5	156.6	-169.5	-170.6	3.1	108.8
903	K	28.5	Very low	28.8	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	75%	0.753	S	S	*	*			cis	57.3	100	48.9	-79	-170.8	175.5	176.4	0	114.5
904	H	29.9	Very low	28.7	Very low	164 Å²	164	151.4 Å²	151.4	76%	0.759	76%	0.759	S	S	*	*			trans	173.4	151.1	152.9	-85.7	-37.1	0	0	0	107.8
905	L	27.5	Very low	28.5	Very low	124 Å²	124	151.2 Å²	151.2	65%	0.649	76%	0.764	S	S	*	*			cis	-154.5	158.3	-4.4	-102.5	158.1	0	0	0	110.7
906	K	29.1	Very low	28.3	Very low	176 Å²	176	150.3 Å²	150.3	77%	0.765	76%	0.759	S	S	*	*			trans	31.7	124.8	151.3	-65.9	166.9	-175.3	171.8	0	119.9
907	R	24.7	Very low	28.4	Very low	228 Å²	228	151.7 Å²	151.7	86%	0.86	76%	0.761	S	S	*	*				53	108.9	72.5	-81.6	-171.4	172.7	158	-2.6	115.4
908	N	28.6	Very low	28.3	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	76%	0.756	S	S	*	*			trans	157.8	122.4	132.6	-83	0	0	0	0	107.8
909	H	27.7	Very low	28.1	Very low	166 Å²	166	148.9 Å²	148.9	77%	0.769	76%	0.759	S	S	*	*				102.4	128.7	56.5	-105.3	-73.3	0	0	0	111.2
910	L	26.2	Very low	28.2	Very low	134 Å²	134	146.5 Å²	146.5	70%	0.702	76%	0.756	S	S	*	*			trans	79.1	130.4	163.9	-86.5	73.9	0	0	0	120.8
911	N	25.6	Very low	27.9	Very low	121 Å²	121	152.2 Å²	152.2	65%	0.647	75%	0.751	S	S	*	*			trans	86.9	120.7	134.6	-70.8	-4.3	0	0	0	122.7
912	K	26.8	Very low	27.9	Very low	191 Å²	191	156.3 Å²	156.3	83%	0.83	76%	0.761	S	S	*	*			trans	66	153.1	145.2	-63.4	177.9	-179.8	-174.4	0	115.9
913	S	27.3	Very low	27.7	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	75%	0.751	S	S	*	*			cis	-163	150.8	-19	41.7	0	0	0	0	105.2
914	I	30.8	Very low	27.6	Very low	150 Å²	150	148.6 Å²	148.6	77%	0.769	74%	0.743	S	S	*	*				-157.1	151.2	69.5	-82.2	159.3	0	0	0	108.8
915	I	25.6	Very low	27.4	Very low	141 Å²	141	148.5 Å²	148.5	72%	0.723	74%	0.743	S	S	*	*			trans	-108	139.1	169	-66.9	166	0	0	0	107.3
916	H	28.9	Very low	27.5	Very low	175 Å²	175	147.5 Å²	147.5	81%	0.81	75%	0.745	S	S	*	*			trans	-145.9	86.1	147.3	-103.4	-51.8	0	0	0	112.3
917	E	29	Very low	27.4	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	74%	0.741	S	S	*	*				-72.7	162.1	126.3	-65.2	178.4	132.1	0	0	107.6
918	P	29.3	Very low	27.5	Very low	110 Å²	110	141.7 Å²	141.7	71%	0.714	73%	0.73	S	S	*	*				-142.5	141.7	103.9	35.7	-22.4	0	0	0	114.2
919	S	27.4	Very low	27.4	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	73%	0.726	S	S	*	*			trans	-95	122.6	160.7	60.2	0	0	0	0	110.3
920	S	29.3	Very low	27.4	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	72%	0.722	S	S	*	*			trans	-152.8	130.8	165.9	55.5	0	0	0	0	113.4
921	Y	24.7	Very low	27.7	Very low	208 Å²	208	140.4 Å²	140.4	82%	0.816	72%	0.721	S	S	*	*			trans	-51.2	140.7	173.1	-74.5	-111.2	0	0	0	114.2
922	H	29.6	Very low	27.8	Very low	167 Å²	167	140.4 Å²	140.4	77%	0.773	72%	0.721	S	S	*	*				178	129.4	127.1	-102	-82.3	0	0	0	105.7
923	I	24.7	Very low	27.8	Very low	117 Å²	117	139 Å²	139	60%	0.6	72%	0.717	S	S	*	*				55.5	94.3	58.5	-55.4	173.2	0	0	0	107.9
924	D	26.6	Very low	27.8	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	73%	0.728	S	S	*	*				-152.4	170.4	50.7	-99.6	-49.8	0	0	0	115.9
925	H	27	Very low	27.5	Very low	162 Å²	162	145.1 Å²	145.1	75%	0.75	73%	0.731	S	S	*	*			trans	15.5	135.2	144.5	-64	79.9	0	0	0	119.6
926	C	27.9	Very low	27.5	Very low	103 Å²	103	145 Å²	145	70%	0.696	74%	0.737	S	S	*	*			cis	-160	168.2	27.6	-111.9	0	0	0	0	114.9
927	H	27.5	Very low	27.3	Very low	148 Å²	148	140.8 Å²	140.8	69%	0.685	73%	0.727	S	S	*	*			trans	-7.4	157.3	156	-61.3	-72.5	0	0	0	121.7
928	H	27.7	Very low	27.1	Very low	135 Å²	135	140.5 Å²	140.5	63%	0.625	73%	0.729	S	S	*	*			cis	-156.5	150.7	-2.9	-111.3	-58.5	0	0	0	108.1
929	E	25.8	Very low	26.8	Very low	142 Å²	142	140.4 Å²	140.4	66%	0.664	73%	0.729	S	S	*	*				39.3	140.8	100.6	-63.5	-174.3	141.3	0	0	116.9
930	M	27.4	Very low	26.6	Very low	138 Å²	138	140.2 Å²	140.2	68%	0.68	73%	0.728	S	S	*	*			cis	-163.9	153.8	0.2	-115.1	-175.5	-173.4	0	0	109.3
931	I	32	Very low	26.5	Very low	133 Å²	133	140 Å²	140	68%	0.682	73%	0.727	S	S	*	*				50.4	126.7	98.4	-57.3	-179	0	0	0	113.3
932	D	28.1	Very low	26.6	Very low	121 Å²	121	136.4 Å²	136.4	65%	0.647	72%	0.721	S	S	*	*			cis	-158.1	177.9	29.3	-135.2	-25.9	0	0	0	116.8
933	H	27.3	Very low	26.6	Very low	161 Å²	161	134.4 Å²	134.4	75%	0.745	72%	0.717	S	S	*	*			trans	27.9	130.1	150.8	-63.9	-37.5	0	0	0	124.2
934	Q	27	Very low	26.8	Very low	199 Å²	199	134.1 Å²	134.1	93%	0.93	72%	0.72	S	S	*	*				-159.9	166.6	109	-117	177.7	-22.4	0	0	113.8
935	E	25.2	Very low	26.9	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	72%	0.719	S	S	*	*			trans	-100.4	-163.7	178.2	-60.3	-177.6	111.4	0	0	111.8
936	V	24.5	Very low	27	Very low	139 Å²	139	131.6 Å²	131.6	84%	0.842	71%	0.712	S	S	*	*			trans	79.5	138.3	168.2	-176.7	0	0	0	0	114.8
937	S	24.5	Very low	27.2	Very low	85 Å²	85	132.8 Å²	132.8	59%	0.594	71%	0.708	S	S	*	*			cis	-168.8	-159.8	-28.3	62.6	0	0	0	0	108.2
938	I	24.8	Very low	27.3	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	71%	0.708	S	S	*	*			trans	70.3	143	161.1	-68.6	155.4	0	0	0	115.6
939	C	23	Very low	27.5	Very low	107 Å²	107	133.8 Å²	133.8	72%	0.723	71%	0.713	S	S	*	*			cis	-161.1	-167.5	-23.1	-107.3	0	0	0	0	109.9
940	S	24.2	Very low	27.8	Very low	112 Å²	112	132 Å²	132	78%	0.783	71%	0.712	S	S	*	*			trans	-24.9	156.6	155.9	57.6	0	0	0	0	117
941	S	27.6	Very low	28	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	71%	0.713	S	S	*	*			cis	-157.3	176.8	40.4	61.3	0	0	0	0	116.6
942	N	26.7	Very low	28	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	71%	0.708	S	S	*	*			trans	-31.2	157.4	150	-37.9	-13.9	0	0	0	113.1
943	D	30.2	Very low	28.1	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	71%	0.714	S	S	*	*				-149.5	149.6	54.5	-84.6	-48.1	0	0	0	113.3
944	T	28	Very low	28.3	Very low	110 Å²	110	130.4 Å²	130.4	68%	0.675	72%	0.716	S	S	*	*				45.9	143.4	101.5	96.2	0	0	0	0	115.8
945	N	28.7	Very low	28.4	Very low	122 Å²	122	128.8 Å²	128.8	65%	0.652	71%	0.714	S	S	*	*			cis	-163.8	159.3	21.9	-129.3	-13.2	0	0	0	110.7
946	N	29.3	Very low	28.6	Very low	114 Å²	114	125.2 Å²	125.2	61%	0.61	71%	0.709	S	S	*	*			trans	63.5	162.7	146.9	-66.3	-3.1	0	0	0	120
947	H	31.9	Very low	28.9	Very low	129 Å²	129	124.4 Å²	124.4	60%	0.597	70%	0.704	S	S	*	*			cis	-151.6	148.1	-11.4	-110.9	-65.6	0	0	0	106.9
948	E	29.9	Very low	29.4	Very low	148 Å²	148	126.1 Å²	126.1	69%	0.692	70%	0.702	S	S	*	*			trans	59	159.9	144	-72.4	145.8	-162.1	0	0	120.4
949	E	32	Very low	29.7	Very low	156 Å²	156	126.9 Å²	126.9	73%	0.729	70%	0.696	S	S	*	*			cis	-151.5	147.4	3.4	-138.7	171.4	-179.7	0	0	113.3
950	T	31	Very low	30.2	Very low	104 Å²	104	129.5 Å²	129.5	64%	0.638	70%	0.703	S	S	*	*			trans	49.6	136.4	147.7	47.9	0	0	0	0	125.1
951	D	31.3	Very low	30.5	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	69%	0.686	S	S	*	*			trans	76.2	142.1	133.5	-70.5	17.8	0	0	0	121.8
952	N	33.3	Very low	30.6	Very low	111 Å²	111	134.1 Å²	134.1	59%	0.594	69%	0.693	S	S	*	*			cis	-147.4	155.7	3.9	-126.9	-40.1	0	0	0	115.4
953	Q	30.5	Very low	30.6	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	70%	0.698	S	S	*	*			trans	-12.3	144	165.7	-60.8	156.1	22.5	0	0	118.3
954	S	31.5	Very low	30.6	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	71%	0.709	S	S	*	*				-172.7	114.8	61.9	31.9	0	0	0	0	116
955	N	28	Very low	30.6	Very low	166 Å²	166	135.3 Å²	135.3	89%	0.888	71%	0.71	S	S	*	*			trans	25.6	141.3	148.5	-61	-1.7	0	0	0	125.1
956	S	30.7	Very low	30.6	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	72%	0.723	S	S	*	*			trans	-120.3	163.8	165.4	58.4	0	0	0	0	112.1
957	V	30.3	Very low	30.5	Very low	122 Å²	122	139.5 Å²	139.5	74%	0.739	73%	0.728	S	S	*	*			trans	-149.7	121.9	160.3	-162.1	0	0	0	0	105.3	Y959	V957-Y959 HydrophobicContact CG1-CE2 4.31Å; V957-Y959 HydrophobicContact CG1-CD2 4.34Å
958	H	35	Very low	30.2	Very low	121 Å²	121	138.5 Å²	138.5	56%	0.56	74%	0.736	S	S	*	*				62.8	152	63.2	-76	-41.7	0	0	0	113.8	H961	H958-H961 AromaticContact CE1-CD2 3.7Å; H958-H961 AromaticContact CE1-CE1 3.83Å; H958-H961 AromaticContact CE1-NE2 3.04Å; H958-H961 PolarHBondContact CE1-NE2 3.5Å; H958-H961 AromaticContact ND1-NE2 3.82Å; H958-H961 AromaticContact NE2-CD2 3.94Å; H958-H961 AromaticContact NE2-NE2 3.11Å; H958-H961 PolarHBondContact NE2-NE2 3.17Å; H958-H961 VanDerWaalsContact NE2-NE2 3.11Å; H958-H961 AromaticContact CD2-NE2 3.99Å
959	Y	30.4	Very low	30.1	Very low	170 Å²	170	139.1 Å²	139.1	67%	0.667	74%	0.742	S	S	*	*			cis	-125.9	176	15.7	-90.5	-86.4	0	0	0	110.8	V957 H961	V957-Y959 HydrophobicContact CG1-CE2 4.31Å; V957-Y959 HydrophobicContact CG1-CD2 4.34Å; Y959-H961 AromaticContact CE1-CD2 3.79Å
960	D	33.3	Very low	29.7	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	75%	0.746	S	S	*	*			cis	-123.9	160.7	23	-94.9	-52.2	0	0	0	115.7
961	H	30.4	Very low	29.6	Very low	92 Å²	92	142.1 Å²	142.1	43%	0.426	76%	0.758	S	S	.	*			trans	-108.8	151.8	-173.5	-98.4	-78.7	0	0	0	112.7	H958 Y959	H958-H961 AromaticContact CE1-CD2 3.7Å; H958-H961 AromaticContact CE1-CE1 3.83Å; H958-H961 AromaticContact CE1-NE2 3.04Å; H958-H961 PolarHBondContact CE1-NE2 3.5Å; H958-H961 AromaticContact ND1-NE2 3.82Å; H958-H961 AromaticContact NE2-CD2 3.94Å; H958-H961 AromaticContact NE2-NE2 3.11Å; H958-H961 PolarHBondContact NE2-NE2 3.17Å; H958-H961 VanDerWaalsContact NE2-NE2 3.11Å; H958-H961 AromaticContact CD2-NE2 3.99Å; Y959-H961 AromaticContact CE1-CD2 3.79Å
962	Y	30.9	Very low	29.4	Very low	219 Å²	219	144.6 Å²	144.6	86%	0.859	76%	0.762	S	S	*	*				176.2	108.6	99	-94.7	-68	0	0	0	110.6
963	S	25.9	Very low	29	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	77%	0.771	S	S	*	*			trans	-140.4	108.6	171.6	-67.8	0	0	0	0	109.2
964	L	31	Very low	28.9	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	78%	0.775	S	S	*	*			trans	-77.4	125.3	174.5	-81.4	163.4	0	0	0	110.1
965	P	26.6	Very low	28.7	Very low	106 Å²	106	149 Å²	149	69%	0.688	77%	0.773	S	S	*	*			trans	-82.4	134.2	177.2	32.4	-32.7	0	0	0	111
966	M	30	Very low	28.6	Very low	188 Å²	188	151.6 Å²	151.6	93%	0.926	77%	0.772	S	S	*	*			trans	-116.6	97.1	165.9	-93.7	-68.4	173.8	0	0	110.1
967	N	27.2	Very low	28.5	Very low	136 Å²	136	153.7 Å²	153.7	73%	0.727	78%	0.781	S	S	*	*			trans	-78.8	123.6	173.6	-90.2	-17.4	0	0	0	110.9
968	S	24.6	Very low	28.3	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	78%	0.778	S	S	*	*			trans	31.3	95	143	62.7	0	0	0	0	119.6
969	I	28	Very low	28.1	Very low	161 Å²	161	153 Å²	153	83%	0.826	79%	0.785	S	S	*	*			trans	-124.3	144.8	144.4	-75	92.4	0	0	0	108.9
970	K	23.9	Very low	28.1	Very low	186 Å²	186	151.1 Å²	151.1	81%	0.809	79%	0.786	S	S	*	*			trans	-96.7	135.9	-177.3	-57.3	163.2	-175.3	166.4	0	110.2	K972	K970-K972 PolarHBondContact O-N 2.74Å
971	P	28.4	Very low	27.8	Very low	136 Å²	136	152 Å²	152	88%	0.883	79%	0.785	S	S	*	*			trans	-75.6	112.9	157.3	30.6	-29.6	0	0	0	108.8
972	K	27.1	Very low	27.9	Very low	183 Å²	183	153.4 Å²	153.4	80%	0.796	80%	0.801	S	S	*	*			trans	-102.4	158.3	165.8	-121.9	-169.4	176.6	-166.6	0	109.4	K970	K970-K972 PolarHBondContact O-N 2.74Å
973	Q	25.9	Very low	27.7	Very low	166 Å²	166	151.2 Å²	151.2	78%	0.776	80%	0.798	S	S	*	*			trans	-58.7	141.1	-176.6	-57.7	133.6	-81.9	0	0	112.1
974	I	28.7	Very low	27.9	Very low	167 Å²	167	150.8 Å²	150.8	86%	0.856	80%	0.795	S	S	*	*			trans	-129.4	137.9	153.1	-62.6	-177.2	0	0	0	106.8
975	I	27.3	Very low	27.9	Very low	147 Å²	147	151.2 Å²	151.2	75%	0.754	79%	0.792	S	S	*	*			trans	-108.9	148.7	179.3	-67.7	171.6	0	0	0	107.8
976	Y	24.3	Very low	28.2	Very low	222 Å²	222	150 Å²	150	87%	0.871	80%	0.798	S	S	*	*			trans	-68.5	131.3	176.9	-67.9	-94.9	0	0	0	112.7
977	T	29.5	Very low	28.2	Very low	147 Å²	147	149.6 Å²	149.6	90%	0.902	79%	0.794	S	S	*	*			trans	-143.3	155.5	139.3	38.5	0	0	0	0	108.9
978	S	26	Very low	28.4	Very low	97 Å²	97	148.5 Å²	148.5	68%	0.678	80%	0.797	S	S	*	*			trans	-103.8	155.1	-176.5	54.6	0	0	0	0	112.1
979	N	31.5	Very low	28.6	Very low	132 Å²	132	147.6 Å²	147.6	71%	0.706	79%	0.791	S	S	*	*				169.1	121.4	116.5	-82.7	9	0	0	0	110.9
980	D	29.3	Very low	28.7	Very low	131 Å²	131	147.5 Å²	147.5	70%	0.701	79%	0.791	S	S	*	*			trans	43.8	132.8	131.3	-45.1	-29.5	0	0	0	122.9
981	E	28.1	Very low	28.9	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	79%	0.786	S	S	*	*			trans	69.2	143.8	151.1	-67.8	171	-160.2	0	0	118.1
982	T	30.9	Very low	28.9	Very low	123 Å²	123	145.3 Å²	145.3	76%	0.755	78%	0.783	S	S	*	*			cis	-146	-176.1	8.2	-5.1	0	0	0	0	113
983	E	27.5	Very low	29.1	Very low	173 Å²	173	146.6 Å²	146.6	81%	0.808	79%	0.789	S	S	*	*			trans	-58.9	169.6	177.8	-53.5	160.4	139.6	0	0	113.2
984	S	31.1	Very low	29.3	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	79%	0.786	S	S	*	*			cis	-167.7	160.1	37.5	52.3	0	0	0	0	115.5
985	H	30.7	Very low	29.4	Very low	183 Å²	183	143.9 Å²	143.9	85%	0.847	79%	0.789	S	S	*	*			trans	12.2	139.8	155.8	-63	-79.6	0	0	0	123.9
986	G	31.7	Very low	29.7	Very low	80 Å²	80	145.6 Å²	145.6	83%	0.825	79%	0.793	S	S	*	*			trans	-176.6	102.4	158.1	0	0	0	0	0	112.1
987	E	29.9	Very low	30.2	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	79%	0.787	S	S	*	*			trans	-95.5	170.1	-173	-67.1	-167.9	121	0	0	115
988	S	31.9	Very low	30.4	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	78%	0.78	S	S	*	*			trans	82	156.5	152.6	91.7	0	0	0	0	117.2
989	S	28	Very low	30.8	Very low	89 Å²	89	142 Å²	142	62%	0.622	78%	0.784	S	S	*	*			cis	-173.6	173	-25.4	52.1	0	0	0	0	110.3
990	L	31	Very low	30.8	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	78%	0.781	S	S	*	*			trans	65.3	156.1	175.4	-75.7	95	0	0	0	116.7
991	S	29	Very low	31	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	78%	0.782	S	S	*	*			cis	-165.6	163.5	-23.5	53.3	0	0	0	0	111
992	E	28.7	Very low	31.3	Very low	176 Å²	176	135.2 Å²	135.2	82%	0.822	77%	0.771	S	S	*	*			trans	-65.2	153.8	177.3	-47.6	163.9	119.4	0	0	114.5
993	K	29.9	Very low	31.6	Very low	210 Å²	210	137.8 Å²	137.8	91%	0.913	77%	0.774	S	S	*	*				-173.5	162.3	122.4	-103.5	157.6	-172.5	169.2	0	115.3
994	S	30.2	Very low	31.7	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	77%	0.766	S	S	*	*			trans	-110.6	172.3	-174.9	53.8	0	0	0	0	113.1
995	L	31.8	Very low	31.7	Very low	173 Å²	173	134.1 Å²	134.1	91%	0.906	77%	0.767	S	S	*	*			trans	-164.1	172.7	143.9	-130.4	73.8	0	0	0	113.3
996	H	32.9	Very low	31.7	Very low	183 Å²	183	131.4 Å²	131.4	85%	0.847	76%	0.763	S	S	*	*			trans	-124.5	152.9	-173.2	-80.4	-76.7	0	0	0	114.4
997	S	34.7	Very low	31.8	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	76%	0.758	S	S	*	*			trans	-167	155.9	144.9	70.6	0	0	0	0	108.9
998	D	34.8	Very low	31.8	Very low	142 Å²	142	129 Å²	129	76%	0.759	75%	0.753	S	S	*	*			cis	85.8	135	10.5	-50.9	-55.8	0	0	0	116
999	D	34.1	Very low	31.8	Very low	142 Å²	142	131 Å²	131	76%	0.759	75%	0.754	S	S	*	*			cis	-166.5	176.9	-15.9	-177.5	34.2	0	0	0	111.7
1000	C	30.3	Very low	32	Very low	94 Å²	94	131.6 Å²	131.6	64%	0.635	76%	0.758	S	S	*	*			trans	75.9	153	162.6	-77	0	0	0	0	119.8
1001	T	34.3	Very low	32.1	Very low	117 Å²	117	129.3 Å²	129.3	72%	0.718	76%	0.755	S	S	*	*			cis	-166	145.1	-18.3	22.9	0	0	0	0	114.1
1002	S	33.2	Very low	32.3	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	76%	0.761	S	S	*	*			trans	63	149.3	136.8	79.5	0	0	0	0	126.6
1003	H	37.9	Very low	32.2	Very low	176 Å²	176	127.5 Å²	127.5	82%	0.815	76%	0.757	S	S	*	*			trans	66.8	149.6	156.8	-63.3	-55.8	0	0	0	120.8
1004	S	31	Very low	32.2	Very low	90 Å²	90	125 Å²	125	63%	0.629	75%	0.754	S	S	*	*			cis	-172.4	160	-18	56.4	0	0	0	0	112.8
1005	C	29.2	Very low	32.1	Very low	111 Å²	111	125.5 Å²	125.5	75%	0.75	76%	0.757	S	S	*	*			trans	69.8	150.7	150.7	-70.7	0	0	0	0	120.4
1006	T	31.3	Very low	32	Very low	125 Å²	125	123 Å²	123	77%	0.767	76%	0.755	S	S	*	*			cis	-168.1	179.8	-22.7	19.2	0	0	0	0	110.1
1007	S	33.1	Very low	31.7	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	75%	0.753	S	S	*	*			trans	81.5	111.5	164.7	73.5	0	0	0	0	115.8
1008	S	31	Very low	31.3	Very low	106 Å²	106	120 Å²	120	74%	0.741	75%	0.754	S	S	*	*				82.5	146	56.9	75.5	0	0	0	0	112.6
1009	I	31.1	Very low	30.8	Very low	155 Å²	155	118 Å²	118	80%	0.795	75%	0.751	S	S	*	*			cis	-138.9	158.7	24.5	-65.3	169.4	0	0	0	106.7
1010	S	33.7	Very low	30.5	Very low	102 Å²	102	116.4 Å²	116.4	71%	0.713	75%	0.751	S	S	*	*			cis	-131.2	178.4	20.8	7.1	0	0	0	0	111.3
1011	S	32	Very low	30.2	Very low	111 Å²	111	118.8 Å²	118.8	78%	0.776	76%	0.756	S	S	*	*			cis	85.9	128.1	28.3	106	0	0	0	0	115.9
1012	S	32.8	Very low	29.8	Very low	118 Å²	118	118.6 Å²	118.6	83%	0.825	75%	0.751	S	S	*	*			cis	-123.9	156.3	26.9	51.8	0	0	0	0	115.9
1013	T	27.6	Very low	29.7	Very low	121 Å²	121	123.2 Å²	123.2	74%	0.742	76%	0.762	S	S	*	*			trans	-107	163.1	175.6	52.2	0	0	0	0	111
1014	N	30.5	Very low	29.2	Very low	157 Å²	157	121.5 Å²	121.5	84%	0.84	75%	0.754	S	S	*	*				-170.8	141.4	111.1	-92.3	-5.3	0	0	0	112.4
1015	S	27.3	Very low	29.1	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	77%	0.769	S	S	*	*			trans	-99.4	145.3	169.2	50.3	0	0	0	0	110.2
1016	S	29.6	Very low	28.9	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	76%	0.762	S	S	*	*			trans	-177.7	150.3	139.7	32.9	0	0	0	0	111.2
1017	S	25.7	Very low	28.6	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	76%	0.764	S	S	*	*			trans	-66	127.9	176.3	50	0	0	0	0	113
1018	S	26.6	Very low	28.2	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	76%	0.759	S	S	*	*			trans	-168.7	141.9	131.1	43.5	0	0	0	0	113.2
1019	S	25.1	Very low	27.9	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	76%	0.76	S	S	*	*			trans	14.1	146.9	152.2	58.4	0	0	0	0	122.8
1020	S	26.5	Very low	27.6	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	76%	0.755	S	S	*	*			trans	90.5	140.2	142.8	84.6	0	0	0	0	118.3
1021	I	26	Very low	27.3	Very low	144 Å²	144	135.6 Å²	135.6	74%	0.738	76%	0.757	S	S	*	*			cis	-159.6	150.7	-31.1	-133.6	160.7	0	0	0	111.4
1022	N	25.3	Very low	26.9	Very low	113 Å²	113	137.3 Å²	137.3	60%	0.604	76%	0.758	S	S	*	*			trans	42	116.8	159.1	-55.5	-19.6	0	0	0	121.3
1023	Q	31.3	Very low	26.7	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	75%	0.754	S	S	*	*				-160.7	120.5	106.8	-98.8	145.2	76.9	0	0	108.6
1024	H	26.8	Very low	26.7	Very low	140 Å²	140	140.1 Å²	140.1	65%	0.648	76%	0.759	S	S	*	*				45	115.8	97.1	-74.5	-102.5	0	0	0	112.2
1025	F	29.4	Very low	26.7	Very low	212 Å²	212	136 Å²	136	93%	0.93	75%	0.754	S	S	*	*				-117.6	170.7	59.7	-91	-94.9	0	0	0	117.2
1026	K	24.4	Very low	26.8	Very low	141 Å²	141	138 Å²	138	61%	0.613	75%	0.748	S	S	*	*			trans	-138.3	110.4	-163.1	170.5	-168.9	177.1	-175.2	0	109.5	I1028	K1026-I1028 VanDerWaalsContact CE-CD1 3.4Å; K1026-I1028 HydrophobicContact CG-CG1 4.3Å
1027	Y	25.4	Very low	26.7	Very low	204 Å²	204	138.9 Å²	138.9	80%	0.8	74%	0.744	S	S	*	*			trans	-114.4	104.9	160.2	-91.7	-74.1	0	0	0	109.6	Y1029	Y1027-Y1029 AromaticContact CD1-CE2 3.99Å; Y1027-Y1029 HydrophobicContact CD1-CE2 3.99Å
1028	I	24	Very low	26.9	Very low	122 Å²	122	135.1 Å²	135.1	63%	0.626	72%	0.717	S	S	*	*			trans	-83.3	127.5	162.3	-63.2	173.1	0	0	0	106.1	K1026	K1026-I1028 VanDerWaalsContact CE-CD1 3.4Å; K1026-I1028 HydrophobicContact CG-CG1 4.3Å
1029	Y	25.7	Very low	27	Very low	196 Å²	196	136.1 Å²	136.1	77%	0.769	71%	0.713	S	S	*	*			trans	-117.1	138.1	152	-87.1	-84	0	0	0	108.2	Y1027	Y1027-Y1029 AromaticContact CD1-CE2 3.99Å; Y1027-Y1029 HydrophobicContact CD1-CE2 3.99Å
1030	P	24.7	Very low	27.1	Very low	107 Å²	107	134.6 Å²	134.6	70%	0.695	70%	0.701	S	S	*	*			trans	-78	152.8	-173	32.5	-35.5	0	0	0	111.8
1031	S	26	Very low	27.1	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	71%	0.706	S	S	*	*	S	Bend	trans	-76.7	153	156.5	42.6	0	0	0	0	110.7
1032	N	25	Very low	27.3	Very low	148 Å²	148	131.4 Å²	131.4	79%	0.791	69%	0.692	S	S	*	*			trans	80.3	147.9	178.9	-58.1	-19.1	0	0	0	118.1
1033	Q	28.7	Very low	27.6	Very low	162 Å²	162	129.8 Å²	129.8	76%	0.757	68%	0.683	S	S	*	*			trans	74.8	83.6	167.1	-69.1	-179.9	-21	0	0	119.8
1034	T	27.8	Very low	27.4	Very low	135 Å²	135	126.2 Å²	126.2	83%	0.828	68%	0.678	S	S	*	*				54.9	107.4	123.2	53	0	0	0	0	121
1035	G	29.5	Very low	27.5	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	68%	0.681	S	S	*	*			trans	162.4	116.8	159.6	0	0	0	0	0	109
1036	F	28.9	Very low	27.7	Very low	154 Å²	154	122 Å²	122	68%	0.675	67%	0.666	S	S	*	*			cis	-96.1	137.1	21.7	-75.4	-116.7	0	0	0	115.1	M1178	F1036-M1178 HydrophobicContact CB-CE 4.4Å; F1036-M1178 HydrophobicContact CD1-CE 3.52Å; F1036-M1178 HydrophobicContact CE1-CE 4.03Å; F1036-M1178 HydrophobicContact CG-CE 4.1Å
1037	N	27.6	Very low	28	Very low	140 Å²	140	121.7 Å²	121.7	75%	0.749	67%	0.67	S	S	*	*			trans	-119.8	151.2	143.7	-99.3	-29.2	0	0	0	106.6	M1178	N1037-M1178 WeakPolarHBondContact O-CE 3.48Å
1038	S	31.3	Very low	28.1	Very low	36 Å²	36	118.3 Å²	118.3	25%	0.252	67%	0.665	S	S	.	*			trans	69.1	134	-162.5	84.9	0	0	0	0	113.8	C1040 M1178	S1038-C1040 WeakPolarHBondContact CB-SG 3.43Å; S1038-M1178 PolarHBondContact OG-SD 3.08Å
1039	I	28.5	Very low	28.5	Very low	131 Å²	131	118.8 Å²	118.8	67%	0.672	67%	0.668	S	S	*	*	S	Bend	cis	-57.4	116.1	-2.5	-55.1	163.8	0	0	0	109.8	A1179	I1039-A1179 HydrophobicContact CG1-CB 3.8Å
1040	C	25.4	Very low	28.6	Very low	69 Å²	69	112.3 Å²	112.3	47%	0.466	66%	0.655	S	S	.	*			cis	73.8	85.3	41	-78.9	0	0	0	0	114.8	S1038 S1042	S1038-C1040 WeakPolarHBondContact CB-SG 3.43Å; C1040-S1042 PolarHBondContact O-N 3.05Å; C1040-S1042 VanDerWaalsContact O-N 3.17Å
1041	S	26.8	Very low	28.6	Very low	122 Å²	122	112.9 Å²	112.9	85%	0.853	67%	0.669	S	S	*	*			trans	50.9	54.4	134	58.3	0	0	0	0	116.1
1042	S	31.4	Very low	28.6	Very low	63 Å²	63	110.1 Å²	110.1	44%	0.441	65%	0.653	S	S	.	*	S	Bend	trans	-166.5	95.3	176.1	155.8	0	0	0	0	107.4	C1040 R1182	C1040-S1042 PolarHBondContact O-N 3.05Å; C1040-S1042 VanDerWaalsContact O-N 3.17Å; S1042-R1182 VanDerWaalsContact OG-CZ 3.29Å; S1042-R1182 PolarHBondContact OG-NE 3.34Å; S1042-R1182 PolarHBondContact OG-NH2 3.23Å
1043	L	30.6	Very low	28.7	Very low	79 Å²	79	106.7 Å²	106.7	41%	0.414	65%	0.645	S	S	.	*	S	Bend	cis	-148.1	62.2	20.9	-165.2	54.6	0	0	0	112.7	N1045 Q1046	L1043-N1045 PolarHBondContact O-N 3Å; L1043-Q1046 HydrophobicContact CD2-CB 3.79Å; L1043-Q1046 HydrophobicContact CG-CG 4.04Å; L1043-Q1046 HydrophobicContact CG-CB 3.79Å; L1043-Q1046 HydrophobicContact CD2-CG 4.24Å; L1043-Q1046 HydrophobicContact CD1-CG 3.77Å; L1043-Q1046 HydrophobicContact CD1-CB 4.13Å
1044	S	28	Very low	28.8	Very low	111 Å²	111	103.1 Å²	103.1	78%	0.776	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	133	157.8	-174.7	0	0	0	0	108.3
1045	N	28.3	Very low	28.7	Very low	133 Å²	133	102.3 Å²	102.3	71%	0.711	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.8	42	-176	-61	-11.4	0	0	0	118	L1043	L1043-N1045 PolarHBondContact O-N 3Å
1046	Q	33.8	Very low	28.7	Very low	130 Å²	130	102.7 Å²	102.7	61%	0.607	65%	0.647	S	S	*	*			trans	-140	124.4	135.8	-54.2	178.5	-14.8	0	0	106.5	L1043	L1043-Q1046 HydrophobicContact CD2-CB 3.79Å; L1043-Q1046 HydrophobicContact CG-CG 4.04Å; L1043-Q1046 HydrophobicContact CG-CB 3.79Å; L1043-Q1046 HydrophobicContact CD2-CG 4.24Å; L1043-Q1046 HydrophobicContact CD1-CG 3.77Å; L1043-Q1046 HydrophobicContact CD1-CB 4.13Å
1047	I	29.8	Very low	28.9	Very low	134 Å²	134	99.6 Å²	99.6	69%	0.687	65%	0.649	S	S	*	*			cis	-114.2	101.3	23.9	-61.5	177.1	0	0	0	111.1	L1049	I1047-L1049 WeakPolarHBondContact CG2-O 3.39Å
1048	N	28.7	Very low	29.2	Very low	133 Å²	133	98.3 Å²	98.3	71%	0.711	65%	0.651	S	S	*	*	S	Bend		-71	132.6	129.6	-86.1	-8.2	0	0	0	106.5
1049	L	31.6	Very low	29.3	Very low	132 Å²	132	102 Å²	102	69%	0.691	67%	0.672	S	S	*	*			trans	52.8	105	176.6	-85.2	70.2	0	0	0	115.4	I1047	I1047-L1049 WeakPolarHBondContact CG2-O 3.39Å
1050	A	27.1	Very low	29.5	Very low	60 Å²	60	102.1 Å²	102.1	50%	0.496	67%	0.674	S	S	.	*			trans	-54.7	157.3	135	0	0	0	0	0	107.5	A1052	A1050-A1052 PolarHBondContact O-N 2.81Å
1051	A	25.7	Very low	29.8	Very low	119 Å²	119	103.8 Å²	103.8	98%	0.983	68%	0.682	S	S	*	*	S	Bend	trans	-76.3	49.2	-170.2	0	0	0	0	0	114.5
1052	A	26	Very low	30	Very low	50 Å²	50	104.9 Å²	104.9	41%	0.413	68%	0.677	S	S	.	*			trans	-153.9	147.3	166	0	0	0	0	0	107	A1050	A1050-A1052 PolarHBondContact O-N 2.81Å
1053	A	26.6	Very low	30	Very low	75 Å²	75	107.2 Å²	107.2	62%	0.62	69%	0.693	S	S	*	*	S	Bend	cis	-127	-179.9	5.5	0	0	0	0	0	111.9
1054	A	31	Very low	30	Very low	87 Å²	87	110.2 Å²	110.2	72%	0.719	71%	0.71	S	S	*	*			trans	58.5	72.3	168.1	0	0	0	0	0	116.5	A1056	A1054-A1056 HydrophobicContact CB-CB 4.43Å; A1054-A1056 PolarHBondContact O-N 3.16Å
1055	A	27	Very low	30.3	Very low	119 Å²	119	109.6 Å²	109.6	98%	0.983	70%	0.703	S	S	*	*			trans	-63.9	81.5	143.7	0	0	0	0	0	108.8
1056	A	29.5	Very low	30.4	Very low	80 Å²	80	109.8 Å²	109.8	66%	0.661	70%	0.703	S	S	*	*			trans	-96.1	128.5	-178.3	0	0	0	0	0	111	A1054	A1054-A1056 HydrophobicContact CB-CB 4.43Å; A1054-A1056 PolarHBondContact O-N 3.16Å
1057	A	32.4	Very low	30.2	Very low	88 Å²	88	111 Å²	111	73%	0.727	71%	0.709	S	S	*	*			trans	58.1	105.2	165.9	0	0	0	0	0	118.3
1058	S	33.4	Very low	30.3	Very low	113 Å²	113	112.4 Å²	112.4	79%	0.79	71%	0.713	S	S	*	*				76.5	148.8	121.1	88.3	0	0	0	0	118.6
1059	V	34.4	Very low	30.3	Very low	113 Å²	113	115.4 Å²	115.4	69%	0.685	72%	0.723	S	S	*	*			cis	-160.2	139.6	-10.7	111.4	0	0	0	0	108.8
1060	N	31.8	Very low	30.1	Very low	134 Å²	134	114.5 Å²	114.5	72%	0.717	73%	0.727	S	S	*	*			trans	50.6	153.7	144.4	-59	-3.2	0	0	0	121
1061	T	31.1	Very low	30.5	Very low	105 Å²	105	116.2 Å²	116.2	64%	0.644	73%	0.733	S	S	*	*			cis	-171	165.3	-3.7	19.5	0	0	0	0	110.1
1062	I	31	Very low	30.8	Very low	144 Å²	144	116.2 Å²	116.2	74%	0.738	72%	0.723	S	S	*	*			trans	59.5	118	143.8	-66.2	160.1	0	0	0	116.1
1063	S	32.8	Very low	30.7	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	73%	0.731	S	S	*	*				-151.3	123.3	63.4	27.5	0	0	0	0	116
1064	D	29.7	Very low	30.8	Very low	142 Å²	142	121.1 Å²	121.1	76%	0.759	74%	0.738	S	S	*	*			trans	-35.1	174.8	144.3	-92.8	-60.3	0	0	0	117.6
1065	P	34.1	Very low	30.6	Very low	98 Å²	98	124.7 Å²	124.7	64%	0.636	74%	0.74	S	S	*	*			cis	-134.2	172.8	-10.3	27.4	-6.3	0	0	0	114.5
1066	L	30.6	Very low	30.5	Very low	137 Å²	137	127 Å²	127	72%	0.717	73%	0.728	S	S	*	*				169.6	120.5	114.6	-90.8	166.7	0	0	0	112.6
1067	Q	30.8	Very low	30.3	Very low	156 Å²	156	129.1 Å²	129.1	73%	0.729	74%	0.736	S	S	*	*			trans	58.9	134.8	145.9	-67.6	173.6	-4.1	0	0	119.4
1068	Q	30.2	Very low	30.1	Very low	163 Å²	163	128.3 Å²	128.3	76%	0.762	72%	0.723	S	S	*	*			cis	-165.5	170.6	-9.4	-131.2	165.8	-9.4	0	0	109.1
1069	Q	30.4	Very low	29.7	Very low	197 Å²	197	127.3 Å²	127.3	92%	0.921	72%	0.717	S	S	*	*			trans	76.1	112.2	173.6	-59.7	-177.3	-12	0	0	117.9
1070	S	27.5	Very low	29.4	Very low	113 Å²	113	127 Å²	127	79%	0.79	72%	0.719	S	S	*	*			trans	-126.5	-166.2	162.5	53.3	0	0	0	0	107.3
1071	P	35.1	Very low	29.3	Very low	96 Å²	96	129.2 Å²	129.2	62%	0.623	73%	0.725	S	S	*	*				-121.3	177.6	-70.9	37	-23.1	0	0	0	112.4
1072	P	32	Very low	29.2	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	73%	0.727	S	S	*	*			trans	-127.4	148.5	131.5	35.8	-29.3	0	0	0	111.7
1073	S	24.1	Very low	29	Very low	82 Å²	82	131.1 Å²	131.1	57%	0.573	73%	0.732	S	S	*	*			cis	54.5	132.6	-5.8	68.7	0	0	0	0	119.1
1074	L	27	Very low	28.7	Very low	146 Å²	146	130 Å²	130	76%	0.764	72%	0.724	S	S	*	*			trans	70.9	150.8	-172.9	-52.2	150.3	0	0	0	111.2
1075	E	26.9	Very low	28.7	Very low	162 Å²	162	129.7 Å²	129.7	76%	0.757	72%	0.722	S	S	*	*			cis	-152.7	173.8	2.8	-139.2	155.6	178.7	0	0	114.1
1076	F	25	Very low	28.9	Very low	168 Å²	168	135.8 Å²	135.8	74%	0.737	73%	0.733	S	S	*	*			trans	-49.9	146	161.1	-73.1	-118	0	0	0	112.6
1077	C	26.3	Very low	29.3	Very low	123 Å²	123	132.5 Å²	132.5	83%	0.831	72%	0.719	S	S	*	*				-170	155.7	97	-106.9	0	0	0	0	113.1
1078	P	27.3	Very low	29.3	Very low	71 Å²	71	131.4 Å²	131.4	46%	0.461	72%	0.718	S	S	.	*			trans	-114.3	165.6	-166.6	40.9	-31.6	0	0	0	115.7
1079	S	26.2	Very low	29.4	Very low	93 Å²	93	128.4 Å²	128.4	65%	0.65	72%	0.715	S	S	*	*			trans	67.3	153.9	143.4	62.3	0	0	0	0	121.5
1080	S	26.8	Very low	29.4	Very low	105 Å²	105	123.7 Å²	123.7	73%	0.734	70%	0.696	S	S	*	*			trans	62	138.8	171.2	30.8	0	0	0	0	115.4
1081	E	30.4	Very low	29.6	Very low	181 Å²	181	127.6 Å²	127.6	85%	0.846	70%	0.695	S	S	*	*			cis	-134.2	168.5	28.5	-75.2	-174.4	139.2	0	0	111
1082	L	28.1	Very low	29.5	Very low	128 Å²	128	128.9 Å²	128.9	67%	0.67	70%	0.697	S	S	*	*			cis	162.8	143.5	-25.4	-122.3	163.4	0	0	0	103.6
1083	L	27.1	Very low	29.2	Very low	162 Å²	162	128 Å²	128	85%	0.848	69%	0.69	S	S	*	*			trans	66	149.8	172.3	-53.7	156.5	0	0	0	115.4
1084	S	27.4	Very low	29.5	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	70%	0.699	S	S	*	*			cis	-165.3	159.1	-21	59.7	0	0	0	0	106.4
1085	N	30.2	Very low	29.7	Very low	134 Å²	134	131.2 Å²	131.2	72%	0.717	69%	0.693	S	S	*	*			cis	-145.2	141.8	18.7	-75.3	-80.8	0	0	0	111.6
1086	R	38.2	Very low	29.8	Very low	227 Å²	227	129.8 Å²	129.8	86%	0.857	69%	0.691	S	S	*	*			trans	-93.1	173.7	139.7	-122.9	-175	-175.3	-176.5	2.7	106.3
1087	P	38.5	Very low	29.8	Very low	68 Å²	68	129 Å²	129	44%	0.442	69%	0.693	S	S	.	*				-161.1	-173.4	50.5	44.7	-21.4	0	0	0	118.4	F722	F722-P1087 HydrophobicContact CE1-CG 3.92Å; F722-P1087 HydrophobicContact CZ-CG 3.83Å
1088	N	31.4	Very low	29.9	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	70%	0.696	S	S	*	*			trans	66.5	158	141.3	-72.2	3.1	0	0	0	120.1
1089	S	31.2	Very low	29.7	Very low	100 Å²	100	135 Å²	135	70%	0.699	71%	0.712	S	S	*	*			cis	-167.6	167.4	0.7	27.6	0	0	0	0	109.1
1090	N	30.3	Very low	30.1	Very low	98 Å²	98	136.6 Å²	136.6	52%	0.524	72%	0.72	S	S	.	*			cis	-171.1	179.4	-14	-96.1	2.3	0	0	0	107.4
1091	Y	32.4	Very low	30.2	Very low	196 Å²	196	138.6 Å²	138.6	77%	0.769	73%	0.727	S	S	*	*			trans	72.6	142.8	159.2	-50.2	-65.1	0	0	0	117
1092	D	31.8	Very low	30	Very low	122 Å²	122	137.9 Å²	137.9	65%	0.652	72%	0.723	S	S	*	*			cis	-145.1	144.5	-18.9	-100	-40.6	0	0	0	107.2
1093	T	26.6	Very low	29.9	Very low	102 Å²	102	136 Å²	136	63%	0.626	72%	0.721	S	S	*	*				71.4	130.1	63	-31.5	0	0	0	0	114.6
1094	F	29.7	Very low	29.8	Very low	176 Å²	176	134 Å²	134	77%	0.772	71%	0.71	S	S	*	*			trans	88.9	127.8	166.3	-71.7	-72.3	0	0	0	122.9
1095	N	31.5	Very low	29.9	Very low	119 Å²	119	133.5 Å²	133.5	64%	0.636	70%	0.703	S	S	*	*			trans	82.4	102.4	137.6	-68.1	-20.8	0	0	0	123.5
1096	N	28.6	Very low	29.9	Very low	132 Å²	132	134 Å²	134	71%	0.706	70%	0.696	S	S	*	*				70.6	125.9	112.3	-59.8	-13.8	0	0	0	123.3
1097	L	26.2	Very low	29.6	Very low	150 Å²	150	126.8 Å²	126.8	79%	0.785	67%	0.674	S	S	*	*			trans	31.3	113.6	140.4	-63.9	93.4	0	0	0	119.5
1098	K	28.6	Very low	29.4	Very low	204 Å²	204	132.5 Å²	132.5	89%	0.887	69%	0.694	S	S	*	*				-175	167.4	104.6	-103.8	171.3	-178.4	179	0	115.9
1099	C	23.5	Very low	29.3	Very low	118 Å²	118	135.9 Å²	135.9	80%	0.797	70%	0.697	S	S	*	*			trans	-59.4	166	-177.7	-55	0	0	0	0	115.6
1100	P	34	Very low	29.3	Very low	126 Å²	126	141.2 Å²	141.2	82%	0.818	71%	0.708	S	S	*	*			trans	-80.8	165.8	-175.4	34.6	-38.7	0	0	0	114.4
1101	V	28.2	Very low	29.3	Very low	146 Å²	146	142.6 Å²	142.6	89%	0.885	71%	0.714	S	S	*	*			trans	-165.1	167.1	151.6	127.1	0	0	0	0	112.1
1102	H	26.9	Very low	29.4	Very low	167 Å²	167	138.4 Å²	138.4	77%	0.773	71%	0.711	S	S	*	*			trans	-54.8	141.6	-167.6	-85.1	-127.4	0	0	0	121
1103	S	25	Very low	29.4	Very low	88 Å²	88	142.6 Å²	142.6	62%	0.615	72%	0.718	S	S	*	*				72.1	132.9	121.4	87.9	0	0	0	0	125.4
1104	L	25.8	Very low	29.5	Very low	120 Å²	120	145.5 Å²	145.5	63%	0.628	72%	0.721	S	S	*	*			trans	74.1	141.7	141.2	-64.8	157.1	0	0	0	122.8	L1229	L1104-L1229 HydrophobicContact CG-CD1 3.79Å; L1104-L1229 HydrophobicContact CB-CD2 4.26Å; L1104-L1229 HydrophobicContact CD2-CD1 3.56Å; L1104-L1229 HydrophobicContact CD1-CD1 3.9Å; L1104-L1229 HydrophobicContact CD1-CD2 4.38Å; L1104-L1229 HydrophobicContact CB-CD1 3.57Å
1105	T	29.7	Very low	29.4	Very low	78 Å²	78	142.2 Å²	142.2	48%	0.479	71%	0.712	S	S	.	*			trans	156.2	162.5	141	50.7	0	0	0	0	119.1	H1227 K1228	T1105-H1227 WeakPolarHBondContact O-CB 3.25Å; T1105-H1227 PolarHBondContact O-CD2 3.2Å; T1105-H1227 VanDerWaalsContact O-CD2 3.29Å; T1105-K1228 VanDerWaalsContact CA-CG 3.46Å; T1105-K1228 HydrophobicContact CG2-CD 4.26Å; T1105-K1228 HydrophobicContact CG2-CG 3.7Å
1106	R	30.2	Very low	29.3	Very low	146 Å²	146	144 Å²	144	55%	0.551	71%	0.714	S	S	*	*			trans	-78.7	146.9	-163.4	-117.4	148.1	-136.2	177.3	8.9	109.2	H1227 K1228 L1229	R1106-H1227 WeakPolarHBondContact CG-O 3.48Å; R1106-H1227 PolarHBondContact NE-O 2.84Å; R1106-K1228 HydrophobicContact CB-CB 3.27Å; R1106-K1228 PolarHBondContact NH2-O 3.4Å; R1106-K1228 PolarHBondContact NE-O 3.34Å; R1106-K1228 HydrophobicContact CG-CG 4.19Å; R1106-K1228 HydrophobicContact CG-CD 4.42Å; R1106-K1228 HydrophobicContact CG-CB 3.26Å; R1106-K1228 HydrophobicContact CB-CG 3.7Å; R1106-K1228 HydrophobicContact CB-CD 3.91Å; R1106-L1229 PolarHBondContact NH2-O 3.46Å; R1106-L1229 VanDerWaalsContact NE-O 3.17Å; R1106-L1229 PolarHBondContact NE-O 2.92Å; R1106-L1229 PolarHBondContact NH1-O 3.17Å
1107	N	30.8	Very low	29.5	Very low	74 Å²	74	147.3 Å²	147.3	40%	0.396	72%	0.718	S	S	.	*			cis	76.5	107.2	35.8	-166.5	27	0	0	0	114.7	K1226 H1227	N1107-K1226 HydrophobicContact CB-CB 4.24Å; N1107-K1226 PolarHBondContact ND2-O 3.07Å; N1107-H1227 HydrophobicContact CB-CB 4.29Å
1108	H	35.1	Very low	29.4	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.875	72%	0.718	S	S	*	*			trans	-152.9	146.2	152.2	-108.8	-84.1	0	0	0	109
1109	R	28.3	Very low	29.5	Very low	203 Å²	203	142.8 Å²	142.8	77%	0.766	71%	0.708	S	S	*	*			trans	-89.9	151.3	-177.5	-72.5	177.4	171.9	162.5	-2.7	112.6
1110	F	31.4	Very low	29.7	Very low	212 Å²	212	147.4 Å²	147.4	93%	0.93	71%	0.71	S	S	*	*			trans	-137.5	144.1	142.9	-101	-83.8	0	0	0	110.9
1111	I	31.3	Very low	29.4	Very low	127 Å²	127	149 Å²	149	65%	0.651	71%	0.712	S	S	*	*			trans	-147	132.7	-173.9	-74.5	172.8	0	0	0	105.8
1112	P	34	Very low	29.5	Very low	108 Å²	108	150.8 Å²	150.8	70%	0.701	71%	0.711	S	S	*	*				-159	132.1	111	36.5	-14.3	0	0	0	120.1
1113	R	31.7	Very low	29.7	Very low	210 Å²	210	153 Å²	153	79%	0.792	71%	0.712	S	S	*	*				92.8	130	116.9	-80.2	-180	169.4	179.9	-1.4	125.1
1114	K	28.7	Very low	30	Very low	162 Å²	162	155.9 Å²	155.9	70%	0.704	72%	0.716	S	S	*	*			trans	82.5	146.3	133	-71.7	-179.5	159.5	-160.5	0	119
1115	L	28.4	Very low	30	Very low	108 Å²	108	157.5 Å²	157.5	57%	0.565	73%	0.725	S	S	*	*			cis	-166.8	166.8	-2.4	-122.3	167	0	0	0	113.3
1116	F	29.5	Very low	30	Very low	156 Å²	156	161.6 Å²	161.6	68%	0.684	74%	0.741	S	S	*	*			trans	66.3	149.2	163.3	-66.2	-62.2	0	0	0	118.2
1117	Y	32.2	Very low	30	Very low	202 Å²	202	164.1 Å²	164.1	79%	0.792	75%	0.75	S	S	*	*			cis	-131.1	149.2	7	-117.5	-77.9	0	0	0	111.6
1118	D	24.8	Very low	29.9	Very low	148 Å²	148	167.8 Å²	167.8	79%	0.791	77%	0.765	S	S	*	*			trans	-156.9	136.7	167.2	-163.9	-1.5	0	0	0	109.9
1119	T	29	Very low	29.7	Very low	111 Å²	111	165.5 Å²	165.5	68%	0.681	75%	0.754	S	S	*	*			trans	165.6	118.1	164.2	19.7	0	0	0	0	112.3
1120	Y	29	Very low	29.9	Very low	214 Å²	214	162.1 Å²	162.1	84%	0.839	75%	0.747	S	S	*	*				174.1	110.8	116.8	-116.3	-88.9	0	0	0	111.9
1121	N	27.8	Very low	30	Very low	159 Å²	159	158.8 Å²	158.8	85%	0.85	73%	0.734	S	S	*	*			trans	-173.5	97.7	152.7	-112.1	-29.8	0	0	0	112.2
1122	H	29.6	Very low	30	Very low	185 Å²	185	160 Å²	160	86%	0.856	74%	0.737	S	S	*	*			trans	172.5	157.2	142.7	-103.9	-72.8	0	0	0	111.3
1123	R	30.9	Very low	30	Very low	213 Å²	213	161.2 Å²	161.2	80%	0.804	74%	0.738	S	S	*	*			trans	108	135.5	175.7	-61.5	-166.8	107.4	148	7.4	114.2
1124	E	31.9	Very low	29.9	Very low	148 Å²	148	159.5 Å²	159.5	69%	0.692	74%	0.736	S	S	*	*			cis	-151	170	-18.7	-105.6	-171.3	-136.2	0	0	108.8
1125	N	26.3	Very low	30.1	Very low	155 Å²	155	159.4 Å²	159.4	83%	0.829	74%	0.743	S	S	*	*			trans	-69.2	149.4	168.7	-67.5	-58.6	0	0	0	111.2
1126	M	29.5	Very low	30.1	Very low	163 Å²	163	161 Å²	161	80%	0.803	75%	0.752	S	S	*	*			trans	-172.8	143.4	137.9	-104	-59.8	168.3	0	0	113
1127	R	30.7	Very low	30.2	Very low	199 Å²	199	161.2 Å²	161.2	75%	0.751	76%	0.76	S	S	*	*			trans	63.7	95.2	156.9	-63.4	175.8	-175.8	-174.2	-1.1	120.1
1128	Q	27.4	Very low	29.9	Very low	152 Å²	152	162.8 Å²	162.8	71%	0.71	77%	0.765	S	S	*	*				30.7	134.4	107.6	-49.9	158.2	-59.7	0	0	117.2
1129	H	32.2	Very low	30.2	Very low	140 Å²	140	160.8 Å²	160.8	65%	0.648	76%	0.762	S	S	*	*				-165.8	158.7	63.4	-105.9	-87.1	0	0	0	115.5
1130	H	32.7	Very low	30.1	Very low	132 Å²	132	160.8 Å²	160.8	61%	0.611	77%	0.767	S	S	*	*			trans	64.1	100.7	149.9	-67.4	-50.2	0	0	0	123.7
1131	H	33.3	Very low	30	Very low	143 Å²	143	158.3 Å²	158.3	66%	0.662	77%	0.767	S	S	*	*				87.1	128	110.8	-72.9	-22.7	0	0	0	123
1132	H	30.3	Very low	29.8	Very low	151 Å²	151	161.4 Å²	161.4	70%	0.699	77%	0.767	S	S	*	*			trans	46.9	144.6	130.8	-69	-73.6	0	0	0	121.8
1133	D	34.2	Very low	29.9	Very low	135 Å²	135	158.7 Å²	158.7	72%	0.722	76%	0.763	S	S	*	*			cis	-145.8	171.8	14.2	-138.2	-18.2	0	0	0	116.2
1134	K	29.8	Very low	29.7	Very low	174 Å²	174	153.9 Å²	153.9	76%	0.757	76%	0.757	S	S	*	*			trans	-74.7	146.7	170	-60.6	165.5	-178.3	166.7	0	110.5
1135	N	33	Very low	29.6	Very low	160 Å²	160	153 Å²	153	86%	0.856	76%	0.763	S	S	*	*				-165	154.7	118.4	-105.5	-46.2	0	0	0	113.7
1136	N	28.5	Very low	29.7	Very low	140 Å²	140	152.7 Å²	152.7	75%	0.749	76%	0.76	S	S	*	*			trans	-78.8	148.5	169	-55.6	-72.2	0	0	0	109.8
1137	N	31.7	Very low	29.7	Very low	161 Å²	161	150.2 Å²	150.2	86%	0.861	76%	0.756	S	S	*	*				-165.7	165.7	121.6	-107.3	-40	0	0	0	115.1
1138	R	26.6	Very low	29.6	Very low	236 Å²	236	145.6 Å²	145.6	89%	0.891	75%	0.75	S	S	*	*			trans	-76.5	133.9	-177.3	-62.7	160.5	163.2	167	-9.2	113
1139	S	31	Very low	29.5	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	76%	0.755	S	S	*	*			trans	-164.2	121.7	134.5	45.3	0	0	0	0	107.7
1140	S	25	Very low	29.3	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	76%	0.759	S	S	*	*				64.5	71.7	52.9	84.2	0	0	0	0	113.9
1141	L	27.7	Very low	29	Very low	163 Å²	163	153.7 Å²	153.7	85%	0.853	77%	0.768	S	S	*	*			trans	-117.3	115.7	151.5	-125.7	85.7	0	0	0	109.4
1142	R	24.1	Very low	28.6	Very low	224 Å²	224	156.9 Å²	156.9	85%	0.845	78%	0.78	S	S	*	*			trans	-83.5	135.3	158.4	-78.2	177.8	173.8	163.1	-3.6	107.3	T1144	R1142-T1144 HydrophobicContact CB-CG2 4.34Å
1143	V	31.6	Very low	28.4	Very low	128 Å²	128	155.2 Å²	155.2	78%	0.776	78%	0.78	S	S	*	*			trans	-115	95.9	153.2	-178.9	0	0	0	0	107.2
1144	T	25.4	Very low	28	Very low	111 Å²	111	153.3 Å²	153.3	68%	0.681	78%	0.778	S	S	*	*			trans	-95.7	115.1	176.7	42.8	0	0	0	0	110.4	R1142	R1142-T1144 HydrophobicContact CB-CG2 4.34Å
1145	T	30.5	Very low	27.9	Very low	131 Å²	131	155.4 Å²	155.4	80%	0.804	78%	0.782	S	S	*	*			trans	-146.7	85.5	161.7	39.5	0	0	0	0	111.7
1146	L	28	Very low	27.6	Very low	148 Å²	148	153.4 Å²	153.4	78%	0.775	77%	0.771	S	S	*	*			trans	-66.8	155	140.8	-98.6	154	0	0	0	107.8	T1148	L1146-T1148 HydrophobicContact CD2-CG2 4.15Å
1147	P	30	Very low	27.7	Very low	111 Å²	111	153 Å²	153	72%	0.721	77%	0.769	S	S	*	*				-152.8	135.7	67.8	38.2	-16.3	0	0	0	119
1148	T	28.4	Very low	27.5	Very low	101 Å²	101	151.3 Å²	151.3	62%	0.62	76%	0.76	S	S	*	*				32.9	148.6	129	73.6	0	0	0	0	124.5	L1146	L1146-T1148 HydrophobicContact CD2-CG2 4.15Å
1149	R	25.7	Very low	27.7	Very low	215 Å²	215	146.2 Å²	146.2	81%	0.811	75%	0.751	S	S	*	*			trans	99.8	155.9	135.9	-91.1	173.2	-178.9	-173.5	1	120.2
1150	F	27.6	Very low	27.7	Very low	166 Å²	166	146.9 Å²	146.9	73%	0.728	75%	0.746	S	S	*	*			trans	78.4	133.6	175.9	-53.4	-69.3	0	0	0	115.7
1151	R	27	Very low	28.1	Very low	213 Å²	213	147.9 Å²	147.9	80%	0.804	74%	0.743	S	S	*	*			cis	-153.5	150.6	-9.7	-146.6	164.6	-170.1	162.8	-1.2	111.5	V1153	R1151-V1153 PolarHBondContact O-N 2.55Å
1152	K	24.7	Very low	28.3	Very low	210 Å²	210	146.2 Å²	146.2	91%	0.913	74%	0.735	S	S	*	*			trans	-64.4	123.4	165.8	-153.1	175.4	-170.3	177.5	0	108.1
1153	V	26.7	Very low	28.5	Very low	116 Å²	116	144.9 Å²	144.9	70%	0.703	74%	0.735	S	S	*	*			trans	-111.3	111.7	166.3	176.4	0	0	0	0	107.3	R1151 Y1155	R1151-V1153 PolarHBondContact O-N 2.55Å; V1153-Y1155 HydrophobicContact CG1-CD2 4.23Å; V1153-Y1155 HydrophobicContact CG1-CE2 4.5Å
1154	S	24.5	Very low	28.5	Very low	96 Å²	96	141.7 Å²	141.7	67%	0.671	73%	0.728	S	S	*	*			trans	-82.1	125.8	163.5	178.6	0	0	0	0	107.7	N1156	S1154-N1156 PolarHBondContact O-N 2.85Å
1155	Y	29.1	Very low	28.6	Very low	217 Å²	217	143.8 Å²	143.8	85%	0.851	74%	0.735	S	S	*	*			trans	-91.3	86.2	157.2	-107.3	-80.3	0	0	0	108.3	V1153	V1153-Y1155 HydrophobicContact CG1-CD2 4.23Å; V1153-Y1155 HydrophobicContact CG1-CE2 4.5Å
1156	N	24.9	Very low	28.7	Very low	118 Å²	118	143 Å²	143	63%	0.631	73%	0.73	S	S	*	*			trans	-111.8	116.1	156.9	-178.2	12.5	0	0	0	106.4	S1154	S1154-N1156 PolarHBondContact O-N 2.85Å
1157	N	31.2	Very low	28.7	Very low	131 Å²	131	141.3 Å²	141.3	70%	0.701	73%	0.726	S	S	*	*			trans	-143.9	93.5	174.3	-156.1	21.8	0	0	0	110.5
1158	N	27.3	Very low	28.6	Very low	126 Å²	126	141.6 Å²	141.6	67%	0.674	73%	0.726	S	S	*	*			trans	-62.4	139.2	168.9	-72.8	-37	0	0	0	110.7
1159	N	32.1	Very low	28.7	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	73%	0.732	S	S	*	*			trans	-154.7	107.9	140.8	-92.8	-50.3	0	0	0	106.5
1160	N	31.2	Very low	28.8	Very low	119 Å²	119	139.3 Å²	139.3	64%	0.636	73%	0.731	S	S	*	*				68.5	110.9	92.7	-69.8	-21.5	0	0	0	110.7
1161	N	32	Very low	28.9	Very low	131 Å²	131	136.4 Å²	136.4	70%	0.701	73%	0.731	S	S	*	*			cis	-161.6	164.6	35.2	-73.8	-65.6	0	0	0	113.6
1162	N	31.8	Very low	29	Very low	129 Å²	129	131.1 Å²	131.1	69%	0.69	73%	0.727	S	S	*	*			trans	67.2	148	152.5	-67.9	-34.6	0	0	0	118.8
1163	K	28.5	Very low	29.1	Very low	196 Å²	196	124.4 Å²	124.4	85%	0.852	71%	0.706	S	S	*	*			cis	-168	150.5	-26.5	-124.4	175.9	-169.8	174.3	0	108.5
1164	G	31.3	Very low	29.3	Very low	61 Å²	61	124.9 Å²	124.9	63%	0.629	70%	0.702	S	S	*	*			trans	98.3	129.3	-179.8	0	0	0	0	0	111.4
1165	N	28.9	Very low	29.5	Very low	155 Å²	155	124 Å²	124	83%	0.829	69%	0.689	S	S	*	*			cis	74.3	130.7	49.1	-60.2	9.1	0	0	0	110.8
1166	T	30.9	Very low	29.8	Very low	115 Å²	115	118.4 Å²	118.4	71%	0.706	68%	0.679	S	S	*	*			cis	-159.3	154	16.1	-11.1	0	0	0	0	112.8
1167	T	29.6	Very low	30	Very low	111 Å²	111	118.2 Å²	118.2	68%	0.681	68%	0.679	S	S	*	*			trans	27.5	110.8	146	50.4	0	0	0	0	119.6
1168	T	26.7	Very low	29.8	Very low	118 Å²	118	117 Å²	117	72%	0.724	67%	0.67	S	S	*	*				71.7	146.1	77.8	62.2	0	0	0	0	117
1169	T	30.1	Very low	29.8	Very low	122 Å²	122	113.9 Å²	113.9	75%	0.748	66%	0.661	S	S	*	*			trans	77.4	148.1	175.3	75.8	0	0	0	0	116.5
1170	N	28.8	Very low	29.5	Very low	146 Å²	146	110.9 Å²	110.9	78%	0.781	65%	0.65	S	S	*	*			cis	-164.4	163.3	-28.7	-104.6	-7.8	0	0	0	110.7
1171	S	28.9	Very low	29.5	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	66%	0.663	S	S	*	*			trans	59	111.6	149.3	57.3	0	0	0	0	124.5
1172	S	29	Very low	29.3	Very low	103 Å²	103	113.9 Å²	113.9	72%	0.72	65%	0.654	S	S	*	*				72.6	115.7	121.9	68.8	0	0	0	0	126.8
1173	S	28.5	Very low	29.2	Very low	69 Å²	69	117.7 Å²	117.7	48%	0.483	67%	0.665	S	S	.	*				91.3	100	111.3	73.2	0	0	0	0	128.5	N800	N800-S1173 PolarHBondContact O-N 3.44Å
1174	M	29.1	Very low	29	Very low	125 Å²	125	118.5 Å²	118.5	62%	0.616	67%	0.669	S	S	*	*				-160.6	174.7	122.2	-69.4	-144.2	176.8	0	0	107.6	N800 L801	N800-M1174 CarbonylContact C-O 3.6Å; N800-M1174 VanDerWaalsContact C-O 3.29Å; N800-M1174 WeakPolarHBondContact CA-O 3.48Å; N800-M1174 VanDerWaalsContact CB-C 3.4Å; N800-M1174 WeakPolarHBondContact CB-O 3.44Å; N800-M1174 VanDerWaalsContact ND2-C 3.35Å; N800-M1174 VanDerWaalsContact ND2-CA 3.26Å; N800-M1174 WeakPolarHBondContact ND2-CA 3.37Å; N800-M1174 PolarHBondContact OD1-O 3.22Å; L801-M1174 VanDerWaalsContact CA-O 3.25Å; L801-M1174 WeakPolarHBondContact CA-O 3.21Å; L801-M1174 WeakPolarHBondContact CB-O 3.49Å; L801-M1174 HydrophobicContact CD1-CB 3.73Å; L801-M1174 WeakPolarHBondContact CD1-O 3.45Å; L801-M1174 WeakPolarHBondContact CG-O 3.08Å; L801-M1174 PolarHBondContact N-O 3.4Å
1175	I	30.1	Very low	29	Very low	77 Å²	77	120.6 Å²	120.6	40%	0.395	68%	0.68	S	S	.	*			cis	81.4	136.4	-0.9	-102.7	166.4	0	0	0	121.2	Y799 N800	Y799-I1175 HydrophobicContact CD1-CD1 3.63Å; Y799-I1175 HydrophobicContact CD2-CD1 3.62Å; Y799-I1175 HydrophobicContact CE1-CD1 3.31Å; Y799-I1175 HydrophobicContact CE2-CD1 3.33Å; Y799-I1175 HydrophobicContact CG-CD1 3.76Å; N800-I1175 WeakPolarHBondContact OD1-CB 3.4Å; N800-I1175 WeakPolarHBondContact OD1-CD1 3.34Å; N800-I1175 WeakPolarHBondContact OD1-CG1 3.49Å; N800-I1175 PolarHBondContact OD1-N 2.84Å
1176	P	34.3	Very low	28.8	Very low	100 Å²	100	118.1 Å²	118.1	65%	0.649	68%	0.675	S	S	*	*			cis	-125.7	-178.7	-3.5	29.6	-7.8	0	0	0	117.1
1177	N	29.5	Very low	28.6	Very low	115 Å²	115	120.6 Å²	120.6	62%	0.615	68%	0.678	S	S	*	*			trans	-7.9	145.4	154	-47.8	-24.3	0	0	0	119
1178	M	27.6	Very low	28.5	Very low	106 Å²	106	122.4 Å²	122.4	52%	0.522	68%	0.679	S	S	.	*				-173.7	125	104.4	-102.1	167.8	172.7	0	0	116.5	F1036 N1037 S1038	F1036-M1178 HydrophobicContact CB-CE 4.4Å; F1036-M1178 HydrophobicContact CD1-CE 3.52Å; F1036-M1178 HydrophobicContact CE1-CE 4.03Å; F1036-M1178 HydrophobicContact CG-CE 4.1Å; N1037-M1178 WeakPolarHBondContact O-CE 3.48Å; S1038-M1178 PolarHBondContact OG-SD 3.08Å
1179	A	27.6	Very low	28.5	Very low	59 Å²	59	122.5 Å²	122.5	49%	0.488	68%	0.679	S	S	.	*			trans	29.5	144.1	135.7	0	0	0	0	0	124.8	I1039	I1039-A1179 HydrophobicContact CG1-CB 3.8Å
1180	S	26	Very low	28.5	Very low	67 Å²	67	123.6 Å²	123.6	47%	0.469	69%	0.685	S	S	.	*			trans	89.7	117.3	148.8	-41.5	0	0	0	0	119.6
1181	I	30.5	Very low	28.3	Very low	175 Å²	175	127.6 Å²	127.6	90%	0.897	69%	0.69	S	S	*	*				-171.3	144.3	122.3	-98.3	157.7	0	0	0	109.9
1182	R	27.7	Very low	28.3	Very low	138 Å²	138	127.1 Å²	127.1	52%	0.521	69%	0.686	S	S	.	*			trans	-82.3	152.9	177.3	-59	164.7	166.3	-161.9	-12	111.7	S1042	S1042-R1182 VanDerWaalsContact OG-CZ 3.29Å; S1042-R1182 PolarHBondContact OG-NE 3.34Å; S1042-R1182 PolarHBondContact OG-NH2 3.23Å
1183	K	29.5	Very low	28.2	Very low	209 Å²	209	128.4 Å²	128.4	91%	0.909	69%	0.685	S	S	*	*			trans	-161.7	143.7	135.4	-119.1	169	-175.1	177.1	0	114.7
1184	F	25.4	Very low	28.1	Very low	214 Å²	214	135 Å²	135	94%	0.939	70%	0.701	S	S	*	*			trans	-67.2	140.9	157.8	-87.9	-121.7	0	0	0	109.7
1185	A	29.4	Very low	28.1	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	72%	0.717	S	S	*	*			trans	-160.6	152.1	146.6	0	0	0	0	0	109.5
1186	S	25.4	Very low	27.8	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	73%	0.732	S	S	*	*			trans	-113.7	171.1	173.1	57.7	0	0	0	0	110.6
1187	Q	26.7	Very low	27.5	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	74%	0.742	S	S	*	*			trans	77.2	167.1	168.1	-51	177	-18	0	0	118.2
1188	H	28.2	Very low	27.3	Very low	150 Å²	150	142.7 Å²	142.7	69%	0.694	75%	0.75	S	S	*	*			trans	74.1	80.8	163.9	-71.6	-67.7	0	0	0	121.5
1189	T	25.4	Very low	27.3	Very low	119 Å²	119	142.6 Å²	142.6	73%	0.73	76%	0.759	S	S	*	*				50.2	110	118.3	54.6	0	0	0	0	119.9
1190	V	30.5	Very low	27.2	Very low	145 Å²	145	146 Å²	146	88%	0.879	77%	0.769	S	S	*	*			trans	-116.5	136	143.7	178.9	0	0	0	0	108.3
1191	R	24.1	Very low	27.2	Very low	231 Å²	231	152.8 Å²	152.8	87%	0.872	79%	0.785	S	S	*	*			trans	-137.7	100.9	-172.6	-177	-172.8	-174.5	-178.3	3.4	110.7
1192	S	29.3	Very low	27.1	Very low	94 Å²	94	149.5 Å²	149.5	66%	0.657	77%	0.769	S	S	*	*			trans	-150.9	94	171	52.1	0	0	0	0	108.3
1193	N	27.8	Very low	27.1	Very low	130 Å²	130	147.4 Å²	147.4	70%	0.695	78%	0.775	S	S	*	*				66.8	86.7	97.6	-64.3	-6.3	0	0	0	111.1
1194	Y	25.9	Very low	27	Very low	207 Å²	207	144.3 Å²	144.3	81%	0.812	77%	0.769	S	S	*	*				57	107.7	90.7	-82.1	-76.7	0	0	0	113.7
1195	Y	28.3	Very low	27.3	Very low	245 Å²	245	141 Å²	141	96%	0.961	77%	0.767	S	S	*	*				-152.5	142.7	121.7	-100	-68.5	0	0	0	109.8
1196	S	24	Very low	27.3	Very low	101 Å²	101	144.3 Å²	144.3	71%	0.706	76%	0.764	S	S	*	*			trans	-129.7	133.8	-171.4	55.1	0	0	0	0	111.3
1197	S	28.6	Very low	27.5	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	77%	0.766	S	S	*	*			trans	-159.5	147.1	167.7	52.7	0	0	0	0	110.6
1198	S	26.1	Very low	27.5	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	76%	0.764	S	S	*	*			trans	-127.5	164.8	-150.8	-45.8	0	0	0	0	115
1199	S	26.3	Very low	27.5	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	77%	0.768	S	S	*	*			trans	63.6	129	154.9	69.7	0	0	0	0	120.3
1200	L	25.2	Very low	27.5	Very low	130 Å²	130	146 Å²	146	68%	0.681	77%	0.77	S	S	*	*				171.6	122.9	107.7	-93.4	166.1	0	0	0	110.9
1201	Y	26.4	Very low	27.4	Very low	209 Å²	209	149.1 Å²	149.1	82%	0.82	77%	0.772	S	S	*	*			trans	-137.7	163.8	148.4	-107.7	-82.9	0	0	0	109.8
1202	L	29.6	Very low	27.6	Very low	107 Å²	107	144.7 Å²	144.7	56%	0.56	76%	0.763	S	S	*	*			trans	-120.1	123.6	-179.1	-121.9	73.5	0	0	0	109.2	K777 N1204	K777-L1202 HydrophobicContact CD-CD1 4.32Å; L1202-N1204 PolarHBondContact O-N 2.87Å
1203	S	26.7	Very low	27.5	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	76%	0.757	S	S	*	*			trans	-59.7	130.2	165.3	44.6	0	0	0	0	110.8
1204	N	27.3	Very low	27.5	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	76%	0.763	S	S	*	*			trans	-155.4	78.3	-179.4	-153	17.6	0	0	0	112	L1202	L1202-N1204 PolarHBondContact O-N 2.87Å
1205	T	31.1	Very low	27.9	Very low	145 Å²	145	144.9 Å²	144.9	89%	0.89	76%	0.757	S	S	*	*			trans	-127.7	106.2	174.7	38.7	0	0	0	0	110.6
1206	Q	30.1	Very low	28	Very low	173 Å²	173	140.6 Å²	140.6	81%	0.808	75%	0.75	S	S	*	*			trans	-107.4	129.8	170.8	-78.8	-172.6	-27.4	0	0	110.4
1207	S	29.8	Very low	28.3	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	76%	0.755	S	S	*	*			trans	64.6	152.2	162.5	76.8	0	0	0	0	116.6
1208	L	26.4	Very low	28.4	Very low	143 Å²	143	148.1 Å²	148.1	75%	0.749	76%	0.757	S	S	*	*			cis	-115.3	172.9	-5.7	-90.9	98.3	0	0	0	108.4
1209	D	28.3	Very low	28.6	Very low	143 Å²	143	147.8 Å²	147.8	77%	0.765	76%	0.755	S	S	*	*			cis	-153.8	168.3	32.3	-138.7	-35.4	0	0	0	115.5
1210	K	26.4	Very low	28.6	Very low	181 Å²	181	150.6 Å²	150.6	79%	0.787	76%	0.76	S	S	*	*			trans	-101.7	120.4	170.9	-73.4	175.4	174.3	175.4	0	110.3
1211	F	27.8	Very low	28.8	Very low	210 Å²	210	152.9 Å²	152.9	92%	0.921	77%	0.772	S	S	*	*			trans	-150.7	151.8	136	-114.6	-78.3	0	0	0	111
1212	M	28.4	Very low	29	Very low	137 Å²	137	154.2 Å²	154.2	68%	0.675	78%	0.776	S	S	*	*			trans	-136.2	133.6	-156.2	-93.1	-79.3	-78.5	0	0	115.3
1213	N	28	Very low	29.3	Very low	99 Å²	99	155.1 Å²	155.1	53%	0.529	79%	0.788	S	S	.	*			trans	22.7	120.1	143	-70.3	16.4	0	0	0	121.2	K854	K854-N1213 PolarHBondContact NZ-OD1 3.47Å
1214	K	27.8	Very low	29.5	Very low	188 Å²	188	154.1 Å²	154.1	82%	0.817	79%	0.792	S	S	*	*			trans	-180	129.8	137.9	-111.6	-177.4	173.7	-161.7	0	105.8
1215	H	32.6	Very low	29.7	Very low	149 Å²	149	152.6 Å²	152.6	69%	0.69	79%	0.792	S	S	*	*			cis	-153	173.6	29.4	-95.8	-101.1	0	0	0	107.6
1216	L	31.1	Very low	29.8	Very low	155 Å²	155	152.6 Å²	152.6	81%	0.812	78%	0.78	S	S	*	*			cis	-160	156.4	-25.9	-167.6	78.5	0	0	0	106.7
1217	E	29.9	Very low	30	Very low	176 Å²	176	149.9 Å²	149.9	82%	0.822	77%	0.767	S	S	*	*			trans	-87.6	154.2	178	-60.8	171.4	105.4	0	0	114.3
1218	K	31.5	Very low	30.2	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	75%	0.747	S	S	*	*			trans	170.4	151.6	135.9	-95.7	166.5	-178	-177.5	0	110.2
1219	S	29.6	Very low	30.6	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	73%	0.727	S	S	*	*			cis	-177.6	134.4	-32.7	46	0	0	0	0	107.3
1220	I	26.6	Very low	30.9	Very low	163 Å²	163	141.9 Å²	141.9	84%	0.836	71%	0.713	S	S	*	*			trans	-81.7	147	-173.8	-62.7	161	0	0	0	112.1
1221	L	30.3	Very low	31.3	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	71%	0.707	S	S	*	*			trans	-167.9	176.6	143.7	-102.4	158.5	0	0	0	112.7
1222	R	30.4	Very low	31.5	Very low	238 Å²	238	136.3 Å²	136.3	90%	0.898	70%	0.7	S	S	*	*			trans	-129.1	-179	-153.9	-104.7	-167.9	168	175	-4	115.2
1223	P	36.2	Very low	31.8	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	70%	0.696	S	S	*	*			trans	-121.8	-176.5	-139.8	46.2	-38	0	0	0	119.3
1224	G	29.4	Very low	32.1	Very low	71 Å²	71	136 Å²	136	73%	0.732	71%	0.708	S	S	*	*			trans	169.6	107.2	156.7	0	0	0	0	0	123.5
1225	S	32.9	Very low	32.5	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	70%	0.699	S	S	*	*			trans	84.3	121.1	135.6	70	0	0	0	0	128.5
1226	K	32.7	Very low	32.8	Very low	146 Å²	146	130.4 Å²	130.4	64%	0.635	70%	0.699	S	S	*	*			trans	78.6	156.3	150.2	-58.1	-173.3	170.4	177.7	0	123.5	N1107	N1107-K1226 HydrophobicContact CB-CB 4.24Å; N1107-K1226 PolarHBondContact ND2-O 3.07Å
1227	H	34.6	Very low	33.1	Very low	116 Å²	116	129.4 Å²	129.4	54%	0.537	70%	0.695	S	S	.	*			cis	-178.5	-175.8	-25.5	-83.4	-24.7	0	0	0	114.3	T1105 R1106 N1107	T1105-H1227 WeakPolarHBondContact O-CB 3.25Å; T1105-H1227 PolarHBondContact O-CD2 3.2Å; T1105-H1227 VanDerWaalsContact O-CD2 3.29Å; R1106-H1227 WeakPolarHBondContact CG-O 3.48Å; R1106-H1227 PolarHBondContact NE-O 2.84Å; N1107-H1227 HydrophobicContact CB-CB 4.29Å
1228	K	34.4	Very low	33.4	Very low	73 Å²	73	128 Å²	128	32%	0.317	69%	0.692	S	S	.	*			trans	59.5	153	176.8	-121.7	-140.1	-151.2	-120.4	0	118.1	T1105 R1106 D1230	T1105-K1228 VanDerWaalsContact CA-CG 3.46Å; T1105-K1228 HydrophobicContact CG2-CD 4.26Å; T1105-K1228 HydrophobicContact CG2-CG 3.7Å; R1106-K1228 HydrophobicContact CB-CB 3.27Å; R1106-K1228 PolarHBondContact NH2-O 3.4Å; R1106-K1228 PolarHBondContact NE-O 3.34Å; R1106-K1228 HydrophobicContact CG-CG 4.19Å; R1106-K1228 HydrophobicContact CG-CD 4.42Å; R1106-K1228 HydrophobicContact CG-CB 3.26Å; R1106-K1228 HydrophobicContact CB-CG 3.7Å; R1106-K1228 HydrophobicContact CB-CD 3.91Å; K1228-D1230 WeakPolarHBondContact CD-OD1 3.41Å; K1228-D1230 WeakPolarHBondContact CD-OD2 3.35Å; K1228-D1230 WeakPolarHBondContact CE-OD2 3.46Å; K1228-D1230 IonicContact NZ-OD1 2.76Å; K1228-D1230 PolarHBondContact NZ-OD1 3.41Å; K1228-D1230 IonicContact NZ-OD2 2.66Å; K1228-D1230 PolarHBondContact NZ-OD2 3.11Å
1229	L	33.9	Very low	33.6	Very low	65 Å²	65	124.2 Å²	124.2	34%	0.34	68%	0.682	S	S	.	*			cis	56.7	148	49.5	-42.6	66.3	0	0	0	116.5	L1104 R1106	L1104-L1229 HydrophobicContact CG-CD1 3.79Å; L1104-L1229 HydrophobicContact CB-CD2 4.26Å; L1104-L1229 HydrophobicContact CD2-CD1 3.56Å; L1104-L1229 HydrophobicContact CD1-CD1 3.9Å; L1104-L1229 HydrophobicContact CD1-CD2 4.38Å; L1104-L1229 HydrophobicContact CB-CD1 3.57Å; R1106-L1229 PolarHBondContact NH2-O 3.46Å; R1106-L1229 VanDerWaalsContact NE-O 3.17Å; R1106-L1229 PolarHBondContact NE-O 2.92Å; R1106-L1229 PolarHBondContact NH1-O 3.17Å
1230	D	33.9	Very low	33.7	Very low	87 Å²	87	123.5 Å²	123.5	47%	0.465	67%	0.673	S	S	.	*			cis	-127.3	142.5	12.6	-33.3	-83.2	0	0	0	109.5	K1228	K1228-D1230 WeakPolarHBondContact CD-OD1 3.41Å; K1228-D1230 WeakPolarHBondContact CD-OD2 3.35Å; K1228-D1230 WeakPolarHBondContact CE-OD2 3.46Å; K1228-D1230 IonicContact NZ-OD1 2.76Å; K1228-D1230 PolarHBondContact NZ-OD1 3.41Å; K1228-D1230 IonicContact NZ-OD2 2.66Å; K1228-D1230 PolarHBondContact NZ-OD2 3.11Å
1231	T	34.8	Very low	33.9	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	67%	0.666	S	S	*	*				55.9	154.2	93.7	71.4	0	0	0	0	115.3
1232	E	33.3	Very low	33.9	Very low	166 Å²	166	117.9 Å²	117.9	78%	0.776	65%	0.654	S	S	*	*			cis	-132.5	176.4	6.2	-87.8	91.2	-140.7	0	0	109.5
1233	S	33.5	Very low	34	Very low	83 Å²	83	112 Å²	112	58%	0.58	65%	0.645	S	S	*	*			cis	-171	174.4	-24.4	56.4	0	0	0	0	109.4
1234	D	35.5	Very low	33.9	Very low	147 Å²	147	112 Å²	112	79%	0.786	64%	0.638	S	S	*	*			trans	63.8	155.2	155.1	-51.3	-37.1	0	0	0	120.2
1235	S	36	Very low	34.2	Very low	89 Å²	89	114.4 Å²	114.4	62%	0.622	63%	0.634	S	S	*	*			cis	-166.2	174.5	-20.3	58.3	0	0	0	0	112.6
1236	D	38.4	Very low	34.4	Very low	130 Å²	130	114.7 Å²	114.7	70%	0.695	63%	0.627	S	S	*	*			trans	74.9	122	149.4	-48.3	-31.7	0	0	0	125.4
1237	D	38.3	Very low	34.6	Very low	134 Å²	134	113.8 Å²	113.8	72%	0.717	63%	0.629	S	S	*	*				69.9	122.6	129	-55.8	-6.3	0	0	0	126.1
1238	D	35.7	Very low	34.8	Very low	145 Å²	145	114 Å²	114	78%	0.775	63%	0.634	S	S	*	*			trans	56.7	161	130.8	-60	-11.9	0	0	0	121.6
1239	D	35.9	Very low	34.9	Very low	125 Å²	125	116.5 Å²	116.5	67%	0.668	65%	0.651	S	S	*	*			cis	-154.5	167.8	14.7	-158	13.6	0	0	0	115.9
1240	T	32.1	Very low	34.9	Very low	91 Å²	91	118.9 Å²	118.9	56%	0.558	66%	0.664	S	S	*	*			trans	36.6	112	147.4	50	0	0	0	0	124.6
1241	T	30.1	Very low	34.9	Very low	112 Å²	112	122 Å²	122	69%	0.687	68%	0.675	S	S	*	*				82.8	131.5	118.2	66.9	0	0	0	0	125.6
1242	T	30.2	Very low	34.8	Very low	110 Å²	110	122.9 Å²	122.9	68%	0.675	68%	0.676	S	S	*	*				80.6	124.8	129.3	53.2	0	0	0	0	125
1243	T	31.7	Very low	34.7	Very low	115 Å²	115	122.6 Å²	122.6	71%	0.706	68%	0.68	S	S	*	*				90.5	141.7	128.2	55.2	0	0	0	0	123.6
1244	N	35.1	Very low	34.5	Very low	125 Å²	125	124.4 Å²	124.4	67%	0.668	69%	0.688	S	S	*	*			trans	86	94.2	142.9	-72.2	-18.5	0	0	0	121.1
1245	N	35.1	Very low	34.4	Very low	122 Å²	122	122.6 Å²	122.6	65%	0.652	69%	0.687	S	S	*	*				75.8	113.3	106.8	-71.2	-1	0	0	0	120.8
1246	N	36.8	Very low	34	Very low	119 Å²	119	125.9 Å²	125.9	64%	0.636	69%	0.692	S	S	*	*				113.5	123.7	111	-80.2	-0.7	0	0	0	119.5
1247	N	37.6	Very low	33.7	Very low	127 Å²	127	127.4 Å²	127.4	68%	0.679	70%	0.695	S	S	*	*			trans	75.1	140.4	138.5	-60.9	-8.8	0	0	0	117.4
1248	N	38.5	Very low	33.4	Very low	121 Å²	121	127.4 Å²	127.4	65%	0.647	70%	0.695	S	S	*	*			cis	-147	146.7	15.8	-110.8	-33.1	0	0	0	112.6
1249	N	36.7	Very low	32.9	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	70%	0.699	S	S	*	*				24.7	139.3	120.8	-60.3	-2.6	0	0	0	118.7
1250	N	33.1	Very low	32.5	Very low	116 Å²	116	135.8 Å²	135.8	62%	0.62	73%	0.727	S	S	*	*			cis	-165.3	141.9	7.8	-102.9	-11.6	0	0	0	110
1251	H	34.5	Very low	32.5	Very low	152 Å²	152	138 Å²	138	70%	0.704	74%	0.735	S	S	*	*				162	127.1	109.6	-94.2	-57.9	0	0	0	115
1252	N	33.1	Very low	32.7	Very low	127 Å²	127	139.4 Å²	139.4	68%	0.679	74%	0.738	S	S	*	*			trans	57.7	96.4	139.5	-57.9	14.7	0	0	0	120
1253	N	31.7	Very low	32.8	Very low	160 Å²	160	141 Å²	141	86%	0.856	74%	0.741	S	S	*	*				59.1	78.5	129.4	-56	19.1	0	0	0	117.7
1254	T	29	Very low	32.9	Very low	121 Å²	121	142.5 Å²	142.5	74%	0.742	74%	0.743	S	S	*	*			trans	-71	-171	136.4	49.4	0	0	0	0	110.7
1255	S	32.7	Very low	32.7	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	75%	0.748	S	S	*	*			trans	68.2	96.7	-170.1	73.4	0	0	0	0	115.2
1256	E	28.8	Very low	32.6	Very low	158 Å²	158	145.1 Å²	145.1	74%	0.738	75%	0.754	S	S	*	*			cis	62.7	104.4	13	-156.7	172	-134.5	0	0	112.9
1257	E	30.2	Very low	32.3	Very low	162 Å²	162	146.9 Å²	146.9	76%	0.757	76%	0.763	S	S	*	*				170.7	110.9	120.5	-85.1	-153	115.3	0	0	112.2	N1259	E1257-N1259 PolarHBondContact O-N 3.04Å
1258	N	33.1	Very low	31.9	Very low	134 Å²	134	148.5 Å²	148.5	72%	0.717	77%	0.769	S	S	*	*				46.1	72.3	115.7	-50.7	-31.5	0	0	0	118.3
1259	N	24.2	Very low	31.3	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	78%	0.779	S	S	*	*			trans	-85.5	108.3	142.4	-87.5	-50.5	0	0	0	108.9	E1257	E1257-N1259 PolarHBondContact O-N 3.04Å
1260	F	28.8	Very low	30.8	Very low	283 Å²	283	153.2 Å²	153.2	100%	1.241	79%	0.79	S	S	*	*			trans	-161.7	0	158	-117.9	-66.5	0	0	0	112.1

Retrieved 1,260 of 1,260 residues in 1507.1 ms (Link to these results)

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